@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL4708

@attribute molecule_id {CHEMBL10,CHEMBL101253,CHEMBL103667,CHEMBL105442,CHEMBL1082440,CHEMBL1084546,CHEMBL1090356,CHEMBL1090360,CHEMBL116070,CHEMBL1164180,CHEMBL1164265,CHEMBL1173055,CHEMBL1173655,CHEMBL117697,CHEMBL1190711,CHEMBL119385,CHEMBL1230020,CHEMBL1230122,CHEMBL1236107,CHEMBL1236126,CHEMBL1240703,CHEMBL1241473,CHEMBL1241674,CHEMBL1242373,CHEMBL124660,CHEMBL1270795,CHEMBL127898,CHEMBL1287853,CHEMBL1289926,CHEMBL1336,CHEMBL1375418,CHEMBL1375640,CHEMBL1381197,CHEMBL1419458,CHEMBL1421,CHEMBL1461728,CHEMBL14762,CHEMBL1516890,CHEMBL1614701,CHEMBL1614705,CHEMBL162,CHEMBL1624529,CHEMBL1650533,CHEMBL1650545,CHEMBL1650551,CHEMBL1682341,CHEMBL1682345,CHEMBL1682346,CHEMBL1682357,CHEMBL1682359,CHEMBL1682360,CHEMBL1682540,CHEMBL1682545,CHEMBL1682546,CHEMBL1682552,CHEMBL1682553,CHEMBL1682558,CHEMBL1721885,CHEMBL1727312,CHEMBL17370,CHEMBL1738710,CHEMBL1765781,CHEMBL178737,CHEMBL1789941,CHEMBL180022,CHEMBL1825138,CHEMBL183844,CHEMBL184847,CHEMBL185569,CHEMBL1890036,CHEMBL1908391,CHEMBL1908392,CHEMBL1908393,CHEMBL1908394,CHEMBL1908395,CHEMBL1908396,CHEMBL1908397,CHEMBL191003,CHEMBL1929238,CHEMBL1938680,CHEMBL1958401,CHEMBL196363,CHEMBL1964290,CHEMBL1964307,CHEMBL1964399,CHEMBL1964413,CHEMBL1964444,CHEMBL1964644,CHEMBL1964687,CHEMBL1964692,CHEMBL1964777,CHEMBL1964804,CHEMBL1964937,CHEMBL1965131,CHEMBL1965351,CHEMBL1965423,CHEMBL1965495,CHEMBL1965507,CHEMBL1965570,CHEMBL1965589,CHEMBL1965631,CHEMBL1965660,CHEMBL1965702,CHEMBL1965836,CHEMBL1965845,CHEMBL1965910,CHEMBL1965988,CHEMBL1966035,CHEMBL1966069,CHEMBL1966087,CHEMBL1966204,CHEMBL1966279,CHEMBL1966343,CHEMBL1966425,CHEMBL1966514,CHEMBL1966524,CHEMBL1966628,CHEMBL1966703,CHEMBL1966722,CHEMBL1966808,CHEMBL1966816,CHEMBL1966842,CHEMBL1967094,CHEMBL1967116,CHEMBL1967302,CHEMBL1967531,CHEMBL1967544,CHEMBL1967560,CHEMBL1967564,CHEMBL1967720,CHEMBL1967878,CHEMBL1967887,CHEMBL1968070,CHEMBL1968127,CHEMBL1968151,CHEMBL1968245,CHEMBL1968380,CHEMBL1968406,CHEMBL1968590,CHEMBL1968705,CHEMBL1968791,CHEMBL1968850,CHEMBL1968926,CHEMBL1968930,CHEMBL1969042,CHEMBL1969049,CHEMBL1969102,CHEMBL1969126,CHEMBL1969151,CHEMBL1969190,CHEMBL1969264,CHEMBL1969301,CHEMBL1969372,CHEMBL1969483,CHEMBL1969502,CHEMBL1969506,CHEMBL1969523,CHEMBL1969537,CHEMBL1969561,CHEMBL1969664,CHEMBL1969735,CHEMBL1969755,CHEMBL1969843,CHEMBL1969879,CHEMBL1970006,CHEMBL1970074,CHEMBL1970083,CHEMBL1970104,CHEMBL1970142,CHEMBL1970189,CHEMBL1970203,CHEMBL1970217,CHEMBL1970314,CHEMBL1970317,CHEMBL1970340,CHEMBL1970369,CHEMBL1970522,CHEMBL1970709,CHEMBL1970735,CHEMBL1970806,CHEMBL1970879,CHEMBL1970903,CHEMBL1970913,CHEMBL1971017,CHEMBL1971021,CHEMBL1971029,CHEMBL1971141,CHEMBL1971149,CHEMBL1971172,CHEMBL1971186,CHEMBL1971245,CHEMBL1971430,CHEMBL1971649,CHEMBL1971694,CHEMBL1971801,CHEMBL1971943,CHEMBL1971947,CHEMBL1972119,CHEMBL1972125,CHEMBL1972142,CHEMBL1972152,CHEMBL1972158,CHEMBL1972183,CHEMBL1972221,CHEMBL1972250,CHEMBL1972258,CHEMBL1972276,CHEMBL1972290,CHEMBL1972339,CHEMBL1972346,CHEMBL1972362,CHEMBL1972489,CHEMBL1972568,CHEMBL1972576,CHEMBL1972584,CHEMBL1972659,CHEMBL1972820,CHEMBL1972840,CHEMBL1972849,CHEMBL1972937,CHEMBL1972988,CHEMBL1973098,CHEMBL1973142,CHEMBL1973145,CHEMBL1973211,CHEMBL1973348,CHEMBL1973395,CHEMBL1973483,CHEMBL1973711,CHEMBL1973720,CHEMBL1973808,CHEMBL1973860,CHEMBL1973893,CHEMBL1973937,CHEMBL1973961,CHEMBL1974157,CHEMBL1974254,CHEMBL1974288,CHEMBL1974310,CHEMBL1974328,CHEMBL1974416,CHEMBL1974457,CHEMBL1974664,CHEMBL1974702,CHEMBL1974803,CHEMBL1974870,CHEMBL1974935,CHEMBL1975121,CHEMBL1975128,CHEMBL1975138,CHEMBL1975208,CHEMBL1975233,CHEMBL1975256,CHEMBL1975357,CHEMBL1975418,CHEMBL1975490,CHEMBL1975500,CHEMBL1975534,CHEMBL1975647,CHEMBL1975787,CHEMBL1975900,CHEMBL1976040,CHEMBL1976090,CHEMBL1976093,CHEMBL1976134,CHEMBL1976220,CHEMBL1976240,CHEMBL1976328,CHEMBL1976420,CHEMBL1976455,CHEMBL1976732,CHEMBL1976936,CHEMBL1977041,CHEMBL1977128,CHEMBL1977135,CHEMBL1977148,CHEMBL1977223,CHEMBL1977346,CHEMBL1977374,CHEMBL1977604,CHEMBL1977681,CHEMBL1977713,CHEMBL1977814,CHEMBL1978014,CHEMBL1978099,CHEMBL1978166,CHEMBL1978200,CHEMBL1978267,CHEMBL1978448,CHEMBL1978656,CHEMBL1979057,CHEMBL1979093,CHEMBL1979176,CHEMBL1979252,CHEMBL1979318,CHEMBL1979357,CHEMBL1979516,CHEMBL1979554,CHEMBL1979577,CHEMBL1979718,CHEMBL1979855,CHEMBL1979883,CHEMBL1979933,CHEMBL1979970,CHEMBL1980142,CHEMBL1980144,CHEMBL1980163,CHEMBL1980178,CHEMBL1980253,CHEMBL1980297,CHEMBL1980391,CHEMBL1980435,CHEMBL1980489,CHEMBL1980540,CHEMBL1980562,CHEMBL1980704,CHEMBL1980715,CHEMBL1980802,CHEMBL1980896,CHEMBL1980995,CHEMBL1981045,CHEMBL1981047,CHEMBL1981079,CHEMBL1981410,CHEMBL1981720,CHEMBL1981725,CHEMBL1981782,CHEMBL1982122,CHEMBL1982135,CHEMBL1982167,CHEMBL1982271,CHEMBL1982361,CHEMBL1982383,CHEMBL1982465,CHEMBL1982466,CHEMBL1982476,CHEMBL1982506,CHEMBL1982563,CHEMBL1982610,CHEMBL1982660,CHEMBL1982711,CHEMBL1982753,CHEMBL1982866,CHEMBL1982874,CHEMBL1982880,CHEMBL1982924,CHEMBL1982957,CHEMBL1982980,CHEMBL1982992,CHEMBL1983006,CHEMBL1983025,CHEMBL1983111,CHEMBL1983195,CHEMBL1983268,CHEMBL1983309,CHEMBL1983449,CHEMBL1983534,CHEMBL1983589,CHEMBL1983595,CHEMBL1983923,CHEMBL1983932,CHEMBL1983945,CHEMBL1983963,CHEMBL1984038,CHEMBL1984039,CHEMBL1984044,CHEMBL1984162,CHEMBL1984191,CHEMBL1984206,CHEMBL1984274,CHEMBL1984363,CHEMBL1984367,CHEMBL1984432,CHEMBL1984541,CHEMBL1984548,CHEMBL1984586,CHEMBL1984633,CHEMBL1984700,CHEMBL1984711,CHEMBL1984788,CHEMBL1984842,CHEMBL1985074,CHEMBL1985092,CHEMBL1985095,CHEMBL1985311,CHEMBL1985406,CHEMBL1985566,CHEMBL1985580,CHEMBL1985723,CHEMBL1986139,CHEMBL1986186,CHEMBL1986263,CHEMBL1986328,CHEMBL1986499,CHEMBL1986530,CHEMBL1986597,CHEMBL1986603,CHEMBL1986666,CHEMBL1986781,CHEMBL1986851,CHEMBL1986855,CHEMBL1986869,CHEMBL1986943,CHEMBL1986970,CHEMBL1987007,CHEMBL1987009,CHEMBL1987034,CHEMBL1987054,CHEMBL1987073,CHEMBL1987261,CHEMBL1987359,CHEMBL1987448,CHEMBL1987648,CHEMBL1987679,CHEMBL1987756,CHEMBL1987793,CHEMBL1987910,CHEMBL1987948,CHEMBL1987982,CHEMBL1988075,CHEMBL1988076,CHEMBL1988153,CHEMBL1988163,CHEMBL1988173,CHEMBL1988300,CHEMBL1988370,CHEMBL1988387,CHEMBL1988437,CHEMBL1988537,CHEMBL1988594,CHEMBL1988608,CHEMBL1988717,CHEMBL1988838,CHEMBL1988995,CHEMBL1989029,CHEMBL1989265,CHEMBL1989474,CHEMBL1989518,CHEMBL1989646,CHEMBL1989708,CHEMBL1989805,CHEMBL1989856,CHEMBL1989957,CHEMBL1990162,CHEMBL1990212,CHEMBL1990254,CHEMBL1990288,CHEMBL1990415,CHEMBL1990482,CHEMBL1990496,CHEMBL1990583,CHEMBL1990635,CHEMBL1990821,CHEMBL1990884,CHEMBL1990885,CHEMBL1990904,CHEMBL1990912,CHEMBL1991063,CHEMBL1991078,CHEMBL1991138,CHEMBL1991143,CHEMBL1991180,CHEMBL1991188,CHEMBL1991285,CHEMBL1991356,CHEMBL1991395,CHEMBL1991410,CHEMBL1991429,CHEMBL1991434,CHEMBL1991577,CHEMBL1991640,CHEMBL1991674,CHEMBL1991678,CHEMBL1991725,CHEMBL1991728,CHEMBL1991800,CHEMBL1991846,CHEMBL1992220,CHEMBL1992231,CHEMBL1992242,CHEMBL1992306,CHEMBL1992323,CHEMBL1992342,CHEMBL1992363,CHEMBL1992536,CHEMBL1992555,CHEMBL1992634,CHEMBL1992645,CHEMBL1992732,CHEMBL1992740,CHEMBL1992796,CHEMBL1992922,CHEMBL1992937,CHEMBL1993166,CHEMBL1993243,CHEMBL1993413,CHEMBL1993424,CHEMBL1993548,CHEMBL1993584,CHEMBL1993661,CHEMBL1993722,CHEMBL1993781,CHEMBL1993941,CHEMBL1994040,CHEMBL1994074,CHEMBL1994241,CHEMBL1994321,CHEMBL1994361,CHEMBL1994438,CHEMBL1994526,CHEMBL1994538,CHEMBL1994669,CHEMBL1994693,CHEMBL1994830,CHEMBL1994864,CHEMBL1994938,CHEMBL1995172,CHEMBL1995448,CHEMBL1995592,CHEMBL1995712,CHEMBL1995736,CHEMBL1995740,CHEMBL1995811,CHEMBL1995813,CHEMBL1995832,CHEMBL1995927,CHEMBL1996048,CHEMBL1996066,CHEMBL1996111,CHEMBL1996155,CHEMBL1996208,CHEMBL1996234,CHEMBL1996390,CHEMBL1996500,CHEMBL1996543,CHEMBL1996587,CHEMBL1996649,CHEMBL1996780,CHEMBL1996791,CHEMBL1996817,CHEMBL1996831,CHEMBL1996923,CHEMBL1996931,CHEMBL1996979,CHEMBL1996980,CHEMBL1997023,CHEMBL1997025,CHEMBL1997051,CHEMBL1997129,CHEMBL1997340,CHEMBL1997349,CHEMBL1997503,CHEMBL1997534,CHEMBL1997597,CHEMBL1997617,CHEMBL1997623,CHEMBL1997759,CHEMBL1997764,CHEMBL1997822,CHEMBL1997846,CHEMBL1997872,CHEMBL1997909,CHEMBL1997924,CHEMBL1998112,CHEMBL1998121,CHEMBL1998159,CHEMBL1998193,CHEMBL1998414,CHEMBL1998432,CHEMBL1998435,CHEMBL1998470,CHEMBL1998545,CHEMBL1998551,CHEMBL1998585,CHEMBL1998611,CHEMBL1998829,CHEMBL1998953,CHEMBL1999112,CHEMBL1999126,CHEMBL1999321,CHEMBL1999414,CHEMBL1999428,CHEMBL1999496,CHEMBL1999556,CHEMBL1999590,CHEMBL1999714,CHEMBL1999718,CHEMBL1999749,CHEMBL1999774,CHEMBL1999811,CHEMBL1999918,CHEMBL1999931,CHEMBL2000071,CHEMBL2000078,CHEMBL2000104,CHEMBL2000114,CHEMBL2000271,CHEMBL2000335,CHEMBL2000345,CHEMBL2000354,CHEMBL2000393,CHEMBL2000408,CHEMBL2000429,CHEMBL2000433,CHEMBL2000481,CHEMBL2000508,CHEMBL2000568,CHEMBL2000685,CHEMBL2000801,CHEMBL2000832,CHEMBL2000894,CHEMBL2001224,CHEMBL2001228,CHEMBL2001239,CHEMBL2001257,CHEMBL2001288,CHEMBL2001485,CHEMBL2001547,CHEMBL2001668,CHEMBL2001751,CHEMBL2001920,CHEMBL2001923,CHEMBL2001957,CHEMBL2001998,CHEMBL2002165,CHEMBL2002240,CHEMBL2002322,CHEMBL2002323,CHEMBL2002373,CHEMBL2002407,CHEMBL2002446,CHEMBL2002479,CHEMBL2002553,CHEMBL2002613,CHEMBL2002649,CHEMBL2002682,CHEMBL2002702,CHEMBL2002726,CHEMBL2002992,CHEMBL2003271,CHEMBL2003286,CHEMBL2003341,CHEMBL2003420,CHEMBL2003456,CHEMBL2003482,CHEMBL2003524,CHEMBL2003638,CHEMBL2003657,CHEMBL2003768,CHEMBL2003817,CHEMBL2004072,CHEMBL2004290,CHEMBL2004311,CHEMBL2004355,CHEMBL2004365,CHEMBL2004419,CHEMBL2004438,CHEMBL2004447,CHEMBL2004513,CHEMBL2004544,CHEMBL2004615,CHEMBL2004647,CHEMBL2004692,CHEMBL2004716,CHEMBL2004771,CHEMBL2004871,CHEMBL2004872,CHEMBL2004892,CHEMBL2004934,CHEMBL2005112,CHEMBL2005186,CHEMBL2005216,CHEMBL2005375,CHEMBL2005475,CHEMBL2005482,CHEMBL2005509,CHEMBL2005528,CHEMBL2005548,CHEMBL2005631,CHEMBL2005718,CHEMBL2005792,CHEMBL2005828,CHEMBL2005886,CHEMBL2005899,CHEMBL2005936,CHEMBL2006010,CHEMBL2006156,CHEMBL2006188,CHEMBL2006237,CHEMBL2006263,CHEMBL2006276,CHEMBL2006439,CHEMBL2006450,CHEMBL2006456,CHEMBL2006481,CHEMBL2006493,CHEMBL2006567,CHEMBL2006580,CHEMBL2006581,CHEMBL2006631,CHEMBL2006715,CHEMBL2006778,CHEMBL2006785,CHEMBL2006836,CHEMBL2006933,CHEMBL2007002,CHEMBL2007044,CHEMBL2007064,CHEMBL2007151,CHEMBL2007296,CHEMBL2007372,CHEMBL2007592,CHEMBL2010872,CHEMBL202635,CHEMBL207253,CHEMBL207400,CHEMBL207995,CHEMBL208637,CHEMBL209534,CHEMBL210032,CHEMBL210618,CHEMBL210887,CHEMBL210928,CHEMBL210963,CHEMBL211378,CHEMBL213505,CHEMBL215152,CHEMBL219722,CHEMBL220057,CHEMBL220241,CHEMBL2205426,CHEMBL2205766,CHEMBL221959,CHEMBL223257,CHEMBL223360,CHEMBL223367,CHEMBL223460,CHEMBL225519,CHEMBL226403,CHEMBL226471,CHEMBL230011,CHEMBL2309006,CHEMBL2309609,CHEMBL231209,CHEMBL2312649,CHEMBL2312652,CHEMBL2312654,CHEMBL234085,CHEMBL243088,CHEMBL243298,CHEMBL244378,CHEMBL246970,CHEMBL24828,CHEMBL248757,CHEMBL249282,CHEMBL249697,CHEMBL253969,CHEMBL255863,CHEMBL256835,CHEMBL259084,CHEMBL259850,CHEMBL259922,CHEMBL260092,CHEMBL260135,CHEMBL261849,CHEMBL262433,CHEMBL271381,CHEMBL272453,CHEMBL274064,CHEMBL278041,CHEMBL288441,CHEMBL296468,CHEMBL296586,CHEMBL300138,CHEMBL306380,CHEMBL316264,CHEMBL31965,CHEMBL326282,CHEMBL336961,CHEMBL340384,CHEMBL340921,CHEMBL362558,CHEMBL363648,CHEMBL371206,CHEMBL373598,CHEMBL375284,CHEMBL377300,CHEMBL377383,CHEMBL377408,CHEMBL378627,CHEMBL379218,CHEMBL379835,CHEMBL379975,CHEMBL38380,CHEMBL384304,CHEMBL386051,CHEMBL387971,CHEMBL392642,CHEMBL394619,CHEMBL394790,CHEMBL396523,CHEMBL398951,CHEMBL402846,CHEMBL404367,CHEMBL406845,CHEMBL411903,CHEMBL412142,CHEMBL413779,CHEMBL415049,CHEMBL41783,CHEMBL422897,CHEMBL424872,CHEMBL428690,CHEMBL437747,CHEMBL440084,CHEMBL443962,CHEMBL445813,CHEMBL450786,CHEMBL451964,CHEMBL457871,CHEMBL458997,CHEMBL461876,CHEMBL462120,CHEMBL464552,CHEMBL465465,CHEMBL468280,CHEMBL474432,CHEMBL475251,CHEMBL477772,CHEMBL481491,CHEMBL481968,CHEMBL481969,CHEMBL482767,CHEMBL482967,CHEMBL483158,CHEMBL483321,CHEMBL484390,CHEMBL485556,CHEMBL49120,CHEMBL491473,CHEMBL491758,CHEMBL494089,CHEMBL497151,CHEMBL504950,CHEMBL507936,CHEMBL508928,CHEMBL50894,CHEMBL509032,CHEMBL513846,CHEMBL513909,CHEMBL514499,CHEMBL516312,CHEMBL517647,CHEMBL519697,CHEMBL521851,CHEMBL522892,CHEMBL523823,CHEMBL52387,CHEMBL525191,CHEMBL526133,CHEMBL535,CHEMBL535331,CHEMBL536151,CHEMBL539474,CHEMBL553,CHEMBL554,CHEMBL558752,CHEMBL560813,CHEMBL565612,CHEMBL572878,CHEMBL572881,CHEMBL573339,CHEMBL574738,CHEMBL576982,CHEMBL583144,CHEMBL590109,CHEMBL592030,CHEMBL601719,CHEMBL605003,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_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_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_PN 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.082 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 N.078 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 nN.N.1 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 nSO2OH 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 18,237 1,238 3,241 1,246 12,250 4,258 4,264 4,276 1123,277 18.361,278 18.361,279 18.361,280 18.361,281 18.361,282 15.561,283 4.368,284 10.837,285 18.876,286 14.814,287 14.814,288 14.814,289 14.814,290 14.814,291 10.659,292 2.498,293 5.164,294 15.642,295 3.744,296 2.087,297 1.302,298 0.762,299 0.669,300 0.669,301 4.038,304 1,305 1,306 1,307 587,308 2.646,311 74.848,312 265.59,319 1.451,320 27.251,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 58,332 271,333 4.568,334 4.698,335 6.747,336 4.172,337 3.204,338 4.301,339 2.95,340 11.08,341 3.103,342 4.196,343 3.207,344 6.1,345 3.769,346 2.819,347 3.802,349 8.88,350 2.706,351 3.986,352 2.897,353 5.879,354 3.558,355 2.592,356 3.578,358 8.043,359 2.526,360 3.913,361 2.729,362 5.772,363 3.479,364 2.553,365 3.377,367 7.837,368 2.294,369 3.621,370 2.51,371 5.054,372 3.176,373 2.229,374 3.038,376 6.071,377 2.091,378 3.253,379 2.432,380 4.69,381 2.752,382 1.805,383 2.55,385 4.948,386 1.696,387 2.997,388 1.854,389 4.272,390 2.455,391 1.527,392 2.177,394 3.75,395 1.403,396 2.727,397 1.488,398 3.913,399 2.169,400 1.23,401 1.772,403 3.032,404 1.139,405 2.5,406 1.172,407 3.711,408 2,409 1,410 1.5,412 2.575,413 1,414 2.5,415 1,416 3.456,417 2,418 1,419 1.5,421 2.275,422 1,423 2.5,424 1,425 3.414,426 1.984,427 1,428 1.5,430 2.275,431 0.983,432 2.44,433 1,434 3.414,435 1.892,436 0.945,437 1.382,439 2.192,440 0.886,441 2.277,442 0.826,443 3.247,444 1.716,445 0.792,446 1.169,448 2.136,449 0.73,450 1.137,451 0.62,452 2.605,453 0.725,454 -0.188,455 -0.236,457 -0.422,458 -0.166,459 0.965,460 0.301,461 2.512,462 0.504,463 -0.453,464 -0.594,466 -1.096,467 -0.422,468 13.152,469 0.487,470 0.644,471 0.024,472 40.5,473 1.5,474 23.5,475 0.87,476 17,477 0.63,478 17.941,479 0.664,480 27.048,481 0.629,482 29.792,483 1.103,484 8.054,485 0.298,486 5.06,487 0.187,488 0.085,490 0.367,494 1,496 0.545,497 0.959,498 0.724,499 0.931,500 0.569,501 0.805,502 0.683,503 1.023,504 1.025,505 1.087,506 0.581,507 0.931,508 1.117,509 1.081,510 1.027,511 1.01,512 1.067,513 1.008,514 1.059,515 1.04,516 1.039,517 0.992,518 0.909,519 1.052,520 0.717,521 0.694,522 0.72,523 0.677,524 0.564,525 0.839,526 0.446,527 0.776,528 0.686,529 0.856,530 0.416,531 0.929,532 0.461,533 0.996,534 0.879,535 1.094,536 0.567,537 1.166,538 0.905,539 0.972,540 0.883,541 0.948,542 0.88,543 1.093,544 5,545 0.136,546 3.333,547 1.41,548 1.466,549 1.202,550 0.457,551 0.28,552 0.357,553 0.275,554 8549,555 27336,556 2.12,557 37.2,559 13,561 2,562 1,567 1.706,568 2,569 3.291,570 -0.346,572 1,577 72.336,578 1.682,579 3.339,580 4.125,581 4.665,582 4.758,583 4.758,584 2.75,585 4.236,586 4.72,587 3.463,588 1215.67,589 8.228,590 15393.9,592 1,594 1,595 233.329,596 1.352,597 4.694,598 0.167,599 0.008,600 0.079,601 0.034,602 0.038,603 0.032,604 0.012,605 0.008,606 0.012,607 0.013,608 0.402,609 0.17,610 1,611 0.704,612 132.502,613 0.018,614 -0.04,615 0.116,616 0.009,617 -0.084,618 0.039,619 -0.009,620 -0.086,621 -0.1,622 -0.115,623 0.026,624 -0.044,625 -0.151,626 -0.103,627 -0.141,628 -0.081,629 -0.09,630 -0.096,631 -0.175,632 -0.093,633 -0.202,634 -0.121,635 -0.112,636 -0.148,637 -0.066,638 0.122,639 0.04,640 0.143,641 -0.04,642 0.12,643 0.137,644 0.077,645 0.099,646 0.015,647 0.074,648 0.039,649 0.218,650 -0.104,651 -0.058,652 -0.179,653 0.091,654 -0.209,655 -0.055,656 -0.064,657 -0.005,658 -0.034,659 -0.053,660 -0.071,661 2.25,662 5.338,663 0.852,664 25.295,665 1.009,666 1.113,667 3.69,668 13.619,669 0.73,670 3.434,671 3.761,672 4.043,673 4.304,674 4.575,675 4.718,676 4.875,677 4.99,678 5.165,679 5.231,680 6.08,681 0.699,682 377.47,683 3.434,684 4.977,685 5.832,686 6.711,687 7.588,688 8.477,689 9.365,690 10.26,691 11.154,692 12.053,693 7,701 1,703 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 3,797 1,798 1,809 1,815 1,816 3,843 4,845 1,847 1,849 1,851 27,853 1,873 1,874 2.3,877 1,881 13.5,882 8.126,883 5.889,884 2.38,886 3.419,887 1.461,888 1.04,889 4.763,890 10.831,891 3.773,892 4.404,893 5.025,894 5.633,895 6.205,896 6.579,897 7.074,898 7.513,899 8.009,900 8.403,901 0.857,902 42,903 9.975,905 4.309,906 7.872,907 18.812,909 15.524,911 2.372,912 64.056,915 1,916 176.567,917 167.25,918 50.357,920 22.156,921 14.96,922 19.133,923 148.118,924 198.723,925 65.317,926 7.19,928 113.895,929 81.598,930 57.866,931 17.717,932 153.024,934 176.567,935 198.474,936 37.117,937 19.133,939 191.527,940 22.156,943 39.965,944 124.938,945 33.571,946 19.133,947 191.527,948 72.513,949 167.25,952 195.699,953 28.07,954 120.048,955 16.786,956 70.688,957 176.567,958 87.473,959 167.25,961 0.583,962 0.337,963 0.176,964 0.102,965 21,966 9,967 0.087,968 4,970 1,971 3.869,972 237.009,974 23,975 116.382,979 1,981 17.477,982 7.358,983 3.635,985 70.688,986 20.936,987 8.82,988 3.368,991 5.372,993 16.786,994 431.29,995 42.5,1000 11.6,1005 -1.028,1007 43.407,1008 47.87,1009 0.31,1010 0.615,1011 0.76,1012 0.86,1013 0.877,1014 0.877,1015 4.989,1016 1.23,1017 5.814,1018 3.75,1019 4.443,1020 5.091,1021 2.913,1022 6.624,1023 4.347,1024 6.21,1025 1,1026 7.372,1027 3.032,1028 4.007,1029 4.796,1031 7.529,1032 3.829,1033 7.516,1034 1,1035 9.031,1036 2.575,1037 6.033,1038 7.299,1039 5.027,1040 10.63,1041 5.859,1042 8.859,1043 1,1044 10.75,1045 2.275,1046 6.431,1047 7.837,1049 12.386,1050 6.185,1051 10.233,1052 0.945,1053 12.509,1054 2.275,1055 7.917,1056 9.773,1057 7.185,1058 15.002,1059 7.672,1060 11.63,1061 0.792,1062 14.294,1063 2.192,1064 8.694,1065 10.716,1067 17.109,1068 8.392,1069 13.044,1070 -0.188,1071 16.099,1072 2.136,1073 9.961,1074 12.395,1075 9.348,1076 19.567,1077 9.652,1078 3.204,1079 -0.453,1080 17.918,1081 -0.422,1082 10.922,1083 13.557,1085 21.832,1086 10.569,1087 2.819,1088 11.08,1089 19.749,1090 -1.096,1091 12.102,1092 15.108,1093 11.511,1094 24.24,1095 11.733,1096 2.592,1097 8.88,1098 21.589,1099 4.301,1100 13.154,1101 16.393,1103 26.576,1104 12.749,1105 2.553,1106 8.043,1107 23.437,1108 3.802,1109 14.303,1110 17.883,1111 13.675,1112 28.972,1113 13.876,1114 2.229,1115 7.837,1116 25.291,1117 3.578,1118 15.401,1119 19.238,1121 31.342,1122 14.942,1123 1.805,1124 6.071,1125 27.151,1126 3.377,1127 16.542,1128 20.7,1129 15.838,1130 33.738,1131 16.059,1132 1.527,1133 4.948,1134 29.017,1135 3.038,1136 17.665,1137 22.095,1139 36.124,1140 17.151,1141 8183,1142 14750,1143 20.285,1144 31.387,1145 46.121,1146 48.057,1147 46.538,1148 45.542,1149 45.393,1150 63.291,1151 5.9,1152 130.187,1153 43.112,1154 5.267,1155 6.698,1156 6.549,1157 5.207,1158 5.204,1159 7.301,1160 5.9,1161 18.235,1162 5.103,1163 12.043,1164 1.537,1165 1.602,1166 1.551,1167 1.518,1168 1.513,1169 2.11,1170 0.197,1171 4.34,1172 1.437,1173 4.093,1174 4.128,1175 4.34,1176 4.01,1177 8.201,1178 4.007,1179 3.902,1180 3.916,1181 4.036,1182 3.882,1183 7.398,1184 3.847,1185 3.833,1186 3.867,1187 3.785,1188 3.747,1189 5.032,1190 3.748,1191 3.636,1192 3.679,1193 3.708,1194 3.526,1195 4.839,1196 3.494,1197 3.381,1198 3.405,1199 3.463,1200 3.301,1201 4.641,1202 3.239,1203 2.895,1204 2.942,1205 2.853,1206 2.748,1207 4.503,1208 2.755,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.792,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.716,1220 2.715,1221 0.152,1222 0.157,1223 0.225,1224 0.139,1225 0.107,1226 4.568,1227 0.143,1228 4.698,1229 0.098,1230 6.747,1231 0.369,1232 4.172,1233 0.103,1234 3.204,1235 4.301,1236 2.95,1237 11.08,1238 3.103,1239 1.93,1240 1.915,1241 2.012,1242 2.02,1243 1.154,1244 2.022,1245 1.925,1246 1.902,1247 1.992,1248 1.994,1249 1.117,1250 2.009,1251 1.814,1252 1.782,1253 1.921,1254 1.923,1255 0.975,1256 1.928,1257 1.429,1258 1.415,1259 1.552,1260 1.597,1261 0.766,1262 1.633,1263 1.267,1264 1.221,1265 1.409,1266 1.469,1267 0.462,1268 1.481,1269 1.149,1270 1.086,1271 1.259,1272 1.358,1273 0.336,1274 1.335,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.111,1289 5.434,1290 2.398,1291 6.952,1292 4.727,1293 8.551,1294 6.862,1295 10.193,1297 1.649,1299 13.338,1314 30.037,1315 72.336,1316 143.581,1317 177.355,1318 200.574,1319 204.574,1320 204.574,1321 45.154,1322 7.412,1323 58.64,1324 77.85,1325 23,1326 12.577,1327 4.644,1328 3.755,1329 39.954,1330 97,1331 102,1332 0.203,1333 187.143,1334 316.15,1335 448.389,1336 14504,1337 2.3,1338 18.803,1339 0.696,1340 0.568,1341 18.221,1342 15.334,1343 13.114,1344 0.437,1345 0.329,1346 8.367,1347 12.075,1348 8.007,1349 6.652,1350 13.464,1351 9.876,1352 11.896,1353 0.283,1354 0.176,1355 12.132,1356 7.41,1357 10.047,1358 0.179,1359 0.093,1360 10.274,1361 5.186,1362 8.173,1363 0.112,1364 0.046,1365 8.451,1366 3.378,1367 6.78,1368 0.071,1369 0.024,1370 6.866,1371 2.284,1372 0.312,1373 88.885,1374 0.222,1375 25.663,1376 0.579,1377 144,1378 466.33,1379 180.557,1380 455.817,1381 618.46,1382 424,1383 170,1384 436.236,1385 204.305,1386 462.651,1387 666.94,1388 434,1389 5.15}
{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 13,237 1,238 3,243 2,246 11,250 3,258 8,264 1,267 1,272 8,276 911,277 17.361,278 17.361,279 17.361,280 17.361,281 17.361,282 14.555,283 18.364,284 10.512,285 17.698,286 13.875,287 13.875,288 13.875,289 13.875,290 13.875,291 9.836,292 28.435,293 5.06,294 14.462,295 3.826,296 2.106,297 1.23,298 0.6,299 0.5,300 0.45,301 3.972,302 1,305 1,306 1,307 572,308 2.345,312 266.179,316 101.355,319 1.856,320 13.492,322 1,323 0.75,324 1,325 1,326 0.6,328 1,329 1,330 0.76,331 52.333,332 260,333 4.596,334 3.258,335 6.707,336 4.135,337 3.153,338 4.543,339 0.68,340 10.902,341 3.096,342 4.03,343 2.961,344 5.8,345 3.622,346 2.659,347 3.625,348 0.4,349 8.069,350 2.567,351 3.92,352 2.823,353 5.423,354 3.508,355 2.531,356 3.467,358 7.166,359 2.46,360 3.64,361 2.533,362 5.255,363 3.188,364 2.251,365 3.075,367 6.536,368 2.109,369 3.404,370 2.184,371 4.905,372 2.943,373 2.007,374 2.76,376 5.669,377 1.851,378 3.274,379 1.907,380 4.658,381 2.783,382 1.831,383 2.591,385 4.855,386 1.673,387 2.887,388 1.516,389 3.792,390 2.382,391 1.44,392 2.053,394 3.102,395 1.355,396 2.777,397 1.288,398 3.598,399 2.267,400 1.281,401 1.913,403 2.852,404 1.26,405 2.5,406 1.076,407 3.562,408 2,409 1.013,410 1.5,412 2.575,413 1,414 2.5,415 1,416 3.414,417 1.994,418 1,419 1.5,421 2.275,422 0.99,423 2.465,424 1,425 3.247,426 1.984,427 1,428 1.449,430 2.136,431 0.983,432 1.729,433 0.741,434 3.101,435 1.405,436 0.449,437 0.552,439 1.119,440 0.42,441 1.313,442 0.426,443 2.764,444 0.935,445 0.02,446 0.025,448 0.048,449 0.016,450 1.014,451 -0.044,452 2.445,453 0.595,454 -0.34,455 -0.435,457 -0.814,458 -0.291,459 0.889,460 -0.429,461 2.304,462 0.391,463 -0.583,464 -0.833,466 -1.455,467 -0.561,468 12.314,469 0.493,470 0.465,471 0.019,472 38.25,473 1.53,474 22.5,475 0.9,476 15.75,477 0.63,478 15.877,479 0.635,480 24.286,481 0.607,482 25.535,483 1.021,484 7.668,485 0.307,486 4.625,487 0.185,488 0.058,490 0.284,496 0.647,497 1,498 0.571,499 0.8,500 0.649,501 0.771,502 0.742,503 1.154,504 0.711,505 0.975,506 0.732,507 0.954,508 1.087,509 1.111,510 1.012,511 1.045,512 1.037,513 1.035,514 1.127,515 1.198,516 0.96,517 1.059,518 1.031,519 1.042,520 1.034,521 1.003,522 0.653,523 0.784,524 0.874,525 0.81,526 1.183,527 0.863,528 0.903,529 0.846,530 1.108,531 0.925,532 0.58,533 0.996,534 0.789,535 1.07,536 0.729,537 1.098,538 0.655,539 1.086,540 0.906,541 1.158,542 0.779,543 1.175,544 4,545 0.029,546 2.222,547 1.188,548 1.24,549 0.542,550 0.405,551 0.302,552 0.2,553 0.117,554 7458,555 21561,556 2.179,557 37.5,559 10,561 2,562 1,563 2,567 1.681,568 2.113,569 3.346,570 -0.356,577 59.835,578 1.496,579 3.216,580 4.091,581 4.722,582 4.822,583 4.872,584 2.953,585 4.324,586 4.61,587 3.486,588 1045.76,589 7.983,590 12517.9,592 1,595 212.877,596 1.078,597 4.606,598 0.143,599 0.002,600 0.058,601 0.031,602 0.038,603 0.016,604 0.012,605 0.01,606 0.01,607 0.008,608 0.329,609 0.33,610 1,611 0.372,612 120.213,613 0.065,614 0.037,615 0.023,616 0.023,617 0.004,618 0.028,619 0.025,620 -0.141,621 -0.022,622 -0.113,623 -0.008,624 -0.107,625 -0.096,626 -0.099,627 -0.117,628 -0.119,629 -0.114,630 -0.118,631 -0.129,632 -0.181,633 -0.088,634 -0.115,635 -0.092,636 -0.086,637 -0.048,638 0.071,639 0.077,640 0.126,641 0.049,642 0.126,643 -0.21,644 0.2,645 -0.136,646 0.051,647 -0.184,648 -0.025,649 0.141,650 -0.049,651 0.001,652 -0.109,653 0.062,654 -0.117,655 0.138,656 -0.184,657 0.054,658 -0.132,659 0.083,660 -0.126,661 0.964,662 1.836,663 0.88,664 23.142,665 1.001,666 1.111,667 4.196,668 17.604,669 0.736,670 3.367,671 3.664,672 3.932,673 4.205,674 4.489,675 4.489,676 4.654,677 4.812,678 4.927,679 4.934,680 6.034,681 0.702,682 346.84,683 3.367,684 4.89,685 5.733,686 6.6,687 7.462,688 8.336,689 9.208,690 10.087,691 10.964,692 11.846,693 10,701 1,703 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 4,797 0.75,808 1,809 1,816 4,820 1,843 3,848 1,851 25,858 1,860 1,873 1,881 11.833,882 7.243,883 5.5,884 2.316,886 3.948,887 1.535,888 1.037,889 4.384,890 11.331,891 3.701,892 4.337,893 4.951,894 5.564,895 6.178,896 6.381,897 6.84,898 7.327,899 7.786,900 8.027,901 1,902 38,903 9.15,905 3.847,906 7.611,907 17.582,909 14.353,911 2.111,912 52.778,915 1,916 164.795,917 135.065,918 68.122,919 39.149,923 135.065,924 203.944,925 68.122,927 2.535,928 94.762,929 73.654,930 53.451,931 2.328,932 141.253,933 39.149,934 164.795,935 203.188,937 39.149,939 164.795,943 41.397,944 111.679,945 89.26,947 164.795,948 68.122,949 174.214,952 164.795,953 22.208,954 112.857,955 18.011,956 89.26,957 164.795,958 68.122,959 174.214,961 0.572,962 0.329,963 0.183,964 0.108,965 19,966 7,967 0.093,968 4,969 1,970 1.091,971 3.806,972 209.623,973 0.091,974 22,975 108.096,981 15.707,982 6.978,983 3.506,984 2.127,985 68.122,986 23.267,987 12.929,991 4.465,993 18.011,994 407.132,995 39.5,1007 40.033,1008 44.428,1009 0.281,1010 0.604,1011 0.769,1012 0.887,1013 0.906,1014 0.915,1015 4.896,1016 1.281,1017 5.687,1018 3.102,1019 4.344,1020 5.024,1021 0.809,1022 6.46,1023 4.269,1024 6.102,1025 1.013,1026 7.212,1027 2.852,1028 3.761,1029 4.691,1031 7.273,1032 3.613,1033 7.397,1034 1,1035 8.838,1036 2.575,1037 5.889,1038 7.267,1039 0.391,1040 10.395,1041 5.76,1042 8.73,1043 1,1044 10.528,1045 2.275,1046 6.155,1047 7.805,1049 12.104,1050 5.979,1051 10.095,1052 0.449,1053 12.262,1054 2.136,1055 7.713,1056 9.802,1057 0.187,1058 14.736,1059 7.545,1060 11.486,1061 0.02,1062 14.028,1063 1.119,1064 8.404,1065 10.798,1067 16.832,1068 8.209,1069 12.897,1070 -0.34,1071 15.817,1072 0.048,1073 9.711,1074 12.527,1075 0.089,1076 19.301,1077 9.512,1078 3.153,1079 -0.583,1080 17.626,1081 -0.814,1082 10.624,1083 13.773,1085 21.565,1086 10.407,1087 2.659,1088 10.902,1089 19.45,1090 -1.455,1091 11.821,1092 15.376,1093 0.042,1094 23.98,1095 11.595,1096 2.531,1097 8.069,1098 21.287,1099 4.543,1100 12.848,1101 16.755,1103 26.315,1104 12.606,1105 2.251,1106 7.166,1107 23.134,1108 3.625,1109 14.002,1110 18.301,1111 0.019,1112 28.712,1113 13.748,1114 2.007,1115 6.536,1116 24.99,1117 3.467,1118 15.085,1119 19.747,1121 31.076,1122 14.816,1123 1.831,1124 5.669,1125 26.854,1126 3.075,1127 16.224,1128 21.27,1129 0.009,1130 33.468,1131 15.942,1132 1.44,1133 4.855,1134 28.724,1135 2.76,1136 17.336,1137 22.75,1139 35.845,1140 17.039,1141 7000,1142 12027,1143 19.474,1144 29.449,1145 41.584,1146 41.973,1147 41.88,1148 41.449,1149 41.266,1150 58.109,1151 2.16,1152 114.607,1153 39.561,1154 5.378,1155 5.258,1156 6.509,1157 5.178,1158 5.153,1159 7.543,1160 1.36,1161 18.155,1162 5.096,1163 6.696,1164 1.485,1165 1.499,1166 1.496,1167 1.48,1168 1.474,1169 2.075,1170 0.077,1171 4.093,1172 1.413,1173 4.095,1174 4.126,1175 4.071,1176 4.02,1177 5.089,1178 4.025,1179 3.883,1180 3.913,1181 3.966,1182 3.826,1183 4.932,1184 3.818,1185 3.846,1186 3.882,1187 3.787,1188 3.757,1189 4.886,1190 3.758,1191 3.406,1192 3.47,1193 3.412,1194 3.24,1195 4.544,1196 3.253,1197 3.224,1198 3.285,1199 3.292,1200 3.077,1201 4.375,1202 3.085,1203 2.89,1204 2.946,1205 3.047,1206 2.785,1207 3.996,1208 2.771,1209 2.854,1210 2.925,1211 2.709,1212 2.735,1213 3.775,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.674,1220 2.715,1221 0.164,1222 0.116,1223 0.24,1224 0.148,1225 0.113,1226 4.596,1227 0.162,1228 3.258,1229 0.024,1230 6.707,1231 0.389,1232 4.135,1233 0.111,1234 3.153,1235 4.543,1236 0.68,1237 10.902,1238 3.096,1239 2.047,1240 2.023,1241 2.119,1242 2.141,1243 1.278,1244 2.135,1245 1.872,1246 1.847,1247 1.969,1248 1.966,1249 1.07,1250 1.974,1251 1.827,1252 1.793,1253 1.943,1254 1.929,1255 1.033,1256 1.939,1257 1.354,1258 1.298,1259 1.52,1260 1.553,1261 0.604,1262 1.544,1263 1.18,1264 1.127,1265 1.344,1266 1.376,1267 0.418,1268 1.378,1269 0.886,1270 0.821,1271 1.181,1272 1.062,1273 0.218,1274 1.107,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.845,1282 0.803,1283 1.122,1284 1.044,1285 0.202,1286 1.066,1287 4.043,1289 5.342,1291 6.851,1293 8.455,1295 10.108,1298 5.947,1303 0.72,1305 3.323,1314 28.074,1315 59.835,1316 128.638,1317 163.658,1318 188.877,1319 192.877,1320 194.877,1321 28.938,1322 7.383,1323 50.7,1324 50.7,1325 24,1326 12.382,1327 4.585,1328 3.644,1329 35.852,1330 89,1331 97,1332 0.197,1333 176.352,1334 291.69,1335 422.06,1336 15672,1337 2.5,1338 17.062,1339 0.682,1340 0.564,1341 17.562,1342 14.111,1343 12.293,1344 0.439,1345 0.298,1346 7.92,1347 11.714,1348 7.714,1349 6.399,1350 12.582,1351 8.33,1352 10.811,1353 0.285,1354 0.162,1355 11.219,1356 6.141,1357 9.126,1358 0.183,1359 0.085,1360 9.415,1361 4.244,1362 7.644,1363 0.116,1364 0.044,1365 7.811,1366 2.872,1367 6.731,1368 0.076,1369 0.023,1370 6.967,1371 2.061,1372 0.306,1373 78.749,1374 0.227,1375 24.261,1376 0.551,1377 132,1378 355.472,1379 154.458,1380 388.218,1381 533.19,1382 364,1383 154,1384 381.691,1385 171.363,1386 400.645,1387 578.74,1388 378,1389 5.1}
{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 11,237 1,238 13,241 1,243 7,246 11,250 9,253 1,255 1,258 12,263 1,264 8,269 1,272 23,276 3163,277 26.126,278 26.126,279 26.126,280 26.126,281 26.126,282 23.423,283 36.989,284 15.44,285 26.724,286 21.281,287 21.281,288 21.281,289 21.281,290 21.281,291 17.125,292 47.755,293 7.396,294 22.217,295 4.772,296 2.742,297 1.666,298 1.109,299 0.948,300 0.922,301 4.396,306 1,307 1298,308 4.359,311 114.727,312 481.223,316 186.324,319 2.479,320 29.015,323 0.75,324 0.83,325 0.83,326 0.9,327 0.5,328 0.83,329 1,330 0.81,331 83.5,332 598,333 4.594,334 3.613,335 7.139,336 4.35,337 3.366,338 4.54,339 1.656,340 11.836,341 3.316,342 4.578,343 3.536,344 6.702,345 4.127,346 3.145,347 4.211,348 0.86,349 10.879,350 3.09,351 4.199,352 3.227,353 6.493,354 3.921,355 2.963,356 3.597,357 0.86,358 10.131,359 2.833,360 3.865,361 3.067,362 5.74,363 3.496,364 2.54,365 3.226,366 0.8,367 7.766,368 2.449,369 3.751,370 2.893,371 5.388,372 3.436,373 2.505,374 3.142,375 0.247,376 6.968,377 2.325,378 3.541,379 2.607,380 5.339,381 3.358,382 2.387,383 2.819,385 6.89,386 2.29,387 3.493,388 2.558,389 5.051,390 3.117,391 2.149,392 2.652,394 6.04,395 2.068,396 3.333,397 2.177,398 4.897,399 2.913,400 1.937,401 2.516,403 5.529,404 1.887,405 3.228,406 2.106,407 4.668,408 2.794,409 1.8,410 2.453,412 4.897,413 1.783,414 2.784,415 2.025,416 4.433,417 2.444,418 1.557,419 1.922,421 3.995,422 1.373,423 2.669,424 1.571,425 3.952,426 2.293,427 1.327,428 1.71,430 3.269,431 1.286,432 2.6,433 1.484,434 3.81,435 2.267,436 1.289,437 1.609,439 2.868,440 1.251,441 2.5,442 1.287,443 3.647,444 2.093,445 1.173,446 1.5,448 2.824,449 1.07,450 2.471,451 1.256,452 3.596,453 2,454 1,455 1.461,457 2.727,458 1,459 2.387,460 1.078,461 3.414,462 1.952,463 1,464 1.337,466 2.275,467 0.946,468 18.5,469 0.474,470 1.069,471 0.027,472 48.25,473 1.237,474 23,475 0.59,476 25.25,477 0.647,478 39.35,479 1.009,480 42.7,481 0.562,482 40.967,483 1.05,484 9.39,485 0.241,486 9.385,487 0.241,488 0.126,489 0.027,490 0.286,496 0.823,497 1.355,498 0.848,499 1.168,500 0.701,501 1.032,502 1.066,503 1.074,504 0.877,505 0.93,506 0.65,507 0.888,508 1.194,509 1.173,510 1.133,511 1.094,512 0.997,513 1.101,514 0.848,515 1.07,516 0.894,517 0.991,518 0.789,519 0.946,520 1.337,521 0.979,522 0.964,523 0.871,524 1.263,525 0.863,526 1.433,527 1.037,528 1.075,529 0.924,530 1.478,531 0.939,532 0.944,533 1.197,534 1.016,535 1.117,536 1.482,537 1.078,538 1.284,539 0.945,540 1.167,541 0.976,542 2.046,543 1.041,544 8.5,545 0.325,546 4.444,547 2.438,548 2.225,549 1.507,550 1.122,551 0.646,552 0.637,553 0.365,554 26024,555 58050,556 2.088,557 48.7,558 12,559 23,562 2,567 1.794,568 1.958,569 3.818,570 0.111,577 112.148,578 1.476,579 3.506,580 4.582,581 5.139,582 5.3,583 5.326,584 3.329,585 4.785,586 5.253,587 4.051,588 3002.02,589 9.269,590 52076,595 474.842,596 1.496,597 5.213,598 0.198,599 0.007,600 0.073,601 0.04,602 0.038,603 0.026,604 0.02,605 0.011,606 0.012,607 0.007,608 0.431,609 0.17,610 0.75,611 0.651,612 220.011,613 0.029,614 -0.126,615 0.071,616 -0.067,617 -0.056,618 -0.005,619 0.06,620 0.049,621 0.102,622 0.09,623 0.119,624 0.094,625 -0.074,626 -0.076,627 -0.149,628 -0.098,629 -0.071,630 -0.131,631 0.045,632 -0.067,633 0.091,634 -0.024,635 0.071,636 0.032,637 -0.034,638 0.03,639 0.066,640 0.065,641 0.065,642 0.078,643 -0.118,644 0.032,645 -0.06,646 0.044,647 -0.046,648 0.01,649 0.049,650 -0.131,651 -0.043,652 -0.107,653 0.091,654 -0.089,655 -0.195,656 0.079,657 -0.175,658 0.005,659 -0.305,660 -0.068,661 2.005,662 6.244,663 0.692,664 51.546,665 0.995,666 1.128,667 3.837,668 14.725,669 0.652,670 3.784,671 4.127,672 4.369,673 4.635,674 4.89,675 4.977,676 5.075,677 5.165,678 5.313,679 5.366,680 8.816,681 0.614,682 527.73,683 3.784,684 5.342,685 6.188,686 7.074,687 7.942,688 8.832,689 9.711,690 10.604,691 11.488,692 12.383,693 6.6,696 1,700 2,701 1,703 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 5,797 0.8,798 3,807 1,815 1,816 4,820 1,839 1,842 1,843 4,847 4,851 39,858 6,860 2,861 2,864 1,865 1,874 3.9,877 1,878 1,879 1,881 19.917,882 14.767,883 8.389,884 4.573,886 4.045,887 1.479,888 0.975,889 8.336,890 12.497,891 4.025,892 4.627,893 5.201,894 5.808,895 6.349,896 6.657,897 7.013,898 7.346,899 7.713,900 7.802,901 1,902 61,903 14.458,905 6.092,906 7.583,907 28.075,909 23.074,911 2.083,912 81.25,916 411.989,917 188.083,918 57.585,920 47.145,923 188.083,924 459.133,925 57.585,926 35.301,927 56.116,928 104.239,929 52.808,930 40.074,931 4.276,932 411.989,934 411.989,935 245.668,936 47.145,939 411.989,940 36.145,941 11,943 101.402,944 127.603,945 16.663,947 411.989,948 104.73,949 188.083,952 411.989,953 48.543,954 144.44,955 36.022,956 63.808,957 411.989,958 104.73,959 188.083,961 0.586,962 0.329,963 0.176,964 0.103,965 29,966 13,967 0.1,968 8,969 1,970 1.074,971 4.894,972 385.073,973 0.074,974 27,975 193.376,981 27.35,982 11.887,983 6.683,984 1.871,985 102.954,986 21.784,987 4.812,991 5.055,992 1.781,993 36.022,994 704.801,995 55,1000 13.244,1004 -0.338,1007 75.629,1008 85.763,1009 0.236,1010 0.561,1011 0.733,1012 0.822,1013 0.848,1014 0.853,1015 5.281,1016 1.937,1017 6.196,1018 6.04,1019 4.812,1020 5.316,1021 2.274,1022 7.029,1023 4.737,1024 6.494,1025 1.8,1026 7.772,1027 5.529,1028 4.511,1029 5.182,1030 1.305,1031 8.116,1032 4.43,1033 7.813,1034 1.557,1035 9.458,1036 4.897,1037 6.46,1038 7.526,1039 2.627,1040 11.162,1041 6.326,1042 9.168,1043 1.327,1044 11.212,1045 3.995,1046 6.976,1047 8.228,1048 2.354,1049 13.082,1050 6.845,1051 10.558,1052 1.289,1053 13.012,1054 3.269,1055 8.428,1056 10.072,1057 3.315,1058 15.702,1059 8.256,1060 11.972,1061 1.173,1062 14.844,1063 2.868,1064 9.309,1065 11.176,1066 3.414,1067 17.936,1068 9.137,1069 13.406,1070 1,1071 16.699,1072 2.824,1073 10.577,1074 12.813,1075 4.177,1076 20.428,1077 10.378,1078 3.366,1079 1,1080 18.572,1081 2.727,1082 11.623,1083 14.116,1084 4.466,1085 22.783,1086 11.419,1087 3.145,1088 11.836,1089 20.459,1090 2.275,1091 12.826,1092 15.665,1093 5.117,1094 25.235,1095 12.603,1096 2.963,1097 10.879,1098 22.356,1099 4.54,1100 13.946,1101 17.066,1102 5.504,1103 27.64,1104 13.716,1105 2.54,1106 10.131,1107 24.263,1108 4.211,1109 15.13,1110 18.579,1111 6.093,1112 30.083,1113 14.884,1114 2.505,1115 7.766,1116 26.176,1117 3.597,1118 16.285,1119 20.028,1120 6.531,1121 32.509,1122 16.029,1123 2.387,1124 6.968,1125 28.094,1126 3.226,1127 17.466,1128 21.529,1129 7.084,1130 34.951,1131 17.197,1132 2.149,1133 6.89,1134 30.018,1135 3.142,1136 18.638,1137 23.001,1138 7.551,1139 37.389,1140 18.358,1141 24443,1142 36729,1143 28.72,1144 49.574,1145 65.312,1146 66.112,1147 65.558,1148 64.61,1149 64.651,1150 82.321,1151 8.846,1152 187.972,1153 62.139,1154 5.594,1155 5.613,1156 6.941,1157 5.453,1158 5.366,1159 7.54,1160 2.912,1161 19.07,1162 5.316,1163 19.333,1164 1.519,1165 1.537,1166 1.525,1167 1.503,1168 1.504,1169 1.914,1170 0.206,1171 4.371,1172 1.445,1173 4.112,1174 4.142,1175 4.073,1176 4.047,1177 7.431,1178 4.048,1179 4.037,1180 4.073,1181 4,1182 3.922,1183 4.985,1184 3.933,1185 3.82,1186 3.869,1187 3.743,1188 3.737,1189 4.932,1190 3.734,1191 3.807,1192 3.859,1193 3.685,1194 3.586,1195 4.647,1196 3.601,1197 3.593,1198 3.656,1199 3.496,1200 3.417,1201 4.629,1202 3.424,1203 3.5,1204 3.546,1205 3.392,1206 3.374,1207 4.501,1208 3.374,1209 3.427,1210 3.478,1211 3.321,1212 3.194,1213 4.288,1214 3.213,1215 3.289,1216 3.343,1217 3.166,1218 3.059,1219 4.219,1220 3.081,1221 0.107,1222 0.084,1223 0.166,1224 0.101,1225 0.078,1226 4.594,1227 0.106,1228 3.613,1229 0.039,1230 7.139,1231 0.275,1232 4.35,1233 0.077,1234 3.366,1235 4.54,1236 1.656,1237 11.836,1238 3.316,1239 2.066,1240 2.051,1241 2.137,1242 2.136,1243 1.294,1244 2.136,1245 1.925,1246 1.894,1247 2.04,1248 2.032,1249 1.249,1250 2.033,1251 1.784,1252 1.737,1253 1.992,1254 1.982,1255 1.211,1256 1.977,1257 1.735,1258 1.673,1259 1.955,1260 1.919,1261 1.145,1262 1.946,1263 1.523,1264 1.477,1265 1.687,1266 1.765,1267 0.925,1268 1.73,1269 1.46,1270 1.413,1271 1.645,1272 1.656,1273 0.825,1274 1.662,1275 1.353,1276 1.295,1277 1.598,1278 1.576,1279 0.72,1280 1.584,1281 1.222,1282 1.154,1283 1.513,1284 1.464,1285 0.689,1286 1.472,1287 4.466,1289 5.802,1290 2.398,1291 7.323,1292 4.727,1293 8.929,1294 6.862,1295 10.581,1297 8.366,1303 4.856,1305 6.053,1306 11.589,1309 2.346,1310 -0.17,1314 46.68,1315 112.148,1316 266.431,1317 348.22,1318 390.539,1319 402.803,1320 404.803,1321 68.386,1322 8.452,1323 80.65,1324 80.65,1325 29,1326 12.911,1327 4.585,1328 3.7,1329 61.501,1330 207,1331 229,1332 0.142,1333 284.925,1334 491.79,1335 686.977,1336 65902,1338 27.407,1339 0.703,1340 0.594,1341 27.407,1342 23.16,1343 18.775,1344 0.437,1345 0.314,1346 13.293,1347 18.05,1348 12.824,1349 10.687,1350 18.775,1351 13.481,1352 17.699,1353 0.29,1354 0.18,1355 17.699,1356 10.951,1357 13.957,1358 0.179,1359 0.088,1360 13.957,1361 6.899,1362 11.568,1363 0.113,1364 0.045,1365 11.568,1366 4.605,1367 9.739,1368 0.074,1369 0.024,1370 9.739,1371 3.204,1372 0.228,1373 117.51,1374 0.187,1375 35.501,1376 0.379,1377 208,1378 552.808,1379 227.848,1380 532.378,1381 740.08,1382 502,1383 243,1384 556.217,1385 263.768,1386 563.342,1387 824.66,1388 529,1389 5.15}
{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 7,238 4,243 4,246 7,250 3,255 2,258 3,264 1,269 1,272 2,276 1031,277 16.499,278 16.499,279 16.499,280 16.499,281 16.499,282 14.722,283 16.843,284 9.551,285 17.054,286 13.256,287 13.256,288 13.256,289 13.256,290 13.256,291 10.619,292 19.271,293 4.509,294 14.337,295 3.302,296 1.356,297 0.657,298 0.308,299 0.308,300 0.308,301 3.932,302 1,305 1,306 1,307 524,308 3.317,309 51.118,312 170.887,319 1.485,320 42.023,323 0.75,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.84,331 55.733,332 247,333 4.52,334 4.041,335 6.732,336 4.133,337 3.167,338 4.211,339 2.095,340 10.87,341 3.063,342 4.208,343 3.49,344 6.052,345 3.738,346 2.821,347 3.862,348 0.776,349 8.685,350 2.636,351 3.839,352 3.218,353 5.862,354 3.652,355 2.662,356 3.193,357 0.4,358 7.781,359 2.547,360 3.654,361 3.189,362 5.492,363 3.461,364 2.496,365 2.787,367 7.387,368 2.371,369 3.475,370 2.638,371 5.038,372 2.985,373 2.138,374 2.658,376 5.926,377 1.771,378 3.169,379 2.623,380 4.887,381 2.738,382 1.829,383 2.366,385 5.201,386 1.487,387 2.872,388 2.437,389 4.209,390 2.474,391 1.519,392 1.964,394 3.779,395 1.423,396 2.82,397 1.985,398 4.146,399 2.33,400 1.414,401 1.946,403 3.641,404 1.226,405 2.241,406 1.85,407 3.475,408 2.022,409 1.065,410 1.187,412 2.393,413 0.999,414 1.75,415 1.153,416 3.246,417 1.412,418 0.548,419 0.629,421 1.357,422 0.415,423 1.375,424 1.013,425 2.793,426 1.135,427 0.174,428 0.193,430 0.394,431 0.158,432 1.225,433 0.664,434 2.687,435 0.941,436 0.072,437 0.082,439 0.165,440 0.047,441 1.171,442 0.378,443 2.417,444 0.721,445 -0.199,446 -0.25,448 -0.481,449 -0.117,450 0.797,451 0.195,452 2.359,453 0.255,454 -0.514,455 -0.621,457 -1.242,458 -0.207,459 0.427,460 -0.151,461 2.114,462 0.223,463 -0.742,464 -0.817,466 -1.619,467 -0.623,468 12.895,469 0.516,470 0.72,471 0.029,472 29.75,473 1.19,474 14,475 0.56,476 15.75,477 0.63,478 22.959,479 0.918,480 26.705,481 0.685,482 21.203,483 0.848,484 5.645,485 0.226,486 6.307,487 0.252,488 0.253,490 0.349,494 2,496 0.58,497 0.846,498 0.467,499 0.56,500 0.516,501 0.716,502 0.758,503 1.038,504 0.575,505 0.692,506 0.609,507 0.911,508 0.816,509 0.989,510 0.951,511 0.953,512 0.752,513 0.933,514 1.243,515 0.96,516 0.713,517 0.725,518 1.133,519 0.79,520 1.27,521 0.935,522 0.351,523 0.491,524 1.313,525 0.702,526 1.042,527 1.118,528 0.598,529 0.728,530 1.132,531 0.838,532 1.249,533 1.123,534 0.595,535 0.71,536 1.459,537 0.976,538 1.157,539 1.085,540 1.055,541 1.051,542 1.182,543 1.055,544 5.5,545 0.09,546 3.611,547 1.91,548 1.623,549 0.976,550 0.691,551 0.441,552 0.261,553 0.148,554 6836,555 26239,556 2.015,557 35.9,558 4,559 7,562 2,564 1,567 1.685,568 1.852,569 3.247,570 0.352,575 1,577 77.341,578 1.983,579 3.93,580 4.629,581 4.978,582 4.978,583 4.978,584 2.713,585 4.484,586 4.61,587 3.422,588 1026.7,589 8.004,590 12430.5,595 206.131,596 1.516,597 4.555,598 0.204,599 0.008,600 0.103,601 0.05,602 0.048,603 0.029,604 0.019,605 0.014,606 0.011,607 0.009,608 0.495,609 0.33,610 0.75,611 0.65,612 119.967,613 0.003,614 0.042,615 -0.002,616 0.03,617 -0.014,618 0.043,619 -0.034,620 -0.177,621 0.009,622 -0.003,623 0.014,624 -0.066,625 0.148,626 -0.026,627 -0.043,628 -0.031,629 0.167,630 0.005,631 -0.151,632 0.005,633 0.059,634 0.106,635 -0.11,636 0.12,637 -0.1,638 0.097,639 0.009,640 0.06,641 -0.058,642 0.08,643 0.169,644 -0.015,645 -0.016,646 -0.013,647 0.153,648 0.01,649 -0.017,650 -0.032,651 -0.005,652 0.008,653 -0.085,654 -0.127,655 -0.131,656 -0.081,657 0.035,658 0.011,659 -0.157,660 -0.033,661 2.829,662 6.277,663 0.6,664 22.128,665 1.034,666 1.13,667 4.357,668 18.986,669 0.754,670 3.332,671 3.664,672 3.85,673 4.025,674 4.234,675 4.29,676 4.277,677 4.304,678 4.369,679 4.29,680 5.899,681 0.708,682 478.68,683 3.332,684 4.875,685 5.72,686 6.592,687 7.454,688 8.329,689 9.198,690 10.075,691 10.947,692 11.826,693 5.1,700 1,701 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 2,797 1,798 2,813 1,816 2,837 1,843 3,848 1,849 2,850 1,851 25,858 3,860 2,861 1,863 1,873 4,874 5.1,877 1,878 1,881 13.5,882 6.905,883 5.472,884 2.282,886 2.424,887 1.356,888 0.995,889 6.015,890 9.226,891 3.555,892 4.143,893 4.635,894 5.119,895 5.636,896 5.809,897 5.966,898 6.235,899 6.586,900 6.773,901 0.857,902 38,903 9.366,905 4.171,906 8.176,907 17.112,909 14.073,911 2.676,912 66.898,916 141.253,917 150.631,918 38.636,919 39.149,920 36.364,921 29.92,922 56.782,923 93.849,924 216.766,925 68.556,927 30.287,928 47.381,929 41.068,930 50.112,931 29.92,932 198.035,933 39.149,934 141.253,935 132.485,936 66.284,937 39.149,938 56.782,939 159.402,940 36.916,941 11.219,943 48.297,944 84.187,945 39.149,946 56.782,947 171.173,948 75,949 132.997,950 56.782,952 141.253,953 46.467,954 104.163,955 38.636,956 105.433,957 141.253,958 104.92,959 132.997,960 56.782,961 0.59,962 0.327,963 0.16,964 0.086,965 18,966 9,967 0.146,968 6,970 1,971 3.689,972 201.789,974 15,975 114.096,981 18.668,982 8.055,983 4.954,985 104.92,986 7.132,991 -1.033,993 38.636,994 435.952,995 34,1000 12.261,1004 -0.663,1007 40.345,1008 44.081,1009 0.375,1010 0.744,1011 0.876,1012 0.942,1013 0.942,1014 0.942,1015 4.804,1016 1.414,1017 5.72,1018 3.779,1019 4.344,1020 4.828,1021 2.425,1022 6.526,1023 4.201,1024 6.027,1025 1.065,1026 7.292,1027 3.641,1028 4.111,1029 4.783,1031 7.493,1032 3.865,1033 7.346,1034 0.548,1035 8.964,1036 2.393,1037 5.964,1038 7.004,1039 3.697,1040 10.527,1041 5.74,1042 8.695,1043 0.174,1044 10.69,1045 1.357,1046 6.463,1047 7.7,1049 12.261,1050 6.162,1051 10.072,1052 0.072,1053 12.45,1054 0.394,1055 7.855,1056 9.477,1057 5.14,1058 14.869,1059 7.563,1060 11.468,1061 -0.199,1062 14.234,1063 0.165,1064 8.679,1065 10.52,1067 16.941,1068 8.328,1069 12.88,1070 -0.514,1071 16.036,1072 -0.481,1073 9.898,1074 12.113,1075 6.612,1076 19.4,1077 9.54,1078 3.167,1079 -0.742,1080 17.852,1081 -1.242,1082 10.876,1083 13.332,1085 21.633,1086 10.471,1087 2.821,1088 10.87,1089 19.679,1090 -1.619,1091 12.028,1092 14.839,1093 8.09,1094 24.038,1095 11.606,1096 2.662,1097 8.685,1098 21.516,1099 4.211,1100 13.08,1101 16.152,1103 26.348,1104 12.619,1105 2.496,1106 7.781,1107 23.362,1108 3.862,1109 14.21,1110 17.615,1111 9.57,1112 28.735,1113 13.726,1114 2.138,1115 7.387,1116 25.215,1117 3.193,1118 15.3,1119 18.978,1121 31.082,1122 14.782,1123 1.829,1124 5.926,1125 27.074,1126 2.787,1127 16.425,1128 20.421,1129 11.049,1130 33.464,1131 15.882,1132 1.519,1133 5.201,1134 28.938,1135 2.658,1136 17.536,1137 21.811,1139 35.83,1140 16.961,1141 6676,1142 13255,1143 17.512,1144 29.404,1145 40.142,1146 44.575,1147 41.981,1148 40.177,1149 39.811,1150 50.157,1151 6.542,1152 115.158,1153 36.289,1154 5.489,1155 6.041,1156 6.296,1157 5.183,1158 5.167,1159 7.211,1160 4.191,1161 18.175,1162 5.063,1163 13.855,1164 1.487,1165 1.651,1166 1.555,1167 1.488,1168 1.474,1169 1.858,1170 0.242,1171 4.265,1172 1.344,1173 4.002,1174 4.027,1175 10.695,1176 4.034,1177 8.239,1178 3.925,1179 3.897,1180 3.945,1181 4.017,1182 3.851,1183 8.161,1184 3.8,1185 3.841,1186 3.858,1187 3.88,1188 3.788,1189 7.429,1190 3.775,1191 3.395,1192 3.426,1193 3.768,1194 3.381,1195 4.937,1196 3.15,1197 3.093,1198 3.156,1199 3.361,1200 3.089,1201 4.681,1202 2.986,1203 2.991,1204 3.04,1205 3.249,1206 2.796,1207 4.487,1208 2.77,1209 2.879,1210 2.922,1211 2.945,1212 2.768,1213 4.32,1214 2.735,1215 2.794,1216 2.844,1217 2.872,1218 2.716,1219 4.161,1220 2.678,1221 0.167,1222 0.15,1223 0.249,1224 0.153,1225 0.117,1226 4.52,1227 0.156,1228 4.041,1229 0.078,1230 6.732,1231 0.403,1232 4.133,1233 0.113,1234 3.167,1235 4.211,1236 2.095,1237 10.87,1238 3.063,1239 1.93,1240 1.912,1241 1.975,1242 2.036,1243 1.118,1244 2.022,1245 1.823,1246 1.809,1247 1.866,1248 1.883,1249 1.031,1250 1.896,1251 1.429,1252 1.379,1253 1.676,1254 1.699,1255 1.015,1256 1.68,1257 1.153,1258 1.123,1259 1.513,1260 1.425,1261 0.825,1262 1.429,1263 1.147,1264 1.064,1265 1.26,1266 1.376,1267 0.284,1268 1.385,1269 1.028,1270 0.979,1271 1.163,1272 1.232,1273 0.252,1274 1.234,1275 0.868,1276 0.824,1277 1.093,1278 1.016,1279 0.17,1280 1.059,1281 0.735,1282 0.702,1283 1.006,1284 0.995,1285 0.134,1286 0.973,1287 4.007,1288 1.946,1289 5.333,1290 3.714,1291 6.849,1292 5.416,1293 8.454,1294 7.086,1295 10.105,1298 6.12,1299 27.921,1300 2.081,1303 2.541,1305 4.968,1306 5.118,1308 0.452,1314 27.598,1315 77.341,1316 153.26,1317 180.521,1318 194.131,1319 194.131,1320 194.131,1321 67.312,1322 6.802,1323 50.36,1324 50.36,1325 15,1326 12.364,1327 3.807,1328 3,1329 41.529,1330 83,1331 98,1332 0.234,1333 181.063,1334 317.51,1335 433.555,1336 7431,1337 10.3,1338 17.974,1339 0.719,1340 0.633,1341 18.234,1342 15.827,1343 11.952,1344 0.443,1345 0.335,1346 7.543,1347 10.41,1348 7.35,1349 6.016,1350 12.286,1351 9.033,1352 10.984,1353 0.289,1354 0.194,1355 11.547,1356 7.371,1357 8.673,1358 0.189,1359 0.096,1360 8.734,1361 4.406,1362 6.499,1363 0.118,1364 0.053,1365 7.314,1366 2.937,1367 5.021,1368 0.074,1369 0.026,1370 5.349,1371 1.741,1372 0.36,1373 92.629,1374 0.239,1375 24.228,1376 0.661,1377 130,1378 542.211,1379 310.958,1380 536.301,1381 679.55,1382 494,1383 152,1384 425.256,1385 229.623,1386 439.453,1387 642.94,1388 412,1389 5}
{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 6,243 3,246 4,250 2,255 2,267 1,276 574,277 14.584,278 14.584,279 14.584,280 14.584,281 14.584,282 13.012,283 17.457,284 8.514,285 14.907,286 11.818,287 11.818,288 11.818,289 11.818,290 11.818,291 9.392,292 25.392,293 3.973,294 12.346,295 3.791,296 1.994,297 0.832,298 0.454,299 0.454,300 0.454,301 3.824,304 1,305 1,306 1,307 336,308 3,312 98.279,313 70.95,316 84.434,319 1.017,320 28.663,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 47.5,332 158,333 5.006,334 4.751,335 7.789,336 4.525,337 3.595,338 4.908,339 0.4,340 14.252,341 3.325,342 4.425,343 3.07,344 6.668,345 3.971,346 2.984,347 4.265,348 0.4,349 10.52,350 2.94,351 3.53,352 2.794,353 5.823,354 3.343,355 2.399,356 2.851,358 7.446,359 2.251,360 3.447,361 2.142,362 5.046,363 3.011,364 2.015,365 2.682,367 5.706,368 2.007,369 3.175,370 1.907,371 4.825,372 2.686,373 1.717,374 2.373,376 4.755,377 1.662,378 2.769,379 1.692,380 4.075,381 2.557,382 1.585,383 1.902,385 3.392,386 1.539,387 2.589,388 1.516,389 3.827,390 2.252,391 1.321,392 1.589,394 3.165,395 1.241,396 2.49,397 1.275,398 3.706,399 2.243,400 1.268,401 1.485,403 2.957,404 1.218,405 2.361,406 1.096,407 3.459,408 1.935,409 0.97,410 1.307,412 2.293,413 0.932,414 1.188,415 0.373,416 3,417 1.089,418 0.13,419 0.134,421 0.292,422 0.124,423 1.18,424 0.157,425 2.623,426 0.76,427 -0.213,428 -0.28,430 -0.49,431 -0.207,432 1,433 -0.032,434 2.432,435 0.678,436 -0.277,437 -0.285,439 -0.643,440 -0.263,441 0.965,442 -0.119,443 2.35,444 0.464,445 -0.503,446 -0.716,448 -1.427,449 -0.48,450 0.75,451 -0.646,452 2.272,453 0.231,454 -0.738,455 -1.052,457 -1.77,458 -0.707,459 0.701,460 -0.963,461 2,463 -1,464 -1.097,466 -2.475,467 -1,468 10.7,469 0.486,470 0.657,471 0.03,472 27,473 1.227,474 13,475 0.591,476 14,477 0.636,478 19.532,479 0.888,480 24.7,481 0.574,482 19.584,483 0.89,484 4.942,485 0.225,486 5.573,487 0.253,488 0.156,489 0.078,490 0.271,496 0.517,497 1.483,498 0.863,499 1.321,500 0.642,501 1.051,502 0.711,503 0.999,504 0.809,505 0.829,506 0.539,507 0.865,508 0.902,509 1.08,510 1.133,511 1.122,512 0.737,513 0.951,514 1.508,515 1.073,516 1.445,517 1.267,518 1.522,519 1.035,520 1.802,521 1.15,522 1.441,523 1.304,524 2.132,525 1.11,526 1.637,527 0.639,528 0.866,529 0.614,530 1.904,531 0.884,532 0.229,533 1.23,534 0.766,535 1.121,536 0.148,537 1.318,538 0.322,539 1.211,540 0.761,541 1.058,542 0.195,543 1.254,544 4.5,546 3.556,547 2.875,548 1.764,549 0.851,550 0.428,551 0.183,552 0.09,553 0.007,554 4109,555 10220,556 2.032,557 48.8,558 3,559 10,561 2,562 1,564 3,565 2,567 1.654,568 1.872,569 2.853,570 -0.265,571 1,572 1,574 1,577 70.336,578 1.636,579 3.433,580 4.594,581 4.973,582 4.973,583 4.973,584 2.204,585 3.754,586 4.437,587 2.953,588 682.077,589 7.667,590 7175.9,592 1,594 1,595 233.329,596 1.661,597 4.366,598 0.188,600 0.102,601 0.068,602 0.045,603 0.025,604 0.018,605 0.009,606 0.008,607 0.003,608 0.466,609 0.5,610 1,611 0.65,612 97.41,613 0.138,614 -0.216,615 0.248,616 -0.098,617 -0.128,618 0.013,619 0.231,620 0.144,621 0.137,622 0.166,623 0.248,624 0.108,625 -0.021,626 0.043,627 0.058,628 0.043,629 0.034,630 0.068,631 -0.184,632 -0.023,633 -0.115,634 -0.069,635 -0.073,636 -0.042,637 -0.148,638 -0.192,639 -0.245,640 -0.213,641 -0.121,642 -0.15,643 -0.192,644 0.229,645 -0.118,646 0.158,647 -0.232,648 0.022,649 0.048,650 -0.28,651 -0.141,652 -0.258,653 0.015,654 -0.29,655 0.066,656 -0.347,657 -0.076,658 -0.258,659 0.019,660 -0.27,661 4.435,662 6.194,663 0.773,664 12.818,665 1,666 1.13,667 1.196,668 1.43,669 0.661,670 3.219,671 3.584,672 3.892,673 4.174,674 4.369,675 4.394,676 4.419,677 4.431,678 4.477,679 4.317,680 4.523,681 0.614,682 319.47,683 3.219,684 4.779,685 5.652,686 6.564,687 7.46,688 8.378,689 9.283,690 10.204,691 11.113,692 12.035,693 7,695 1,696 1,703 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 3,797 0.667,798 2,809 1,816 2,817 1,820 1,838 1,843 2,845 1,847 2,851 22,855 1,858 4,860 1,863 1,864 1,874 4.7,877 2,881 11.75,882 8.15,883 4.778,884 2.674,886 2.413,887 1.352,888 0.986,889 4.175,890 9.277,891 3.481,892 4.135,893 4.721,894 5.335,895 5.889,896 6.135,897 6.517,898 6.815,899 7.161,900 6.995,901 0.8,902 42,903 8.43,905 3.852,906 7.792,907 15.897,909 13.568,911 2.292,912 50.417,916 235.422,917 88.715,918 36.315,920 44.313,922 5.807,923 82.908,924 279.735,925 36.315,926 17.65,927 8.852,928 52.247,929 84.641,930 29.496,932 211.88,934 235.422,935 119.223,936 44.313,937 5.807,939 176.567,940 103.168,943 64.126,944 38.311,945 22.593,947 235.422,948 80.628,949 88.715,951 5.807,952 235.422,953 18.734,954 65.693,955 18.011,956 61.098,957 235.422,958 80.628,959 88.715,961 0.591,962 0.361,963 0.203,964 0.108,965 18,966 8,967 0.044,968 2,969 1,970 1.118,971 3.192,972 183.379,973 0.118,974 17,975 92.107,980 1,981 15.417,982 5.958,983 2.777,984 1.642,985 80.628,986 8.831,987 4.16,991 1.274,993 18.011,994 404.765,995 31.5,998 -3.518,1000 26.389,1007 42.989,1008 48.571,1009 0.301,1010 0.633,1011 0.847,1012 0.916,1013 0.916,1014 0.916,1015 4.743,1016 1.268,1017 5.694,1018 3.165,1019 4.263,1020 4.82,1021 0.495,1022 6.627,1023 4.175,1024 5.994,1025 0.97,1026 7.34,1027 2.957,1028 4.111,1029 5.027,1031 8.023,1032 3.952,1033 7.373,1034 0.13,1035 9.116,1036 2.293,1037 6.009,1038 7.23,1039 0.097,1040 11.168,1041 5.809,1042 8.803,1043 -0.213,1044 10.973,1045 0.292,1046 6.711,1047 8.281,1049 13.401,1050 6.418,1051 10.277,1052 -0.277,1053 12.882,1054 -0.49,1055 8.155,1056 10.053,1057 0.016,1058 16.178,1059 7.814,1060 11.782,1061 -0.503,1062 14.826,1063 -0.643,1064 9.207,1065 11.426,1067 18.684,1068 8.771,1069 13.311,1070 -0.738,1071 16.795,1072 -1.427,1073 10.513,1074 13.061,1075 0.003,1076 21.367,1077 10.015,1078 3.595,1079 -1,1080 18.782,1081 -1.77,1082 11.698,1083 14.555,1085 23.966,1086 11.109,1087 2.984,1088 14.252,1089 20.782,1090 -2.475,1091 12.968,1092 16.147,1094 26.625,1095 12.305,1096 2.399,1097 10.52,1098 22.792,1099 4.908,1100 14.203,1101 17.688,1103 29.257,1104 13.453,1105 2.015,1106 7.446,1107 24.81,1108 4.265,1109 15.467,1110 19.267,1112 31.912,1113 14.637,1114 1.717,1115 5.706,1116 26.834,1117 2.851,1118 16.723,1119 20.828,1121 34.558,1122 15.807,1123 1.585,1124 4.755,1125 28.864,1126 2.682,1127 17.99,1128 22.405,1130 37.212,1131 16.991,1132 1.321,1133 3.392,1134 30.897,1135 2.373,1136 19.255,1137 23.976,1139 39.864,1140 18.17,1141 4072,1142 6560,1143 15.603,1144 28.426,1145 35.958,1146 36.872,1147 38.106,1148 35.971,1149 35.969,1150 46.99,1151 1.6,1152 109.556,1153 34.476,1154 5.957,1155 6.751,1156 7.544,1157 5.603,1158 5.595,1159 7.908,1160 0.8,1161 22.854,1162 5.325,1163 10.621,1164 1.498,1165 1.536,1166 1.588,1167 1.499,1168 1.499,1169 1.958,1170 0.067,1171 4.565,1172 1.437,1173 4.173,1174 4.169,1175 4.749,1176 4.154,1177 7.715,1178 4.101,1179 3.886,1180 3.927,1181 3.951,1182 3.778,1183 6.999,1184 3.734,1185 3.632,1186 3.641,1187 3.61,1188 3.504,1189 4.957,1190 3.46,1191 3.424,1192 3.479,1193 3.332,1194 3.32,1195 4.43,1196 3.298,1197 3.38,1198 3.45,1199 3.176,1200 3.236,1201 4.384,1202 3.209,1203 3.129,1204 3.22,1205 2.979,1206 2.948,1207 3.983,1208 2.939,1209 3.055,1210 3.142,1211 2.881,1212 2.799,1213 3.907,1214 2.788,1215 2.733,1216 2.852,1217 2.509,1218 2.516,1219 3.742,1220 2.492,1221 0.209,1222 0.198,1223 0.325,1224 0.189,1225 0.15,1226 5.006,1227 0.204,1228 4.751,1229 0.017,1230 7.789,1231 0.594,1232 4.525,1233 0.139,1234 3.595,1235 4.908,1236 0.4,1237 14.252,1238 3.325,1239 2.091,1240 2.089,1241 2.12,1242 2.148,1243 1.361,1244 2.168,1245 1.738,1246 1.718,1247 1.896,1248 1.915,1249 1.216,1250 1.936,1251 1.631,1252 1.554,1253 1.888,1254 1.853,1255 1.174,1256 1.872,1257 1.483,1258 1.439,1259 1.691,1260 1.633,1261 0.781,1262 1.665,1263 1.326,1264 1.321,1265 1.435,1266 1.476,1267 0.624,1268 1.528,1269 1.086,1270 1.018,1271 1.409,1272 1.337,1273 0.536,1274 1.373,1275 1.007,1276 0.895,1277 1.172,1278 1.29,1279 0.399,1280 1.329,1281 0.708,1282 0.619,1283 1.105,1284 0.982,1285 0.344,1286 1.044,1287 3.892,1289 5.242,1291 6.804,1292 2.708,1293 8.471,1294 5.094,1295 10.196,1297 3.858,1303 2.922,1305 3.283,1308 -0.051,1309 1.627,1314 26.422,1315 70.336,1316 147.607,1317 197.555,1318 213.82,1319 213.82,1320 213.82,1321 46.67,1322 6.864,1323 62.3,1324 70.68,1325 19,1326 12.545,1327 3.807,1328 3.087,1329 34.076,1330 59,1331 50,1332 0.293,1333 166.937,1334 282.37,1335 399.086,1336 7764,1338 15.742,1339 0.716,1340 0.624,1341 15.992,1342 13.728,1343 10.515,1344 0.438,1345 0.376,1346 7.607,1347 9.41,1348 7.241,1349 6.028,1350 11.304,1351 9.015,1352 9.826,1353 0.281,1354 0.22,1355 11.108,1356 7.692,1357 8.263,1358 0.172,1359 0.13,1360 9.602,1361 6.241,1362 7.147,1363 0.112,1364 0.078,1365 8.565,1366 5.021,1367 5.574,1368 0.071,1369 0.044,1370 6.783,1371 3.466,1372 0.43,1373 73.491,1374 0.253,1375 20.831,1376 0.901,1377 118,1378 325.955,1379 167.718,1380 336.662,1381 459.78,1382 310,1383 142,1384 311.625,1385 203.207,1386 354.758,1387 522.04,1388 332,1389 6.2}
{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 3,238 1,241 2,243 3,246 2,249 6,250 3,253 2,255 2,258 3,268 1,269 1,272 4,276 2486,277 22.408,278 22.408,279 22.408,280 22.408,281 22.408,282 19.762,283 36.58,284 12.742,285 23.106,286 18.766,287 18.766,288 18.766,289 18.766,290 18.766,291 14.563,292 61.621,293 6.079,294 20.019,295 3.779,296 1.7,297 0.689,298 0.405,299 0.368,300 0.368,301 4.274,306 1,307 939,308 4.743,311 92.93,312 342.611,315 159.647,319 1.954,320 69.355,323 0.75,324 0.67,325 0.83,326 0.7,328 0.83,329 1,330 0.68,331 81,332 441,333 4.782,334 4.47,335 7.249,336 4.311,337 3.384,338 4.543,339 3.825,340 12.246,341 3.147,342 4.553,343 4.38,344 7.219,345 4.253,346 3.37,347 4.065,348 1.987,349 12.041,350 2.984,351 4.341,352 3.683,353 6.259,354 3.993,355 3.009,356 3.952,357 0.657,358 9.524,359 2.955,360 4.151,361 3.099,362 6.15,363 3.697,364 2.74,365 3.77,366 0.4,367 8.933,368 2.619,369 3.916,370 2.962,371 5.738,372 3.543,373 2.638,374 3.224,375 0.4,376 8.008,377 2.401,378 3.637,379 2.812,380 5.416,381 3.262,382 2.327,383 2.92,384 0.324,385 7.052,386 2.132,387 3.338,388 2.512,389 4.956,390 2.956,391 1.998,392 2.514,394 5.777,395 1.895,396 3.181,397 2.162,398 4.753,399 2.756,400 1.778,401 2.374,403 5.096,404 1.712,405 2.987,406 1.978,407 4.734,408 2.592,409 1.652,410 2.14,412 4.807,413 1.542,414 2.915,415 1.792,416 4.406,417 2.5,418 1.514,419 2.074,421 4.275,422 1.491,423 2.874,424 1.629,425 4.186,426 2.446,427 1.483,428 2.007,430 3.565,431 1.422,432 2.712,433 1.454,434 3.784,435 2.219,436 1.298,437 1.794,439 3.12,440 1.181,441 2.113,442 1.048,443 3.546,444 1.726,445 0.793,446 1.002,448 1.913,449 0.737,450 1.819,451 0.82,452 3.22,453 1.528,454 0.603,455 0.708,457 1.456,458 0.556,459 1.739,460 0.755,461 3.196,462 1.469,463 0.507,464 0.604,466 1.297,467 0.486,468 15.99,469 0.457,470 1.344,471 0.038,472 48.5,473 1.386,474 24.5,475 0.7,476 24,477 0.686,478 28.887,479 0.825,480 39.21,481 0.713,482 44.312,483 1.266,484 9.603,485 0.274,486 6.811,487 0.195,488 0.179,489 0.083,490 0.306,493 3,496 0.608,497 1.223,498 0.716,499 1.255,500 0.621,501 0.935,502 0.46,503 0.784,504 0.838,505 0.976,506 0.416,507 0.863,508 0.94,509 1.124,510 1.066,511 1.181,512 0.859,513 1.12,514 0.797,515 0.681,516 0.936,517 0.827,518 0.815,519 1.032,520 0.852,521 1.008,522 1.077,523 1.155,524 0.764,525 1.081,526 0.975,527 0.795,528 1.009,529 0.816,530 1.007,531 0.947,532 0.986,533 1.112,534 0.728,535 0.832,536 0.921,537 0.814,538 0.989,539 1.139,540 0.795,541 0.913,542 1.013,543 0.899,544 10.5,545 0.285,546 4.667,547 3.417,548 2.084,549 1.459,550 0.894,551 0.849,552 0.689,553 0.624,554 17627,555 67899,556 1.994,557 36.4,559 13,561 2,562 3,563 2,567 1.77,568 1.81,569 3.588,570 0.962,577 110.136,578 2.002,579 4.081,580 5.093,581 5.377,582 5.413,583 5.413,584 3.065,585 4.686,586 5.103,587 3.807,588 2265.17,589 8.975,590 35659.4,595 317.975,596 1.763,597 5.017,598 0.276,599 0.007,600 0.082,601 0.061,602 0.039,603 0.03,604 0.019,605 0.017,606 0.013,607 0.013,608 0.557,609 0.33,610 0.75,611 1.016,612 189.229,613 -0.04,614 -0.2,615 0.14,616 -0.113,617 -0.114,618 0.003,619 0.375,620 0.263,621 0.068,622 0.057,623 0.378,624 0.059,625 -0.195,626 -0.264,627 -0.193,628 -0.202,629 -0.116,630 -0.177,631 0.094,632 0.255,633 -0.061,634 0.044,635 0.018,636 -0.109,637 -0.094,638 -0.153,639 -0.065,640 -0.138,641 -0.046,642 -0.044,643 -0.051,644 0.084,645 -0.06,646 0.09,647 -0.104,648 0.051,649 -0.102,650 -0.179,651 0.17,652 0.07,653 -0.085,654 0.193,655 0.124,656 0.086,657 0.103,658 0.028,659 0.044,660 0.004,661 5.984,662 5.604,663 0.6,664 36.485,665 1.043,666 1.152,667 2.618,668 6.856,669 0.672,670 3.664,671 4.06,672 4.263,673 4.511,674 4.691,675 4.745,676 4.883,677 5.037,678 5.075,679 5.215,680 7.658,681 0.67,682 507.55,683 3.664,684 5.252,685 6.098,686 7.004,687 7.867,688 8.77,689 9.64,690 10.54,691 11.414,692 12.312,693 12.7,698 1,699 1,700 1,701 1,703 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 7,797 0.75,798 3,809 1,810 1,815 1,816 3,819 1,829 1,843 3,845 1,847 2,849 3,851 35,855 1,858 2,860 3,864 1,865 1,873 3,874 5.5,877 3,881 19.333,882 10.479,883 7.278,884 2.884,886 3.702,887 1.459,888 1.002,889 6.694,890 11.775,891 3.932,892 4.58,893 5.026,894 5.571,895 6.08,896 6.249,897 6.584,898 6.97,899 7.233,900 7.636,901 1,902 56,903 13.822,905 6.844,906 8.405,907 23.438,909 19.304,911 2.905,912 101.667,916 200.109,917 125.6,918 105.907,920 69.458,921 44.88,922 5.807,923 119.792,924 269.567,925 150.788,926 15.587,927 22.651,928 53.189,929 166.072,930 97.575,931 6.555,932 176.567,933 7.76,934 200.109,935 225.7,936 114.338,937 5.807,939 200.109,940 114.338,943 68.415,944 88.917,945 74.175,947 244.989,948 175.365,949 125.6,951 5.807,952 207.868,953 30.97,954 82.581,955 54.032,956 164.695,957 200.109,958 220.246,959 125.6,961 0.607,962 0.334,963 0.171,964 0.091,965 28,966 14,967 0.121,968 7,969 1,970 1.095,971 4.383,972 333.241,973 0.095,974 21,975 172.77,980 1,981 24.864,982 9.422,983 5.706,985 220.246,986 10.128,987 11.817,991 0.639,993 54.032,994 545.954,995 50,998 -3.64,1000 35.375,1004 -0.147,1007 57.378,1008 63.377,1009 0.346,1010 0.706,1011 0.881,1012 0.93,1013 0.936,1014 0.936,1015 5.218,1016 1.778,1017 6.168,1018 5.777,1019 4.745,1020 5.268,1021 3.378,1022 7.052,1023 4.62,1024 6.484,1025 1.652,1026 7.789,1027 5.096,1028 4.691,1029 5.407,1030 3.979,1031 8.326,1032 4.439,1033 7.85,1034 1.514,1035 9.522,1036 4.807,1037 6.491,1038 7.549,1039 5.512,1040 11.325,1041 6.227,1042 9.25,1043 1.483,1044 11.322,1045 4.275,1046 7.179,1047 8.416,1048 6.718,1049 13.356,1050 6.783,1051 10.68,1052 1.298,1053 13.165,1054 3.565,1055 8.564,1056 10.145,1057 8.081,1058 15.989,1059 8.137,1060 12.13,1061 0.793,1062 15.037,1063 3.12,1064 9.551,1065 11.325,1066 9.397,1067 18.299,1068 9.007,1069 13.597,1070 0.603,1071 16.931,1072 1.913,1073 10.802,1074 12.901,1075 10.74,1076 20.83,1077 10.204,1078 3.384,1079 0.507,1080 18.841,1081 1.456,1082 11.912,1083 14.228,1084 12.077,1085 23.248,1086 11.21,1087 3.37,1088 12.246,1089 20.764,1090 1.297,1091 13.122,1092 15.742,1093 13.418,1094 25.75,1095 12.349,1096 3.009,1097 12.041,1098 22.697,1099 4.543,1100 14.284,1101 17.143,1102 14.759,1103 28.212,1104 13.415,1105 2.74,1106 9.524,1107 24.638,1108 4.065,1109 15.484,1110 18.634,1111 16.1,1112 30.706,1113 14.535,1114 2.638,1115 8.933,1116 26.585,1117 3.952,1118 16.669,1119 20.074,1120 17.441,1121 33.187,1122 15.628,1123 2.327,1124 8.008,1125 28.538,1126 3.77,1127 17.87,1128 21.559,1129 18.783,1130 35.681,1131 16.743,1132 1.998,1133 7.052,1134 30.495,1135 3.224,1136 19.066,1137 23.021,1138 20.125,1139 38.171,1140 17.849,1141 16985,1142 33557,1143 24.156,1144 36.955,1145 58.647,1146 59.497,1147 59.703,1148 58.504,1149 58.306,1150 75.516,1151 15.187,1152 178.544,1153 54.62,1154 5.651,1155 6.47,1156 6.932,1157 5.386,1158 5.384,1159 7.543,1160 5.335,1161 19.963,1162 5.147,1163 22.665,1164 1.543,1165 1.566,1166 1.571,1167 1.54,1168 1.534,1169 1.987,1170 0.4,1171 4.699,1172 1.437,1173 4.056,1174 4.08,1175 4.722,1176 3.979,1177 8.513,1178 3.939,1179 4,1180 4.013,1181 3.984,1182 3.916,1183 7.999,1184 3.879,1185 3.884,1186 3.917,1187 3.879,1188 3.749,1189 7.999,1190 3.736,1191 3.776,1192 3.78,1193 3.787,1194 3.667,1195 7.716,1196 3.648,1197 3.474,1198 3.518,1199 3.431,1200 3.276,1201 7.429,1202 3.299,1203 3.285,1204 3.359,1205 3.277,1206 3.043,1207 6.999,1208 3.048,1209 3.231,1210 3.297,1211 3.118,1212 2.934,1213 4.997,1214 2.994,1215 3.159,1216 3.26,1217 2.97,1218 2.92,1219 4.863,1220 2.903,1221 0.126,1222 0.118,1223 0.191,1224 0.113,1225 0.089,1226 4.782,1227 0.12,1228 4.47,1229 0.101,1230 7.249,1231 0.322,1232 4.311,1233 0.083,1234 3.384,1235 4.543,1236 3.825,1237 12.246,1238 3.147,1239 1.91,1240 1.886,1241 1.994,1242 2.06,1243 1.158,1244 2.058,1245 1.89,1246 1.868,1247 1.972,1248 2.009,1249 1.15,1250 2.006,1251 1.756,1252 1.731,1253 1.802,1254 1.918,1255 0.979,1256 1.911,1257 1.663,1258 1.67,1259 1.662,1260 1.797,1261 0.851,1262 1.84,1263 1.415,1264 1.376,1265 1.597,1266 1.67,1267 0.744,1268 1.64,1269 1.215,1270 1.136,1271 1.531,1272 1.478,1273 0.612,1274 1.487,1275 1.158,1276 1.062,1277 1.467,1278 1.452,1279 0.574,1280 1.476,1281 1.114,1282 1.051,1283 1.236,1284 1.434,1285 0.296,1286 1.364,1287 4.344,1289 5.72,1290 2.398,1291 7.268,1292 4.727,1293 8.892,1294 6.804,1295 10.557,1297 2.294,1299 40.812,1303 0.01,1305 8.172,1309 0.94,1310 -4.734,1314 36.846,1315 110.136,1316 224.475,1317 280.1,1318 295.71,1319 297.71,1320 297.71,1321 98.569,1322 8.073,1323 129.21,1324 137.59,1325 23,1326 12.84,1327 4.459,1328 3.7,1329 59.334,1330 156,1331 171,1332 0.176,1333 227.636,1334 403.41,1335 547.193,1336 39726,1337 5.5,1338 25.38,1339 0.725,1340 0.552,1341 23.13,1342 19.328,1343 16.414,1344 0.432,1345 0.316,1346 10.088,1347 14.681,1348 9.716,1349 8.008,1350 16.097,1351 12.021,1352 16.864,1353 0.296,1354 0.171,1355 16.279,1356 9.759,1357 12.413,1358 0.177,1359 0.091,1360 12.471,1361 6.358,1362 10.196,1363 0.113,1364 0.043,1365 9.722,1366 3.887,1367 8.013,1368 0.074,1369 0.024,1370 7.978,1371 2.559,1372 0.278,1373 114.441,1374 0.203,1375 32.13,1376 0.482,1377 190,1378 825.979,1379 260.761,1380 732.386,1381 955.62,1382 672,1383 222,1384 652.937,1385 292.737,1386 672.364,1387 994.15,1388 626,1389 6.3}
{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 11,237 3,238 7,241 1,243 5,246 13,249 1,250 7,253 1,255 1,258 10,263 1,264 10,267 1,268 1,269 1,272 14,276 4620,277 30.032,278 30.032,279 30.032,280 30.032,281 30.032,282 26.078,283 30.357,284 18.052,285 30.882,286 24.323,287 24.323,288 24.323,289 24.323,290 24.323,291 18.386,292 47.09,293 8.692,294 25.713,295 4.569,296 2.438,297 1.402,298 0.717,299 0.528,300 0.528,301 4.514,306 1,307 1652,308 3.464,311 209.351,312 687.437,314 170.28,319 2.852,320 30.152,323 0.75,324 0.5,325 0.83,326 0.5,328 0.83,329 1,330 0.63,331 91.5,332 735,333 4.738,334 3.628,335 7.021,336 4.267,337 3.327,338 4.68,339 1.987,340 12.063,341 3.144,342 4.167,343 3.328,344 6.143,345 3.825,346 2.878,347 3.759,348 0.86,349 9.058,350 2.731,351 4.127,352 3.126,353 6.027,354 3.735,355 2.759,356 3.744,357 0.8,358 8.634,359 2.695,360 4.04,361 2.838,362 5.815,363 3.61,364 2.679,365 3.625,366 0.4,367 8.149,368 2.574,369 3.955,370 2.72,371 5.566,372 3.564,373 2.591,374 3.475,375 0.324,376 7.588,377 2.44,378 3.732,379 2.601,380 5.502,381 3.346,382 2.411,383 3.105,385 7.317,386 2.25,387 3.646,388 2.49,389 5.306,390 3.272,391 2.3,392 2.944,394 6.806,395 2.219,396 3.443,397 2.321,398 5.044,399 2.998,400 2.055,401 2.736,403 5.983,404 1.942,405 3.309,406 2.25,407 4.684,408 2.892,409 1.899,410 2.564,412 5.07,413 1.854,414 2.974,415 2.039,416 4.543,417 2.696,418 1.772,419 2.105,421 4.499,422 1.632,423 2.905,424 1.561,425 4.42,426 2.427,427 1.447,428 2.081,430 4.185,431 1.418,432 2.874,433 1.556,434 4.344,435 2.341,436 1.419,437 1.987,439 3.85,440 1.326,441 2.83,442 1.461,443 3.575,444 2.322,445 1.353,446 1.954,448 2.987,449 1.274,450 2.657,451 1.411,452 3.525,453 2.148,454 1.182,455 1.728,457 2.71,458 1.138,459 2.612,460 1.256,461 3.498,462 2.041,463 1.147,464 1.666,466 2.611,467 1.016,468 20.8,469 0.484,470 0.824,471 0.019,472 62.25,473 1.448,474 33,475 0.767,476 29.25,477 0.68,478 35.686,479 0.83,480 43.4,481 0.603,482 51.415,483 1.196,484 12.231,485 0.284,486 8.961,487 0.208,488 0.016,490 0.303,496 0.851,497 1.272,498 0.708,499 0.943,500 0.638,501 0.856,502 1.015,503 1.134,504 0.908,505 1.003,506 0.701,507 0.942,508 1.22,509 1.008,510 0.968,511 0.881,512 1.143,513 0.947,514 0.803,515 1.11,516 0.789,517 0.945,518 0.765,519 0.974,520 1.035,521 0.951,522 0.844,523 0.872,524 1.318,525 0.888,526 1.129,527 0.993,528 1.068,529 0.977,530 1.192,531 0.933,532 0.916,533 1.105,534 1.041,535 1.078,536 0.932,537 1.025,538 0.875,539 1.05,540 1.031,541 0.976,542 0.843,543 0.945,544 7,545 0.287,546 3.333,547 2.694,548 1.864,549 1.074,550 0.974,551 0.522,552 0.545,553 0.24,554 37147,555 93798,556 2.225,557 40.3,559 22,560 2,561 1,562 2,563 2,567 1.817,568 2.168,569 4.006,570 0.114,577 115.237,578 1.601,579 3.732,580 4.768,581 5.453,582 5.642,583 5.642,584 3.489,585 4.961,586 5.39,587 4.204,588 3796.62,589 9.544,590 70880.2,595 444.235,596 1.031,597 5.392,598 0.143,599 0.005,600 0.049,601 0.04,602 0.028,603 0.015,604 0.015,605 0.009,606 0.009,607 0.004,608 0.317,609 0.17,610 0.75,611 0.252,612 250.255,613 -0.044,614 -0.179,615 0.07,616 -0.026,617 -0.043,618 0.01,619 0.056,620 -0.051,621 -0.012,622 -0.065,623 0.028,624 -0.057,625 -0.142,626 0.019,627 -0.079,628 0.034,629 -0.124,630 -0.016,631 0.005,632 -0.116,633 0.063,634 -0.034,635 0.104,636 -0.004,637 0.002,638 0.057,639 0.1,640 0.077,641 -0.006,642 0.073,643 -0.07,644 0.033,645 -0.004,646 0.042,647 -0.051,648 0.038,649 0.039,650 -0.072,651 -0.013,652 -0.074,653 -0.005,654 -0.06,656 -0.005,657 -0.031,658 0.002,659 -0.017,660 0.019,661 1.737,662 5.744,663 0.884,664 66.581,665 1.002,666 1.117,667 3.532,668 12.478,669 0.708,670 3.912,671 4.234,672 4.533,673 4.852,674 5.088,675 5.198,676 5.403,677 5.553,678 5.694,679 5.826,680 9.626,681 0.674,682 587.76,683 3.912,684 5.46,685 6.319,686 7.203,687 8.079,688 8.971,689 9.857,690 10.756,691 11.649,692 12.553,693 9.7,699 1,700 1,701 2,703 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 7,797 0.857,798 2,810 1,815 2,816 5,818 1,829 1,842 1,843 6,845 1,851 43,858 5,860 2,861 1,864 1,868 1,874 2.8,877 1,878 1,881 19.833,882 12.917,883 9.333,884 4.254,886 6.374,887 1.669,888 1.048,889 8.038,890 15.902,891 4.212,892 4.828,893 5.439,894 6.09,895 6.638,896 6.999,897 7.517,898 7.949,899 8.394,900 8.807,901 0.917,902 67,903 15.879,905 6.831,906 7.597,907 30.686,909 25.585,911 2.097,912 90.167,916 317.82,917 235.135,918 90.789,920 36.145,922 31.278,923 203.857,924 353.965,925 90.789,927 33.941,928 149.364,929 102.977,930 51.624,931 28.198,932 313.784,934 317.82,935 294.646,936 36.145,937 31.278,939 317.82,940 25.145,941 11,943 69.699,944 174.591,945 50.357,946 31.278,947 317.82,948 126.934,949 235.135,952 317.82,953 76.724,954 162.822,955 36.022,956 86.501,957 317.82,958 126.934,959 235.135,961 0.575,962 0.335,963 0.193,964 0.106,965 34,966 13,967 0.103,968 8,969 1,970 1.053,971 5.392,972 454.754,973 0.053,974 38,975 221.329,977 1,981 27.566,982 12.539,983 6.262,984 0.857,985 125.647,986 33.426,987 14.315,990 1.559,991 7.516,993 36.022,994 679.889,995 66.5,1000 12.744,1004 -0.07,1007 72.163,1008 80.394,1009 0.259,1010 0.605,1011 0.773,1012 0.884,1013 0.914,1014 0.914,1015 5.439,1016 2.055,1017 6.282,1018 6.806,1019 4.92,1020 5.517,1021 2.373,1022 7.084,1023 4.819,1024 6.636,1025 1.899,1026 7.822,1027 5.983,1028 4.369,1029 5.198,1030 1.668,1031 7.936,1032 4.225,1033 7.933,1034 1.772,1035 9.463,1036 5.07,1037 6.494,1038 7.719,1039 3.17,1040 11.084,1041 6.299,1042 9.268,1043 1.447,1044 11.167,1045 4.499,1046 6.815,1047 8.29,1048 3.181,1049 12.854,1050 6.564,1051 10.637,1052 1.419,1053 12.915,1054 4.185,1055 8.357,1056 10.234,1057 4.326,1058 15.512,1059 8.065,1060 12.032,1061 1.353,1062 14.696,1063 3.85,1064 9.101,1065 11.256,1066 4.656,1067 17.688,1068 8.746,1069 13.448,1070 1.182,1071 16.501,1072 2.987,1073 10.402,1074 12.951,1075 5.604,1076 20.204,1077 10.005,1078 3.327,1079 1.147,1080 18.326,1081 2.71,1082 11.36,1083 14.218,1084 6.091,1085 22.559,1086 10.898,1087 2.878,1088 12.063,1089 20.167,1090 2.611,1091 12.565,1092 15.805,1093 6.928,1094 25.041,1095 12.057,1096 2.759,1097 9.058,1098 22.023,1099 4.68,1100 13.631,1101 17.202,1102 7.501,1103 27.472,1104 13.06,1105 2.679,1106 8.634,1107 23.892,1108 3.759,1109 14.805,1110 18.748,1111 8.273,1112 29.952,1113 14.182,1114 2.591,1115 8.149,1116 25.77,1117 3.744,1118 15.928,1119 20.213,1120 8.894,1121 32.415,1122 15.241,1123 2.411,1124 7.588,1125 27.659,1126 3.625,1127 17.097,1128 21.747,1129 9.631,1130 34.897,1131 16.355,1132 2.3,1133 7.317,1134 29.555,1135 3.475,1136 18.249,1137 23.247,1138 10.279,1139 37.375,1140 17.446,1141 33514,1142 53511,1143 34.383,1144 50.972,1145 73.698,1146 74.444,1147 74.016,1148 73.002,1149 73.111,1150 98.355,1151 8.742,1152 207.399,1153 69.372,1154 5.738,1155 5.628,1156 6.823,1157 5.412,1158 5.327,1159 7.68,1160 3.497,1161 19.437,1162 5.144,1163 9.183,1164 1.504,1165 1.519,1166 1.511,1167 1.49,1168 1.492,1169 2.007,1170 0.178,1171 4.233,1172 1.416,1173 4.161,1174 4.196,1175 4.359,1176 4.068,1177 7.429,1178 4.057,1179 3.962,1180 4.003,1181 3.931,1182 3.873,1183 5.102,1184 3.868,1185 3.929,1186 3.962,1187 3.875,1188 3.849,1189 4.925,1190 3.849,1191 3.849,1192 3.881,1193 3.819,1194 3.792,1195 4.762,1196 3.776,1197 3.765,1198 3.819,1199 3.754,1200 3.614,1201 4.735,1202 3.618,1203 3.657,1204 3.702,1205 3.554,1206 3.475,1207 4.695,1208 3.484,1209 3.463,1210 3.497,1211 3.413,1212 3.276,1213 4.579,1214 3.294,1215 3.175,1216 3.215,1217 3.27,1218 3.103,1219 4.125,1220 3.081,1221 0.097,1222 0.074,1223 0.143,1224 0.087,1225 0.068,1226 4.738,1227 0.096,1228 3.628,1229 0.041,1230 7.021,1231 0.246,1232 4.267,1233 0.064,1234 3.327,1235 4.68,1236 1.987,1237 12.063,1238 3.144,1239 1.944,1240 1.917,1241 2.051,1242 2.066,1243 1.236,1244 2.057,1245 1.92,1246 1.887,1247 2.033,1248 2.034,1249 1.17,1250 2.037,1251 1.901,1252 1.873,1253 2.007,1254 1.991,1255 1.124,1256 1.997,1257 1.773,1258 1.731,1259 1.874,1260 1.94,1261 1.024,1262 1.928,1263 1.628,1264 1.574,1265 1.825,1266 1.833,1267 0.918,1268 1.834,1269 1.471,1270 1.42,1271 1.592,1272 1.694,1273 0.825,1274 1.664,1275 1.403,1276 1.371,1277 1.576,1278 1.62,1279 0.709,1280 1.603,1281 1.35,1282 1.339,1283 1.513,1284 1.43,1285 0.637,1286 1.461,1287 4.595,1289 5.916,1290 3.045,1291 7.428,1292 5.416,1293 9.027,1294 7.535,1295 10.673,1303 3.601,1305 6.381,1306 5.472,1309 2.321,1314 48.561,1315 115.237,1316 268.716,1317 343.322,1318 392.625,1319 406.235,1320 406.235,1321 59.813,1322 9.529,1323 96.68,1324 124.92,1325 40,1326 13.075,1327 5.129,1328 4.209,1329 58.258,1330 238,1331 280,1332 0.112,1333 295.409,1334 498.39,1335 712.558,1336 262428,1338 29.012,1339 0.675,1340 0.561,1341 29.365,1342 24.128,1343 21.192,1344 0.432,1345 0.306,1346 14.017,1347 20.009,1348 13.69,1349 11.271,1350 21.646,1351 15.005,1352 18.912,1353 0.278,1354 0.163,1355 19.496,1356 11.066,1357 16.149,1358 0.176,1359 0.087,1360 16.773,1361 8.044,1362 14.356,1363 0.113,1364 0.047,1365 15.064,1366 5.933,1367 11.665,1368 0.072,1369 0.025,1370 12.279,1371 3.962,1372 0.18,1373 136.469,1374 0.171,1375 38.548,1376 0.297,1377 234,1378 643.223,1379 277.808,1380 649.404,1381 910.02,1382 614,1383 277,1384 672.969,1385 316.622,1386 696.182,1387 1024.59,1388 658,1389 6.3}
{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 11,237 1,238 8,241 2,243 5,246 12,249 1,250 7,255 1,258 11,263 4,264 9,267 1,268 1,269 1,272 13,276 4506,277 30.032,278 30.032,279 30.032,280 30.032,281 30.032,282 26.078,283 30.357,284 18.093,285 30.882,286 24.34,287 24.34,288 24.34,289 24.34,290 24.34,291 18.392,292 49.59,293 8.719,294 25.728,295 4.569,296 2.438,297 1.356,298 0.644,299 0.444,300 0.417,301 4.514,306 1,307 1583,308 3.464,311 204.642,312 664.425,314 166.47,319 2.795,320 30.368,323 0.75,324 0.5,325 0.83,326 0.5,328 0.83,329 1,330 0.63,331 91.5,332 705,333 4.738,334 3.628,335 7.021,336 4.267,337 3.327,338 4.68,339 1.987,340 12.063,341 3.144,342 4.196,343 3.328,344 6.17,345 3.853,346 2.905,347 3.778,348 0.86,349 9.189,350 2.759,351 4.127,352 3.143,353 6.027,354 3.735,355 2.758,356 3.75,357 0.8,358 8.634,359 2.695,360 4.036,361 2.825,362 5.813,363 3.601,364 2.664,365 3.634,366 0.4,367 8.13,368 2.572,369 3.954,370 2.72,371 5.564,372 3.556,373 2.59,374 3.475,375 0.324,376 7.583,377 2.417,378 3.71,379 2.601,380 5.493,381 3.324,382 2.391,383 3.094,385 7.279,386 2.229,387 3.614,388 2.49,389 5.305,390 3.268,391 2.296,392 2.875,394 6.802,395 2.213,396 3.434,397 2.315,398 5.047,399 2.997,400 2.055,401 2.708,403 5.99,404 1.941,405 3.308,406 2.236,407 4.685,408 2.892,409 1.899,410 2.561,412 5.071,413 1.854,414 2.967,415 2.029,416 4.544,417 2.653,418 1.73,419 2.115,421 4.392,422 1.592,423 2.905,424 1.561,425 4.368,426 2.427,427 1.448,428 2.084,430 4.138,431 1.418,432 2.864,433 1.55,434 4.336,435 2.344,436 1.423,437 1.982,439 3.846,440 1.327,441 2.829,442 1.459,443 3.575,444 2.326,445 1.354,446 1.951,448 2.987,449 1.282,450 2.664,451 1.4,452 3.549,453 2.212,454 1.259,455 1.733,457 2.811,458 1.195,459 2.646,460 1.256,461 3.511,462 2.145,463 1.172,464 1.706,466 2.613,467 1.135,468 20.8,469 0.484,470 0.824,471 0.019,472 62.25,473 1.448,474 33,475 0.767,476 29.25,477 0.68,478 36.003,479 0.837,480 43.4,481 0.603,482 51.705,483 1.202,484 12.231,485 0.284,486 8.961,487 0.208,488 0.016,490 0.303,496 0.851,497 1.272,498 0.708,499 0.943,500 0.638,501 0.856,502 1.015,503 1.134,504 0.908,505 1.003,506 0.7,507 0.942,508 1.22,509 1.008,510 0.968,511 0.881,512 1.151,513 0.947,514 0.764,515 1.107,516 0.765,517 0.942,518 0.743,519 0.962,520 1.12,521 0.982,522 0.854,523 0.856,524 1.338,525 0.871,526 1.116,527 0.982,528 1.08,529 0.986,530 1.176,531 0.953,532 0.89,533 1.143,534 1.012,535 1.069,536 0.902,537 1.017,538 1.087,539 0.983,540 1.047,541 0.911,542 0.949,543 0.903,544 7,545 0.333,546 3.111,547 2.819,548 1.864,549 1.074,550 0.955,551 0.454,552 0.493,553 0.267,554 36139,555 91438,556 2.225,557 40.3,559 22,560 2,561 1,562 2,563 2,567 1.818,568 2.168,569 3.962,570 0.114,577 115.237,578 1.601,579 3.732,580 4.813,581 5.526,582 5.725,583 5.753,584 3.472,585 5.054,586 5.392,587 4.15,588 3747.48,589 9.553,590 69173.3,595 444.235,596 1.031,597 5.392,598 0.143,599 0.006,600 0.046,601 0.042,602 0.028,603 0.015,604 0.014,605 0.007,606 0.008,607 0.004,608 0.313,609 0.17,610 0.75,611 0.252,612 249.226,613 -0.044,614 -0.179,615 0.07,616 -0.026,617 -0.043,618 0.01,619 0.056,620 -0.051,621 -0.012,622 -0.065,623 0.029,624 -0.057,625 -0.142,626 0.019,627 -0.079,628 0.034,629 -0.132,630 -0.016,631 0.045,632 -0.113,633 0.088,634 -0.031,635 0.124,636 0.008,637 -0.049,638 0.045,639 0.085,640 0.082,641 -0.028,642 0.075,643 -0.044,644 0.061,645 -0.032,646 0.019,647 -0.052,648 0.002,649 0.05,650 -0.116,651 0.007,652 -0.073,653 0.009,654 -0.047,655 -0.114,656 0.061,657 -0.044,658 0.058,659 -0.082,660 0.058,661 1.737,662 5.755,663 0.884,664 62.919,665 1.002,666 1.117,667 3.532,668 12.478,669 0.708,670 3.912,671 4.234,672 4.533,673 4.86,674 5.094,675 5.204,676 5.407,677 5.557,678 5.7,679 5.832,680 9.336,681 0.674,682 587.76,683 3.912,684 5.46,685 6.319,686 7.204,687 8.081,688 8.975,689 9.861,690 10.761,691 11.655,692 12.56,693 9.7,699 1,700 1,701 2,703 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 7,797 0.857,798 2,810 1,815 2,816 5,818 1,829 1,842 1,843 6,845 1,851 43,858 5,860 2,861 1,864 1,868 1,874 2.8,877 1,878 1,881 19.833,882 12.917,883 9.333,884 4.254,886 6.423,887 1.674,888 1.048,889 8.038,890 15.952,891 4.212,892 4.828,893 5.439,894 6.095,895 6.638,896 7,897 7.518,898 7.95,899 8.396,900 8.81,901 1,902 67,903 15.881,905 6.832,906 7.597,907 30.686,909 25.585,911 2.097,912 90.167,916 317.82,917 235.135,918 90.789,920 36.145,922 31.278,923 203.857,924 353.965,925 90.789,927 33.941,928 149.364,929 102.977,930 51.624,931 28.198,932 313.784,934 317.82,935 294.646,936 36.145,937 31.278,939 317.82,940 25.145,941 11,943 69.699,944 174.591,945 50.357,946 31.278,947 317.82,948 126.934,949 235.135,952 317.82,953 76.724,954 162.822,955 36.022,956 86.501,957 317.82,958 126.934,959 235.135,961 0.575,962 0.334,963 0.195,964 0.107,965 34,966 13,967 0.103,968 8,969 1,970 1.053,971 5.346,972 458.459,973 0.053,974 38,975 225.329,977 1,981 27.566,982 12.539,983 6.262,984 0.856,985 125.647,986 33.416,987 14.369,990 1.559,991 7.486,993 36.022,994 679.889,995 66.5,1000 12.755,1004 -0.071,1007 72.163,1008 80.394,1009 0.259,1010 0.605,1011 0.78,1012 0.896,1013 0.928,1014 0.932,1015 5.439,1016 2.055,1017 6.282,1018 6.802,1019 4.92,1020 5.517,1021 2.373,1022 7.086,1023 4.819,1024 6.636,1025 1.899,1026 7.822,1027 5.99,1028 4.369,1029 5.198,1030 1.668,1031 7.936,1032 4.225,1033 7.933,1034 1.73,1035 9.463,1036 5.071,1037 6.494,1038 7.719,1039 3.17,1040 11.09,1041 6.299,1042 9.268,1043 1.448,1044 11.168,1045 4.392,1046 6.815,1047 8.29,1048 3.181,1049 12.859,1050 6.564,1051 10.637,1052 1.423,1053 12.917,1054 4.138,1055 8.358,1056 10.235,1057 4.326,1058 15.521,1059 8.067,1060 12.032,1061 1.354,1062 14.698,1063 3.846,1064 9.104,1065 11.259,1066 4.656,1067 17.695,1068 8.749,1069 13.449,1070 1.259,1071 16.504,1072 2.987,1073 10.406,1074 12.954,1075 5.604,1076 20.213,1077 10.01,1078 3.327,1079 1.172,1080 18.329,1081 2.811,1082 11.366,1083 14.222,1084 6.091,1085 22.566,1086 10.905,1087 2.905,1088 12.063,1089 20.172,1090 2.613,1091 12.572,1092 15.809,1093 6.928,1094 25.048,1095 12.065,1096 2.758,1097 9.189,1098 22.028,1099 4.68,1100 13.64,1101 17.207,1102 7.501,1103 27.478,1104 13.069,1105 2.664,1106 8.634,1107 23.897,1108 3.778,1109 14.814,1110 18.752,1111 8.273,1112 29.957,1113 14.193,1114 2.59,1115 8.13,1116 25.776,1117 3.75,1118 15.937,1119 20.217,1120 8.894,1121 32.42,1122 15.253,1123 2.391,1124 7.583,1125 27.664,1126 3.634,1127 17.106,1128 21.751,1129 9.631,1130 34.901,1131 16.367,1132 2.296,1133 7.279,1134 29.561,1135 3.475,1136 18.259,1137 23.251,1138 10.279,1139 37.378,1140 17.458,1141 32648,1142 52183,1143 34.383,1144 50.972,1145 73.742,1146 74.379,1147 73.975,1148 72.922,1149 73.016,1150 98.223,1151 8.742,1152 207.131,1153 69.28,1154 5.738,1155 5.628,1156 6.823,1157 5.412,1158 5.327,1159 7.68,1160 3.497,1161 19.437,1162 5.144,1163 9.164,1164 1.505,1165 1.518,1166 1.51,1167 1.488,1168 1.49,1169 2.005,1170 0.178,1171 4.227,1172 1.414,1173 4.161,1174 4.196,1175 4.359,1176 4.068,1177 7.429,1178 4.057,1179 3.963,1180 4.004,1181 3.933,1182 3.873,1183 5.102,1184 3.869,1185 3.93,1186 3.962,1187 3.875,1188 3.849,1189 4.925,1190 3.849,1191 3.849,1192 3.881,1193 3.818,1194 3.792,1195 4.762,1196 3.776,1197 3.761,1198 3.815,1199 3.752,1200 3.613,1201 4.734,1202 3.617,1203 3.659,1204 3.704,1205 3.552,1206 3.475,1207 4.695,1208 3.484,1209 3.463,1210 3.497,1211 3.413,1212 3.276,1213 4.58,1214 3.294,1215 3.176,1216 3.216,1217 3.27,1218 3.104,1219 4.125,1220 3.081,1221 0.097,1222 0.074,1223 0.143,1224 0.087,1225 0.068,1226 4.738,1227 0.096,1228 3.628,1229 0.041,1230 7.021,1231 0.246,1232 4.267,1233 0.064,1234 3.327,1235 4.68,1236 1.987,1237 12.063,1238 3.144,1239 1.944,1240 1.917,1241 2.051,1242 2.067,1243 1.237,1244 2.058,1245 1.92,1246 1.888,1247 2.033,1248 2.034,1249 1.17,1250 2.037,1251 1.901,1252 1.873,1253 2.007,1254 1.99,1255 1.124,1256 1.997,1257 1.772,1258 1.73,1259 1.872,1260 1.939,1261 1.023,1262 1.926,1263 1.628,1264 1.574,1265 1.828,1266 1.833,1267 0.918,1268 1.835,1269 1.472,1270 1.421,1271 1.593,1272 1.696,1273 0.825,1274 1.666,1275 1.403,1276 1.371,1277 1.577,1278 1.62,1279 0.709,1280 1.603,1281 1.35,1282 1.339,1283 1.513,1284 1.43,1285 0.637,1286 1.461,1287 4.595,1289 5.916,1290 3.045,1291 7.428,1292 5.416,1293 9.028,1294 7.535,1295 10.675,1303 3.511,1305 6.418,1306 5.505,1309 2.316,1314 48.561,1315 115.237,1316 268.716,1317 346.567,1318 397.87,1319 412.235,1320 414.235,1321 59.941,1322 9.529,1323 96.68,1324 124.92,1325 40,1326 13.081,1327 5.129,1328 4.209,1329 58.174,1330 232,1331 269,1332 0.115,1333 295.409,1334 498.39,1335 712.558,1336 262428,1338 29.012,1339 0.675,1340 0.561,1341 29.365,1342 24.128,1343 21.192,1344 0.432,1345 0.306,1346 14.017,1347 20.009,1348 13.689,1349 11.272,1350 21.646,1351 15.005,1352 18.924,1353 0.278,1354 0.163,1355 19.508,1356 11.069,1357 16.081,1358 0.175,1359 0.087,1360 16.705,1361 8.023,1362 14.436,1363 0.113,1364 0.047,1365 15.143,1366 5.958,1367 11.705,1368 0.072,1369 0.025,1370 12.319,1371 3.983,1372 0.184,1373 136.469,1374 0.171,1375 38.353,1376 0.308,1377 234,1378 643.223,1379 277.808,1380 649.469,1381 910.04,1382 614,1383 277,1384 672.969,1385 316.622,1386 696.318,1387 1024.86,1388 658,1389 6.194}
{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 4,246 3,250 3,255 2,258 1,260 2,264 2,269 2,272 1,274 2,276 488,277 13.378,278 13.378,279 13.378,280 13.378,281 13.378,282 11.328,283 10.938,284 7.836,285 13.859,286 10.866,287 10.866,288 10.866,289 10.866,290 10.866,291 7.79,292 11.167,293 3.749,294 11.777,295 2.96,296 1.285,297 0.676,298 0.345,299 0.345,300 0.345,301 3.736,305 1,306 1,307 366,308 2.646,311 39.057,312 109.204,315 75.218,319 1.25,320 19.205,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 42.75,332 171,333 4.586,334 3.522,335 6.585,336 4.08,337 3.137,338 4.534,339 0.98,340 10.525,341 2.95,342 4.037,343 3.221,344 5.854,345 3.599,346 2.665,347 3.626,348 0.86,349 8.024,350 2.487,351 3.888,352 2.914,353 5.465,354 3.454,355 2.495,356 3.321,358 7.178,359 2.367,360 3.493,361 2.65,362 5.106,363 3.012,364 2.136,365 2.82,367 6.051,368 1.811,369 3.257,370 2.101,371 4.83,372 2.738,373 1.829,374 2.557,376 5.386,377 1.57,378 2.997,379 1.703,380 4.136,381 2.445,382 1.493,383 2.214,385 3.632,386 1.414,387 2.544,388 1.335,389 3.681,390 2,391 1,392 1.5,394 2.468,395 1,396 2.5,397 1,398 3.414,399 1.958,400 1,401 1.467,403 2.275,404 0.934,405 2.106,406 0.928,407 3.339,408 1.545,409 0.688,410 0.949,412 1.832,413 0.572,414 1.442,415 0.524,416 2.855,417 0.98,418 0.128,419 0.163,421 0.309,422 0.094,423 1.014,424 0.119,425 2.332,426 0.493,427 -0.356,428 -0.46,430 -0.84,431 -0.243,432 0.514,433 -0.003,434 2,435 0.058,436 -0.882,437 -1.101,439 -2,440 -0.652,441 0.5,442 -0.525,443 2,445 -1,446 -1.299,448 -2.347,449 -0.913,450 0.5,451 -1,452 2,453 -0.04,454 -1,455 -1.5,457 -2.873,458 -1,459 0.396,460 -1,461 1.715,462 -0.065,463 -1,464 -1.5,466 -3,467 -1.011,468 10.633,469 0.532,470 0.541,471 0.027,472 28.5,473 1.425,474 16,475 0.8,476 12.5,477 0.625,478 14.312,479 0.716,480 19.367,481 0.668,482 16.936,483 0.847,484 5.375,485 0.269,486 4.256,487 0.213,488 0.194,490 0.329,496 0.802,497 0.86,498 0.49,499 0.616,500 0.74,501 0.629,502 0.803,503 0.875,504 0.615,505 0.737,506 0.516,507 0.75,508 1.327,509 1.12,510 1.127,511 1.233,512 1.067,513 1.082,514 1.37,515 1.18,516 0.998,517 1.18,518 1.075,519 1.126,520 0.722,521 1.071,522 0.383,523 0.836,524 0.652,525 0.902,526 0.613,527 0.909,528 0.414,529 0.698,530 0.921,531 0.97,532 0.968,533 0.872,534 0.759,535 0.889,536 0.895,537 1.057,538 0.635,539 1.154,540 1.673,541 1.396,542 0.737,543 1.19,544 4.5,545 0.058,546 2.222,547 1.132,548 1.286,549 0.434,550 0.403,551 0.283,552 0.158,553 0.096,554 3709,555 14403,556 2.077,557 31,559 5,561 2,562 2,567 1.618,568 1.935,569 3.092,570 0.41,572 1,574 1,577 55.049,578 1.898,579 3.573,580 4.182,581 4.513,582 4.513,583 4.513,584 2.485,585 3.784,586 4.292,587 3.195,588 607.072,589 7.335,590 6117.76,591 1,592 1,593 1,594 1,595 140.881,596 1.441,597 4.248,598 0.205,599 0.019,600 0.072,601 0.039,602 0.054,603 0.02,604 0.018,605 0.019,606 0.013,607 0.012,608 0.47,609 0.5,610 1,611 0.843,612 88.066,613 -0.115,614 0.104,615 -0.007,616 0.079,617 -0.155,618 0.074,619 0.008,620 0.075,621 0.008,622 0.076,623 0.132,624 0.031,625 -0.132,626 -0.184,627 -0.145,628 -0.205,629 -0.118,630 -0.174,631 -0.226,632 -0.232,633 -0.153,634 -0.232,635 -0.188,636 -0.198,637 0.084,638 -0.126,639 0.074,640 -0.065,641 0.074,642 0.04,643 0.335,644 0.128,645 0.018,646 0.039,647 0.199,648 -0.121,649 -0.176,650 0.146,651 0.005,652 0.116,653 -0.142,654 0.035,655 0.1,656 -0.227,657 -0.048,658 -0.144,659 0.172,660 0.005,661 2.11,662 4.244,663 0.75,664 13.92,665 1.024,666 1.098,667 2.18,668 4.754,669 0.792,670 3.135,671 3.466,672 3.714,673 3.97,674 4.22,675 4.263,676 4.29,677 4.419,678 4.369,679 4.317,680 5.04,681 0.751,682 349.22,683 3.135,684 4.673,685 5.517,686 6.395,687 7.265,688 8.148,689 9.027,690 9.912,691 10.796,692 11.684,693 6.9,700 1,703 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 2,797 0.667,798 2,809 1,815 1,816 2,819 1,843 2,845 1,846 1,851 20,852 1,861 1,869 1,873 1,874 6.9,877 1,879 1,881 10.333,882 5.26,883 4.333,884 1.537,886 3.223,887 1.478,888 1.028,889 3.721,890 9.963,891 3.466,892 4.123,893 4.735,894 5.356,895 5.924,896 6.231,897 6.559,898 7.018,899 7.189,900 7.442,901 0.833,902 29,903 7.325,905 3.12,906 7.888,907 13.703,909 11.118,911 2.388,912 47.75,916 82.398,917 119.678,918 95.637,920 36.145,922 31.278,923 134.354,924 118.543,925 49.683,927 32.897,928 47.381,929 70.177,930 45.21,931 2.104,932 90.133,933 45.954,934 82.398,935 138.083,936 36.145,937 31.278,938 45.954,939 82.398,940 36.145,943 50.992,944 70.305,945 16.786,946 77.232,947 82.398,948 85.828,949 165.632,952 82.398,953 54.201,954 65.476,955 45.954,956 85.828,957 82.398,958 85.828,959 165.632,961 0.587,962 0.333,963 0.173,964 0.104,965 16,966 7,967 0.097,968 3,969 1,970 1.133,971 3.247,972 150.995,973 0.133,974 15,975 82.439,977 1,981 13.525,982 5.502,983 2.864,984 1.704,985 85.828,986 12.548,987 4.123,990 1.308,991 2.782,993 32.897,994 333.857,995 31,1000 11.244,1004 -0.444,1007 29.698,1008 31.838,1009 0.391,1010 0.736,1011 0.861,1012 0.929,1013 0.929,1014 0.929,1015 4.682,1016 1,1017 5.509,1018 2.468,1019 4.143,1020 4.808,1021 1.481,1022 6.308,1023 3.99,1024 5.916,1025 0.688,1026 7.062,1027 2.275,1028 3.761,1029 4.677,1031 7.172,1032 3.505,1033 7.234,1034 0.128,1035 8.711,1036 1.832,1037 5.727,1038 7.085,1039 1.37,1040 10.252,1041 5.448,1042 8.588,1043 -0.356,1044 10.416,1045 0.309,1046 6.133,1047 7.78,1049 11.948,1050 5.762,1051 9.972,1052 -0.882,1053 12.156,1054 -0.84,1055 7.592,1056 9.665,1057 1.275,1058 14.55,1059 7.2,1060 11.379,1061 -1,1062 13.922,1063 -2,1064 8.366,1065 10.765,1067 16.61,1068 7.89,1069 12.803,1070 -1,1071 15.707,1072 -2.347,1073 9.62,1074 12.43,1075 1.193,1076 19.046,1077 9.114,1078 3.137,1079 -1,1080 17.507,1081 -2.873,1082 10.575,1083 13.737,1085 21.27,1086 9.991,1087 2.665,1088 10.525,1089 19.32,1090 -3,1091 11.746,1092 15.307,1093 1.123,1094 23.648,1095 11.123,1096 2.495,1097 8.024,1098 21.143,1099 4.534,1100 12.791,1101 16.719,1103 25.944,1104 12.095,1105 2.136,1106 7.178,1107 22.974,1108 3.626,1109 13.931,1110 18.249,1111 1.062,1112 28.303,1113 13.187,1114 1.829,1115 6.051,1116 24.813,1117 3.321,1118 15.02,1119 19.711,1121 30.63,1122 14.208,1123 1.493,1124 5.386,1125 26.657,1126 2.82,1127 16.151,1128 21.226,1129 1.01,1130 32.983,1131 15.285,1132 1,1133 3.632,1134 28.508,1135 2.557,1136 17.263,1137 22.713,1139 35.324,1140 16.332,1141 3650,1142 7291,1143 14.622,1144 22.966,1145 33.515,1146 34.341,1147 34.169,1148 33.259,1149 33.144,1150 46.298,1151 3.68,1152 95.358,1153 30.401,1154 5.346,1155 5.522,1156 6.112,1157 5.209,1158 5.137,1159 7.534,1160 1.96,1161 17.43,1162 4.95,1163 9.617,1164 1.523,1165 1.561,1166 1.553,1167 1.512,1168 1.507,1169 2.104,1170 0.167,1171 4.334,1172 1.382,1173 4.077,1174 4.081,1175 6.88,1176 4.081,1177 7.437,1178 4.033,1179 3.868,1180 3.885,1181 4.334,1182 3.84,1183 5.031,1184 3.816,1185 3.488,1186 3.524,1187 3.748,1188 3.31,1189 4.879,1190 3.32,1191 3.076,1192 3.133,1193 3.488,1194 2.941,1195 4.764,1196 2.914,1197 3,1198 3.019,1199 3.174,1200 2.8,1201 4.251,1202 2.803,1203 2.854,1204 2.925,1205 2.886,1206 2.735,1207 4.249,1208 2.715,1209 2.742,1210 2.773,1211 2.687,1212 2.723,1213 3.674,1214 2.681,1215 2.35,1216 2.44,1217 2.564,1218 2.074,1219 3.575,1220 2.038,1221 0.208,1222 0.16,1223 0.299,1224 0.185,1225 0.143,1226 4.586,1227 0.206,1228 3.522,1229 0.045,1230 6.585,1231 0.478,1232 4.08,1233 0.134,1234 3.137,1235 4.534,1236 0.98,1237 10.525,1238 2.95,1239 1.899,1240 1.886,1241 1.961,1242 1.999,1243 1.075,1244 1.993,1245 1.809,1246 1.79,1247 1.869,1248 1.88,1249 1.014,1250 1.892,1251 1.535,1252 1.539,1253 1.538,1254 1.696,1255 0.685,1256 1.68,1257 0.963,1258 0.942,1259 1.189,1260 1.232,1261 0.218,1262 1.244,1263 0.898,1264 0.839,1265 1.181,1266 1.069,1267 0.165,1268 1.107,1269 0.886,1270 0.821,1271 1.047,1272 1.062,1273 0.057,1274 1.076,1275 0.781,1276 0.755,1277 0.889,1278 0.901,1280 0.941,1281 0.496,1282 0.433,1283 0.648,1284 0.723,1286 0.745,1287 3.807,1289 5.13,1290 2.398,1291 6.64,1292 4.727,1293 8.235,1294 6.862,1295 9.874,1296 3.372,1301 5.302,1306 5.811,1314 21.792,1315 55.049,1316 103.62,1317 121.272,1318 130.881,1319 130.881,1320 130.881,1321 27.937,1322 6.739,1323 65.21,1324 93.45,1325 17,1326 12.216,1327 4.17,1328 3.322,1329 29.947,1330 59,1331 64,1332 0.252,1333 144.09,1334 237.23,1335 343.339,1336 6717,1337 3.4,1338 14.113,1339 0.706,1340 0.629,1341 15.466,1342 12.571,1343 9.631,1344 0.438,1345 0.334,1346 5.792,1347 8.307,1348 5.557,1349 4.574,1350 10.617,1351 7.35,1352 8.952,1353 0.289,1354 0.196,1355 10.411,1356 6.08,1357 7.256,1358 0.181,1359 0.108,1360 8.708,1361 4.307,1362 5.797,1363 0.111,1364 0.056,1365 6.968,1366 2.93,1367 4.971,1368 0.074,1369 0.03,1370 6.163,1371 2.012,1372 0.386,1373 72.423,1374 0.262,1375 19.768,1376 0.715,1377 106,1378 347.943,1379 206.33,1380 394.136,1381 524.24,1382 366,1383 124,1384 342.343,1385 185.292,1386 374.158,1387 546.41,1388 352,1389 5.1}
{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 4,237 1,238 2,241 1,243 2,246 6,249 1,250 4,255 2,258 6,264 3,267 1,272 5,276 2332,277 23.297,278 23.297,279 23.297,280 23.297,281 23.297,282 21.224,283 32.22,284 13.403,285 24.188,286 19.262,287 19.262,288 19.262,289 19.262,290 19.262,291 16.042,292 48.743,293 6.384,294 20.826,295 4.239,296 2.316,297 1.39,298 0.738,299 0.615,300 0.582,301 4.294,302 1,307 1030,308 3.536,312 520.502,316 156.833,319 2.243,320 46.809,323 0.5,324 0.83,325 0.83,326 0.7,327 0.5,328 0.83,329 1,330 0.74,331 77.833,332 472,333 4.557,334 4.471,335 7.25,336 4.271,337 3.385,338 4.085,339 3.825,340 12.257,341 3.056,342 4.41,343 3.314,344 6.554,345 4.05,346 3.098,347 4.036,348 0.916,349 10.402,350 2.956,351 4.159,352 3.14,353 6.18,354 3.833,355 2.897,356 3.685,357 0.8,358 9.169,359 2.716,360 3.893,361 3.009,362 6.051,363 3.642,364 2.686,365 3.193,366 0.8,367 8.751,368 2.547,369 3.825,370 2.784,371 5.691,372 3.432,373 2.534,374 3.122,375 0.4,376 7.735,377 2.197,378 3.404,379 2.619,380 5.171,381 3.221,382 2.3,383 2.556,384 0.172,385 6.197,386 2.115,387 3.352,388 2.554,389 5.047,390 3.03,391 2.126,392 2.449,394 6.101,395 1.892,396 3.106,397 2.203,398 4.855,399 2.725,400 1.828,401 2.254,403 5.36,404 1.627,405 3.008,406 1.856,407 4.54,408 2.657,409 1.707,410 2.148,412 4.681,413 1.581,414 2.714,415 1.62,416 4.253,417 2.388,418 1.438,419 1.795,421 3.792,422 1.362,423 2.597,424 1.505,425 4.164,426 2.249,427 1.291,428 1.611,430 3.502,431 1.201,432 2.522,433 1.286,434 4.014,435 2.169,436 1.208,437 1.526,439 3.246,440 1.157,441 2.5,442 1.146,443 3.417,444 1.967,445 1,446 1.5,448 2.275,449 0.965,450 2.175,451 1.005,452 3.414,453 1.958,454 1,455 1.121,457 2.275,458 0.955,459 2,460 1,461 3.414,462 1.846,463 0.907,464 1,466 2.213,467 0.85,468 16.471,469 0.471,470 1.069,471 0.031,472 43.75,473 1.25,474 19.5,475 0.557,476 24.25,477 0.693,478 32.874,479 0.939,480 38.729,481 0.635,482 37.159,483 1.062,484 8.714,485 0.249,486 8.061,487 0.23,488 0.126,489 0.03,490 0.316,493 3,496 0.61,497 1.218,498 0.607,499 1.088,500 0.551,501 0.964,502 0.609,503 0.758,504 0.702,505 0.75,506 0.334,507 0.796,508 0.629,509 0.905,510 0.898,511 1.054,512 0.457,513 1.064,514 0.801,515 1.08,516 0.848,517 1.102,518 0.739,519 1.089,520 1.073,521 0.779,522 0.956,523 0.76,524 1.157,525 0.84,526 0.545,527 1.042,528 0.712,529 1.125,530 0.552,531 1.009,532 1.176,533 1.178,534 1.051,535 1.057,536 1.174,537 1.021,538 1.137,539 0.979,540 1.178,541 1.066,542 1.315,543 1.08,544 8.5,545 0.219,546 4.889,547 2.313,548 1.844,549 1.653,550 0.954,551 0.568,552 0.496,553 0.395,554 18895,555 56534,556 2.099,557 42.6,559 23,561 2,562 1,567 1.767,568 1.953,569 3.656,570 -0.316,577 103.202,578 1.692,579 3.615,580 4.541,581 5.193,582 5.316,583 5.349,584 3.122,585 4.708,586 5.099,587 3.887,588 2312.94,589 8.952,590 36128.7,595 361.775,596 1.566,597 5.051,598 0.218,599 0.006,600 0.086,601 0.039,602 0.034,603 0.033,604 0.018,605 0.011,606 0.011,607 0.011,608 0.468,609 0.33,610 0.63,611 0.694,612 189.699,613 -0.037,614 -0.212,615 0.034,616 -0.095,617 -0.064,618 -0.023,619 0.257,620 0.276,621 0.076,622 0.177,623 0.439,624 0.111,625 -0.026,626 -0.06,627 -0.067,628 -0.088,629 0.03,630 -0.084,631 -0.042,632 -0.198,633 -0.004,634 -0.135,635 -0.003,636 -0.088,637 -0.045,638 0.188,639 0.006,640 0.192,641 -0.119,642 0.141,643 0.205,644 -0.144,645 0.237,646 -0.108,647 0.162,648 0.007,649 -0.13,650 -0.118,651 -0.067,652 -0.059,653 -0.107,654 -0.056,655 0.079,656 0.131,657 -0.093,658 -0.064,659 -0.039,660 -0.116,661 5.7,662 5.603,663 0.8,664 40.661,665 1.018,666 1.146,667 4.408,668 19.431,669 0.67,670 3.689,671 4.06,672 4.317,673 4.585,674 4.86,675 4.99,676 5.106,677 5.236,678 5.425,679 5.58,680 7.902,681 0.646,682 503.02,683 3.689,684 5.263,685 6.12,686 7.017,687 7.89,688 8.789,689 9.668,690 10.568,691 11.45,692 12.351,693 9.8,696 1,698 1,699 2,703 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 6,797 0.8,809 2,816 5,820 1,839 1,843 4,847 1,848 1,849 3,851 35,858 7,860 1,864 3,865 1,873 4,881 17.917,882 11.238,883 7.389,884 3.644,886 3.459,887 1.4,888 1.015,889 6.801,890 12.101,891 3.892,892 4.483,893 5.029,894 5.575,895 6.13,896 6.404,897 6.771,898 7.121,899 7.547,900 7.937,901 0.889,902 59,903 13.452,905 6.254,906 7.948,907 24.633,909 20.71,911 2.448,912 85.694,916 294.278,917 129.504,918 60.955,919 39.149,921 44.88,923 129.504,924 333.426,925 105.835,926 8.396,927 14.74,928 56.857,929 75.124,930 91.348,931 4.656,932 270.735,933 46.908,934 294.278,935 190.458,936 44.88,937 39.149,939 294.278,940 44.88,943 43.719,944 95.158,945 90.73,947 339.158,948 60.955,949 168.652,952 302.037,953 38.395,954 92.722,955 18.011,956 117.6,957 294.278,958 105.835,959 168.652,961 0.597,962 0.338,963 0.177,964 0.101,965 29,966 13,967 0.062,968 4,969 1,970 1.071,971 4.503,972 342.522,973 0.071,974 28,975 170.77,981 24.175,982 9.846,983 5.35,985 105.835,986 13.296,987 9.214,991 3.858,993 18.011,994 568.765,995 48,1007 62.076,1008 69.935,1009 0.285,1010 0.61,1011 0.766,1012 0.876,1013 0.896,1014 0.902,1015 5.173,1016 1.828,1017 6.146,1018 6.101,1019 4.745,1020 5.17,1021 3.202,1022 6.999,1023 4.599,1024 6.385,1025 1.707,1026 7.738,1027 5.36,1028 4.511,1029 5.017,1030 3.926,1031 8.116,1032 4.198,1033 7.704,1034 1.438,1035 9.435,1036 4.681,1037 6.422,1038 7.316,1039 5.429,1040 11.153,1041 6.133,1042 9.055,1043 1.291,1044 11.198,1045 3.792,1046 6.967,1047 7.926,1048 6.691,1049 13.082,1050 6.522,1051 10.437,1052 1.208,1053 13.003,1054 3.502,1055 8.404,1056 9.755,1057 8.058,1058 15.707,1059 7.957,1060 11.841,1061 1,1062 14.838,1063 3.246,1064 9.295,1065 10.726,1066 9.389,1067 17.958,1068 8.715,1069 13.263,1070 1,1071 16.696,1072 2.275,1073 10.557,1074 12.345,1075 10.734,1076 20.466,1077 9.943,1078 3.385,1079 0.907,1080 18.572,1081 2.275,1082 11.606,1083 13.503,1084 12.074,1085 22.85,1086 10.876,1087 3.098,1088 12.257,1089 20.463,1090 2.213,1091 12.808,1092 15.016,1093 13.416,1094 25.331,1095 12.018,1096 2.897,1097 10.402,1098 22.366,1099 4.085,1100 13.929,1101 16.278,1102 14.758,1103 27.773,1104 13.034,1105 2.686,1106 9.169,1107 24.279,1108 4.036,1109 15.114,1110 17.735,1111 16.1,1112 30.253,1113 14.142,1114 2.534,1115 8.751,1116 26.201,1117 3.685,1118 16.271,1119 19.054,1120 17.441,1121 32.722,1122 15.198,1123 2.3,1124 7.735,1125 28.13,1126 3.193,1127 17.455,1128 20.482,1129 18.783,1130 35.207,1131 16.295,1132 2.126,1133 6.197,1134 30.065,1135 3.122,1136 18.631,1137 21.833,1138 20.124,1139 37.69,1140 17.371,1141 17712,1142 31017,1143 25.948,1144 40.841,1145 59.82,1146 59.26,1147 60.6,1148 59.576,1149 59.155,1150 72.563,1151 13.828,1152 176.825,1153 54.681,1154 5.557,1155 6.471,1156 6.786,1157 5.342,1158 5.385,1159 7.085,1160 5.335,1161 19.809,1162 5.056,1163 18.223,1164 1.534,1165 1.519,1166 1.554,1167 1.528,1168 1.517,1169 1.861,1170 0.355,1171 4.534,1172 1.402,1173 4.053,1174 4.095,1175 4.054,1176 3.95,1177 8.513,1178 3.958,1179 3.938,1180 3.971,1181 3.96,1182 3.864,1183 7.999,1184 3.865,1185 3.857,1186 3.914,1187 3.795,1188 3.686,1189 7.999,1190 3.703,1191 3.709,1192 3.772,1193 3.613,1194 3.541,1195 4.97,1196 3.548,1197 3.442,1198 3.51,1199 3.555,1200 3.282,1201 4.909,1202 3.282,1203 3.326,1204 3.362,1205 3.334,1206 3.072,1207 4.786,1208 3.101,1209 3.187,1210 3.281,1211 3.123,1212 2.973,1213 4.355,1214 2.984,1215 3.169,1216 3.262,1217 2.997,1218 2.941,1219 4.281,1220 2.933,1221 0.117,1222 0.115,1223 0.186,1224 0.11,1225 0.087,1226 4.557,1227 0.105,1228 4.471,1229 0.098,1230 7.25,1231 0.314,1232 4.271,1233 0.078,1234 3.385,1235 4.085,1236 3.825,1237 12.257,1238 3.056,1239 1.975,1240 1.943,1241 2.061,1242 2.108,1243 1.294,1244 2.097,1245 1.911,1246 1.888,1247 2.007,1248 2.039,1249 1.266,1250 2.034,1251 1.799,1252 1.741,1253 1.952,1254 1.97,1255 1.121,1256 1.969,1257 1.672,1258 1.609,1259 1.843,1260 1.857,1261 1.022,1262 1.858,1263 1.422,1264 1.358,1265 1.628,1266 1.611,1267 0.825,1268 1.621,1269 1.166,1270 1.104,1271 1.526,1272 1.439,1273 0.756,1274 1.471,1275 1.161,1276 1.064,1277 1.513,1278 1.424,1279 0.642,1280 1.429,1281 1.153,1282 1.058,1283 1.429,1284 1.388,1285 0.616,1286 1.409,1287 4.369,1289 5.727,1291 7.277,1293 8.912,1295 10.589,1297 2.116,1298 6.043,1299 40.808,1303 5.092,1305 3.242,1309 6.476,1310 -4.45,1314 39.427,1315 103.202,1316 220.514,1317 276.981,1318 316.755,1319 324.265,1320 326.265,1321 70.026,1322 8.642,1323 47.53,1324 47.53,1325 30,1326 12.876,1327 4.248,1328 3.322,1329 52.274,1330 164,1331 195,1332 0.152,1333 239.959,1334 422.22,1335 577.259,1336 80708,1337 6.6,1338 24.579,1339 0.702,1340 0.573,1341 22.579,1342 20.072,1343 16.775,1344 0.43,1345 0.305,1346 11.33,1347 15.663,1348 11.088,1349 9.068,1350 15.852,1351 11.9,1352 16.269,1353 0.285,1354 0.164,1355 14.682,1356 9.371,1357 13.017,1358 0.176,1359 0.091,1360 12.547,1361 6.76,1362 10.948,1363 0.113,1364 0.049,1365 10.262,1366 4.732,1367 9.12,1368 0.071,1369 0.027,1370 9.104,1371 3.422,1372 0.242,1373 109.285,1374 0.196,1375 32.26,1376 0.412,1377 192,1378 695.095,1379 236.387,1380 624.848,1381 824.22,1382 582,1383 227,1384 567.877,1385 261.362,1386 568.512,1387 854.39,1388 533,1389 6}
{0 CHEMBL1164265,1 1.657,2 13.242,3 4.693,4 22.027,5 130.49,6 8.121,7 0.486,8 4.179,9 4.306,10 3.823,11 3.704,12 5.27,13 3.696,14 4.749,15 4.943,16 4.216,17 4.12,18 5.806,19 4.097,20 5.02,21 5.228,22 4.387,23 4.317,24 6.12,25 4.258,26 5.115,27 5.355,28 4.261,29 4.301,30 6.164,31 4.2,32 5.056,33 5.324,34 4.148,35 4.221,36 6.119,37 4.119,38 4.874,39 5.092,40 4.175,41 4.16,42 5.927,43 4.083,44 4.859,45 5.071,46 4.182,47 4.095,48 6.071,49 4.036,50 4.8,51 5.032,52 3.972,53 4.014,54 5.934,55 3.922,56 0.072,57 1.046,58 10.59,59 4.977,60 8.217,61 6.408,62 0.37,63 1.687,64 23.046,65 8.072,66 23.102,67 10.741,68 0.593,69 2.075,70 33.806,71 11.932,72 55.953,73 15.406,74 0.771,75 2.069,76 43.077,77 13.53,78 82.692,79 18.122,80 0.858,81 2.014,82 39.458,83 12.472,84 100.919,85 17.461,86 0.382,87 1.758,88 31.175,89 11.197,90 41.846,91 14.585,92 0.712,93 1.81,94 32.778,95 10.127,96 72.513,97 12.756,98 0.547,99 1.644,100 28.72,101 10.055,102 63.295,103 13.103,104 17,105 53,106 0.269,107 0.587,108 0.728,109 0.834,110 0.861,111 0.866,112 3.532,113 0.923,114 -5.34,115 -5.22,116 -4.88,119 41.4,124 1,125 7,142 5,143 3,144 4,145 2,147 2,172 5,174 1,175 6,178 1,183 5,187 2,188 6,191 1,193 1,196 4,200 6,205 1,208 3,212 2,213 6,218 2,221 1,224 1,225 3,230 1,233 3,237 1,238 3,241 1,243 3,246 4,249 1,250 3,255 1,258 4,264 1,267 1,272 3,276 1937,277 22.378,278 22.378,279 22.378,280 22.378,281 22.378,282 20.133,283 28.849,284 12.893,285 23.073,286 18.209,287 18.209,288 18.209,289 18.209,290 18.209,291 14.855,292 43.234,293 6.094,294 19.462,295 4.201,296 2.246,297 1.382,298 0.729,299 0.565,300 0.53,301 4.241,302 1,306 1,307 962,308 2.646,312 487.222,316 147.486,319 2.129,320 38.264,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 72.333,332 437,333 4.464,334 3.541,335 6.625,336 4.094,337 3.148,338 4.137,339 0.916,340 10.561,341 2.99,342 4.385,343 3.258,344 6.49,345 3.966,346 3.019,347 4.06,348 0.8,349 10.024,350 2.835,351 4.155,352 3.138,353 6.178,354 3.822,355 2.889,356 3.685,357 0.8,358 9.16,359 2.696,360 3.885,361 2.857,362 6.047,363 3.629,364 2.668,365 3.192,366 0.4,367 8.73,368 2.54,369 3.537,370 2.766,371 5.458,372 3.223,373 2.301,374 2.859,375 0.172,376 6.666,377 2.119,378 3.392,379 2.603,380 5.171,381 3.126,382 2.217,383 2.478,385 6.109,386 1.991,387 3.253,388 2.378,389 5.047,390 2.937,391 2.028,392 2.397,394 6.05,395 1.825,396 3.021,397 2.175,398 4.542,399 2.66,400 1.708,401 2.197,403 4.684,404 1.622,405 2.998,406 1.856,407 4.488,408 2.563,409 1.629,410 2.146,412 4.332,413 1.485,414 2.61,415 1.622,416 4.224,417 2.387,418 1.437,419 1.627,421 3.758,422 1.361,423 2.528,424 1.464,425 4.061,426 2.17,427 1.211,428 1.534,430 3.302,431 1.158,432 2.5,433 1.285,434 3.468,435 1.967,436 1,437 1.5,439 2.319,440 0.965,441 2.199,442 1.146,443 3.414,444 1.958,445 1,446 1.154,448 2.275,449 0.955,450 2,451 1,452 3.414,453 1.883,454 0.955,455 1,457 2.275,458 0.875,459 1.579,460 0.954,461 3.2,462 1.312,463 0.444,464 0.484,466 1.127,467 0.351,468 15.686,469 0.475,470 0.853,471 0.026,472 42.5,473 1.288,474 19.5,475 0.591,476 23,477 0.697,478 29.784,479 0.903,480 35.914,481 0.619,482 33.528,483 1.016,484 8.472,485 0.257,486 7.519,487 0.228,488 0.114,490 0.363,494 2,496 0.642,497 1.28,498 0.616,499 1.075,500 0.501,501 0.954,502 0.853,503 0.947,504 0.731,505 0.782,506 0.547,507 0.793,508 0.851,509 1.042,510 0.847,511 1.01,512 0.744,513 1.005,514 0.85,515 1.005,516 1.034,517 1.12,518 0.86,519 1.105,520 0.666,521 0.682,522 0.774,523 0.767,524 0.604,525 0.833,526 0.856,527 1.095,528 0.937,529 1.07,530 0.836,531 1.01,532 1.18,533 1.072,534 1.166,535 1.076,536 1.279,537 1.043,538 0.971,539 1.035,540 0.961,541 1.067,542 1.097,543 1.089,544 6.5,545 0.161,546 4.889,547 1.875,548 1.836,549 1.243,550 0.813,551 0.439,552 0.41,553 0.308,554 16477,555 46104,556 2.131,557 43.1,559 22,561 2,562 1,567 1.751,568 2,569 3.66,570 -0.322,577 96.118,578 1.657,579 3.612,580 4.476,581 5.129,582 5.293,583 5.328,584 3.132,585 4.718,586 5.014,587 3.845,588 2030.13,589 8.776,590 30365.3,595 339.763,596 1.393,597 4.979,598 0.176,599 0.005,600 0.092,601 0.033,602 0.038,603 0.027,604 0.017,605 0.01,606 0.011,607 0.01,608 0.419,609 0.33,610 0.75,611 0.522,612 175.717,613 -0.036,614 -0.24,615 0.039,616 -0.1,617 -0.009,618 -0.024,619 -0.096,620 0.032,621 0.034,622 0.13,623 0.024,624 0.117,625 0.011,626 -0.049,627 0.026,628 -0.045,629 0.054,630 -0.049,631 0.025,632 -0.086,633 -0.046,634 -0.134,635 -0.009,636 -0.11,637 0.124,638 0.175,639 0.114,640 0.181,641 0.133,642 0.164,643 -0.022,644 -0.152,645 0.036,646 -0.055,647 -0.018,648 -0.004,649 0.004,650 0.037,651 -0.091,652 -0.076,653 -0.048,654 -0.089,655 0.016,656 -0.011,657 -0.052,658 -0.077,659 -0.037,660 -0.104,661 2.29,662 6.394,663 0.848,664 36.863,665 1.012,666 1.141,667 4.107,668 16.87,669 0.675,670 3.638,671 3.989,672 4.29,673 4.533,674 4.82,675 4.905,676 5.05,677 5.187,678 5.384,679 5.513,680 7.649,681 0.647,682 471,683 3.638,684 5.198,685 6.066,686 6.95,687 7.831,688 8.718,689 9.603,690 10.491,691 11.379,692 12.269,693 10.3,696 1,698 1,699 2,703 2,709 7,710 2,714 9,716 18,728 1,730 2,734 3,735 58,737 18,738 1,739 37,741 62,742 24,743 16,744 4,745 2,748 5,749 6,750 1,762 16,763 8,781 2,783 25,784 8,785 1,786 9,787 1,792 6,797 0.8,809 2,816 5,820 1,839 1,843 4,847 1,848 1,849 2,851 33,858 7,860 1,864 3,873 3,881 16.5,882 10.762,883 7.111,884 3.504,886 3.386,887 1.398,888 1.021,889 6.371,890 11.885,891 3.85,892 4.449,893 5.019,894 5.546,895 6.104,896 6.347,897 6.727,898 7.097,899 7.533,900 7.915,901 0.889,902 57,903 12.301,905 5.397,906 7.806,907 23.452,909 19.721,911 2.306,912 76.111,916 282.506,917 127.324,918 60.955,919 39.149,921 29.92,923 127.324,924 321.655,925 90.875,926 8.396,927 14.74,928 47.381,929 75.124,930 61.524,931 34.576,932 258.964,933 39.149,934 282.506,935 188.279,936 29.92,937 39.149,939 312.427,943 35.959,944 100.738,945 90.73,947 312.427,948 60.955,949 166.473,952 282.506,953 53.452,954 83.245,955 18.011,956 102.64,957 282.506,958 90.875,959 166.473,961 0.592,962 0.354,963 0.182,964 0.104,965 27,966 12,967 0.065,968 4,969 1,970 1.071,971 4.399,972 315.47,973 0.071,974 28,975 162.465,981 22.331,982 9.415,983 4.63,985 90.875,986 11.92,987 9.25,991 3.181,993 18.011,994 539.854,995 46,1007 58.68,1008 66.18,1009 0.283,1010 0.617,1011 0.764,1012 0.876,1013 0.904,1014 0.909,1015 5.115,1016 1.708,1017 6.061,1018 6.05,1019 4.673,1020 5.136,1021 1.557,1022 6.887,1023 4.542,1024 6.313,1025 1.629,1026 7.635,1027 4.684,1028 4.29,1029 4.945,1030 0.766,1031 7.808,1032 4.061,1033 7.621,1034 1.437,1035 9.306,1036 4.332,1037 6.29,1038 7.296,1039 1.075,1040 10.901,1041 6.046,1042 8.962,1043 1.211,1044 11.033,1045 3.758,1046 6.711,1047 7.91,1048 0.74,1049 12.627,1050 6.37,1051 10.335,1052 1,1053 12.796,1054 3.302,1055 8.182,1056 9.755,1057 0.812,1058 15.234,1059 7.825,1060 11.729,1061 1,1062 14.583,1063 2.319,1064 8.969,1065 10.745,1066 0.632,1067 17.291,1068 8.528,1069 13.141,1070 0.955,1071 16.387,1072 2.275,1073 10.228,1074 12.371,1075 0.636,1076 19.723,1077 9.759,1078 3.148,1079 0.444,1080 18.205,1081 2.275,1082 11.188,1083 13.552,1084 0.524,1085 21.925,1086 10.647,1087 3.019,1088 10.561,1089 20.032,1090 1.127,1091 12.359,1092 15.071,1093 0.505,1094 24.29,1095 11.779,1096 2.889,1097 10.024,1098 21.866,1099 4.137,1100 13.402,1101 16.353,1102 0.43,1103 26.558,1104 12.758,1105 2.668,1106 9.16,1107 23.707,1108 4.06,1109 14.537,1110 17.817,1111 0.405,1112 28.898,1113 13.848,1114 2.301,1115 8.73,1116 25.553,1117 3.685,1118 15.619,1119 19.154,1120 0.353,1121 31.197,1122 14.87,1123 2.217,1124 6.666,1125 27.403,1126 3.192,1127 16.743,1128 20.59,1129 0.328,1130 33.53,1131 15.945,1132 2.028,1133 6.109,1134 29.256,1135 2.859,1136 17.844,1137 21.957,1138 0.29,1139 35.846,1140 16.99,1141 15330,1142 25949,1143 24.967,1144 39.142,1145 56.142,1146 57.445,1147 57.709,1148 55.768,1149 55.728,1150 69.402,1151 6.178,1152 163.624,1153 51.851,1154 5.464,1155 5.541,1156 6.16,1157 5.166,1158 5.148,1159 7.137,1160 1.605,1161 17.649,1162 4.99,1163 15.698,1164 1.517,1165 1.553,1166 1.56,1167 1.507,1168 1.506,1169 1.876,1170 0.167,1171 4.422,1172 1.401,1173 4.049,1174 4.091,1175 4.067,1176 3.941,1177 8.206,1178 3.951,1179 3.926,1180 3.962,1181 3.961,1182 3.844,1183 8.196,1184 3.848,1185 3.853,1186 3.905,1187 3.793,1188 3.684,1189 4.964,1190 3.702,1191 3.708,1192 3.771,1193 3.608,1194 3.54,1195 4.808,1196 3.547,1197 3.442,1198 3.51,1199 3.356,1200 3.28,1201 4.778,1202 3.281,1203 3.192,1204 3.283,1205 3.316,1206 3.003,1207 4.353,1208 3.002,1209 3.171,1210 3.267,1211 3.073,1212 2.941,1213 4.218,1214 2.934,1215 3.111,1216 3.206,1217 2.994,1218 2.935,1219 4.158,1220 2.91,1221 0.121,1222 0.096,1223 0.179,1224 0.111,1225 0.085,1226 4.464,1227 0.112,1228 3.541,1229 0.025,1230 6.625,1231 0.285,1232 4.094,1233 0.081,1234 3.148,1235 4.137,1236 0.916,1237 10.561,1238 2.99,1239 1.97,1240 1.937,1241 2.056,1242 2.106,1243 1.294,1244 2.095,1245 1.885,1246 1.863,1247 1.994,1248 2.035,1249 1.253,1250 2.028,1251 1.795,1252 1.738,1253 1.925,1254 1.953,1255 1.083,1256 1.948,1257 1.671,1258 1.608,1259 1.837,1260 1.854,1261 1.015,1262 1.854,1263 1.421,1264 1.357,1265 1.628,1266 1.611,1267 0.825,1268 1.621,1269 1.163,1270 1.088,1271 1.526,1272 1.438,1273 0.755,1274 1.471,1275 1.159,1276 1.064,1277 1.513,1278 1.399,1279 0.636,1280 1.429,1281 1.153,1282 1.058,1283 1.431,1284 1.376,1285 0.61,1286 1.412,1287 4.317,1289 5.659,1291 7.206,1293 8.84,1295 10.517,1297 2.131,1298 6.071,1299 28.321,1303 5.392,1305 3.273,1309 6.572,1314 37.517,1315 96.118,1316 209.505,1317 259.624,1318 297.498,1319 307.008,1320 309.008,1321 64.181,1322 8.499,1323 47.53,1324 47.53,1325 30,1326 12.798,1327 4.248,1328 3.322,1329 47.937,1330 151,1331 173,1332 0.153,1333 229.168,1334 398.85,1335 550.93,1336 67306,1337 5.2,1338 22.949,1339 0.695,1340 0.579,1341 21.709,1342 19.117,1343 15.991,1344 0.432,1345 0.308,1346 10.839,1347 14.991,1348 10.591,1349 8.676,1350 15.459,1351 11.383,1352 14.673,1353 0.277,1354 0.167,1355 14.011,1356 8.835,1357 13.01,1358 0.181,1359 0.093,1360 12.329,1361 6.687,1362 10.4,1363 0.113,1364 0.049,1365 10.046,1366 4.48,1367 8.912,1368 0.072,1369 0.026,1370 8.652,1371 3.248,1372 0.243,1373 104.064,1374 0.2,1375 30.79,1376 0.413,1377 180,1378 598.984,1379 215.032,1380 560.423,1381 748.23,1382 524,1383 215,1384 522.543,1385 250.909,1386 528.916,1387 780.56,1388 497,1389 5.5}
{0 CHEMBL1173055,1 1.57,2 9.417,3 2.959,4 8.757,5 92.409,6 7.7,7 0.593,8 3.853,9 3.976,10 3.449,11 3.432,12 4.97,13 3.416,14 4.386,15 4.553,16 3.831,17 3.854,18 5.502,19 3.818,20 4.663,21 4.852,22 3.971,23 4.041,24 5.741,25 3.986,26 4.749,27 4.956,28 3.951,29 4.024,30 5.852,31 3.959,32 4.682,33 4.893,34 3.818,35 3.919,36 5.94,37 3.835,38 4.578,39 4.83,40 3.504,41 3.765,42 5.547,43 3.638,44 4.397,45 4.657,46 3.345,47 3.525,48 5.48,49 3.421,50 4.146,51 4.389,52 3.124,53 3.237,54 5.284,55 3.155,56 0.043,57 0.691,58 8.04,59 3.738,60 6.85,61 4.701,62 0.163,63 1.128,64 15.32,65 6.462,66 19.41,67 8.395,68 0.19,69 1.434,70 21.58,71 9.024,72 34.252,73 11.613,74 0.298,75 1.499,76 24.501,77 9.327,78 41.093,79 12.368,80 0.505,81 1.423,82 23.514,83 8.934,84 76.776,85 11.674,86 0.217,87 1.213,88 22.309,89 8.787,90 39.658,91 11.831,92 0.278,93 1.059,94 19.357,95 7.009,96 43.858,97 9.128,98 0.205,99 0.81,100 14.725,101 5.055,102 35.942,103 6.49,104 12,105 39,106 0.273,107 0.654,108 0.812,109 0.859,110 0.859,111 0.859,112 3.23,113 0.893,114 -4.09,115 -4.04,116 -3.82,119 45.2,121 1,124 1,125 2,142 6,143 5,144 1,152 2,158 1,172 10,175 1,178 1,180 7,183 12,188 2,193 9,196 11,200 2,205 5,208 10,213 1,216 1,217 1,218 4,221 10,225 1,230 2,233 8,238 2,242 1,243 3,246 4,250 2,255 3,258 1,264 1,269 2,276 744,277 16.455,278 16.455,279 16.455,280 16.455,281 16.455,282 14.528,283 15.923,284 9.661,285 16.688,286 13.319,287 13.319,288 13.319,289 13.319,290 13.319,291 10.192,292 15.194,293 4.521,294 13.648,295 3.822,296 1.626,297 0.721,298 0.447,299 0.447,300 0.447,301 3.93,304 1,305 1,306 1,307 496,308 2.55,311 36.502,312 105.594,313 52.651,315 68.607,316 76.945,317 84.144,318 95.711,319 1.5,320 26.305,321 1,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 52,332 226,333 4.771,334 3.64,335 7.052,336 4.341,337 3.354,338 4.734,339 1.058,340 12.17,341 3.312,342 4.187,343 3.26,344 6.313,345 3.815,346 2.821,347 3.79,348 0.657,349 9.485,350 2.802,351 3.873,352 2.897,353 5.671,354 3.496,355 2.501,356 3.348,358 7.431,359 2.486,360 3.712,361 2.763,362 5.377,363 3.312,364 2.341,365 3.111,367 6.919,368 2.269,369 3.484,370 2.406,371 5.237,372 3.107,373 2.132,374 2.815,376 6.423,377 2.067,378 3.117,379 2.087,380 4.843,381 2.733,382 1.772,383 2.316,385 5.195,386 1.686,387 2.927,388 1.801,389 4.548,390 2.539,391 1.572,392 2.037,394 4.338,395 1.514,396 2.52,397 1.52,398 4.071,399 2.215,400 1.259,401 1.524,403 3.254,404 1.2,405 2.5,406 1.37,407 3.414,408 2,409 1,410 1.5,412 2.275,413 1,414 2.151,415 1.025,416 3.225,417 1.937,418 0.998,419 1.122,421 1.819,422 0.934,423 1.977,424 1,425 3.174,426 1.551,427 0.551,428 0.739,430 1.387,431 0.544,432 1.225,433 0.441,434 2.943,435 0.967,441 1.123,442 0.151,443 2.702,444 0.813,445 -0.15,446 -0.178,448 -0.303,449 -0.143,450 0.948,451 0.028,452 2.446,453 0.514,454 -0.448,455 -0.574,457 -1.102,458 -0.412,459 0.664,460 -0.267,461 2.265,462 0.317,463 -0.629,464 -0.76,466 -1.484,467 -0.592,468 11.319,469 0.472,470 0.589,471 0.025,472 31,473 1.292,474 15.5,475 0.646,476 15.5,477 0.646,478 18.437,479 0.768,480 25.281,481 0.602,482 22.916,483 0.955,484 6.303,485 0.263,486 5.366,487 0.224,488 0.099,490 0.398,494 1,496 0.669,497 1.006,498 0.745,499 0.916,500 0.524,501 0.85,502 0.67,503 0.922,504 0.798,505 0.885,506 0.519,507 0.861,508 0.852,509 1.031,510 0.872,511 1.007,512 0.837,513 0.957,514 0.854,515 0.981,516 0.941,517 1.05,518 0.881,519 1.021,520 0.831,521 0.978,522 1.052,523 1.097,524 0.887,525 1.119,526 0.781,527 1.008,528 0.962,529 1.078,530 0.835,531 1.069,532 1.167,533 1.031,534 1.019,535 0.963,536 1.133,537 0.961,538 1.383,539 1.196,540 1.128,541 1.082,542 1.353,543 1.06,544 4.5,545 0.073,546 2.667,547 2.167,548 1.637,549 0.948,550 0.484,551 0.319,552 0.174,553 0.145,554 5913,555 15913,556 2.135,557 42.9,559 13,562 3,564 2,567 1.672,568 2,569 3.151,570 0.957,571 1,572 1,574 1,577 65.953,578 1.57,579 3.766,580 4.672,581 4.946,582 4.946,583 4.946,584 2.705,585 3.97,586 4.55,587 3.294,588 909.198,589 7.873,590 10109.1,591 1,592 1,594 1,595 226.477,596 1.406,597 4.518,598 0.167,599 0.008,600 0.068,601 0.049,602 0.04,603 0.028,604 0.019,605 0.015,606 0.011,607 0.012,608 0.418,609 0.67,610 1,611 0.948,612 111.584,613 -0.068,614 0.01,615 0.026,616 0.071,617 -0.042,618 0.073,619 0.003,620 0.056,621 0.044,622 0.091,623 0.047,624 0.083,625 -0.052,626 -0.057,627 0.022,628 -0.007,629 -0.044,630 0.018,632 -0.083,633 -0.011,634 -0.086,635 -0.026,636 -0.059,637 0.184,638 0.012,639 -0.092,640 -0.122,641 0.153,642 -0.158,643 -0.003,644 -0.121,645 0.016,646 -0.07,647 -0.04,648 -0.036,649 -0.057,650 0.035,651 0.022,652 0.031,653 -0.028,654 0.042,655 -0.141,656 -0.165,657 -0.084,658 -0.12,659 -0.059,660 -0.096,661 2.071,662 5.888,663 0.792,664 18.083,665 1.005,666 1.128,667 2.864,668 8.2,669 0.679,670 3.332,671 3.689,672 4.025,673 4.382,674 4.682,675 4.883,676 5.063,677 5.209,678 5.328,679 5.398,680 5.358,681 0.652,682 323.4,683 3.332,684 4.89,685 5.771,686 6.683,687 7.59,688 8.513,689 9.432,690 10.359,691 11.284,692 12.215,693 7.1,695 1,700 1,701 1,708 2,709 6,711 1,714 6,716 16,723 1,734 1,735 42,737 17,738 2,739 27,741 45,742 19,743 14,744 6,745 6,746 1,748 4,749 8,757 1,760 1,762 15,763 4,767 1,772 1,776 1,779 1,780 1,781 1,783 18,784 4,785 3,786 5,792 3,797 0.5,798 1,811 1,815 1,816 2,817 1,819 1,820 1,821 1,822 1,838 1,843 2,847 1,849 1,851 24,858 3,860 2,873 1,874 2.4,877 1,881 12,882 7.81,883 5.25,884 2.529,886 3.263,887 1.423,888 1.054,889 3.773,890 10.983,891 3.611,892 4.273,893 4.953,894 5.648,895 6.268,896 6.72,897 7.216,898 7.661,899 8.027,900 8.382,901 1,902 44,903 8.927,905 3.939,906 7.833,907 16.999,909 14.43,911 2.333,912 56,915 1,916 176.567,917 106.042,918 52.807,920 25.145,921 14.96,923 106.042,924 201.711,925 67.767,926 8.396,927 24.757,928 74.868,929 29.85,930 41.222,931 19.861,932 176.567,934 176.567,935 158.849,936 40.105,939 167.984,940 48.687,943 59.553,944 99.296,947 191.527,948 77.952,949 106.042,952 176.567,953 40.788,954 65.254,955 52.807,956 40.105,957 176.567,958 92.912,959 106.042,961 0.581,962 0.348,963 0.204,964 0.12,965 21,966 9,967 0.067,968 3,969 3,970 1.263,971 3.522,972 211.158,973 0.316,974 18,975 106.039,981 15.218,982 5.95,983 2.606,984 1.507,985 76.127,986 11.047,988 3.317,991 4.28,993 52.807,994 375.52,995 36,1000 12.208,1004 -0.215,1007 42.214,1008 47.366,1009 0.291,1010 0.698,1011 0.866,1012 0.917,1013 0.917,1014 0.917,1015 4.86,1016 1.259,1017 5.771,1018 4.338,1019 4.369,1020 4.959,1021 1.412,1022 6.642,1023 4.328,1024 6.091,1025 1,1026 7.361,1027 3.254,1028 4.007,1029 4.902,1031 7.647,1032 3.96,1033 7.426,1034 0.998,1035 9.052,1036 2.275,1037 6.009,1038 7.264,1039 1.356,1040 10.815,1041 5.944,1042 8.801,1043 0.551,1044 10.805,1045 1.819,1046 6.479,1047 8.056,1049 12.692,1050 6.413,1051 10.21,1053 12.598,1054 1.387,1055 7.958,1056 9.907,1057 1.379,1058 15.393,1059 7.876,1060 11.645,1061 -0.15,1062 14.421,1064 8.819,1065 11.1,1067 17.638,1068 8.734,1069 13.101,1070 -0.448,1071 16.265,1072 -0.303,1073 10.102,1074 12.756,1075 1.439,1076 20.192,1077 10.003,1078 3.354,1079 -0.629,1080 18.128,1081 -1.102,1082 11.148,1083 14.142,1085 22.587,1086 11.041,1087 2.821,1088 12.17,1089 20.005,1090 -1.484,1091 12.363,1092 15.724,1093 1.516,1094 25.095,1095 12.243,1096 2.501,1097 9.485,1098 21.894,1099 4.734,1100 13.492,1101 17.2,1103 27.55,1104 13.362,1105 2.341,1106 7.431,1107 23.793,1108 3.79,1109 14.689,1110 18.757,1111 1.602,1112 30.046,1113 14.546,1114 2.132,1115 6.919,1116 25.7,1117 3.348,1118 15.857,1119 20.274,1121 32.525,1122 15.702,1123 1.772,1124 6.423,1125 27.613,1126 3.111,1127 17.051,1128 21.825,1129 1.691,1130 35.019,1131 16.884,1132 1.572,1133 5.195,1134 29.533,1135 2.815,1136 18.238,1137 23.361,1139 37.508,1140 18.057,1141 5687,1142 9462,1143 18.205,1144 28.5,1145 41.106,1146 42.309,1147 42.402,1148 40.666,1149 40.601,1150 54.074,1151 3.431,1152 121.395,1153 39.63,1154 5.67,1155 5.64,1156 6.822,1157 5.389,1158 5.354,1159 7.734,1160 2.117,1161 19.689,1162 5.312,1163 10.799,1164 1.522,1165 1.567,1166 1.57,1167 1.506,1168 1.504,1169 2.003,1170 0.127,1171 4.496,1172 1.468,1173 4.184,1174 4.211,1175 4.156,1176 4.106,1177 8.201,1178 4.115,1179 3.89,1180 3.922,1181 3.829,1182 3.83,1183 7.429,1184 3.826,1185 3.544,1186 3.614,1187 3.456,1188 3.397,1189 4.927,1190 3.397,1191 3.518,1192 3.582,1193 3.435,1194 3.304,1195 4.667,1196 3.329,1197 3.376,1198 3.447,1199 3.226,1200 3.144,1201 4.276,1202 3.154,1203 3.051,1204 3.091,1205 2.948,1206 2.861,1207 4.124,1208 2.869,1209 2.913,1210 2.997,1211 2.736,1212 2.753,1213 4.045,1214 2.738,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.674,1220 2.715,1221 0.177,1222 0.135,1223 0.261,1224 0.161,1225 0.124,1226 4.771,1227 0.175,1228 3.64,1229 0.039,1230 7.052,1231 0.451,1232 4.341,1233 0.123,1234 3.354,1235 4.734,1236 1.058,1237 12.17,1238 3.312,1239 1.951,1240 1.935,1241 2.052,1242 2.038,1243 1.254,1244 2.04,1245 1.933,1246 1.909,1247 1.991,1248 2.015,1249 1.169,1250 2.011,1251 1.63,1252 1.576,1253 1.834,1254 1.818,1255 1.062,1256 1.828,1257 1.451,1258 1.381,1259 1.714,1260 1.719,1261 0.812,1262 1.719,1263 1.322,1264 1.246,1265 1.507,1266 1.575,1267 0.603,1268 1.563,1269 1.014,1270 0.962,1271 1.305,1272 1.26,1273 0.443,1274 1.253,1275 0.946,1276 0.882,1277 1.181,1278 1.173,1279 0.24,1280 1.195,1281 0.886,1282 0.821,1283 1.15,1284 1.062,1285 0.218,1286 1.107,1287 4.007,1289 5.352,1290 2.398,1291 6.893,1292 4.949,1293 8.531,1294 7.222,1295 10.225,1297 1.916,1299 13.888,1303 2.082,1305 5.969,1314 27.377,1315 65.953,1316 158.174,1317 196.213,1318 207.722,1319 207.722,1320 207.722,1321 40.631,1322 7.72,1323 56.92,1324 56.92,1325 24,1326 12.718,1327 4.17,1328 3.322,1329 33.773,1330 76,1331 102,1332 0.226,1333 165.609,1334 281.86,1335 395.847,1336 22356,1337 2.4,1338 16.681,1339 0.695,1340 0.557,1341 15.811,1342 13.372,1343 11.669,1344 0.432,1345 0.298,1346 7.929,1347 11.267,1348 7.745,1349 6.4,1350 11.275,1351 8.033,1352 10.619,1353 0.272,1354 0.156,1355 9.973,1356 6.088,1357 9.159,1358 0.167,1359 0.082,1360 8.892,1361 4.495,1362 8.235,1363 0.104,1364 0.043,1365 7.917,1366 3.431,1367 7.073,1368 0.066,1369 0.023,1370 6.718,1371 2.465,1372 0.342,1373 72.924,1374 0.234,1375 22.888,1376 0.655,1377 132,1378 400.845,1379 142.874,1380 367.8,1381 501.76,1382 344,1383 160,1384 367.758,1385 170.232,1386 370.572,1387 548.8,1388 350,1389 5.1}
{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 7,237 3,238 6,241 1,243 3,246 3,249 2,250 9,255 3,258 2,263 1,264 4,267 1,269 1,272 2,276 2346,277 22.739,278 22.739,279 22.739,280 22.739,281 22.739,282 20.314,283 32.664,284 13.563,285 23.485,286 18.303,287 18.303,288 18.303,289 18.303,290 18.303,291 14.602,292 46.591,293 6.532,294 19.582,295 4.11,296 1.8,297 0.731,298 0.432,299 0.432,300 0.432,301 4.254,302 1,306 1,307 888,308 4.062,311 86.25,312 299.294,316 161.313,319 1.841,320 42.381,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 75.333,332 418,333 4.58,334 3.499,335 6.591,336 4.113,337 3.146,338 4.514,339 1.058,340 10.562,341 3.041,342 4.22,343 3.312,344 6.107,345 3.774,346 2.846,347 3.872,348 0.916,349 8.973,350 2.637,351 4.044,352 3.241,353 5.948,354 3.655,355 2.723,356 3.528,357 0.86,358 8.314,359 2.529,360 3.721,361 3.017,362 5.369,363 3.436,364 2.483,365 3.007,366 0.86,367 6.999,368 2.357,369 3.566,370 2.691,371 5.354,372 3.272,373 2.314,374 2.875,375 0.4,376 6.816,377 2.203,378 3.455,379 2.643,380 5.056,381 3.144,382 2.218,383 2.66,384 0.172,385 6.034,386 2.034,387 3.322,388 2.437,389 4.945,390 3.061,391 2.109,392 2.502,394 5.602,395 1.976,396 3.215,397 2.125,398 4.644,399 2.828,400 1.869,401 2.235,403 5.126,404 1.78,405 2.978,406 2.037,407 4.415,408 2.476,409 1.549,410 2.187,412 4.261,413 1.431,414 2.82,415 1.932,416 4.041,417 2.319,418 1.414,419 1.948,421 3.523,422 1.217,423 2.665,424 1.549,425 3.871,426 2.222,427 1.315,428 1.687,430 3.096,431 1.19,432 2.517,433 1.509,434 3.425,435 2.005,436 1.094,437 1.342,439 2.489,440 0.991,441 2.185,442 1.358,443 3.265,444 1.956,445 0.989,446 1.17,448 2.115,449 0.944,450 1.679,451 0.938,452 3.09,453 1.543,454 0.618,455 0.618,457 1.372,458 0.566,459 1.618,460 0.832,461 3,462 1.344,463 0.424,464 0.505,466 1.106,467 0.383,468 16,469 0.471,470 0.873,471 0.026,472 43.5,473 1.279,474 20.5,475 0.603,476 23,477 0.676,478 29.588,479 0.87,480 37.4,481 0.634,482 37.102,483 1.091,484 8.869,485 0.261,486 7.516,487 0.221,488 0.146,490 0.338,494 1,496 0.748,497 1.32,498 0.63,499 1.102,500 0.58,501 0.954,502 1.004,503 0.987,504 0.748,505 0.861,506 0.63,507 0.834,508 1.08,509 1.167,510 0.98,511 1.089,512 0.907,513 1.076,514 0.83,515 0.859,516 0.735,517 0.796,518 0.79,519 0.778,520 0.691,521 0.804,522 0.854,523 0.971,524 0.81,525 0.962,526 0.848,527 1.007,528 0.755,529 0.974,530 0.832,531 0.955,532 1.043,533 0.894,534 0.894,535 0.891,536 1.191,537 0.957,538 1.042,539 1.083,540 1.002,541 1.06,542 1.132,543 1.018,544 7.5,545 0.289,546 3.333,547 1.972,548 1.986,549 1.007,550 0.945,551 0.657,552 0.501,553 0.294,554 16064,555 50340,556 2.059,557 42.4,559 20,561 1,562 2,565 2,567 1.767,568 1.925,569 3.565,570 0.235,577 104.576,578 1.772,579 4.082,580 5.152,581 5.45,582 5.45,583 5.45,584 3.067,585 4.735,586 5.051,587 3.759,588 2108.56,589 8.902,590 32537.3,595 347.076,596 1.419,597 5.016,598 0.203,599 0.008,600 0.065,601 0.039,602 0.041,603 0.019,604 0.017,605 0.012,606 0.01,607 0.007,608 0.423,609 0.33,610 0.88,611 1.454,612 181.75,613 -0.062,614 -0.212,615 0.03,616 -0.1,617 -0.048,618 -0.021,619 -0.086,620 0.035,621 0.041,622 0.09,623 0.033,624 0.088,625 -0.033,626 -0.158,627 -0.064,628 -0.109,629 0.01,630 -0.128,631 0.006,632 0.044,633 0.172,634 0.164,635 -0.004,636 0.224,637 0.108,638 0.127,639 -0.015,640 -0.008,641 0.02,642 -0.006,644 -0.049,645 0.031,646 -0.028,647 -0.021,648 -0.007,649 -0.05,650 0.032,651 -0.035,652 0.042,653 -0.056,654 -0.026,655 -0.036,656 -0.148,657 -0.019,658 -0.086,659 -0.033,660 -0.056,661 2.176,662 5.571,663 0.618,664 41.059,665 1.018,666 1.135,667 2.83,668 8.01,669 0.671,670 3.638,671 3.951,672 4.174,673 4.431,674 4.673,675 4.812,676 4.99,677 5.182,678 5.318,679 5.384,680 7.427,681 0.648,682 485.99,683 3.638,684 5.176,685 6.009,686 6.878,687 7.734,688 8.612,689 9.48,690 10.363,691 11.24,692 12.128,693 8.5,696 1,700 1,701 1,703 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 5,797 0.75,798 3,803 1,810 1,815 1,816 3,820 1,829 1,834 2,839 1,842 1,843 3,847 2,848 1,849 1,851 34,858 4,860 2,861 2,863 1,864 1,873 2,874 5.1,877 1,878 1,879 1,881 17.667,882 11.136,883 7.444,884 3.333,886 3.558,887 1.446,888 0.976,889 7.958,890 11.54,891 3.882,892 4.466,893 5.012,894 5.596,895 6.197,896 6.549,897 6.987,898 7.471,899 7.901,900 8.14,901 1,902 50,903 12.591,905 5.352,906 7.895,907 23.595,909 18.934,911 2.395,912 81.444,916 270.735,917 140.698,918 72.717,919 39.149,920 47.145,921 14.96,923 140.698,924 357.029,925 87.677,926 16.793,927 31.836,928 66.334,929 86.192,930 68.849,931 17.288,932 258.964,933 39.149,934 270.735,935 213.415,936 62.105,937 39.149,939 262.153,940 59.687,941 11,943 63.734,944 97.158,945 91.672,947 285.695,948 119.862,949 179.847,952 270.735,953 48.953,954 94.869,955 36.022,956 134.825,957 270.735,958 134.822,959 179.847,961 0.579,962 0.319,963 0.166,964 0.091,965 23,966 11,967 0.129,968 8,969 1,970 1.095,971 4.437,972 315.404,973 0.095,974 21,975 170.974,981 24.361,982 11.106,983 6.435,984 1.256,985 134.822,986 9.24,987 8.683,991 1.495,993 36.022,994 585.404,995 47.5,1000 12.571,1002 3.254,1004 -0.287,1007 60.047,1008 66.971,1009 0.301,1010 0.694,1011 0.876,1012 0.927,1013 0.927,1014 0.927,1015 5.119,1016 1.869,1017 5.989,1018 5.602,1019 4.635,1020 5.153,1021 2.082,1022 6.765,1023 4.508,1024 6.318,1025 1.549,1026 7.526,1027 5.126,1028 4.205,1029 4.987,1030 0.325,1031 7.573,1032 4.009,1033 7.616,1034 1.414,1035 9.158,1036 4.261,1037 6.196,1038 7.342,1039 1.903,1040 10.659,1041 5.967,1042 8.949,1043 1.315,1044 10.847,1045 3.523,1046 6.553,1047 7.999,1048 0.393,1049 12.29,1050 6.257,1051 10.312,1052 1.094,1053 12.572,1054 3.096,1055 8.019,1056 9.858,1057 1.815,1058 14.895,1059 7.696,1060 11.697,1061 0.989,1062 14.323,1063 2.489,1064 8.751,1065 10.923,1066 0.384,1067 16.899,1068 8.37,1069 13.102,1070 0.618,1071 16.093,1072 2.115,1073 10.001,1074 12.572,1075 1.774,1076 19.33,1077 9.594,1078 3.146,1079 0.424,1080 17.879,1081 1.372,1082 10.924,1083 13.85,1084 0.351,1085 21.511,1086 10.468,1087 2.846,1088 10.562,1089 19.677,1090 1.106,1091 12.085,1092 15.407,1093 1.767,1094 23.878,1095 11.602,1096 2.723,1097 8.973,1098 21.485,1099 4.514,1100 13.104,1101 16.792,1102 0.312,1103 26.144,1104 12.582,1105 2.483,1106 8.314,1107 23.302,1108 3.872,1109 14.232,1110 18.31,1111 1.786,1112 28.49,1113 13.682,1114 2.314,1115 6.999,1116 25.127,1117 3.528,1118 15.3,1119 19.751,1120 0.273,1121 30.797,1122 14.717,1123 2.218,1124 6.816,1125 26.958,1126 3.007,1127 16.419,1128 21.254,1129 1.825,1130 33.139,1131 15.809,1132 2.109,1133 6.034,1134 28.794,1135 2.875,1136 17.514,1137 22.723,1138 0.236,1139 35.467,1140 16.874,1141 15557,1142 27786,1143 24.561,1144 39.563,1145 54.995,1146 56.97,1147 55.654,1148 54.671,1149 54.582,1150 69.734,1151 8.534,1152 153.623,1153 50.851,1154 5.517,1155 5.499,1156 6.204,1157 5.231,1158 5.146,1159 7.514,1160 2.117,1161 17.503,1162 5.041,1163 18.08,1164 1.486,1165 1.54,1166 1.504,1167 1.478,1168 1.475,1169 1.885,1170 0.231,1171 4.152,1172 1.374,1173 4.088,1174 4.118,1175 4.079,1176 3.986,1177 8.201,1178 4,1179 3.891,1180 3.913,1181 3.983,1182 3.82,1183 7.43,1184 3.82,1185 3.784,1186 3.824,1187 3.683,1188 3.6,1189 5.089,1190 3.61,1191 3.745,1192 3.801,1193 3.645,1194 3.577,1195 4.858,1196 3.585,1197 3.525,1198 3.591,1199 3.449,1200 3.288,1201 4.747,1202 3.316,1203 3.362,1204 3.415,1205 3.341,1206 3.168,1207 4.521,1208 3.183,1209 3.121,1210 3.189,1211 3.247,1212 2.928,1213 4.418,1214 2.946,1215 2.999,1216 3.067,1217 3.013,1218 2.804,1219 4.364,1220 2.791,1221 0.124,1222 0.095,1223 0.178,1224 0.111,1225 0.085,1226 4.58,1227 0.122,1228 3.499,1229 0.029,1230 6.591,1231 0.285,1232 4.113,1233 0.082,1234 3.146,1235 4.514,1236 1.058,1237 10.562,1238 3.041,1239 2.013,1240 1.989,1241 2.063,1242 2.132,1243 1.214,1244 2.113,1245 1.856,1246 1.837,1247 1.928,1248 1.952,1249 1.154,1250 1.951,1251 1.699,1252 1.646,1253 1.902,1254 1.902,1255 1.047,1256 1.907,1257 1.565,1258 1.516,1259 1.803,1260 1.761,1261 1.033,1262 1.771,1263 1.435,1264 1.364,1265 1.665,1266 1.694,1267 0.793,1268 1.682,1269 1.319,1270 1.266,1271 1.577,1272 1.609,1273 0.699,1274 1.597,1275 1.263,1276 1.208,1277 1.44,1278 1.487,1279 0.469,1280 1.488,1281 1.044,1282 0.986,1283 1.417,1284 1.289,1285 0.46,1286 1.308,1287 4.317,1289 5.631,1290 2.398,1291 7.122,1292 4.443,1293 8.705,1294 6.26,1295 10.342,1297 3.841,1298 5.912,1299 13.552,1303 2.506,1305 6.034,1306 11.549,1308 -0.113,1309 1.95,1314 38.257,1315 104.576,1316 240.863,1317 303.957,1318 321.566,1319 321.566,1320 321.566,1321 72.926,1322 7.981,1323 88.61,1324 88.61,1325 23,1326 12.661,1327 4.322,1328 3.524,1329 56.504,1330 146,1331 166,1332 0.183,1333 237.63,1334 417.87,1335 571.578,1336 32653,1337 3.4,1338 24.079,1339 0.708,1340 0.577,1341 23.709,1342 19.603,1343 16.385,1344 0.443,1345 0.301,1346 10.578,1347 15.275,1348 10.289,1349 8.518,1350 16.263,1351 11.141,1352 15.028,1353 0.295,1354 0.167,1355 14.94,1356 8.506,1357 11.845,1358 0.185,1359 0.084,1360 11.446,1361 5.388,1362 9.611,1363 0.116,1364 0.043,1365 9.78,1366 3.6,1367 7.652,1368 0.072,1369 0.021,1370 7.561,1371 2.187,1372 0.285,1373 107.252,1374 0.202,1375 31.382,1376 0.507,1377 176,1378 623.122,1379 213.726,1380 596.032,1381 786.68,1382 556,1383 203,1384 538.678,1385 238.133,1386 548.304,1387 799.81,1388 512,1389 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 6,238 2,246 5,249 1,250 3,258 3,264 1,272 1,276 406,277 13.301,278 13.301,279 13.301,280 13.301,281 13.301,282 11.29,283 13.8,284 8.033,285 13.665,286 10.342,287 10.342,288 10.342,289 10.342,290 10.342,291 7.367,292 23.856,293 3.745,294 10.834,295 3.483,296 1.853,297 1.047,298 0.297,299 0.149,300 0.149,301 3.697,304 1,305 1,306 1,307 325,308 2.121,312 139.655,316 72.993,319 1.08,320 10.068,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 40.5,332 150,333 4.501,334 3.116,335 6.515,336 4.015,337 3.047,338 4.433,339 0.86,340 10.242,341 2.952,342 4.064,343 2.886,344 5.619,345 3.635,346 2.672,347 3.671,348 0.4,349 7.769,350 2.572,351 3.542,352 2.447,353 5.226,354 3.127,355 2.191,356 2.926,358 6.431,359 2.046,360 3.257,361 1.983,362 4.857,363 2.814,364 1.863,365 2.528,367 5.404,368 1.766,369 3.118,370 1.618,371 4.139,372 2.573,373 1.618,374 2.427,376 3.764,377 1.544,378 2.769,379 1.328,380 3.594,381 2.246,382 1.274,383 1.902,385 2.834,386 1.235,387 2.681,388 1.264,389 3.499,390 2.197,391 1.218,392 1.763,394 2.642,395 1.189,396 2.343,397 0.941,398 3.329,399 1.851,400 0.888,401 1.273,403 2.08,404 0.853,405 1.584,406 0.924,407 2.858,408 1.295,409 0.43,410 0.482,412 0.627,413 0.368,414 1.377,415 0.164,416 2.67,417 0.981,418 0.043,419 0.056,421 0.113,422 0.041,423 0.9,424 -0.372,425 2.335,426 0.433,427 -0.523,428 -0.719,430 -1.238,431 -0.497,432 0.882,433 -0.492,434 2,435 0.346,436 -0.618,437 -0.927,439 -1.478,440 -0.593,441 0.598,442 -0.618,443 2,444 0.165,445 -0.781,446 -1,448 -1.776,449 -0.723,450 0.529,451 -0.894,452 1.711,453 0.05,454 -0.934,455 -1.337,457 -2.337,458 -0.918,459 0.223,460 -1.157,461 1.599,462 -0.247,463 -1.209,464 -1.737,466 -3.228,467 -1.163,468 9.033,469 0.475,470 0.307,471 0.016,472 29.5,473 1.553,474 17,475 0.895,476 12.5,477 0.658,478 9.966,479 0.525,480 19.167,481 0.599,482 18.202,483 0.958,484 6.058,485 0.319,486 3.307,487 0.174,488 0.055,490 0.277,496 0.912,497 1.241,498 0.729,499 1.011,500 0.864,501 0.87,502 1.222,503 0.967,504 0.889,505 0.884,506 1.028,507 0.858,508 1.135,509 1.25,510 0.977,511 1.054,512 1,513 1.002,514 0.909,515 1.146,516 1.065,517 1.088,518 0.936,519 1.091,520 1.138,521 0.883,522 1.04,523 0.837,524 1.159,525 0.898,526 0.721,527 0.903,528 1.015,529 0.995,530 0.85,531 1.03,532 0.812,533 0.937,534 0.866,535 1.012,536 0.831,537 0.958,538 1.355,539 0.903,540 1.206,541 1.088,542 1.281,543 1.129,544 3,545 0.012,546 1.556,547 1.063,548 0.778,549 0.333,550 0.183,551 0.161,552 0.086,553 0.041,554 3281,555 8765,556 2.145,557 40.6,559 11,561 1,562 1,567 1.604,568 2.073,569 3.009,570 -0.301,572 1,574 1,577 48.536,578 1.517,579 3.147,580 3.953,581 4.703,582 4.851,583 4.851,584 2.394,585 3.932,586 4.224,587 3.087,588 527.8,589 7.195,590 5151.62,591 1,592 1,594 1,595 160,596 1.105,597 4.207,598 0.143,599 0.012,600 0.056,601 0.038,602 0.034,603 0.017,604 0.01,605 0.01,606 0.008,607 0.008,608 0.335,609 0.67,610 1,611 0.671,612 81.803,613 -0.045,614 -0.169,615 0.056,616 -0.07,617 -0.076,618 -0.004,619 -0.045,620 0.081,621 -0.008,622 0.052,623 -0.027,624 0.022,625 -0.132,626 -0.222,627 -0.071,628 -0.119,629 -0.084,630 -0.094,631 0.055,632 -0.12,633 -0.114,634 -0.16,635 0.014,636 -0.164,637 -0.181,638 0.109,639 -0.041,640 0.116,641 -0.156,642 0.073,643 0.063,644 0.071,645 -0.067,646 -0.021,647 0.018,648 -0.05,649 0.039,650 -0.035,651 0.13,652 -0.004,653 0.12,654 0.068,655 -0.011,656 0.014,657 -0.184,658 -0.111,659 -0.072,660 -0.16,661 0.876,662 1.707,663 0.842,664 11.296,665 1.002,666 1.118,667 3.397,668 11.538,669 0.696,670 3.091,671 3.367,672 3.638,673 3.892,674 4.111,675 4.06,676 4.143,677 4.22,678 4.277,679 4.143,680 4.772,681 0.669,682 251.31,683 3.091,684 4.595,685 5.434,686 6.293,687 7.148,688 8.014,689 8.873,690 9.742,691 10.603,692 11.474,693 9.4,701 1,703 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 3,797 0.667,798 1,810 1,816 3,820 1,843 2,847 1,851 19,860 1,861 1,874 3.1,879 1,881 9.167,882 6.067,883 4.306,884 1.747,886 3.416,887 1.516,888 1.01,889 3.192,890 10.037,891 3.418,892 4.043,893 4.67,894 5.282,895 5.857,896 6.04,897 6.426,898 6.838,899 7.244,900 7.281,901 1,902 28,903 6.941,905 2.849,906 7.623,907 13.266,909 10.469,911 2.123,912 40.333,913 0.001,916 141.253,917 110.357,918 51.582,920 11,923 110.357,924 152.253,925 51.582,926 10.883,928 75.81,929 45.342,930 50.347,931 2.328,932 129.482,934 141.253,935 161.939,936 11,939 141.253,940 11,943 28.773,944 99.594,945 33.571,947 141.253,948 62.582,949 110.357,952 141.253,953 15.045,954 95.312,955 18.011,956 44.571,957 141.253,958 62.582,959 110.357,961 0.563,962 0.336,963 0.189,964 0.103,965 14,966 5,967 0.088,968 3,969 1,970 1.125,971 3.209,972 139.202,973 0.125,974 16,975 80.711,981 11.785,982 5.145,983 2.453,984 1.913,985 62.582,986 17.202,987 8.536,991 2.533,993 18.011,994 314.192,995 29.5,1007 32.051,1008 35.78,1009 0.303,1010 0.629,1011 0.791,1012 0.941,1013 0.97,1014 0.97,1015 4.598,1016 0.888,1017 5.38,1018 2.642,1019 4.043,1020 4.727,1021 1.029,1022 6.146,1023 3.959,1024 5.797,1025 0.43,1026 6.901,1027 2.08,1028 3.434,1029 4.407,1031 6.952,1032 3.313,1033 7.091,1034 0.043,1035 8.524,1036 0.627,1037 5.58,1038 6.985,1039 0.763,1040 10.054,1041 5.423,1042 8.426,1043 -0.523,1044 10.21,1045 0.113,1046 5.832,1047 7.545,1049 11.734,1050 5.636,1051 9.794,1052 -0.618,1053 11.939,1054 -1.238,1055 7.396,1056 9.537,1057 0.597,1058 14.329,1059 7.176,1060 11.186,1061 -0.781,1062 13.697,1063 -1.478,1064 8.077,1065 10.549,1067 16.376,1068 7.82,1069 12.599,1070 -0.934,1071 15.477,1072 -1.776,1073 9.379,1074 12.268,1075 0.47,1076 18.796,1077 9.1,1078 3.047,1079 -1.209,1080 17.273,1081 -2.337,1082 10.276,1083 13.516,1085 21.001,1086 9.961,1087 2.672,1088 10.242,1089 19.083,1090 -3.228,1091 11.46,1092 15.105,1093 0.367,1094 23.359,1095 11.121,1096 2.191,1097 7.769,1098 20.904,1099 4.433,1100 12.463,1101 16.472,1103 25.631,1104 12.089,1105 1.863,1106 6.431,1107 22.733,1108 3.671,1109 13.596,1110 18.002,1111 0.283,1112 27.967,1113 13.197,1114 1.618,1115 5.404,1116 24.569,1117 2.926,1118 14.651,1119 19.428,1121 30.269,1122 14.218,1123 1.274,1124 3.764,1125 26.411,1126 2.528,1127 15.764,1128 20.932,1129 0.217,1130 32.598,1131 15.305,1132 1.218,1133 2.834,1134 28.259,1135 2.427,1136 16.844,1137 22.388,1139 34.912,1140 16.352,1141 3185,1142 5300,1143 14.504,1144 22.279,1145 30.429,1146 30.941,1147 31.277,1148 30.42,1149 30.487,1150 42.922,1151 2.52,1152 83.813,1153 29.128,1154 5.264,1155 5.116,1156 6.204,1157 5.09,1158 5.047,1159 7.433,1160 1.72,1161 17.08,1162 4.952,1163 5.45,1164 1.449,1165 1.473,1166 1.489,1167 1.449,1168 1.452,1169 2.044,1170 0.12,1171 3.991,1172 1.387,1173 4.064,1174 4.099,1175 4.029,1176 3.972,1177 5.083,1178 3.981,1179 3.882,1180 3.907,1181 3.825,1182 3.805,1183 4.862,1184 3.806,1185 3.413,1186 3.474,1187 3.334,1188 3.237,1189 4.487,1190 3.255,1191 3.254,1192 3.319,1193 3.098,1194 2.979,1195 4.398,1196 2.995,1197 3.071,1198 3.146,1199 2.958,1200 2.893,1201 4.085,1202 2.898,1203 2.852,1204 2.918,1205 2.719,1206 2.731,1207 3.723,1208 2.72,1209 2.752,1210 2.827,1211 2.551,1212 2.608,1213 3.502,1214 2.584,1215 2.608,1216 2.673,1217 2.495,1218 2.474,1219 3.485,1220 2.471,1221 0.214,1222 0.148,1223 0.31,1224 0.191,1225 0.145,1226 4.501,1227 0.211,1228 3.116,1229 0.041,1230 6.515,1231 0.488,1232 4.015,1233 0.141,1234 3.047,1235 4.433,1236 0.86,1237 10.242,1238 2.952,1239 2.012,1240 1.984,1241 2.086,1242 2.124,1243 1.177,1244 2.113,1245 1.864,1246 1.841,1247 1.974,1248 1.967,1249 1.051,1250 1.97,1251 1.356,1252 1.298,1253 1.574,1254 1.571,1255 0.576,1256 1.566,1257 1.197,1258 1.124,1259 1.496,1260 1.501,1261 0.474,1262 1.516,1263 1.029,1264 0.966,1265 1.235,1266 1.254,1267 0.25,1268 1.252,1269 0.865,1270 0.805,1271 1.131,1272 1.039,1273 0.192,1274 1.074,1275 0.775,1276 0.706,1277 1.051,1278 0.968,1279 0.126,1280 1.003,1281 0.61,1282 0.547,1283 0.884,1284 0.791,1286 0.826,1287 3.761,1289 5.043,1291 6.547,1293 8.149,1295 9.798,1297 1.652,1305 3.291,1306 5.207,1314 21.413,1315 48.536,1316 100.716,1317 126.49,1318 150.49,1319 155.245,1320 155.245,1321 18.03,1322 6.621,1323 47.04,1324 47.04,1325 18,1326 12.019,1327 4.17,1328 3.248,1329 27.765,1330 54,1331 54,1332 0.256,1333 133.435,1334 218.95,1335 317.342,1336 6038,1338 13.079,1339 0.688,1340 0.553,1341 13.079,1342 10.499,1343 9.365,1344 0.446,1345 0.285,1346 5.884,1347 9.011,1348 5.728,1349 4.802,1350 9.365,1351 5.975,1352 7.942,1353 0.284,1354 0.146,1355 7.942,1356 4.096,1357 6.828,1358 0.185,1359 0.078,1360 6.828,1361 2.875,1362 5.78,1363 0.12,1364 0.04,1365 5.78,1366 1.942,1367 4.772,1368 0.08,1369 0.022,1370 4.772,1371 1.295,1372 0.391,1373 58.619,1374 0.263,1375 18.846,1376 0.731,1377 98,1378 285.359,1379 106.485,1380 279.147,1381 390.09,1382 264,1383 114,1384 292.729,1385 122.486,1386 300.034,1387 433.49,1388 281,1389 5.1}
{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 2,237 2,238 3,241 1,246 4,249 3,250 4,252 1,253 2,255 2,258 5,260 2,263 1,264 3,269 2,272 3,274 2,276 1326,277 19.894,278 19.894,279 19.894,280 19.894,281 19.894,282 17.208,283 19.544,284 11.582,285 20.561,286 15.674,287 15.674,288 15.674,289 15.674,290 15.674,291 11.487,292 28.736,293 5.284,294 16.592,295 3.867,296 1.682,297 0.915,298 0.5,299 0.415,300 0.373,301 4.105,305 1,306 1,307 637,308 3.24,311 64.597,312 244.753,315 114.293,319 1.577,320 29.436,323 1,324 0.83,325 1,326 0.6,328 1,329 1,330 0.78,331 64,332 297,333 4.586,334 3.539,335 6.596,336 4.095,337 3.157,338 4.52,339 0.98,340 10.565,341 2.979,342 4.32,343 3.232,344 6.393,345 3.937,346 2.959,347 3.963,348 0.86,349 9.731,350 2.899,351 4.278,352 3.136,353 6.24,354 3.833,355 2.884,356 3.924,357 0.86,358 9.36,359 2.714,360 3.854,361 2.692,362 5.942,363 3.461,364 2.512,365 3.302,366 0.4,367 8.327,368 2.37,369 3.517,370 2.583,371 5.275,372 3.091,373 2.148,374 2.867,376 6.464,377 2.017,378 3.303,379 2.181,380 4.822,381 2.805,382 1.845,383 2.559,385 5.02,386 1.759,387 2.991,388 2.098,389 4.513,390 2.525,391 1.615,392 2.22,394 4.455,395 1.465,396 2.919,397 1.568,398 4.328,399 2.477,400 1.511,401 2.057,403 4.029,404 1.453,405 2.876,406 1.477,407 3.796,408 2.398,409 1.427,410 2.036,412 3.177,413 1.383,414 2.549,415 1.309,416 3.626,417 2.014,418 1.063,419 1.573,421 2.469,422 1.008,423 2.532,424 1.121,425 3.466,426 1.985,427 1,428 1.476,430 2.305,431 0.976,432 2.169,433 0.972,434 3.425,435 1.663,436 0.755,437 1.036,439 1.978,440 0.683,441 1.868,442 0.931,443 3.038,444 1.531,445 0.631,446 0.764,448 1.174,449 0.563,450 1.454,451 0.773,452 2.897,453 1.185,454 0.336,455 0.366,457 0.448,458 0.283,459 1.361,460 0.267,461 2.688,462 0.96,463 0.021,464 0.027,466 0.055,467 0.019,468 13.4,469 0.462,470 0.657,471 0.023,472 43.25,473 1.491,474 23,475 0.793,476 20.25,477 0.698,478 19.601,479 0.676,480 30.4,481 0.647,482 34.392,483 1.186,484 8.951,485 0.309,486 5.15,487 0.178,488 0.129,490 0.366,496 0.919,497 1.409,498 0.702,499 1.094,500 0.775,501 0.882,502 1.063,503 0.886,504 0.766,505 0.782,506 0.665,507 0.732,508 1.093,509 1.281,510 0.913,511 1.012,512 0.996,513 0.928,514 0.93,515 1.143,516 1.044,517 1.174,518 0.881,519 1.147,520 1.164,521 1.095,522 1.053,523 0.94,524 1.027,525 0.964,526 0.716,527 0.934,528 0.857,529 0.874,530 0.672,531 0.882,532 0.786,533 0.942,534 0.876,535 0.901,536 0.767,537 0.893,538 0.817,539 1.103,540 1.028,541 1.211,542 1.012,543 1.18,544 5.5,545 0.164,546 3.556,547 1.813,548 1.8,549 1.021,550 0.659,551 0.562,552 0.404,553 0.218,554 9979,555 30958,556 2.09,557 38.3,559 12,560 1,561 2,562 3,567 1.725,568 1.955,569 3.341,570 0.96,571 1,572 1,577 79.304,578 1.687,579 3.872,580 4.639,581 5.054,582 5.139,583 5.182,584 2.76,585 4.444,586 4.83,587 3.496,588 1419.3,589 8.442,590 18817.4,592 1,594 1,595 261.066,596 1.416,597 4.788,598 0.172,599 0.009,600 0.079,601 0.038,602 0.039,603 0.024,604 0.015,605 0.013,606 0.011,607 0.009,608 0.409,609 0.33,610 1,611 0.9,612 145.456,613 -0.121,614 -0.247,615 0.042,616 -0.104,617 -0.141,618 -0.008,619 -0.012,620 0.201,621 0.105,622 0.185,623 0.074,624 0.161,625 -0.114,626 -0.189,627 -0.056,628 -0.053,629 -0.088,630 -0.037,631 0.032,632 -0.054,633 -0.167,634 -0.231,635 0.027,636 -0.254,637 -0.18,638 -0.109,639 -0.069,640 0.023,641 -0.129,642 0.005,643 0.098,644 0.098,645 0.096,646 0.086,647 0.094,648 0.089,649 0.035,650 0.072,651 0.069,652 0.08,653 0.011,654 0.09,655 0.117,656 -0.119,657 -0.077,658 -0.22,659 0.06,660 -0.201,661 2.251,662 4.722,663 0.724,664 25.42,665 1.019,666 1.13,667 2.059,668 4.238,669 0.68,670 3.497,671 3.829,672 4.143,673 4.419,674 4.635,675 4.771,676 4.949,677 5.1,678 5.215,679 5.328,680 6.248,681 0.669,682 390.44,683 3.497,684 5.043,685 5.911,686 6.799,687 7.683,688 8.577,689 9.466,690 10.363,691 11.256,692 12.155,693 12.8,700 1,701 2,703 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 6,797 0.75,798 3,809 1,810 1,815 1,816 3,819 1,843 3,847 2,851 29,852 1,860 1,861 2,874 6.4,877 1,879 2,881 14.833,882 9.133,883 6.5,884 2.444,886 4.256,887 1.547,888 1.004,889 5.229,890 12.03,891 3.807,892 4.457,893 5.11,894 5.732,895 6.281,896 6.668,897 7.165,898 7.64,899 8.028,900 8.468,901 0.857,902 48,903 10.62,905 4.483,906 7.862,907 19.768,909 15.679,911 2.362,912 68.5,915 1,916 176.567,917 136.028,918 102.551,920 47.145,923 136.028,924 223.711,925 102.551,926 21.766,927 32.897,928 65.905,929 105.464,930 80.906,931 14.099,932 141.253,934 176.567,935 238.579,936 47.145,939 176.567,940 47.145,943 76.66,944 111.562,945 50.357,947 176.567,948 149.696,949 136.028,952 176.567,953 30.262,954 107.052,955 18.011,956 130.398,957 176.567,958 149.696,959 136.028,961 0.578,962 0.355,963 0.197,964 0.101,965 22,966 10,967 0.12,968 6,969 1,970 1.095,971 3.941,972 264.231,973 0.095,974 21,975 140.881,981 19.024,982 7.971,983 3.69,984 0.67,985 148.409,986 15.597,987 13.266,991 3.689,993 50.908,994 462.29,995 44,1000 11.722,1004 -0.585,1007 47.894,1008 53.109,1009 0.304,1010 0.697,1011 0.835,1012 0.91,1013 0.925,1014 0.933,1015 5.034,1016 1.511,1017 5.9,1018 4.455,1019 4.511,1020 5.145,1021 1.824,1022 6.737,1023 4.406,1024 6.262,1025 1.427,1026 7.476,1027 4.029,1028 4.111,1029 4.997,1031 7.689,1032 3.969,1033 7.585,1034 1.063,1035 9.152,1036 3.177,1037 6.129,1038 7.423,1039 1.626,1040 10.788,1041 5.931,1042 8.948,1043 1,1044 10.886,1045 2.469,1046 6.567,1047 8.121,1049 12.543,1050 6.322,1051 10.342,1052 0.755,1053 12.657,1054 2.305,1055 8.036,1056 9.998,1057 1.481,1058 15.143,1059 7.748,1060 11.758,1061 0.631,1062 14.451,1063 1.978,1064 8.846,1065 11.09,1067 17.216,1068 8.507,1069 13.192,1070 0.336,1071 16.262,1072 1.174,1073 10.1,1074 12.741,1075 1.36,1076 19.639,1077 9.721,1078 3.157,1079 0.021,1080 18.084,1081 0.448,1082 11.078,1083 14.027,1085 21.848,1086 10.647,1087 2.959,1088 10.565,1089 19.914,1090 0.055,1091 12.246,1092 15.578,1093 1.257,1094 24.206,1095 11.773,1096 2.884,1097 9.731,1098 21.751,1099 4.52,1100 13.3,1101 16.962,1103 26.476,1104 12.776,1105 2.512,1106 9.36,1107 23.593,1108 3.963,1109 14.436,1110 18.471,1111 1.169,1112 28.811,1113 13.867,1114 2.148,1115 8.327,1116 25.438,1117 3.924,1118 15.525,1119 19.905,1121 31.11,1122 14.905,1123 1.845,1124 6.464,1125 27.287,1126 3.302,1127 16.649,1128 21.4,1129 1.094,1130 33.439,1131 15.982,1132 1.615,1133 5.02,1134 29.138,1135 2.867,1136 17.756,1137 22.861,1139 35.754,1140 17.038,1141 9636,1142 17110,1143 21.383,1144 31.966,1145 47.932,1146 49.16,1147 49.964,1148 47.608,1149 47.728,1150 65.378,1151 6.2,1152 139.109,1153 45.144,1154 5.378,1155 5.539,1156 6.277,1157 5.175,1158 5.157,1159 7.52,1160 1.96,1161 17.58,1162 4.979,1163 14.32,1164 1.498,1165 1.536,1166 1.561,1167 1.488,1168 1.492,1169 2.043,1170 0.194,1171 4.347,1172 1.411,1173 4.129,1174 4.18,1175 4.105,1176 3.972,1177 7.437,1178 3.997,1179 3.894,1180 3.924,1181 3.854,1182 3.787,1183 5.126,1184 3.8,1185 3.873,1186 3.899,1187 3.831,1188 3.743,1189 4.924,1190 3.761,1191 3.357,1192 3.405,1193 3.286,1194 3.172,1195 4.915,1196 3.191,1197 3.321,1198 3.378,1199 3.244,1200 3.049,1201 4.804,1202 3.085,1203 3.247,1204 3.314,1205 3.07,1206 2.954,1207 4.506,1208 2.963,1209 3.182,1210 3.261,1211 3.051,1212 2.921,1213 4.49,1214 2.945,1215 3.054,1216 3.127,1217 2.901,1218 2.851,1219 4.231,1220 2.861,1221 0.143,1222 0.111,1223 0.206,1224 0.128,1225 0.099,1226 4.586,1227 0.141,1228 3.539,1229 0.031,1230 6.596,1231 0.33,1232 4.095,1233 0.093,1234 3.157,1235 4.52,1236 0.98,1237 10.565,1238 2.979,1239 1.957,1240 1.932,1241 2.021,1242 2.108,1243 1.139,1244 2.079,1245 1.848,1246 1.818,1247 1.936,1248 1.983,1249 0.986,1250 1.97,1251 1.718,1252 1.68,1253 1.796,1254 1.894,1255 0.888,1256 1.87,1257 1.396,1258 1.341,1259 1.576,1260 1.59,1261 0.584,1262 1.585,1263 1.197,1264 1.141,1265 1.574,1266 1.525,1267 0.574,1268 1.539,1269 1.191,1270 1.128,1271 1.531,1272 1.523,1273 0.525,1274 1.504,1275 1.188,1276 1.114,1277 1.386,1278 1.484,1279 0.274,1280 1.487,1281 0.946,1282 0.869,1283 1.158,1284 1.223,1285 0.176,1286 1.214,1287 4.174,1289 5.501,1290 2.398,1291 7.033,1292 4.595,1293 8.658,1294 6.605,1295 10.332,1297 3.157,1301 5.457,1305 3.088,1306 10.685,1314 31.434,1315 79.304,1316 182.007,1317 218.046,1318 237.556,1319 241.556,1320 243.556,1321 43.555,1322 7.774,1323 116.66,1324 116.66,1325 23,1326 12.679,1327 4.585,1328 3.7,1329 44.446,1330 108,1331 113,1332 0.202,1333 193.597,1334 324.85,1335 464.136,1336 25127,1338 20.38,1339 0.703,1340 0.544,1341 20.38,1342 15.787,1343 14.101,1344 0.441,1345 0.271,1346 8.493,1347 13.338,1348 8.285,1349 6.911,1350 14.101,1351 8.688,1352 12.444,1353 0.277,1354 0.135,1355 12.444,1356 6.079,1357 10.86,1358 0.175,1359 0.071,1360 10.86,1361 4.372,1362 9.308,1363 0.114,1364 0.036,1365 9.308,1366 2.965,1367 7.278,1368 0.071,1369 0.019,1370 7.278,1371 1.898,1372 0.311,1373 89.964,1374 0.216,1375 27.084,1376 0.573,1377 154,1378 513.432,1379 173.572,1380 489.9,1381 674.9,1382 460,1383 184,1384 504.446,1385 204.102,1386 509.988,1387 745.97,1388 477,1389 5.8}
{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 8,238 3,246 2,250 2,258 7,264 1,272 3,276 1112,277 18.654,278 18.654,279 18.654,280 18.654,281 18.654,282 16.187,283 19.118,284 10.719,285 19.305,286 15.266,287 15.266,288 15.266,289 15.266,290 15.266,291 11.457,292 21.577,293 5.067,294 16.502,295 3.189,296 1.461,297 0.689,298 0.216,299 0.216,300 0.216,301 4.069,302 2,306 1,307 659,308 2.55,312 301.744,316 114.555,319 1.745,320 45.737,323 0.75,324 0.83,325 0.83,326 0.3,328 0.83,329 1,330 0.65,331 62.167,332 304,333 4.659,334 4.62,335 7.045,336 4.27,337 3.3,338 4.28,339 3.37,340 12.073,341 3.195,342 4.265,343 3.709,344 6.252,345 3.817,346 2.906,347 3.894,348 1.208,349 9.257,350 2.633,351 4.146,352 3.398,353 6.088,354 3.716,355 2.786,356 3.648,357 0.618,358 8.827,359 2.561,360 3.818,361 3.258,362 5.582,363 3.343,364 2.406,365 3.147,367 7.21,368 2.237,369 3.456,370 2.94,371 5.197,372 3.061,373 2.136,374 2.745,376 6.279,377 1.929,378 3.318,379 2.8,380 4.913,381 2.859,382 1.934,383 2.481,385 5.588,386 1.763,387 3.232,388 2.623,389 4.841,390 2.707,391 1.879,392 2.474,394 5.104,395 1.664,396 3.15,397 2.376,398 4.646,399 2.703,400 1.743,401 2.222,403 4.741,404 1.441,405 2.839,406 2.108,407 4.127,408 2.363,409 1.415,410 1.945,412 3.648,413 1.347,414 2.817,415 1.524,416 4.057,417 2.34,418 1.351,419 1.916,421 3.312,422 1.309,423 2.536,424 1.309,425 3.542,426 1.813,427 0.871,428 1.291,430 2.117,431 0.8,432 1.915,433 1.178,434 3.085,435 1.29,436 0.398,437 0.508,439 0.971,440 0.338,441 1.597,442 1.113,443 2.973,444 1.186,445 0.288,446 0.363,448 0.691,449 0.232,450 1.272,451 0.832,452 2.564,453 0.751,454 -0.151,455 -0.204,457 -0.374,458 -0.125,459 1,460 0.445,461 2.407,462 0.473,463 -0.347,464 -0.445,466 -0.757,467 -0.229,468 13.867,469 0.495,470 0.822,471 0.029,472 38,473 1.357,474 20,475 0.714,476 18,477 0.643,478 22.586,479 0.807,480 28.133,481 0.76,482 29.769,483 1.063,484 7.754,485 0.277,486 5.681,487 0.203,488 0.168,490 0.389,494 2,496 0.545,497 0.806,498 0.518,499 0.692,500 0.533,501 0.676,502 0.664,503 0.945,504 0.658,505 0.829,506 0.596,507 0.805,508 1.041,509 1.056,510 1.087,511 1.075,512 0.981,513 0.926,514 0.972,515 0.954,516 1.174,517 1.072,518 0.92,519 1.004,520 0.753,521 0.916,522 1.028,523 1.166,524 0.786,525 1.015,526 0.972,527 0.769,528 1.043,529 0.838,530 0.908,531 1.041,532 0.932,533 0.837,534 1.172,535 1.059,536 0.85,537 1.233,538 0.817,539 0.849,540 0.508,541 0.761,542 0.963,543 0.901,544 6,545 0.182,546 3.556,547 2.563,548 2.524,549 0.826,550 0.764,551 0.443,552 0.222,553 0.269,554 9437,555 40448,556 2.072,557 24.3,559 8,561 1,567 1.711,568 1.909,569 3.35,570 -0.671,577 74.755,578 2.02,579 3.749,580 4.52,581 4.993,582 4.993,583 4.993,584 2.901,585 4.138,586 4.778,587 3.537,588 1337.15,589 8.312,590 17189.3,595 192.75,596 1.497,597 4.723,598 0.194,599 0.008,600 0.079,601 0.052,602 0.055,603 0.018,604 0.021,605 0.017,606 0.01,607 0.013,608 0.468,609 0.33,610 0.88,611 0.616,612 139.301,613 -0.003,614 -0.001,615 0.004,616 0.02,617 -0.043,618 0.007,619 -0.014,620 -0.083,621 0.004,622 -0.022,623 0.011,624 -0.056,625 -0.159,626 -0.085,627 -0.098,628 -0.05,629 -0.119,630 0.012,631 -0.02,632 -0.013,633 -0.099,634 -0.058,635 0.022,636 -0.098,637 0.132,638 -0.1,639 -0.011,640 -0.258,641 0.068,642 -0.157,643 -0.141,644 0.038,645 -0.11,646 0.038,647 -0.133,648 -0.074,649 -0.089,650 0.025,651 -0.137,652 -0.04,653 -0.065,654 -0.072,655 0.13,656 0.191,657 0.483,658 0.398,660 0.336,661 2.353,662 5.899,663 0.786,664 25.98,665 1.049,666 1.115,667 5.495,668 30.19,669 0.798,670 3.466,671 3.829,672 4.127,673 4.431,674 4.7,675 4.727,676 4.844,677 5.037,678 5.17,679 5.215,680 6.335,681 0.784,682 436.28,683 3.466,684 5.03,685 5.9,686 6.801,687 7.689,688 8.594,689 9.489,690 10.395,691 11.295,692 12.202,693 8.1,696 1,702 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 1,797 0.75,798 1,816 4,820 1,834 3,835 1,843 3,844 1,845 1,848 2,849 2,851 28,862 1,864 1,873 4,874 2.7,877 1,881 14.667,882 7.005,883 6.028,884 2.077,886 3.464,887 1.445,888 1.025,889 5.174,890 11.246,891 3.761,892 4.382,893 4.977,894 5.55,895 6.112,896 6.353,897 6.709,898 7.156,899 7.537,900 7.841,901 1,902 49,903 10.378,905 4.657,906 8.204,907 18.782,909 15.489,911 2.704,912 75.722,916 105.94,917 158.397,918 36.45,919 78.297,920 25.145,921 29.92,922 32.22,923 126.177,924 209.382,925 66.371,928 75.81,929 54.118,930 69.615,931 29.92,932 126.388,933 78.297,934 105.94,935 162.627,936 55.065,937 110.517,939 135.86,940 25.145,943 36.45,944 104.468,945 100.007,946 32.22,947 135.86,948 61.595,949 236.694,952 105.94,953 73.968,954 87.43,956 166.811,957 105.94,958 91.515,959 236.694,961 0.594,962 0.354,963 0.198,964 0.112,965 23,966 11,967 0.075,968 3,969 1,970 1.091,971 3.842,972 253.772,973 0.091,974 22,975 128.606,977 1,981 19.037,982 7.61,983 3.701,985 91.515,986 8.234,991 -0.132,994 434.149,995 42,1000 12.431,1002 4.53,1003 8.19,1004 0.593,1007 38.8,1008 41.268,1009 0.388,1010 0.72,1011 0.868,1012 0.958,1013 0.958,1014 0.958,1015 5.024,1016 1.743,1017 5.911,1018 5.104,1019 4.511,1020 5.069,1021 3.31,1022 6.765,1023 4.36,1024 6.262,1025 1.415,1026 7.499,1027 4.741,1028 4.205,1029 4.913,1031 7.756,1032 3.93,1033 7.59,1034 1.351,1035 9.187,1036 3.648,1037 6.146,1038 7.27,1039 5.574,1040 10.894,1041 5.884,1042 8.95,1043 0.871,1044 10.934,1045 3.312,1046 6.621,1047 7.89,1049 12.737,1050 6.261,1051 10.34,1052 0.398,1053 12.719,1054 2.117,1055 8.072,1056 9.739,1057 7.985,1058 15.422,1059 7.719,1060 11.752,1061 0.288,1062 14.532,1063 0.971,1064 8.916,1065 10.745,1067 17.636,1068 8.495,1069 13.182,1070 -0.151,1071 16.367,1072 0.691,1073 10.179,1074 12.37,1075 10.413,1076 20.173,1077 9.752,1078 3.3,1079 -0.347,1080 18.22,1081 -0.374,1082 11.196,1083 13.577,1085 22.546,1086 10.723,1087 2.906,1088 12.073,1089 20.087,1090 -0.757,1091 12.39,1092 15.097,1093 12.843,1094 25.039,1095 11.902,1096 2.786,1097 9.257,1098 21.966,1099 4.28,1100 13.488,1101 16.409,1103 27.478,1104 12.968,1105 2.406,1106 8.827,1107 23.855,1108 3.894,1109 14.659,1110 17.88,1111 15.272,1112 29.962,1113 14.121,1114 2.136,1115 7.21,1116 25.753,1117 3.648,1118 15.797,1119 19.248,1121 32.428,1122 15.232,1123 1.934,1124 6.279,1125 27.659,1126 3.147,1127 16.965,1128 20.697,1129 17.702,1130 34.912,1131 16.38,1132 1.879,1133 5.588,1134 29.57,1135 2.745,1136 18.121,1137 22.096,1139 37.391,1140 17.513,1141 9030,1142 18837,1143 20.403,1144 29.517,1145 48.27,1146 51.825,1147 49.211,1148 47.199,1149 46.83,1150 61.825,1151 10.391,1152 139.634,1153 42.898,1154 5.486,1155 6.62,1156 6.59,1157 5.404,1158 5.3,1159 7.28,1160 6.74,1161 19.503,1162 5.195,1163 15.262,1164 1.557,1165 1.672,1166 1.587,1167 1.523,1168 1.511,1169 1.994,1170 0.335,1171 4.504,1172 1.384,1173 4.021,1174 4.042,1175 4.149,1176 3.958,1177 8.211,1178 3.954,1179 3.897,1180 3.915,1181 4.051,1182 3.851,1183 8.191,1184 3.834,1185 3.771,1186 3.805,1187 3.802,1188 3.66,1189 7.431,1190 3.668,1191 3.419,1192 3.448,1193 3.582,1194 3.289,1195 5.023,1196 3.286,1197 3.062,1198 3.11,1199 3.535,1200 2.95,1201 4.836,1202 2.93,1203 2.934,1204 2.968,1205 3.16,1206 2.849,1207 4.632,1208 2.815,1209 2.901,1210 2.934,1211 3.066,1212 2.824,1213 4.496,1214 2.803,1215 2.885,1216 2.918,1217 2.916,1218 2.733,1219 4.358,1220 2.733,1221 0.15,1222 0.149,1223 0.227,1224 0.138,1225 0.106,1226 4.659,1227 0.138,1228 4.62,1229 0.109,1230 7.045,1231 0.389,1232 4.27,1233 0.103,1234 3.3,1235 4.28,1236 3.37,1237 12.073,1238 3.195,1239 1.952,1240 1.939,1241 1.985,1242 2.047,1243 1.152,1244 2.035,1245 1.86,1246 1.845,1247 1.917,1248 1.944,1249 1.038,1250 1.945,1251 1.722,1252 1.69,1253 1.807,1254 1.849,1255 0.883,1256 1.848,1257 1.337,1258 1.31,1259 1.439,1260 1.522,1261 0.467,1262 1.504,1263 1.004,1264 0.959,1265 1.121,1266 1.178,1267 0.188,1268 1.171,1269 0.865,1270 0.827,1271 1.114,1272 1.068,1273 0.16,1274 1.08,1275 0.849,1276 0.825,1277 1,1278 0.989,1279 0.105,1280 1.004,1281 0.835,1282 0.802,1283 0.869,1284 0.962,1285 0.073,1286 0.979,1287 4.143,1289 5.493,1291 7.047,1293 8.699,1295 10.401,1298 12.496,1299 26.974,1307 1.018,1309 1.389,1314 29.022,1315 74.755,1316 138.711,1317 167.24,1318 184.75,1319 184.75,1320 184.75,1321 65.282,1322 7.782,1323 47.26,1324 72.56,1325 24,1326 12.72,1327 4.17,1328 3.585,1329 42.438,1330 108,1331 114,1332 0.198,1333 185.822,1334 339.84,1335 445.166,1336 25663,1337 10.8,1338 19.836,1339 0.708,1340 0.578,1341 19.449,1342 16.195,1343 13.436,1344 0.433,1345 0.306,1346 7.912,1347 11.887,1348 7.662,1349 6.261,1350 13.617,1351 9.471,1352 12.589,1353 0.28,1354 0.168,1355 12.874,1356 7.576,1357 10.617,1358 0.174,1359 0.09,1360 11.159,1361 5.52,1362 9.166,1363 0.11,1364 0.049,1365 10.128,1366 4.053,1367 7.701,1368 0.071,1369 0.026,1370 8.564,1371 2.785,1372 0.308,1373 94.793,1374 0.221,1375 26.455,1376 0.554,1377 152,1378 622.16,1379 225.339,1380 631.651,1381 821.71,1382 584,1383 182,1384 531.755,1385 244.079,1386 560.053,1387 827.23,1388 527,1389 5.1}
{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 6,237 2,238 3,242 1,243 2,246 3,250 4,253 1,258 2,264 3,267 2,269 1,272 3,276 1117,277 17.508,278 17.508,279 17.508,280 17.508,281 17.508,282 15.102,283 9.931,284 9.968,285 17.991,286 14.211,287 14.211,288 14.211,289 14.211,290 14.211,291 10.454,292 6.141,293 4.577,294 15.1,295 3.276,296 1.122,297 0.427,298 0.262,299 0.262,300 0.262,301 4.011,302 1,305 1,306 1,307 566,308 4,311 58.129,312 162.885,315 109.256,319 1.556,320 63.062,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 61.833,332 270,333 4.724,334 4.459,335 6.959,336 4.283,337 3.307,338 4.565,340 11.67,341 3.247,342 4.647,343 3.72,344 6.747,345 4.139,346 3.194,347 4.496,349 11.053,350 2.988,351 4.416,352 3.21,353 6.525,354 3.929,355 2.974,356 4.166,358 10.176,359 2.821,360 3.788,361 3,362 5.766,363 3.358,364 2.398,365 3.218,367 7.61,368 2.292,369 3.556,370 2.71,371 5.372,372 3.077,373 2.175,374 2.938,376 6.414,377 1.937,378 3.401,379 2.628,380 4.959,381 2.92,382 2.002,383 2.727,385 5.783,386 1.752,387 3.073,388 1.949,389 4.652,390 2.592,391 1.639,392 2.306,394 4.574,395 1.549,396 2.782,397 1.727,398 4.324,399 2.273,400 1.306,401 1.885,403 3.618,404 1.248,405 2.533,406 1.261,407 3.878,408 2.117,409 1.127,410 1.482,412 2.556,413 1.113,414 2.182,415 1.238,416 3.602,417 1.977,418 1.015,419 1.16,421 1.918,422 0.956,423 2.03,424 0.882,425 3.229,426 1.471,427 0.545,428 0.778,430 1.353,431 0.489,432 1.598,433 0.757,434 3.02,435 1.254,436 0.338,437 0.405,439 0.807,440 0.304,441 1.17,442 0.74,443 2.749,444 0.744,445 -0.179,446 -0.223,448 -0.442,449 -0.148,450 1,451 0.407,452 2.568,453 0.448,454 -0.397,455 -0.52,457 -0.789,458 -0.283,459 0.999,460 0.19,461 2.375,462 0.429,463 -0.494,464 -0.527,466 -0.931,467 -0.439,468 12.819,469 0.475,470 0.941,471 0.035,472 36.25,473 1.343,474 19,475 0.704,476 17.25,477 0.639,478 21.809,479 0.808,480 29.781,481 0.726,482 30.411,483 1.126,484 6.951,485 0.257,486 5.78,487 0.214,488 0.217,489 0.065,490 0.351,494 2,496 0.545,497 1.045,498 0.652,499 1.107,500 0.589,501 0.838,502 0.601,503 1.008,504 0.811,505 1.044,506 0.576,507 0.906,508 1.049,509 1.064,510 0.963,511 0.993,512 1.044,513 0.902,514 1.154,515 1.098,516 0.967,517 1.031,518 1.161,519 0.836,520 1.193,521 1,522 0.86,523 0.827,524 1.299,525 0.876,526 1.309,527 1.321,528 0.95,529 1.085,530 1.408,531 0.992,532 1.103,533 1.251,534 0.806,535 0.882,536 1.06,537 1.024,538 1.14,539 1.143,540 1.028,541 1.063,542 1.106,543 1.037,544 7,545 0.132,546 4,547 2.882,548 2.138,549 1.08,550 0.94,551 0.494,552 0.351,553 0.195,554 7608,555 31568,556 1.963,557 34.1,558 3,559 5,560 1,561 1,562 2,564 2,567 1.706,568 1.77,569 3.28,570 0.377,572 1,577 85.36,578 2.082,579 4.235,580 4.93,581 5.095,582 5.095,583 5.095,584 2.718,585 4.533,586 4.726,587 3.426,588 1202.48,589 8.23,590 14929.7,592 1,594 1,595 219.66,596 1.74,597 4.637,598 0.241,599 0.01,600 0.093,601 0.064,602 0.048,603 0.026,604 0.025,605 0.015,606 0.013,607 0.01,608 0.545,609 0.33,610 1,611 1.385,612 131.774,614 -0.071,615 0.107,616 -0.061,617 -0.074,618 0.039,619 0.086,620 -0.084,621 -0.019,622 -0.062,623 0.106,624 0.007,625 -0.131,626 -0.118,627 -0.028,628 -0.02,629 -0.118,630 0.06,631 0.016,632 0.042,633 -0.024,634 0.018,635 0.078,636 0.084,637 -0.032,638 0.004,639 -0.026,640 0.083,641 -0.038,642 0.007,643 -0.117,644 -0.097,645 -0.024,646 -0.121,647 -0.212,648 -0.068,649 0.149,650 0.049,651 -0.013,652 0.019,653 0.193,654 -0.127,655 -0.05,656 -0.017,657 0.079,658 -0.026,659 -0.064,660 -0.02,661 4.731,662 6.786,663 0.556,664 22.217,665 1.046,666 1.136,667 2.526,668 6.381,669 0.71,670 3.401,671 3.784,672 4.043,673 4.331,674 4.511,675 4.585,676 4.7,677 4.787,678 4.754,679 4.762,680 5.899,681 0.699,682 413.86,683 3.401,684 4.977,685 5.838,686 6.751,687 7.633,688 8.548,689 9.44,690 10.356,691 11.253,692 12.168,693 7.3,698 1,701 1,703 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 3,797 0.667,798 3,809 1,811 1,815 1,816 2,819 1,843 2,845 1,847 1,848 1,849 2,851 27,855 1,858 2,860 1,873 3,874 7.3,877 3,881 15.25,882 7.712,883 5.861,884 2.453,886 3.302,887 1.454,888 1.005,889 5.406,890 10.574,891 3.714,892 4.416,893 4.972,894 5.604,895 6.116,896 6.447,897 6.841,898 7.227,899 7.379,900 7.689,901 0.857,902 45,903 10.447,905 5.068,906 8.464,907 18.068,909 15.038,911 2.964,912 80.028,915 1,916 141.253,917 104.883,918 49.976,919 39.149,920 69.458,921 29.92,922 5.807,923 99.075,924 249.86,925 79.896,926 8.825,927 3.434,928 43.284,929 121.268,930 59.276,931 41.691,932 117.711,933 39.149,934 141.253,935 149.051,936 99.378,937 44.956,939 147.631,940 93,943 39.808,944 76.053,945 78.147,947 171.173,948 119.434,949 144.031,951 5.807,952 141.253,953 43.727,954 55.349,955 33.191,956 155.312,957 141.253,958 149.354,959 144.031,961 0.596,962 0.348,963 0.191,964 0.098,965 21,966 11,967 0.14,968 6,969 1,970 1.133,971 3.627,972 235.898,973 0.133,974 15,975 126.382,980 1,981 19.589,982 7.451,983 3.92,984 0.617,985 132.569,986 5.835,987 3.99,988 2.728,991 -3.55,993 33.191,994 434.639,995 40,998 -3.814,1000 36.519,1004 -0.961,1007 42.898,1008 46.573,1009 0.389,1010 0.791,1011 0.92,1012 0.951,1013 0.951,1014 0.951,1015 4.977,1016 1.306,1017 5.894,1018 4.574,1019 4.466,1020 5.103,1022 6.792,1023 4.357,1024 6.261,1025 1.127,1026 7.52,1027 3.618,1028 4.369,1029 5.33,1031 8.019,1032 4.188,1033 7.643,1034 1.015,1035 9.251,1036 2.556,1037 6.196,1038 7.508,1040 11.06,1041 6.005,1042 9.065,1043 0.545,1044 11.04,1045 1.918,1046 6.858,1047 8.488,1049 13.027,1050 6.609,1051 10.516,1052 0.338,1053 12.864,1054 1.353,1055 8.243,1056 10.229,1058 15.659,1059 7.981,1060 11.987,1061 -0.179,1062 14.712,1063 0.807,1064 9.207,1065 11.509,1067 17.899,1068 8.901,1069 13.473,1070 -0.397,1071 16.576,1072 -0.442,1073 10.446,1074 13.1,1076 20.4,1077 10.119,1078 3.307,1079 -0.494,1080 18.452,1081 -0.789,1082 11.533,1083 14.504,1085 22.748,1086 11.169,1087 3.194,1088 11.67,1089 20.337,1090 -0.931,1091 12.723,1092 16.04,1094 25.202,1095 12.335,1096 2.974,1097 11.053,1098 22.229,1099 4.565,1100 13.859,1101 17.498,1103 27.595,1104 13.44,1105 2.398,1106 10.176,1107 24.127,1108 4.496,1109 15.035,1110 19.012,1112 30.033,1113 14.591,1114 2.175,1115 7.61,1116 26.028,1117 4.166,1118 16.192,1119 20.494,1121 32.448,1122 15.721,1123 2.002,1124 6.414,1125 27.934,1126 3.218,1127 17.364,1128 22.001,1130 34.881,1131 16.87,1132 1.639,1133 5.783,1134 29.842,1135 2.938,1136 18.531,1137 23.494,1139 37.306,1140 18.012,1141 7624,1142 15673,1143 18.205,1144 29.091,1145 44.355,1146 47.401,1147 46.895,1148 44.271,1149 44.04,1150 60.252,1152 135.065,1153 41.391,1154 5.574,1155 6.459,1156 6.676,1157 5.326,1158 5.307,1159 7.565,1161 19.344,1162 5.247,1163 17.232,1164 1.529,1165 1.635,1166 1.617,1167 1.527,1168 1.519,1169 2.078,1171 4.657,1172 1.427,1173 4.134,1174 4.162,1175 4.723,1176 4.042,1177 8.21,1178 4.042,1179 4.02,1180 4.013,1181 4.141,1182 3.963,1183 8.191,1184 3.89,1185 3.836,1186 3.833,1187 3.89,1188 3.767,1189 7.716,1190 3.723,1191 3.435,1192 3.478,1193 3.659,1194 3.321,1195 7.427,1196 3.321,1197 3.392,1198 3.441,1199 3.24,1200 3.23,1201 6.999,1202 3.185,1203 3.138,1204 3.164,1205 3.155,1206 2.94,1207 5.103,1208 2.964,1209 2.937,1210 2.985,1211 2.936,1212 2.723,1213 4.66,1214 2.748,1215 2.789,1216 2.857,1217 2.808,1218 2.594,1219 4.502,1220 2.613,1221 0.163,1222 0.154,1223 0.24,1224 0.148,1225 0.114,1226 4.724,1227 0.157,1228 4.459,1230 6.959,1231 0.402,1232 4.283,1233 0.112,1234 3.307,1235 4.565,1237 11.67,1238 3.247,1239 1.941,1240 1.935,1241 1.968,1242 2.044,1243 1.273,1244 2.055,1245 1.851,1246 1.838,1247 1.904,1248 1.973,1249 1.104,1250 1.969,1251 1.748,1252 1.747,1253 1.877,1254 1.88,1255 1.001,1256 1.906,1257 1.499,1258 1.451,1259 1.623,1260 1.702,1261 0.7,1262 1.691,1263 1.33,1264 1.292,1265 1.376,1266 1.547,1267 0.631,1268 1.593,1269 1.083,1270 1.047,1271 1.202,1272 1.282,1273 0.275,1274 1.265,1275 0.841,1276 0.814,1277 1.068,1278 1.096,1279 0.19,1280 1.102,1281 0.825,1282 0.773,1283 0.999,1284 0.997,1285 0.096,1286 1.001,1287 4.078,1289 5.442,1290 2.398,1291 6.995,1292 4.727,1293 8.636,1294 6.843,1295 10.324,1297 1.644,1298 5.876,1299 29.029,1303 0.076,1305 2.039,1314 28.677,1315 85.36,1316 173.644,1317 202.15,1318 208.905,1319 208.905,1320 208.905,1321 96.218,1322 7.271,1323 91.92,1324 100.3,1325 17,1326 12.683,1327 4.322,1328 3.585,1329 46.765,1330 93,1331 109,1332 0.246,1333 182.473,1334 316.99,1335 436.993,1336 12953,1337 7.3,1338 19.767,1339 0.732,1340 0.577,1341 18.777,1342 15.587,1343 12.731,1344 0.439,1345 0.342,1346 7.923,1347 11.074,1348 7.606,1349 6.276,1350 13.035,1351 9.92,1352 12.312,1353 0.286,1354 0.188,1355 13.071,1356 8.064,1357 9.756,1358 0.174,1359 0.098,1360 9.888,1361 5.482,1362 8.468,1363 0.113,1364 0.052,1365 8.641,1366 3.917,1367 6.216,1368 0.069,1369 0.025,1370 6.326,1371 2.255,1372 0.377,1373 92.697,1374 0.234,1375 25.434,1376 0.705,1377 144,1378 626.803,1379 212.35,1380 598.762,1381 768.64,1382 546,1383 171,1384 494.02,1385 242.126,1386 528.44,1387 773.65,1388 494,1389 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 4,238 2,241 1,246 2,249 1,250 7,264 3,269 1,276 1118,277 18.809,278 18.809,279 18.809,280 18.809,281 18.809,282 17.006,283 29.266,284 10.996,285 19.439,286 15.29,287 15.29,288 15.29,289 15.29,290 15.29,291 12.456,292 45.306,293 5.275,294 16.348,295 3.707,296 1.508,297 0.685,298 0.538,299 0.538,300 0.538,301 4.071,304 1,305 1,306 1,307 725,308 2.646,312 326.922,316 122.023,319 2.258,320 47.37,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 64,332 333,333 4.511,334 3.782,335 6.734,336 4.157,337 3.204,338 4.091,339 1.2,340 10.867,341 3.052,342 4.235,343 3.282,344 6.118,345 3.799,346 2.865,347 3.882,348 0.86,349 8.932,350 2.662,351 3.961,352 2.974,353 5.888,354 3.606,355 2.663,356 3.373,357 0.86,358 8.094,359 2.512,360 3.616,361 2.772,362 5.532,363 3.405,364 2.435,365 2.836,366 0.4,367 7.439,368 2.358,369 3.468,370 2.74,371 5.272,372 3.077,373 2.159,374 2.741,375 0.293,376 6.317,377 1.972,378 3.332,379 2.441,380 4.996,381 2.985,382 2.037,383 2.49,385 5.932,386 1.912,387 3.272,388 2.355,389 4.942,390 2.903,391 1.979,392 2.364,394 5.686,395 1.813,396 2.836,397 1.977,398 4.206,399 2.379,400 1.44,401 1.964,403 3.747,404 1.336,405 2.612,406 1.907,407 3.955,408 2.278,409 1.414,410 1.587,412 3.039,413 1.211,414 2.437,415 1.599,416 3.595,417 2.036,418 1.097,419 1.435,421 2.912,422 1.022,423 2,424 1.2,425 3.265,426 1.969,427 1,428 1,430 2.136,431 0.963,432 1.896,433 1.029,434 3.247,435 1.454,436 0.506,437 0.626,439 1.223,440 0.466,441 1.644,442 0.786,443 3.087,444 1.263,445 0.315,446 0.389,448 0.787,449 0.297,450 1.358,451 0.431,452 2.843,453 1.031,454 0.112,455 0.137,457 0.276,458 0.102,459 0.912,460 0.235,461 2.642,462 0.655,463 -0.264,464 -0.294,466 -0.685,467 -0.241,468 12.671,469 0.453,470 0.75,471 0.027,472 36,473 1.286,474 16.5,475 0.589,476 19.5,477 0.696,478 22.217,479 0.793,480 31.129,481 0.677,482 28.614,483 1.022,484 7.218,485 0.258,486 6.29,487 0.225,488 0.111,490 0.387,494 2,496 0.694,497 1.195,498 0.638,499 1.188,500 0.537,501 0.964,502 0.833,503 0.93,504 0.77,505 0.983,506 0.581,507 0.888,508 0.984,509 1.1,510 0.927,511 1.028,512 0.842,513 0.97,514 0.947,515 0.786,516 0.991,517 0.835,518 0.891,519 0.891,520 0.804,521 0.887,522 0.884,523 0.912,524 0.681,525 0.914,526 0.76,527 0.797,528 0.982,529 0.861,530 0.819,531 0.946,532 0.75,533 1.096,534 0.92,535 1.193,536 0.811,537 1.144,538 0.924,539 0.954,540 1.137,541 1.101,542 1.046,543 1.18,544 6,545 0.07,546 3.111,547 2,548 2.013,549 0.785,550 0.889,551 0.512,552 0.312,553 0.211,554 10193,555 33537,556 2.094,557 39.1,559 12,561 1,562 1,565 4,567 1.709,568 1.953,569 3.505,570 -0.252,571 1,572 1,577 83.56,578 1.817,579 4.015,580 4.839,581 4.985,582 4.985,583 4.985,584 3.067,585 4.084,586 4.773,587 3.676,588 1389.44,589 8.294,590 18222,592 1,594 1,595 254.084,596 1.432,597 4.736,598 0.194,599 0.005,600 0.071,601 0.043,602 0.052,603 0.021,604 0.024,605 0.015,606 0.011,607 0.011,608 0.446,609 0.33,610 1,611 0.573,612 140.899,613 -0.064,614 -0.199,615 0.047,616 -0.132,617 -0.031,618 -0.03,619 -0.035,620 -0.006,621 0.061,622 -0.002,623 0.03,624 0.042,625 -0.021,626 -0.154,627 0.014,628 -0.062,629 0.016,630 -0.022,631 -0.017,632 0.102,633 -0.003,634 0.077,635 0.042,636 0.056,637 0.006,638 -0.055,639 0.04,640 0.026,641 0.01,642 0.044,643 0.069,644 0.127,645 -0.079,646 0.053,647 0.086,648 -0.03,649 -0.026,650 -0.194,651 -0.037,652 -0.18,653 -0.017,654 -0.133,655 0.08,656 0.094,657 -0.133,658 -0.112,659 0.056,660 -0.186,661 2.561,662 5.842,663 0.786,664 30.352,665 1.032,666 1.144,667 2.956,668 8.738,669 0.66,670 3.466,671 3.807,672 4.078,673 4.331,674 4.605,675 4.654,676 4.787,677 4.963,678 5.106,679 5.147,680 6.802,681 0.657,682 388.41,683 3.466,684 5.017,685 5.872,686 6.753,687 7.625,688 8.511,689 9.391,690 10.28,691 11.164,692 12.056,693 8.7,698 1,700 1,703 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 4,797 0.75,798 3,810 1,816 4,820 1,830 1,834 2,842 1,843 3,847 1,849 2,851 28,858 4,860 1,861 2,863 1,864 1,873 2,874 6.5,877 1,878 1,879 1,881 14.333,882 8.636,883 6.056,884 2.741,886 2.669,887 1.346,888 0.983,889 5.248,890 10.371,891 3.689,892 4.263,893 4.8,894 5.319,895 5.882,896 6.109,897 6.435,898 6.843,899 7.188,900 7.421,901 1,902 46,903 10.454,905 4.645,906 8.113,907 19.22,909 15.806,911 2.613,912 73.167,916 200.109,917 110.449,918 54.706,920 47.145,921 29.92,923 110.449,924 247.253,925 84.626,926 8.396,927 17.378,928 37.905,929 109.446,930 46.718,931 34.147,932 188.338,934 200.109,935 165.155,936 77.065,939 182.945,940 83.229,941 11,943 28.325,944 70.529,945 66.301,947 230.029,948 101.851,949 110.449,952 200.109,953 55.1,954 58.473,955 18.011,956 110.636,957 200.109,958 131.771,959 110.449,961 0.589,962 0.344,963 0.181,964 0.103,965 22,966 10,967 0.082,968 4,969 1,970 1.091,971 3.975,972 245.873,973 0.091,974 22,975 130.606,981 18.789,982 7.82,983 4.012,985 131.771,986 4.447,987 8.719,991 -0.466,993 18.011,994 442.329,995 39,1000 12.611,1002 1.443,1004 -0.596,1007 47.483,1008 52.622,1009 0.329,1010 0.727,1011 0.876,1012 0.903,1013 0.903,1014 0.903,1015 4.949,1016 1.44,1017 5.866,1018 5.686,1019 4.489,1020 4.949,1021 1.968,1022 6.678,1023 4.361,1024 6.147,1025 1.414,1026 7.43,1027 3.747,1028 4.111,1029 4.771,1030 0.325,1031 7.548,1032 3.922,1033 7.454,1034 1.097,1035 9.089,1036 3.039,1037 6.089,1038 7.081,1039 1.913,1040 10.658,1041 5.851,1042 8.791,1043 1,1044 10.805,1045 2.912,1046 6.494,1047 7.677,1048 0.653,1049 12.325,1050 6.199,1051 10.159,1052 0.506,1053 12.556,1054 2.136,1055 7.961,1056 9.497,1057 1.991,1058 14.968,1059 7.62,1060 11.548,1061 0.315,1062 14.332,1063 1.223,1064 8.737,1065 10.46,1066 1.001,1067 16.998,1068 8.341,1069 12.953,1070 0.112,1071 16.126,1072 0.787,1073 9.999,1074 12.07,1075 2.144,1076 19.473,1077 9.556,1078 3.204,1079 -0.264,1080 17.936,1081 0.276,1082 10.96,1083 13.226,1084 1.37,1085 21.679,1086 10.464,1087 2.865,1088 10.867,1089 19.757,1090 -0.685,1091 12.139,1092 14.731,1093 2.352,1094 24.091,1095 11.597,1096 2.663,1097 8.932,1098 21.589,1099 4.091,1100 13.192,1101 15.991,1102 1.754,1103 26.383,1104 12.598,1105 2.435,1106 8.094,1107 23.429,1108 3.882,1109 14.341,1110 17.443,1111 2.601,1112 28.772,1113 13.701,1114 2.159,1115 7.439,1116 25.278,1117 3.373,1118 15.439,1119 18.761,1120 2.143,1121 31.108,1122 14.75,1123 2.037,1124 6.317,1125 27.132,1126 2.836,1127 16.581,1128 20.184,1129 2.879,1130 33.49,1131 15.845,1132 1.979,1133 5.932,1134 28.993,1135 2.741,1136 17.703,1137 21.535,1138 2.535,1139 35.848,1140 16.92,1141 9651,1142 17723,1143 20.69,1144 30.353,1145 47.133,1146 48.743,1147 47.877,1148 46.583,1149 46.454,1150 57.831,1151 7.226,1152 134.772,1153 43.354,1154 5.511,1155 5.782,1156 6.536,1157 5.241,1158 5.204,1159 7.091,1160 2.293,1161 18.408,1162 5.052,1163 13.532,1164 1.52,1165 1.572,1166 1.544,1167 1.503,1168 1.499,1169 1.866,1170 0.233,1171 4.347,1172 1.399,1173 4.008,1174 4.043,1175 3.98,1176 3.863,1177 8.211,1178 3.886,1179 3.884,1180 3.912,1181 3.852,1182 3.769,1183 8.191,1184 3.784,1185 3.799,1186 3.845,1187 3.685,1188 3.638,1189 7.428,1190 3.641,1191 3.476,1192 3.521,1193 3.435,1194 3.244,1195 5.004,1196 3.287,1197 3.226,1198 3.301,1199 3.097,1200 2.998,1201 4.728,1202 3.004,1203 3.111,1204 3.206,1205 2.964,1206 2.941,1207 4.61,1208 2.91,1209 3.059,1210 3.113,1211 2.873,1212 2.786,1213 4.299,1214 2.819,1215 2.917,1216 2.963,1217 2.866,1218 2.733,1219 4.091,1220 2.737,1221 0.146,1222 0.122,1223 0.217,1224 0.134,1225 0.103,1226 4.511,1227 0.132,1228 3.782,1229 0.039,1230 6.734,1231 0.351,1232 4.157,1233 0.098,1234 3.204,1235 4.091,1236 1.2,1237 10.867,1238 3.052,1239 1.901,1240 1.876,1241 2.009,1242 2.075,1243 1.345,1244 2.048,1245 1.835,1246 1.805,1247 1.951,1248 1.982,1249 1.04,1250 1.976,1251 1.762,1252 1.716,1253 1.895,1254 1.936,1255 0.986,1256 1.927,1257 1.356,1258 1.313,1259 1.581,1260 1.625,1261 0.825,1262 1.599,1263 1.195,1264 1.112,1265 1.513,1266 1.443,1267 0.627,1268 1.451,1269 1.153,1270 1.064,1271 1.406,1272 1.376,1273 0.49,1274 1.429,1275 0.958,1276 0.899,1277 1.228,1278 1.27,1279 0.321,1280 1.254,1281 0.862,1282 0.805,1283 1.117,1284 1.069,1285 0.157,1286 1.08,1287 4.143,1289 5.476,1291 7.009,1293 8.635,1295 10.308,1297 1.545,1299 26.895,1303 3.085,1305 3.253,1306 10.707,1308 0.215,1309 1.308,1314 30.211,1315 83.56,1316 184.7,1317 222.574,1318 229.329,1319 229.329,1320 229.329,1321 63.349,1322 7.702,1323 78.27,1324 78.27,1325 24,1326 12.585,1327 3.907,1328 3.17,1329 42.538,1330 117,1331 112,1332 0.185,1333 181.594,1334 327.41,1335 434.85,1336 23520,1337 4.3,1338 19.673,1339 0.703,1340 0.54,1341 17.933,1342 15.115,1343 13.508,1344 0.436,1345 0.285,1346 8.64,1347 12.666,1348 8.52,1349 6.979,1350 12.704,1351 8.85,1352 12.448,1353 0.283,1354 0.149,1355 11.297,1356 6.553,1357 10.617,1358 0.183,1359 0.079,1360 9.763,1361 4.584,1362 8.605,1363 0.115,1364 0.041,1365 7.989,1366 3.061,1367 7.222,1368 0.073,1369 0.021,1370 6.794,1371 2.059,1372 0.291,1373 87.067,1374 0.22,1375 26.866,1376 0.504,1377 150,1378 620.697,1379 175.427,1380 531.617,1381 704.05,1382 496,1383 177,1384 504.635,1385 202.555,1386 490.705,1387 724.33,1388 461,1389 5.1}
{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 2,237 6,238 6,246 6,249 2,250 2,258 5,264 5,272 3,276 988,277 18.049,278 18.049,279 18.049,280 18.049,281 18.049,282 15.07,283 6.656,284 10.553,285 18.546,286 14.857,287 14.857,288 14.857,289 14.857,290 14.857,291 10.401,292 4.873,293 5.066,294 15.729,295 3.662,296 1.631,297 0.677,298 0.122,299 0.122,300 0.122,301 4.022,304 1,305 1,306 1,307 634,308 2.345,311 115.387,312 187.508,315 94.739,316 107.005,319 1.675,320 13.861,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 55.5,332 279,333 4.578,334 4.573,335 6.574,336 4.062,337 3.134,338 4.523,339 2.95,340 10.474,341 2.934,342 4.403,343 3.285,344 6.185,345 3.897,346 2.922,347 4.334,349 9.236,350 2.85,351 4.205,352 2.928,353 6.129,354 3.768,355 2.813,356 3.852,358 9.027,359 2.664,360 3.695,361 2.788,362 5.386,363 3.234,364 2.328,365 3.121,367 6.992,368 2.1,369 3.56,370 2.518,371 5.053,372 3.113,373 2.17,374 2.971,376 6.072,377 2.027,378 3.271,379 2.209,380 4.952,381 2.752,382 1.824,383 2.61,385 5.519,386 1.682,387 3.118,388 1.618,389 4.413,390 2.603,391 1.618,392 2.427,394 4.36,395 1.592,396 2.894,397 1.471,398 4.245,399 2.372,400 1.406,401 2.084,403 3.804,404 1.355,405 2.821,406 1.414,407 4.017,408 2.329,409 1.365,410 1.962,412 3.15,413 1.312,414 2.613,415 1.31,416 3.616,417 2.107,418 1.15,419 1.664,421 2.982,422 1.093,423 2.223,424 0.964,425 3.286,426 1.707,427 0.761,428 1.098,430 1.789,431 0.714,432 2.183,433 0.833,434 3.261,435 1.646,436 0.694,437 1.029,439 1.65,440 0.659,441 2.088,442 0.684,443 3.17,444 1.561,445 0.612,446 0.897,448 1.499,449 0.577,450 1.317,451 0.467,452 2.88,453 0.859,454 -0.029,455 -0.038,457 -0.079,458 -0.025,459 0.929,460 0.121,461 2.543,462 0.474,463 -0.485,464 -0.649,466 -1.219,467 -0.456,468 12.633,469 0.486,470 0.585,471 0.022,472 40,473 1.538,474 22.5,475 0.865,476 17.5,477 0.673,478 16.575,479 0.637,480 25.167,481 0.645,482 26.762,483 1.029,484 7.858,485 0.302,486 4.901,487 0.189,488 0.04,490 0.34,496 0.615,497 1.039,498 0.629,499 0.838,500 0.702,501 0.783,502 0.988,503 1.141,504 0.745,505 0.881,506 0.818,507 0.768,508 1.042,509 1.082,510 1.18,511 1.142,512 1.017,513 1.009,514 1,515 1.017,516 1.064,517 1.032,518 1.052,519 1.045,520 1.069,521 1.017,522 1.152,523 1.053,524 0.899,525 0.919,526 1.42,527 1.177,528 1.184,529 1.028,530 1.244,531 0.92,532 1.116,533 0.875,534 1.305,535 1.113,536 1.117,537 0.948,538 0.776,539 0.967,540 0.732,541 0.886,542 0.759,543 1.003,544 5,545 0.094,546 2.889,547 1.389,548 1.254,549 0.688,550 0.414,551 0.367,552 0.172,553 0.136,554 8952,555 24672,556 2.241,557 33.3,559 10,560 1,561 2,567 1.689,568 2.167,569 3.413,570 -0.684,572 1,577 63.315,578 1.623,579 3.654,580 4.608,581 5.163,582 5.163,583 5.163,584 2.902,585 4.393,586 4.673,587 3.537,588 1149.49,589 8.088,590 14195.1,591 1,592 1,594 1,595 206.131,596 1.142,597 4.66,598 0.167,599 0.006,600 0.067,601 0.035,602 0.037,603 0.021,604 0.013,605 0.013,606 0.007,607 0.007,608 0.373,609 0.33,610 0.88,611 0.362,612 127.048,613 0.244,614 0.012,615 0.08,616 -0.004,617 0.019,618 -0.014,619 0.005,620 -0.084,621 0.117,622 0.023,623 0.016,624 0.058,625 -0.074,626 -0.048,627 -0.074,628 -0.076,629 -0.036,630 -0.083,631 -0.051,632 -0.037,633 -0.027,634 -0.01,635 -0.09,636 -0.067,637 -0.032,638 -0.003,639 0.028,640 0.046,641 0.026,642 0.072,643 -0.303,644 -0.134,645 -0.084,646 0.003,647 -0.159,648 0.012,649 0.134,650 0.223,651 -0.18,652 -0.089,653 0.012,654 -0.055,655 0.092,656 -0.033,657 0.022,658 -0.036,659 0.198,660 -0.055,661 0.956,662 1.682,663 0.923,664 22.385,665 1.011,666 1.119,667 3.63,668 13.178,669 0.743,670 3.434,671 3.784,672 4.094,673 4.394,674 4.615,675 4.71,676 4.89,677 5.081,678 5.198,679 5.252,680 6.261,681 0.716,682 359.45,683 3.434,684 4.99,685 5.861,686 6.751,687 7.635,688 8.528,689 9.416,690 10.311,691 11.202,692 12.097,693 17.9,701 2,703 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 7,797 0.6,807 1,808 1,809 1,815 2,816 3,819 1,820 1,843 3,844 1,845 1,847 1,851 26,862 1,871 1,881 12,882 7.65,883 5.528,884 2.223,886 5.042,887 1.628,888 1.066,889 3.61,890 13.074,891 3.784,892 4.489,893 5.169,894 5.831,895 6.377,896 6.764,897 7.269,898 7.785,899 8.185,900 8.5,901 1,902 40,903 9.512,905 4.091,906 7.596,907 18.24,909 15.124,911 2.096,912 54.5,916 153.024,917 148.71,918 86.378,922 32.22,923 116.491,924 153.024,925 86.378,926 8.396,928 75.381,929 108.695,930 33.939,931 11.771,932 149.931,934 153.024,935 202.869,937 32.22,939 153.024,943 28.345,944 91.087,945 83.438,946 32.22,947 153.024,948 86.378,949 148.71,952 153.024,953 46.838,954 104.813,956 83.438,957 153.024,958 86.378,959 148.71,961 0.588,962 0.346,963 0.192,964 0.103,965 24,966 9,967 0.07,968 3,969 2,970 1.167,971 3.943,972 230.999,973 0.167,974 24,975 122.211,977 1,981 15.354,982 6.114,983 2.841,984 2.776,985 83.438,986 19.487,987 21.742,991 3.563,992 1.756,994 388.113,995 43,1007 39.44,1008 43.654,1009 0.307,1010 0.691,1011 0.872,1012 0.977,1013 0.977,1014 0.977,1015 5.007,1016 1.406,1017 5.844,1018 4.36,1019 4.466,1020 5.176,1021 2.913,1022 6.661,1023 4.357,1024 6.246,1025 1.365,1026 7.399,1027 3.804,1028 4.007,1029 5.007,1031 7.526,1032 3.828,1033 7.569,1034 1.15,1035 9.051,1036 3.15,1037 6.066,1038 7.503,1039 5.027,1040 10.631,1041 5.852,1042 8.931,1043 0.761,1044 10.76,1045 2.982,1046 6.447,1047 8.204,1049 12.335,1050 6.163,1051 10.325,1052 0.694,1053 12.506,1054 1.789,1055 7.946,1056 10.116,1057 7.185,1058 14.928,1059 7.63,1060 11.741,1061 0.612,1062 14.278,1063 1.65,1064 8.715,1065 11.23,1067 16.978,1068 8.334,1069 13.175,1070 -0.029,1071 16.068,1072 1.499,1073 9.983,1074 12.897,1075 9.348,1076 19.391,1077 9.567,1078 3.134,1079 -0.485,1080 17.872,1081 -0.079,1082 10.935,1083 14.21,1085 21.589,1086 10.457,1087 2.922,1088 10.474,1089 19.686,1090 -1.219,1091 12.108,1092 15.772,1093 11.511,1094 23.938,1095 11.588,1096 2.813,1097 9.236,1098 21.509,1099 4.523,1100 13.145,1101 17.177,1103 26.203,1104 12.565,1105 2.328,1106 9.027,1107 23.339,1108 4.334,1109 14.28,1110 18.695,1111 13.675,1112 28.531,1113 13.652,1114 2.17,1115 6.992,1116 25.174,1117 3.852,1118 15.358,1119 20.145,1121 30.827,1122 14.671,1123 1.824,1124 6.072,1125 27.013,1126 3.121,1127 16.479,1128 21.646,1129 15.838,1130 33.151,1131 15.74,1132 1.618,1133 5.519,1134 28.856,1135 2.971,1136 17.577,1137 23.117,1139 35.464,1140 16.779,1141 8108,1142 13651,1143 20.978,1144 28.972,1145 46.04,1146 48.245,1147 46.067,1148 45.693,1149 45.596,1150 65.145,1151 5.9,1152 133.108,1153 43.118,1154 5.351,1155 6.573,1156 6.262,1157 5.224,1158 5.134,1159 7.523,1160 5.9,1161 17.234,1162 4.934,1163 6.8,1164 1.535,1165 1.608,1166 1.536,1167 1.523,1168 1.52,1169 2.172,1170 0.197,1171 4.437,1172 1.437,1173 4.118,1174 4.169,1175 4.196,1176 4.02,1177 5.211,1178 4.015,1179 4.029,1180 4.063,1181 4,1182 3.894,1183 4.988,1184 3.92,1185 3.863,1186 3.934,1187 3.851,1188 3.65,1189 4.941,1190 3.678,1191 3.454,1192 3.49,1193 3.584,1194 3.402,1195 4.449,1196 3.371,1197 3.268,1198 3.333,1199 3.218,1200 3.119,1201 4.346,1202 3.113,1203 3.032,1204 3.114,1205 3.007,1206 2.894,1207 3.96,1208 2.876,1209 2.979,1210 3.043,1211 2.85,1212 2.822,1213 3.908,1214 2.812,1215 2.742,1216 2.825,1217 2.736,1218 2.633,1219 3.743,1220 2.6,1221 0.153,1222 0.152,1223 0.219,1224 0.135,1225 0.104,1226 4.578,1227 0.151,1228 4.573,1229 0.098,1230 6.574,1231 0.349,1232 4.062,1233 0.098,1234 3.134,1235 4.523,1236 2.95,1237 10.474,1238 2.934,1239 2.027,1240 2.006,1241 2.094,1242 2.104,1243 1.213,1244 2.107,1245 1.863,1246 1.823,1247 1.926,1248 2.038,1249 1.02,1250 2.006,1251 1.502,1252 1.446,1253 1.724,1254 1.802,1255 0.777,1256 1.778,1257 1.461,1258 1.412,1259 1.599,1260 1.568,1261 0.671,1262 1.593,1263 1.347,1264 1.286,1265 1.482,1266 1.508,1267 0.568,1268 1.502,1269 1.169,1270 1.121,1271 1.196,1272 1.422,1273 0.305,1274 1.375,1275 0.962,1276 0.904,1277 1.125,1278 1.141,1279 0.204,1280 1.158,1281 0.772,1282 0.695,1283 1.076,1284 1.06,1285 0.049,1286 1.081,1287 4.111,1289 5.451,1290 3.045,1291 6.98,1292 5.352,1293 8.594,1294 7.391,1295 10.254,1297 1.886,1307 1.526,1314 27.917,1315 63.315,1316 142.505,1317 179.724,1318 201.376,1319 201.376,1320 201.376,1321 26.188,1322 8.031,1323 73.79,1324 99.09,1325 28,1326 12.623,1327 4.755,1328 3.807,1329 33.97,1330 97,1331 93,1332 0.169,1333 172.955,1334 270.13,1335 413.771,1336 36896,1338 17.51,1339 0.673,1340 0.563,1341 17.863,1342 14.629,1343 12.759,1344 0.425,1345 0.294,1346 7.949,1347 11.793,1348 7.697,1349 6.39,1350 13.167,1351 8.82,1352 11.732,1353 0.273,1354 0.16,1355 12.401,1356 6.874,1357 10.289,1358 0.174,1359 0.084,1360 11.046,1361 4.945,1362 8.893,1363 0.111,1364 0.045,1365 9.73,1366 3.598,1367 7.233,1368 0.072,1369 0.025,1370 8.181,1371 2.526,1372 0.266,1373 84.097,1374 0.218,1375 25.09,1376 0.465,1377 146,1378 422.376,1379 186.279,1380 439.426,1381 624.83,1382 414,1383 175,1384 478.65,1385 213.339,1386 498.75,1387 729.05,1388 469,1389 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 6,237 3,238 8,243 2,246 7,249 5,250 4,253 2,255 2,258 5,264 6,267 1,269 5,272 5,276 1930,277 20.703,278 20.703,279 20.703,280 20.703,281 20.703,282 18.338,283 24.987,284 12.06,285 21.084,286 16.727,287 16.727,288 16.727,289 16.727,290 16.727,291 12.959,292 29.433,293 5.669,294 17.342,295 4.137,296 1.905,297 1.088,298 0.737,299 0.737,300 0.737,301 4.177,305 1,306 1,307 768,308 4.848,311 76.913,312 205.937,315 143.629,319 1.969,320 51.329,323 1,324 0.83,325 0.83,326 0.8,327 0.5,328 1,329 1,330 0.85,331 72,332 373,333 4.646,334 4.017,335 7.058,336 4.29,337 3.296,338 4.595,339 2.612,340 11.371,341 3.274,342 4.385,343 3.783,344 6.761,345 4.15,346 3.209,347 4.015,348 2.443,349 11.118,350 3.022,351 4.323,352 3.579,353 6.144,354 3.89,355 2.898,356 3.555,357 1.058,358 9.01,359 2.871,360 3.988,361 3.237,362 5.813,363 3.542,364 2.571,365 3.44,366 0.286,367 7.868,368 2.495,369 3.808,370 2.762,371 5.633,372 3.391,373 2.441,374 3.245,376 7.483,377 2.299,378 3.345,379 2.442,380 5.234,381 2.919,382 1.977,383 2.62,385 6.321,386 1.852,387 3.21,388 2.299,389 4.866,390 2.769,391 1.823,392 2.487,394 5.319,395 1.722,396 3.111,397 2.079,398 4.244,399 2.533,400 1.538,401 2.332,403 3.782,404 1.522,405 2.769,406 1.933,407 4.212,408 2.416,409 1.452,410 1.731,412 3.621,413 1.394,414 2.653,415 1.653,416 3.836,417 2.35,418 1.345,419 1.639,421 3.098,422 1.327,423 2.589,424 1.595,425 3.629,426 2.05,427 1.054,428 1.588,430 2.556,431 1.043,432 2.516,433 1.183,434 3.435,435 2,436 1,437 1.469,439 2.321,440 1,441 2.178,442 1.148,443 3.314,444 1.797,445 0.837,446 1.08,448 1.903,449 0.797,450 1.435,451 1,452 2.916,453 1.152,454 0.229,455 0.265,457 0.421,458 0.209,459 1.204,460 0.77,461 2.825,462 0.77,463 -0.19,464 -0.247,466 -0.523,467 -0.18,468 14.6,469 0.456,470 1.076,471 0.034,472 41.75,473 1.305,474 21,475 0.656,476 20.75,477 0.648,478 27.878,479 0.871,480 35.8,481 0.639,482 36.337,483 1.136,484 8.077,485 0.252,486 7.019,487 0.219,488 0.217,489 0.034,490 0.329,496 0.632,497 1.345,498 0.733,499 1.135,500 0.608,501 0.991,502 0.554,503 1.062,504 0.685,505 0.994,506 0.482,507 0.896,508 0.934,509 1.412,510 0.957,511 1.279,512 0.696,513 1.142,514 1.397,515 0.753,516 1.04,517 0.621,518 1.237,519 0.714,520 0.945,521 1.182,522 0.925,523 1.09,524 0.981,525 1.005,526 0.738,527 1.075,528 1.022,529 1.107,530 0.783,531 1.13,532 0.866,533 1.006,534 0.928,535 1.028,536 0.83,537 1.007,538 0.745,539 0.953,540 0.967,541 0.951,542 0.693,543 0.999,544 8.5,545 0.293,546 4.222,547 2.576,548 1.801,549 1.553,550 0.834,551 0.671,552 0.527,553 0.371,554 12885,555 42978,556 1.951,557 42.9,558 9,559 11,562 2,565 2,567 1.748,568 1.77,569 3.521,570 0.27,572 1,577 93.556,578 1.671,579 3.903,580 4.719,581 5.07,582 5.07,583 5.07,584 2.977,585 4.601,586 4.967,587 3.74,588 1854.85,589 8.712,590 27365.6,592 1,594 1,595 325.212,596 1.709,597 4.888,598 0.25,599 0.009,600 0.086,601 0.052,602 0.039,603 0.032,604 0.018,605 0.016,606 0.013,607 0.01,608 0.526,609 0.17,610 1,611 1.476,612 168.214,613 0.047,614 -0.094,615 0.035,616 -0.016,617 -0.053,618 -0.005,619 0.203,620 0.075,621 0.175,622 0.069,623 0.164,624 0.1,625 -0.1,626 -0.332,627 -0.052,628 -0.262,629 -0.007,630 -0.162,631 -0.2,632 0.18,633 0.024,634 0.282,635 -0.15,636 0.222,637 -0.066,638 -0.063,639 -0.025,640 -0.085,641 -0.08,642 -0.048,643 0.154,644 0.005,645 -0.103,646 -0.106,647 0.133,648 -0.163,649 -0.028,650 -0.03,651 0.036,652 -0.019,653 -0.055,654 0.012,655 0.15,656 0.082,657 -0.008,658 0.023,659 0.082,660 -0.025,661 2.576,662 5.709,663 0.469,664 36.977,665 1.022,666 1.132,667 3.594,668 12.917,669 0.649,670 3.555,671 3.912,672 4.127,673 4.344,674 4.595,675 4.71,676 4.883,677 5.024,678 5.106,679 5.17,680 7.274,681 0.636,682 440.5,683 3.555,684 5.118,685 5.958,686 6.847,687 7.716,688 8.608,689 9.488,690 10.383,691 11.27,692 12.167,693 7.1,700 1,701 1,703 1,704 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 4,797 0.667,798 6,799 1,815 1,816 2,819 1,832 1,841 1,843 2,847 3,851 32,857 1,858 3,860 1,861 1,865 1,874 10.7,875 1,877 2,879 1,880 2,881 18.083,882 10.967,883 6.972,884 3.246,886 3.297,887 1.431,888 0.913,889 7.043,890 10.948,891 3.85,892 4.474,893 5.023,894 5.594,895 6.145,896 6.5,897 6.939,898 7.299,899 7.481,900 7.791,901 0.875,902 50,903 11.883,905 5.134,906 8.19,907 21.69,909 17.382,911 2.69,912 86.083,915 1,916 258.964,917 126.719,918 42.365,920 154.72,923 126.719,924 413.684,925 42.365,926 32.146,927 22.651,928 109.017,929 78.971,930 28.128,931 2.144,932 258.964,933 50.747,934 258.964,935 169.084,936 154.72,939 235.422,940 84.832,941 93.43,943 55.069,944 91.56,945 22.456,947 258.964,948 197.085,949 126.719,952 258.964,953 33.909,954 100.378,955 18.011,956 171.506,957 258.964,958 197.085,959 126.719,961 0.591,962 0.332,963 0.16,964 0.095,965 22,966 12,967 0.155,968 9,969 1,970 1.133,971 4.117,972 285.889,973 0.133,974 15,975 153.245,981 23.544,982 9.572,983 5.583,984 1.153,985 189.516,986 10.319,987 4.443,991 0.446,992 1.718,993 60.694,994 582.768,995 46,997 -0.576,1000 46.873,1004 -0.954,1007 57.207,1008 63.402,1009 0.288,1010 0.672,1011 0.813,1012 0.873,1013 0.873,1014 0.873,1015 5.106,1016 1.538,1017 5.999,1018 5.319,1019 4.595,1020 5.162,1021 3.198,1022 6.853,1023 4.527,1024 6.354,1025 1.452,1026 7.601,1027 3.782,1028 4.443,1029 5.198,1030 2.946,1031 8.005,1032 4.362,1033 7.697,1034 1.345,1035 9.312,1036 3.621,1037 6.282,1038 7.422,1039 4.717,1040 11.013,1041 6.153,1042 9.074,1043 1.054,1044 11.085,1045 3.098,1046 6.899,1047 8.232,1048 5.082,1049 12.936,1050 6.762,1051 10.481,1052 1,1053 12.897,1054 2.556,1055 8.294,1056 10.005,1057 6.44,1058 15.531,1059 8.118,1060 11.909,1061 0.837,1062 14.735,1063 2.321,1064 9.228,1065 11.166,1066 7.069,1067 17.751,1068 9.042,1069 13.353,1070 0.229,1071 16.593,1072 1.903,1073 10.469,1074 12.767,1075 8.237,1076 20.218,1077 10.254,1078 3.296,1079 -0.19,1080 18.465,1081 0.421,1082 11.537,1083 14.101,1084 9.001,1085 22.556,1086 11.307,1087 3.209,1088 11.371,1089 20.348,1090 -0.523,1091 12.725,1092 15.636,1093 10.071,1094 24.985,1095 12.472,1096 2.898,1097 11.118,1098 22.241,1099 4.595,1100 13.85,1101 17.056,1102 10.91,1103 27.37,1104 13.581,1105 2.571,1106 9.01,1107 24.141,1108 4.015,1109 15.022,1110 18.569,1111 11.925,1112 29.79,1113 14.733,1114 2.441,1115 7.868,1116 26.047,1117 3.555,1118 16.173,1119 20.033,1120 12.807,1121 32.194,1122 15.867,1123 1.977,1124 7.483,1125 27.958,1126 3.44,1127 17.343,1128 21.54,1129 13.793,1130 34.612,1131 17.02,1132 1.823,1133 6.321,1134 29.874,1135 3.245,1136 18.506,1137 23.029,1138 14.701,1139 37.025,1140 18.167,1141 12946,1142 23852,1143 21.383,1144 36.364,1145 52.031,1146 54.922,1147 53.484,1148 51.322,1149 51.342,1150 68.123,1151 12.799,1152 152.385,1153 49.651,1154 5.503,1155 6.017,1156 6.917,1157 5.362,1158 5.296,1159 7.595,1160 4.612,1161 18.499,1162 5.274,1163 21.712,1164 1.53,1165 1.615,1166 1.573,1167 1.509,1168 1.51,1169 2.004,1170 0.376,1171 4.482,1172 1.46,1173 4.134,1174 4.175,1175 4.107,1176 3.998,1177 7.815,1178 4.019,1179 3.984,1180 4.008,1181 3.951,1182 3.866,1183 7.433,1184 3.875,1185 3.781,1186 3.82,1187 3.691,1188 3.637,1189 7.428,1190 3.638,1191 3.611,1192 3.664,1193 3.544,1194 3.45,1195 6.999,1196 3.449,1197 3.551,1198 3.577,1199 3.46,1200 3.232,1201 6.456,1202 3.28,1203 3.386,1204 3.43,1205 3.293,1206 3.077,1207 5.033,1208 3.142,1209 3.18,1210 3.209,1211 3.109,1212 2.919,1213 4.663,1214 2.962,1215 2.979,1216 3.019,1217 2.878,1218 2.795,1219 4.534,1220 2.798,1221 0.137,1222 0.118,1223 0.208,1224 0.126,1225 0.097,1226 4.646,1227 0.135,1228 4.017,1229 0.077,1230 7.058,1231 0.334,1232 4.29,1233 0.096,1234 3.296,1235 4.595,1236 2.612,1237 11.371,1238 3.274,1239 1.929,1240 1.906,1241 2.019,1242 2.09,1243 1.243,1244 2.054,1245 1.919,1246 1.897,1247 2.01,1248 2.041,1249 1.173,1250 2.031,1251 1.745,1252 1.7,1253 1.967,1254 1.922,1255 1.094,1256 1.933,1257 1.646,1258 1.585,1259 1.858,1260 1.853,1261 1.055,1262 1.851,1263 1.381,1264 1.332,1265 1.511,1266 1.723,1267 0.611,1268 1.651,1269 1.205,1270 1.17,1271 1.417,1272 1.587,1273 0.469,1274 1.524,1275 1.051,1276 1.013,1277 1.417,1278 1.349,1279 0.469,1280 1.317,1281 0.969,1282 0.937,1283 1.312,1284 1.239,1285 0.345,1286 1.308,1287 4.234,1289 5.58,1290 2.398,1291 7.102,1292 4.844,1293 8.705,1294 7.034,1295 10.351,1297 5.247,1302 9.248,1303 0.74,1305 2.677,1306 5.424,1310 -0.674,1314 35.642,1315 93.556,1316 218.551,1317 264.276,1318 283.928,1319 283.928,1320 283.928,1321 97.292,1322 7.652,1323 139.27,1324 139.27,1325 17,1326 12.694,1327 4.392,1328 3.7,1329 60.984,1330 136,1331 128,1332 0.216,1333 221.502,1334 389.72,1335 532.226,1336 21201,1338 23.466,1339 0.733,1340 0.562,1341 23.466,1342 17.993,1343 15.096,1344 0.444,1345 0.294,1346 9.813,1347 14.296,1348 9.505,1349 7.947,1350 15.096,1351 9.992,1352 14.551,1353 0.297,1354 0.168,1355 14.551,1356 8.216,1357 11.144,1358 0.183,1359 0.076,1360 11.144,1361 4.627,1362 8.42,1363 0.111,1364 0.038,1365 8.42,1366 2.918,1367 7.069,1368 0.072,1369 0.021,1370 7.069,1371 2.027,1372 0.338,1373 96.504,1374 0.216,1375 29.842,1376 0.595,1377 166,1378 598.096,1379 189.384,1380 563.254,1381 742.66,1382 518,1383 193,1384 539.017,1385 216.308,1386 535.347,1387 777.6,1388 499,1389 5.1}
{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 21,237 1,238 22,241 2,243 8,246 15,250 19,253 2,255 2,258 18,263 2,264 10,267 2,272 23,276 3014,277 30.299,278 30.299,279 30.299,280 30.299,281 30.299,282 26.829,283 30.107,284 17.014,285 30.897,286 25.625,287 25.625,288 25.625,289 25.625,290 25.625,291 20.015,292 42.947,293 7.961,294 26.559,295 4.68,296 2.443,297 1.325,298 0.729,299 0.49,300 0.382,301 4.548,306 1,307 1118,308 4.359,311 121.185,312 299.889,313 49.544,315 439.111,316 146.694,317 82.085,318 664.026,319 1.508,320 52.322,323 0.75,324 0.5,325 0.83,326 0.7,327 0.5,328 0.83,329 1,330 0.73,331 95,332 482,333 5.138,334 4.043,335 8.024,336 4.739,337 3.793,338 5.289,339 1.336,340 15.536,341 3.613,342 4.75,343 3.795,344 7.474,345 4.443,346 3.479,347 4.71,348 1.2,349 13.722,350 3.327,351 4.543,352 3.694,353 7.021,354 4.175,355 3.21,356 3.989,357 1.157,358 12.03,359 3.099,360 4.285,361 3.386,362 6.766,363 3.998,364 3.028,365 3.729,366 0.947,367 10.942,368 2.937,369 4.182,370 3.266,371 6.561,372 3.864,373 2.885,374 3.608,375 0.86,376 10.12,377 2.819,378 3.862,379 2.917,380 6.172,381 3.482,382 2.514,383 3.419,384 0.297,385 8.82,386 2.422,387 3.744,388 2.719,389 6.05,390 3.376,391 2.404,392 3.089,393 0.293,394 8.417,395 2.342,396 3.578,397 2.675,398 5.919,399 3.265,400 2.314,401 2.882,403 7.954,404 2.182,405 3.524,406 2.377,407 5.707,408 3.125,409 2.134,410 2.818,412 7.212,413 2.106,414 3.291,415 2.209,416 5.427,417 2.877,418 1.915,419 2.546,421 6.136,422 1.842,423 3.083,424 2.086,425 5.061,426 2.697,427 1.736,428 2.21,430 5.186,431 1.668,432 2.996,433 2.041,434 5.018,435 2.633,436 1.648,437 2.113,439 4.93,440 1.604,441 2.91,442 1.899,443 4.776,444 2.534,445 1.575,446 2.082,448 4.553,449 1.499,450 2.86,451 1.524,452 4.615,453 2.389,454 1.401,455 1.962,457 4.114,458 1.383,459 2.712,460 1.486,461 4.108,462 2.301,463 1.336,464 1.774,466 3.097,467 1.287,468 20.767,469 0.472,470 1.342,471 0.03,472 57.5,473 1.307,474 27,475 0.614,476 30.5,477 0.693,478 50.138,479 1.139,480 45.233,481 0.611,482 57.233,483 1.301,484 11.281,485 0.256,486 10.065,487 0.229,488 0.12,489 0.024,490 0.467,496 0.8,497 1.228,498 0.703,499 0.984,500 0.679,501 0.851,502 0.92,503 1.003,504 0.763,505 0.809,506 0.639,507 0.763,508 1.094,509 1.016,510 0.854,511 0.881,512 0.811,513 0.827,514 1.13,515 1.095,516 0.913,517 0.977,518 0.963,519 0.916,520 1.141,521 1.061,522 1.027,523 1.018,524 0.93,525 0.999,526 0.947,527 1.098,528 1.016,529 1.09,530 0.812,531 1.067,532 1.053,533 1.048,534 1.077,535 1.081,536 1.089,537 1.084,538 1.134,539 1.021,540 1.179,541 1.101,542 1.141,543 1.141,544 7,545 0.268,546 5.778,547 5.972,548 4.638,549 3.362,550 2.694,551 1.621,552 0.966,553 0.552,554 27782,555 69378,556 2.223,557 40.5,559 21,560 2,562 2,565 3,566 2,567 1.835,568 2.054,569 3.332,570 0.081,577 113.158,578 1.529,579 3.766,580 4.885,581 5.481,582 5.719,583 5.827,584 2.771,585 5.187,586 5.428,587 3.497,588 3308.49,589 9.693,590 52353.2,595 459.5,596 1.563,597 5.382,598 0.135,599 0.006,600 0.07,601 0.058,602 0.039,603 0.027,604 0.023,605 0.016,606 0.012,607 0.009,608 0.395,609 0.33,610 0.75,611 0.64,612 241.215,613 -0.054,614 -0.131,615 0.066,616 -0.014,617 -0.093,618 0.035,619 0.06,620 0.096,621 0.103,622 0.139,623 0.01,624 0.126,625 -0.019,626 0.056,627 0.052,628 0.071,629 -0.024,630 0.076,631 -0.047,632 -0.046,633 0.007,634 -0.017,635 0.004,636 -0.001,637 -0.047,638 -0.014,639 -0.084,640 -0.063,641 -0.031,642 -0.076,643 0.014,644 -0.092,645 -0.053,646 -0.112,647 0.027,648 -0.097,649 -0.022,650 -0.086,651 -0.063,652 -0.089,653 -0.017,654 -0.083,655 -0.085,656 -0.069,657 -0.15,658 -0.107,659 -0.078,660 -0.133,661 2.486,662 6.891,663 0.795,664 42.955,665 1.007,666 1.114,667 3.358,668 11.275,669 0.692,670 3.97,671 4.431,672 4.898,673 5.371,674 5.79,675 6.161,676 6.562,677 6.93,678 7.229,679 7.519,680 6.401,681 0.669,682 586.69,683 3.97,684 5.602,685 6.555,686 7.535,687 8.515,688 9.51,689 10.503,690 11.505,691 12.505,692 13.512,693 5.4,700 2,701 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 4,797 0.222,798 5,811 2,815 3,816 5,817 1,819 6,820 2,821 1,822 7,841 1,842 2,843 2,847 3,851 44,857 1,858 1,860 1,861 2,863 4,864 1,865 1,874 6.8,875 1,877 2,878 2,881 21.417,882 14.383,883 9.208,884 4.471,886 6.054,887 1.54,888 1.044,889 5.397,890 17.257,891 4.248,892 4.98,893 5.766,894 6.568,895 7.324,896 7.988,897 8.698,898 9.367,899 9.927,900 10.491,901 0.75,902 103,903 16.539,905 7.798,906 7.71,907 31.545,909 28.583,911 2.21,912 97.25,916 329.591,917 191.665,918 24.933,920 114.973,923 191.665,924 444.564,925 24.933,926 28.105,927 23.67,928 165.875,929 81.699,930 23.647,931 32.119,932 306.049,934 329.591,935 216.598,936 114.973,939 294.278,940 85.603,941 64.683,943 36.293,944 180.305,947 329.591,948 139.906,949 191.665,952 329.591,953 40.369,954 158.218,955 18.011,956 114.973,957 329.591,958 139.906,959 191.665,961 0.604,962 0.388,963 0.239,964 0.143,965 50,966 22,967 0.037,968 3,969 10,970 1.486,971 4.64,972 598.099,973 0.571,974 32,975 236.215,981 26.371,982 9.005,983 3.203,984 6.983,985 136.108,986 25.332,991 1.68,992 4.387,993 60.694,994 661.162,995 69,1000 27.482,1004 -0.393,1007 74.531,1008 82.438,1009 0.246,1010 0.606,1011 0.787,1012 0.883,1013 0.921,1014 0.938,1015 5.57,1016 2.314,1017 6.611,1018 8.417,1019 5.118,1020 5.67,1021 2.554,1022 7.626,1023 5.047,1024 6.839,1025 2.134,1026 8.293,1027 7.954,1028 4.977,1029 5.732,1030 1.025,1031 8.967,1032 4.855,1033 8.217,1034 1.915,1035 10.083,1036 7.212,1037 6.919,1038 8.064,1039 2.709,1040 12.207,1041 6.77,1042 9.637,1043 1.736,1044 11.94,1045 6.136,1046 7.621,1047 9.005,1048 1.63,1049 14.394,1050 7.413,1051 11.096,1052 1.648,1053 13.838,1054 5.186,1055 9.086,1056 10.856,1057 2.976,1058 17.219,1059 8.848,1060 12.583,1061 1.575,1062 15.767,1063 4.93,1064 10.139,1065 12.193,1066 2.195,1067 19.729,1068 9.842,1069 14.093,1070 1.401,1071 17.719,1072 4.553,1073 11.46,1074 13.884,1075 3.306,1076 22.45,1077 11.124,1078 3.793,1079 1.336,1080 19.689,1081 4.114,1082 12.654,1083 15.397,1084 2.759,1085 25.084,1086 12.263,1087 3.479,1088 15.536,1089 21.673,1090 3.097,1091 13.941,1092 17.042,1093 3.684,1094 27.788,1095 13.504,1096 3.21,1097 13.722,1098 23.669,1099 5.289,1100 15.193,1101 18.63,1102 3.324,1103 30.47,1104 14.703,1105 3.028,1106 12.03,1107 25.676,1108 4.71,1109 16.478,1110 20.267,1111 4.1,1112 33.178,1113 15.94,1114 2.885,1115 10.942,1116 27.692,1117 3.989,1118 17.756,1119 21.888,1120 3.89,1121 35.883,1122 17.166,1123 2.514,1124 10.12,1125 29.715,1126 3.729,1127 19.048,1128 23.529,1129 4.548,1130 38.599,1131 18.408,1132 2.404,1133 8.82,1134 31.745,1135 3.608,1136 20.341,1137 25.166,1138 4.456,1139 41.316,1140 19.65,1141 24898,1142 39485,1143 35.142,1144 51.193,1145 83.801,1146 85.386,1147 87.152,1148 82.891,1149 82.794,1150 108.604,1151 12.18,1152 274.369,1153 79.924,1154 6.138,1155 6.043,1156 7.826,1157 5.871,1158 5.793,1159 8.289,1160 2.493,1161 24.424,1162 5.613,1163 21.159,1164 1.612,1165 1.642,1166 1.676,1167 1.594,1168 1.592,1169 2.089,1170 0.234,1171 5.276,1172 1.537,1173 4.368,1174 4.39,1175 4.353,1176 4.286,1177 7.431,1178 4.3,1179 4.019,1180 4.046,1181 3.986,1182 3.953,1183 7.426,1184 3.957,1185 3.943,1186 3.972,1187 3.885,1188 3.858,1189 6.452,1190 3.858,1191 3.831,1192 3.86,1193 3.769,1194 3.686,1195 5.087,1196 3.701,1197 3.731,1198 3.763,1199 3.666,1200 3.622,1201 4.811,1202 3.626,1203 3.511,1204 3.564,1205 3.432,1206 3.322,1207 4.73,1208 3.346,1209 3.413,1210 3.468,1211 3.311,1212 3.234,1213 4.685,1214 3.241,1215 3.321,1216 3.376,1217 3.228,1218 3.132,1219 4.462,1220 3.151,1221 0.099,1222 0.078,1223 0.154,1224 0.091,1225 0.073,1226 5.138,1227 0.102,1228 4.043,1229 0.026,1230 8.024,1231 0.299,1232 4.739,1233 0.069,1234 3.793,1235 5.289,1236 1.336,1237 15.536,1238 3.613,1239 2.034,1240 2.027,1241 2.077,1242 2.095,1243 1.377,1244 2.081,1245 1.958,1246 1.932,1247 2.057,1248 2.068,1249 1.342,1250 2.068,1251 1.907,1252 1.882,1253 2.019,1254 2.019,1255 1.166,1256 2.005,1257 1.888,1258 1.856,1259 1.951,1260 1.999,1261 1.14,1262 2.003,1263 1.78,1264 1.746,1265 1.934,1266 1.918,1267 1.072,1268 1.927,1269 1.41,1270 1.353,1271 1.667,1272 1.674,1273 0.827,1274 1.658,1275 1.367,1276 1.322,1277 1.583,1278 1.649,1279 0.735,1280 1.62,1281 1.314,1282 1.27,1283 1.572,1284 1.55,1285 0.618,1286 1.553,1287 4.654,1289 6.08,1290 3.434,1291 7.717,1292 6.043,1293 9.456,1294 8.367,1295 11.253,1297 5.532,1302 11.331,1303 0.465,1305 2.778,1306 13.514,1308 -2.558,1309 1.788,1310 -1.072,1314 49.508,1315 113.158,1316 278.685,1317 361.478,1318 405.583,1319 423.235,1320 431.235,1321 85.004,1322 11.203,1323 97.96,1324 97.96,1325 52,1326 13.968,1327 5.044,1328 4.17,1329 51.439,1330 177,1331 213,1332 0.153,1333 286.137,1334 488.41,1335 689.934,1336 1325540,1338 30.068,1339 0.683,1340 0.556,1341 30.068,1342 24.444,1343 21.346,1344 0.411,1345 0.286,1346 14.672,1347 20.565,1348 14.327,1349 11.69,1350 21.346,1351 14.887,1352 20.482,1353 0.247,1354 0.147,1355 20.482,1356 12.22,1357 19.562,1358 0.147,1359 0.076,1360 19.562,1361 10.086,1362 18.819,1363 0.088,1364 0.039,1365 18.819,1366 8.371,1367 17.062,1368 0.052,1369 0.02,1370 17.062,1371 6.5,1372 0.227,1373 133.695,1374 0.169,1375 36.54,1376 0.473,1377 270,1378 712.36,1379 295.578,1380 681.976,1381 969.17,1382 644,1383 351,1384 747.433,1385 379.853,1386 753.841,1387 1156.83,1388 715,1389 6.886}
{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 4,237 3,238 9,240 1,241 1,243 2,249 3,250 7,252 3,253 6,254 1,255 1,257 1,258 4,263 2,267 1,272 4,276 1728,277 21.472,278 21.472,279 21.472,280 21.472,281 21.472,282 18.824,283 34.859,284 12.488,285 22.246,286 16.571,287 16.571,288 16.571,289 16.571,290 16.571,291 12.402,292 58.25,293 5.596,294 17.552,295 3.921,296 1.86,297 1.261,298 0.909,299 0.818,300 0.659,301 4.181,305 1,306 1,307 744,308 3.937,312 337.437,319 1.672,320 46.691,323 0.75,324 0.83,325 0.67,326 0.5,328 0.67,329 0.5,330 0.56,331 73,332 360,333 4.457,334 3.805,335 6.524,336 4.036,337 3.083,338 4.164,339 2.612,340 10.266,341 2.973,342 4.415,343 3.537,344 6.492,345 4.002,346 3.048,347 4.099,348 0.98,349 10.114,350 2.887,351 4.285,352 3.375,353 6.344,354 3.865,355 2.887,356 3.91,357 0.86,358 9.518,359 2.798,360 3.835,361 2.921,362 5.543,363 3.397,364 2.472,365 3.294,366 0.86,367 7.516,368 2.283,369 3.517,370 2.696,371 5.19,372 3.043,373 2.078,374 2.843,375 0.86,376 6.118,377 2.007,378 3.374,379 2.555,380 5.118,381 2.972,382 2.061,383 2.614,384 0.4,385 6.069,386 1.896,387 3.355,388 2.418,389 4.963,390 2.945,391 1.98,392 2.604,393 0.4,394 5.595,395 1.867,396 3.179,397 2.073,398 4.617,399 2.67,400 1.705,401 2.416,403 4.478,404 1.637,405 2.873,406 1.878,407 3.787,408 2.364,409 1.381,410 2.015,412 3.112,413 1.355,414 2.696,415 1.592,416 3.736,417 2.101,418 1.17,419 1.758,421 2.738,422 1.089,423 2.532,424 1.342,425 3.673,426 2.016,427 1.116,428 1.475,430 2.373,431 1.01,432 2.199,433 1.283,434 3.466,435 1.96,436 1,437 1.184,439 2.304,440 0.932,441 1.576,442 1.019,443 2.952,444 1.27,445 0.396,446 0.452,448 0.603,449 0.342,450 1.507,451 1,452 2.935,453 1.201,454 0.354,455 0.38,457 0.521,458 0.297,459 1.424,460 0.916,461 2.859,462 1.084,463 0.146,464 0.186,466 0.349,467 0.137,468 14.4,469 0.45,470 0.801,471 0.025,472 46.75,473 1.461,474 25,475 0.781,476 21.75,477 0.68,478 22.687,479 0.709,480 35.4,481 0.681,482 41.336,483 1.292,484 9.847,485 0.308,486 5.524,487 0.173,488 0.201,490 0.375,496 0.767,497 1.371,498 0.693,499 1.134,500 0.644,501 0.923,502 0.994,503 0.948,504 0.735,505 0.826,506 0.536,507 0.735,508 0.882,509 1.31,510 0.839,511 1.143,512 0.778,513 1,514 0.765,515 1.196,516 0.923,517 1.185,518 0.782,519 1.127,520 1.339,521 1.019,522 1.193,523 0.909,524 1.036,525 0.985,526 0.795,527 1.135,528 1.006,529 1.087,530 0.685,531 1.108,532 0.815,533 1.072,534 0.737,535 0.929,536 0.957,537 0.818,538 1.068,539 0.757,540 0.994,541 0.744,542 1.112,543 0.798,544 7,545 0.293,546 3.556,547 2.938,548 2,549 1.41,550 0.772,551 0.705,552 0.385,553 0.332,554 12596,555 45694,556 1.976,557 38.5,559 15,561 1,562 4,567 1.749,568 1.811,569 3.455,570 1.694,572 1,577 92.526,578 1.779,579 3.841,580 4.44,581 4.791,582 4.883,583 5.042,584 2.854,585 4.078,586 4.974,587 3.651,588 1810.85,589 8.724,590 26520.7,592 1,594 1,595 296.423,596 1.531,597 4.907,598 0.206,599 0.009,600 0.076,601 0.055,602 0.038,603 0.03,604 0.017,605 0.015,606 0.009,607 0.011,608 0.466,609 0.17,610 0.88,611 1.054,612 167.329,613 -0.021,614 -0.127,615 0.034,616 -0.065,617 -0.089,618 -0.007,619 -0.023,620 0.139,621 0.141,622 0.204,623 0.163,624 0.209,625 -0.008,626 -0.152,627 -0.021,628 -0.125,629 -0.059,630 -0.085,631 0.177,632 -0.099,633 -0.037,634 -0.208,635 0.101,636 -0.209,637 -0.308,638 -0.025,639 -0.218,640 0.053,641 -0.204,642 -0.034,643 0.043,644 -0.098,645 -0.067,646 -0.111,647 0.03,648 -0.13,649 0.037,650 -0.132,651 0.303,652 0.02,653 0.025,654 0.209,655 0.044,656 0.237,657 0.038,658 0.127,659 0.252,660 0.105,661 2.64,662 4.681,663 0.563,664 31.25,665 1.034,666 1.138,667 1.246,668 1.552,669 0.656,670 3.555,671 3.871,672 4.143,673 4.394,674 4.575,675 4.644,676 4.736,677 4.82,678 4.868,679 5.037,680 6.994,681 0.656,682 440.46,683 3.555,684 5.094,685 5.943,686 6.823,687 7.689,688 8.574,689 9.444,690 10.33,691 11.202,692 12.089,693 11.5,700 1,701 2,703 2,704 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 6,797 1,798 6,810 1,816 3,843 3,847 3,851 32,852 1,860 2,861 3,874 11.5,877 1,879 3,880 2,881 17.667,882 10.267,883 7.333,884 2.563,886 3.487,887 1.462,888 0.947,889 7.426,890 11.04,891 3.85,892 4.46,893 5.012,894 5.57,895 6.067,896 6.313,897 6.628,898 6.977,899 7.323,900 7.791,901 1,902 53,903 11.749,905 4.935,906 8.161,907 21.181,909 16.182,911 2.661,912 85.167,915 1,916 188.338,917 134.672,918 108.16,920 108.892,923 134.672,924 297.229,925 108.16,926 38.319,927 32.897,928 56.857,929 75.192,930 105.255,931 4.227,932 176.567,933 50.747,934 188.338,935 242.832,936 108.892,939 188.338,940 58.145,941 50.747,943 79.865,944 123.725,945 39.241,947 188.338,948 217.051,949 134.672,952 188.338,953 36.118,954 104.224,955 36.022,956 175.36,957 188.338,958 217.051,959 134.672,961 0.574,962 0.35,963 0.196,964 0.101,965 20,966 11,967 0.167,968 9,970 1,971 4.082,972 287.828,974 18,975 150,981 23.214,982 10.236,983 5.252,985 211.381,986 10.616,987 8.199,991 1.611,993 68.919,994 540.061,995 46,997 -0.64,1000 34.61,1004 -0.694,1007 53.76,1008 59.153,1009 0.312,1010 0.674,1011 0.779,1012 0.84,1013 0.857,1014 0.884,1015 5.078,1016 1.705,1017 5.938,1018 5.595,1019 4.554,1020 5.147,1021 2.955,1022 6.763,1023 4.449,1024 6.302,1025 1.381,1026 7.512,1027 4.478,1028 4.205,1029 5.066,1030 2.361,1031 7.716,1032 4.073,1033 7.624,1034 1.17,1035 9.184,1036 3.112,1037 6.163,1038 7.37,1039 4.233,1040 10.793,1041 5.97,1042 8.982,1043 1.116,1044 10.914,1045 2.738,1046 6.608,1047 8.058,1048 4.506,1049 12.536,1050 6.381,1051 10.367,1052 1,1053 12.679,1054 2.373,1055 8.053,1056 9.868,1057 5.959,1058 15.131,1059 7.78,1060 11.772,1061 0.396,1062 14.467,1063 2.304,1064 8.858,1065 10.911,1066 6.556,1067 17.199,1068 8.546,1069 13.193,1070 0.354,1071 16.273,1072 0.603,1073 10.1,1074 12.515,1075 7.796,1076 19.62,1077 9.75,1078 3.083,1079 0.146,1080 18.091,1081 0.521,1082 11.071,1083 13.733,1084 8.548,1085 21.826,1086 10.68,1087 3.048,1088 10.266,1089 19.919,1090 0.349,1091 12.231,1092 15.241,1093 9.67,1094 24.181,1095 11.802,1096 2.887,1097 10.114,1098 21.755,1099 4.164,1100 13.278,1101 16.549,1102 10.509,1103 26.446,1104 12.807,1105 2.472,1106 9.518,1107 23.596,1108 4.099,1109 14.405,1110 18.009,1111 11.563,1112 28.774,1113 13.897,1114 2.078,1115 7.516,1116 25.442,1117 3.91,1118 15.486,1119 19.365,1120 12.452,1121 31.065,1122 14.935,1123 2.061,1124 6.118,1125 27.292,1126 3.294,1127 16.602,1128 20.801,1129 13.468,1130 33.384,1131 16.012,1132 1.98,1133 6.069,1134 29.145,1135 2.843,1136 17.699,1137 22.181,1138 14.386,1139 35.686,1140 17.067,1141 12588,1142 24162,1143 21.789,1144 34.091,1145 49.855,1146 52.579,1147 53.456,1148 49.625,1149 49.808,1150 66.856,1151 13.944,1152 143.477,1153 47.071,1154 5.265,1155 5.805,1156 6.206,1157 5.11,1158 5.083,1159 7.164,1160 4.612,1161 17.186,1162 4.973,1163 20.135,1164 1.466,1165 1.546,1166 1.572,1167 1.46,1168 1.465,1169 1.966,1170 0.41,1171 4.22,1172 1.384,1173 4.026,1174 4.063,1175 4,1176 3.889,1177 7.815,1178 3.904,1179 3.919,1180 3.936,1181 3.882,1182 3.824,1183 7.437,1184 3.835,1185 3.86,1186 3.884,1187 3.828,1188 3.66,1189 6.999,1190 3.7,1191 3.462,1192 3.503,1193 3.447,1194 3.081,1195 5.033,1196 3.13,1197 3.338,1198 3.391,1199 3.259,1200 3.061,1201 4.928,1202 3.116,1203 3.303,1204 3.355,1205 3.144,1206 3.006,1207 4.894,1208 3.026,1209 3.249,1210 3.311,1211 3.118,1212 2.906,1213 4.679,1214 2.956,1215 3.191,1216 3.269,1217 2.976,1218 2.868,1219 4.58,1220 2.889,1221 0.131,1222 0.112,1223 0.192,1224 0.119,1225 0.091,1226 4.457,1227 0.122,1228 3.805,1229 0.077,1230 6.524,1231 0.302,1232 4.036,1233 0.087,1234 3.083,1235 4.164,1236 2.612,1237 10.266,1238 2.973,1239 1.925,1240 1.898,1241 2.014,1242 2.103,1243 1.099,1244 2.056,1245 1.875,1246 1.86,1247 1.949,1248 2,1249 1.067,1250 1.987,1251 1.746,1252 1.711,1253 1.799,1254 1.962,1255 0.805,1256 1.919,1257 1.236,1258 1.179,1259 1.59,1260 1.647,1261 0.584,1262 1.565,1263 1.227,1264 1.171,1265 1.573,1266 1.558,1267 0.575,1268 1.563,1269 1.214,1270 1.163,1271 1.544,1272 1.536,1273 0.563,1274 1.522,1275 1.164,1276 1.079,1277 1.404,1278 1.512,1279 0.261,1280 1.501,1281 1.076,1282 1.017,1283 1.194,1284 1.449,1285 0.229,1286 1.434,1287 4.234,1289 5.549,1291 7.067,1293 8.681,1295 10.343,1297 4.429,1301 5.385,1305 5.733,1306 15.919,1314 34.105,1315 92.526,1316 199.713,1317 230.874,1318 249.139,1319 253.894,1320 262.158,1321 78.169,1322 7.553,1323 166.44,1324 166.44,1325 18,1326 12.623,1327 4.459,1328 3.7,1329 60.943,1330 136,1331 122,1332 0.22,1333 212.979,1334 374.48,1335 511.429,1336 19192,1338 23.25,1339 0.727,1340 0.544,1341 23.25,1342 17.41,1343 15.371,1344 0.452,1345 0.268,1346 8.861,1347 14.312,1348 8.626,1349 7.241,1350 15.371,1351 9.118,1352 13.517,1353 0.288,1354 0.133,1355 13.517,1356 6.258,1357 11.106,1358 0.179,1359 0.07,1360 11.106,1361 4.333,1362 9.499,1363 0.119,1364 0.036,1365 9.499,1366 2.878,1367 7.311,1368 0.076,1369 0.019,1370 7.311,1371 1.848,1372 0.344,1373 100.015,1374 0.214,1375 29.626,1376 0.611,1377 162,1378 645.327,1379 188.157,1380 602.356,1381 799.35,1382 558,1383 190,1384 579.271,1385 216.412,1386 578.943,1387 835.91,1388 536,1389 7.5}
{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 3,238 5,241 1,243 3,246 2,248 2,250 2,253 1,255 1,258 4,260 1,267 2,268 1,271 1,272 2,276 675,277 15.378,278 15.378,279 15.378,280 15.378,281 15.378,282 13.109,283 11.643,284 8.753,285 15.732,286 12.838,287 12.838,288 12.838,289 12.838,290 12.838,291 9.309,292 8.663,293 4.155,294 13.432,295 3.68,296 1.282,297 0.705,298 0.5,299 0.5,300 0.5,301 3.883,304 1,305 1,306 1,307 405,308 2.739,311 79.825,312 106.169,315 156.45,319 1.18,320 21.386,321 1,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 50,332 185,333 4.771,334 3.382,335 7.042,336 4.309,337 3.347,338 4.748,340 12.1,341 3.22,342 4.463,343 3.022,344 6.332,345 3.962,346 2.989,347 4.406,349 9.716,350 2.907,351 3.836,352 2.672,353 6.055,354 3.501,355 2.546,356 3.272,358 8.473,359 2.426,360 3.744,361 2.507,362 5.668,363 3.321,364 2.369,365 3.18,367 7.328,368 2.252,369 3.449,370 2.19,371 4.963,372 3.001,373 2.053,374 2.816,376 5.799,377 1.939,378 3.037,379 1.815,380 4.818,381 2.681,382 1.741,383 2.303,385 4.817,386 1.633,387 3.02,388 1.535,389 4.427,390 2.519,391 1.535,392 2.158,394 4.303,395 1.51,396 2.891,397 1.421,398 4.369,399 2.346,400 1.412,401 2.066,403 3.836,404 1.315,405 2.468,406 1.019,407 3.854,408 1.967,409 1.015,410 1.454,412 2.718,413 0.964,414 2.109,415 0.819,416 3.482,417 1.728,418 0.777,419 1.003,421 1.991,422 0.737,423 1.944,424 0.536,425 3.159,426 1.432,427 0.468,428 0.683,430 1.177,431 0.449,432 1.061,433 -0.116,434 2.632,435 0.628,436 -0.288,437 -0.366,439 -0.674,440 -0.263,441 0.955,442 -0.167,443 2.421,444 0.521,445 -0.413,446 -0.534,448 -1.055,449 -0.38,450 0.697,451 -0.7,452 2.353,453 0.216,454 -0.728,455 -0.999,457 -2,458 -0.685,459 0.591,460 -0.825,461 2.252,462 0.087,463 -0.876,464 -1,466 -2.119,467 -0.837,468 10.733,469 0.467,470 0.716,471 0.031,472 32.75,473 1.424,474 17,475 0.739,476 15.75,477 0.685,478 16.793,479 0.73,480 24.067,481 0.617,482 22.778,483 0.99,484 6.282,485 0.273,486 4.76,487 0.207,488 0.161,490 0.457,496 1.009,497 1.225,498 0.768,499 0.935,500 1.097,501 0.83,502 0.707,503 1.175,504 0.646,505 0.946,506 0.518,507 0.808,508 1.125,509 1.194,510 0.951,511 0.996,512 0.924,513 0.947,514 0.89,515 0.927,516 0.911,517 0.904,518 0.813,519 0.903,520 0.975,521 0.991,522 1.113,523 1.034,524 0.84,525 1.079,526 1.131,527 1.349,528 1.193,529 1.211,530 1.004,531 1.199,532 1.029,533 0.872,534 1.191,535 0.955,536 0.928,537 1.057,538 0.691,539 0.823,540 0.841,541 0.918,542 0.8,543 0.906,544 5,545 0.012,546 2.889,547 2.333,548 1.932,549 0.674,550 0.671,551 0.317,552 0.24,553 0.119,554 5166,555 14062,556 2.115,557 41,559 5,561 1,562 4,564 6,567 1.663,568 1.944,569 3.012,570 1.865,571 1,572 1,574 1,577 62.621,578 1.606,579 4.003,580 4.58,581 4.785,582 4.785,583 4.785,584 2.442,585 4.263,586 4.496,587 3.132,588 792.445,589 7.772,590 8611.62,591 1,592 1,593 1,594 1,595 206.131,596 1.491,597 4.44,598 0.192,599 0.004,600 0.074,601 0.06,602 0.052,603 0.022,604 0.023,605 0.014,606 0.014,607 0.012,608 0.468,609 0.33,610 1,611 0.832,612 104.624,613 -0.111,614 -0.032,615 0.025,616 0.064,617 -0.225,618 0.065,619 0.103,620 -0.053,621 0.205,622 0.049,623 0.142,624 0.127,625 -0.131,626 -0.114,627 -0.044,628 -0.045,629 -0.067,630 -0.033,631 0.063,632 0.101,633 0.052,634 0.033,635 0.026,636 0.036,637 -0.032,638 0.056,639 -0.18,640 -0.087,641 -0.034,642 -0.147,643 -0.247,644 -0.282,645 -0.286,646 -0.269,647 -0.174,648 -0.279,649 -0.146,650 0.08,651 -0.184,652 -0.011,653 -0.093,654 -0.078,655 0.143,656 -0.007,657 0.231,658 0.096,659 0.112,660 0.171,661 1.441,662 3.629,663 0.783,664 16.246,665 1.009,666 1.135,667 2.827,668 7.994,669 0.674,670 3.296,671 3.689,672 4.025,673 4.382,674 4.644,675 4.804,676 4.942,677 5.124,678 5.136,679 5.187,680 4.958,681 0.653,682 308.38,683 3.296,684 4.875,685 5.765,686 6.688,687 7.602,688 8.531,689 9.454,690 10.385,691 11.312,692 12.245,693 15.4,697 1,701 2,703 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 6,797 0.5,798 1,807 1,810 1,811 1,815 2,816 2,819 2,843 2,847 2,851 23,852 1,857 1,863 1,874 2.6,876 1,881 11.833,882 7.583,883 4.861,884 2.289,886 4.053,887 1.54,888 1.016,889 3.112,890 11.553,891 3.611,892 4.35,893 5.075,894 5.798,895 6.388,896 6.861,897 7.364,898 7.905,899 8.215,900 8.637,901 1,902 39,903 8.444,905 3.687,906 7.768,907 15.992,909 13.421,911 2.268,912 52.167,916 141.253,917 81.021,918 101.693,920 42.683,923 81.021,924 183.937,925 101.693,926 17.65,928 70.802,929 106.404,930 35.083,931 7.229,932 129.482,934 141.253,935 182.714,936 42.683,939 70.627,940 113.31,943 49.303,944 83.177,945 50.234,947 141.253,948 144.377,949 81.021,952 141.253,953 16.847,954 65.951,955 16.786,956 125.815,957 141.253,958 144.377,959 81.021,961 0.6,962 0.356,963 0.204,964 0.118,965 22,966 10,967 0.048,968 2,969 2,970 1.222,971 3.409,972 201.251,973 0.222,974 18,975 102.042,981 14.182,982 5.047,983 2.186,984 3.268,985 125.815,986 8.566,987 13.105,988 3.313,991 2.154,992 1.839,993 92.366,994 366.651,995 36,1007 39.356,1008 44.275,1009 0.304,1010 0.757,1011 0.867,1012 0.905,1013 0.905,1014 0.905,1015 4.868,1016 1.412,1017 5.79,1018 4.303,1019 4.369,1020 5.037,1022 6.681,1023 4.284,1024 6.134,1025 1.015,1026 7.398,1027 3.836,1028 4.111,1029 5.047,1031 7.716,1032 3.989,1033 7.486,1034 0.777,1035 9.105,1036 2.718,1037 6.038,1038 7.423,1040 10.871,1041 5.878,1042 8.878,1043 0.468,1044 10.869,1045 1.991,1046 6.581,1047 8.274,1049 12.752,1050 6.386,1051 10.302,1052 -0.288,1053 12.669,1054 1.177,1055 8.023,1056 10.135,1058 15.44,1059 7.795,1060 11.752,1061 -0.413,1062 14.496,1063 -0.674,1064 8.923,1065 11.371,1067 17.672,1068 8.66,1069 13.221,1070 -0.728,1071 16.344,1072 -1.055,1073 10.19,1074 13.031,1076 20.211,1077 9.893,1078 3.347,1079 -0.876,1080 18.206,1081 -2,1082 11.251,1083 14.44,1085 22.59,1086 10.917,1087 2.989,1088 12.1,1089 20.081,1090 -2.119,1091 12.456,1092 16.023,1094 25.084,1095 12.089,1096 2.546,1097 9.716,1098 21.967,1099 4.748,1100 13.588,1101 17.507,1103 27.524,1104 13.182,1105 2.369,1106 8.473,1107 23.861,1108 4.406,1109 14.777,1110 19.061,1112 30.009,1113 14.335,1114 2.053,1115 7.328,1116 25.762,1117 3.272,1118 15.94,1119 20.577,1121 32.475,1122 15.461,1123 1.741,1124 5.799,1125 27.67,1126 3.18,1127 17.127,1128 22.121,1130 34.96,1131 16.61,1132 1.535,1133 4.817,1134 29.583,1135 2.816,1136 18.306,1137 23.652,1139 37.439,1140 17.751,1141 4956,1142 8299,1143 17.224,1144 26.296,1145 40.999,1146 40.431,1147 42.338,1148 40.548,1149 40.5,1150 56.182,1152 124.515,1153 38.702,1154 5.46,1155 5.382,1156 6.57,1157 5.382,1158 5.347,1159 7.748,1161 19.606,1162 5.22,1163 11.774,1164 1.577,1165 1.555,1166 1.628,1167 1.56,1168 1.558,1169 2.161,1171 4.789,1172 1.489,1173 4.187,1174 4.228,1175 4.164,1176 4.072,1177 6.471,1178 4.088,1179 4.008,1180 4.051,1181 3.978,1182 3.866,1183 5.26,1184 3.891,1185 3.578,1186 3.655,1187 3.445,1188 3.413,1189 4.947,1190 3.404,1191 3.437,1192 3.48,1193 3.372,1194 3.277,1195 4.811,1196 3.295,1197 3.135,1198 3.228,1199 3.032,1200 2.876,1201 4.494,1202 2.909,1203 2.985,1204 3.09,1205 2.868,1206 2.816,1207 4.14,1208 2.815,1209 2.954,1210 3.013,1211 2.829,1212 2.676,1213 3.985,1214 2.714,1215 2.874,1216 3.009,1217 2.499,1218 2.618,1219 3.737,1220 2.57,1221 0.183,1222 0.13,1223 0.271,1224 0.166,1225 0.129,1226 4.771,1227 0.183,1228 3.382,1230 7.042,1231 0.465,1232 4.309,1233 0.124,1234 3.347,1235 4.748,1237 12.1,1238 3.22,1239 1.919,1240 1.9,1241 2.002,1242 2.028,1243 1.148,1244 2.009,1245 1.846,1246 1.808,1247 1.95,1248 2.01,1249 1.126,1250 1.998,1251 1.68,1252 1.615,1253 1.839,1254 1.885,1255 0.961,1256 1.876,1257 1.458,1258 1.397,1259 1.595,1260 1.669,1261 0.625,1262 1.659,1263 1.021,1264 0.979,1265 1.417,1266 1.35,1267 0.469,1268 1.322,1269 1.003,1270 0.929,1271 1.218,1272 1.24,1273 0.246,1274 1.308,1275 0.934,1276 0.804,1277 1.184,1278 1.239,1279 0.15,1280 1.221,1281 0.828,1282 0.75,1283 1.087,1284 1.146,1285 0.04,1286 1.131,1287 3.97,1289 5.342,1290 3.045,1291 6.903,1292 5.476,1293 8.554,1294 7.662,1295 10.254,1297 4.079,1301 6.068,1302 9.629,1308 0.147,1314 25.477,1315 62.621,1316 156.115,1317 178.621,1318 186.621,1319 186.621,1320 186.621,1321 31.186,1322 7.5,1323 105.64,1324 105.64,1325 22,1326 12.746,1327 4.392,1328 3.459,1329 31.647,1330 67,1331 72,1332 0.236,1333 156.017,1334 245.99,1335 372.442,1336 16600,1338 16.137,1339 0.702,1340 0.556,1341 16.137,1342 12.778,1343 11.042,1344 0.425,1345 0.283,1346 7.241,1347 10.585,1348 7.031,1349 5.859,1350 11.042,1351 7.351,1352 10.627,1353 0.272,1354 0.149,1355 10.627,1356 5.799,1357 9.012,1358 0.164,1359 0.07,1360 9.012,1361 3.867,1362 8.025,1363 0.102,1364 0.035,1365 8.025,1366 2.792,1367 6.688,1368 0.065,1369 0.018,1370 6.688,1371 1.9,1372 0.354,1373 69.379,1374 0.241,1375 21.866,1376 0.703,1377 130,1378 360.375,1379 143.594,1380 357.391,1381 505.68,1382 334,1383 159,1384 399.577,1385 173.65,1386 404.341,1387 597.49,1388 381,1389 5.585}
{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 3,238 2,243 3,246 8,250 1,253 2,254 1,255 1,257 1,258 12,264 1,269 1,272 12,276 1232,277 19.756,278 19.756,279 19.756,280 19.756,281 19.756,282 16.962,283 23.019,284 11.495,285 20.177,286 16.342,287 16.342,288 16.342,289 16.342,290 16.342,291 12.047,292 29.077,293 5.51,294 17.047,295 3.967,296 1.735,297 0.925,298 0.432,299 0.307,300 0.266,301 4.121,305 1,306 1,307 766,308 3.162,311 44.233,312 251.983,315 166.043,316 86.364,319 1.922,320 21.968,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 61.5,332 341,333 4.774,334 3.565,335 7.107,336 4.333,337 3.368,338 4.724,339 1.656,340 12.368,341 3.261,342 4.239,343 3.431,344 6.267,345 3.814,346 2.844,347 3.912,348 0.247,349 9.348,350 2.752,351 4.072,352 2.917,353 5.663,354 3.681,355 2.704,356 3.661,358 7.811,359 2.641,360 3.798,361 2.737,362 5.577,363 3.426,364 2.457,365 3.199,367 7.387,368 2.374,369 3.609,370 2.507,371 5.34,372 3.185,373 2.238,374 2.95,376 6.762,377 2.119,378 3.432,379 2.252,380 5.104,381 2.991,382 2.047,383 2.754,385 5.911,386 1.919,387 3.256,388 2.133,389 4.88,390 2.808,391 1.865,392 2.533,394 5.552,395 1.749,396 3.116,397 1.971,398 4.716,399 2.707,400 1.734,401 2.301,403 4.854,404 1.692,405 3.013,406 1.906,407 4.483,408 2.664,409 1.68,410 2.165,412 4.549,413 1.611,414 2.816,415 1.374,416 4.156,417 2.286,418 1.344,419 1.96,421 3.411,422 1.261,423 2.658,424 1.24,425 3.576,426 2.179,427 1.181,428 1.729,430 2.588,431 1.178,432 2.301,433 0.958,434 3.479,435 1.853,436 0.893,437 1.225,439 2.221,440 0.852,441 1.861,442 0.643,443 3.25,444 1.476,445 0.575,446 0.719,448 1.468,449 0.507,450 1.311,451 0.616,452 2.992,453 1.017,454 0.07,455 0.083,457 0.197,458 0.066,459 1.182,460 0.273,461 2.583,462 0.772,463 -0.216,464 -0.276,466 -0.529,467 -0.207,468 14.167,469 0.489,470 0.763,471 0.026,472 42,473 1.448,474 23,475 0.793,476 19,477 0.655,478 22.772,479 0.785,480 29.033,481 0.605,482 29.481,483 1.017,484 7.941,485 0.274,486 6.14,487 0.212,488 0.087,490 0.388,496 0.875,497 1.029,498 0.721,499 0.776,500 0.729,501 0.758,502 0.407,503 0.87,504 0.728,505 0.849,506 0.441,507 0.833,508 1.017,509 1.085,510 1.069,511 1.051,512 0.938,513 1.024,514 0.759,515 1.229,516 1.04,517 1.228,518 0.719,519 1.092,520 1.551,521 1.119,522 1.181,523 1.07,524 1.498,525 1.061,526 1.394,527 1.089,528 1.014,529 0.98,530 1.351,531 0.995,532 1.804,533 0.866,534 0.982,535 0.79,536 2.032,537 0.97,538 0.757,539 0.711,540 0.791,541 0.838,542 0.975,543 0.879,544 6,545 0.136,546 2.667,547 2.694,548 1.933,549 0.91,550 0.508,551 0.364,552 0.246,553 0.222,554 11869,555 31373,556 2.171,557 39.6,558 5,559 7,561 1,562 4,563 2,567 1.716,568 2.047,569 3.502,570 1.629,572 1,577 77.65,578 1.618,579 3.849,580 4.66,581 5.153,582 5.278,583 5.319,584 2.962,585 4.625,586 4.829,587 3.693,588 1499.32,589 8.389,590 20251.6,592 1,594 1,595 268.078,596 1.361,597 4.797,598 0.182,599 0.006,600 0.056,601 0.055,602 0.042,603 0.023,604 0.015,605 0.014,606 0.01,607 0.009,608 0.412,609 0.17,610 0.88,611 0.506,612 147.745,613 -0.121,614 0.051,615 0.042,616 0.11,617 -0.109,618 0.089,619 0.35,620 0.164,621 0.146,622 0.105,623 0.183,624 0.078,625 -0.143,626 -0.071,627 -0.097,628 -0.05,629 -0.118,630 -0.084,631 0.088,632 -0.255,633 0.016,634 -0.183,635 0.113,636 -0.098,637 -0.252,638 -0.11,639 -0.175,640 -0.105,641 -0.149,642 -0.119,643 -0.173,644 -0.1,645 -0.074,646 -0.062,647 -0.074,648 -0.039,649 -0.354,650 0.101,651 -0.125,652 0.067,653 -0.379,654 -0.026,655 0.179,656 0.178,657 0.151,658 0.136,659 0.045,660 0.167,661 1.925,662 5.384,663 0.793,664 28.775,665 1.002,666 1.115,667 3.667,668 13.446,669 0.718,670 3.526,671 3.892,672 4.205,673 4.564,674 4.836,675 4.97,676 5.142,677 5.375,678 5.468,679 5.568,680 6.975,681 0.681,682 401.53,683 3.526,684 5.094,685 5.969,686 6.878,687 7.773,688 8.69,689 9.595,690 10.518,691 11.43,692 12.356,693 10.4,697 1,700 2,703 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 5,797 0.4,798 1,810 1,815 1,816 4,819 2,820 1,843 2,845 1,847 1,851 29,852 1,858 2,860 2,869 1,874 2.1,877 1,881 14.167,882 8.983,883 6.167,884 2.817,886 4.253,887 1.506,888 1.067,889 4.533,890 12.655,891 3.829,892 4.503,893 5.138,894 5.822,895 6.399,896 6.762,897 7.214,898 7.735,899 8.054,900 8.429,901 0.875,902 49,903 10.695,905 4.665,906 7.678,907 20.554,909 17.456,911 2.178,912 63.167,915 1,916 176.567,917 149.232,918 102.49,920 25.145,922 31.278,923 117.954,924 201.711,925 102.49,926 8.825,927 41.091,928 99.231,929 70.804,930 29.447,931 7.962,932 196.073,934 176.567,935 220.444,936 25.145,937 31.278,939 176.567,940 25.145,943 58.851,944 128.022,945 33.571,946 31.278,947 176.567,948 127.635,949 149.232,952 176.567,953 65.455,954 83.778,955 36.022,956 91.613,957 176.567,958 127.635,959 149.232,961 0.59,962 0.344,963 0.201,964 0.112,965 26,966 11,967 0.038,968 2,969 3,970 1.261,971 4.104,972 269.219,973 0.261,974 23,975 138.881,977 1,981 18.226,982 7.213,983 3.39,984 1.862,985 127.635,986 15.242,987 8.557,990 1.684,991 7.903,993 68.919,994 453.433,995 45,1000 12.384,1004 -0.259,1007 48.098,1008 53.527,1009 0.29,1010 0.689,1011 0.834,1012 0.923,1013 0.945,1014 0.952,1015 5.078,1016 1.734,1017 5.969,1018 5.552,1019 4.575,1020 5.19,1021 1.758,1022 6.821,1023 4.496,1024 6.314,1025 1.68,1026 7.545,1027 4.854,1028 4.205,1029 5.085,1030 1.195,1031 7.779,1032 4.102,1033 7.643,1034 1.344,1035 9.22,1036 4.549,1037 6.201,1038 7.47,1039 2.415,1040 10.94,1041 6.057,1042 9.007,1043 1.181,1044 10.955,1045 3.411,1046 6.635,1047 8.188,1048 2.324,1049 12.794,1050 6.465,1051 10.403,1052 0.893,1053 12.732,1054 2.588,1055 8.122,1056 10.064,1057 3.244,1058 15.497,1059 7.921,1060 11.823,1061 0.575,1062 14.54,1063 2.221,1064 8.953,1065 11.2,1066 3.407,1067 17.747,1068 8.722,1069 13.265,1070 0.07,1071 16.373,1072 1.468,1073 10.24,1074 12.867,1075 4.156,1076 20.309,1077 9.981,1078 3.368,1079 -0.216,1080 18.227,1081 0.197,1082 11.266,1083 14.214,1084 4.464,1085 22.72,1086 10.975,1087 2.844,1088 12.368,1089 20.098,1090 -0.529,1091 12.481,1092 15.797,1093 5.111,1094 25.241,1095 12.161,1096 2.704,1097 9.348,1098 21.984,1099 4.724,1100 13.599,1101 17.247,1102 5.504,1103 27.715,1104 13.246,1105 2.457,1106 7.811,1107 23.882,1108 3.912,1109 14.794,1110 18.799,1111 6.091,1112 30.227,1113 14.411,1114 2.238,1115 7.387,1116 25.79,1117 3.661,1118 15.956,1119 20.299,1120 6.531,1121 32.724,1122 15.54,1123 2.047,1124 6.762,1125 27.707,1126 3.199,1127 17.149,1128 21.843,1129 7.083,1130 35.235,1131 16.702,1132 1.865,1133 5.911,1134 29.631,1135 2.95,1136 18.333,1137 23.367,1138 7.551,1139 37.742,1140 17.852,1141 10917,1142 17910,1143 22.482,1144 34.461,1145 50.432,1146 51.192,1147 51.727,1148 49.943,1149 50.003,1150 67.828,1151 3.806,1152 148.856,1153 47.962,1154 5.66,1155 5.565,1156 6.664,1157 5.461,1158 5.368,1159 7.724,1160 2.912,1161 19.834,1162 5.261,1163 12.266,1164 1.528,1165 1.551,1166 1.567,1167 1.513,1168 1.515,1169 2.055,1170 0.115,1171 4.511,1172 1.453,1173 4.141,1174 4.157,1175 4.355,1176 4.135,1177 7.431,1178 4.099,1179 3.932,1180 3.966,1181 3.89,1182 3.859,1183 5.22,1184 3.855,1185 3.837,1186 3.871,1187 3.823,1188 3.769,1189 4.8,1190 3.757,1191 3.515,1192 3.572,1193 3.488,1194 3.337,1195 4.753,1196 3.343,1197 3.358,1198 3.409,1199 3.39,1200 3.142,1201 4.683,1202 3.168,1203 3.146,1204 3.225,1205 3.118,1206 3.003,1207 4.266,1208 2.978,1209 3.119,1210 3.179,1211 2.968,1212 2.983,1213 4.01,1214 2.968,1215 2.999,1216 3.102,1217 2.921,1218 2.811,1219 3.857,1220 2.792,1221 0.145,1222 0.108,1223 0.215,1224 0.131,1225 0.102,1226 4.774,1227 0.143,1228 3.565,1229 0.05,1230 7.107,1231 0.375,1232 4.333,1233 0.099,1234 3.368,1235 4.724,1236 1.656,1237 12.368,1238 3.261,1239 2.006,1240 1.986,1241 2.09,1242 2.08,1243 1.355,1244 2.084,1245 1.913,1246 1.883,1247 2.035,1248 2.008,1249 1.131,1250 2.018,1251 1.759,1252 1.729,1253 1.787,1254 1.914,1255 0.937,1256 1.896,1257 1.541,1258 1.511,1259 1.694,1260 1.702,1261 0.866,1262 1.705,1263 1.281,1264 1.225,1265 1.556,1266 1.524,1267 0.614,1268 1.53,1269 1.147,1270 1.08,1271 1.361,1272 1.379,1273 0.486,1274 1.405,1275 1.101,1276 1.064,1277 1.226,1278 1.284,1279 0.315,1280 1.289,1281 0.893,1282 0.839,1283 1.161,1284 1.172,1285 0.188,1286 1.186,1287 4.205,1289 5.557,1290 2.398,1291 7.106,1292 4.844,1293 8.752,1294 7.081,1295 10.452,1297 1.993,1301 6.152,1303 1.846,1305 5.803,1314 32.697,1315 77.65,1316 184.775,1317 223.672,1318 247.323,1319 253.323,1320 255.323,1321 39.126,1322 8.402,1323 92.93,1324 121.17,1325 29,1326 12.863,1327 4.585,1328 3.7,1329 39.843,1330 124,1331 115,1332 0.16,1333 201.732,1334 337.02,1335 483.987,1336 57174,1338 19.957,1339 0.688,1340 0.574,1341 20.311,1342 16.638,1343 14.081,1344 0.427,1345 0.309,1346 9.364,1347 13.268,1348 9.048,1349 7.487,1350 14.489,1351 10.198,1352 13.213,1353 0.275,1354 0.172,1355 13.856,1356 8.243,1357 11.099,1358 0.168,1359 0.095,1360 11.878,1361 6.278,1362 10.199,1363 0.107,1364 0.053,1365 11.161,1366 5.009,1367 8.419,1368 0.067,1369 0.03,1370 9.379,1371 3.695,1372 0.254,1373 91.156,1374 0.211,1375 27.622,1376 0.432,1377 162,1378 427.864,1379 199.247,1380 448.021,1381 627.58,1382 420,1383 195,1384 461.661,1385 228.205,1386 489.063,1387 720.33,1388 461,1389 5.1}
{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 1,237 5,238 6,241 1,243 3,249 2,250 6,255 1,258 2,263 2,264 9,267 1,269 1,272 5,276 4089,277 28.093,278 28.093,279 28.093,280 28.093,281 28.093,282 26.004,283 40.814,284 16.851,285 29.056,286 22.201,287 22.201,288 22.201,289 22.201,290 22.201,291 18.876,292 55.107,293 7.968,294 23.635,295 4.862,296 3.028,297 1.661,298 1.106,299 0.943,300 0.943,301 4.448,306 1,307 1652,308 4.243,312 695.423,316 211.342,319 3.243,320 34.55,323 0.75,324 0.5,325 0.67,326 0.9,327 1,328 0.83,329 1,330 0.81,331 89,332 765,333 4.597,334 3.691,335 6.725,336 4.143,337 3.185,338 4.523,339 1.701,340 10.984,341 3.055,342 4.109,343 3.34,344 6.149,345 3.813,346 2.87,347 3.657,348 0.86,349 9.064,350 2.704,351 4.049,352 3.106,353 6.048,354 3.678,355 2.742,356 3.525,357 0.86,358 8.686,359 2.559,360 3.9,361 3.011,362 5.661,363 3.565,364 2.625,365 3.129,366 0.86,367 7.513,368 2.462,369 3.607,370 2.831,371 5.519,372 3.449,373 2.521,374 2.934,375 0.8,376 7.362,377 2.34,378 3.521,379 2.595,380 5.34,381 3.274,382 2.342,383 2.714,384 0.8,385 6.965,386 2.172,387 3.477,388 2.499,389 5.196,390 3.164,391 2.227,392 2.522,393 0.563,394 6.538,395 2.072,396 3.141,397 2.307,398 4.801,399 2.813,400 1.861,401 2.334,402 0.075,403 5.225,404 1.765,405 2.983,406 2.195,407 4.415,408 2.75,409 1.812,410 2.051,412 4.53,413 1.695,414 2.903,415 2.029,416 4.351,417 2.604,418 1.629,419 1.997,421 4.046,422 1.585,423 2.731,424 1.7,425 4.024,426 2.446,427 1.497,428 1.753,430 3.39,431 1.41,432 2.589,433 1.559,434 3.882,435 2.307,436 1.387,437 1.584,439 3.134,440 1.271,441 2.5,442 1.464,443 3.7,444 2.196,445 1.237,446 1.5,448 3.119,449 1.174,450 2.401,451 1.376,452 3.447,453 2.002,454 1.073,455 1.366,457 2.578,458 1,459 2.252,460 1.146,461 3.414,462 2,463 1,464 1.214,466 2.275,467 0.988,468 19.233,469 0.469,470 0.848,471 0.021,472 48,473 1.171,474 20,475 0.488,476 28,477 0.683,478 42.849,479 1.045,480 46.767,481 0.563,482 39.363,483 0.96,484 9.074,485 0.221,486 10.921,487 0.266,488 0.095,490 0.296,496 0.859,497 1.654,498 0.862,499 1.349,500 0.646,501 1.137,502 1.143,503 1.073,504 0.965,505 0.977,506 0.664,507 0.94,508 1.237,509 1.063,510 1.021,511 0.975,512 0.934,513 0.963,514 1.054,515 1.046,516 1.003,517 1.02,518 1.244,519 1.003,520 0.931,521 0.993,522 1.003,523 1.042,524 1.335,525 1.041,526 0.939,527 1.151,528 0.99,529 1.117,530 0.935,531 1.075,532 1.054,533 0.941,534 0.995,535 0.917,536 0.839,537 0.94,538 1.264,539 1.094,540 1.064,541 1.036,542 1.092,543 1.018,544 7.5,545 0.264,546 4,547 2.125,548 2.293,549 1.25,550 0.926,551 0.63,552 0.448,553 0.345,554 33017,555 72394,556 2.105,557 50.6,558 2,559 26,561 1,562 1,564 10,565 2,567 1.801,568 2,569 4.128,570 -0.376,577 125.561,578 1.513,579 3.347,580 4.714,581 5.269,582 5.432,583 5.432,584 3.647,585 4.87,586 5.318,587 4.34,588 3558.6,589 9.376,590 67410.3,595 529.128,596 1.282,597 5.302,598 0.167,599 0.006,600 0.066,601 0.033,602 0.038,603 0.022,604 0.017,605 0.013,606 0.009,607 0.007,608 0.377,609 0.33,610 0.63,611 0.801,612 239.147,613 -0.005,614 -0.347,615 0.084,616 -0.165,617 0.016,618 -0.047,620 0.083,621 0.041,622 0.044,623 0.121,624 0.049,625 -0.077,626 -0.008,627 -0.013,628 0.026,629 -0.003,630 0.019,631 -0.031,632 -0.02,633 -0.011,634 -0.023,635 -0.028,636 -0.015,637 0.082,638 0.019,639 -0.017,640 -0.03,641 -0.033,642 -0.042,643 0.006,644 -0.165,645 -0.012,646 -0.109,647 -0.047,648 -0.072,649 0.064,650 0.046,651 0.017,652 0.029,653 0.065,654 0.017,655 -0.094,656 -0.057,657 -0.052,658 -0.058,659 -0.065,660 -0.048,661 1.779,662 5.911,663 0.683,664 71.748,665 0.998,666 1.136,667 2.92,668 8.526,669 0.633,670 3.829,671 4.127,672 4.382,673 4.635,674 4.89,675 4.956,676 5.13,677 5.252,678 5.375,679 5.464,680 10.427,681 0.596,682 562.79,683 3.829,684 5.361,685 6.201,686 7.066,687 7.923,688 8.794,689 9.661,690 10.537,691 11.41,692 12.29,693 7.2,696 1,699 1,700 2,703 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 6,797 0.8,798 4,810 1,816 5,820 1,839 1,843 4,847 3,851 41,858 12,860 1,861 3,863 1,864 3,874 4.8,877 1,879 3,881 20.5,882 15.583,883 9.139,884 5.374,886 3.332,887 1.377,888 0.964,889 10.415,890 12.159,891 4.016,892 4.543,893 5.077,894 5.637,895 6.214,896 6.493,897 6.88,898 7.216,899 7.519,900 7.579,901 0.923,902 64,903 15.239,905 6.347,906 7.565,907 29.822,909 24.38,911 2.065,912 84.667,916 482.615,917 153.288,918 60.955,920 58.145,923 153.288,924 540.76,925 60.955,926 28.533,927 50.606,928 56.857,929 70.487,930 71.071,931 6.604,932 470.844,934 482.615,935 214.243,936 58.145,939 341.362,940 199.398,943 82.143,944 98.529,945 33.571,947 482.615,948 119.099,949 153.288,952 482.615,953 59.278,954 103.382,955 18.011,956 91.716,957 482.615,958 119.099,959 153.288,961 0.571,962 0.328,963 0.18,964 0.1,965 27,966 12,967 0.115,968 10,969 1,970 1.071,971 5.231,972 395.481,973 0.071,974 28,975 205.66,981 29.679,982 14.388,983 7.936,984 1.721,985 119.099,986 12.966,987 9.132,991 3.743,993 18.011,994 755.002,995 54.5,1000 12.911,1004 -0.113,1007 82.825,1008 94.301,1009 0.237,1010 0.525,1011 0.74,1012 0.827,1013 0.852,1014 0.852,1015 5.259,1016 1.861,1017 6.163,1018 6.538,1019 4.812,1020 5.231,1021 2.549,1022 6.938,1023 4.694,1024 6.417,1025 1.812,1026 7.696,1027 5.225,1028 4.29,1029 4.977,1030 1.494,1031 7.766,1032 4.108,1033 7.699,1034 1.629,1035 9.328,1036 4.53,1037 6.368,1038 7.35,1039 2.805,1040 10.856,1041 6.134,1042 9.014,1043 1.497,1044 11.02,1045 4.046,1046 6.673,1047 7.967,1048 2.523,1049 12.537,1050 6.376,1051 10.367,1052 1.387,1053 12.752,1054 3.39,1055 8.193,1056 9.83,1057 3.483,1058 15.139,1059 7.854,1060 11.744,1061 1.237,1062 14.513,1063 3.134,1064 8.899,1065 10.877,1066 3.619,1067 17.193,1068 8.503,1069 13.142,1070 1.073,1071 16.294,1072 3.119,1073 10.179,1074 12.529,1075 4.385,1076 19.632,1077 9.745,1078 3.185,1079 1,1080 18.092,1081 2.578,1082 11.09,1083 13.8,1084 4.719,1085 21.859,1086 10.606,1087 2.87,1088 10.984,1089 19.903,1090 2.275,1091 12.267,1092 15.361,1093 5.379,1094 24.249,1095 11.748,1096 2.742,1097 9.064,1098 21.724,1099 4.523,1100 13.283,1101 16.747,1102 5.808,1103 26.558,1104 12.72,1105 2.625,1106 8.686,1107 23.555,1108 3.657,1109 14.421,1110 18.27,1111 6.411,1112 28.936,1113 13.822,1114 2.521,1115 7.513,1116 25.394,1117 3.525,1118 15.492,1119 19.716,1120 6.887,1121 31.285,1122 14.852,1123 2.342,1124 7.362,1125 27.239,1126 3.129,1127 16.618,1128 21.225,1129 7.458,1130 33.664,1131 15.943,1132 2.227,1133 6.965,1134 29.091,1135 2.934,1136 17.719,1137 22.701,1138 7.96,1139 36.034,1140 17.005,1141 31085,1142 46350,1143 30.512,1144 52.557,1145 66.4,1146 67.816,1147 67.682,1148 66.189,1149 66.184,1150 80.073,1151 13.04,1152 184.219,1153 62.35,1154 5.597,1155 5.691,1156 6.527,1157 5.225,1158 5.185,1159 7.523,1160 2.972,1161 18.176,1162 5.055,1163 18.625,1164 1.476,1165 1.507,1166 1.504,1167 1.471,1168 1.471,1169 1.779,1170 0.29,1171 4.094,1172 1.386,1173 4.087,1174 4.12,1175 4.057,1176 3.977,1177 7.429,1178 3.992,1179 3.933,1180 3.964,1181 3.876,1182 3.834,1183 5.092,1184 3.838,1185 3.859,1186 3.928,1187 3.725,1188 3.701,1189 4.861,1190 3.696,1191 3.786,1192 3.843,1193 3.695,1194 3.589,1195 4.754,1196 3.606,1197 3.59,1198 3.651,1199 3.478,1200 3.414,1201 4.473,1202 3.406,1203 3.571,1204 3.63,1205 3.419,1206 3.398,1207 4.427,1208 3.393,1209 3.439,1210 3.488,1211 3.317,1212 3.221,1213 4.333,1214 3.25,1215 3.299,1216 3.351,1217 3.216,1218 3.02,1219 4.286,1220 3.065,1221 0.102,1222 0.082,1223 0.149,1224 0.092,1225 0.071,1226 4.597,1227 0.101,1228 3.691,1229 0.038,1230 6.725,1231 0.244,1232 4.143,1233 0.068,1234 3.185,1235 4.523,1236 1.701,1237 10.984,1238 3.055,1239 2.006,1240 1.984,1241 2.072,1242 2.138,1243 1.418,1244 2.118,1245 1.888,1246 1.863,1247 2.058,1248 2.029,1249 1.299,1250 2.043,1251 1.836,1252 1.77,1253 1.999,1254 2.017,1255 1.175,1256 2.011,1257 1.731,1258 1.667,1259 1.921,1260 1.94,1261 1.125,1262 1.938,1263 1.581,1264 1.517,1265 1.863,1266 1.787,1267 1.094,1268 1.813,1269 1.558,1270 1.496,1271 1.828,1272 1.762,1273 1.013,1274 1.785,1275 1.345,1276 1.3,1277 1.59,1278 1.616,1279 0.825,1280 1.6,1281 1.175,1282 1.12,1283 1.513,1284 1.484,1285 0.825,1286 1.456,1287 4.511,1289 5.814,1291 7.314,1293 8.905,1295 10.546,1297 5.633,1303 11.506,1305 2.991,1306 17.52,1308 0.106,1309 6.549,1314 49.47,1315 125.561,1316 277.832,1317 391.296,1318 437.354,1319 450.864,1320 450.864,1321 74.498,1322 8.828,1323 92.29,1324 92.29,1325 30,1326 12.828,1327 4.248,1328 3.392,1329 66.785,1330 251,1331 273,1332 0.125,1333 301.57,1334 527.76,1335 727.591,1336 110217,1338 28.606,1339 0.698,1340 0.597,1341 28.606,1342 24.473,1343 19.996,1344 0.444,1345 0.328,1346 14.497,1347 19.002,1348 14.139,1349 11.709,1350 19.996,1351 14.754,1352 17.611,1353 0.289,1354 0.179,1355 17.611,1356 10.917,1357 14.504,1358 0.184,1359 0.096,1360 14.504,1361 7.568,1362 12.161,1363 0.119,1364 0.053,1365 12.161,1366 5.441,1367 10.068,1368 0.076,1369 0.029,1370 10.068,1371 3.85,1372 0.205,1373 126.469,1374 0.181,1375 37.724,1376 0.32,1377 212,1378 603.501,1379 237.526,1380 565.996,1381 780.93,1382 536,1383 246,1384 578.93,1385 272.114,1386 578.441,1387 848.02,1388 544,1389 5.1}
{0 CHEMBL1270795,1 1.752,2 8.522,3 2.825,4 7.981,5 94.82,6 9.541,7 0.769,8 3.745,9 3.861,10 3.627,11 3.351,12 4.91,13 3.312,14 4.209,15 4.367,16 3.97,17 3.712,18 5.319,19 3.661,20 4.256,21 4.425,22 3.868,23 3.709,24 5.358,25 3.636,26 4.331,27 4.515,28 3.93,29 3.745,30 5.397,31 3.665,32 4.326,33 4.522,34 3.971,35 3.735,36 5.404,37 3.649,38 4.264,39 4.453,40 3.985,41 3.757,42 5.309,43 3.618,44 4.24,45 4.431,46 3.775,47 3.643,48 5.301,49 3.496,50 4.101,51 4.331,52 3.289,53 3.424,54 5.026,55 3.239,56 0.092,57 0.673,58 5.426,59 2.906,60 6.107,61 3.02,62 0.212,63 1.041,64 14.778,65 5.41,66 11.7,67 5.489,68 0.286,69 1.063,70 13.823,71 5.421,72 16.478,73 5.543,74 0.26,75 1.123,76 16.842,77 6.157,78 16.015,79 6.444,80 0.331,81 1.127,82 16.061,83 5.65,84 20.207,85 5.833,86 0.233,87 1.049,88 17.888,89 6.823,90 14.983,91 6.756,92 0.299,93 1.019,94 19.146,95 6.513,96 19.737,97 6.525,98 0.219,99 0.792,100 16.866,101 5.93,102 16.292,103 6.307,104 6,105 37,106 0.312,107 0.747,108 0.854,109 0.874,110 0.874,111 0.874,112 3.19,113 1.022,114 -2.74,115 -2.75,116 -2.67,119 38.9,120 1,124 1,142 1,143 1,145 2,146 1,147 2,151 2,152 1,153 1,161 1,168 1,174 1,175 5,178 1,180 2,183 1,187 2,188 2,191 3,199 1,200 1,203 1,205 2,212 2,213 4,216 1,218 1,221 1,224 2,225 1,233 1,237 1,238 4,241 2,242 1,243 1,246 1,250 1,258 1,264 1,269 1,272 1,276 666,277 15.903,278 15.903,279 15.903,280 15.903,281 15.903,282 13.576,283 14.241,284 9.315,285 16.69,286 12.813,287 12.813,288 12.813,289 12.813,290 12.813,291 9.256,292 23.165,293 4.388,294 13.942,295 3.418,296 0.976,297 0.375,298 0.264,299 0.264,300 0.264,301 3.886,304 1,305 1,306 1,307 433,308 2.449,311 153.805,312 55.903,315 85.009,319 1.327,320 13.314,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 49.5,332 196,333 4.68,334 4.332,335 6.833,336 4.178,337 3.244,338 4.643,339 2.95,340 11.361,341 3.036,342 4.136,343 3.234,344 6.11,345 3.712,346 2.772,347 3.74,348 0.4,349 8.92,350 2.606,351 4.017,352 2.883,353 5.568,354 3.55,355 2.609,356 3.622,358 7.578,359 2.445,360 3.619,361 2.654,362 5.267,363 3.125,364 2.248,365 3.051,367 6.624,368 1.953,369 3.48,370 2.433,371 5.175,372 3.014,373 2.078,374 2.866,376 6.109,377 1.938,378 3.082,379 2.205,380 4.623,381 2.64,382 1.724,383 2.267,385 4.842,386 1.563,387 2.784,388 1.866,389 4.22,390 2.279,391 1.342,392 1.906,394 3.558,395 1.251,396 2.54,397 1.367,398 3.833,399 2.007,400 1.109,401 1.557,403 2.758,404 0.99,405 2.22,406 1.215,407 3.283,408 1.714,409 0.753,410 1.092,412 1.862,413 0.716,414 2.158,415 0.793,416 3.268,417 1.647,418 0.694,419 1.003,421 1.703,422 0.656,423 2.118,424 0.736,425 3,426 1.547,427 0.618,428 0.927,430 1.372,431 0.572,432 1.56,433 0.618,434 2.906,435 1.179,436 0.387,437 0.442,439 0.588,440 0.302,441 1.241,442 0.415,443 2.794,444 0.847,445 -0.078,446 -0.1,448 -0.226,449 -0.072,450 0.709,451 0.058,452 2.514,453 0.299,454 -0.613,455 -0.763,457 -1.47,458 -0.54,459 0.614,460 -0.402,461 2.157,462 0.189,463 -0.752,464 -0.943,466 -1.898,467 -0.701,468 11.467,469 0.499,470 0.516,471 0.022,472 33,473 1.435,474 17,475 0.739,476 16,477 0.696,478 17.371,479 0.755,480 23.333,481 0.648,482 20.288,483 0.882,484 6.09,485 0.265,486 5.151,487 0.224,488 0.087,490 0.34,496 0.916,497 1.275,498 0.667,499 0.856,500 0.856,501 0.789,502 0.976,503 1.205,504 0.904,505 0.984,506 0.773,507 0.771,508 1.02,509 0.971,510 1.026,511 0.997,512 1.054,513 1.013,514 1.059,515 1.174,516 0.974,517 1.037,518 0.979,519 0.977,520 1.205,521 0.948,522 0.91,523 0.847,524 1.055,525 0.846,526 0.944,527 0.942,528 0.848,529 0.831,530 0.804,531 0.889,532 0.941,533 1.038,534 1.38,535 1.346,536 1.127,537 1.227,538 1.151,539 0.916,540 1.294,541 1.149,542 1.185,543 1.236,544 4.5,545 0.033,546 2.222,547 1.569,548 1.054,549 0.761,550 0.475,551 0.309,552 0.182,553 0.059,554 5511,555 16989,556 2.168,557 36.1,559 4,560 2,561 2,562 2,563 3,567 1.663,568 2.06,569 3.092,570 0.45,571 1,572 1,574 1,577 63.057,578 1.752,579 4.194,580 4.795,581 4.906,582 4.906,583 4.906,584 2.525,585 3.915,586 4.493,587 3.219,588 814.427,589 7.767,590 9017.48,591 1,592 1,593 1,594 1,595 186.117,596 1.302,597 4.469,598 0.173,599 0.006,600 0.06,601 0.048,602 0.031,603 0.023,604 0.015,605 0.012,606 0.011,607 0.006,608 0.385,609 0.33,610 1,611 0.7,612 105.649,613 -0.022,614 -0.188,615 0.07,616 -0.016,617 -0.088,618 0.006,619 0.007,620 -0.144,621 0.024,622 -0.028,623 0.109,624 0.108,625 0.001,626 0.085,627 -0.18,628 -0.111,629 -0.123,630 -0.161,631 -0.065,632 -0.161,633 -0.058,634 -0.104,635 -0.05,636 -0.066,637 -0.107,638 0.091,639 0.027,640 0.084,641 -0.053,642 0.05,643 -0.024,644 0.059,645 0.18,646 0.201,647 0.104,648 0.082,649 0.04,650 -0.008,651 -0.212,652 -0.222,653 -0.087,654 -0.245,655 -0.271,656 -0.001,657 -0.241,658 -0.108,659 -0.241,660 -0.184,661 0.949,662 1.643,663 0.826,664 18.563,665 1.014,666 1.127,667 1.51,668 2.28,669 0.739,670 3.296,671 3.638,672 3.951,673 4.277,674 4.431,675 4.625,676 4.787,677 4.92,678 4.963,679 4.956,680 5.206,681 0.697,682 343.48,683 3.296,684 4.844,685 5.714,686 6.611,687 7.501,688 8.406,689 9.304,690 10.214,691 11.117,692 12.029,693 19.4,701 3,703 4,708 1,709 5,710 4,711 1,713 1,714 6,716 20,728 1,735 36,737 20,739 26,741 39,742 14,743 12,748 4,749 5,754 1,762 12,763 2,779 1,780 1,783 13,784 5,785 2,786 9,787 2,789 1,790 1,792 7,797 0.75,806 1,807 1,815 3,816 1,819 1,843 3,844 1,845 2,847 2,851 23,860 1,862 1,881 11.167,882 7.25,883 5.028,884 1.917,886 3.611,887 1.497,888 1.044,889 3.889,890 10.88,891 3.611,892 4.287,893 4.953,894 5.629,895 6.055,896 6.553,897 7.041,898 7.509,899 7.808,900 8.114,901 0.833,902 33,903 8.416,905 3.551,906 7.601,907 16.13,909 13.12,911 2.101,912 48.333,916 129.482,917 139.747,918 101.17,922 63.272,923 76.475,924 129.482,925 101.17,926 16.016,928 27.571,929 90.468,930 60.927,931 29.749,932 145.669,934 129.482,935 177.646,937 63.272,939 129.482,943 68.282,944 44.154,945 65.21,946 63.272,947 129.482,948 101.17,949 139.747,952 129.482,953 78.065,954 62.968,955 34.674,956 65.21,957 129.482,958 101.17,959 139.747,961 0.58,962 0.346,963 0.197,964 0.1,965 20,966 8,967 0.103,968 4,969 1,970 1.105,971 3.543,972 194.215,973 0.105,974 19,975 104.042,977 2,981 14.815,982 6.037,983 2.78,984 0.769,985 83.221,986 9.437,987 17.466,988 2.834,990 1.411,991 5.504,993 34.674,994 370.399,995 36,1007 36.516,1008 40.574,1009 0.339,1010 0.811,1011 0.927,1012 0.949,1013 0.949,1014 0.949,1015 4.836,1016 1.109,1017 5.7,1018 3.558,1019 4.317,1020 4.973,1021 2.93,1022 6.535,1023 4.163,1024 6.067,1025 0.753,1026 7.266,1027 2.758,1028 3.892,1029 4.808,1031 7.455,1032 3.675,1033 7.39,1034 0.694,1035 8.93,1036 1.862,1037 5.927,1038 7.27,1039 5.027,1040 10.591,1041 5.636,1042 8.754,1043 0.618,1044 10.655,1045 1.703,1046 6.365,1047 8.011,1049 12.378,1050 6.014,1051 10.152,1052 0.387,1053 12.419,1054 1.372,1055 7.831,1056 9.873,1057 7.185,1058 15.028,1059 7.414,1060 11.575,1061 -0.078,1062 14.212,1063 0.588,1064 8.655,1065 11.031,1067 17.179,1068 8.179,1069 13.016,1070 -0.613,1071 16.026,1072 -0.226,1073 9.913,1074 12.669,1075 9.348,1076 19.675,1077 9.373,1078 3.244,1079 -0.752,1080 17.858,1081 -1.47,1082 10.917,1083 14.025,1085 21.982,1086 10.314,1087 2.772,1088 11.361,1089 19.703,1090 -1.898,1091 12.1,1092 15.582,1093 11.511,1094 24.428,1095 11.435,1096 2.609,1097 8.92,1098 21.56,1099 4.643,1100 13.187,1101 17.031,1103 26.801,1104 12.457,1105 2.248,1106 7.578,1107 23.426,1108 3.74,1109 14.348,1110 18.562,1111 13.675,1112 29.232,1113 13.554,1114 2.078,1115 6.624,1116 25.3,1117 3.622,1118 15.475,1119 20.053,1121 31.635,1122 14.615,1123 1.724,1124 6.109,1125 27.181,1126 3.051,1127 16.632,1128 21.579,1129 15.838,1130 34.062,1131 15.708,1132 1.342,1133 4.842,1134 29.067,1135 2.866,1136 17.779,1137 23.091,1139 36.479,1140 16.788,1141 5219,1142 9316,1143 17.8,1144 26.62,1145 39.556,1146 42.123,1147 39.861,1148 39.122,1149 39.157,1150 54.229,1151 6.7,1152 114.552,1153 36.057,1154 5.463,1155 6.332,1156 6.429,1157 5.271,1158 5.244,1159 7.643,1160 5.9,1161 18.778,1162 4.958,1163 8.606,1164 1.521,1165 1.62,1166 1.533,1167 1.505,1168 1.506,1169 2.086,1170 0.258,1171 4.406,1172 1.387,1173 4.141,1174 4.191,1175 4.232,1176 3.98,1177 5.134,1178 4.003,1179 3.851,1180 3.898,1181 4.122,1182 3.8,1183 4.963,1184 3.749,1185 3.78,1186 3.833,1187 3.827,1188 3.607,1189 4.813,1190 3.619,1191 3.353,1192 3.403,1193 3.638,1194 3.3,1195 4.442,1196 3.219,1197 3.174,1198 3.261,1199 3.106,1200 2.982,1201 4.024,1202 2.972,1203 3.009,1204 3.103,1205 2.993,1206 2.845,1207 3.776,1208 2.799,1209 2.847,1210 2.928,1211 2.815,1212 2.686,1213 3.681,1214 2.662,1215 2.526,1216 2.639,1217 2.438,1218 2.265,1219 3.518,1220 2.264,1221 0.18,1222 0.167,1223 0.263,1224 0.161,1225 0.125,1226 4.68,1227 0.179,1228 4.332,1229 0.113,1230 6.833,1231 0.437,1232 4.178,1233 0.117,1234 3.244,1235 4.643,1236 2.95,1237 11.361,1238 3.036,1239 1.86,1240 1.819,1241 1.886,1242 2.043,1243 1.049,1244 2.01,1245 1.604,1246 1.569,1247 1.768,1248 1.746,1249 0.861,1250 1.748,1251 1.539,1252 1.494,1253 1.663,1254 1.697,1255 0.762,1256 1.7,1257 1.292,1258 1.256,1259 1.518,1260 1.638,1261 0.644,1262 1.59,1263 1.248,1264 1.148,1265 1.433,1266 1.438,1267 0.492,1268 1.511,1269 1.193,1270 1.141,1271 1.336,1272 1.373,1273 0.314,1274 1.408,1275 1.079,1276 1.014,1277 1.257,1278 1.281,1279 0.215,1280 1.284,1281 0.684,1282 0.627,1283 0.962,1284 0.942,1285 0.055,1286 0.971,1287 3.97,1289 5.303,1290 3.434,1291 6.815,1292 5.687,1293 8.416,1294 7.687,1295 10.075,1297 3.971,1305 3.326,1307 1.588,1314 25.104,1315 63.057,1316 150.998,1317 172.608,1318 176.608,1319 176.608,1320 176.608,1321 23.544,1322 7.268,1323 83.79,1324 137.33,1325 21,1326 12.545,1327 4.392,1328 3.459,1329 31.652,1330 72,1331 73,1332 0.223,1333 161.892,1334 250.62,1335 386.777,1336 12706,1338 15.811,1339 0.687,1340 0.612,1341 16.518,1342 14.072,1343 11.242,1344 0.432,1345 0.341,1346 6.916,1347 9.795,1348 6.517,1349 5.441,1350 12.253,1351 8.858,1352 10.139,1353 0.274,1354 0.177,1355 11.209,1356 6.545,1357 8.802,1358 0.173,1359 0.093,1360 9.958,1361 4.754,1362 7.692,1363 0.108,1364 0.047,1365 8.748,1366 3.346,1367 5.599,1368 0.067,1369 0.025,1370 6.487,1371 2.041,1372 0.337,1373 80.829,1374 0.237,1375 22.159,1376 0.649,1377 126,1378 376.612,1379 181.52,1380 412.314,1381 577.35,1382 388,1383 151,1384 416.964,1385 198.946,1386 450.716,1387 655.18,1388 421,1389 5}
{0 CHEMBL127898,1 1.79,2 13,3 4.813,4 23.163,5 134.423,6 8.957,7 0.415,8 4.181,9 4.273,10 3.887,11 3.716,12 5.486,13 3.746,14 4.716,15 4.852,16 4.321,17 4.087,18 6.373,19 4.111,20 4.858,21 4.993,22 4.328,23 4.271,24 6.12,25 4.258,26 5.078,27 5.249,28 4.385,29 4.322,30 6.407,31 4.304,32 5.138,33 5.335,34 4.368,35 4.338,36 6.4,37 4.316,38 5.117,39 5.316,40 4.33,41 4.375,42 6.315,43 4.327,44 5.137,45 5.356,46 4.365,47 4.359,48 6.336,49 4.315,50 5.058,51 5.235,52 4.44,53 4.365,54 6.375,55 4.351,56 0.226,57 1.047,58 7.302,59 5.033,60 36.137,61 5.1,62 1.408,63 1.921,64 18.736,65 8.122,66 169.767,67 8.333,68 0.599,69 1.756,70 18.301,71 10.353,72 64.961,73 11.424,74 1.003,75 2.081,76 28.225,77 12.619,78 143.946,79 14.027,80 1.346,81 2.278,82 35.066,83 13.481,84 166.319,85 14.911,86 1.01,87 2.214,88 31.278,89 13.454,90 145.687,91 15.747,92 1.087,93 2.062,94 35.81,95 13.533,96 159.806,97 17.391,98 0.941,99 2.166,100 27.347,101 12.067,102 109.598,103 13.944,104 75,105 59,106 0.286,107 0.657,108 0.781,109 0.847,110 0.847,111 0.847,112 3.668,113 0.818,114 -3.63,115 -3.6,116 -3.43,119 46.6,124 2,125 1,127 1,133 1,135 1,136 2,138 1,142 8,143 3,144 1,145 1,152 1,158 3,160 1,172 13,174 2,175 8,183 14,187 2,188 12,196 10,199 3,200 14,208 4,212 1,213 15,221 3,224 1,225 13,233 4,237 4,238 12,246 9,249 3,250 8,258 13,263 4,264 8,272 12,276 3068,277 25.118,278 25.118,279 25.118,280 25.118,281 25.118,282 22.366,283 26.612,284 14.361,285 25.928,286 20.048,287 20.048,288 20.048,289 20.048,290 20.048,291 15.636,292 26.644,293 6.597,294 21.475,295 4.068,296 1.747,297 0.97,298 0.556,299 0.556,300 0.556,301 4.355,306 1,307 1041,308 4.416,311 118.433,312 408.33,319 1.737,320 61.181,323 0.75,324 0.83,325 0.83,326 0.3,327 0.5,328 0.83,329 1,330 0.72,331 86,332 494,333 4.573,334 4.437,335 6.821,336 4.208,337 3.233,338 4.093,339 4.032,340 11.204,341 3.156,342 4.377,343 4.116,344 6.659,345 4.053,346 3.136,347 3.948,348 2.035,349 10.682,350 2.959,351 4.2,352 4.057,353 6.455,354 3.897,355 3.098,356 3.652,357 2.035,358 10.195,359 2.683,360 4.063,361 3.682,362 6.136,363 3.663,364 2.679,365 3.599,366 1.704,367 8.748,368 2.529,369 4.044,370 3.546,371 5.702,372 3.568,373 2.592,374 3.249,375 1.24,376 7.576,377 2.413,378 3.766,379 3.064,380 5.585,381 3.311,382 2.353,383 2.992,384 0.831,385 7.159,386 2.202,387 3.705,388 2.726,389 5.276,390 3.226,391 2.266,392 2.958,393 0.394,394 6.632,395 2.163,396 3.495,397 2.66,398 5.218,399 3.095,400 2.148,401 2.603,402 0.284,403 6.518,404 1.993,405 3.186,406 2.44,407 4.735,408 2.606,409 1.643,410 2.184,412 4.752,413 1.574,414 3.069,415 2.362,416 4.486,417 2.451,418 1.5,419 1.944,421 4.231,422 1.413,423 2.911,424 1.995,425 3.848,426 2.063,427 1.147,428 1.586,430 2.804,431 1.047,432 2.731,433 1.878,434 3.636,435 2,436 1.03,437 1.5,439 2.373,440 1,441 2.56,442 1.53,443 3.414,444 2,445 1,446 1.5,448 2.275,449 1,450 2.5,451 1.311,452 3.414,453 1.946,454 1,455 1.321,457 2.275,458 0.938,459 2.5,460 1.179,461 3.4,462 1.725,463 0.759,464 1.154,466 1.713,467 0.725,468 17.357,469 0.457,470 1.151,471 0.03,472 52,473 1.368,474 27,475 0.711,476 25,477 0.658,478 32.102,479 0.845,480 40.243,481 0.694,482 50.101,483 1.318,484 10.746,485 0.283,486 7.361,487 0.194,488 0.172,489 0.029,490 0.334,495 3,496 0.646,497 1.06,498 0.599,499 1.093,500 0.561,501 0.911,502 0.495,503 0.531,504 0.692,505 0.683,506 0.33,507 0.733,508 0.577,509 0.823,510 0.847,511 1.163,512 0.445,513 1.14,514 0.816,515 0.87,516 0.999,517 1.14,518 0.669,519 1.155,520 1.026,521 0.869,522 1.06,523 0.899,524 0.813,525 0.966,526 0.751,527 0.847,528 1.053,529 1.092,530 0.699,531 1.162,532 0.538,533 0.645,534 0.782,535 0.864,536 0.553,537 0.907,538 0.659,539 0.844,540 0.857,541 0.996,542 0.648,543 1.001,544 9,545 0.407,546 5.111,547 3.063,548 2.52,549 1.476,550 1.209,551 1.065,552 0.828,553 0.61,554 20406,555 80312,556 2.001,557 34.5,559 18,561 2,567 1.795,568 1.831,569 3.579,570 -0.705,577 103.823,578 1.79,579 4.111,580 4.888,581 5.302,582 5.302,583 5.302,584 3.006,585 4.84,586 5.216,587 3.802,588 2672.77,589 9.233,590 43808.8,595 339.763,596 1.656,597 5.15,598 0.22,599 0.008,600 0.087,601 0.049,602 0.041,603 0.024,604 0.02,605 0.017,606 0.012,607 0.01,608 0.487,609 0.33,610 0.88,611 1.039,612 208.94,613 -0.041,614 -0.152,615 0.038,616 -0.117,617 -0.054,618 -0.04,619 0.455,620 0.469,621 0.145,622 0.282,623 0.405,624 0.155,625 0.011,626 -0.074,627 -0.086,628 -0.183,629 0.034,630 -0.18,631 -0.053,632 -0.123,633 -0.089,634 -0.17,635 0.007,636 -0.159,637 -0.132,638 -0.017,639 -0.059,640 0.089,641 -0.058,642 0.061,643 -0.067,644 -0.034,645 -0.122,646 -0.109,647 -0.06,648 -0.124,649 0.06,650 0.001,651 0.203,652 0.101,653 0.033,654 0.176,655 0.005,656 -0.065,657 0.02,658 -0.037,659 -0.004,660 -0.011,661 6.086,662 5.778,663 0.605,664 43.235,665 1.034,666 1.136,667 2.404,668 5.778,669 0.691,670 3.738,671 4.094,672 4.344,673 4.595,674 4.796,675 4.913,676 5.088,677 5.215,678 5.303,679 5.398,680 7.677,681 0.692,682 519.52,683 3.738,684 5.303,685 6.155,686 7.048,687 7.918,688 8.814,689 9.692,690 10.59,691 11.473,692 12.372,693 8.6,700 1,701 1,702 2,703 1,709 10,710 1,714 5,715 1,716 17,718 1,733 1,735 58,737 22,738 2,739 41,741 61,742 27,743 15,744 4,745 8,746 5,748 4,749 4,760 1,761 2,762 20,763 5,767 3,772 1,774 1,776 4,781 3,783 20,784 10,786 11,789 1,792 5,797 1,798 3,815 1,816 3,825 1,830 1,834 2,835 2,842 1,843 4,847 2,849 3,851 38,858 1,861 2,863 1,864 1,865 1,866 2,870 2,872 2,873 3,874 5.2,877 1,878 1,879 1,881 20.75,882 11.429,883 8.347,884 3.186,886 2.779,887 1.352,888 0.97,889 7.696,890 10.686,891 4.052,892 4.608,893 5.175,894 5.694,895 6.151,896 6.454,897 6.837,898 7.15,899 7.471,900 7.753,901 0.889,902 62,903 14.664,905 6.783,906 8.318,907 25.321,909 20.288,911 2.818,912 107.083,916 235.422,917 198.748,918 83.928,920 47.145,921 44.88,923 198.748,924 282.567,925 128.808,926 16.793,927 7.717,928 85.286,929 125.756,930 150.117,931 2.757,932 211.88,933 9.817,934 235.422,935 282.675,936 92.025,939 235.422,940 36.145,941 55.88,942 9.817,943 89.401,944 154.439,945 29.019,947 280.302,948 131.072,949 198.748,952 245.239,953 35.982,954 124.768,955 33.203,956 170.929,957 235.422,958 175.953,959 198.748,961 0.589,962 0.34,963 0.18,964 0.094,965 27,966 14,967 0.115,968 7,970 1,971 4.538,972 377.548,974 23,975 186.666,981 26.705,982 10.951,983 5.98,985 174.054,986 15.215,987 4.157,991 1.986,992 1.779,994 610.122,995 56.5,1000 12.778,1002 1.39,1004 0.171,1007 59.981,1008 65.876,1009 0.306,1010 0.702,1011 0.834,1012 0.905,1013 0.905,1014 0.905,1015 5.329,1016 2.148,1017 6.184,1018 6.632,1019 4.779,1020 5.296,1021 3.909,1022 7.038,1023 4.661,1024 6.57,1025 1.643,1026 7.78,1027 6.518,1028 4.575,1029 5.112,1030 4.09,1031 8.15,1032 4.327,1033 7.897,1034 1.5,1035 9.478,1036 4.752,1037 6.46,1038 7.46,1039 5.9,1040 11.17,1041 6.223,1042 9.254,1043 1.147,1044 11.234,1045 4.231,1046 7.031,1047 8.055,1048 6.962,1049 13.031,1050 6.675,1051 10.638,1052 1.03,1053 13.025,1054 2.804,1055 8.433,1056 9.878,1057 8.445,1058 15.63,1059 8.073,1060 12.04,1061 1,1062 14.84,1063 2.373,1064 9.325,1065 10.834,1066 9.76,1067 17.785,1068 8.872,1069 13.458,1070 1,1071 16.67,1072 2.275,1073 10.557,1074 12.431,1075 11.174,1076 20.247,1077 10.085,1078 3.233,1079 0.759,1080 18.513,1081 2.275,1082 11.59,1083 13.575,1084 12.549,1085 22.527,1086 11.049,1087 3.136,1088 11.204,1089 20.365,1090 1.713,1091 12.762,1092 15.064,1093 13.948,1094 24.941,1095 12.193,1096 3.098,1097 10.682,1098 22.225,1099 4.093,1100 13.858,1101 16.311,1102 15.337,1103 27.278,1104 13.236,1105 2.679,1106 10.195,1107 24.091,1108 3.948,1109 15.01,1110 17.745,1111 16.733,1112 29.674,1113 14.358,1114 2.592,1115 8.748,1116 25.962,1117 3.652,1118 16.135,1119 19.051,1120 18.126,1121 32.038,1122 15.441,1123 2.353,1124 7.576,1125 27.838,1126 3.599,1127 17.283,1128 20.459,1129 19.521,1130 34.429,1131 16.559,1132 2.266,1133 7.159,1134 29.717,1135 3.249,1136 18.421,1137 21.798,1138 20.915,1139 36.807,1140 17.663,1141 19945,1142 39867,1143 26.353,1144 40.057,1145 65.436,1146 67.004,1147 64.489,1148 61.742,1149 61.369,1150 79.987,1151 25.109,1152 182.531,1153 57.664,1154 5.522,1155 6.437,1156 6.372,1157 5.3,1158 5.233,1159 7.093,1160 6.067,1161 18.808,1162 5.156,1163 24.103,1164 1.596,1165 1.634,1166 1.573,1167 1.506,1168 1.497,1169 1.951,1170 0.612,1171 4.452,1172 1.406,1173 4.05,1174 4.083,1175 4.007,1176 3.957,1177 8.516,1178 3.963,1179 3.971,1180 4.002,1181 3.93,1182 3.892,1183 7.999,1184 3.894,1185 3.84,1186 3.885,1187 3.788,1188 3.687,1189 7.999,1190 3.709,1191 3.783,1192 3.807,1193 3.746,1194 3.659,1195 7.428,1196 3.674,1197 3.425,1198 3.45,1199 3.449,1200 3.23,1201 6.822,1202 3.254,1203 3.387,1204 3.425,1205 3.336,1206 3.103,1207 6.817,1208 3.126,1209 3.263,1210 3.331,1211 3.205,1212 3.006,1213 4.967,1214 3.069,1215 3.159,1216 3.219,1217 3.055,1218 2.892,1219 4.822,1220 2.938,1221 0.112,1222 0.108,1223 0.166,1224 0.103,1225 0.079,1226 4.573,1227 0.1,1228 4.437,1229 0.098,1230 6.821,1231 0.273,1232 4.208,1233 0.077,1234 3.233,1235 4.093,1236 4.032,1237 11.204,1238 3.156,1239 1.967,1240 1.949,1241 2.049,1242 2.065,1243 1.212,1244 2.058,1245 1.93,1246 1.908,1247 2.024,1248 2.012,1249 1.168,1250 2.016,1251 1.731,1252 1.707,1253 1.836,1254 1.881,1255 0.944,1256 1.865,1257 1.6,1258 1.548,1259 1.772,1260 1.819,1261 0.881,1262 1.808,1263 1.368,1264 1.308,1265 1.551,1266 1.6,1267 0.646,1268 1.583,1269 1.287,1270 1.235,1271 1.538,1272 1.533,1273 0.593,1274 1.503,1275 1.181,1276 1.109,1277 1.425,1278 1.49,1279 0.539,1280 1.443,1281 1.11,1282 1.066,1283 1.258,1284 1.421,1285 0.232,1286 1.369,1287 4.419,1289 5.765,1290 2.398,1291 7.296,1292 4.595,1293 8.911,1294 6.555,1295 10.572,1297 3.295,1299 37.78,1303 -0.094,1306 10.261,1308 -0.628,1309 1.285,1310 -4.836,1312 18.614,1313 3.931,1314 40.142,1315 103.823,1316 238.425,1317 283.498,1318 307.498,1319 307.498,1320 307.498,1321 104.977,1322 7.907,1323 105.86,1324 105.86,1325 23,1326 12.898,1327 4.524,1328 4.044,1329 67.116,1330 169,1331 194,1332 0.186,1333 245.834,1334 453.5,1335 591.595,1336 28843,1337 5.2,1338 27.449,1339 0.722,1340 0.532,1341 24.949,1342 20.23,1343 18.107,1344 0.442,1345 0.273,1346 10.934,1347 17.148,1348 10.682,1349 8.845,1350 16.96,1351 11.18,1352 16.998,1353 0.288,1354 0.141,1355 14.641,1356 8.321,1357 13.681,1358 0.18,1359 0.078,1360 13.357,1361 5.911,1362 11.211,1363 0.114,1364 0.041,1365 10.549,1366 3.981,1367 8.596,1368 0.072,1369 0.022,1370 8.102,1371 2.628,1372 0.29,1373 115.626,1374 0.195,1375 34.045,1376 0.521,1377 200,1378 853.765,1379 236.133,1380 742.813,1381 968.14,1382 686,1383 235,1384 675.37,1385 262.827,1386 669.301,1387 993.49,1388 621,1389 5.1}
{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 7,237 4,238 3,241 1,243 7,246 12,250 3,253 1,255 2,258 10,263 2,264 4,267 4,268 1,272 9,276 2967,277 24.159,278 24.159,279 24.159,280 24.159,281 24.159,282 21.673,283 38.907,284 14.205,285 24.832,286 19.81,287 19.81,288 19.81,289 19.81,290 19.81,291 16.019,292 60.338,293 6.843,294 20.944,295 4.586,296 2.559,297 1.429,298 1.025,299 0.987,300 0.987,301 4.33,306 1,307 1286,308 4.69,311 129.463,312 413.698,319 2.793,320 37.72,323 0.75,324 0.5,325 0.67,326 0.9,327 1,328 0.67,329 0.5,330 0.71,331 80,332 605,333 4.875,334 4.691,335 7.355,336 4.393,337 3.462,338 4.71,339 0.86,340 12.764,341 3.215,342 4.278,343 3.18,344 6.348,345 3.927,346 2.968,347 3.92,348 0.8,349 9.713,350 2.825,351 4.053,352 3.08,353 6.116,354 3.85,355 2.905,356 3.635,357 0.4,358 8.997,359 2.743,360 4.028,361 2.946,362 5.584,363 3.632,364 2.674,365 3.424,366 0.4,367 7.669,368 2.563,369 3.829,370 2.827,371 5.38,372 3.469,373 2.541,374 3.019,376 7.068,377 2.356,378 3.611,379 2.666,380 5.354,381 3.387,382 2.427,383 2.921,385 6.985,386 2.339,387 3.53,388 2.481,389 5.274,390 3.225,391 2.282,392 2.599,394 6.721,395 2.133,396 3.302,397 2.094,398 4.901,399 2.867,400 1.93,401 2.526,403 5.645,404 1.799,405 3.055,406 1.746,407 4.679,408 2.6,409 1.625,410 2.249,412 4.64,413 1.581,414 2.795,415 1.615,416 4.159,417 2.38,418 1.414,419 1.915,421 3.671,422 1.361,423 2.61,424 1.465,425 3.609,426 2.301,427 1.353,428 1.654,430 3.011,431 1.278,432 2.5,433 1.208,434 3.514,435 2.108,436 1.114,437 1.5,439 2.545,440 1.105,441 2.449,442 1.176,443 3.414,444 2,445 1,446 1.448,448 2.275,449 1,450 1.996,451 1,452 3.281,453 1.865,454 0.942,455 0.978,457 2.074,458 0.861,459 1.628,460 0.744,461 3.222,462 1.591,463 0.618,464 0.618,466 1.372,467 0.6,468 17.733,469 0.479,470 1.187,471 0.032,472 46.5,473 1.257,474 22.5,475 0.608,476 24,477 0.649,478 36.06,479 0.975,480 41.667,481 0.571,482 38.172,483 1.032,484 8.57,485 0.232,486 9.001,487 0.243,488 0.15,489 0.075,490 0.22,496 0.719,497 1.52,498 0.881,499 1.309,500 0.729,501 1.07,502 0.79,503 1.115,504 0.851,505 0.985,506 0.506,507 0.939,508 1.222,509 1.245,510 1.186,511 1.163,512 0.945,513 1.153,514 1.121,515 0.95,516 1.18,517 1.079,518 1.11,519 0.835,520 1.818,521 0.874,522 1.063,523 0.797,524 2.326,525 0.883,526 1.125,527 1.135,528 0.958,529 0.987,530 0.964,531 1.074,532 0.508,533 1.033,534 0.805,535 0.961,536 0.459,537 1.012,538 0.81,539 1.214,540 1.129,541 1.266,542 0.742,543 1.167,544 10.5,545 0.301,546 3.556,547 2.66,548 1.801,549 1.08,550 0.94,551 0.66,552 0.432,553 0.325,554 24047,555 57016,556 2.026,557 49.3,558 3,559 16,561 1,562 3,564 13,567 1.776,568 1.881,569 3.948,570 0.809,577 117.093,578 1.604,579 3.63,580 4.761,581 5.165,582 5.203,583 5.203,584 3.422,585 4.757,586 5.176,587 4.193,588 2792.67,589 9.083,590 48931,595 451.857,596 1.595,597 5.121,598 0.262,599 0.008,600 0.062,601 0.051,602 0.035,603 0.022,604 0.02,605 0.014,606 0.01,607 0.009,608 0.493,609 0.17,610 0.63,611 0.989,612 209.085,613 0.058,614 -0.223,615 0.187,616 -0.097,617 -0.15,619 0.243,620 0.031,621 0.122,622 0.041,623 0.343,624 0.055,625 -0.14,626 -0.145,627 -0.125,628 -0.124,629 -0.057,630 -0.174,631 -0.014,632 0.021,633 0.056,634 0.021,635 0.093,636 0.154,637 -0.192,638 0.098,639 -0.094,640 0.122,641 -0.238,642 0.048,643 -0.171,644 -0.069,645 -0.098,646 -0.031,647 -0.155,648 -0.082,649 0.187,650 -0.006,651 0.083,652 0.011,653 0.127,654 -0.004,655 -0.015,656 -0.164,657 -0.103,658 -0.217,659 0.012,660 -0.156,661 4.57,662 5.733,663 0.622,664 54.171,665 0.999,666 1.134,667 3.134,668 9.82,669 0.65,670 3.714,671 4.06,672 4.205,673 4.443,674 4.575,675 4.585,676 4.745,677 4.836,678 4.963,679 5.037,680 9.572,681 0.608,682 524.76,683 3.714,684 5.273,685 6.089,686 6.971,687 7.801,688 8.682,689 9.52,690 10.401,691 11.244,692 12.124,693 8.2,695 1,696 1,701 2,703 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 6,797 1,798 3,810 1,812 1,815 1,816 3,839 1,843 4,845 1,847 4,851 37,855 1,858 6,860 3,861 1,864 1,865 1,874 4.1,877 2,879 1,881 19.667,882 14.017,883 7.861,884 4.35,886 3.545,887 1.437,888 0.964,889 8.705,890 11.661,891 3.951,892 4.549,893 4.968,894 5.486,895 5.979,896 6.102,897 6.499,898 6.833,899 7.231,900 7.58,901 0.909,902 52,903 13.95,905 6.082,906 7.712,907 26.502,909 21.758,911 2.212,912 81.833,916 388.446,917 161.664,918 89.122,920 55.313,922 5.807,923 155.857,924 443.759,925 89.122,926 35.301,927 15.979,928 98.022,929 89.655,930 74.686,931 4.227,932 376.675,934 388.446,935 244.979,936 55.313,937 5.807,939 235.422,940 208.337,943 117.777,944 93.631,945 39.378,947 388.446,948 144.435,949 161.664,951 5.807,952 388.446,953 35.699,954 123.283,955 52.426,956 88.884,957 388.446,958 144.435,959 161.664,961 0.591,962 0.311,963 0.164,964 0.083,965 26,966 12,967 0.145,968 11,970 1,971 4.817,972 337.331,974 23,975 175.995,980 1,981 27.337,982 11.782,983 8.141,985 144.435,986 16.084,987 8.979,991 4.288,993 52.426,994 694.546,995 51,998 -3.654,1000 25.467,1007 72.923,1008 82.766,1009 0.259,1010 0.587,1011 0.769,1012 0.834,1013 0.841,1014 0.841,1015 5.212,1016 1.93,1017 6.125,1018 6.721,1019 4.745,1020 5.236,1021 1.406,1022 6.946,1023 4.636,1024 6.444,1025 1.625,1026 7.698,1027 5.645,1028 4.575,1029 5.286,1030 0.325,1031 8.148,1032 4.397,1033 7.784,1034 1.414,1035 9.383,1036 4.64,1037 6.428,1038 7.476,1039 0.977,1040 11.101,1041 6.196,1042 9.161,1043 1.353,1044 11.138,1045 3.671,1046 7.022,1047 8.306,1048 0.268,1049 13.112,1050 6.712,1051 10.572,1052 1.114,1053 12.94,1054 3.011,1055 8.424,1056 10.069,1057 0.74,1058 15.723,1059 8.06,1060 12.008,1061 1,1062 14.777,1063 2.545,1064 9.347,1065 11.257,1066 0.188,1067 18.053,1068 8.901,1069 13.463,1070 0.942,1071 16.64,1072 2.275,1073 10.598,1074 12.868,1075 0.571,1076 20.591,1077 10.093,1078 3.462,1079 0.618,1080 18.525,1081 2.074,1082 11.672,1083 14.232,1084 0.125,1085 23.047,1086 11.084,1087 2.968,1088 12.764,1089 20.428,1090 1.372,1091 12.878,1092 15.788,1093 0.439,1094 25.577,1095 12.224,1096 2.905,1097 9.713,1098 22.346,1099 4.71,1100 14.025,1101 17.241,1102 0.082,1103 28.084,1104 13.288,1105 2.674,1106 8.997,1107 24.277,1108 3.92,1109 15.225,1110 18.78,1111 0.334,1112 30.617,1113 14.416,1114 2.541,1115 7.669,1116 26.219,1117 3.635,1118 16.408,1119 20.277,1120 0.054,1121 33.145,1122 15.518,1123 2.427,1124 7.068,1125 28.169,1126 3.424,1127 17.614,1128 21.814,1129 0.252,1130 35.684,1131 16.648,1132 2.282,1133 6.985,1134 30.127,1135 3.019,1136 18.818,1137 23.334,1138 0.035,1139 38.221,1140 17.771,1141 23005,1142 35731,1143 26.118,1144 47.466,1145 59.697,1146 60.566,1147 59.67,1148 59.577,1149 59.554,1150 75.473,1151 4.92,1152 172.829,1153 56.49,1154 5.834,1155 6.691,1156 7.013,1157 5.484,1158 5.462,1159 7.71,1160 1.72,1161 20.441,1162 5.215,1163 20.779,1164 1.492,1165 1.514,1166 1.492,1167 1.489,1168 1.489,1169 1.887,1170 0.123,1171 4.321,1172 1.412,1173 4.095,1174 4.093,1175 4.737,1176 4.071,1177 7.717,1178 3.99,1179 3.952,1180 3.981,1181 3.925,1182 3.844,1183 6.999,1184 3.846,1185 3.856,1186 3.921,1187 3.803,1188 3.706,1189 5.025,1190 3.71,1191 3.819,1192 3.86,1193 3.714,1194 3.678,1195 4.832,1196 3.675,1197 3.721,1198 3.775,1199 3.664,1200 3.604,1201 4.699,1202 3.591,1203 3.509,1204 3.502,1205 3.491,1206 3.414,1207 4.406,1208 3.344,1209 3.405,1210 3.466,1211 3.252,1212 3.207,1213 4.367,1214 3.205,1215 3.19,1216 3.278,1217 3.055,1218 2.976,1219 4.255,1220 2.989,1221 0.122,1222 0.117,1223 0.184,1224 0.11,1225 0.087,1226 4.875,1227 0.118,1228 4.691,1229 0.022,1230 7.355,1231 0.319,1232 4.393,1233 0.08,1234 3.462,1235 4.71,1236 0.86,1237 12.764,1238 3.215,1239 1.972,1240 1.975,1241 2.011,1242 2.071,1243 1.224,1244 2.091,1245 1.892,1246 1.865,1247 1.989,1248 2.016,1249 1.211,1250 2.017,1251 1.774,1252 1.735,1253 1.955,1254 1.937,1255 1.152,1256 1.942,1257 1.71,1258 1.656,1259 1.868,1260 1.868,1261 1.108,1262 1.881,1263 1.59,1264 1.516,1265 1.86,1266 1.821,1267 1.058,1268 1.828,1269 1.577,1270 1.507,1271 1.824,1272 1.751,1273 0.954,1274 1.793,1275 1.358,1276 1.384,1277 1.511,1278 1.52,1279 0.787,1280 1.57,1281 1.206,1282 1.136,1283 1.423,1284 1.475,1285 0.553,1286 1.485,1287 4.394,1289 5.733,1290 2.398,1291 7.236,1292 4.443,1293 8.815,1294 6.26,1295 10.435,1297 7.312,1303 6.521,1305 9.113,1306 5.877,1309 2.425,1310 -0.579,1314 44.362,1315 117.093,1316 265.024,1317 347.553,1318 377.063,1319 379.818,1320 379.818,1321 82.179,1322 8.116,1323 108.48,1324 116.86,1325 23,1326 12.668,1327 4.392,1328 3.585,1329 65.257,1330 211,1331 223,1332 0.146,1333 277.729,1334 480.64,1335 669.419,1336 46497,1338 26.468,1339 0.715,1340 0.614,1341 26.718,1342 22.73,1343 17.571,1344 0.439,1345 0.351,1346 12.501,1347 16.151,1348 11.917,1349 9.999,1350 18.393,1351 14.027,1352 17.312,1353 0.304,1354 0.21,1355 18.598,1356 11.963,1357 12.314,1358 0.187,1359 0.115,1360 13.49,1361 7.56,1362 10.431,1363 0.124,1364 0.065,1365 11.676,1366 5.495,1367 7.585,1368 0.079,1369 0.033,1370 8.295,1371 3.138,1372 0.239,1373 118.193,1374 0.196,1375 34.67,1376 0.374,1377 194,1378 540.001,1379 250.97,1380 544.362,1381 743.53,1382 504,1383 220,1384 527.459,1385 286.601,1386 572.29,1387 826.19,1388 533,1389 5}
{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 9,238 6,243 4,246 8,249 1,250 3,253 1,255 3,258 6,264 1,267 1,268 1,269 1,272 7,276 1178,277 19.438,278 19.438,279 19.438,280 19.438,281 19.438,282 16.609,283 7.851,284 11.647,285 19.808,286 15.264,287 15.264,288 15.264,289 15.264,290 15.264,291 10.964,292 5.913,293 5.468,294 15.815,295 3.938,296 2.002,297 1.016,298 0.25,299 0.103,300 0.103,301 4.076,305 1,306 1,307 746,308 3.24,311 63.273,312 256.996,315 111.673,319 2.265,320 17.309,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 59,332 344,333 4.558,334 4.574,335 6.542,336 4.073,337 3.099,338 4.514,339 2.95,340 10.339,341 3.022,342 4.339,343 3.57,344 6.453,345 3.958,346 2.983,347 3.946,348 1.058,349 9.959,350 2.909,351 3.95,352 3.158,353 5.473,354 3.497,355 2.529,356 3.516,358 7.261,359 2.446,360 3.75,361 2.951,362 5.34,363 3.322,364 2.391,365 3.191,367 6.948,368 2.203,369 3.413,370 2.514,371 5.075,372 2.987,373 2.009,374 2.665,376 5.806,377 1.949,378 3.249,379 1.95,380 4.823,381 2.759,382 1.796,383 2.538,385 5.113,386 1.717,387 3.003,388 1.832,389 4.209,390 2.495,391 1.508,392 2.214,394 3.78,395 1.488,396 2.901,397 1.509,398 3.877,399 2.422,400 1.451,401 2.071,403 3.193,404 1.397,405 2.805,406 1.441,407 3.634,408 2.324,409 1.348,410 1.936,412 3.112,413 1.309,414 2.578,415 1.318,416 3.574,417 2.115,418 1.127,419 1.571,421 2.6,422 1.109,423 2.5,424 1.087,425 3.271,426 1.959,427 1,428 1.5,430 2.136,431 0.956,432 2.379,433 1,434 3.247,435 1.761,436 0.775,437 1.189,439 1.809,440 0.763,441 2.025,442 0.825,443 3.073,444 1.439,445 0.47,446 0.712,448 1.123,449 0.452,450 1.491,451 0.772,452 2.904,453 1.222,454 0.264,455 0.308,457 0.431,458 0.248,459 1.36,460 0.554,461 2.467,462 0.925,468 13.767,469 0.492,470 0.516,471 0.018,472 40.75,473 1.455,474 23.5,475 0.839,476 17.25,477 0.616,478 19.057,479 0.681,480 27.633,481 0.601,482 29.3,483 1.046,484 8.308,485 0.297,486 5.433,487 0.194,488 0.061,490 0.291,496 0.701,497 0.947,498 0.711,499 0.794,500 0.605,501 0.785,502 0.78,503 1.016,504 0.846,505 0.875,506 0.654,507 0.878,508 0.986,509 1.052,510 1.185,511 1.11,512 0.91,513 0.971,514 1.434,515 1.148,516 1.327,517 1.247,518 1.576,519 1.084,520 0.966,521 1.005,522 1.076,523 1.072,524 1.032,525 1.033,526 0.836,527 1.124,528 1.134,529 1.167,530 0.77,531 1.067,532 1.14,533 1.06,534 0.859,535 0.893,536 1.043,537 0.942,538 1.026,539 0.963,540 0.953,541 0.92,542 0.935,543 1.012,544 4.5,545 0.082,546 2.889,547 1.667,548 1.067,549 0.761,550 0.515,551 0.327,552 0.271,553 0.158,554 10784,555 29751,556 2.137,557 39.1,559 15,561 1,562 2,567 1.707,568 2.049,569 3.561,570 0.212,572 1,577 72.918,578 1.585,579 3.522,580 4.508,581 5.273,582 5.42,583 5.42,584 3.067,585 4.084,586 4.775,587 3.752,588 1418.13,589 8.285,590 19263.3,592 1,594 1,595 254.084,596 1.198,597 4.76,598 0.145,599 0.005,600 0.069,601 0.04,602 0.029,603 0.022,604 0.015,605 0.01,606 0.01,607 0.008,608 0.352,609 0.17,610 1,611 0.787,612 142.529,613 0.024,614 0.09,615 0.053,616 0.077,617 -0.061,618 0.052,619 0.034,620 0.019,621 0.048,622 0.062,623 0.008,624 0.006,625 -0.072,626 -0.044,627 -0.017,628 -0.004,629 0.01,630 0.003,631 -0.161,632 -0.116,633 -0.125,634 -0.148,635 -0.173,636 -0.136,637 -0.034,638 -0.029,639 -0.055,640 -0.057,641 -0.078,642 -0.058,643 0.015,644 -0.151,645 -0.111,646 -0.154,647 0.034,648 -0.077,649 -0.097,650 -0.08,651 0.008,652 0.003,653 -0.037,654 0.023,655 0.023,656 0.044,657 -0.067,658 -0.022,659 0.002,660 -0.055,661 1.758,662 5.075,663 0.75,664 31.077,665 1,666 1.109,667 3.15,668 9.92,669 0.727,670 3.466,671 3.761,672 4.043,673 4.29,674 4.477,675 4.511,676 4.663,677 4.82,678 4.92,679 5.043,680 7.218,681 0.689,682 386.51,683 3.466,684 4.99,685 5.838,686 6.703,687 7.566,688 8.438,689 9.307,690 10.184,691 11.057,692 11.936,693 8.7,700 1,701 1,703 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 4,797 0.75,798 1,807 1,809 1,815 1,816 3,819 1,834 2,843 3,844 1,845 1,847 1,851 28,860 1,862 1,874 2.2,877 1,881 13.667,882 8.567,883 6.278,884 2.606,886 4.876,887 1.631,888 1.026,889 5.448,890 12.607,891 3.807,892 4.422,893 5.057,894 5.659,895 6.184,896 6.473,897 6.95,898 7.425,899 7.784,900 8.249,901 1,902 42,903 10.281,905 4.312,906 7.685,907 19.632,909 15.861,911 2.185,912 61.167,915 1,916 188.338,917 184.601,918 68.122,920 25.145,922 32.22,923 152.381,924 213.483,925 68.122,926 8.396,927 18.011,928 113.715,929 75.069,930 39.471,931 2.757,932 208.786,934 188.338,935 220.503,936 25.145,937 32.22,939 188.338,940 25.145,943 48.622,944 119.48,945 52.401,946 32.22,947 188.338,948 93.267,949 184.601,952 188.338,953 53.442,954 131.159,955 34.674,956 58.593,957 188.338,958 93.267,959 184.601,961 0.57,962 0.34,963 0.184,964 0.096,965 20,966 8,967 0.102,968 5,969 1,970 1.095,971 4.104,972 238.128,973 0.095,974 21,975 132.606,977 1,981 18.33,982 8.322,983 4.128,984 1.916,985 76.604,986 21.257,987 8.709,988 3.076,991 4.421,993 34.674,994 466.205,995 44,1000 12.075,1002 3.931,1004 -0.092,1007 45.996,1008 51.029,1009 0.287,1010 0.638,1011 0.816,1012 0.955,1013 0.981,1014 0.981,1015 5.007,1016 1.451,1017 5.796,1018 3.78,1019 4.443,1020 5.109,1021 3.027,1022 6.581,1023 4.374,1024 6.215,1025 1.348,1026 7.334,1027 3.193,1028 3.892,1029 4.796,1031 7.434,1032 3.786,1033 7.513,1034 1.127,1035 8.974,1036 3.112,1037 6.004,1038 7.347,1039 5.043,1040 10.536,1041 5.873,1042 8.853,1043 1,1044 10.677,1045 2.6,1046 6.33,1047 7.933,1049 12.263,1050 6.166,1051 10.226,1052 0.775,1053 12.422,1054 2.136,1055 7.856,1056 9.887,1057 7.187,1058 14.856,1059 7.673,1060 11.624,1061 0.47,1062 14.196,1063 1.809,1064 8.595,1065 10.918,1067 16.934,1068 8.384,1069 13.042,1070 0.264,1071 15.991,1072 1.123,1073 9.877,1074 12.61,1075 9.348,1076 19.354,1077 9.647,1078 3.099,1080 17.802,1081 0.431,1082 10.814,1083 13.87,1085 21.575,1086 10.559,1087 2.983,1088 10.339,1089 19.625,1091 11.993,1092 15.445,1093 11.511,1094 23.933,1095 11.719,1096 2.529,1097 9.959,1098 21.458,1099 4.514,1100 13.024,1101 16.821,1103 26.212,1104 12.725,1105 2.391,1106 7.261,1107 23.298,1108 3.946,1109 14.161,1110 18.345,1111 13.675,1112 28.547,1113 13.841,1114 2.009,1115 6.948,1116 25.144,1117 3.516,1118 15.236,1119 19.78,1121 30.851,1122 14.892,1123 1.796,1124 5.806,1125 26.995,1126 3.191,1127 16.357,1128 21.285,1129 15.838,1130 33.179,1131 15.992,1132 1.508,1133 5.113,1134 28.85,1135 2.665,1136 17.453,1137 22.75,1139 35.493,1140 17.063,1141 10198,1142 17078,1143 21.266,1144 33.455,1145 46.139,1146 49.301,1147 47.116,1148 45.573,1149 45.498,1150 63.743,1151 8.017,1152 127.22,1153 43.936,1154 5.353,1155 6.574,1156 6.344,1157 5.207,1158 5.099,1159 7.514,1160 5.9,1161 17.118,1162 5.022,1163 10.021,1164 1.488,1165 1.59,1166 1.52,1167 1.47,1168 1.468,1169 2.056,1170 0.259,1171 4.104,1172 1.417,1173 4.114,1174 4.149,1175 4.161,1176 4.04,1177 7.429,1178 4.035,1179 3.914,1180 3.935,1181 3.946,1182 3.861,1183 5.09,1184 3.851,1185 3.863,1186 3.903,1187 3.805,1188 3.767,1189 4.896,1190 3.77,1191 3.473,1192 3.541,1193 3.551,1194 3.386,1195 4.699,1196 3.366,1197 3.449,1198 3.502,1199 3.342,1200 3.201,1201 4.362,1202 3.226,1203 3.18,1204 3.244,1205 3.169,1206 3.071,1207 4.18,1208 3.044,1209 2.988,1210 3.043,1211 2.982,1212 2.85,1213 4.151,1214 2.82,1215 2.919,1216 2.964,1217 2.789,1218 2.789,1219 3.826,1220 2.775,1221 0.147,1222 0.148,1223 0.211,1224 0.131,1225 0.1,1226 4.558,1227 0.146,1228 4.574,1229 0.095,1230 6.542,1231 0.334,1232 4.073,1233 0.097,1234 3.099,1235 4.514,1236 2.95,1237 10.339,1238 3.022,1239 1.957,1240 1.944,1241 2.015,1242 2.012,1243 1.18,1244 2.024,1245 1.883,1246 1.86,1247 1.98,1248 1.978,1249 1.081,1250 1.983,1251 1.831,1252 1.798,1253 1.936,1254 1.928,1255 0.976,1256 1.933,1257 1.509,1258 1.46,1259 1.681,1260 1.735,1261 0.691,1262 1.705,1263 1.385,1264 1.307,1265 1.646,1266 1.679,1267 0.679,1268 1.683,1269 1.107,1270 1.035,1271 1.297,1272 1.345,1273 0.324,1274 1.347,1275 0.986,1276 0.963,1277 1.196,1278 1.196,1279 0.241,1280 1.196,1281 0.95,1282 0.898,1283 1.109,1284 1.042,1285 0.222,1286 1.089,1287 4.143,1289 5.442,1290 2.398,1291 6.942,1292 4.727,1293 8.53,1294 6.823,1295 10.163,1297 1.638,1305 2.686,1307 1.55,1314 31.675,1315 72.918,1316 162.004,1317 207.355,1318 242.574,1319 249.329,1320 249.329,1321 38.591,1322 7.731,1323 70.67,1324 95.97,1325 23,1326 12.474,1327 4.644,1328 3.807,1329 42.629,1330 124,1331 118,1332 0.172,1333 199.404,1334 335.74,1335 478.306,1336 26432,1338 19.347,1339 0.691,1340 0.573,1341 19.7,1342 16.033,1343 13.742,1344 0.443,1345 0.31,1346 8.792,1347 12.917,1348 8.494,1349 7.093,1350 14.15,1351 9.623,1352 11.851,1353 0.282,1354 0.171,1355 12.52,1356 7.197,1357 10.313,1358 0.184,1359 0.095,1360 11.07,1361 5.317,1362 8.487,1363 0.118,1364 0.053,1365 9.367,1366 3.829,1367 6.761,1368 0.078,1369 0.031,1370 7.657,1371 2.697,1372 0.274,1373 89.029,1374 0.217,1375 27.141,1376 0.457,1377 146,1378 406.552,1379 180.387,1380 425.706,1381 591.47,1382 400,1383 171,1384 426.704,1385 201.784,1386 452.166,1387 657.62,1388 427,1389 5.658}
{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 4,237 1,238 5,241 1,243 5,246 8,250 2,255 2,258 4,264 4,267 1,269 2,272 2,276 1830,277 20.806,278 20.806,279 20.806,280 20.806,281 20.806,282 18.374,283 27.261,284 12.092,285 21.506,286 16.717,287 16.717,288 16.717,289 16.717,290 16.717,291 12.942,292 35.352,293 5.698,294 17.916,295 3.62,296 1.75,297 1.1,298 0.506,299 0.406,300 0.365,301 4.178,302 1,305 1,306 1,307 952,308 4.416,312 372.995,319 2.451,320 58.279,323 1,324 0.83,325 1,326 0.4,328 1,329 1,330 0.75,331 73.833,332 457,333 4.547,334 4.475,335 7.24,336 4.244,337 3.377,338 4.049,339 3.825,340 12.181,341 2.944,342 4.229,343 3.563,344 6.062,345 3.837,346 2.866,347 3.823,348 1.656,349 8.764,350 2.785,351 4.066,352 3.555,353 5.644,354 3.683,355 2.72,356 3.635,357 1.058,358 7.822,359 2.609,360 3.875,361 3.063,362 5.565,363 3.519,364 2.58,365 3.161,366 0.86,367 7.541,368 2.405,369 3.704,370 2.994,371 5.413,372 3.332,373 2.4,374 3.009,375 0.247,376 7.063,377 2.229,378 3.547,379 2.575,380 5.211,381 3.124,382 2.195,383 2.804,385 6.337,386 2.036,387 3.361,388 2.395,389 4.965,390 2.936,391 2.011,392 2.613,394 5.825,395 1.806,396 3.175,397 2.246,398 4.578,399 2.71,400 1.738,401 2.359,403 4.786,404 1.597,405 2.847,406 1.789,407 4.063,408 2.351,409 1.412,410 1.947,412 3.427,413 1.315,414 2.583,415 1.433,416 4.032,417 2.114,418 1.154,419 1.616,421 3.137,422 1.089,423 2.568,424 1.187,425 3.473,426 2.075,427 1.102,428 1.566,430 2.48,431 1.069,432 2.5,433 1.086,434 3.414,435 2,436 1,437 1.5,439 2.275,440 1,441 1.544,442 1,443 3.068,444 1.223,445 0.316,446 0.37,448 0.808,449 0.276,450 1.471,451 0.86,452 2.898,453 1.174,454 0.188,455 0.223,457 0.331,458 0.183,459 1.444,460 0.704,461 2.828,462 1.024,463 0.136,464 0.167,466 0.249,467 0.108,468 14.671,469 0.458,470 1.021,471 0.032,472 43.5,473 1.359,474 22.5,475 0.703,476 21,477 0.656,478 23.394,479 0.731,480 35.129,481 0.732,482 38.162,483 1.193,484 9.153,485 0.286,486 5.998,487 0.187,488 0.187,489 0.034,490 0.307,493 3,496 0.672,497 1.018,498 0.554,499 0.944,500 0.612,501 0.824,502 0.517,503 0.801,504 0.611,505 0.927,506 0.43,507 0.908,508 0.935,509 0.909,510 0.936,511 0.987,512 0.751,513 0.982,514 1.088,515 1.107,516 1.071,517 1.179,518 1.047,519 1.061,520 0.873,521 0.815,522 0.804,523 0.914,524 1.013,525 1.01,526 1.047,527 0.881,528 0.996,529 0.952,530 1.056,531 1.054,532 0.365,533 0.644,534 0.656,535 0.919,536 0.347,537 1.007,538 0.884,539 0.873,540 0.969,541 0.973,542 0.846,543 1.059,544 9,545 0.178,546 3.556,547 2.563,548 1.716,549 0.979,550 0.891,551 0.307,552 0.411,553 0.279,554 15376,555 65351,556 1.968,557 33.3,559 12,561 1,562 3,567 1.738,568 1.803,569 3.763,570 0.946,572 1,577 94.33,578 1.965,579 3.835,580 4.485,581 5.079,582 5.179,583 5.22,584 3.254,585 4.563,586 4.974,587 4.01,588 1989.05,589 8.658,590 31334,595 268.078,596 1.663,597 4.899,598 0.265,599 0.007,600 0.074,601 0.053,602 0.038,603 0.024,604 0.026,605 0.009,606 0.014,607 0.01,608 0.521,609 0.33,610 0.88,611 1.042,612 172.898,613 -0.085,614 -0.089,615 -0.005,616 -0.02,617 -0.105,618 0.022,619 0.329,620 0.244,621 0.097,622 0.014,623 0.36,624 -0.038,625 -0.142,626 -0.113,627 -0.055,628 -0.044,629 -0.061,630 -0.038,631 -0.065,632 -0.162,633 0.01,634 -0.189,635 -0.046,636 -0.097,637 0.026,638 0.089,639 -0.036,640 -0.003,641 -0.075,642 -0.064,643 -0.179,644 -0.018,645 -0.109,646 0.022,647 -0.185,648 -0.009,649 0.46,650 0.153,651 0.226,652 0.031,653 0.427,654 0.014,655 -0.126,656 -0.039,657 -0.089,658 -0.011,659 -0.106,660 -0.021,661 5.892,662 5.121,663 0.563,664 37.637,665 1.048,666 1.144,667 2.279,668 5.192,669 0.691,670 3.555,671 3.892,672 4.06,673 4.263,674 4.431,675 4.394,676 4.533,677 4.489,678 4.554,679 4.605,680 8.626,681 0.696,682 464.86,683 3.555,684 5.106,685 5.927,686 6.801,687 7.638,688 8.511,689 9.353,690 10.224,691 11.071,692 11.94,693 8.3,700 3,703 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 4,797 1,798 3,809 1,816 3,843 3,847 1,848 1,849 3,851 32,860 3,861 1,865 1,873 4,874 6.3,877 2,879 1,881 17.75,882 8.855,883 6.972,884 2.537,886 3.315,887 1.441,888 0.976,889 7.36,890 10.836,891 3.829,892 4.413,893 4.896,894 5.413,895 5.919,896 5.977,897 6.322,898 6.484,899 6.755,900 7.102,901 1,902 48,903 12.345,905 5.799,906 8.449,907 20.963,909 16.414,911 2.949,912 94.361,916 153.024,917 144.913,918 70.818,919 39.149,920 61.29,921 44.88,923 144.913,924 253.463,925 115.698,926 8.396,927 54.032,928 85.286,929 83.551,930 90.371,931 4.276,932 141.253,933 46.908,934 153.024,935 215.731,936 106.17,937 39.149,939 153.024,940 106.17,943 73.596,944 125.35,945 55.934,947 197.905,948 132.108,949 184.062,952 160.784,953 34.424,954 102.73,955 54.032,956 162.104,957 153.024,958 176.988,959 184.062,961 0.589,962 0.327,963 0.166,964 0.088,965 21,966 11,967 0.1,968 5,970 1,971 4.301,972 271.251,974 18,975 151.245,981 23.544,982 10.003,983 6.443,985 176.988,986 13.766,987 3.94,991 -0.192,993 54.032,994 514.074,995 45,1000 23.764,1004 -1.095,1007 50.32,1008 54.906,1009 0.352,1010 0.687,1011 0.803,1012 0.909,1013 0.927,1014 0.935,1015 5.072,1016 1.738,1017 5.953,1018 5.825,1019 4.575,1020 5.1,1021 3.38,1022 6.765,1023 4.44,1024 6.3,1025 1.412,1026 7.526,1027 4.786,1028 4.369,1029 4.966,1030 3.949,1031 7.861,1032 4.067,1033 7.618,1034 1.154,1035 9.204,1036 3.427,1037 6.225,1038 7.25,1039 5.479,1040 10.845,1041 5.94,1042 8.965,1043 1.102,1044 10.948,1045 3.137,1046 6.77,1047 7.816,1048 6.701,1049 12.764,1050 6.297,1051 10.339,1052 1,1053 12.737,1054 2.48,1055 8.176,1056 9.65,1057 8.067,1058 15.376,1059 7.698,1060 11.73,1061 0.316,1062 14.559,1063 2.275,1064 9.059,1065 10.553,1066 9.391,1067 17.645,1068 8.396,1069 13.137,1070 0.188,1071 16.409,1072 0.808,1073 10.306,1074 12.182,1075 10.736,1076 20.162,1077 9.597,1078 3.377,1079 0.136,1080 18.281,1081 0.331,1082 11.352,1083 13.275,1084 12.075,1085 22.573,1086 10.466,1087 2.866,1088 12.181,1089 20.173,1090 0.249,1091 12.548,1092 14.794,1093 13.417,1094 25.07,1095 11.579,1096 2.72,1097 8.764,1098 22.08,1099 4.049,1100 13.671,1101 15.999,1102 14.758,1103 27.535,1104 12.536,1105 2.58,1106 7.822,1107 24.001,1108 3.823,1109 14.857,1110 17.455,1111 16.1,1112 30.03,1113 13.611,1114 2.4,1115 7.541,1116 25.933,1117 3.635,1118 16.02,1119 18.729,1120 17.441,1121 32.516,1122 14.614,1123 2.195,1124 7.063,1125 27.875,1126 3.161,1127 17.21,1128 20.15,1129 18.783,1130 35.013,1131 15.673,1132 2.011,1133 6.337,1134 29.823,1135 3.009,1136 18.393,1137 21.465,1138 20.124,1139 37.507,1140 16.701,1141 15123,1142 31467,1143 21.671,1144 33.148,1145 51.216,1146 52.199,1147 52.202,1148 50.72,1149 50.392,1150 65.683,1151 15.294,1152 146.047,1153 46.9,1154 5.419,1155 6.475,1156 6.794,1157 5.319,1158 5.377,1159 7.049,1160 5.335,1161 19.593,1162 4.944,1163 20.629,1164 1.506,1165 1.535,1166 1.535,1167 1.492,1168 1.482,1169 1.932,1170 0.45,1171 4.296,1172 1.379,1173 3.988,1174 4.014,1175 4.047,1176 3.891,1177 8.513,1178 3.896,1179 3.924,1180 3.946,1181 3.912,1182 3.836,1183 7.999,1184 3.842,1185 3.837,1186 3.871,1187 3.792,1188 3.731,1189 7.999,1190 3.741,1191 3.482,1192 3.542,1193 3.491,1194 3.207,1195 7.432,1196 3.245,1197 3.442,1198 3.496,1199 3.387,1200 3.162,1201 7.428,1202 3.209,1203 3.276,1204 3.319,1205 3.356,1206 2.98,1207 4.97,1208 3.031,1209 3.003,1210 3.05,1211 3.172,1212 2.805,1213 4.902,1214 2.81,1215 2.947,1216 2.997,1217 2.861,1218 2.786,1219 4.739,1220 2.774,1221 0.134,1222 0.132,1223 0.213,1224 0.125,1225 0.099,1226 4.547,1227 0.119,1228 4.475,1229 0.113,1230 7.24,1231 0.358,1232 4.244,1233 0.087,1234 3.377,1235 4.049,1236 3.825,1237 12.181,1238 2.944,1239 1.911,1240 1.889,1241 1.999,1242 2.036,1243 1.099,1244 2.023,1245 1.886,1246 1.867,1247 1.957,1248 1.995,1249 1.065,1250 1.985,1251 1.8,1252 1.77,1253 1.896,1254 1.931,1255 0.937,1256 1.924,1257 1.382,1258 1.309,1259 1.674,1260 1.68,1261 0.677,1262 1.678,1263 1.278,1264 1.237,1265 1.373,1266 1.597,1267 0.329,1268 1.533,1269 1.076,1270 1.038,1271 1.205,1272 1.406,1273 0.258,1274 1.321,1275 0.961,1276 0.904,1277 1.196,1278 1.199,1279 0.238,1280 1.194,1281 0.887,1282 0.845,1283 1.181,1284 1.11,1285 0.218,1286 1.107,1287 4.234,1289 5.565,1291 7.072,1293 8.658,1295 10.285,1297 1.488,1298 5.568,1299 38.817,1305 7.288,1306 5.658,1310 -4.642,1314 33.422,1315 94.33,1316 184.065,1317 215.284,1318 243.814,1319 248.568,1320 250.568,1321 91.208,1322 7.521,1323 92.35,1324 92.35,1325 18,1326 12.488,1327 4.392,1328 3.585,1329 61.745,1330 169,1331 152,1332 0.177,1333 208.921,1334 376.83,1335 501.528,1336 20990,1337 8.3,1338 23.303,1339 0.728,1340 0.538,1341 21.303,1342 17.213,1343 15.151,1344 0.446,1345 0.278,1346 8.887,1347 14.02,1348 8.726,1349 7.21,1350 14.229,1351 9.441,1352 14.506,1353 0.302,1354 0.141,1355 12.882,1356 6.761,1357 10.793,1358 0.189,1359 0.077,1360 10.512,1361 4.398,1362 8.636,1363 0.123,1364 0.04,1365 7.83,1366 2.808,1367 6.703,1368 0.081,1369 0.021,1370 6.322,1371 1.759,1372 0.289,1373 100.132,1374 0.215,1375 30.681,1376 0.452,1377 164,1378 766.387,1379 212.555,1380 681.716,1381 873.99,1382 628,1383 187,1384 586.788,1385 223.738,1386 579.809,1387 860.84,1388 543,1389 5.1}
{0 CHEMBL1375418,1 1.411,2 10.75,3 4.302,4 18.507,5 98.445,6 7.693,7 0.815,8 3.828,9 3.956,10 3.445,11 3.417,12 4.958,13 3.397,14 4.304,15 4.471,16 3.778,17 3.779,18 5.374,19 3.741,20 4.504,21 4.712,22 3.769,23 3.843,24 5.533,25 3.773,26 4.535,27 4.789,28 3.611,29 3.728,30 5.482,31 3.645,32 4.399,33 4.66,34 3.545,35 3.614,36 5.356,37 3.546,38 4.229,39 4.433,40 3.469,41 3.587,42 5.251,43 3.518,44 4.276,45 4.522,46 3.322,47 3.542,48 5.209,49 3.444,50 4.15,51 4.392,52 3.216,53 3.45,54 5.046,55 3.336,56 0.073,57 0.649,58 7.695,59 3.368,60 8.189,61 4.444,62 0.127,63 1.02,64 13.566,65 5.519,66 12.391,67 7.489,68 0.172,69 1.197,70 18.053,71 6.821,72 23.087,73 9.501,74 0.193,75 1.191,76 20.526,77 6.565,78 26.555,79 9.446,80 0.237,81 1.044,82 18.259,83 5.746,84 23.966,85 8.284,86 0.115,87 0.905,88 13.583,89 4.832,90 17.544,91 6.676,92 0.173,93 0.909,94 15.548,95 5.174,96 20.627,97 7.303,98 0.085,99 0.773,100 13.599,101 5.327,102 14.321,103 7.555,104 2,105 37,106 0.244,107 0.54,108 0.675,109 0.802,110 0.831,111 0.831,112 3.228,113 0.874,114 -6.43,115 -6.26,116 -5.81,119 46.3,120 1,125 1,142 11,143 3,147 1,161 2,166 2,172 14,174 2,175 5,178 1,180 2,183 14,187 2,188 10,191 1,193 3,196 8,200 10,205 2,208 3,213 9,216 2,218 2,221 6,225 6,230 3,233 8,238 5,243 2,246 7,250 6,255 1,258 7,264 5,272 9,276 782,277 16.654,278 16.654,279 16.654,280 16.654,281 16.654,282 14.06,283 12.138,284 9.974,285 16.881,286 13.358,287 13.358,288 13.358,289 13.358,290 13.358,291 9.548,292 17.319,293 4.791,294 13.745,295 3.947,296 2.237,297 1.453,298 0.72,299 0.555,300 0.555,301 3.932,305 1,306 1,307 572,308 2.345,311 52.882,312 209.18,315 94.217,319 1.625,320 10.966,322 1,323 0.75,324 0.83,325 0.83,326 0.5,328 0.83,329 1,330 0.68,331 50.5,332 258,333 4.609,334 3.177,335 6.718,336 4.115,337 3.169,338 4.554,339 0.657,340 10.943,341 2.998,342 4.021,343 2.848,344 5.768,345 3.631,346 2.643,347 3.617,349 7.868,350 2.617,351 3.95,352 2.603,353 5.437,354 3.517,355 2.538,356 3.535,358 7.207,359 2.478,360 3.633,361 2.413,362 5.226,363 3.217,364 2.261,365 3.051,367 6.575,368 2.162,369 3.396,370 2.24,371 4.877,372 3.032,373 2.045,374 2.691,376 5.657,377 2.01,378 3.219,379 1.743,380 4.635,381 2.714,382 1.741,383 2.556,385 4.649,386 1.69,387 2.82,388 1.346,389 4.042,390 2.322,391 1.34,392 1.97,394 3.367,395 1.314,396 2.576,397 1.15,398 3.504,399 2.067,400 1.1,401 1.612,403 2.619,404 1.061,405 2.5,406 1,407 3.414,408 2,409 1,410 1.5,412 2.275,413 1,414 2.5,415 1,416 3.293,417 2,418 1,419 1.5,421 2.136,422 1,423 2.116,424 0.957,425 3.247,426 1.733,427 0.782,428 0.988,430 1.854,431 0.742,432 1.844,433 0.566,434 3.144,435 1.464,436 0.505,437 0.678,439 1.242,440 0.483,441 1.169,442 0.161,443 2.507,444 0.862,445 -0.121,446 -0.147,448 -0.273,449 -0.118,450 0.862,451 -0.365,452 2.366,453 0.477,454 -0.504,455 -0.652,457 -1.191,458 -0.494,459 0.691,460 -0.672,461 2.124,462 0.219,463 -0.751,464 -1.014,466 -1.865,467 -0.725,468 11.5,469 0.479,470 0.465,471 0.019,472 35.75,473 1.49,474 20.5,475 0.854,476 15.25,477 0.635,478 14.893,479 0.621,480 23.9,481 0.583,482 23.535,483 0.981,484 7.252,485 0.302,486 4.541,487 0.189,488 0.043,490 0.296,496 0.692,497 1.065,498 0.738,499 0.94,500 0.793,501 0.863,502 0.753,503 1.151,504 0.824,505 1.035,506 0.762,507 0.956,508 0.89,509 1.203,510 0.983,511 1.14,512 0.896,513 1.085,514 1.424,515 1.152,516 1.044,517 0.971,518 1.195,519 0.963,520 1.311,521 0.856,522 0.888,523 0.72,524 0.965,525 0.746,526 1.372,527 1.174,528 1.137,529 1.075,530 1.272,531 1.077,532 1.486,533 0.886,534 1.173,535 0.9,536 1.389,537 0.98,538 0.78,539 1.014,540 0.945,541 1.042,542 0.709,543 1.019,544 4,545 0.067,546 2.444,547 0.944,548 1.072,549 0.525,550 0.256,551 0.266,552 0.189,553 0.091,554 7092,555 16664,556 2.187,557 41.5,558 3,559 13,562 1,567 1.666,568 2.118,569 3.403,570 -0.342,572 1,577 57.853,578 1.411,579 3.121,580 3.905,581 4.638,582 4.803,583 4.803,584 2.892,585 3.772,586 4.555,587 3.529,588 973.943,589 7.846,590 11541.2,592 1,594 1,595 219.66,596 1.099,597 4.546,598 0.148,599 0.005,600 0.066,601 0.027,602 0.037,603 0.019,604 0.01,605 0.012,606 0.009,607 0.005,608 0.338,609 0.33,610 0.88,611 0.382,612 114.92,613 0.238,614 0.045,615 0.073,616 -0.002,617 0.015,618 0.012,619 0.239,620 -0.083,621 0.05,622 -0.093,623 0.092,624 -0.054,625 0.16,626 -0.18,627 -0.044,628 -0.194,629 0.095,630 -0.153,631 -0.167,632 -0.144,633 -0.023,634 -0.04,635 -0.085,636 -0.019,637 -0.006,638 0.162,639 0.149,640 0.211,641 0.171,642 0.201,643 -0.248,644 -0.124,645 -0.206,646 -0.145,647 -0.186,648 -0.166,649 -0.325,650 0.125,651 -0.18,652 0.044,653 -0.344,654 -0.032,655 0.003,656 -0.093,657 0.032,658 -0.029,659 0.12,660 -0.001,661 0.935,662 1.625,663 0.875,664 21.382,665 0.995,666 1.122,667 5.198,668 27.02,669 0.697,670 3.332,671 3.638,672 3.912,673 4.174,674 4.419,675 4.443,676 4.554,677 4.71,678 4.754,679 4.82,680 6.204,681 0.665,682 315.41,683 3.332,684 4.86,685 5.707,686 6.575,687 7.441,688 8.317,689 9.192,690 10.072,691 10.952,692 11.836,693 12.2,698 1,701 1,703 3,708 1,709 11,710 3,714 5,716 22,728 1,735 41,737 22,738 2,739 27,741 44,742 19,743 17,744 3,745 9,748 4,749 5,754 1,762 17,763 2,780 1,783 17,784 4,785 1,786 5,792 5,797 0.75,808 1,815 1,816 3,819 1,843 3,847 1,851 24,858 1,860 1,871 1,881 11.333,882 7.717,883 5.25,884 2.399,886 4.014,887 1.542,888 1.035,889 3.875,890 11.418,891 3.664,892 4.307,893 4.939,894 5.563,895 6.134,896 6.406,897 6.84,898 7.306,899 7.583,900 7.96,901 1,902 35,903 8.799,905 3.689,906 7.542,907 17.021,909 13.847,911 2.042,912 49,915 1,916 188.338,917 131.098,918 69.164,923 131.098,924 188.338,925 69.164,926 8.825,927 2.106,928 104.239,929 72.043,930 10.721,931 2.328,932 188.338,934 188.338,935 200.261,939 188.338,943 16.138,944 116.123,945 68,947 188.338,948 69.164,949 131.098,952 188.338,953 18.034,954 114.228,955 18.011,956 49.989,957 188.338,958 69.164,959 131.098,961 0.576,962 0.332,963 0.18,964 0.103,965 19,966 7,967 0.091,968 4,969 1,970 1.095,971 3.78,972 195.599,973 0.095,974 21,975 102.039,981 14.705,982 6.324,983 3.118,984 0.731,985 68,986 22.262,987 13.069,991 5.002,993 18.011,994 388.599,995 38,1007 40.811,1008 45.983,1009 0.263,1010 0.582,1011 0.729,1012 0.866,1013 0.896,1014 0.896,1015 4.864,1016 1.1,1017 5.666,1018 3.367,1019 4.317,1020 4.994,1021 0.623,1022 6.444,1023 4.258,1024 6.074,1025 1,1026 7.197,1027 2.619,1028 3.761,1029 4.691,1031 7.273,1032 3.649,1033 7.373,1034 1,1035 8.827,1036 2.275,1037 5.872,1038 7.247,1039 0.317,1040 10.38,1041 5.741,1042 8.712,1043 0.782,1044 10.52,1045 2.136,1046 6.176,1047 7.831,1049 12.112,1050 5.973,1051 10.085,1052 0.505,1053 12.256,1054 1.854,1055 7.712,1056 9.799,1057 0.149,1058 14.73,1059 7.493,1060 11.482,1061 -0.121,1062 14.023,1063 1.242,1064 8.432,1065 10.83,1067 16.846,1068 8.133,1069 12.9,1070 -0.504,1071 15.814,1072 -0.273,1073 9.726,1074 12.537,1075 0.067,1076 19.31,1077 9.402,1078 3.169,1079 -0.751,1080 17.624,1081 -1.191,1082 10.659,1083 13.806,1085 21.589,1086 10.254,1087 2.643,1088 10.943,1089 19.45,1090 -1.865,1091 11.851,1092 15.397,1093 0.03,1094 24.003,1095 11.41,1096 2.538,1097 7.868,1098 21.289,1099 4.554,1100 12.891,1101 16.789,1103 26.348,1104 12.374,1105 2.261,1106 7.207,1107 23.139,1108 3.617,1109 14.046,1110 18.33,1111 0.013,1112 28.747,1113 13.481,1114 2.045,1115 6.575,1116 24.998,1117 3.535,1118 15.138,1119 19.784,1121 31.12,1122 14.503,1123 1.741,1124 5.657,1125 26.864,1126 3.051,1127 16.282,1128 21.305,1129 0.006,1130 33.514,1131 15.592,1132 1.34,1133 4.649,1134 28.737,1135 2.691,1136 17.402,1137 22.789,1139 35.898,1140 16.644,1141 6617,1142 10312,1143 18.781,1144 28.597,1145 40.589,1146 40.326,1147 40.832,1148 40.245,1149 40.246,1150 56.504,1151 1.315,1152 112.784,1153 39.112,1154 5.432,1155 5.177,1156 6.52,1157 5.164,1158 5.169,1159 7.554,1160 1.315,1161 18.07,1162 4.998,1163 6.588,1164 1.503,1165 1.494,1166 1.512,1167 1.491,1168 1.491,1169 2.093,1170 0.049,1171 4.177,1172 1.449,1173 4.114,1174 4.172,1175 4.094,1176 3.947,1177 5.218,1178 3.969,1179 3.929,1180 3.962,1181 3.859,1182 3.868,1183 4.75,1184 3.863,1185 3.821,1186 3.859,1187 3.753,1188 3.723,1189 4.72,1190 3.731,1191 3.436,1192 3.513,1193 3.35,1194 3.243,1195 4.532,1196 3.256,1197 3.216,1198 3.283,1199 3.091,1200 3.08,1201 3.999,1202 3.079,1203 2.979,1204 3.07,1205 2.834,1206 2.787,1207 3.921,1208 2.787,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.695,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.674,1220 2.715,1221 0.171,1222 0.118,1223 0.249,1224 0.152,1225 0.117,1226 4.609,1227 0.169,1228 3.177,1229 0.024,1230 6.718,1231 0.405,1232 4.115,1233 0.111,1234 3.169,1235 4.554,1236 0.657,1237 10.943,1238 2.998,1239 1.945,1240 1.913,1241 2.064,1242 2.088,1243 1.195,1244 2.067,1245 1.918,1246 1.888,1247 2.026,1248 2.006,1249 1.106,1250 2.019,1251 1.79,1252 1.746,1253 1.885,1254 1.93,1255 0.942,1256 1.931,1257 1.356,1258 1.286,1259 1.625,1260 1.573,1261 0.779,1262 1.591,1263 1.191,1264 1.134,1265 1.362,1266 1.447,1267 0.453,1268 1.396,1269 1.039,1270 0.952,1271 1.287,1272 1.303,1273 0.36,1274 1.33,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.007,1289 5.313,1290 2.398,1291 6.817,1292 4.727,1293 8.406,1294 6.843,1295 10.041,1297 2.087,1303 0.724,1305 3.354,1314 27.268,1315 57.853,1316 127.942,1317 160.096,1318 190.15,1319 196.905,1320 196.905,1321 24.957,1322 7.404,1323 55.11,1324 55.11,1325 23,1326 12.371,1327 4.524,1328 3.585,1329 33.99,1330 90,1331 94,1332 0.186,1333 168.149,1334 272.82,1335 402.043,1336 16895,1338 16.355,1339 0.681,1340 0.556,1341 16.355,1342 13.347,1343 11.793,1344 0.437,1345 0.291,1346 7.784,1347 11.453,1348 7.575,1349 6.34,1350 11.793,1351 7.868,1352 10.446,1353 0.282,1354 0.155,1355 10.446,1356 5.717,1357 8.951,1358 0.183,1359 0.079,1360 8.951,1361 3.889,1362 7.361,1363 0.115,1364 0.04,1365 7.361,1366 2.549,1367 6.236,1368 0.076,1369 0.022,1370 6.236,1371 1.795,1372 0.294,1373 73.065,1374 0.231,1375 23.639,1376 0.504,1377 128,1378 332.913,1379 138.13,1380 335.123,1381 477.9,1382 316,1383 150,1384 377.023,1385 162.156,1386 383.059,1387 556.8,1388 361,1389 5.1}
{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 1,238 1,246 2,249 1,250 1,252 1,253 1,258 4,264 3,272 4,276 620,277 14.792,278 14.792,279 14.792,280 14.792,281 14.792,282 12.629,283 13.497,284 8.785,285 15.423,286 11.849,287 11.849,288 11.849,289 11.849,290 11.849,291 8.696,292 14.329,293 4.189,294 13,295 3.277,296 1.3,297 0.639,298 0.307,299 0.25,300 0.25,301 3.826,302 1,304 1,305 1,306 1,307 447,308 2.345,311 60.645,312 150.66,319 1.545,320 18.854,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 47.333,332 209,333 4.447,334 3.273,335 6.506,336 3.998,337 3.078,338 4.151,339 1.151,340 10.196,341 2.83,342 4.161,343 3.145,344 6.023,345 3.703,346 2.796,347 3.774,349 8.558,350 2.501,351 3.919,352 2.673,353 5.449,354 3.418,355 2.509,356 3.503,358 7.198,359 2.274,360 3.418,361 2.424,362 5.052,363 3.016,364 2.107,365 2.694,367 5.982,368 1.898,369 3.065,370 2.051,371 4.68,372 2.672,373 1.734,374 2.243,376 4.789,377 1.617,378 2.901,379 1.892,380 4.197,381 2.438,382 1.499,383 2.072,385 3.857,386 1.41,387 2.841,388 1.548,389 3.868,390 2.338,391 1.414,392 1.972,394 2.983,395 1.228,396 2.683,397 1.261,398 3.604,399 2.16,400 1.222,401 1.765,403 2.848,404 1.14,405 2.336,406 1.031,407 3.467,408 1.713,409 0.873,410 1.261,412 2.358,413 0.719,414 1.845,415 0.84,416 3.16,417 1.487,418 0.614,419 0.736,421 1.443,422 0.525,423 1.087,424 0.419,425 2.538,426 0.66,427 -0.165,428 -0.196,430 -0.366,431 -0.114,432 0.954,433 -0.219,434 2.393,435 0.532,436 -0.391,437 -0.498,439 -0.876,440 -0.361,441 0.76,442 -0.248,443 2,444 0.368,445 -0.543,446 -0.66,448 -1.397,449 -0.49,450 0.66,451 -0.384,452 2,453 0.202,454 -0.71,455 -0.89,457 -1.77,458 -0.596,459 0.469,460 -0.722,461 1.764,462 0.049,463 -0.897,464 -1.193,466 -2.262,467 -0.823,468 10.981,469 0.499,470 0.541,471 0.025,472 31.5,473 1.432,474 17,475 0.773,476 14.5,477 0.659,478 15.925,479 0.724,480 22.619,481 0.646,482 19.411,483 0.882,484 6.147,485 0.279,486 4.484,487 0.204,488 0.147,490 0.319,496 0.87,497 1.149,498 0.606,499 0.803,500 0.994,501 0.772,502 0.939,503 0.972,504 0.678,505 0.822,506 0.677,507 0.771,508 1.195,509 0.973,510 1.108,511 1.074,512 1.04,513 0.92,514 1.176,515 1.247,516 1.425,517 1.447,518 1.019,519 1.291,520 1.084,521 1.206,522 1.219,523 1.238,524 1.143,525 1.172,526 0.881,527 0.907,528 0.853,529 0.96,530 0.726,531 0.885,532 1.174,533 0.906,534 0.989,535 0.926,536 1.236,537 0.981,538 0.81,539 0.762,540 0.785,541 0.769,542 0.844,543 0.922,544 4.5,545 0.083,546 2.444,547 1.569,548 1.099,549 0.57,550 0.31,551 0.315,552 0.147,553 0.084,554 5193,555 17262,556 2.07,557 37.1,559 7,561 1,562 2,563 3,567 1.642,568 1.941,569 3.243,570 0.393,572 1,574 1,577 64.816,578 1.852,579 3.83,580 4.49,581 4.822,582 4.879,583 4.879,584 2.704,585 4.459,586 4.433,587 3.403,588 785.996,589 7.598,590 8790.84,591 1,592 1,593 1,594 1,595 179.525,596 1.395,597 4.392,598 0.188,599 0.007,600 0.074,601 0.051,602 0.042,603 0.024,604 0.013,605 0.018,606 0.009,607 0.006,608 0.431,609 0.33,610 1,611 0.595,612 102.018,613 -0.109,614 -0.076,615 0.022,616 0.033,617 -0.221,618 0.032,619 0.05,620 0.067,621 0.127,622 0.114,623 0.14,624 0.105,625 -0.011,626 0.088,627 -0.057,628 -0.04,629 -0.059,630 -0.022,631 -0.169,632 -0.249,633 -0.303,634 -0.322,635 -0.116,636 -0.331,637 -0.16,638 -0.216,639 -0.165,640 -0.204,641 -0.216,642 -0.203,643 0.161,644 0.084,645 0.189,646 0.138,647 0.233,648 0.146,649 -0.223,650 0.086,651 -0.089,652 0.033,653 -0.249,654 -0.008,655 0.143,656 0.151,657 0.031,658 0.106,659 0.118,660 0.069,661 1.417,662 2.209,663 0.773,664 17.545,665 1.016,666 1.118,667 2.328,668 5.422,669 0.737,670 3.219,671 3.526,672 3.761,673 3.989,674 4.127,675 4.094,676 4.143,677 4.263,678 4.277,679 4.248,680 5.802,681 0.699,682 332.84,683 3.219,684 4.745,685 5.58,686 6.444,687 7.295,688 8.163,689 9.021,690 9.891,691 10.752,692 11.624,693 11.4,697 1,703 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 4,797 1,798 1,810 1,815 1,816 2,843 3,845 1,847 1,848 1,851 22,852 1,858 1,861 1,868 1,873 1,874 2.9,879 1,881 11.333,882 6.66,883 4.833,884 1.901,886 3.018,887 1.447,888 0.997,889 4.549,890 9.774,891 3.512,892 4.131,893 4.69,894 5.242,895 5.664,896 5.77,897 6.08,898 6.454,899 6.723,900 6.957,901 1,902 31,903 8.044,905 3.335,906 7.755,907 15.187,909 12.032,911 2.255,912 49.611,916 129.482,917 119.569,918 83.254,919 39.149,920 11,922 31.278,923 88.291,924 179.631,925 83.254,926 8.825,927 4.592,928 80.278,929 63.057,930 34.305,931 3.257,932 148.989,933 39.149,934 129.482,935 171.545,936 11,937 70.426,939 129.482,940 11,943 30.807,944 90.381,945 89.505,946 31.278,947 129.482,948 94.254,949 158.717,952 129.482,953 54.315,954 65.254,956 133.402,957 129.482,958 94.254,959 158.717,961 0.58,962 0.335,963 0.177,964 0.092,965 16,966 7,967 0.108,968 4,970 1,971 3.493,972 166.912,974 17,975 98.107,977 1,981 15.192,982 6.588,983 3.561,985 94.254,986 10.81,987 12.635,990 1.521,991 4.951,993 32.897,994 382.453,995 32.5,1007 35.553,1008 39.143,1009 0.361,1010 0.747,1011 0.875,1012 0.94,1013 0.951,1014 0.951,1015 4.721,1016 1.222,1017 5.557,1018 2.983,1019 4.205,1020 4.816,1021 1.294,1022 6.333,1023 4.019,1024 5.933,1025 0.873,1026 7.096,1027 2.848,1028 3.761,1029 4.559,1031 7.154,1032 3.445,1033 7.234,1034 0.614,1035 8.733,1036 2.358,1037 5.765,1038 7.01,1039 1.506,1040 10.236,1041 5.404,1042 8.57,1043 -0.165,1044 10.429,1045 1.443,1046 6.133,1047 7.564,1049 11.901,1050 5.623,1051 9.936,1052 -0.391,1053 12.162,1054 -0.366,1055 7.609,1056 9.469,1057 1.731,1058 14.484,1059 7.068,1060 11.325,1061 -0.543,1062 13.921,1063 -0.876,1064 8.36,1065 10.42,1067 16.506,1068 7.675,1069 12.73,1070 -0.71,1071 15.7,1072 -1.397,1073 9.614,1074 12.073,1075 1.968,1076 18.912,1077 8.891,1078 3.078,1079 -0.897,1080 17.494,1081 -1.77,1082 10.547,1083 13.229,1085 21.092,1086 9.697,1087 2.796,1088 10.196,1089 19.3,1090 -2.262,1091 11.708,1092 14.757,1093 2.214,1094 23.433,1095 10.806,1096 2.509,1097 8.558,1098 21.115,1099 4.151,1100 12.729,1101 16.024,1103 25.684,1104 11.716,1105 2.107,1106 7.198,1107 22.937,1108 3.774,1109 13.853,1110 17.49,1111 2.468,1112 28.004,1113 12.777,1114 1.734,1115 5.982,1116 24.766,1117 3.503,1118 14.916,1119 18.817,1121 30.287,1122 13.741,1123 1.499,1124 4.789,1125 26.6,1126 2.694,1127 16.026,1128 20.252,1129 2.727,1130 32.602,1131 14.781,1132 1.414,1133 3.857,1134 28.439,1135 2.243,1136 17.112,1137 21.614,1139 34.902,1140 15.775,1141 5040,1142 9323,1143 16.008,1144 25.79,1145 36.146,1146 36.493,1147 37.014,1148 35.805,1149 35.69,1150 48.341,1151 2.302,1152 100.423,1153 32.286,1154 5.282,1155 5.273,1156 6.196,1157 5.139,1158 5.078,1159 7.151,1160 2.302,1161 16.988,1162 4.83,1163 10.066,1164 1.506,1165 1.521,1166 1.542,1167 1.492,1168 1.487,1169 2.014,1170 0.096,1171 4.184,1172 1.345,1173 3.978,1174 4.003,1175 4.261,1176 3.939,1177 5.234,1178 3.895,1179 3.878,1180 3.899,1181 3.992,1182 3.819,1183 4.998,1184 3.808,1185 3.685,1186 3.735,1187 3.721,1188 3.537,1189 4.81,1190 3.54,1191 3.236,1192 3.295,1193 3.297,1194 3.046,1195 4.567,1196 3.039,1197 3.036,1198 3.146,1199 3.094,1200 2.816,1201 4.401,1202 2.793,1203 2.911,1204 2.968,1205 2.952,1206 2.787,1207 4.256,1208 2.776,1209 2.877,1210 2.921,1211 2.867,1212 2.738,1213 3.906,1214 2.725,1215 2.735,1216 2.798,1217 2.637,1218 2.596,1219 3.675,1220 2.575,1221 0.185,1222 0.136,1223 0.271,1224 0.167,1225 0.128,1226 4.447,1227 0.173,1228 3.273,1229 0.048,1230 6.506,1231 0.425,1232 3.998,1233 0.118,1234 3.078,1235 4.151,1236 1.151,1237 10.196,1238 2.83,1239 1.867,1240 1.849,1241 1.96,1242 1.957,1243 1.045,1244 1.964,1245 1.793,1246 1.759,1247 1.863,1248 1.957,1249 0.959,1250 1.936,1251 1.484,1252 1.431,1253 1.695,1254 1.687,1255 0.811,1256 1.692,1257 1.39,1258 1.366,1259 1.526,1260 1.532,1261 0.684,1262 1.566,1263 0.97,1264 0.885,1265 1.261,1266 1.306,1267 0.196,1268 1.311,1269 0.873,1270 0.824,1271 1.126,1272 1.035,1273 0.178,1274 1.075,1275 0.855,1276 0.82,1277 0.955,1278 0.988,1279 0.068,1280 1.029,1281 0.759,1282 0.687,1283 0.94,1284 0.963,1286 0.973,1287 3.892,1289 5.198,1290 2.398,1291 6.691,1292 4.727,1293 8.265,1294 6.804,1295 9.879,1297 1.934,1298 6.067,1301 5.627,1303 0.357,1306 5.709,1314 24.449,1315 64.816,1316 134.041,1317 157.16,1318 168.77,1319 170.77,1320 170.77,1321 28.104,1322 6.756,1323 73.92,1324 102.16,1325 17,1326 12.168,1327 4.17,1328 3.248,1329 34.595,1330 77,1331 64,1332 0.222,1333 159.693,1334 263.67,1335 381.412,1336 7239,1337 2.9,1338 15.527,1339 0.706,1340 0.607,1341 16.38,1342 13.357,1343 10.631,1344 0.443,1345 0.323,1346 6.57,1347 9.545,1348 6.282,1349 5.211,1350 11.328,1351 7.752,1352 9.61,1353 0.291,1354 0.183,1355 10.623,1356 6.032,1357 7.859,1358 0.187,1359 0.105,1360 9.095,1361 4.401,1362 6.448,1363 0.122,1364 0.058,1365 7.574,1366 3.091,1367 4.86,1368 0.08,1369 0.032,1370 5.806,1371 1.956,1372 0.35,1373 73.512,1374 0.25,1375 21.872,1376 0.606,1377 114,1378 361.047,1379 166.263,1380 401.668,1381 542.91,1382 376,1383 132,1384 365.004,1385 179.224,1386 394.576,1387 577.12,1388 371,1389 5.1}
{0 CHEMBL1381197,1 1.564,2 10.75,3 4.48,4 20.072,5 98.209,6 8.837,7 0.815,8 3.771,9 3.887,10 3.497,11 3.387,12 4.941,13 3.373,14 4.235,15 4.379,16 3.858,17 3.753,18 5.376,19 3.721,20 4.452,21 4.651,22 3.851,23 3.807,24 5.536,25 3.741,26 4.419,27 4.651,28 3.657,29 3.66,30 5.438,31 3.595,32 4.297,33 4.537,34 3.592,35 3.565,36 5.318,37 3.513,38 4.199,39 4.396,40 3.54,41 3.564,42 5.276,43 3.498,44 4.157,45 4.368,46 3.385,47 3.505,48 5.165,49 3.415,50 4.07,51 4.293,52 3.363,53 3.411,54 5.062,55 3.306,56 0.072,57 0.598,58 5.458,59 2.871,60 6.357,61 3.517,62 0.122,63 0.936,64 9.951,65 4.766,66 10.306,67 5.918,68 0.224,69 1.099,70 18.06,71 6.527,72 24.382,73 8.315,74 0.249,75 1.066,76 18.909,77 5.885,78 25.816,79 7.35,80 0.252,81 0.966,82 15.282,83 5.149,84 22.094,85 6.617,86 0.21,87 0.844,88 14.321,89 4.716,90 21.264,91 5.799,92 0.172,93 0.805,94 12.83,95 4.632,96 17.991,97 5.762,98 0.14,99 0.695,100 12.562,101 4.865,102 16.207,103 6.481,104 2,105 37,106 0.274,107 0.551,108 0.686,109 0.825,110 0.838,111 0.838,112 3.228,113 0.882,114 -6.7,115 -6.51,116 -6.04,119 47.4,125 1,142 11,143 2,144 1,147 1,161 2,166 2,172 11,174 2,175 5,178 1,180 2,183 12,187 2,188 10,191 1,193 3,196 7,200 10,205 2,208 3,213 9,216 2,218 1,221 6,225 6,230 3,233 8,238 4,243 2,246 6,250 5,255 1,258 6,264 5,272 9,276 782,277 16.654,278 16.654,279 16.654,280 16.654,281 16.654,282 14.06,283 11.313,284 9.974,285 17.017,286 13.358,287 13.358,288 13.358,289 13.358,290 13.358,291 9.548,292 16.489,293 4.791,294 14.021,295 3.683,296 2.108,297 1.337,298 0.546,299 0.474,300 0.474,301 3.932,302 1,305 1,306 1,307 572,308 2.345,311 52.882,312 209.18,315 94.217,319 1.625,320 13.24,322 1,323 0.75,324 0.83,325 0.83,326 0.5,328 0.83,329 1,330 0.68,331 50.833,332 258,333 4.609,334 3.178,335 6.718,336 4.115,337 3.169,338 4.554,339 0.657,340 10.943,341 2.998,342 4.021,343 2.973,344 5.768,345 3.609,346 2.643,347 3.617,349 7.868,350 2.554,351 3.95,352 2.716,353 5.437,354 3.509,355 2.538,356 3.535,358 7.207,359 2.464,360 3.633,361 2.518,362 5.226,363 3.194,364 2.261,365 3.051,367 6.575,368 2.103,369 3.396,370 2.276,371 4.877,372 2.955,373 2.045,374 2.691,376 5.657,377 1.771,378 3.219,379 1.744,380 4.635,381 2.713,382 1.741,383 2.556,385 4.649,386 1.688,387 2.82,388 1.347,389 4.042,390 2.322,391 1.34,392 1.97,394 3.367,395 1.314,396 2.576,397 1.168,398 3.504,399 2.066,400 1.1,401 1.612,403 2.619,404 1.059,405 2.5,406 1,407 3.414,408 2,409 1,410 1.5,412 2.275,413 1,414 2.5,415 1,416 3.293,417 2,418 1,419 1.5,421 2.136,422 1,423 2.116,424 0.995,425 3.247,426 1.721,427 0.782,428 0.988,430 1.854,431 0.724,432 1.844,433 0.601,434 3.144,435 1.454,436 0.505,437 0.678,439 1.242,440 0.473,441 1.169,442 0.358,443 2.507,444 0.77,445 -0.121,446 -0.147,448 -0.273,449 -0.09,450 0.862,451 -0.286,452 2.366,453 0.436,454 -0.504,455 -0.652,457 -1.191,458 -0.448,459 0.691,460 -0.635,461 2.124,462 0.202,463 -0.751,464 -1.014,466 -1.865,467 -0.697,468 11.714,469 0.488,470 0.465,471 0.019,472 36,473 1.5,474 20.5,475 0.854,476 15.5,477 0.646,478 14.806,479 0.617,480 23.686,481 0.623,482 23.622,483 0.984,484 7.284,485 0.303,486 4.509,487 0.188,488 0.061,490 0.29,496 0.631,497 1.039,498 0.556,499 0.824,500 0.668,501 0.781,502 0.725,503 1.198,504 0.69,505 1,506 0.697,507 0.963,508 0.963,509 1.15,510 0.977,511 1.078,512 0.912,513 1.039,514 1.385,515 1.17,516 1.015,517 0.968,518 1.177,519 0.976,520 1.097,521 0.901,522 0.671,523 0.696,524 0.84,525 0.763,526 1.216,527 1.063,528 1.11,529 1.065,530 1.223,531 1.067,532 1.226,533 0.984,534 1.043,535 1.013,536 1.245,537 1.106,538 0.662,539 1.001,540 0.782,541 1.026,542 0.609,543 1.035,544 4,545 0.067,546 2.444,547 0.944,548 1.072,549 0.525,550 0.256,551 0.266,552 0.189,553 0.091,554 7092,555 20708,556 2.187,557 36.8,559 13,562 1,567 1.666,568 2.118,569 3.403,570 -0.301,572 1,577 59.45,578 1.564,579 3.14,580 3.911,581 4.702,582 4.774,583 4.774,584 2.892,585 3.772,586 4.555,587 3.529,588 973.943,589 7.846,590 11541.2,592 1,594 1,595 199.421,596 1.099,597 4.546,598 0.148,599 0.005,600 0.066,601 0.027,602 0.037,603 0.019,604 0.01,605 0.012,606 0.009,607 0.005,608 0.338,609 0.33,610 0.88,611 0.382,612 114.92,613 0.131,614 0.054,615 0.03,616 0.006,617 -0.025,618 0.012,619 0.121,620 -0.132,621 -0.006,622 -0.141,623 0.032,624 -0.129,625 0.041,626 -0.146,627 -0.054,628 -0.139,629 0.054,630 -0.104,631 -0.262,632 -0.132,633 -0.109,634 -0.045,635 -0.171,636 -0.037,637 -0.071,638 0.156,639 0.087,640 0.212,641 0.064,642 0.179,643 -0.186,644 -0.033,645 -0.211,646 -0.145,647 -0.212,648 -0.155,649 -0.295,650 0.031,651 -0.222,652 -0.084,653 -0.362,654 -0.168,655 0.121,656 -0.083,657 0.103,658 -0.022,659 0.205,660 -0.002,661 0.953,662 1.796,663 0.875,664 21.382,665 1.007,666 1.119,667 5.466,668 29.878,669 0.729,670 3.332,671 3.638,672 3.912,673 4.174,674 4.419,675 4.443,676 4.554,677 4.71,678 4.754,679 4.82,680 6.204,681 0.699,682 335.82,683 3.332,684 4.86,685 5.707,686 6.575,687 7.441,688 8.317,689 9.192,690 10.072,691 10.952,692 11.836,693 13.2,698 1,701 1,703 3,708 1,709 11,710 3,714 5,716 22,728 1,734 1,735 38,737 22,738 2,739 27,741 41,742 18,743 17,744 3,745 9,748 4,749 5,750 1,762 17,763 1,780 1,783 14,784 4,785 1,786 6,787 1,792 5,797 0.75,808 1,815 1,816 3,819 1,843 3,848 1,851 24,858 1,860 1,871 1,873 1,881 11.333,882 6.86,883 5.25,884 2.185,886 4.014,887 1.542,888 1.039,889 4.054,890 11.418,891 3.664,892 4.307,893 4.939,894 5.563,895 6.134,896 6.406,897 6.84,898 7.306,899 7.583,900 7.96,901 1,902 35,903 8.778,905 3.703,906 7.63,907 16.807,909 13.681,911 2.13,912 51.111,916 153.024,917 122.587,918 69.164,919 39.149,923 122.587,924 192.173,925 69.164,927 2.106,928 104.239,929 72.043,930 11.036,931 2.328,932 153.024,933 39.149,934 153.024,935 191.751,937 39.149,939 153.024,943 7.313,944 116.438,945 107.148,947 153.024,948 69.164,949 161.736,952 153.024,953 18.349,954 105.403,955 18.011,956 89.138,957 153.024,958 69.164,959 161.736,961 0.576,962 0.332,963 0.18,964 0.103,965 19,966 7,967 0.098,968 4,969 1,970 1.095,971 3.78,972 195.599,973 0.095,974 21,975 99.284,981 14.973,982 6.498,983 3.222,984 0.714,985 68,986 21.426,987 13.014,991 4.325,993 18.011,994 383.924,995 38,1007 38.251,1008 42.512,1009 0.298,1010 0.598,1011 0.745,1012 0.896,1013 0.91,1014 0.91,1015 4.864,1016 1.1,1017 5.666,1018 3.367,1019 4.317,1020 4.994,1021 0.623,1022 6.444,1023 4.224,1024 6.074,1025 1,1026 7.197,1027 2.619,1028 3.761,1029 4.691,1031 7.273,1032 3.551,1033 7.373,1034 1,1035 8.827,1036 2.275,1037 5.872,1038 7.247,1039 0.317,1040 10.38,1041 5.687,1042 8.712,1043 0.782,1044 10.52,1045 2.136,1046 6.176,1047 7.831,1049 12.112,1050 5.88,1051 10.085,1052 0.505,1053 12.256,1054 1.854,1055 7.712,1056 9.799,1057 0.149,1058 14.73,1059 7.43,1060 11.482,1061 -0.121,1062 14.023,1063 1.242,1064 8.432,1065 10.83,1067 16.846,1068 8.053,1069 12.9,1070 -0.504,1071 15.814,1072 -0.273,1073 9.726,1074 12.537,1075 0.067,1076 19.31,1077 9.339,1078 3.169,1079 -0.751,1080 17.624,1081 -1.191,1082 10.659,1083 13.806,1085 21.589,1086 10.186,1087 2.643,1088 10.943,1089 19.45,1090 -1.865,1091 11.851,1092 15.397,1093 0.03,1094 24.003,1095 11.351,1096 2.538,1097 7.868,1098 21.289,1099 4.554,1100 12.891,1101 16.789,1103 26.348,1104 12.315,1105 2.261,1106 7.207,1107 23.139,1108 3.617,1109 14.046,1110 18.33,1111 0.013,1112 28.747,1113 13.429,1114 2.045,1115 6.575,1116 24.998,1117 3.535,1118 15.138,1119 19.784,1121 31.12,1122 14.453,1123 1.741,1124 5.657,1125 26.864,1126 3.051,1127 16.282,1128 21.305,1129 0.006,1130 33.514,1131 15.547,1132 1.34,1133 4.649,1134 28.737,1135 2.691,1136 17.402,1137 22.789,1139 35.898,1140 16.602,1141 6617,1142 11440,1143 18.781,1144 27.693,1145 40.589,1146 40.819,1147 40.832,1148 40.472,1149 40.246,1150 56.504,1151 1.315,1152 112.784,1153 38.296,1154 5.432,1155 5.178,1156 6.52,1157 5.165,1158 5.169,1159 7.554,1160 1.315,1161 18.07,1162 4.998,1163 6.588,1164 1.503,1165 1.512,1166 1.512,1167 1.499,1168 1.491,1169 2.093,1170 0.049,1171 4.177,1172 1.418,1173 4.113,1174 4.172,1175 4.096,1176 3.945,1177 5.218,1178 3.968,1179 3.911,1180 3.939,1181 3.988,1182 3.856,1183 4.94,1184 3.848,1185 3.82,1186 3.857,1187 3.755,1188 3.722,1189 4.722,1190 3.73,1191 3.41,1192 3.482,1193 3.461,1194 3.209,1195 4.555,1196 3.23,1197 3.144,1198 3.201,1199 3.237,1200 3.024,1201 4.319,1202 3.017,1203 2.854,1204 2.925,1205 2.893,1206 2.735,1207 3.923,1208 2.715,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.818,1214 2.715,1215 2.85,1216 2.909,1217 2.687,1218 2.708,1219 3.674,1220 2.715,1221 0.171,1222 0.118,1223 0.249,1224 0.152,1225 0.117,1226 4.609,1227 0.169,1228 3.178,1229 0.024,1230 6.718,1231 0.405,1232 4.115,1233 0.111,1234 3.169,1235 4.554,1236 0.657,1237 10.943,1238 2.998,1239 1.934,1240 1.901,1241 2.032,1242 2.085,1243 1.158,1244 2.062,1245 1.901,1246 1.876,1247 2.008,1248 1.98,1249 1.104,1250 1.995,1251 1.787,1252 1.744,1253 1.875,1254 1.922,1255 0.93,1256 1.922,1257 1.261,1258 1.195,1259 1.476,1260 1.496,1261 0.649,1262 1.498,1263 1.191,1264 1.132,1265 1.287,1266 1.446,1267 0.364,1268 1.396,1269 0.886,1270 0.821,1271 1.181,1272 1.071,1273 0.218,1274 1.107,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.863,1282 0.812,1283 0.988,1284 1.062,1285 0.057,1286 1.062,1287 4.007,1289 5.313,1290 2.398,1291 6.817,1292 4.727,1293 8.406,1294 6.843,1295 10.041,1298 5.907,1303 0.665,1305 3.31,1314 26.569,1315 59.45,1316 119.314,1317 148.613,1318 178.666,1319 181.421,1320 181.421,1321 25.934,1322 7.404,1323 55.11,1324 55.11,1325 23,1326 12.371,1327 4.524,1328 3.585,1329 33.99,1330 90,1331 94,1332 0.186,1333 166.889,1334 270.73,1335 398.97,1336 16895,1337 2.6,1338 16.355,1339 0.681,1340 0.562,1341 16.855,1342 13.481,1343 11.793,1344 0.437,1345 0.294,1346 7.503,1347 11.144,1348 7.332,1349 6.082,1350 12.082,1351 7.935,1352 10.446,1353 0.282,1354 0.157,1355 10.854,1356 5.795,1357 8.951,1358 0.183,1359 0.08,1360 9.24,1361 3.934,1362 7.361,1363 0.115,1364 0.04,1365 7.528,1366 2.571,1367 6.236,1368 0.076,1369 0.022,1370 6.472,1371 1.824,1372 0.294,1373 76.24,1374 0.231,1375 23.639,1376 0.504,1377 128,1378 359.117,1379 153.649,1380 388.359,1381 536.7,1382 364,1383 150,1384 393.885,1385 171.915,1386 407.85,1387 593.88,1388 385,1389 5.1}
{0 CHEMBL1419458,1 1.745,2 10.607,3 1.666,4 2.776,5 104.153,6 9.156,7 0.71,8 3.886,9 4.007,10 3.62,11 3.366,12 5.241,13 3.412,14 4.287,15 4.427,16 3.93,17 3.702,18 5.592,19 3.738,20 4.444,21 4.62,22 3.945,23 3.739,24 5.773,25 3.751,26 4.497,27 4.689,28 3.983,29 3.694,30 5.827,31 3.736,32 4.46,33 4.644,34 3.993,35 3.674,36 5.824,37 3.741,38 4.447,39 4.612,40 3.938,41 3.658,42 5.872,43 3.717,44 4.486,45 4.668,46 3.856,47 3.57,48 5.984,49 3.621,50 4.325,51 4.535,52 3.543,53 3.433,54 5.637,55 3.433,56 0.255,57 0.729,58 5.328,59 2.757,60 13.042,61 2.935,62 0.334,63 1.057,64 8.663,65 4.306,66 20.002,67 4.777,68 0.531,69 1.125,70 12.926,71 5.244,72 40.17,73 6.418,74 0.618,75 1.144,76 15.088,77 4.953,78 36.881,79 6.014,80 0.556,81 1.127,82 13.716,83 4.245,84 39.481,85 4.699,86 0.525,87 1.072,88 12.623,89 4.425,90 38.222,91 4.524,92 0.796,93 1.005,94 15.482,95 4.549,96 74.037,97 4.665,98 0.644,99 0.854,100 14.652,101 4.222,102 62.87,103 4.628,104 5,105 42,106 0.299,107 0.644,108 0.766,109 0.832,110 0.843,111 0.843,112 3.375,113 0.781,114 -3.91,115 -3.86,116 -3.67,119 41.5,142 7,143 2,145 2,146 1,147 2,152 1,155 1,158 1,163 1,164 1,165 1,166 4,168 1,172 8,174 3,175 4,177 1,178 2,183 7,187 5,188 7,190 3,191 4,193 1,196 3,199 6,200 8,202 1,203 3,205 3,212 5,213 13,215 1,216 1,218 3,223 1,224 1,225 15,228 2,230 4,235 2,237 3,238 12,240 1,241 3,242 1,243 3,245 1,246 1,248 2,249 3,250 7,252 1,253 1,255 1,258 4,260 1,263 1,264 1,272 6,276 1370,277 19.38,278 19.38,279 19.38,280 19.38,281 19.38,282 16.433,283 12.198,284 11.753,285 19.681,286 15.326,287 15.326,288 15.326,289 15.326,290 15.326,291 11.024,292 8.953,293 5.577,294 15.785,295 3.613,296 1.601,297 0.888,298 0.506,299 0.439,300 0.439,301 4.072,304 1,305 1,306 1,307 650,308 3.082,311 160.973,312 189.575,319 1.592,320 27.257,322 1,323 0.75,324 0.83,325 0.83,326 0.3,328 0.67,329 0.5,330 0.55,331 62.5,332 297,333 4.651,334 3.615,335 7.009,336 4.26,337 3.297,338 4.386,339 0.98,340 11.974,341 3.177,342 4.17,343 3.223,344 6.283,345 3.76,346 2.801,347 3.774,349 9.299,350 2.677,351 3.947,352 2.74,353 5.691,354 3.519,355 2.53,356 3.51,358 7.431,359 2.5,360 3.819,361 2.599,362 5.339,363 3.43,364 2.43,365 3.305,367 6.961,368 2.424,369 3.474,370 2.18,371 5.099,372 3.018,373 2.045,374 2.793,376 5.757,377 1.985,378 3.08,379 1.82,380 4.394,381 2.536,382 1.593,383 2.266,385 3.956,386 1.506,387 2.929,388 1.7,389 3.906,390 2.476,391 1.495,392 2.105,394 3.267,395 1.46,396 2.768,397 1.451,398 3.741,399 2.306,400 1.353,401 1.837,403 3.095,404 1.283,405 2.564,406 1.309,407 3.639,408 2.104,409 1.137,410 1.587,412 2.611,413 1.097,414 2.532,415 1.202,416 3.437,417 2,418 1,419 1.5,421 2.196,422 1,423 2.5,424 1,425 3.396,426 1.984,427 1,428 1.5,430 2.136,431 0.983,432 2.5,433 1,434 3.247,435 1.941,436 0.966,437 1.417,439 2.136,440 0.936,441 2.284,442 0.857,443 3.247,444 1.762,445 0.775,446 1.158,448 2.015,449 0.762,450 2.181,451 0.741,452 3.183,453 1.609,454 0.646,455 0.98,457 1.659,458 0.618,459 1.207,460 0.488,461 2.617,462 0.857,463 -0.14,464 -0.175,466 -0.321,467 -0.139,468 12.767,469 0.456,470 0.521,471 0.019,472 42.25,473 1.509,474 23.5,475 0.839,476 18.75,477 0.67,478 16.948,479 0.605,480 28.633,481 0.698,482 32.608,483 1.165,484 8.936,485 0.319,486 4.801,487 0.171,488 0.057,490 0.305,496 0.609,497 1.014,498 0.619,499 0.868,500 0.671,501 0.769,502 0.699,503 1.213,504 0.735,505 1.107,506 0.672,507 0.966,508 0.613,509 1.04,510 0.834,511 1.071,512 0.804,513 1.034,514 0.91,515 1.044,516 0.844,517 0.946,518 0.833,519 0.892,520 1.189,521 1.073,522 0.885,523 0.879,524 1.17,525 0.795,526 1.401,527 1.233,528 1.058,529 1.135,530 1.578,531 1.023,532 1.532,533 0.963,534 1.235,535 0.957,536 1.861,537 1.011,538 1.531,539 0.827,540 1.341,541 0.818,542 1.748,543 0.999,544 3.5,545 0.079,546 2.889,547 1.653,548 1.367,549 0.9,550 0.565,551 0.316,552 0.206,553 0.13,554 9905,555 32963,556 2.137,557 31.7,559 7,561 3,562 3,567 1.714,568 2.049,569 3.332,570 1.059,571 1,572 1,577 71.538,578 1.745,579 3.757,580 4.47,581 4.851,582 4.919,583 4.919,584 2.727,585 4.522,586 4.775,587 3.546,588 1340.31,589 8.326,590 17709.9,591 1,592 1,594 1,595 219.66,596 1.198,597 4.76,598 0.113,599 0.004,600 0.069,601 0.04,602 0.033,603 0.021,604 0.014,605 0.009,606 0.008,607 0.006,608 0.316,609 0.33,610 1,611 0.444,612 140.017,613 0.175,614 0.15,615 0.047,616 0.082,617 -0.054,618 0.037,619 0.058,620 -0.099,621 0.002,622 -0.14,623 -0.012,624 -0.101,625 0.255,626 -0.018,627 0.059,628 -0.09,629 0.119,630 -0.086,631 0.107,632 -0.044,633 0.119,634 -0.014,635 0.112,636 0.035,637 -0.139,638 -0.033,639 0.031,640 0.011,641 -0.068,642 0.067,643 -0.261,644 -0.215,645 -0.16,646 -0.211,647 -0.121,648 -0.158,649 -0.126,650 -0.02,651 -0.214,652 -0.04,653 -0.059,654 -0.122,655 -0.293,656 0.085,657 -0.265,658 0.144,659 -0.32,660 -0.019,661 2.217,662 5.653,663 0.786,664 27.495,665 1.033,666 1.14,667 2.678,668 7.17,669 0.695,670 3.466,671 3.761,672 4.06,673 4.344,674 4.5,675 4.575,676 4.691,677 4.762,678 4.787,679 4.762,680 6.449,681 0.699,682 375.39,683 3.466,684 4.99,685 5.844,686 6.718,687 7.593,688 8.481,689 9.368,690 10.263,691 11.158,692 12.059,693 22,697 1,700 1,701 1,702 1,703 5,709 9,710 5,712 1,714 6,715 1,716 22,727 1,735 41,737 24,738 1,739 31,741 44,742 17,743 15,744 1,745 5,746 2,748 4,749 4,751 1,762 17,767 2,772 1,774 1,775 1,776 1,779 1,780 1,783 13,784 10,785 3,786 11,792 9,797 1,798 2,809 1,815 2,816 2,843 4,851 28,852 1,860 1,871 1,874 4.9,877 1,879 1,881 13.667,882 7.4,883 6.25,884 2.168,886 3.566,887 1.488,888 1.002,889 4.975,890 10.873,891 3.807,892 4.401,893 5.019,894 5.627,895 6.051,896 6.353,897 6.768,898 7.135,899 7.442,900 7.673,901 0.857,902 41,903 10.202,905 4.332,906 7.952,907 18.709,909 14.694,911 2.452,912 68.667,916 117.711,917 114.721,918 158.407,920 35.106,923 114.721,924 152.817,925 158.407,927 17.888,928 99.231,929 163.393,930 55.623,931 7.413,932 82.398,934 117.711,935 273.128,936 35.106,939 117.711,940 35.106,943 57.179,944 117.719,945 98.23,947 117.711,948 193.513,949 114.721,952 117.711,953 21.245,954 95.253,955 17.888,956 173.848,957 117.711,958 193.513,959 114.721,961 0.57,962 0.339,963 0.192,964 0.1,965 20,966 8,967 0.114,968 5,970 1,971 4.019,972 244.324,974 22,975 126.606,981 17.675,982 7.882,983 3.718,985 191.736,986 15.843,987 19.138,989 4.631,991 2.025,992 1.294,993 50.785,994 425.945,995 44,1000 12.653,1002 1.492,1003 3.942,1004 -0.551,1007 42.338,1008 46.734,1009 0.326,1010 0.701,1011 0.834,1012 0.906,1013 0.918,1014 0.918,1015 5.007,1016 1.353,1017 5.802,1018 3.267,1019 4.443,1020 5.088,1021 1.072,1022 6.613,1023 4.385,1024 6.209,1025 1.137,1026 7.353,1027 3.095,1028 3.892,1029 4.677,1031 7.557,1032 3.804,1033 7.502,1034 1,1035 9.016,1036 2.611,1037 6.014,1038 7.27,1039 1.045,1040 10.724,1041 5.894,1042 8.839,1043 1,1044 10.751,1045 2.196,1046 6.399,1047 7.805,1049 12.605,1050 6.239,1051 10.213,1052 0.966,1053 12.535,1054 2.136,1055 7.919,1056 9.751,1057 1.019,1058 15.284,1059 7.73,1060 11.616,1061 0.775,1062 14.353,1063 2.136,1064 8.731,1065 10.739,1067 17.522,1068 8.496,1069 13.041,1070 0.646,1071 16.196,1072 2.015,1073 10.021,1074 12.408,1075 0.993,1076 20.058,1077 9.754,1078 3.297,1079 -0.14,1080 18.057,1081 1.659,1082 11.03,1083 13.627,1085 22.438,1086 10.717,1087 2.801,1088 11.974,1089 19.932,1090 -0.321,1091 12.237,1092 15.173,1093 0.967,1094 24.931,1095 11.888,1096 2.53,1097 9.299,1098 21.819,1099 4.386,1100 13.337,1101 16.51,1103 27.369,1104 12.945,1105 2.43,1106 7.431,1107 23.715,1108 3.774,1109 14.518,1110 18.005,1111 0.942,1112 29.85,1113 14.088,1114 2.045,1115 6.961,1116 25.618,1117 3.51,1118 15.661,1119 19.405,1121 32.311,1122 15.19,1123 1.593,1124 5.757,1125 27.527,1126 3.305,1127 16.837,1128 20.88,1129 0.917,1130 34.79,1131 16.328,1132 1.495,1133 3.956,1134 29.442,1135 2.793,1136 18.001,1137 22.312,1139 37.263,1140 17.453,1141 9360,1142 17295,1143 21.266,1144 28.483,1145 47.058,1146 47.496,1147 47.35,1148 46.133,1149 46.133,1150 64.233,1151 1.96,1152 128.984,1153 44.817,1154 5.452,1155 5.615,1156 6.811,1157 5.321,1158 5.297,1159 7.386,1160 1.96,1161 19.471,1162 5.177,1163 9.36,1164 1.518,1165 1.532,1166 1.527,1167 1.488,1168 1.488,1169 2.072,1170 0.063,1171 4.161,1172 1.446,1173 4.056,1174 4.103,1175 4.041,1176 3.916,1177 7.43,1178 3.931,1179 3.878,1180 3.921,1181 3.821,1182 3.774,1183 5.444,1184 3.779,1185 3.808,1186 3.847,1187 3.762,1188 3.612,1189 5.029,1190 3.65,1191 3.64,1192 3.686,1193 3.612,1194 3.37,1195 4.938,1196 3.428,1197 3.347,1198 3.435,1199 3.299,1200 3.028,1201 4.848,1202 3.08,1203 3.001,1204 3.046,1205 2.952,1206 2.757,1207 4.705,1208 2.79,1209 2.854,1210 2.935,1211 2.687,1212 2.735,1213 4.612,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.744,1220 2.715,1221 0.15,1222 0.117,1223 0.226,1224 0.137,1225 0.106,1226 4.651,1227 0.141,1228 3.615,1229 0.032,1230 7.009,1231 0.386,1232 4.26,1233 0.102,1234 3.297,1235 4.386,1236 0.98,1237 11.974,1238 3.177,1239 1.919,1240 1.893,1241 2.025,1242 2.008,1243 1.118,1244 2.011,1245 1.844,1246 1.807,1247 1.953,1248 1.973,1249 0.976,1250 1.97,1251 1.536,1252 1.496,1253 1.595,1254 1.757,1255 0.684,1256 1.716,1257 1.416,1258 1.364,1259 1.49,1260 1.718,1261 0.388,1262 1.654,1263 1.133,1264 1.061,1265 1.293,1266 1.526,1267 0.218,1268 1.421,1269 1.018,1270 0.942,1271 1.181,1272 1.373,1273 0.218,1274 1.333,1275 0.886,1276 0.821,1277 1.181,1278 1.228,1279 0.218,1280 1.119,1281 0.886,1282 0.821,1283 1.147,1284 1.062,1285 0.083,1286 1.107,1287 4.143,1289 5.442,1290 3.045,1291 6.936,1292 5.352,1293 8.52,1294 7.413,1295 10.156,1301 5.764,1305 2.434,1314 28.676,1315 71.538,1316 154.034,1317 183.253,1318 198.905,1319 201.66,1320 201.66,1321 43.853,1322 7.307,1323 150,1324 150,1325 22,1326 12.582,1327 4.644,1328 3.807,1329 42.273,1330 103,1331 125,1332 0.192,1333 178.279,1334 294.52,1335 426.761,1336 13887,1338 19.347,1339 0.691,1340 0.511,1341 19.347,1342 14.298,1343 13.737,1344 0.443,1345 0.26,1346 7.895,1347 12.949,1348 7.808,1349 6.514,1350 13.737,1351 8.068,1352 11.865,1353 0.282,1354 0.131,1355 11.865,1356 5.517,1357 10.222,1358 0.179,1359 0.065,1360 10.222,1361 3.715,1362 8.698,1363 0.114,1364 0.032,1365 8.698,1366 2.444,1367 6.539,1368 0.073,1369 0.017,1370 6.539,1371 1.49,1372 0.299,1373 88.097,1374 0.217,1375 26.705,1376 0.536,1377 146,1378 526.632,1379 166.468,1380 510.206,1381 700.16,1382 474,1383 172,1384 544.982,1385 195.659,1386 539.88,1387 775.24,1388 505,1389 5.1}
{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 5,237 2,238 6,241 2,243 2,246 1,250 1,253 1,255 5,263 3,264 3,267 2,269 2,272 1,276 2001,277 22.195,278 22.195,279 22.195,280 22.195,281 22.195,282 19.929,283 32.957,284 13.115,285 23.048,286 17.742,287 17.742,288 17.742,289 17.742,290 17.742,291 14.303,292 53.106,293 6.184,294 19.239,295 4.101,296 2.018,297 1.131,298 0.568,299 0.568,300 0.568,301 4.224,302 1,306 1,307 1026,308 3.464,311 97.808,312 357.583,319 2.349,320 33.625,323 1,324 0.67,325 1,326 1,327 0.5,328 1,329 1,330 0.88,331 71.833,332 479,333 4.372,334 3.598,335 6.427,336 3.97,337 3.025,338 4.012,339 1.058,340 9.81,341 2.855,342 4.278,343 3.209,344 6.209,345 3.89,346 2.963,347 3.905,348 0.8,349 9.352,350 2.742,351 4.182,352 3.187,353 6.053,354 3.729,355 2.816,356 3.795,357 0.8,358 8.741,359 2.583,360 3.731,361 2.874,362 5.56,363 3.499,364 2.572,365 2.948,366 0.4,367 7.535,368 2.377,369 3.573,370 2.712,371 5.322,372 3.261,373 2.344,374 2.8,376 6.886,377 2.131,378 3.377,379 2.486,380 5.139,381 3.091,382 2.175,383 2.481,385 6.287,386 1.978,387 3.232,388 2.379,389 4.841,390 2.799,391 1.879,392 2.478,394 5.178,395 1.722,396 3.232,397 2.119,398 4.717,399 2.782,400 1.854,401 2.446,403 5.104,404 1.638,405 2.898,406 1.66,407 4.254,408 2.451,409 1.484,410 2.064,412 3.876,413 1.433,414 2.623,415 1.578,416 4.184,417 2.329,418 1.39,419 1.628,421 3.748,422 1.3,423 2.572,424 1.558,425 3.789,426 2.079,427 1.12,428 1.553,430 2.808,431 1.051,432 2.17,433 1.399,434 3.414,435 1.967,436 1.025,437 1.055,439 2.275,440 0.965,441 2.062,442 1.146,443 3.275,444 1.935,445 1,446 1.003,448 1.824,449 0.926,450 2,451 1.064,452 3.163,453 1.528,454 0.688,455 1,457 1.676,458 0.566,459 1.58,460 0.727,461 2.952,462 1.216,463 0.302,464 0.362,466 0.714,467 0.248,468 16.014,469 0.485,470 0.835,471 0.025,472 41.75,473 1.265,474 19,475 0.576,476 22.75,477 0.689,478 31.371,479 0.951,480 36.186,481 0.613,482 31.424,483 0.952,484 8.116,485 0.246,486 7.807,487 0.237,488 0.149,490 0.331,496 0.871,497 1.516,498 0.673,499 0.997,500 0.729,501 0.939,502 0.846,503 1.116,504 0.718,505 0.852,506 0.638,507 0.832,508 1.049,509 1.094,510 0.974,511 0.982,512 0.885,513 0.963,514 0.792,515 1.051,516 0.939,517 1.061,518 0.784,519 1.089,520 1.031,521 0.858,522 0.993,523 0.89,524 0.99,525 0.89,526 1.204,527 0.956,528 0.805,529 0.815,530 1.435,531 0.852,532 0.825,533 1.14,534 1.308,535 1.304,536 0.675,537 1.059,538 0.943,539 1.085,540 1.039,541 1.08,542 0.788,543 0.962,544 7.5,545 0.133,546 3.556,547 2.222,548 1.899,549 1.181,550 0.688,551 0.518,552 0.28,553 0.313,554 16711,555 48685,556 2.061,557 44.1,558 3,559 16,561 1,562 3,563 3,567 1.749,568 1.922,569 3.77,570 0.922,577 105.106,578 1.781,579 3.865,580 4.752,581 5.315,582 5.315,583 5.315,584 3.242,585 4.62,586 5.014,587 3.973,588 2097.49,589 8.765,590 32631.5,595 347.076,596 1.434,597 4.971,598 0.208,599 0.004,600 0.071,601 0.044,602 0.04,603 0.026,604 0.016,605 0.013,606 0.008,607 0.01,608 0.443,609 0.17,610 0.88,611 0.871,612 178.143,613 -0.103,614 -0.284,615 0.036,616 -0.029,617 -0.079,618 -0.005,619 0.046,620 0.031,621 0.118,622 0.1,623 0.062,624 0.096,625 -0.089,626 -0.01,627 -0.037,628 -0.021,629 -0.048,630 -0.022,631 0.071,632 -0.045,633 -0.009,634 -0.095,635 0.049,636 -0.103,637 0.004,638 0.083,639 0.046,640 0.094,641 0.05,642 0.101,643 -0.092,644 0.057,645 0.17,646 0.214,647 -0.151,648 0.114,649 0.027,650 -0.048,651 -0.116,652 -0.117,653 0.047,654 -0.054,655 -0.055,656 -0.037,657 -0.057,658 -0.038,659 0.005,660 0.009,661 1.933,662 5.693,663 0.697,664 39.278,665 1.01,666 1.134,667 3.268,668 10.678,669 0.679,670 3.611,671 3.932,672 4.174,673 4.419,674 4.595,675 4.654,676 4.727,677 4.868,678 4.963,679 5.03,680 8.272,681 0.642,682 488.07,683 3.611,684 5.153,685 5.994,686 6.866,687 7.721,688 8.595,689 9.455,690 10.33,691 11.193,692 12.069,693 11.9,696 1,699 1,700 1,701 1,703 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 7,797 1,798 2,799 1,810 1,815 1,816 3,839 1,841 1,843 4,845 1,847 2,848 1,851 33,857 1,858 6,860 2,864 2,868 1,873 1,874 3.4,875 1,877 1,881 17.167,882 11.093,883 7.278,884 3.454,886 3.184,887 1.4,888 0.966,889 7.884,890 11.14,891 3.839,892 4.41,893 4.923,894 5.448,895 5.849,896 6.035,897 6.261,898 6.662,899 7.016,900 7.296,901 0.9,902 50,903 12.193,905 5.129,906 7.771,907 23.249,909 18.825,911 2.271,912 74.944,916 270.735,917 129.4,918 92.627,919 39.149,920 67.828,922 31.278,923 98.122,924 377.712,925 92.627,926 17.65,927 28.539,928 80.588,929 91.977,930 45.578,931 6.014,932 290.242,933 39.149,934 270.735,935 190.749,936 67.828,937 70.426,939 273.063,940 25.145,941 42.683,943 76.873,944 61.191,945 89.505,946 31.278,947 270.735,948 160.455,949 168.548,952 270.735,953 64.797,954 70.851,955 36.022,956 157.334,957 270.735,958 160.455,959 168.548,961 0.58,962 0.336,963 0.181,964 0.095,965 23,966 11,967 0.113,968 7,970 1,971 4.446,972 295.833,974 23,975 157.71,977 1,981 23.984,982 10.847,983 6.05,985 160.455,986 8.899,987 13.38,990 1.238,991 5.123,993 78.705,994 599.738,995 45.5,1000 12.693,1004 -0.267,1007 59.603,1008 66.923,1009 0.303,1010 0.657,1011 0.808,1012 0.903,1013 0.903,1014 0.903,1015 5.083,1016 1.854,1017 5.979,1018 5.178,1019 4.615,1020 5.097,1021 1.701,1022 6.765,1023 4.459,1024 6.275,1025 1.484,1026 7.525,1027 5.104,1028 4.205,1029 4.89,1030 0.57,1031 7.582,1032 3.955,1033 7.573,1034 1.39,1035 9.164,1036 3.876,1037 6.192,1038 7.225,1039 1.5,1040 10.652,1041 5.89,1042 8.9,1043 1.12,1044 10.857,1045 3.748,1046 6.567,1047 7.811,1048 0.479,1049 12.26,1050 6.171,1051 10.257,1052 1.025,1053 12.583,1054 2.808,1055 8.028,1056 9.634,1057 1.472,1058 14.832,1059 7.584,1060 11.634,1061 1,1062 14.333,1063 2.275,1064 8.766,1065 10.595,1066 0.346,1067 16.784,1068 8.236,1069 13.027,1070 0.688,1071 16.099,1072 1.824,1073 10.009,1074 12.196,1075 1.501,1076 19.165,1077 9.429,1078 3.025,1079 0.302,1080 17.878,1081 1.676,1082 10.924,1083 13.348,1084 0.237,1085 21.277,1086 10.265,1087 2.963,1088 9.81,1089 19.668,1090 0.714,1091 12.072,1092 14.841,1093 1.556,1094 23.582,1095 11.36,1096 2.816,1097 9.352,1098 21.465,1099 4.012,1100 13.074,1101 16.092,1102 0.158,1103 25.769,1104 12.288,1105 2.572,1106 8.741,1107 23.27,1108 3.905,1109 14.182,1110 17.529,1111 1.626,1112 28.043,1113 13.339,1114 2.344,1115 7.535,1116 25.08,1117 3.795,1118 15.226,1119 18.834,1120 0.104,1121 30.267,1122 14.314,1123 2.175,1124 6.886,1125 26.894,1126 2.948,1127 16.319,1128 20.242,1129 1.706,1130 32.531,1131 15.348,1132 1.879,1133 6.287,1134 28.713,1135 2.8,1136 17.383,1137 21.575,1138 0.068,1139 34.773,1140 16.347,1141 15991,1142 27529,1143 23.868,1144 40.068,1145 53.852,1146 54.91,1147 55.262,1148 53.389,1149 53.272,1150 67.06,1151 6.117,1152 151.631,1153 49.029,1154 5.372,1155 5.598,1156 6.197,1157 5.109,1158 5.025,1159 7.012,1160 2.117,1161 16.37,1162 4.855,1163 17.595,1164 1.496,1165 1.525,1166 1.535,1167 1.483,1168 1.48,1169 1.863,1170 0.17,1171 4.212,1172 1.362,1173 3.993,1174 4.038,1175 4.246,1176 3.912,1177 7.429,1178 3.896,1179 3.92,1180 3.959,1181 4.011,1182 3.82,1183 6.456,1184 3.802,1185 3.818,1186 3.859,1187 3.872,1188 3.722,1189 5.005,1190 3.706,1191 3.72,1192 3.768,1193 3.641,1194 3.54,1195 4.93,1196 3.553,1197 3.421,1198 3.49,1199 3.369,1200 3.194,1201 4.789,1202 3.196,1203 3.274,1204 3.332,1205 3.265,1206 3.052,1207 4.361,1208 3.062,1209 3.176,1210 3.256,1211 3.233,1212 3.035,1213 4.336,1214 3.014,1215 3.148,1216 3.223,1217 2.993,1218 2.957,1219 4.037,1220 2.958,1221 0.121,1222 0.1,1223 0.179,1224 0.11,1225 0.084,1226 4.372,1227 0.111,1228 3.598,1229 0.029,1230 6.427,1231 0.273,1232 3.97,1233 0.079,1234 3.025,1235 4.012,1236 1.058,1237 9.81,1238 2.855,1239 1.911,1240 1.888,1241 2.006,1242 2.062,1243 1.314,1244 2.049,1245 1.849,1246 1.791,1247 2.005,1248 1.998,1249 1.136,1250 2.007,1251 1.692,1252 1.628,1253 1.843,1254 1.911,1255 0.964,1256 1.898,1257 1.495,1258 1.496,1259 1.677,1260 1.655,1261 0.854,1262 1.659,1263 1.385,1264 1.315,1265 1.545,1266 1.646,1267 0.825,1268 1.631,1269 1.298,1270 1.238,1271 1.532,1272 1.521,1273 0.668,1274 1.532,1275 1.204,1276 1.129,1277 1.513,1278 1.407,1279 0.605,1280 1.459,1281 1.153,1282 1.064,1283 1.513,1284 1.376,1285 0.593,1286 1.429,1287 4.29,1289 5.609,1290 2.398,1291 7.111,1292 4.595,1293 8.696,1294 6.581,1295 10.323,1297 3.742,1298 6.22,1302 9.128,1303 4.286,1305 6.061,1309 4.441,1314 37.862,1315 105.106,1316 228.043,1317 280.347,1318 313.566,1319 313.566,1320 313.566,1321 60.808,1322 7.956,1323 106.51,1324 134.75,1325 23,1326 12.611,1327 4.248,1328 3.392,1329 54.607,1330 165,1331 182,1332 0.16,1333 240.898,1334 411.56,1335 579.551,1336 36058,1337 1.7,1338 23.372,1339 0.708,1340 0.608,1341 24.225,1342 20.08,1343 15.923,1344 0.442,1345 0.329,1346 10.585,1347 14.517,1348 10.203,1349 8.418,1350 16.62,1351 11.853,1352 14.445,1353 0.289,1354 0.184,1355 15.485,1356 9.189,1357 11.81,1358 0.185,1359 0.103,1360 12.975,1361 6.588,1362 9.89,1363 0.121,1364 0.056,1365 11.004,1366 4.619,1367 7.523,1368 0.077,1369 0.029,1370 8.334,1371 2.857,1372 0.258,1373 107.355,1374 0.205,1375 31.192,1376 0.419,1377 172,1378 521.84,1379 232.562,1380 553.559,1381 745.38,1382 518,1383 200,1384 507.292,1385 253.281,1386 537.185,1387 787.64,1388 505,1389 5.1}
{0 CHEMBL1461728,1 1.71,2 8.053,3 2.464,4 6.071,5 69.544,6 8.802,7 0.762,8 3.511,9 3.621,10 3.211,11 3.099,12 4.792,13 3.112,14 3.955,15 4.078,16 3.558,17 3.456,18 5.282,19 3.458,20 4.17,21 4.344,22 3.508,23 3.476,24 5.469,25 3.454,26 4.139,27 4.353,28 3.345,29 3.277,30 5.434,31 3.259,32 3.916,33 4.118,34 3.209,35 3.072,36 5.471,37 3.06,38 3.705,39 3.88,40 3.014,41 3.04,42 4.987,43 3.011,44 3.689,45 3.874,46 3.046,47 3.006,48 5.059,49 2.968,50 3.589,51 3.793,52 2.803,53 2.824,54 4.856,55 2.778,56 0.094,57 0.51,58 3.986,59 2.322,60 6.654,61 2.464,62 0.161,63 0.785,64 6.694,65 3.762,66 12.969,67 4.132,68 0.282,69 0.917,70 10.998,71 4.913,72 32.686,73 5.369,74 0.335,75 0.814,76 12.854,77 4.621,78 39.805,79 5.315,80 0.478,81 0.647,82 10.744,83 3.79,84 71.37,85 4.292,86 0.209,87 0.536,88 7.359,89 3.121,90 28.495,91 3.34,92 0.209,93 0.536,94 7.432,95 3.333,96 22.742,97 4.087,98 0.187,99 0.54,100 7.119,101 3.033,102 26.693,103 3.424,104 5,105 29,106 0.321,107 0.617,108 0.785,109 0.913,110 0.913,111 0.913,112 3.01,113 0.818,114 -4.09,115 -4.04,116 -3.82,119 48.3,142 7,143 2,144 2,145 1,152 1,158 1,168 1,172 6,175 2,178 1,180 5,183 6,188 4,193 6,196 4,200 4,205 1,208 2,213 3,216 1,217 1,218 1,221 6,233 6,237 1,238 1,241 1,243 1,246 4,250 2,255 2,258 2,264 1,269 1,276 392,277 12.878,278 12.878,279 12.878,280 12.878,281 12.878,282 10.873,283 9.147,284 7.624,285 13.037,286 10.382,287 10.382,288 10.382,289 10.382,290 10.382,291 7.381,292 11.354,293 3.642,294 10.643,295 3.147,296 1.574,297 0.678,301 3.689,305 1,306 1,307 334,308 2.55,311 43.374,312 107.377,315 74.713,319 1.219,320 22.862,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 42,332 153,333 4.43,334 3.577,335 6.202,336 3.947,337 2.963,338 4.366,339 1.058,340 9.289,341 2.912,342 4.207,343 2.947,344 6.068,345 3.82,346 2.825,347 3.793,349 8.769,350 2.806,351 3.713,352 2.879,353 5.279,354 3.298,355 2.343,356 3.12,358 6.757,359 2.23,360 3.471,361 2.324,362 4.953,363 3.039,364 2.072,365 2.807,367 5.746,368 1.985,369 3.034,370 1.9,371 4.369,372 2.517,373 1.534,374 2.301,376 4.217,377 1.507,378 2.818,379 1.534,380 3.98,381 2.327,382 1.341,383 1.914,385 3.28,386 1.308,387 2.603,388 1.192,389 3.472,390 2.097,391 1.122,392 1.65,394 2.516,395 1.091,396 2.524,397 1.131,398 3.434,399 2,400 1,401 1.481,403 2.356,404 0.995,405 1.949,406 0.633,407 3.049,408 1.433,409 0.462,410 0.681,412 1.116,413 0.447,414 1.149,415 0.284,416 2.732,417 0.753,418 -0.239,419 -0.312,421 -0.636,422 -0.235,423 0.944,424 0.19,425 2.264,426 0.498,427 -0.408,428 -0.516,430 -0.91,431 -0.353,432 0.694,433 -0.462,434 2,435 0.225,436 -0.785,437 -1.092,439 -2.071,440 -0.783,441 0.629,442 -0.769,443 1.926,444 0.139,445 -0.86,446 -1.298,448 -2.36,449 -0.86,450 0.477,451 -0.916,452 1.605,453 -0.005,454 -1,455 -1.473,457 -2.513,458 -0.998,459 -0.04,460 -1.127,461 1.508,462 -0.418,463 -1.344,464 -1.815,466 -3.392,467 -1.237,468 8.819,469 0.464,470 0.452,471 0.024,472 28,473 1.474,474 16,475 0.842,476 12,477 0.632,478 10.12,479 0.533,480 19.381,481 0.668,482 18.338,483 0.965,484 5.837,485 0.307,486 3.383,487 0.178,488 0.07,490 0.34,494 1,496 0.595,497 0.847,498 0.634,499 0.815,500 0.527,501 0.749,502 0.636,503 1.09,504 0.771,505 1.074,506 0.574,507 0.994,508 1.061,509 1.135,510 1.103,511 1.173,512 1.008,513 1.155,514 1.149,515 1.005,516 1.067,517 1.027,518 1.104,519 1.012,520 1.003,521 0.6,522 0.974,523 0.77,524 1.182,525 0.849,526 1.139,527 0.808,528 1.114,529 0.913,530 1.203,531 0.979,532 0.649,533 0.948,534 0.803,535 1.035,536 0.797,537 1.01,538 1.251,539 1.347,540 1.167,541 1.195,542 1.268,543 1.181,544 4,545 0.025,546 2,547 1.132,548 0.951,549 0.351,550 0.27,551 0.205,552 0.103,553 0.071,554 3488,555 11608,556 2.113,557 34.5,559 7,561 1,562 2,567 1.599,568 2,569 3.059,570 0.393,572 1,573 1,574 1,577 49.604,578 1.71,579 3.284,580 4.18,581 4.858,582 4.858,583 4.858,584 2.458,585 3.932,586 4.225,587 3.174,588 542.804,589 7.175,590 5359.8,591 1,592 1,594 1,595 140.881,596 1.324,597 4.189,598 0.19,599 0.006,600 0.069,601 0.044,602 0.045,603 0.019,604 0.017,605 0.013,606 0.009,607 0.009,608 0.421,609 0.83,610 1,611 0.565,612 82.627,613 -0.024,614 0.088,615 0.012,616 0.085,617 -0.056,618 0.068,619 0.015,620 -0.161,621 -0.058,622 -0.157,623 0.018,624 -0.14,625 -0.154,626 -0.174,627 -0.201,628 -0.218,629 -0.103,630 -0.22,631 -0.16,632 -0.144,633 -0.023,634 -0.077,635 -0.089,636 -0.018,637 0.221,638 0.315,639 0.103,640 0.205,641 0.172,642 0.135,643 -0.208,644 0.081,645 -0.19,646 0.063,647 -0.195,648 -0.017,649 0.198,650 -0.093,651 0.162,652 -0.027,653 0.111,654 0.018,655 -0.145,656 -0.225,657 -0.132,658 -0.164,659 -0.155,660 -0.157,661 2.099,662 5.041,663 0.789,664 11.889,665 1.023,666 1.128,667 2.864,668 8.2,669 0.705,670 3.091,671 3.401,672 3.638,673 3.871,674 4.007,675 3.97,676 4.06,677 4.094,678 4.007,679 4.025,680 5.034,681 0.699,682 255.27,683 3.091,684 4.615,685 5.451,686 6.315,687 7.165,688 8.03,689 8.884,690 9.749,691 10.606,692 11.471,693 10.3,700 1,701 1,703 1,708 2,709 8,710 1,711 1,714 3,716 16,723 1,734 1,735 29,737 17,738 2,739 21,741 31,742 14,743 13,744 5,745 7,746 1,748 3,749 4,762 14,767 1,772 1,776 1,780 1,781 1,783 10,784 4,785 2,786 5,792 3,797 0.667,798 1,807 1,815 1,816 2,819 1,843 2,849 1,851 19,860 1,873 1,874 3.4,877 1,881 9.5,882 5.176,883 4.139,884 1.59,886 3.019,887 1.464,888 1.04,889 2.918,890 9.528,891 3.434,892 4.073,893 4.674,894 5.266,895 5.731,896 5.927,897 6.289,898 6.592,899 6.534,900 6.876,901 1,902 26,903 6.996,905 3.037,906 8.079,907 12.878,909 10.439,911 2.579,912 49,916 94.169,917 99.866,918 51.337,920 25.145,921 14.96,923 99.866,924 119.314,925 66.297,927 18.011,928 66.334,929 58.284,930 43.347,931 17.104,932 82.398,934 94.169,935 151.203,936 40.105,939 109.129,940 25.145,943 43.721,944 90.819,945 16.663,947 109.129,948 76.482,949 99.866,952 94.169,953 24.485,954 75.381,955 34.674,956 56.768,957 94.169,958 91.442,959 99.866,961 0.581,962 0.334,963 0.178,964 0.091,965 15,966 6,967 0.065,968 2,969 1,970 1.133,971 3.231,972 137.715,973 0.133,974 15,975 80.711,981 11.724,982 4.729,983 2.428,984 1.792,985 74.779,986 12.628,987 3.904,988 2.827,991 0.494,993 34.674,994 285.477,995 30,1000 11.939,1004 -0.345,1007 29.68,1008 32.705,1009 0.352,1010 0.676,1011 0.861,1012 1,1013 1,1014 1,1015 4.635,1016 1,1017 5.425,1018 2.516,1019 4.078,1020 4.758,1021 1.176,1022 6.192,1023 4.032,1024 5.855,1025 0.462,1026 6.956,1027 2.356,1028 3.611,1029 4.543,1031 6.969,1032 3.54,1033 7.16,1034 -0.239,1035 8.581,1036 1.116,1037 5.631,1038 7.011,1039 1.255,1040 10.033,1041 5.549,1042 8.502,1043 -0.408,1044 10.262,1045 -0.636,1046 5.969,1047 7.634,1049 11.618,1050 5.87,1051 9.872,1052 -0.785,1053 11.977,1054 -0.91,1055 7.451,1056 9.547,1057 1.338,1058 14.167,1059 7.342,1060 11.264,1061 -0.86,1062 13.716,1063 -2.071,1064 8.165,1065 10.581,1067 16.093,1068 8.044,1069 12.672,1070 -1,1071 15.472,1072 -2.36,1073 9.415,1074 12.248,1075 1.422,1076 18.445,1077 9.284,1078 2.963,1079 -1.344,1080 17.24,1081 -2.513,1082 10.312,1083 13.492,1085 20.525,1086 10.17,1087 2.825,1088 9.289,1089 19.018,1090 -3.392,1091 11.459,1092 15.046,1093 1.51,1094 22.796,1095 11.307,1096 2.343,1097 8.769,1098 20.803,1099 4.366,1100 12.444,1101 16.398,1103 24.946,1104 12.28,1105 2.072,1106 6.757,1107 22.594,1108 3.793,1109 13.547,1110 17.9,1111 1.599,1112 27.183,1113 13.371,1114 1.534,1115 5.746,1116 24.389,1117 3.12,1118 14.575,1119 19.307,1121 29.365,1122 14.387,1123 1.341,1124 4.217,1125 26.187,1126 2.807,1127 15.658,1128 20.787,1129 1.69,1130 31.588,1131 15.458,1132 1.122,1133 3.28,1134 27.989,1135 2.301,1136 16.708,1137 22.222,1139 33.787,1140 16.494,1141 3349,1142 6201,1143 14.216,1144 20.455,1145 31.785,1146 32.32,1147 31.897,1148 31.385,1149 31.326,1150 44.227,1151 2.117,1152 88.092,1153 30.563,1154 5.254,1155 5.577,1156 5.755,1157 4.975,1158 4.963,1159 7.366,1160 2.117,1161 15.639,1162 4.912,1163 7.25,1164 1.514,1165 1.539,1166 1.519,1167 1.495,1168 1.492,1169 2.106,1170 0.101,1171 4.195,1172 1.455,1173 4.099,1174 4.141,1175 4.061,1176 3.99,1177 8.201,1178 4.002,1179 3.917,1180 3.942,1181 3.873,1182 3.838,1183 7.429,1184 3.841,1185 3.47,1186 3.532,1187 3.417,1188 3.242,1189 5.095,1190 3.277,1191 3.175,1192 3.21,1193 3.116,1194 2.991,1195 4.613,1196 3.012,1197 2.934,1198 2.994,1199 2.824,1200 2.796,1201 4.427,1202 2.796,1203 2.894,1204 2.954,1205 2.792,1206 2.733,1207 3.832,1208 2.734,1209 2.601,1210 2.688,1211 2.463,1212 2.344,1213 3.658,1214 2.37,1215 2.274,1216 2.391,1217 2.175,1218 2.05,1219 3.496,1220 2.054,1221 0.211,1222 0.17,1223 0.295,1224 0.188,1225 0.141,1226 4.43,1227 0.208,1228 3.577,1229 0.05,1230 6.202,1231 0.442,1232 3.947,1233 0.139,1234 2.963,1235 4.366,1236 1.058,1237 9.289,1238 2.912,1239 1.946,1240 1.922,1241 2.029,1242 2.046,1243 1.153,1244 2.041,1245 1.875,1246 1.853,1247 1.972,1248 1.963,1249 1.055,1250 1.966,1251 1.313,1252 1.231,1253 1.465,1254 1.648,1255 0.409,1256 1.598,1257 1.228,1258 1.195,1259 1.349,1260 1.473,1261 0.37,1262 1.434,1263 0.936,1264 0.891,1265 1.14,1266 1.122,1267 0.203,1268 1.132,1269 0.858,1270 0.803,1271 1.089,1272 1.068,1273 0.119,1274 1.076,1275 0.706,1276 0.622,1277 0.998,1278 0.938,1280 0.965,1281 0.461,1282 0.399,1283 0.794,1284 0.747,1286 0.769,1287 3.761,1289 5.069,1290 2.398,1291 6.564,1292 4.595,1293 8.143,1294 6.581,1295 9.764,1299 13.041,1305 2.72,1314 20.27,1315 49.604,1316 95.23,1317 121.23,1318 140.881,1319 140.881,1320 140.881,1321 29.825,1322 6.509,1323 57.78,1324 57.78,1325 17,1326 12.019,1327 4.17,1328 3.322,1329 27.923,1330 58,1331 45,1332 0.24,1333 125.041,1334 207.72,1335 296.86,1336 5194,1337 3.4,1338 13.242,1339 0.697,1340 0.519,1341 12.372,1342 9.852,1343 9.22,1344 0.439,1345 0.273,1346 5.635,1347 8.833,1348 5.55,1349 4.599,1350 8.826,1351 5.723,1352 8.375,1353 0.289,1354 0.143,1355 7.741,1356 4.137,1357 6.885,1358 0.186,1359 0.075,1360 6.558,1361 2.785,1362 5.73,1363 0.122,1364 0.039,1365 5.435,1366 1.853,1367 4.313,1368 0.08,1369 0.021,1370 4.038,1371 1.143,1372 0.373,1373 58.128,1374 0.265,1375 19.068,1376 0.665,1377 100,1378 368.157,1379 111.207,1380 334.116,1381 445.33,1382 310,1383 116,1384 322.322,1385 126.482,1386 321.391,1387 463.8,1388 302,1389 5.1}
{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 6,238 9,241 1,242 1,243 3,250 6,253 1,255 2,258 5,264 2,269 4,272 9,276 1070,277 17.74,278 17.74,279 17.74,280 17.74,281 17.74,282 15.891,283 24.833,284 10.529,285 18.162,286 13.704,287 13.704,288 13.704,289 13.704,290 13.704,291 10.846,292 38.665,293 4.846,294 14.447,295 4.201,296 2.156,297 1.133,298 0.75,299 0.697,300 0.697,301 3.986,304 1,305 1,306 1,307 513,308 3.742,311 59.154,312 151.285,315 107.706,319 1.462,320 20.389,322 1,323 1,324 1,325 1,326 1,327 0.5,328 1,329 1,330 0.93,331 56,332 246,333 4.656,334 3.293,335 6.805,336 4.159,337 3.226,338 4.614,339 0.657,340 11.227,341 3.01,342 3.93,343 2.838,344 5.977,345 3.583,346 2.649,347 3.451,348 0.4,349 8.354,350 2.519,351 3.863,352 2.769,353 5.526,354 3.513,355 2.542,356 3.308,358 7.443,359 2.438,360 3.663,361 2.587,362 5.342,363 3.398,364 2.436,365 2.987,367 6.952,368 2.327,369 3.239,370 2.136,371 4.978,372 2.952,373 2.021,374 2.306,376 5.785,377 1.874,378 3.071,379 1.937,380 4.958,381 2.77,382 1.826,383 2.2,385 5.252,386 1.72,387 2.908,388 1.584,389 3.925,390 2.48,391 1.49,392 2.069,394 3.199,395 1.474,396 2.568,397 1.191,398 3.675,399 2.039,400 1.129,401 1.595,403 2.828,404 1.027,405 2.5,406 1.075,407 3.61,408 2,409 1,410 1.5,412 2.389,413 1,414 2.196,415 1.003,416 3.247,417 1.865,418 0.926,419 1.132,421 2.136,422 0.867,423 1.759,424 1,425 3.088,426 1.556,427 0.618,428 0.618,430 1.222,431 0.572,432 1.618,433 0.651,434 2.914,435 1.432,436 0.505,437 0.612,439 0.791,440 0.467,441 1.33,442 0.4,443 2.627,444 1.103,445 0.202,446 0.22,448 0.358,449 0.181,450 1,451 -0.155,452 2.618,453 0.611,454 -0.325,455 -0.41,457 -0.788,458 -0.302,459 0.735,460 -0.299,461 2.244,462 0.409,463 -0.52,464 -0.598,466 -1.136,467 -0.481,468 12.233,469 0.471,470 0.554,471 0.021,472 32.5,473 1.25,474 15,475 0.577,476 17.5,477 0.673,478 22.94,479 0.882,480 29.167,481 0.561,482 23.064,483 0.887,484 6.142,485 0.236,486 6.476,487 0.249,488 0.15,490 0.319,496 1.034,497 1.604,498 0.904,499 1.231,500 1.021,501 1.076,502 0.853,503 1.101,504 0.894,505 1.024,506 0.841,507 0.977,508 0.899,509 1.143,510 0.911,511 0.992,512 0.748,513 0.953,514 1.067,515 1.092,516 0.957,517 0.986,518 1.088,519 0.96,520 1.466,521 0.9,522 1.103,523 0.74,524 1.294,525 0.837,526 1.376,527 1.269,528 1.148,529 1.026,530 0.944,531 1.028,532 1.361,533 1.058,534 1.239,535 0.969,536 0.953,537 1.046,538 1.059,539 1.038,540 1.16,541 1.136,542 0.941,543 1.154,544 5,545 0.074,546 2.444,547 1.66,548 1.286,549 0.854,550 0.678,551 0.478,552 0.38,553 0.136,554 7233,555 16884,556 2.037,557 50,558 3,559 11,561 1,562 3,564 8,567 1.698,568 1.902,569 3.228,570 0.974,571 1,572 1,577 77.991,578 1.5,579 3.544,580 4.568,581 4.95,582 5.003,583 5.003,584 2.676,585 4.085,586 4.667,587 3.393,588 1102.79,589 8.128,590 13859,592 1,594 1,595 296.423,596 1.42,597 4.628,598 0.179,599 0.005,600 0.064,601 0.043,602 0.035,603 0.025,604 0.019,605 0.013,606 0.012,607 0.006,608 0.401,609 0.17,610 1,611 1.317,612 126.185,613 -0.083,614 -0.298,615 0.043,616 -0.081,617 -0.128,618 -0.016,619 0.174,620 0.066,621 0.084,622 0.01,623 0.037,624 0.021,625 0.098,626 -0.076,627 0.075,628 -0.017,629 0.07,630 0.018,631 0.056,632 -0.071,633 0.047,634 -0.045,635 -0.034,636 -0.012,637 -0.137,638 0.139,639 -0.066,640 0.129,641 -0.089,642 0.058,643 -0.259,644 -0.097,645 -0.149,646 -0.071,647 -0.113,648 -0.084,649 -0.181,650 0.099,651 -0.233,652 -0.025,653 -0.065,654 -0.111,655 -0.101,656 -0.015,657 -0.191,658 -0.129,659 0.005,660 -0.161,661 1.464,662 3.474,663 0.577,664 24.935,665 0.996,666 1.141,667 3.488,668 12.167,669 0.637,670 3.367,671 3.664,672 3.932,673 4.19,674 4.394,675 4.522,676 4.673,677 4.82,678 4.828,679 4.787,680 5.937,681 0.598,682 354.51,683 3.367,684 4.89,685 5.733,686 6.605,687 7.473,688 8.357,689 9.237,690 10.129,691 11.017,692 11.915,693 11.5,698 2,701 1,703 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 6,797 0.667,798 1,799 1,810 1,815 1,816 2,819 1,841 1,843 2,847 3,851 26,857 1,858 3,860 2,863 2,874 1.9,875 1,881 13.667,882 9.917,883 5.944,884 3.294,886 2.998,887 1.418,888 0.936,889 6.069,890 10.168,891 3.611,892 4.201,893 4.813,894 5.43,895 5.949,896 6.273,897 6.662,898 7.062,899 7.196,900 7.407,901 1,902 39,903 9.596,905 3.941,906 7.635,907 18.531,909 14.826,911 2.135,912 55.5,915 1,916 270.735,917 98.388,918 88.277,920 42.683,923 98.388,924 313.419,925 88.277,926 26.476,927 4.64,928 90.065,929 108.483,930 7.229,931 4.227,932 258.964,934 270.735,935 186.665,936 42.683,939 176.567,940 94.169,941 42.683,943 47.392,944 52.895,945 86.378,947 270.735,948 130.961,949 98.388,952 270.735,953 15.912,954 84.375,955 36.022,956 93.04,957 270.735,958 130.961,959 98.388,961 0.568,962 0.337,963 0.179,964 0.095,965 17,966 8,967 0.148,968 8,969 1,970 1.133,971 3.729,972 214.862,973 0.133,974 15,975 116.211,981 18.617,982 8.475,983 4.34,984 1.526,985 129.061,986 11.954,987 13.75,991 2.351,992 2.024,993 78.705,994 500.084,995 36,1007 51.774,1008 59.351,1009 0.263,1010 0.622,1011 0.801,1012 0.868,1013 0.878,1014 0.878,1015 4.828,1016 1.129,1017 5.707,1018 3.199,1019 4.344,1020 4.887,1021 0.781,1022 6.509,1023 4.235,1024 6.021,1025 1,1026 7.259,1027 2.828,1028 3.892,1029 4.677,1031 7.416,1032 3.73,1033 7.321,1034 0.926,1035 8.913,1036 2.389,1037 5.922,1038 7.114,1039 0.354,1040 10.518,1041 5.695,1042 8.662,1043 0.618,1044 10.627,1045 2.136,1046 6.312,1047 7.805,1049 12.286,1050 6.017,1051 10.039,1052 0.505,1053 12.383,1054 1.222,1055 7.793,1056 9.7,1057 0.157,1058 14.919,1059 7.44,1060 11.444,1061 0.202,1062 14.167,1063 0.791,1064 8.577,1065 10.827,1067 17.057,1068 8.147,1069 12.872,1070 -0.325,1071 15.973,1072 0.358,1073 9.844,1074 12.501,1075 0.069,1076 19.542,1077 9.355,1078 3.226,1079 -0.52,1080 17.797,1081 -0.788,1082 10.822,1083 13.844,1085 21.84,1086 10.252,1087 2.649,1088 11.227,1089 19.635,1090 -1.136,1091 12.008,1092 15.427,1093 0.03,1094 24.277,1095 11.375,1096 2.542,1097 8.354,1098 21.485,1099 4.614,1100 13.08,1101 16.871,1103 26.644,1104 12.367,1105 2.436,1106 7.443,1107 23.346,1108 3.451,1109 14.241,1110 18.418,1111 0.013,1112 29.066,1113 13.461,1114 2.021,1115 6.952,1116 25.215,1117 3.308,1118 15.359,1119 19.909,1121 31.461,1122 14.501,1123 1.826,1124 5.785,1125 27.091,1126 2.987,1127 16.516,1128 21.443,1129 0.006,1130 33.879,1131 15.587,1132 1.49,1133 5.252,1134 28.973,1135 2.306,1136 17.657,1137 22.954,1139 36.287,1140 16.652,1141 7195,1142 11124,1143 18.493,1144 33.103,1145 41.172,1146 41.64,1147 42.947,1148 41.092,1149 41.139,1150 53.225,1151 2.115,1152 115.87,1153 38.951,1154 5.503,1155 5.293,1156 6.607,1157 5.24,1158 5.226,1159 7.614,1160 1.315,1161 18.537,1162 5.01,1163 13.218,1164 1.47,1165 1.487,1166 1.534,1167 1.468,1168 1.469,1169 1.901,1170 0.076,1171 4.138,1172 1.391,1173 4.109,1174 4.166,1175 4.087,1176 3.925,1177 6.456,1178 3.957,1179 3.901,1180 3.936,1181 3.827,1182 3.83,1183 5.145,1184 3.828,1185 3.724,1186 3.791,1187 3.6,1188 3.55,1189 4.754,1190 3.548,1191 3.573,1192 3.646,1193 3.44,1194 3.405,1195 4.57,1196 3.401,1197 3.295,1198 3.383,1199 3.143,1200 3.093,1201 4.246,1202 3.095,1203 3.236,1204 3.329,1205 3.093,1206 2.998,1207 4.099,1208 3.006,1209 3.138,1210 3.211,1211 2.94,1212 2.871,1213 4.078,1214 2.882,1215 2.874,1216 3.009,1217 2.717,1218 2.735,1219 3.748,1220 2.715,1221 0.166,1222 0.118,1223 0.243,1224 0.149,1225 0.115,1226 4.656,1227 0.165,1228 3.293,1229 0.023,1230 6.805,1231 0.401,1232 4.159,1233 0.108,1234 3.226,1235 4.614,1236 0.657,1237 11.227,1238 3.01,1239 1.918,1240 1.885,1241 2.043,1242 2.062,1243 1.23,1244 2.043,1245 1.828,1246 1.779,1247 1.968,1248 1.983,1249 1.17,1250 1.989,1251 1.691,1252 1.625,1253 1.937,1254 1.9,1255 1.148,1256 1.913,1257 1.617,1258 1.555,1259 1.759,1260 1.814,1261 0.837,1262 1.812,1263 1.246,1264 1.166,1265 1.55,1266 1.508,1267 0.688,1268 1.526,1269 1.182,1270 1.1,1271 1.469,1272 1.461,1273 0.623,1274 1.472,1275 1.151,1276 1.067,1277 1.417,1278 1.413,1279 0.469,1280 1.412,1281 0.934,1282 0.821,1283 1.359,1284 1.239,1285 0.353,1286 1.308,1287 4.043,1289 5.342,1290 2.398,1291 6.838,1292 4.727,1293 8.427,1294 6.862,1295 10.069,1297 6.2,1302 9.474,1303 1.473,1305 6.588,1308 0.161,1314 31.111,1315 77.991,1316 184.307,1317 237.529,1318 257.403,1319 260.158,1320 260.158,1321 42.011,1322 7.169,1323 87.89,1324 87.89,1325 17,1326 12.441,1327 4.087,1328 3.17,1329 43.987,1330 90,1331 96,1332 0.238,1333 195.115,1334 323.79,1335 467.841,1336 11364,1338 18.518,1339 0.712,1340 0.595,1341 18.518,1342 15.476,1343 12.618,1344 0.451,1345 0.322,1346 8.887,1347 12.128,1348 8.601,1349 7.244,1350 12.618,1351 9.017,1352 10.91,1353 0.287,1354 0.173,1355 10.91,1356 6.585,1357 9.128,1358 0.183,1359 0.087,1360 9.128,1361 4.327,1362 7.521,1363 0.116,1364 0.042,1365 7.521,1366 2.723,1367 5.813,1368 0.073,1369 0.021,1370 5.813,1371 1.679,1372 0.365,1373 79.084,1374 0.233,1375 24.877,1376 0.678,1377 132,1378 351.396,1379 146.123,1380 343.576,1381 480.25,1382 324,1383 154,1384 363.797,1385 169.15,1386 368.515,1387 541.86,1388 347,1389 5}
{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 3,238 5,243 2,246 2,250 3,255 1,258 3,272 3,276 489,277 14.43,278 14.43,279 14.43,280 14.43,281 14.43,282 12.241,283 10.682,284 8.41,285 14.617,286 11.865,287 11.865,288 11.865,289 11.865,290 11.865,291 8.516,292 13.192,293 3.988,294 12.154,295 3.598,296 1.435,297 0.655,298 0.199,299 0.14,300 0.14,301 3.804,304 1,305 1,306 1,307 372,308 2.236,311 73.372,312 93.986,315 141.07,319 0.984,320 14.13,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 44.5,332 166,333 4.657,334 3.655,335 6.773,336 4.217,337 3.235,338 4.611,339 1.058,340 11.122,341 3.177,342 4.483,343 3.19,344 6.669,345 4.083,346 3.109,347 4.086,349 10.732,350 3.029,351 3.687,352 2.754,353 5.557,354 3.223,355 2.234,356 3.111,358 7.05,359 2.205,360 3.426,361 2.214,362 5.365,363 3,364 2.017,365 2.756,367 6.266,368 1.977,369 3.308,370 1.963,371 4.808,372 2.835,373 1.864,374 2.645,376 5.112,377 1.8,378 3.046,379 1.782,380 4.716,381 2.629,382 1.669,383 2.183,385 4.847,386 1.598,387 2.839,388 1.502,389 3.722,390 2.34,391 1.354,392 1.97,394 2.937,395 1.329,396 2.7,397 1.232,398 3.608,399 2.21,400 1.22,401 1.787,403 2.821,404 1.206,405 2.508,406 1.064,407 3.582,408 1.982,409 1,410 1.447,412 2.52,413 0.979,414 2.223,415 0.828,416 3.419,417 1.692,418 0.718,419 1.034,421 1.816,422 0.696,423 1.329,424 0.527,425 2.82,426 0.905,427 -0.077,428 -0.103,430 -0.201,431 -0.075,432 0.871,433 -0.208,434 2.377,435 0.454,436 -0.557,437 -0.706,439 -1.341,440 -0.539,441 0.787,442 -0.441,443 2.301,444 0.392,445 -0.581,446 -0.793,448 -1.455,449 -0.577,450 0.665,451 -0.749,452 2,453 0.155,454 -0.827,455 -1.151,457 -2.06,458 -0.807,459 0.516,460 -0.844,461 2,462 0.059,463 -0.922,464 -1.291,466 -2.306,467 -0.9,468 10.033,469 0.478,470 0.521,471 0.025,472 31.5,473 1.5,474 17.5,475 0.833,476 14,477 0.667,478 12.453,479 0.593,480 20.567,481 0.605,482 20.96,483 0.998,484 6.343,485 0.302,486 3.894,487 0.185,488 0.083,490 0.389,496 0.733,497 1.182,498 0.687,499 0.906,500 0.563,501 0.805,502 0.789,503 1.003,504 0.771,505 0.813,506 0.561,507 0.782,508 0.903,509 1.104,510 0.941,511 1.074,512 0.9,513 1.026,514 0.948,515 0.956,516 1.092,517 1.031,518 0.855,519 1.067,520 0.984,521 1.158,522 1.028,523 1.211,524 1.116,525 1.148,526 1.091,527 0.808,528 0.819,529 0.792,530 1.432,531 0.785,532 1.214,533 1.234,534 0.966,535 1.091,536 1.114,537 1.012,538 2.176,539 0.87,540 1.609,541 0.949,542 2.129,543 1.148,544 3.5,546 2.667,547 2.403,548 0.679,549 0.674,550 0.454,551 0.258,552 0.089,553 0.038,554 4340,555 11147,556 2.185,557 38.2,559 10,560 1,561 1,562 1,567 1.635,568 2.066,569 2.984,570 -0.338,572 1,574 1,577 50.626,578 1.489,579 3.652,580 4.433,581 4.889,582 4.948,583 4.948,584 2.332,585 4.107,586 4.37,587 3.071,588 644.947,589 7.499,590 6637.01,591 1,592 1,594 1,595 172.974,596 1.342,597 4.334,598 0.146,600 0.076,601 0.071,602 0.024,603 0.028,604 0.019,605 0.012,606 0.007,607 0.008,608 0.39,609 0.83,610 1,611 0.532,612 92.787,613 -0.042,614 -0.135,615 0.054,616 -0.018,617 -0.067,618 0.021,619 0.034,620 0.058,621 0.049,622 0.085,623 0.036,624 0.075,625 -0.011,626 -0.118,627 -0.06,628 -0.132,629 -0.019,630 -0.11,631 -0.028,632 0.023,633 -0.142,634 -0.069,635 0.029,636 -0.107,637 -0.014,638 -0.244,639 -0.057,640 -0.22,642 -0.159,643 0.187,644 0.157,645 0.245,646 0.196,647 -0.033,648 0.214,649 -0.079,650 -0.241,651 -0.01,652 -0.15,653 0.059,654 -0.085,655 -0.573,656 0.179,657 -0.557,658 -0.023,659 -0.424,660 -0.234,661 1.767,662 5.152,663 0.857,664 12.327,665 1.001,666 1.111,667 1.668,668 2.781,669 0.714,670 3.219,671 3.584,672 3.932,673 4.263,674 4.454,675 4.489,676 4.663,677 4.796,678 4.745,679 4.787,680 4.779,681 0.689,682 275.33,683 3.219,684 4.779,685 5.666,686 6.575,687 7.479,688 8.392,689 9.302,690 10.216,691 11.127,692 12.041,693 8.8,700 1,701 1,703 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 3,797 0.5,798 1,809 1,811 1,815 2,816 2,819 2,829 1,834 1,835 1,843 2,847 1,851 21,860 1,874 2.9,877 1,881 10.167,882 6.567,883 4.5,884 1.968,886 3.909,887 1.539,888 1.069,889 2.61,890 11.159,891 3.555,892 4.23,893 4.917,894 5.572,895 6.116,896 6.448,897 6.939,898 7.397,899 7.63,900 8.021,901 1,902 34,903 7.734,905 3.379,906 7.698,907 14.788,909 12.462,911 2.198,912 46.167,913 0.001,916 141.253,917 114.131,918 36.695,920 25.145,923 114.131,924 166.398,925 36.695,926 8.396,927 18.011,928 75.381,929 58.406,930 25.404,931 13.915,932 117.711,934 141.253,935 150.827,936 25.145,939 141.253,940 25.145,943 31.714,944 92.851,945 26.262,947 141.253,948 61.84,949 114.131,952 141.253,953 21.306,954 94.724,955 18.011,956 41.93,957 141.253,958 61.84,959 114.131,961 0.589,962 0.362,963 0.212,964 0.113,965 20,966 8,967 0.027,968 1,969 2,970 1.222,971 3.345,972 174.398,973 0.222,974 18,975 88.239,981 12.215,982 4.487,983 1.851,984 2.272,985 59.941,986 15.571,987 4.316,991 2.515,992 2.063,993 18.011,994 317.225,995 34,1000 12.152,1002 1.913,1004 0.513,1007 34.051,1008 37.78,1009 0.293,1010 0.718,1011 0.871,1012 0.961,1013 0.973,1014 0.973,1015 4.796,1016 1.22,1017 5.666,1018 2.937,1019 4.263,1020 4.916,1021 1.176,1022 6.538,1023 4.217,1024 6.038,1025 1,1026 7.259,1027 2.821,1028 3.892,1029 4.783,1031 7.535,1032 3.83,1033 7.372,1034 0.718,1035 8.955,1036 2.52,1037 5.905,1038 7.22,1039 1.255,1040 10.693,1041 5.817,1042 8.748,1043 -0.077,1044 10.713,1045 1.816,1046 6.399,1047 7.965,1049 12.554,1050 6.292,1051 10.16,1052 -0.557,1053 12.509,1054 -0.201,1055 7.883,1056 9.853,1057 1.338,1058 15.211,1059 7.754,1060 11.598,1061 -0.581,1062 14.332,1063 -1.341,1064 8.766,1065 11.014,1067 17.406,1068 8.617,1069 13.057,1070 -0.827,1071 16.175,1072 -1.455,1073 10.046,1074 12.676,1075 1.422,1076 19.894,1077 9.876,1078 3.235,1079 -0.922,1080 18.032,1081 -2.06,1082 11.095,1083 14.03,1085 22.214,1086 10.904,1087 3.109,1088 11.122,1089 19.899,1090 -2.306,1091 12.298,1092 15.6,1093 1.51,1094 24.643,1095 12.087,1096 2.234,1097 10.732,1098 21.774,1099 4.611,1100 13.414,1101 17.042,1103 27.01,1104 13.182,1105 2.017,1106 7.05,1107 23.656,1108 4.086,1109 14.589,1110 18.576,1111 1.599,1112 29.418,1113 14.337,1114 1.864,1115 6.266,1116 25.543,1117 3.111,1118 15.731,1119 20.056,1121 31.803,1122 15.459,1123 1.669,1124 5.112,1125 27.434,1126 2.756,1127 16.897,1128 21.577,1129 1.69,1130 34.203,1131 16.604,1132 1.354,1133 4.847,1134 29.328,1135 2.645,1136 18.05,1137 23.077,1139 36.594,1140 17.738,1141 4069,1142 6630,1143 16.414,1144 24.279,1145 37.421,1146 38.125,1147 38.107,1148 36.834,1149 36.837,1150 51.263,1151 2.117,1152 110.444,1153 35.993,1154 5.466,1155 5.655,1156 6.454,1157 5.255,1158 5.235,1159 7.611,1160 2.117,1161 18.184,1162 5.177,1163 7.639,1164 1.559,1165 1.589,1166 1.588,1167 1.535,1168 1.535,1169 2.136,1170 0.088,1171 4.602,1172 1.5,1173 4.153,1174 4.184,1175 4.117,1176 4.071,1177 7.429,1178 4.078,1179 3.953,1180 3.988,1181 3.919,1182 3.84,1183 4.961,1184 3.854,1185 3.497,1186 3.542,1187 3.418,1188 3.404,1189 4.87,1190 3.4,1191 3.411,1192 3.465,1193 3.312,1194 3.238,1195 4.325,1196 3.249,1197 3.123,1198 3.189,1199 3.005,1200 2.941,1201 4.112,1202 2.944,1203 2.833,1204 2.909,1205 2.724,1206 2.663,1207 3.943,1208 2.664,1209 2.794,1210 2.881,1211 2.569,1212 2.615,1213 3.754,1214 2.596,1215 2.613,1216 2.647,1217 2.539,1218 2.394,1219 3.539,1220 2.433,1221 0.194,1222 0.152,1223 0.282,1224 0.176,1225 0.135,1226 4.657,1227 0.192,1228 3.655,1229 0.044,1230 6.773,1231 0.463,1232 4.217,1233 0.132,1234 3.235,1235 4.611,1236 1.058,1237 11.122,1238 3.177,1239 1.947,1240 1.926,1241 2.037,1242 2.027,1243 1.175,1244 2.031,1245 1.823,1246 1.791,1247 1.917,1248 1.946,1249 0.999,1250 1.939,1251 1.65,1252 1.609,1253 1.792,1254 1.82,1255 0.877,1256 1.814,1257 1.395,1258 1.345,1259 1.585,1260 1.621,1261 0.651,1262 1.601,1263 1.102,1264 1.053,1265 1.29,1266 1.327,1267 0.343,1268 1.329,1269 0.932,1270 0.879,1271 1.158,1272 1.1,1273 0.202,1274 1.129,1275 0.803,1276 0.735,1277 1.053,1278 0.976,1279 0.181,1280 1.006,1281 0.682,1282 0.595,1283 1.009,1284 0.909,1285 0.086,1286 0.953,1287 3.892,1289 5.242,1290 3.045,1291 6.79,1292 5.533,1293 8.426,1294 7.711,1295 10.108,1297 2.005,1305 2.846,1314 23.413,1315 50.626,1316 124.18,1317 150.709,1318 166.219,1319 168.219,1320 168.219,1321 24.96,1322 7.25,1323 50.68,1324 50.68,1325 22,1326 12.554,1327 4.248,1328 3.459,1329 27.912,1330 61,1331 50,1332 0.233,1333 142.299,1334 238.55,1335 338.97,1336 13046,1338 14.397,1339 0.686,1340 0.548,1341 14.397,1342 11.499,1343 10.237,1344 0.427,1345 0.282,1346 6.686,1347 9.938,1348 6.509,1349 5.406,1350 10.237,1351 6.764,1352 9.406,1353 0.269,1354 0.146,1355 9.406,1356 5.124,1357 8.384,1358 0.168,1359 0.076,1360 8.384,1361 3.783,1362 7.502,1363 0.107,1364 0.04,1365 7.502,1366 2.795,1367 6.078,1368 0.072,1369 0.022,1370 6.078,1371 1.837,1372 0.351,1373 63.522,1374 0.247,1375 20.324,1376 0.68,1377 118,1378 317.359,1379 126.07,1380 315.201,1381 443.74,1382 296,1383 144,1384 339.172,1385 153.015,1386 347.992,1387 513.39,1388 328,1389 6.5}
{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 3,237 1,238 8,243 4,246 1,250 6,254 1,258 1,264 2,267 1,269 1,276 1213,277 17.922,278 17.922,279 17.922,280 17.922,281 17.922,282 15.746,283 18.997,284 10.554,285 18.585,286 14.227,287 14.227,288 14.227,289 14.227,290 14.227,291 10.912,292 21.153,293 4.957,294 15.422,295 3.353,296 1.078,297 0.494,298 0.208,299 0.208,300 0.208,301 4.016,302 1,305 1,306 1,307 553,308 3.536,311 66.456,312 150.725,315 114.279,319 1.317,320 41.631,323 1,324 0.83,325 1,326 0.6,328 1,329 1,330 0.78,331 60.583,332 265,333 4.714,334 4.038,335 6.907,336 4.258,337 3.294,338 4.67,339 2.095,340 11.539,341 3.175,342 4.256,343 3.489,344 6.343,345 3.807,346 2.878,347 3.9,348 0.776,349 9.524,350 2.692,351 4.109,352 3.223,353 6.047,354 3.688,355 2.728,356 3.664,357 0.4,358 8.648,359 2.558,360 3.719,361 3.179,362 5.738,363 3.307,364 2.364,365 3.105,367 7.429,368 2.202,369 3.45,370 2.777,371 5.009,372 2.959,373 2.101,374 2.765,376 5.856,377 1.734,378 3.112,379 2.668,380 4.883,381 2.729,382 1.796,383 2.263,385 5.049,386 1.627,387 2.878,388 2.206,389 4.334,390 2.483,391 1.573,392 2.019,394 3.971,395 1.404,396 2.801,397 1.846,398 4.163,399 2.342,400 1.4,401 1.925,403 3.664,404 1.305,405 2.618,406 1.772,407 3.809,408 2.312,409 1.377,410 1.615,412 3.006,413 1.223,414 2.337,415 1.579,416 3.551,417 1.86,418 0.949,419 1.257,421 2.282,422 0.858,423 1.797,424 1.217,425 3.364,426 1.578,427 0.664,428 0.724,430 1.493,431 0.587,432 1.72,433 0.92,434 2.826,435 1.391,436 0.471,437 0.561,439 0.903,440 0.405,441 1.279,442 0.715,443 2.764,444 0.838,445 -0.006,446 -0.007,448 -0.014,449 -0.004,450 1.065,451 0.527,452 2.432,453 0.65,454 -0.266,455 -0.313,457 -0.551,458 -0.236,459 0.797,460 0.24,461 2.359,462 0.494,463 -0.44,464 -0.521,466 -0.847,467 -0.264,468 13.433,469 0.498,470 0.754,471 0.028,472 34,473 1.259,474 16,475 0.593,476 18,477 0.667,478 24.068,479 0.891,480 29.167,481 0.694,482 26.718,483 0.99,484 6.889,485 0.255,486 6.029,487 0.223,488 0.261,490 0.365,494 1,496 0.744,497 1.144,498 0.484,499 0.767,500 0.662,501 0.773,502 0.938,503 1.005,504 0.584,505 0.67,506 0.73,507 0.712,508 0.871,509 1.093,510 0.976,511 0.962,512 0.846,513 0.946,514 1.02,515 1.14,516 0.708,517 0.893,518 1.089,519 0.94,520 1.119,521 1.081,522 0.409,523 0.733,524 1.342,525 0.779,526 1.29,527 1.367,528 0.662,529 0.939,530 1.494,531 0.967,532 1.248,533 1.075,534 0.652,535 0.902,536 1.308,537 1.005,538 1.15,539 0.893,540 0.901,541 0.854,542 1.013,543 0.892,544 5.5,545 0.123,546 3.778,547 2.194,548 2.129,549 1.285,550 0.801,551 0.585,552 0.417,553 0.198,554 7560,555 31134,556 1.992,557 35.7,559 11,561 1,562 3,567 1.709,568 1.82,569 3.224,570 1.055,572 1,577 85.632,578 2.039,579 4.315,580 4.898,581 5.184,582 5.184,583 5.184,584 2.658,585 4.607,586 4.72,587 3.374,588 1184.36,589 8.245,590 14907.7,595 226.477,596 1.541,597 4.659,598 0.19,599 0.009,600 0.092,601 0.05,602 0.052,603 0.031,604 0.019,605 0.016,606 0.013,607 0.009,608 0.481,609 0.33,610 1,611 1.539,612 131.576,613 -0.069,614 -0.097,615 -0.007,616 0.02,617 -0.089,618 0.025,619 -0.134,620 -0.008,621 0.02,622 0.162,623 -0.061,624 0.145,625 0.06,626 -0.065,627 -0.074,628 -0.024,629 0.037,630 -0.036,631 -0.042,632 -0.023,633 0.063,634 0.006,635 -0.074,636 -0.021,637 0.034,638 0.095,639 0.039,640 0.085,641 0.007,642 0.106,643 0.004,644 -0.046,645 -0.061,646 -0.07,647 0.024,648 -0.135,649 -0.188,650 -0.075,651 -0.026,652 -0.059,653 -0.166,654 -0.131,655 -0.096,656 0.033,657 0.079,658 0.123,659 -0.086,660 0.107,661 2.362,662 7.137,663 0.556,664 23.923,665 1.039,666 1.135,667 2.942,668 8.656,669 0.711,670 3.401,671 3.738,672 4.025,673 4.29,674 4.533,675 4.673,676 4.771,677 4.89,678 4.92,679 4.868,680 5.818,681 0.694,682 457.71,683 3.401,684 4.949,685 5.808,686 6.698,687 7.585,688 8.487,689 9.386,690 10.293,691 11.199,692 12.111,693 9.5,700 1,701 2,703 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 4,797 0.667,798 3,799 1,815 1,816 2,819 1,837 1,841 1,843 2,846 1,847 1,848 1,849 1,851 27,857 1,858 2,860 2,861 1,873 3,874 7.1,875 1,877 1,878 1,881 14.833,882 7.779,883 6.028,884 2.231,886 3.269,887 1.449,888 0.962,889 6.34,890 10.541,891 3.664,892 4.314,893 4.943,894 5.554,895 6.11,896 6.5,897 6.891,898 7.294,899 7.528,900 7.756,901 0.857,902 44,903 10.009,905 4.336,906 8.143,907 18.167,909 14.449,911 2.643,912 71.361,915 1,916 141.253,917 92.881,918 103.275,919 39.149,920 79.047,921 14.96,923 138.835,924 259.449,925 72.281,926 8.396,927 25.217,928 80.588,929 78.244,930 46.43,931 17.104,932 129.482,933 85.103,934 141.253,935 150.202,936 94.007,937 39.149,938 45.954,939 156.213,940 25.145,941 53.902,943 55.89,944 77.526,945 55.934,946 45.954,947 156.213,948 136.367,949 177.984,952 141.253,953 37.961,954 56.819,955 84.59,956 149.941,957 141.253,958 151.328,959 177.984,961 0.582,962 0.344,963 0.181,964 0.102,965 19,966 10,967 0.136,968 6,969 1,970 1.133,971 3.693,972 233.122,973 0.133,974 15,975 128.382,981 20.044,982 8.541,983 4.253,984 0.549,985 149.429,986 7.978,987 4.044,991 0.733,992 1.597,993 81.319,994 470.565,995 38,1000 12.504,1004 -0.679,1007 43.64,1008 47.653,1009 0.378,1010 0.8,1011 0.908,1012 0.961,1013 0.961,1014 0.961,1015 4.905,1016 1.4,1017 5.814,1018 3.971,1019 4.419,1020 5.001,1021 2.425,1022 6.663,1023 4.272,1024 6.142,1025 1.377,1026 7.404,1027 3.664,1028 4.111,1029 4.997,1031 7.65,1032 3.868,1033 7.477,1034 0.949,1035 9.097,1036 3.006,1037 6.047,1038 7.302,1039 3.697,1040 10.784,1041 5.807,1042 8.852,1043 0.664,1044 10.848,1045 2.282,1046 6.553,1047 8.124,1049 12.59,1050 6.241,1051 10.26,1052 0.471,1053 12.636,1054 1.493,1055 7.986,1056 9.935,1057 5.14,1058 15.259,1059 7.669,1060 11.692,1061 -0.006,1062 14.45,1063 0.903,1064 8.854,1065 11.129,1067 17.407,1068 8.483,1069 13.142,1070 -0.266,1071 16.283,1072 -0.014,1073 10.104,1074 12.757,1075 6.612,1076 19.918,1077 9.717,1078 3.294,1079 -0.44,1080 18.13,1081 -0.551,1082 11.136,1083 14.125,1085 22.219,1086 10.705,1087 2.878,1088 11.539,1089 19.988,1090 -0.847,1091 12.322,1092 15.684,1093 8.09,1094 24.675,1095 11.869,1096 2.728,1097 9.524,1098 21.855,1099 4.67,1100 13.428,1101 17.135,1103 27.047,1104 12.937,1105 2.364,1106 8.648,1107 23.73,1108 3.9,1109 14.596,1110 18.671,1111 9.57,1112 29.486,1113 14.078,1114 2.101,1115 7.429,1116 25.611,1117 3.664,1118 15.737,1119 20.163,1121 31.892,1122 15.185,1123 1.796,1124 5.856,1125 27.497,1126 3.105,1127 16.904,1128 21.693,1129 11.049,1130 34.328,1131 16.322,1132 1.573,1133 5.049,1134 29.388,1135 2.765,1136 18.062,1137 23.206,1139 36.751,1140 17.448,1141 7581,1142 15494,1143 18.611,1144 29.864,1145 43.574,1146 47.308,1147 46.09,1148 43.577,1149 43.192,1150 56.939,1151 6.542,1152 126.727,1153 39.542,1154 5.603,1155 6.038,1156 6.817,1157 5.307,1158 5.294,1159 7.67,1160 4.191,1161 19.207,1162 5.175,1163 16.18,1164 1.503,1165 1.631,1166 1.589,1167 1.503,1168 1.489,1169 1.963,1170 0.226,1171 4.37,1172 1.364,1173 4.134,1174 4.172,1175 6.88,1176 4.012,1177 8.201,1178 4.031,1179 3.893,1180 3.915,1181 4.119,1182 3.855,1183 7.429,1184 3.837,1185 3.624,1186 3.663,1187 3.944,1188 3.385,1189 6.457,1190 3.42,1191 3.497,1192 3.548,1193 3.569,1194 3.265,1195 4.996,1196 3.279,1197 3.25,1198 3.298,1199 3.38,1200 3.012,1201 4.923,1202 3.034,1203 3.021,1204 3.104,1205 3.238,1206 2.915,1207 4.634,1208 2.872,1209 2.893,1210 2.954,1211 3.16,1212 2.789,1213 4.366,1214 2.763,1215 2.877,1216 2.922,1217 2.813,1218 2.615,1219 4.248,1220 2.65,1221 0.163,1222 0.139,1223 0.238,1224 0.147,1225 0.114,1226 4.714,1227 0.161,1228 4.038,1229 0.072,1230 6.907,1231 0.398,1232 4.258,1233 0.109,1234 3.294,1235 4.67,1236 2.095,1237 11.539,1238 3.175,1239 1.956,1240 1.936,1241 1.996,1242 2.066,1243 1.174,1244 2.048,1245 1.841,1246 1.826,1247 1.887,1248 1.912,1249 1.049,1250 1.922,1251 1.498,1252 1.426,1253 1.738,1254 1.788,1255 0.946,1256 1.766,1257 1.461,1258 1.403,1259 1.693,1260 1.742,1261 0.754,1262 1.729,1263 1.205,1264 1.178,1265 1.302,1266 1.494,1267 0.261,1268 1.436,1269 0.995,1270 0.949,1271 1.179,1272 1.243,1273 0.256,1274 1.226,1275 0.868,1276 0.824,1277 1.129,1278 1.149,1279 0.172,1280 1.176,1281 0.855,1282 0.758,1283 1.085,1284 1.015,1285 0.126,1286 1.058,1287 4.078,1289 5.407,1290 2.398,1291 6.932,1292 4.727,1293 8.558,1294 6.823,1295 10.241,1296 3.304,1297 1.692,1298 6.201,1299 15.137,1302 8.767,1303 -0.363,1305 5.044,1306 4.853,1314 29.154,1315 85.632,1316 181.216,1317 205.722,1318 217.722,1319 217.722,1320 217.722,1321 68.247,1322 7.272,1323 88.41,1324 88.41,1325 17,1326 12.626,1327 4.17,1328 3.322,1329 46.543,1330 89,1331 120,1332 0.25,1333 188.852,1334 322.69,1335 452.558,1336 12800,1337 7.1,1338 19.552,1339 0.724,1340 0.609,1341 20.181,1342 16.435,1343 12.918,1344 0.445,1345 0.31,1346 7.712,1347 11.365,1348 7.489,1349 6.157,1350 13.356,1351 8.977,1352 11.669,1353 0.285,1354 0.169,1355 12.426,1356 6.912,1357 9.859,1358 0.179,1359 0.083,1360 10.171,1361 4.56,1362 7.964,1363 0.111,1364 0.044,1365 8.532,1366 3.189,1367 6.314,1368 0.069,1369 0.022,1370 6.491,1371 2.012,1372 0.38,1373 94.181,1374 0.232,1375 25.445,1376 0.728,1377 140,1378 554.546,1379 239.385,1380 566.313,1381 730.5,1382 524,1383 166,1384 471.144,1385 225.954,1386 489.793,1387 717.91,1388 458,1389 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 7,237 1,238 6,241 1,243 1,246 4,249 1,250 4,254 1,255 1,258 2,263 2,264 4,267 1,272 2,276 1481,277 19.784,278 19.784,279 19.784,280 19.784,281 19.784,282 17.602,283 16.683,284 11.579,285 20.28,286 15.708,287 15.708,288 15.708,289 15.708,290 15.708,291 12.397,292 16.542,293 5.383,294 16.542,295 3.766,296 1.491,297 0.625,298 0.458,299 0.458,300 0.458,301 4.103,302 1,305 1,306 1,307 661,308 2.915,311 81.259,312 276.74,319 1.565,320 41.054,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 64.333,332 308,333 4.642,334 3.728,335 7.017,336 4.284,337 3.304,338 4.366,339 2.035,340 12.022,341 3.236,342 4.194,343 3.41,344 6.316,345 3.838,346 2.873,347 3.814,348 0.642,349 9.467,350 2.767,351 3.952,352 3.155,353 6.022,354 3.714,355 2.757,356 3.268,357 0.129,358 8.534,359 2.63,360 3.757,361 2.764,362 5.773,363 3.427,364 2.452,365 3.099,367 7.757,368 2.385,369 3.592,370 2.613,371 5.23,372 3.162,373 2.248,374 2.888,376 6.381,377 2.03,378 3.238,379 2.287,380 4.846,381 2.833,382 1.91,383 2.419,385 5.243,386 1.708,387 2.924,388 2.174,389 4.508,390 2.525,391 1.577,392 2.095,394 4.209,395 1.463,396 2.853,397 1.641,398 4.131,399 2.414,400 1.478,401 1.944,403 3.484,404 1.376,405 2.653,406 1.425,407 3.923,408 2.263,409 1.302,410 1.671,412 3.125,413 1.241,414 2.5,415 1.403,416 3.83,417 1.984,418 1,419 1.5,421 2.766,422 0.983,423 2.322,424 1.096,425 3.436,426 1.949,427 1,428 1.257,430 2.275,431 0.939,432 2.252,433 1.077,434 3.414,435 1.942,436 0.996,437 1.16,439 2.136,440 0.936,441 2,442 1,443 3.247,444 1.762,445 0.797,446 1,448 2.041,449 0.767,450 1.469,451 0.803,452 2.846,453 1.143,454 0.221,455 0.249,457 0.309,458 0.197,459 1.299,460 0.41,461 2.542,462 0.908,468 13.667,469 0.471,470 0.678,471 0.023,472 36.75,473 1.267,474 17.5,475 0.603,476 19.25,477 0.664,478 25.676,479 0.885,480 31.333,481 0.653,482 28.563,483 0.985,484 7.265,485 0.251,486 6.814,487 0.235,488 0.122,490 0.359,494 1,496 0.681,497 1.147,498 0.595,499 0.959,500 0.607,501 0.873,502 0.759,503 1.05,504 0.716,505 0.904,506 0.64,507 0.901,508 0.811,509 1.048,510 0.893,511 0.976,512 0.75,513 0.965,514 0.88,515 1.07,516 0.84,517 1.049,518 0.929,519 1.039,520 0.965,521 0.948,522 0.753,523 0.841,524 0.954,525 0.912,526 0.825,527 0.89,528 0.804,529 0.892,530 0.767,531 0.979,532 0.788,533 1.165,534 0.823,535 1.095,536 0.814,537 1.103,538 1.086,539 1.159,540 0.998,541 1.069,542 1.181,543 1.096,544 5,545 0.149,546 3.778,547 2.028,548 1.772,549 1.254,550 0.603,551 0.466,552 0.439,553 0.283,554 9839,555 34431,556 2.09,557 39.6,559 10,561 2,562 2,563 1,564 4,567 1.726,568 1.955,569 3.328,570 0.296,571 1,572 1,577 87.319,578 1.819,579 4.094,580 4.96,581 5.127,582 5.127,583 5.127,584 2.86,585 4.392,586 4.823,587 3.495,588 1418.97,589 8.442,590 18614.6,592 1,594 1,595 268.078,596 1.416,597 4.788,598 0.156,599 0.008,600 0.084,601 0.042,602 0.037,603 0.027,604 0.014,605 0.011,606 0.013,607 0.012,608 0.404,609 0.33,610 1,611 0.897,612 145.011,613 -0.048,614 -0.075,615 0.012,616 0.002,617 -0.036,618 0.02,619 -0.051,620 -0.028,621 -0.001,622 0.041,623 -0.009,624 0.018,625 0.003,626 -0.067,627 -0.014,628 0.008,629 0.059,630 0.018,631 0.013,632 -0.06,633 -0.012,634 -0.095,636 -0.08,637 -0.103,638 -0.003,639 -0.003,640 0.073,641 -0.104,642 0.047,643 -0.024,644 0.073,645 -0.01,646 0.033,647 -0.044,648 -0.012,649 0.024,650 -0.136,651 0.03,652 -0.105,653 -0.025,654 -0.092,655 -0.003,656 -0.064,657 -0.005,658 -0.079,659 -0.064,660 -0.083,661 2.13,662 6.624,663 0.793,664 28.145,665 1.022,666 1.136,667 2.807,668 7.881,669 0.684,670 3.497,671 3.829,672 4.143,673 4.431,674 4.673,675 4.812,676 4.977,677 5.124,678 5.247,679 5.288,680 6.187,681 0.666,682 415.89,683 3.497,684 5.043,685 5.911,686 6.801,687 7.69,688 8.592,689 9.491,690 10.399,691 11.304,692 12.216,693 10.4,700 1,701 1,703 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 5,797 1,798 2,799 1,807 1,810 1,815 1,816 3,830 1,841 1,843 4,848 1,849 1,851 29,857 1,858 5,863 1,864 1,873 2,874 4.2,875 1,877 1,881 14.833,882 8.536,883 6.444,884 2.869,886 2.765,887 1.365,888 0.972,889 5.791,890 10.334,891 3.75,892 4.334,893 4.923,894 5.509,895 6.014,896 6.354,897 6.772,898 7.194,899 7.569,900 7.823,901 1,902 48,903 10.767,905 4.721,906 8.01,907 20.092,909 16.748,911 2.51,912 72.778,915 1,916 200.109,917 96.819,918 70.021,919 39.149,920 67.828,921 14.96,923 96.819,924 307.086,925 84.982,927 12.405,928 80.588,929 103.626,930 58.835,931 17.717,932 176.567,933 39.149,934 200.109,935 166.841,936 82.788,937 39.149,939 167.984,940 72.229,941 42.683,943 52.247,944 64.359,945 89.383,947 215.069,948 137.85,949 135.968,952 200.109,953 41.248,954 58.695,955 16.663,956 172.171,957 200.109,958 152.81,959 135.968,961 0.58,962 0.35,963 0.191,964 0.104,965 22,966 10,967 0.078,968 4,970 1,971 3.931,972 265.982,974 23,975 136.881,981 19.807,982 8.478,983 3.98,985 136.147,986 9.312,987 12.726,988 3.078,991 2.854,993 59.346,994 488.886,995 41.5,1000 11.739,1004 -0.27,1007 49.069,1008 54.516,1009 0.326,1010 0.733,1011 0.888,1012 0.918,1013 0.918,1014 0.918,1015 4.992,1016 1.478,1017 5.9,1018 4.209,1019 4.511,1020 5.021,1021 2.181,1022 6.744,1023 4.417,1024 6.191,1025 1.302,1026 7.479,1027 3.484,1028 4.111,1029 4.783,1030 1.668,1031 7.738,1032 3.964,1033 7.498,1034 1,1035 9.163,1036 3.125,1037 6.129,1038 7.183,1039 3.202,1040 10.877,1041 5.973,1042 8.842,1043 1,1044 10.91,1045 2.766,1046 6.581,1047 7.804,1048 3.285,1049 12.741,1050 6.393,1051 10.222,1052 0.996,1053 12.698,1054 2.275,1055 8.057,1056 9.662,1057 4.455,1058 15.413,1059 7.856,1060 11.627,1061 0.797,1062 14.515,1063 2.136,1064 8.893,1065 10.692,1066 4.821,1067 17.63,1068 8.671,1069 13.052,1070 0.221,1071 16.354,1072 2.041,1073 10.164,1074 12.325,1075 5.791,1076 20.158,1077 9.925,1078 3.304,1080 18.209,1081 0.309,1082 11.178,1083 13.564,1084 6.307,1085 22.526,1086 10.922,1087 2.873,1088 12.022,1089 20.077,1091 12.374,1092 15.098,1093 7.166,1094 25.013,1095 12.101,1096 2.757,1097 9.467,1098 21.956,1099 4.366,1100 13.472,1101 16.444,1102 7.764,1103 27.444,1104 13.182,1105 2.452,1106 8.534,1107 23.843,1108 3.814,1109 14.645,1110 17.935,1111 8.56,1112 29.923,1113 14.338,1114 2.248,1115 7.757,1116 25.738,1117 3.268,1118 15.782,1119 19.338,1120 9.206,1121 32.383,1122 15.459,1123 1.91,1124 6.381,1125 27.64,1126 3.099,1127 16.952,1128 20.811,1129 9.966,1130 34.862,1131 16.612,1132 1.577,1133 5.243,1134 29.547,1135 2.888,1136 18.11,1137 22.244,1138 10.639,1139 37.335,1140 17.754,1141 9519,1142 17925,1143 21.383,1144 32.824,1145 48.388,1146 49.634,1147 50.33,1148 48.056,1149 47.829,1150 61.46,1151 5.612,1152 139.499,1153 45.316,1154 5.642,1155 5.728,1156 6.819,1157 5.355,1158 5.304,1159 7.366,1160 3.579,1161 19.548,1162 5.236,1163 14.306,1164 1.512,1165 1.551,1166 1.573,1167 1.502,1168 1.495,1169 1.921,1170 0.175,1171 4.359,1172 1.416,1173 4.083,1174 4.124,1175 4.084,1176 3.976,1177 8.201,1178 3.987,1179 3.863,1180 3.901,1181 3.915,1182 3.769,1183 7.429,1184 3.769,1185 3.796,1186 3.845,1187 3.73,1188 3.637,1189 6.45,1190 3.65,1191 3.632,1192 3.693,1193 3.611,1194 3.413,1195 5.075,1196 3.445,1197 3.423,1198 3.464,1199 3.371,1200 3.2,1201 4.92,1202 3.222,1203 3.111,1204 3.206,1205 3.236,1206 2.941,1207 4.84,1208 2.91,1209 2.953,1210 3.012,1211 2.866,1212 2.808,1213 4.245,1214 2.803,1215 2.898,1216 2.957,1217 2.8,1218 2.733,1219 4.157,1220 2.733,1221 0.145,1222 0.116,1223 0.219,1224 0.134,1225 0.103,1226 4.642,1227 0.136,1228 3.728,1229 0.064,1230 7.017,1231 0.376,1232 4.284,1233 0.101,1234 3.304,1235 4.366,1236 2.035,1237 12.022,1238 3.236,1239 1.926,1240 1.904,1241 2.055,1242 2.049,1243 1.43,1244 2.053,1245 1.855,1246 1.814,1247 1.956,1248 1.982,1249 1.099,1250 1.978,1251 1.737,1252 1.69,1253 1.841,1254 1.906,1255 0.895,1256 1.892,1257 1.438,1258 1.4,1259 1.617,1260 1.711,1261 0.825,1262 1.678,1263 1.235,1264 1.202,1265 1.513,1266 1.547,1267 0.744,1268 1.51,1269 1.192,1270 1.109,1271 1.422,1272 1.376,1273 0.576,1274 1.429,1275 1.153,1276 1.064,1277 1.278,1278 1.372,1279 0.374,1280 1.364,1281 0.86,1282 0.804,1283 1.113,1284 1.097,1285 0.18,1286 1.101,1287 4.174,1289 5.501,1290 2.398,1291 7.033,1292 4.727,1293 8.654,1294 6.862,1295 10.323,1298 5.901,1299 14.624,1302 9.071,1303 1.998,1308 0.097,1309 1.65,1314 31.962,1315 87.319,1316 196.515,1317 238.078,1318 246.078,1319 246.078,1320 246.078,1321 64.387,1322 7.569,1323 95,1324 95,1325 23,1326 12.731,1327 4.248,1328 3.392,1329 44.382,1330 101,1331 131,1332 0.208,1333 198.192,1334 342.52,1335 475.349,1336 17620,1337 4.2,1338 20.38,1339 0.703,1340 0.56,1341 20.01,1342 16.233,1343 14.08,1344 0.44,1345 0.301,1346 9.145,1347 13.139,1348 8.985,1349 7.347,1350 13.958,1351 9.647,1352 12.5,1353 0.278,1354 0.163,1355 12.369,1356 7.329,1357 10.935,1358 0.176,1359 0.088,1360 10.842,1361 5.445,1362 9.155,1363 0.11,1364 0.047,1365 8.762,1366 3.902,1367 7.275,1368 0.069,1369 0.026,1370 7.325,1371 2.763,1372 0.317,1373 92.242,1374 0.216,1375 27.074,1376 0.598,1377 154,1378 539.113,1379 186.024,1380 522.075,1381 688.07,1382 486,1383 184,1384 469.193,1385 210.98,1386 476.953,1387 699.58,1388 449,1389 5.1}
{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 18,237 1,238 8,241 1,243 10,246 12,250 4,253 1,255 2,258 10,263 1,264 1,267 1,268 1,272 4,276 1554,277 24.479,278 24.479,279 24.479,280 24.479,281 24.479,282 21.802,283 28.268,284 13.618,285 25.037,286 20.655,287 20.655,288 20.655,289 20.655,290 20.655,291 16.241,292 43.083,293 6.255,294 21.485,295 4.419,296 2.197,297 0.988,298 0.627,299 0.496,300 0.365,301 4.332,306 1,307 655,308 3.606,311 83.28,312 145.816,313 35.366,315 304.128,316 103.607,317 57.287,318 460.14,319 0.986,320 31.918,323 1,324 0.67,325 1,326 0.8,327 0.5,328 1,329 1,330 0.85,331 75,332 282,333 5.131,334 4.031,335 8.018,336 4.73,337 3.785,338 5.285,339 1.157,340 15.502,341 3.602,342 4.747,343 3.722,344 7.443,345 4.418,346 3.454,347 4.71,348 1.081,349 13.599,350 3.307,351 4.507,352 3.378,353 6.984,354 4.144,355 3.178,356 3.952,357 0.86,358 11.874,359 3.072,360 4.188,361 3.256,362 6.655,363 3.852,364 2.872,365 3.612,366 0.473,367 10.548,368 2.807,369 3.861,370 2.75,371 6.172,372 3.462,373 2.505,374 3.412,375 0.4,376 8.784,377 2.39,378 3.691,379 2.678,380 6.05,381 3.365,382 2.389,383 3.043,384 0.297,385 8.42,386 2.333,387 3.521,388 2.532,389 5.844,390 3.181,391 2.236,392 2.862,394 7.654,395 2.107,396 3.408,397 2.327,398 5.654,399 3.06,400 2.07,401 2.62,403 7.069,404 2.039,405 3.126,406 2.011,407 5.264,408 2.736,409 1.766,410 2.23,412 5.664,413 1.703,414 2.932,415 1.901,416 4.97,417 2.54,418 1.589,419 2.097,421 4.926,422 1.508,423 2.867,424 1.705,425 4.719,426 2.428,427 1.435,428 1.997,430 4.264,431 1.418,432 2.855,433 1.494,434 4.14,435 2.38,436 1.381,437 1.957,439 3.045,440 1.378,441 2.662,442 1.399,443 4.027,444 2.198,445 1.228,446 1.722,448 2.917,449 1.19,450 2.371,451 1.286,452 3.853,453 2.063,454 1.138,455 1.342,457 2.822,458 1.044,459 2.126,460 1.149,461 3.658,462 1.879,463 0.939,464 1.064,466 2.394,467 0.876,468 16.6,469 0.474,470 1.022,471 0.029,472 44.25,473 1.264,474 19.5,475 0.557,476 24.75,477 0.707,478 38.341,479 1.095,480 36.2,481 0.593,482 38.554,483 1.102,484 8.525,485 0.244,486 8.555,487 0.244,488 0.11,489 0.03,490 0.47,496 0.835,497 1.254,498 0.724,499 1.006,500 0.653,501 0.868,502 1.08,503 0.99,504 0.771,505 0.782,506 0.702,507 0.734,508 1.178,509 0.948,510 0.845,511 0.816,512 0.866,513 0.782,514 1.13,515 1.078,516 0.889,517 0.967,518 0.838,519 0.905,520 1.163,521 1.028,522 1.047,523 1.013,524 0.793,525 1.007,526 0.983,527 1.072,528 1.033,529 1.076,530 0.852,531 1.062,532 0.911,533 1.07,534 1.128,535 1.151,536 1.067,537 1.171,538 0.945,539 1.048,540 1.216,541 1.192,542 1.274,543 1.241,544 5.5,545 0.025,546 4.667,547 4.84,548 3.922,549 2.588,550 2.086,551 0.973,552 0.411,553 0.147,554 14300,555 32464,556 2.268,557 42.6,559 18,560 1,562 2,565 3,566 2,567 1.784,568 2.111,569 2.956,570 0.134,577 92.203,578 1.512,579 3.734,580 4.943,581 5.303,582 5.435,583 5.566,584 2.248,585 4.879,586 5.104,587 3.062,588 1821.68,589 9.056,590 24785.1,595 361.775,596 1.549,597 5.058,598 0.131,599 0.006,600 0.069,601 0.057,602 0.04,603 0.027,604 0.024,605 0.015,606 0.012,607 0.009,608 0.39,609 0.5,610 0.75,611 0.74,612 176.229,613 -0.039,614 -0.127,615 0.085,616 -0.022,617 -0.069,618 0.039,619 0.025,620 0.11,621 0.133,622 0.176,623 0.003,624 0.171,625 0.021,626 0.123,627 0.086,628 0.145,629 -0.019,630 0.13,631 -0.05,632 -0.027,633 0.031,634 0.007,635 -0.01,636 0.025,637 -0.078,638 0.018,639 -0.099,640 -0.05,641 -0.007,642 -0.072,643 -0.06,644 -0.083,645 -0.068,646 -0.089,647 0.009,648 -0.08,649 -0.002,650 -0.123,651 -0.134,652 -0.156,653 0.019,654 -0.163,655 -0.054,656 -0.137,657 -0.187,658 -0.192,659 -0.098,660 -0.208,661 2.01,662 6.322,663 0.829,664 25.211,665 1.002,666 1.118,667 2.464,668 6.07,669 0.685,670 3.761,671 4.234,672 4.727,673 5.226,674 5.652,675 6.045,676 6.441,677 6.802,678 7.081,679 7.347,680 5.059,681 0.656,682 466.58,683 3.761,684 5.398,685 6.365,686 7.357,687 8.348,688 9.353,689 10.354,690 11.364,691 12.369,692 13.381,693 6.6,695 1,700 1,701 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 4,797 0.125,798 3,811 2,815 3,816 4,817 1,819 6,820 2,821 1,822 7,838 1,842 2,843 1,847 3,851 35,858 2,860 2,861 2,863 3,865 1,874 4.9,877 1,878 2,881 16.583,882 12.067,883 7.347,884 3.789,886 5.329,887 1.503,888 1.089,889 3.859,890 15.919,891 4.025,892 4.787,893 5.612,894 6.453,895 7.231,896 7.931,897 8.645,898 9.319,899 9.871,900 10.431,901 0.667,902 85,903 13.078,905 6.105,906 7.545,907 25.55,909 23.506,911 2.045,912 71.583,916 282.506,917 138.499,918 39.82,920 47.145,923 138.499,924 329.651,925 39.82,926 28.105,927 22.651,928 93.821,929 51.849,930 20.461,931 20.348,932 270.735,934 282.506,935 178.319,936 47.145,939 247.193,940 60.458,941 22,943 53.285,944 125.034,947 282.506,948 86.964,949 138.499,952 282.506,953 34.584,954 107.713,955 36.022,956 47.145,957 282.506,958 86.964,959 138.499,961 0.603,962 0.395,963 0.252,964 0.152,965 43,966 18,967 0.029,968 2,969 10,970 1.586,971 4.034,972 446.328,973 0.69,974 26,975 177.525,981 20.312,982 6.65,983 2.213,984 8.778,985 83.166,986 16.886,991 1.884,992 4.7,993 36.022,994 507.97,995 55,1000 13.322,1004 0.004,1007 61.109,1008 68.189,1009 0.255,1010 0.63,1011 0.833,1012 0.894,1013 0.916,1014 0.938,1015 5.357,1016 2.07,1017 6.425,1018 7.654,1019 4.92,1020 5.476,1021 2.133,1022 7.461,1023 4.844,1024 6.635,1025 1.766,1026 8.118,1027 7.069,1028 4.796,1029 5.602,1031 8.844,1032 4.675,1033 8.027,1034 1.589,1035 9.919,1036 5.664,1037 6.744,1038 7.923,1039 2.149,1040 12.085,1041 6.587,1042 9.463,1043 1.435,1044 11.786,1045 4.926,1046 7.468,1047 8.919,1049 14.301,1050 7.255,1051 10.937,1052 1.381,1053 13.695,1054 4.264,1055 8.937,1056 10.764,1057 2.286,1058 17.129,1059 8.689,1060 12.438,1061 1.228,1062 15.635,1063 3.045,1064 10.007,1065 12.137,1067 19.656,1068 9.702,1069 13.961,1070 1.138,1071 17.596,1072 2.917,1073 11.334,1074 13.829,1075 2.465,1076 22.381,1077 10.988,1078 3.785,1079 0.939,1080 19.575,1081 2.822,1082 12.541,1083 15.361,1085 25.023,1086 12.139,1087 3.454,1088 15.502,1089 21.568,1090 2.394,1091 13.834,1092 17.009,1093 2.668,1094 27.73,1095 13.386,1096 3.178,1097 13.599,1098 23.573,1099 5.285,1100 15.094,1101 18.606,1103 30.416,1104 14.592,1105 2.872,1106 11.874,1107 25.587,1108 4.71,1109 16.385,1110 20.245,1111 2.888,1112 33.125,1113 15.834,1114 2.505,1115 10.548,1116 27.61,1117 3.952,1118 17.669,1119 21.871,1121 35.831,1122 17.065,1123 2.389,1124 8.784,1125 29.639,1126 3.612,1127 18.965,1128 23.512,1129 3.12,1130 38.547,1131 18.311,1132 2.236,1133 8.42,1134 31.674,1135 3.412,1136 20.262,1137 25.151,1139 41.264,1140 19.555,1141 12834,1142 19467,1143 28.668,1144 41.762,1145 67.299,1146 68.73,1147 71.374,1148 67.01,1149 67.063,1150 87.688,1151 8.536,1152 226.373,1153 64.499,1154 6.131,1155 6.031,1156 7.696,1157 5.862,1158 5.785,1159 8.285,1160 2.315,1161 24.331,1162 5.602,1163 14.98,1164 1.602,1165 1.636,1166 1.699,1167 1.595,1168 1.597,1169 2.088,1170 0.203,1171 5.39,1172 1.536,1173 4.366,1174 4.389,1175 4.351,1176 4.286,1177 7.429,1178 4.299,1179 4.019,1180 4.046,1181 3.986,1182 3.953,1183 5.093,1184 3.957,1185 3.852,1186 3.888,1187 3.781,1188 3.692,1189 4.812,1190 3.707,1191 3.726,1192 3.764,1193 3.658,1194 3.623,1195 4.7,1196 3.624,1197 3.488,1198 3.552,1199 3.401,1200 3.305,1201 4.465,1202 3.324,1203 3.397,1204 3.461,1205 3.272,1206 3.228,1207 4.409,1208 3.23,1209 3.27,1210 3.347,1211 3.134,1212 3.066,1213 4.253,1214 3.067,1215 3.221,1216 3.293,1217 3.042,1218 2.985,1219 4.076,1220 2.985,1221 0.122,1222 0.096,1223 0.191,1224 0.113,1225 0.09,1226 5.131,1227 0.126,1228 4.031,1229 0.028,1230 8.018,1231 0.369,1232 4.73,1233 0.086,1234 3.785,1235 5.285,1236 1.157,1237 15.502,1238 3.602,1239 2.036,1240 2.028,1241 2.08,1242 2.088,1243 1.366,1244 2.075,1245 1.955,1246 1.93,1247 2.053,1248 2.068,1249 1.349,1250 2.07,1251 1.889,1252 1.856,1253 1.955,1254 2.019,1255 1.166,1256 2.003,1257 1.787,1258 1.751,1259 1.944,1260 1.937,1261 1.137,1262 1.944,1263 1.39,1264 1.33,1265 1.675,1266 1.663,1267 0.845,1268 1.656,1269 1.379,1270 1.319,1271 1.604,1272 1.634,1273 0.758,1274 1.632,1275 1.293,1276 1.223,1277 1.577,1278 1.55,1279 0.67,1280 1.553,1281 1.195,1282 1.115,1283 1.54,1284 1.493,1285 0.591,1286 1.517,1287 4.443,1289 5.878,1290 3.434,1291 7.529,1292 6.009,1293 9.284,1294 8.32,1295 11.098,1297 5.922,1303 1.286,1305 6.64,1306 13.258,1308 -0.335,1310 -0.76,1314 40.025,1315 92.203,1316 227.775,1317 301.51,1318 323.51,1319 331.51,1320 339.51,1321 51.729,1322 10.59,1323 69.45,1324 69.45,1325 46,1326 13.834,1327 4.7,1328 3.807,1329 39.627,1330 112,1331 104,1332 0.19,1333 230.101,1334 383.55,1335 553.206,1336 628354,1338 23.637,1339 0.675,1340 0.568,1341 23.637,1342 19.884,1343 17.08,1344 0.407,1345 0.292,1346 12.073,1347 16.441,1348 11.765,1349 9.596,1350 17.08,1351 12.253,1352 16.322,1353 0.24,1354 0.149,1355 16.322,1356 10.137,1357 15.926,1358 0.142,1359 0.077,1360 15.926,1361 8.596,1362 15.835,1363 0.086,1364 0.04,1365 15.835,1366 7.334,1367 14.487,1368 0.051,1369 0.02,1370 14.487,1371 5.703,1372 0.273,1373 106.923,1374 0.187,1375 29.807,1376 0.616,1377 220,1378 539.163,1379 239.789,1380 517.065,1381 750.66,1382 492,1383 290,1384 592.552,1385 312.869,1386 597.473,1387 923.77,1388 568,1389 9.566}
{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 2,238 6,239 1,243 3,248 1,249 1,250 2,252 1,253 2,255 1,258 4,260 1,272 4,273 2,276 1442,277 19.74,278 19.74,279 19.74,280 19.74,281 19.74,282 17.803,283 29.209,284 10.888,285 20.127,286 16.718,287 16.718,288 16.718,289 16.718,290 16.718,291 13.626,292 44.125,293 5.146,294 17.455,295 3.612,296 1.306,297 0.639,298 0.356,299 0.356,300 0.356,301 4.136,305 1,306 1,307 665,308 3.162,309 45.121,311 68.052,312 313.577,316 124.173,319 1.307,320 70.648,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 69.5,332 301,333 4.648,334 3.797,335 7.027,336 4.37,337 3.395,338 4.272,339 1.437,340 11.988,341 3.32,342 4.397,343 3.512,344 6.957,345 4.283,346 3.308,347 3.898,348 0.8,349 11.759,350 3.234,351 4.25,352 3.419,353 6.434,354 3.863,355 2.909,356 3.66,357 0.8,358 9.862,359 2.778,360 4.155,361 3.299,362 6.402,363 3.806,364 2.841,365 3.346,367 9.672,368 2.7,369 3.767,370 3.158,371 5.946,372 3.413,373 2.453,374 3.076,376 8.117,377 2.345,378 3.578,379 2.885,380 5.422,381 3.205,382 2.253,383 2.872,385 6.737,386 2.123,387 3.245,388 2.582,389 5.016,390 2.829,391 1.915,392 2.462,394 5.589,395 1.733,396 3.064,397 2.445,398 4.919,399 2.759,400 1.808,401 2.118,403 5.322,404 1.698,405 2.914,406 2.028,407 4.442,408 2.436,409 1.479,410 2.009,412 3.973,413 1.393,414 2.729,415 1.602,416 4.247,417 2.236,418 1.254,419 1.73,421 3.292,422 1.218,423 2.452,424 1.416,425 4.166,426 2.03,427 1.08,428 1.397,430 3.144,431 1.018,432 2,433 1.159,434 3.959,435 1.984,436 1,437 1,439 3.02,440 0.983,441 1.92,442 1.077,443 3.676,444 1.452,445 0.51,446 0.53,448 1.366,449 0.478,450 1.565,451 0.757,452 3.219,453 1.338,454 0.329,455 0.478,457 0.83,458 0.323,459 1.27,460 0.532,461 3.086,462 0.911,463 0.01,464 0.012,466 0.026,467 0.009,468 13.457,469 0.449,470 1.087,471 0.036,472 38.25,473 1.275,474 17.5,475 0.583,476 20.75,477 0.692,478 25.468,479 0.849,480 32.743,481 0.728,482 34.03,483 1.134,484 7.569,485 0.252,486 6.688,487 0.223,488 0.168,490 0.542,494 3,496 0.657,497 0.981,498 0.599,499 0.941,500 0.6,501 0.801,502 0.617,503 0.993,504 0.68,505 1.013,506 0.513,507 0.918,508 0.827,509 1.048,510 0.88,511 1.118,512 0.796,513 1.057,514 0.828,515 0.827,516 0.829,517 0.738,518 0.814,519 0.751,520 0.971,521 0.986,522 0.881,523 0.928,524 0.971,525 0.872,526 1.001,527 1.14,528 0.857,529 1.088,530 0.961,531 0.958,532 0.995,533 1.082,534 1.015,535 1.133,536 0.987,537 1.106,538 1.256,539 1.052,540 1.241,541 1.086,542 1.346,543 1.148,544 7,545 0.189,546 5.5,547 2.597,548 2.686,549 1.879,550 1.354,551 0.756,552 0.522,553 0.338,554 10746,555 38791,556 2.084,557 33.3,559 9,560 1,562 3,565 2,567 1.737,568 1.875,569 3.256,570 0.966,571 1,572 1,577 84.582,578 1.88,579 4.186,580 4.853,581 5.136,582 5.136,583 5.136,584 2.681,585 4.348,586 4.875,587 3.392,588 1475.55,589 8.557,590 19389.5,592 1,594 1,595 247.133,596 1.498,597 4.803,598 0.206,599 0.011,600 0.11,601 0.049,602 0.051,603 0.036,604 0.026,605 0.016,606 0.015,607 0.013,608 0.532,609 0.33,610 0.88,611 0.817,612 149.877,613 -0.089,614 -0.067,615 -0.004,616 0.046,617 -0.055,618 0.066,619 0.009,620 -0.089,621 0.029,622 -0.05,623 0.079,624 -0.014,625 -0.029,626 -0.108,627 0.01,628 -0.154,629 -0.024,630 -0.089,631 0.083,632 0.072,633 0.151,634 0.184,635 0.076,636 0.205,637 -0.022,638 0.065,639 0.044,640 0.066,641 -0.05,642 0.089,643 -0.091,644 -0.157,645 0.015,646 -0.118,647 -0.07,648 -0.034,649 0.171,650 0.025,651 -0.063,652 -0.142,653 0.206,654 -0.201,655 -0.122,656 -0.037,657 -0.192,658 -0.083,659 -0.162,660 -0.153,661 3.226,662 6.835,663 0.733,664 26.596,665 1.047,666 1.145,667 3.213,668 10.325,669 0.678,670 3.555,671 3.989,672 4.317,673 4.625,674 4.934,675 5.142,676 5.328,677 5.489,678 5.69,679 5.784,680 5.881,681 0.69,682 416.39,683 3.555,684 5.165,685 6.075,686 7.013,687 7.943,688 8.885,689 9.822,690 10.767,691 11.708,692 12.654,693 8.9,694 1,699 1,701 1,703 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 4,797 0.6,798 3,809 1,812 1,813 1,815 1,816 4,820 1,831 1,835 1,836 1,841 1,843 3,849 3,851 30,852 1,857 1,858 2,863 3,864 2,873 3,874 6.7,876 1,877 2,881 16,882 8.062,883 6.25,884 2.604,886 2.605,887 1.319,888 1.006,889 4.177,890 10.777,891 3.784,892 4.419,893 4.994,894 5.54,895 6.118,896 6.514,897 6.948,898 7.351,899 7.77,900 8.018,901 0.857,902 53,903 11.398,905 5.559,906 8.456,907 20.229,909 17.947,911 2.956,912 88.667,916 141.253,917 98.354,918 55.931,920 92.973,921 44.88,923 98.354,924 234.226,925 100.812,927 46.156,928 37.905,929 115.802,930 42.74,931 61.307,932 129.482,934 141.253,935 154.285,936 137.854,939 162.591,940 116.515,943 40.233,944 97.267,945 16.786,947 186.134,948 148.905,949 98.354,952 141.253,953 51.402,954 53.201,956 187.536,957 141.253,958 193.785,959 98.354,961 0.613,962 0.364,963 0.192,964 0.108,965 30,966 15,967 0.061,968 3,969 2,970 1.182,971 3.941,972 298.425,973 0.182,974 22,975 143.207,981 19.103,982 6.56,983 3.008,985 193.785,986 3.616,987 4.258,991 -3.3,993 75.581,994 433.392,995 43,1000 24.114,1002 0.912,1004 -3.189,1007 47.112,1008 51.547,1009 0.342,1010 0.762,1011 0.884,1012 0.935,1013 0.935,1014 0.935,1015 5.106,1016 1.808,1017 6.125,1018 5.589,1019 4.673,1020 5.106,1021 1.953,1022 7.05,1023 4.59,1024 6.357,1025 1.479,1026 7.765,1027 5.322,1028 4.575,1029 5.121,1030 0.57,1031 8.238,1032 4.452,1033 7.713,1034 1.254,1035 9.504,1036 3.973,1037 6.428,1038 7.3,1039 2.346,1040 11.341,1041 6.284,1042 9.098,1043 1.08,1044 11.297,1045 3.292,1046 7.091,1047 8.049,1048 0.479,1049 13.298,1050 6.921,1051 10.51,1052 1,1053 13.126,1054 3.144,1055 8.495,1056 9.779,1057 2.951,1058 15.963,1059 8.302,1060 11.94,1061 0.51,1062 14.978,1063 3.02,1064 9.467,1065 10.853,1066 0.346,1067 18.218,1068 9.254,1069 13.385,1070 0.329,1071 16.846,1072 1.366,1073 10.723,1074 12.41,1075 3.628,1076 20.743,1077 10.489,1078 3.395,1079 0.01,1080 18.727,1081 0.83,1082 11.823,1083 13.646,1084 0.237,1085 23.118,1086 11.57,1087 3.308,1088 11.988,1089 20.618,1090 0.026,1091 13.033,1092 15.128,1093 4.332,1094 25.599,1095 12.759,1096 2.909,1097 11.759,1098 22.516,1099 4.272,1100 14.187,1101 16.45,1102 0.158,1103 28.025,1104 13.895,1105 2.841,1106 9.862,1107 24.42,1108 3.898,1109 15.384,1110 17.899,1111 5.048,1112 30.493,1113 15.073,1114 2.453,1115 9.672,1116 26.329,1117 3.66,1118 16.564,1119 19.268,1120 0.104,1121 32.943,1122 16.233,1123 2.253,1124 8.117,1125 28.242,1126 3.346,1127 17.76,1128 20.705,1129 5.769,1130 35.409,1131 17.41,1132 1.915,1133 6.737,1134 30.159,1135 3.076,1136 18.952,1137 22.102,1138 0.068,1139 37.87,1140 18.582,1141 10109,1142 19356,1143 22.024,1144 30.529,1145 53.965,1146 56.022,1147 56.369,1148 53.328,1149 53.089,1150 65.721,1151 6.073,1152 169.395,1153 50.704,1154 5.648,1155 5.797,1156 6.311,1157 5.446,1158 5.395,1159 7.272,1160 2.873,1161 19.693,1162 5.32,1163 18.633,1164 1.587,1165 1.648,1166 1.658,1167 1.568,1168 1.561,1169 1.933,1170 0.179,1171 4.982,1172 1.491,1173 4.098,1174 4.14,1175 4.058,1176 3.973,1177 8.212,1178 3.986,1179 3.983,1180 4.017,1181 3.922,1182 3.875,1183 8.201,1184 3.883,1185 3.839,1186 3.862,1187 3.808,1188 3.745,1189 8.191,1190 3.756,1191 3.585,1192 3.598,1193 3.563,1194 3.425,1195 7.48,1196 3.453,1197 3.186,1198 3.249,1199 3.136,1200 2.917,1201 7.422,1202 2.955,1203 3.095,1204 3.141,1205 3.049,1206 2.854,1207 6.351,1208 2.895,1209 2.968,1210 2.985,1211 2.883,1212 2.733,1213 5.032,1214 2.734,1215 2.898,1216 2.956,1217 2.822,1218 2.645,1219 4.787,1220 2.695,1221 0.137,1222 0.112,1223 0.207,1224 0.129,1225 0.1,1226 4.648,1227 0.126,1228 3.797,1229 0.042,1230 7.027,1231 0.353,1232 4.37,1233 0.098,1234 3.395,1235 4.272,1236 1.437,1237 11.988,1238 3.32,1239 1.956,1240 1.933,1241 2.003,1242 2.093,1243 1.149,1244 2.065,1245 1.809,1246 1.788,1247 1.883,1248 1.931,1249 1.069,1250 1.916,1251 1.573,1252 1.537,1253 1.732,1254 1.778,1255 1.02,1256 1.762,1257 1.398,1258 1.353,1259 1.591,1260 1.611,1261 0.94,1262 1.585,1263 1.326,1264 1.265,1265 1.529,1266 1.486,1267 0.612,1268 1.526,1269 1.045,1270 0.962,1271 1.345,1272 1.398,1273 0.439,1274 1.387,1275 0.951,1276 0.915,1277 1.121,1278 1.255,1279 0.162,1280 1.191,1281 0.859,1282 0.804,1283 1.036,1284 1.113,1285 0.06,1286 1.079,1287 4.234,1288 1.946,1289 5.638,1290 4.263,1291 7.245,1292 6.33,1293 8.952,1294 8.304,1295 10.713,1299 42.668,1301 5.92,1302 9.364,1303 1.007,1308 0.565,1309 2.731,1314 31.068,1315 84.582,1316 188.362,1317 218.379,1318 231.133,1319 231.133,1320 231.133,1321 91.248,1322 8.172,1323 101.45,1324 101.45,1325 26,1326 13.146,1327 4,1328 3.322,1329 41.214,1330 103,1331 126,1332 0.195,1333 182.064,1334 335.78,1335 435.997,1336 37368,1337 6.7,1338 21.317,1339 0.711,1340 0.512,1341 18.706,1342 15.35,1343 14.257,1344 0.419,1345 0.271,1346 9.014,1347 13.444,1348 8.944,1349 7.236,1350 13.042,1351 9.211,1352 14.084,1353 0.266,1354 0.144,1355 12.384,1356 7.618,1357 12.141,1358 0.164,1359 0.077,1360 10.936,1361 5.68,1362 10.264,1363 0.102,1364 0.039,1365 9.169,1366 3.973,1367 8.393,1368 0.061,1369 0.02,1370 7.624,1371 2.749,1372 0.294,1373 91.681,1374 0.213,1375 27.505,1376 0.575,1377 174,1378 726.202,1379 200.378,1380 616.316,1381 805.18,1382 568,1383 217,1384 572.444,1385 243.657,1386 556.712,1387 832.62,1388 524,1389 5.1}
{0 CHEMBL1650533,1 1.653,2 11.833,3 2.638,4 6.96,5 119.867,6 7.618,7 0.606,8 4.135,9 4.272,10 3.766,11 3.619,12 5.225,13 3.594,14 4.664,15 4.867,16 4.142,17 4.012,18 5.662,19 3.973,20 4.858,21 5.071,22 4.128,23 4.151,24 5.857,25 4.07,26 5.065,27 5.308,28 4.186,29 4.263,30 5.988,31 4.151,32 5.113,33 5.385,34 4.201,35 4.259,36 6.042,37 4.125,38 4.992,39 5.26,40 4.174,41 4.19,42 5.94,43 4.026,44 4.743,45 4.967,46 3.879,47 3.97,48 5.705,49 3.795,50 4.525,51 4.799,52 3.567,53 3.665,54 5.427,55 3.549,56 0.088,57 0.93,58 12.755,59 4.498,60 13.036,61 6.371,62 0.261,63 1.442,64 23.99,65 7.285,66 27.136,67 10.71,68 0.479,69 1.651,70 29.974,71 9.389,72 35.571,73 13.272,74 0.452,75 1.843,76 39.92,77 12.303,78 48.69,79 17.701,80 0.551,81 1.863,82 42.819,83 12.796,84 59.045,85 18.701,86 0.529,87 1.7,88 41.415,89 12.395,90 58.699,91 16.605,92 0.407,93 1.405,94 41.541,95 11.42,96 34.393,97 13.536,98 0.46,99 1.061,100 23.703,101 5.79,102 33.114,103 8.809,104 33,105 48,106 0.271,107 0.654,108 0.818,109 0.854,110 0.854,111 0.854,112 3.44,113 0.964,114 -2.43,115 -2.46,116 -2.41,119 35.7,120 4,125 3,130 1,142 1,143 1,145 2,146 2,147 1,151 2,152 1,153 1,161 1,168 1,174 1,175 7,178 1,180 2,183 1,187 3,188 3,191 4,193 2,199 1,200 1,203 1,205 1,208 2,212 2,213 7,216 2,218 2,221 4,224 2,228 1,230 1,233 1,237 2,238 2,241 2,242 1,243 4,246 1,249 2,250 1,254 1,264 5,269 1,276 1436,277 20.16,278 20.16,279 20.16,280 20.16,281 20.16,282 17.833,283 24.611,284 11.517,285 20.805,286 16.147,287 16.147,288 16.147,289 16.147,290 16.147,291 12.623,292 44.115,293 5.294,294 17.191,295 4.154,296 1.811,297 0.809,298 0.59,299 0.59,300 0.59,301 4.129,305 1,306 1,307 763,308 4.123,311 226.552,312 84.496,315 127.016,319 1.789,320 22.273,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 65,332 355,333 4.678,334 3.583,335 7.287,336 4.324,337 3.369,338 4.641,339 0.916,340 12.341,341 3.215,342 4.379,343 3.275,344 6.831,345 4.178,346 3.241,347 3.764,348 0.4,349 11.349,350 3.042,351 4.137,352 2.912,353 6.107,354 3.723,355 2.782,356 3.629,357 0.172,358 8.91,359 2.62,360 4.019,361 2.713,362 5.664,363 3.579,364 2.623,365 3.349,367 7.893,368 2.495,369 3.561,370 2.383,371 5.242,372 3.103,373 2.146,374 3.006,376 6.398,377 2.051,378 3.479,379 2.268,380 5.016,381 3.059,382 2.129,383 2.849,385 5.947,386 1.972,387 3.171,388 2.002,389 4.966,390 2.794,391 1.87,392 2.354,394 5.568,395 1.715,396 2.79,397 1.757,398 4.606,399 2.472,400 1.542,401 1.91,403 4.283,404 1.427,405 2.64,406 1.365,407 4.225,408 2.274,409 1.338,410 1.652,412 3.558,413 1.247,414 2.513,415 1.123,416 3.781,417 1.989,418 1.068,419 1.518,421 2.664,422 0.981,423 2.217,424 1.034,425 3.297,426 1.726,427 0.762,428 1.091,430 1.863,431 0.728,432 2.143,433 0.818,434 3.268,435 1.634,436 0.67,437 0.979,439 1.705,440 0.644,441 2.118,442 0.697,443 3.11,444 1.547,445 0.618,446 0.927,448 1.372,449 0.572,450 1.431,451 0.618,452 3,453 1.317,454 0.421,455 0.423,457 0.554,458 0.369,459 1.333,460 0.425,461 2.937,462 1.179,463 0.251,464 0.266,466 0.41,467 0.234,468 14.367,469 0.479,470 0.851,471 0.028,472 37,473 1.233,474 16.5,475 0.55,476 20.5,477 0.683,478 30.07,479 1.002,480 33.033,481 0.59,482 26.478,483 0.883,484 7.015,485 0.234,486 7.392,487 0.246,488 0.162,489 0.035,490 0.299,496 0.95,497 1.538,498 0.769,499 1.113,500 0.977,501 1.002,502 1.021,503 1.232,504 0.707,505 0.839,506 0.826,507 0.787,508 0.994,509 0.969,510 1.06,511 1.011,512 0.786,513 1.066,514 1.024,515 1.108,516 0.927,517 1.042,518 1.165,519 1.017,520 0.886,521 0.908,522 0.796,523 0.856,524 0.982,525 0.882,526 0.994,527 0.869,528 1.066,529 0.91,530 1.034,531 0.866,532 0.909,533 1.387,534 2.185,535 2.03,536 0.859,537 1.369,538 1.297,539 0.66,540 1.111,541 0.691,542 0.931,543 0.851,544 7.5,545 0.264,546 3.778,547 2.319,548 1.574,549 1.032,550 0.723,551 0.412,552 0.23,553 0.263,554 11876,555 30784,556 2.059,557 46.4,559 7,560 2,561 2,562 3,563 3,564 9,567 1.727,568 1.905,569 3.482,570 0.966,572 1,577 92.562,578 1.653,579 3.996,580 4.999,581 5.218,582 5.218,583 5.218,584 2.927,585 4.574,586 4.88,587 3.704,588 1611.19,589 8.505,590 22563.5,592 1,595 325.212,596 1.615,597 4.82,598 0.227,599 0.009,600 0.079,601 0.05,602 0.033,603 0.023,604 0.018,605 0.013,606 0.01,607 0.009,608 0.472,609 0.33,610 1,611 1.346,612 154.698,613 -0.016,614 -0.284,615 0.085,616 -0.079,617 -0.11,618 -0.018,619 -0.022,620 -0.106,621 0.186,622 0.122,623 0.023,624 0.173,625 0.003,626 0.156,627 -0.147,628 -0.052,629 0.011,630 -0.116,631 -0.034,632 -0.137,633 0.021,634 -0.047,635 -0.057,636 -0.016,637 0.054,638 0.017,639 0.167,640 0.11,641 0.025,642 0.113,643 -0.012,644 0.11,645 0.141,646 0.214,647 -0.009,648 0.145,649 0.044,650 -0.247,651 -0.437,652 -0.495,653 0.013,654 -0.294,655 -0.206,656 0.37,657 -0.121,658 0.196,659 -0.161,660 0.056,661 1.546,662 3.675,663 0.633,664 30.449,665 1.003,666 1.14,667 1.201,668 1.442,669 0.661,670 3.526,671 3.892,672 4.174,673 4.443,674 4.575,675 4.745,676 4.898,677 5.056,678 5.094,679 5.165,680 7.084,681 0.622,682 426.61,683 3.526,684 5.094,685 5.958,686 6.86,687 7.743,688 8.647,689 9.538,690 10.443,691 11.338,692 12.245,693 14.3,696 1,701 3,703 4,708 1,709 5,710 4,711 1,713 1,714 6,716 20,728 1,735 56,737 20,739 33,741 59,742 20,743 12,748 4,749 5,754 5,762 12,763 8,764 1,780 1,783 26,784 7,785 3,786 10,787 1,789 1,790 1,792 8,797 0.75,798 1,799 1,806 1,807 1,815 3,816 1,819 1,839 1,841 1,843 3,845 1,847 4,851 30,857 1,858 3,860 1,864 1,865 1,874 1.8,875 1,881 15.75,882 11.233,883 6.569,884 3.308,886 3.781,887 1.482,888 0.956,889 5.979,890 11.619,891 3.784,892 4.428,893 5.041,894 5.681,895 6.1,896 6.587,897 7.054,898 7.527,899 7.812,900 8.136,901 0.875,902 46,903 11.046,905 4.631,906 7.642,907 21.265,909 17.351,911 2.142,912 64.25,915 1,916 270.735,917 132.659,918 104.295,920 42.683,922 31.052,923 101.607,924 313.419,925 104.295,926 35.301,927 4.211,928 70.254,929 90.468,930 66.808,931 28.627,932 254.703,934 270.735,935 205.901,936 42.683,937 31.052,939 164.795,940 105.94,941 42.683,943 104.85,944 35.841,945 65.21,946 31.052,947 270.735,948 146.978,949 132.659,952 270.735,953 51.692,954 85.378,955 34.674,956 107.893,957 270.735,958 146.978,959 132.659,961 0.589,962 0.354,963 0.187,964 0.089,965 24,966 11,967 0.136,968 8,969 1,970 1.105,971 4.074,972 271.246,973 0.105,974 19,975 145.207,977 1,981 21.066,982 8.515,983 4.329,984 0.739,985 129.028,986 9.427,987 17.831,988 2.841,990 1.392,991 5.322,993 77.357,994 550.372,995 43,1007 56.171,1008 63.853,1009 0.285,1010 0.688,1011 0.861,1012 0.898,1013 0.898,1014 0.898,1015 5.043,1016 1.542,1017 5.989,1018 5.568,1019 4.575,1020 5.115,1021 1.038,1022 6.866,1023 4.453,1024 6.281,1025 1.338,1026 7.597,1027 4.283,1028 4.369,1029 5.027,1030 0.325,1031 8.072,1032 4.214,1033 7.619,1034 1.068,1035 9.315,1036 3.558,1037 6.279,1038 7.375,1039 0.697,1040 11.116,1041 6.046,1042 8.995,1043 0.762,1044 11.1,1045 2.664,1046 6.899,1047 8.138,1048 0.393,1049 13.136,1050 6.63,1051 10.403,1052 0.67,1053 12.929,1054 1.863,1055 8.311,1056 9.95,1057 0.537,1058 15.773,1059 7.976,1060 11.833,1061 0.618,1062 14.79,1063 1.705,1064 9.267,1065 11.107,1066 0.384,1067 18.088,1068 8.89,1069 13.279,1070 0.421,1071 16.674,1072 1.372,1073 10.521,1074 12.722,1075 0.438,1076 20.614,1077 10.085,1078 3.369,1079 0.251,1080 18.575,1081 0.554,1082 11.614,1083 14.07,1084 0.351,1085 23.037,1086 11.131,1087 3.241,1088 12.341,1089 20.49,1090 0.41,1091 12.819,1092 15.615,1093 0.366,1094 25.534,1095 12.282,1096 2.782,1097 11.349,1098 22.415,1099 4.641,1100 13.969,1101 17.057,1102 0.312,1103 27.997,1104 13.383,1105 2.623,1106 8.91,1107 24.349,1108 3.764,1109 15.161,1110 18.581,1111 0.309,1112 30.488,1113 14.523,1114 2.146,1115 7.893,1116 26.291,1117 3.629,1118 16.335,1119 20.067,1120 0.273,1121 32.969,1122 15.648,1123 2.129,1124 6.398,1125 28.237,1126 3.349,1127 17.527,1128 21.589,1129 0.262,1130 35.461,1131 16.789,1132 1.87,1133 5.947,1134 30.189,1135 3.006,1136 18.713,1137 23.097,1138 0.236,1139 37.95,1140 17.926,1141 11452,1142 18658,1143 21.671,1144 37,1145 50.129,1146 50.11,1147 51.401,1148 49.612,1149 49.656,1150 64.717,1151 2.978,1152 149.63,1153 46.623,1154 5.545,1155 5.583,1156 6.883,1157 5.419,1158 5.369,1159 7.641,1160 1.605,1161 19.758,1162 5.137,1163 16.34,1164 1.519,1165 1.518,1166 1.558,1167 1.503,1168 1.505,1169 1.961,1170 0.09,1171 4.534,1172 1.413,1173 4.148,1174 4.201,1175 4.229,1176 3.981,1177 6.456,1178 4.008,1179 3.901,1180 3.948,1181 4.092,1182 3.819,1183 5.138,1184 3.783,1185 3.812,1186 3.883,1187 3.757,1188 3.623,1189 4.965,1190 3.64,1191 3.716,1192 3.758,1193 3.689,1194 3.586,1195 4.803,1196 3.579,1197 3.412,1198 3.498,1199 3.301,1200 3.232,1201 4.468,1202 3.224,1203 3.396,1204 3.469,1205 3.218,1206 3.214,1207 4.31,1208 3.208,1209 3.129,1210 3.216,1211 3.011,1212 2.927,1213 4.014,1214 2.931,1215 2.987,1216 3.065,1217 2.918,1218 2.738,1219 3.958,1220 2.7,1221 0.142,1222 0.109,1223 0.221,1224 0.131,1225 0.102,1226 4.678,1227 0.141,1228 3.583,1229 0.028,1230 7.287,1231 0.374,1232 4.324,1233 0.097,1234 3.369,1235 4.641,1236 0.916,1237 12.341,1238 3.215,1239 1.882,1240 1.836,1241 1.995,1242 2.073,1243 1.264,1244 2.04,1245 1.789,1246 1.73,1247 1.951,1248 1.985,1249 1.076,1250 1.991,1251 1.598,1252 1.564,1253 1.781,1254 1.739,1255 0.964,1256 1.733,1257 1.512,1258 1.465,1259 1.698,1260 1.691,1261 0.845,1262 1.715,1263 1.416,1264 1.341,1265 1.658,1266 1.644,1267 0.793,1268 1.632,1269 1.289,1270 1.232,1271 1.509,1272 1.599,1273 0.614,1274 1.586,1275 1.248,1276 1.142,1277 1.431,1278 1.488,1279 0.469,1280 1.514,1281 1.158,1282 1.115,1283 1.417,1284 1.342,1285 0.462,1286 1.363,1287 4.205,1289 5.557,1290 3.434,1291 7.086,1292 5.687,1293 8.699,1294 7.695,1295 10.359,1297 8.112,1302 9.675,1303 1.603,1305 3.381,1309 2.209,1310 -0.296,1314 34.814,1315 92.562,1316 223.789,1317 279.928,1318 292.192,1319 292.192,1320 292.192,1321 46.812,1322 7.838,1323 107.26,1324 135.5,1325 21,1326 12.764,1327 4.392,1328 3.459,1329 47.152,1330 129,1331 116,1332 0.18,1333 219.106,1334 355.7,1335 526.379,1336 28086,1338 21.303,1339 0.71,1340 0.612,1341 21.656,1342 18.363,1343 14.407,1344 0.437,1345 0.321,1346 9.732,1347 13.273,1348 9.285,1349 7.782,1350 14.861,1351 10.607,1352 13.414,1353 0.279,1354 0.18,1355 13.991,1356 8.652,1357 11.337,1358 0.177,1359 0.093,1360 11.995,1361 5.927,1362 9.324,1363 0.111,1364 0.048,1365 10.02,1366 4.066,1367 6.619,1368 0.069,1369 0.024,1370 7.172,1371 2.312,1372 0.285,1373 95.507,1374 0.215,1375 28.337,1376 0.489,1377 162,1378 449.546,1379 202.209,1380 460.236,1381 642.01,1382 432,1383 193,1384 475.581,1385 231.881,1386 500.006,1387 726.76,1388 467,1389 7}
{0 CHEMBL1650545,1 1.807,2 11.793,3 2.812,4 7.908,5 106.921,6 8.862,7 0.606,8 4.012,9 4.138,10 3.769,11 3.516,12 5.15,13 3.525,14 4.568,15 4.745,16 4.197,17 3.924,18 5.865,19 3.928,20 4.752,21 4.963,22 4.064,23 3.969,24 5.939,25 3.918,26 4.739,27 4.979,28 4.068,29 3.956,30 5.772,31 3.895,32 4.652,33 4.862,34 4.106,35 3.947,36 5.8,37 3.891,38 4.621,39 4.833,40 4.089,41 3.945,42 5.78,43 3.834,44 4.49,45 4.69,46 3.913,47 3.721,48 5.673,49 3.645,50 4.397,51 4.672,52 3.537,53 3.531,54 5.39,55 3.431,56 0.167,57 0.971,58 7.842,59 3.744,60 15.588,61 4.386,62 0.58,63 1.688,64 17.247,65 6.407,66 66.869,67 7.6,68 0.869,69 1.711,70 25.097,71 8.634,72 77.17,73 9.554,74 0.646,75 1.537,76 28.8,77 8.703,78 57.616,79 11.146,80 0.626,81 1.524,82 22.024,83 7.305,84 53.894,85 8.565,86 0.546,87 1.488,88 26.275,89 9.014,90 44.633,91 10.32,92 0.518,93 1.363,94 26.994,95 8.046,96 35.095,97 8.164,98 0.576,99 0.965,100 19.598,101 5.436,102 42.06,103 7.601,104 10,105 49,106 0.305,107 0.708,108 0.855,109 0.884,110 0.884,111 0.884,112 3.408,113 0.901,114 -2.94,115 -2.95,116 -2.85,119 38.3,120 1,121 1,125 3,131 1,142 1,143 1,145 2,146 2,147 1,151 2,152 1,153 1,161 1,168 1,174 1,175 5,178 1,180 2,187 3,188 3,191 3,199 1,200 1,203 1,205 1,212 2,213 5,216 2,218 1,221 2,224 2,233 1,237 2,238 2,241 2,242 1,243 2,246 1,249 2,250 1,264 3,269 1,276 1352,277 19.497,278 19.497,279 19.497,280 19.497,281 19.497,282 17.17,283 23.302,284 11.239,285 20.233,286 16.358,287 16.358,288 16.358,289 16.358,290 16.358,291 12.834,292 38.571,293 5.42,294 17.636,295 3.747,296 1.355,297 0.484,298 0.314,299 0.314,300 0.314,301 4.113,305 1,306 1,307 766,308 3.082,311 289.757,312 78.004,315 117.558,319 1.815,320 34.666,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 65,332 342,333 4.677,334 4.015,335 6.831,336 4.179,337 3.255,338 4.641,339 1.51,340 11.349,341 3.042,342 4.264,343 3.276,344 6.76,345 4.139,346 3.24,347 3.76,348 0.916,349 11.107,350 2.861,351 4.145,352 3.002,353 6.107,354 3.733,355 2.796,356 3.627,357 0.4,358 8.912,359 2.622,360 4.027,361 2.779,362 5.697,363 3.598,364 2.641,365 3.249,366 0.172,367 8.008,368 2.508,369 3.562,370 2.559,371 5.309,372 3.159,373 2.256,374 3.007,376 6.769,377 2.058,378 3.494,379 2.319,380 5.111,381 3.095,382 2.143,383 2.852,385 6.014,386 2.011,387 3.287,388 2.164,389 5.016,390 2.935,391 2.008,392 2.438,394 5.94,395 1.845,396 2.935,397 1.859,398 4.696,399 2.59,400 1.677,401 2.002,403 4.994,404 1.517,405 2.777,406 1.366,407 4.225,408 2.278,409 1.341,410 1.89,412 3.567,413 1.251,414 2.517,415 1.124,416 3.781,417 1.99,418 1.069,419 1.525,421 2.67,422 0.982,423 2.221,424 0.902,425 3.726,426 1.758,427 0.79,428 1.095,430 1.928,431 0.76,432 2.143,433 0.786,434 3.294,435 1.688,436 0.723,437 0.979,439 1.833,440 0.692,441 2.118,442 0.695,443 3.267,444 1.633,445 0.669,446 0.927,448 1.698,449 0.644,450 1.763,451 0.618,452 3,453 1.547,454 0.618,455 0.757,457 1.372,458 0.572,459 1.264,460 0.51,461 2.989,462 0.905,463 -0.033,464 -0.039,466 -0.097,467 -0.03,468 13.605,469 0.469,470 0.878,471 0.03,472 37.25,473 1.284,474 16.5,475 0.569,476 20.75,477 0.716,478 24.987,479 0.862,480 31.395,481 0.668,482 26.85,483 0.926,484 7.203,485 0.248,486 6.763,487 0.233,488 0.079,489 0.037,490 0.316,492 2,496 0.662,497 1.234,498 0.635,499 1.037,500 0.563,501 0.901,502 0.784,503 1.081,504 0.683,505 0.872,506 0.59,507 0.815,508 1.254,509 0.965,510 1.184,511 1.001,512 1.395,513 1.117,514 0.825,515 0.925,516 0.888,517 0.924,518 0.737,519 0.862,520 0.999,521 0.896,522 1.018,523 0.9,524 0.906,525 0.966,526 0.618,527 0.893,528 1.265,529 1.233,530 0.482,531 1.069,532 0.936,533 1.22,534 1.635,535 1.696,536 0.934,537 1.309,538 0.63,539 0.455,540 0.852,541 0.608,542 0.444,543 0.829,544 7.5,545 0.167,546 2.889,547 2.486,548 1.174,549 1.074,550 0.542,551 0.463,552 0.156,553 0.208,554 12003,555 38223,556 2.162,557 38.3,559 7,560 2,561 2,562 2,563 3,566 2,567 1.717,568 2.035,569 3.504,570 0.364,571 1,572 1,577 84.948,578 1.807,579 4.2,580 5.07,581 5.241,582 5.241,583 5.241,584 2.957,585 4.444,586 4.829,587 3.709,588 1505.85,589 8.397,590 20529.5,592 1,594 1,595 261.066,596 1.503,597 4.79,598 0.227,599 0.007,600 0.059,601 0.061,602 0.028,603 0.026,604 0.014,605 0.015,606 0.007,607 0.008,608 0.452,609 0.33,610 0.88,611 0.506,612 148.124,613 -0.042,614 -0.224,615 0.073,616 -0.09,617 -0.065,618 -0.016,619 0.074,620 -0.063,621 0.12,622 0.042,623 0.195,624 0.082,625 -0.112,626 0.142,627 -0.263,628 -0.047,629 -0.193,630 -0.193,631 -0.042,632 -0.072,633 0.113,634 0.071,635 -0.034,636 0.163,637 -0.155,638 0.061,639 -0.064,640 0.078,641 -0.142,642 -0.03,643 0.074,644 -0.002,645 -0.009,646 -0.01,647 0.108,648 -0.026,649 -0.03,650 -0.202,651 -0.282,652 -0.424,653 -0.08,654 -0.306,655 0.051,656 0.255,657 0.078,658 0.252,659 0.043,660 0.167,661 3.846,662 5.385,663 0.828,664 29.512,665 1.026,666 1.151,667 1.712,668 2.932,669 0.684,670 3.526,671 3.912,672 4.174,673 4.511,674 4.635,675 4.796,676 4.956,677 5.112,678 5.198,679 5.247,680 7.029,681 0.666,682 416.51,683 3.526,684 5.106,685 5.969,686 6.88,687 7.759,688 8.672,689 9.559,690 10.471,691 11.363,692 12.275,693 17,696 1,701 3,703 4,708 1,709 5,710 4,711 1,713 1,714 6,716 20,728 1,735 47,737 20,739 33,741 51,742 18,743 12,748 5,749 6,754 1,757 2,760 2,762 12,763 6,765 2,780 1,781 2,783 18,784 8,785 2,786 11,787 1,789 1,790 1,792 8,797 0.8,806 1,807 1,812 1,815 4,816 1,819 1,839 1,843 4,845 1,847 1,849 2,851 29,858 4,860 1,864 1,865 1,873 2,881 14.25,882 8.819,883 6.028,884 2.705,886 3.815,887 1.471,888 1.052,889 4.655,890 11.909,891 3.784,892 4.44,893 5.041,894 5.701,895 6.109,896 6.592,897 7.06,898 7.534,899 7.837,900 8.149,901 0.875,902 41,903 10.822,905 4.888,906 7.905,907 20.259,909 17.15,911 2.405,912 69.75,915 1,916 188.338,917 112.647,918 104.295,921 29.92,922 31.052,923 81.595,924 188.338,925 134.215,926 8.825,927 8.852,928 27.571,929 90.468,930 98.552,931 28.627,932 172.305,934 188.338,935 185.89,936 29.92,937 31.052,939 188.338,940 29.92,942 1.824,943 83.015,944 35.841,945 65.21,946 31.052,947 218.258,948 104.295,949 112.647,952 190.162,953 56.332,954 58.902,955 34.674,956 95.13,957 188.338,958 134.215,959 112.647,961 0.598,962 0.336,963 0.19,964 0.095,965 27,966 11,967 0.098,968 5,969 1,970 1.083,971 4.146,972 265.918,973 0.083,974 24,975 138.881,977 1,981 18.737,982 7.205,983 3.801,984 0.681,985 116.265,986 9.12,987 17.475,988 2.809,990 1.279,991 4.827,993 34.674,994 435.2,995 43,1007 48.218,1008 54.077,1009 0.325,1010 0.756,1011 0.913,1012 0.943,1013 0.943,1014 0.943,1015 5.056,1016 1.677,1017 5.999,1018 5.94,1019 4.595,1020 5.127,1021 1.999,1022 6.86,1023 4.446,1024 6.292,1025 1.341,1026 7.586,1027 4.994,1028 4.369,1029 5.027,1030 0.325,1031 7.972,1032 4.09,1033 7.626,1034 1.069,1035 9.275,1036 3.567,1037 6.282,1038 7.376,1039 2.518,1040 11.002,1041 5.972,1042 8.994,1043 0.79,1044 11.024,1045 2.67,1046 6.858,1047 8.127,1048 0.393,1049 12.913,1050 6.419,1051 10.393,1052 0.723,1053 12.812,1054 1.928,1055 8.273,1056 9.943,1057 3.236,1058 15.511,1059 7.786,1060 11.814,1061 0.669,1062 14.628,1063 1.833,1064 9.185,1065 11.094,1066 0.384,1067 17.727,1068 8.58,1069 13.251,1070 0.618,1071 16.463,1072 1.698,1073 10.43,1074 12.712,1075 4.018,1076 20.198,1077 9.759,1078 3.255,1079 -0.033,1080 18.312,1081 1.372,1082 11.486,1083 14.06,1084 0.351,1085 22.532,1086 10.709,1087 3.24,1088 11.349,1089 20.174,1090 -0.097,1091 12.674,1092 15.607,1093 4.826,1094 24.964,1095 11.819,1096 2.796,1097 11.107,1098 22.045,1099 4.641,1100 13.793,1101 17.049,1102 0.312,1103 27.346,1104 12.839,1105 2.641,1106 8.912,1107 23.923,1108 3.76,1109 14.964,1110 18.575,1111 5.643,1112 29.767,1113 13.927,1114 2.256,1115 8.008,1116 25.808,1117 3.627,1118 16.111,1119 20.062,1120 0.273,1121 32.169,1122 14.981,1123 2.143,1124 6.769,1125 27.697,1126 3.249,1127 17.278,1128 21.585,1129 6.465,1130 34.587,1131 16.063,1132 2.008,1133 6.014,1134 29.591,1135 3.007,1136 18.438,1137 23.094,1138 0.236,1139 36.999,1140 17.134,1141 11041,1142 19866,1143 22.364,1144 32.137,1145 51.378,1146 50.233,1147 50.53,1148 50.679,1149 50.454,1150 65.501,1151 5.998,1152 152.322,1153 46.727,1154 5.607,1155 6.015,1156 6.427,1157 5.276,1158 5.255,1159 7.641,1160 3.02,1161 18.766,1162 4.965,1163 12.483,1164 1.557,1165 1.522,1166 1.531,1167 1.536,1168 1.529,1169 1.985,1170 0.182,1171 4.616,1172 1.416,1173 4.148,1174 4.2,1175 4.229,1176 3.98,1177 8.358,1178 4.008,1179 3.923,1180 3.975,1181 4.093,1182 3.821,1183 7.999,1184 3.79,1185 3.819,1186 3.887,1187 3.781,1188 3.637,1189 5.138,1190 3.649,1191 3.74,1192 3.779,1193 3.752,1194 3.592,1195 4.965,1196 3.599,1197 3.396,1198 3.47,1199 3.301,1200 3.215,1201 4.802,1202 3.224,1203 3.166,1204 3.246,1205 3.116,1206 2.958,1207 4.467,1208 2.963,1209 2.957,1210 3.033,1211 2.973,1212 2.762,1213 4.179,1214 2.748,1215 2.892,1216 2.991,1217 2.723,1218 2.668,1219 3.999,1220 2.652,1221 0.142,1222 0.122,1223 0.207,1224 0.127,1225 0.099,1226 4.677,1227 0.141,1228 4.015,1229 0.046,1230 6.831,1231 0.344,1232 4.179,1233 0.092,1234 3.255,1235 4.641,1236 1.51,1237 11.349,1238 3.042,1239 1.882,1240 1.836,1241 1.952,1242 2.073,1243 1.126,1244 2.04,1245 1.64,1246 1.59,1247 1.82,1248 1.838,1249 1.077,1250 1.835,1251 1.586,1252 1.544,1253 1.744,1254 1.759,1255 1.047,1256 1.75,1257 1.535,1258 1.481,1259 1.695,1260 1.734,1261 0.8,1262 1.722,1263 1.377,1264 1.332,1265 1.556,1266 1.643,1267 0.741,1268 1.595,1269 1.253,1270 1.171,1271 1.467,1272 1.545,1273 0.593,1274 1.562,1275 1.232,1276 1.138,1277 1.43,1278 1.45,1279 0.44,1280 1.463,1281 1.116,1282 1.078,1283 1.26,1284 1.3,1285 0.312,1286 1.324,1287 4.205,1289 5.572,1290 3.714,1291 7.096,1292 6.009,1293 8.698,1294 8.032,1295 10.348,1297 1.912,1299 26.77,1303 0.501,1305 3.279,1309 1.73,1310 -2.596,1314 31.286,1315 84.948,1316 197.402,1317 238.311,1318 246.311,1319 246.311,1320 246.311,1321 47.164,1322 8.094,1323 87.03,1324 115.27,1325 26,1326 12.793,1327 4.392,1328 3.459,1329 39.767,1330 122,1331 115,1332 0.158,1333 190.928,1334 312.09,1335 457.625,1336 40160,1337 4.3,1338 20.01,1339 0.69,1340 0.565,1341 18.571,1342 16.379,1343 13.966,1344 0.423,1345 0.3,1346 9.001,1347 12.718,1348 8.771,1349 7.178,1350 13.713,1351 9.908,1352 13.74,1353 0.28,1354 0.163,1355 12.694,1356 7.984,1357 10.947,1358 0.171,1359 0.087,1360 11.009,1361 5.584,1362 9.848,1363 0.109,1364 0.047,1365 10.008,1366 4.187,1367 7.075,1368 0.069,1369 0.024,1370 7.019,1371 2.481,1372 0.25,1373 93.713,1374 0.211,1375 27.678,1376 0.425,1377 164,1378 591.619,1379 212.77,1380 541.959,1381 733.77,1382 506,1383 195,1384 530.029,1385 239.509,1386 538.328,1387 792.67,1388 505,1389 7}
{0 CHEMBL1650551,1 1.807,2 11.793,3 2.812,4 7.908,5 106.921,6 8.862,7 0.606,8 4.012,9 4.138,10 3.769,11 3.516,12 5.15,13 3.525,14 4.568,15 4.745,16 4.197,17 3.924,18 5.865,19 3.928,20 4.752,21 4.963,22 4.064,23 3.969,24 5.939,25 3.918,26 4.739,27 4.979,28 4.068,29 3.956,30 5.772,31 3.895,32 4.652,33 4.862,34 4.106,35 3.947,36 5.8,37 3.891,38 4.621,39 4.833,40 4.089,41 3.945,42 5.78,43 3.834,44 4.49,45 4.69,46 3.913,47 3.721,48 5.673,49 3.645,50 4.397,51 4.672,52 3.537,53 3.531,54 5.39,55 3.431,56 0.167,57 0.971,58 7.842,59 3.744,60 15.588,61 4.386,62 0.58,63 1.688,64 17.247,65 6.407,66 66.869,67 7.6,68 0.869,69 1.711,70 25.097,71 8.634,72 77.17,73 9.554,74 0.646,75 1.537,76 28.8,77 8.703,78 57.616,79 11.146,80 0.626,81 1.524,82 22.024,83 7.305,84 53.894,85 8.565,86 0.546,87 1.488,88 26.275,89 9.014,90 44.633,91 10.32,92 0.518,93 1.363,94 26.994,95 8.046,96 35.095,97 8.164,98 0.576,99 0.965,100 19.598,101 5.436,102 42.06,103 7.601,104 10,105 49,106 0.305,107 0.708,108 0.855,109 0.884,110 0.884,111 0.884,112 3.408,113 0.901,114 -2.94,115 -2.95,116 -2.85,119 38.3,120 1,121 1,125 3,131 1,142 1,143 1,145 2,146 2,147 1,151 2,152 1,153 1,161 1,168 1,174 1,175 5,178 1,180 2,187 3,188 3,191 3,199 1,200 1,203 1,205 1,212 2,213 5,216 2,218 1,221 2,224 2,233 1,237 2,238 2,241 2,242 1,243 2,246 1,249 2,250 1,264 3,269 1,276 1352,277 19.497,278 19.497,279 19.497,280 19.497,281 19.497,282 17.17,283 23.302,284 11.239,285 20.233,286 16.358,287 16.358,288 16.358,289 16.358,290 16.358,291 12.834,292 38.571,293 5.42,294 17.636,295 3.747,296 1.355,297 0.484,298 0.314,299 0.314,300 0.314,301 4.113,305 1,306 1,307 766,308 3.082,311 289.757,312 78.004,315 117.558,319 1.815,320 34.666,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 65,332 342,333 4.677,334 4.015,335 6.831,336 4.179,337 3.255,338 4.641,339 1.51,340 11.349,341 3.042,342 4.264,343 3.276,344 6.76,345 4.139,346 3.24,347 3.76,348 0.916,349 11.107,350 2.861,351 4.145,352 3.002,353 6.107,354 3.733,355 2.796,356 3.627,357 0.4,358 8.912,359 2.622,360 4.027,361 2.779,362 5.697,363 3.598,364 2.641,365 3.249,366 0.172,367 8.008,368 2.508,369 3.562,370 2.559,371 5.309,372 3.159,373 2.256,374 3.007,376 6.769,377 2.058,378 3.494,379 2.319,380 5.111,381 3.095,382 2.143,383 2.852,385 6.014,386 2.011,387 3.287,388 2.164,389 5.016,390 2.935,391 2.008,392 2.438,394 5.94,395 1.845,396 2.935,397 1.859,398 4.696,399 2.59,400 1.677,401 2.002,403 4.994,404 1.517,405 2.777,406 1.366,407 4.225,408 2.278,409 1.341,410 1.89,412 3.567,413 1.251,414 2.517,415 1.124,416 3.781,417 1.99,418 1.069,419 1.525,421 2.67,422 0.982,423 2.221,424 0.902,425 3.726,426 1.758,427 0.79,428 1.095,430 1.928,431 0.76,432 2.143,433 0.786,434 3.294,435 1.688,436 0.723,437 0.979,439 1.833,440 0.692,441 2.118,442 0.695,443 3.267,444 1.633,445 0.669,446 0.927,448 1.698,449 0.644,450 1.763,451 0.618,452 3,453 1.547,454 0.618,455 0.757,457 1.372,458 0.572,459 1.264,460 0.51,461 2.989,462 0.905,463 -0.033,464 -0.039,466 -0.097,467 -0.03,468 13.605,469 0.469,470 0.878,471 0.03,472 37.25,473 1.284,474 16.5,475 0.569,476 20.75,477 0.716,478 24.987,479 0.862,480 31.395,481 0.668,482 26.85,483 0.926,484 7.203,485 0.248,486 6.763,487 0.233,488 0.079,489 0.037,490 0.316,492 2,496 0.662,497 1.234,498 0.635,499 1.037,500 0.563,501 0.901,502 0.784,503 1.081,504 0.683,505 0.872,506 0.59,507 0.815,508 1.254,509 0.965,510 1.184,511 1.001,512 1.395,513 1.117,514 0.825,515 0.925,516 0.888,517 0.924,518 0.737,519 0.862,520 0.999,521 0.896,522 1.018,523 0.9,524 0.906,525 0.966,526 0.618,527 0.893,528 1.265,529 1.233,530 0.482,531 1.069,532 0.936,533 1.22,534 1.635,535 1.696,536 0.934,537 1.309,538 0.63,539 0.455,540 0.852,541 0.608,542 0.444,543 0.829,544 7.5,545 0.167,546 2.889,547 2.486,548 1.174,549 1.074,550 0.542,551 0.463,552 0.156,553 0.208,554 12003,555 38223,556 2.162,557 38.3,559 7,560 2,561 2,562 2,563 3,566 2,567 1.717,568 2.035,569 3.504,570 0.364,571 1,572 1,577 84.948,578 1.807,579 4.2,580 5.07,581 5.241,582 5.241,583 5.241,584 2.957,585 4.444,586 4.829,587 3.709,588 1505.85,589 8.397,590 20529.5,592 1,594 1,595 261.066,596 1.503,597 4.79,598 0.227,599 0.007,600 0.059,601 0.061,602 0.028,603 0.026,604 0.014,605 0.015,606 0.007,607 0.008,608 0.452,609 0.33,610 0.88,611 0.506,612 148.124,613 -0.042,614 -0.224,615 0.073,616 -0.09,617 -0.065,618 -0.016,619 0.074,620 -0.063,621 0.12,622 0.042,623 0.195,624 0.082,625 -0.112,626 0.142,627 -0.263,628 -0.047,629 -0.193,630 -0.193,631 -0.042,632 -0.072,633 0.113,634 0.071,635 -0.034,636 0.163,637 -0.155,638 0.061,639 -0.064,640 0.078,641 -0.142,642 -0.03,643 0.074,644 -0.002,645 -0.009,646 -0.01,647 0.108,648 -0.026,649 -0.03,650 -0.202,651 -0.282,652 -0.424,653 -0.08,654 -0.306,655 0.051,656 0.255,657 0.078,658 0.252,659 0.043,660 0.167,661 3.846,662 5.385,663 0.828,664 29.512,665 1.026,666 1.151,667 1.712,668 2.932,669 0.684,670 3.526,671 3.912,672 4.174,673 4.511,674 4.635,675 4.796,676 4.956,677 5.112,678 5.198,679 5.247,680 7.029,681 0.666,682 416.51,683 3.526,684 5.106,685 5.969,686 6.88,687 7.759,688 8.672,689 9.559,690 10.471,691 11.363,692 12.275,693 17,696 1,701 3,703 4,708 1,709 5,710 4,711 1,713 1,714 6,716 20,728 1,735 47,737 20,739 33,741 51,742 18,743 12,748 5,749 6,754 1,757 2,760 2,762 12,763 6,765 2,780 1,781 2,783 18,784 8,785 2,786 11,787 1,789 1,790 1,792 8,797 0.8,806 1,807 1,812 1,815 4,816 1,819 1,839 1,843 4,845 1,847 1,849 2,851 29,858 4,860 1,864 1,865 1,873 2,881 14.25,882 8.819,883 6.028,884 2.705,886 3.815,887 1.471,888 1.052,889 4.655,890 11.909,891 3.784,892 4.44,893 5.041,894 5.701,895 6.109,896 6.592,897 7.06,898 7.534,899 7.837,900 8.149,901 0.875,902 41,903 10.822,905 4.888,906 7.905,907 20.259,909 17.15,911 2.405,912 69.75,915 1,916 188.338,917 112.647,918 104.295,921 29.92,922 31.052,923 81.595,924 188.338,925 134.215,926 8.825,927 8.852,928 27.571,929 90.468,930 98.552,931 28.627,932 172.305,934 188.338,935 185.89,936 29.92,937 31.052,939 188.338,940 29.92,942 1.824,943 83.015,944 35.841,945 65.21,946 31.052,947 218.258,948 104.295,949 112.647,952 190.162,953 56.332,954 58.902,955 34.674,956 95.13,957 188.338,958 134.215,959 112.647,961 0.598,962 0.336,963 0.19,964 0.095,965 27,966 11,967 0.098,968 5,969 1,970 1.083,971 4.146,972 265.918,973 0.083,974 24,975 138.881,977 1,981 18.737,982 7.205,983 3.801,984 0.681,985 116.265,986 9.12,987 17.475,988 2.809,990 1.279,991 4.827,993 34.674,994 435.2,995 43,1007 48.218,1008 54.077,1009 0.325,1010 0.756,1011 0.913,1012 0.943,1013 0.943,1014 0.943,1015 5.056,1016 1.677,1017 5.999,1018 5.94,1019 4.595,1020 5.127,1021 1.999,1022 6.86,1023 4.446,1024 6.292,1025 1.341,1026 7.586,1027 4.994,1028 4.369,1029 5.027,1030 0.325,1031 7.972,1032 4.09,1033 7.626,1034 1.069,1035 9.275,1036 3.567,1037 6.282,1038 7.376,1039 2.518,1040 11.002,1041 5.972,1042 8.994,1043 0.79,1044 11.024,1045 2.67,1046 6.858,1047 8.127,1048 0.393,1049 12.913,1050 6.419,1051 10.393,1052 0.723,1053 12.812,1054 1.928,1055 8.273,1056 9.943,1057 3.236,1058 15.511,1059 7.786,1060 11.814,1061 0.669,1062 14.628,1063 1.833,1064 9.185,1065 11.094,1066 0.384,1067 17.727,1068 8.58,1069 13.251,1070 0.618,1071 16.463,1072 1.698,1073 10.43,1074 12.712,1075 4.018,1076 20.198,1077 9.759,1078 3.255,1079 -0.033,1080 18.312,1081 1.372,1082 11.486,1083 14.06,1084 0.351,1085 22.532,1086 10.709,1087 3.24,1088 11.349,1089 20.174,1090 -0.097,1091 12.674,1092 15.607,1093 4.826,1094 24.964,1095 11.819,1096 2.796,1097 11.107,1098 22.045,1099 4.641,1100 13.793,1101 17.049,1102 0.312,1103 27.346,1104 12.839,1105 2.641,1106 8.912,1107 23.923,1108 3.76,1109 14.964,1110 18.575,1111 5.643,1112 29.767,1113 13.927,1114 2.256,1115 8.008,1116 25.808,1117 3.627,1118 16.111,1119 20.062,1120 0.273,1121 32.169,1122 14.981,1123 2.143,1124 6.769,1125 27.697,1126 3.249,1127 17.278,1128 21.585,1129 6.465,1130 34.587,1131 16.063,1132 2.008,1133 6.014,1134 29.591,1135 3.007,1136 18.438,1137 23.094,1138 0.236,1139 36.999,1140 17.134,1141 11041,1142 19866,1143 22.364,1144 32.137,1145 51.378,1146 50.233,1147 50.53,1148 50.679,1149 50.454,1150 65.501,1151 5.998,1152 152.322,1153 46.727,1154 5.607,1155 6.015,1156 6.427,1157 5.276,1158 5.255,1159 7.641,1160 3.02,1161 18.766,1162 4.965,1163 12.483,1164 1.557,1165 1.522,1166 1.531,1167 1.536,1168 1.529,1169 1.985,1170 0.182,1171 4.616,1172 1.416,1173 4.148,1174 4.2,1175 4.229,1176 3.98,1177 8.358,1178 4.008,1179 3.923,1180 3.975,1181 4.093,1182 3.821,1183 7.999,1184 3.79,1185 3.819,1186 3.887,1187 3.781,1188 3.637,1189 5.138,1190 3.649,1191 3.74,1192 3.779,1193 3.752,1194 3.592,1195 4.965,1196 3.599,1197 3.396,1198 3.47,1199 3.301,1200 3.215,1201 4.802,1202 3.224,1203 3.166,1204 3.246,1205 3.116,1206 2.958,1207 4.467,1208 2.963,1209 2.957,1210 3.033,1211 2.973,1212 2.762,1213 4.179,1214 2.748,1215 2.892,1216 2.991,1217 2.723,1218 2.668,1219 3.999,1220 2.652,1221 0.142,1222 0.122,1223 0.207,1224 0.127,1225 0.099,1226 4.677,1227 0.141,1228 4.015,1229 0.046,1230 6.831,1231 0.344,1232 4.179,1233 0.092,1234 3.255,1235 4.641,1236 1.51,1237 11.349,1238 3.042,1239 1.882,1240 1.836,1241 1.952,1242 2.073,1243 1.126,1244 2.04,1245 1.64,1246 1.59,1247 1.82,1248 1.838,1249 1.077,1250 1.835,1251 1.586,1252 1.544,1253 1.744,1254 1.759,1255 1.047,1256 1.75,1257 1.535,1258 1.481,1259 1.695,1260 1.734,1261 0.8,1262 1.722,1263 1.377,1264 1.332,1265 1.556,1266 1.643,1267 0.741,1268 1.595,1269 1.253,1270 1.171,1271 1.467,1272 1.545,1273 0.593,1274 1.562,1275 1.232,1276 1.138,1277 1.43,1278 1.45,1279 0.44,1280 1.463,1281 1.116,1282 1.078,1283 1.26,1284 1.3,1285 0.312,1286 1.324,1287 4.205,1289 5.572,1290 3.714,1291 7.096,1292 6.009,1293 8.698,1294 8.032,1295 10.348,1297 1.912,1299 26.77,1303 0.501,1305 3.279,1309 1.73,1310 -2.596,1314 31.286,1315 84.948,1316 197.402,1317 238.311,1318 246.311,1319 246.311,1320 246.311,1321 47.164,1322 8.094,1323 87.03,1324 115.27,1325 26,1326 12.793,1327 4.392,1328 3.459,1329 39.767,1330 122,1331 115,1332 0.158,1333 190.928,1334 312.09,1335 457.625,1336 40160,1337 4.3,1338 20.01,1339 0.69,1340 0.565,1341 18.571,1342 16.379,1343 13.966,1344 0.423,1345 0.3,1346 9.001,1347 12.718,1348 8.771,1349 7.178,1350 13.713,1351 9.908,1352 13.74,1353 0.28,1354 0.163,1355 12.694,1356 7.984,1357 10.947,1358 0.171,1359 0.087,1360 11.009,1361 5.584,1362 9.848,1363 0.109,1364 0.047,1365 10.008,1366 4.187,1367 7.075,1368 0.069,1369 0.024,1370 7.019,1371 2.481,1372 0.25,1373 93.713,1374 0.211,1375 27.678,1376 0.425,1377 164,1378 591.619,1379 212.77,1380 541.959,1381 733.77,1382 506,1383 195,1384 530.029,1385 239.509,1386 538.328,1387 792.67,1388 505,1389 7}
{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 4,237 1,238 2,241 1,246 6,250 1,255 1,258 8,264 1,269 1,272 6,276 537,277 14.74,278 14.74,279 14.74,280 14.74,281 14.74,282 12.321,283 13.601,284 8.859,285 14.909,286 11.909,287 11.909,288 11.909,289 11.909,290 11.909,291 8.36,292 17.212,293 4.271,294 12.184,295 3.639,296 1.742,297 0.963,298 0.375,299 0.294,300 0.294,301 3.808,304 1,305 1,306 1,307 446,308 2,311 99.611,312 118.01,315 81.465,319 1.601,320 8.472,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 44.5,332 197,333 4.47,334 3.134,335 6.306,336 3.998,337 3.027,338 4.392,339 0.68,340 9.639,341 2.942,342 4.197,343 2.933,344 6.033,345 3.756,346 2.784,347 3.856,349 8.731,350 2.706,351 3.906,352 2.697,353 5.542,354 3.518,355 2.533,356 3.446,358 7.53,359 2.489,360 3.551,361 2.245,362 5.048,363 3.108,364 2.134,365 2.97,367 6.089,368 2.076,369 3.034,370 1.572,371 4.407,372 2.518,373 1.534,374 2.301,376 4.277,377 1.508,378 2.936,379 1.534,380 4.194,381 2.488,382 1.495,383 2.118,385 3.745,386 1.484,387 2.751,388 1.348,389 3.578,390 2.269,391 1.291,392 1.863,394 2.979,395 1.261,396 2.512,397 1.044,398 3.432,399 2,400 1.025,401 1.518,403 2.359,404 1,405 2.5,406 1,407 3.274,408 1.998,409 1,410 1.5,412 2.136,413 0.996,414 2.186,415 0.714,416 3.247,417 1.665,418 0.698,419 1.034,421 1.691,422 0.674,423 1.889,424 0.404,425 3.031,426 1.362,427 0.394,428 0.588,430 0.981,431 0.381,432 1.18,433 0.131,434 2.761,435 0.884,436 -0.109,437 -0.136,439 -0.288,440 -0.108,441 0.79,442 -0.555,443 2.466,444 0.328,445 -0.651,446 -0.897,448 -1.743,449 -0.635,450 0.578,451 -0.762,452 2.112,453 0.09,454 -0.897,455 -1.241,457 -2.251,458 -0.883,459 0.5,460 -0.911,461 1.611,462 0.041,463 -0.946,464 -1.368,466 -2.347,467 -0.935,468 10,469 0.476,470 0.376,471 0.018,472 31.25,473 1.488,474 18,475 0.857,476 13.25,477 0.631,478 12,479 0.571,480 20.6,481 0.606,482 19.175,483 0.913,484 6.383,485 0.304,486 3.999,487 0.19,490 0.29,496 0.561,497 0.887,498 0.682,499 0.857,500 0.633,501 0.801,502 0.885,503 1.22,504 0.857,505 1.067,506 0.845,507 0.979,508 1.047,509 1.163,510 1.111,511 1.169,512 1.023,513 1.153,514 1.208,515 1.061,516 1.037,517 0.982,518 1.108,519 0.984,520 1.045,521 0.99,522 0.903,523 0.898,524 1.063,525 0.883,526 1.362,527 1.019,528 1.037,529 0.893,530 1.187,531 0.914,532 1.226,533 0.74,534 1.063,535 0.799,536 1.15,537 0.887,538 0.652,539 0.865,540 1.069,541 1.115,542 0.875,543 1.145,544 3.5,545 0.04,546 1.778,547 0.917,548 0.769,549 0.348,550 0.321,551 0.122,552 0.056,553 0.078,554 5126,555 12956,556 2.246,557 38.2,559 8,560 1,561 1,562 1,563 2,567 1.626,568 2.211,569 3.236,570 -0.291,572 1,574 1,577 49.258,578 1.449,579 3.346,580 4.124,581 4.712,582 4.793,583 4.793,584 2.701,585 4.107,586 4.365,587 3.374,588 708.442,589 7.449,590 7553.57,591 1,592 1,593 1,594 1,595 172.974,596 0.863,597 4.366,598 0.146,599 0.004,600 0.054,601 0.033,602 0.032,603 0.016,604 0.016,605 0.008,606 0.004,607 0.006,608 0.319,609 0.83,610 1,612 95.579,613 0.353,614 0.213,615 0.078,616 0.047,617 0.142,618 0.028,619 -0.001,620 -0.173,621 -0.046,622 -0.142,623 -0.055,624 -0.108,625 -0.157,626 -0.187,627 -0.195,628 -0.206,629 -0.152,630 -0.206,631 -0.145,632 -0.109,633 -0.004,634 -0.01,635 -0.054,636 0.008,637 0.086,638 -0.012,639 0.125,640 0.058,641 0.065,642 0.089,643 -0.055,644 0.032,645 -0.048,646 0.004,647 0.021,648 -0.016,649 -0.042,650 0.268,651 -0.05,652 0.141,653 -0.022,654 0.064,655 -0.071,656 0.035,657 -0.156,658 -0.074,659 -0.146,660 -0.117,661 0.714,662 1.245,663 0.952,664 16.653,665 1.001,666 1.122,667 2.667,668 7.112,669 0.708,670 3.219,671 3.526,672 3.807,673 4.078,674 4.22,675 4.29,676 4.443,677 4.564,678 4.564,679 4.625,680 5.633,681 0.683,682 275.34,683 3.219,684 4.745,685 5.595,686 6.463,687 7.326,688 8.199,689 9.067,690 9.943,691 10.815,692 11.692,693 14.7,701 2,703 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 5,797 0.75,807 1,815 2,816 2,819 1,843 3,851 21,858 1,871 1,881 9.5,882 6.133,883 4.556,884 1.961,886 3.946,887 1.554,888 1.061,889 2.928,890 11.065,891 3.57,892 4.22,893 4.856,894 5.483,895 5.935,896 6.278,897 6.767,898 7.231,899 7.47,900 7.832,901 1,902 28,903 7.682,905 3.262,906 7.563,907 14.832,909 12.247,911 2.063,912 43.333,913 0.001,916 141.253,917 109.856,918 68.306,923 109.856,924 141.253,925 68.306,927 2.535,928 84.857,929 61.638,930 38.759,931 13.915,932 117.711,934 141.253,935 178.162,939 141.253,943 32.778,944 95.517,945 49.867,947 141.253,948 68.306,949 109.856,952 141.253,953 15.951,954 95.681,955 16.663,956 49.867,957 141.253,958 68.306,959 109.856,961 0.576,962 0.334,963 0.185,964 0.092,965 18,966 6,967 0.081,968 3,969 1,970 1.1,971 3.562,972 163.624,973 0.1,974 20,975 88.239,981 12.155,982 5.058,983 2.404,984 2.08,985 49.867,986 20.083,987 12.482,988 2.941,991 3.166,992 1.796,993 16.663,994 319.415,995 34.5,1007 34.043,1008 38.152,1009 0.285,1010 0.658,1011 0.811,1012 0.926,1013 0.942,1014 0.942,1015 4.764,1016 1.025,1017 5.549,1018 2.979,1019 4.205,1020 4.905,1021 0.655,1022 6.319,1023 4.159,1024 5.973,1025 1,1026 7.071,1027 2.359,1028 3.611,1029 4.559,1031 7.081,1032 3.528,1033 7.27,1034 0.698,1035 8.69,1036 2.136,1037 5.753,1038 7.157,1039 0.356,1040 10.176,1041 5.656,1042 8.607,1043 0.394,1044 10.368,1045 1.691,1046 6.043,1047 7.729,1049 11.794,1050 5.902,1051 9.976,1052 -0.109,1053 12.084,1054 0.981,1055 7.576,1056 9.687,1057 0.18,1058 14.345,1059 7.425,1060 11.369,1061 -0.651,1062 13.827,1063 -0.288,1064 8.274,1065 10.699,1067 16.308,1068 8.078,1069 12.78,1070 -0.897,1071 15.588,1072 -1.743,1073 9.55,1074 12.381,1075 0.087,1076 18.667,1077 9.342,1078 3.027,1079 -0.946,1080 17.363,1081 -2.251,1082 10.445,1083 13.615,1085 20.781,1086 10.195,1087 2.784,1088 9.639,1089 19.147,1090 -2.347,1091 11.609,1092 15.173,1093 0.041,1094 23.067,1095 11.341,1096 2.533,1097 8.731,1098 20.939,1099 4.392,1100 12.6,1101 16.521,1103 25.25,1104 12.294,1105 2.134,1106 7.53,1107 22.736,1108 3.856,1109 13.716,1110 18.023,1111 0.019,1112 27.509,1113 13.388,1114 1.534,1115 6.089,1116 24.538,1117 3.446,1118 14.755,1119 19.429,1121 29.725,1122 14.392,1123 1.495,1124 4.277,1125 26.344,1126 2.97,1127 15.852,1128 20.91,1129 0.009,1130 31.976,1131 15.464,1132 1.291,1133 3.745,1134 28.154,1135 2.301,1136 16.915,1137 22.346,1139 34.209,1140 16.495,1141 4697,1142 7597,1143 16.989,1144 24.074,1145 36.24,1146 35.752,1147 35.705,1148 35.822,1149 35.832,1150 51.174,1151 1.36,1152 100.312,1153 35.031,1154 5.231,1155 5.134,1156 6.108,1157 5.045,1158 5.027,1159 7.392,1160 1.36,1161 16.128,1162 4.942,1164 1.51,1165 1.49,1166 1.488,1167 1.493,1168 1.493,1169 2.132,1170 0.057,1171 4.18,1172 1.46,1173 4.124,1174 4.17,1175 4.088,1176 4.004,1177 5.15,1178 4.018,1179 3.94,1180 3.983,1181 3.881,1182 3.865,1183 5.029,1184 3.86,1185 3.774,1186 3.837,1187 3.728,1188 3.564,1189 4.738,1190 3.599,1191 3.307,1192 3.373,1193 3.226,1194 3.143,1195 4.329,1196 3.155,1197 3.046,1198 3.119,1199 2.914,1200 2.898,1201 3.8,1202 2.894,1203 2.909,1204 2.979,1205 2.788,1206 2.755,1207 3.754,1208 2.756,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.674,1214 2.715,1215 2.486,1216 2.583,1217 2.332,1218 2.259,1219 3.449,1220 2.259,1221 0.186,1222 0.131,1223 0.263,1224 0.167,1225 0.126,1226 4.47,1227 0.183,1228 3.134,1229 0.028,1230 6.306,1231 0.402,1232 3.998,1233 0.123,1234 3.027,1235 4.392,1236 0.68,1237 9.639,1238 2.942,1239 1.947,1240 1.921,1241 2.049,1242 2.045,1243 1.19,1244 2.041,1245 1.914,1246 1.886,1247 2.017,1248 1.995,1249 1.152,1250 2.01,1251 1.48,1252 1.434,1253 1.64,1254 1.675,1255 0.791,1256 1.646,1257 1.312,1258 1.23,1259 1.465,1260 1.606,1261 0.438,1262 1.587,1263 1.199,1264 1.13,1265 1.326,1266 1.498,1267 0.404,1268 1.441,1269 0.886,1270 0.821,1271 1.181,1272 1.075,1273 0.218,1274 1.107,1275 0.86,1276 0.798,1277 1.104,1278 1.062,1279 0.154,1280 1.092,1281 0.787,1282 0.696,1283 1.001,1284 1.05,1286 1.05,1287 3.892,1289 5.198,1290 3.045,1291 6.691,1292 5.283,1293 8.265,1294 7.273,1295 9.882,1303 0.787,1314 23.214,1315 49.258,1316 113.754,1317 140.219,1318 160.219,1319 162.974,1320 162.974,1321 19.931,1322 7.119,1323 59.39,1324 59.39,1325 22,1326 12.231,1327 4.459,1328 3.524,1329 28.192,1330 71,1331 65,1332 0.195,1333 142.299,1334 223.56,1335 338.97,1336 11728,1338 14.071,1339 0.67,1340 0.537,1341 14.071,1342 11.269,1343 10.382,1344 0.433,1345 0.282,1346 6.689,1347 10.018,1348 6.56,1349 5.455,1350 10.382,1351 6.77,1352 9.203,1353 0.279,1354 0.15,1355 9.203,1356 4.958,1357 7.97,1358 0.181,1359 0.079,1360 7.97,1361 3.457,1362 6.817,1363 0.118,1364 0.041,1365 6.817,1366 2.383,1367 5.099,1368 0.076,1369 0.022,1370 5.099,1371 1.502,1372 0.307,1373 64.73,1374 0.243,1375 21.045,1376 0.53,1377 114,1378 306.913,1379 123.02,1380 308.196,1381 437.15,1382 290,1383 134,1384 345.263,1385 144.63,1386 349.874,1387 502.88,1388 329,1389 5.1}
{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 4,237 2,238 1,241 2,246 8,258 9,264 1,269 1,272 6,276 537,277 14.74,278 14.74,279 14.74,280 14.74,281 14.74,282 12.321,283 8.381,284 8.859,285 14.899,286 11.909,287 11.909,288 11.909,289 11.909,290 11.909,291 8.36,292 13.558,293 4.271,294 12.168,295 3.639,296 1.742,297 0.963,298 0.375,299 0.294,300 0.294,301 3.808,304 1,305 1,306 1,307 446,308 2,311 99.611,312 118.01,315 81.465,319 1.601,320 8.518,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 44.5,332 197,333 4.47,334 3.053,335 6.306,336 4.009,337 3.027,338 4.392,339 0.522,340 9.639,341 2.974,342 4.197,343 2.897,344 6.033,345 3.753,346 2.784,347 3.856,349 8.731,350 2.695,351 3.906,352 2.642,353 5.542,354 3.522,355 2.533,356 3.446,358 7.53,359 2.505,360 3.551,361 2.184,362 5.048,363 3.108,364 2.134,365 2.97,367 6.089,368 2.074,369 3.034,370 1.565,371 4.407,372 2.518,373 1.534,374 2.301,376 4.277,377 1.508,378 2.936,379 1.534,380 4.194,381 2.482,382 1.495,383 2.118,385 3.745,386 1.476,387 2.751,388 1.327,389 3.578,390 2.262,391 1.291,392 1.863,394 2.979,395 1.251,396 2.512,397 1.035,398 3.432,399 2,400 1.025,401 1.518,403 2.359,404 1,405 2.5,406 1,407 3.274,408 1.99,409 1,410 1.5,412 2.136,413 0.986,414 2.186,415 0.703,416 3.247,417 1.678,418 0.698,419 1.034,421 1.691,422 0.683,423 1.889,424 0.397,425 3.031,426 1.366,427 0.394,428 0.588,430 0.981,431 0.382,432 1.18,433 0.104,434 2.761,435 0.863,436 -0.109,437 -0.136,439 -0.288,440 -0.105,441 0.79,442 -0.63,443 2.466,444 0.343,445 -0.651,446 -0.897,448 -1.743,449 -0.647,450 0.578,451 -0.821,452 2.112,453 0.081,454 -0.897,455 -1.241,457 -2.251,458 -0.876,459 0.5,460 -0.923,461 1.611,462 0.026,463 -0.946,464 -1.368,466 -2.347,467 -0.918,468 10,469 0.476,470 0.376,471 0.018,472 31.25,473 1.488,474 18,475 0.857,476 13.25,477 0.631,478 11.838,479 0.564,480 20.6,481 0.606,482 19.336,483 0.921,484 6.401,485 0.305,486 3.981,487 0.19,490 0.29,496 0.561,497 0.887,498 0.682,499 0.857,500 0.637,501 0.801,502 0.986,503 1.129,504 0.88,505 0.989,506 0.875,507 0.933,508 0.931,509 1.198,510 1.091,511 1.222,512 0.998,513 1.187,514 1.185,515 1.117,516 1.028,517 1.018,518 1.09,519 1.004,520 1.38,521 1.074,522 0.943,523 0.843,524 1.126,525 0.833,526 1.277,527 1.044,528 1.023,529 0.932,530 1.178,531 0.939,532 0.968,533 0.573,534 1.043,535 0.787,536 1.103,537 0.898,538 0.652,539 0.865,540 1.069,541 1.115,542 0.875,543 1.145,544 3.5,545 0.04,546 1.778,547 0.917,548 0.769,549 0.348,550 0.321,551 0.122,552 0.056,553 0.078,554 5126,555 12980,556 2.246,557 38.2,559 10,560 1,561 1,562 1,567 1.626,568 2.211,569 3.236,570 -0.291,572 1,574 1,577 49.258,578 1.449,579 3.346,580 4.124,581 4.712,582 4.793,583 4.793,584 2.701,585 4.107,586 4.365,587 3.374,588 708.442,589 7.449,590 7553.57,591 1,592 1,593 1,594 1,595 172.974,596 0.863,597 4.366,598 0.146,599 0.004,600 0.054,601 0.033,602 0.032,603 0.016,604 0.016,605 0.008,606 0.004,607 0.006,608 0.319,609 0.83,610 1,612 95.579,613 0.353,614 0.213,615 0.078,616 0.047,617 0.138,618 0.028,619 -0.064,620 -0.072,621 -0.065,622 -0.07,623 -0.084,624 -0.068,625 -0.105,626 -0.235,627 -0.183,628 -0.247,629 -0.131,630 -0.23,631 -0.12,632 -0.166,633 0.005,634 -0.048,635 -0.035,636 -0.012,637 -0.176,638 -0.082,639 0.094,640 0.098,641 0.005,642 0.127,643 -0.018,644 -0.003,645 -0.039,646 -0.026,647 0.027,648 -0.034,649 0.224,650 0.441,651 -0.029,652 0.154,653 0.026,654 0.052,655 -0.071,656 0.035,657 -0.156,658 -0.074,659 -0.146,660 -0.117,661 0.797,662 1.256,663 0.952,664 16.653,665 1.001,666 1.122,667 2.667,668 7.112,669 0.708,670 3.219,671 3.526,672 3.807,673 4.078,674 4.22,675 4.29,676 4.443,677 4.564,678 4.564,679 4.625,680 5.633,681 0.683,682 275.34,683 3.219,684 4.745,685 5.595,686 6.463,687 7.326,688 8.199,689 9.067,690 9.943,691 10.815,692 11.692,693 14.7,701 2,703 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 5,797 0.75,807 1,815 2,816 2,819 1,843 3,851 21,858 1,871 1,881 9.5,882 6.133,883 4.556,884 1.948,886 3.946,887 1.554,888 1.061,889 2.928,890 11.065,891 3.57,892 4.22,893 4.856,894 5.483,895 5.935,896 6.278,897 6.767,898 7.231,899 7.47,900 7.832,901 1,902 28,903 7.683,905 3.262,906 7.563,907 14.832,909 12.244,911 2.063,912 43.333,913 0.001,916 141.253,917 109.856,918 68.306,923 109.856,924 141.253,925 68.306,927 2.106,928 84.857,929 61.638,930 39.188,931 13.915,932 117.711,934 141.253,935 178.162,939 141.253,943 32.349,944 95.946,945 49.867,947 141.253,948 68.306,949 109.856,952 141.253,953 15.951,954 95.681,955 16.663,956 49.867,957 141.253,958 68.306,959 109.856,961 0.576,962 0.334,963 0.185,964 0.092,965 18,966 6,967 0.081,968 3,969 1,970 1.1,971 3.562,972 163.624,973 0.1,974 20,975 88.239,981 12.155,982 5.058,983 2.404,984 2.098,985 49.867,986 20.108,987 12.486,988 2.945,991 3.122,992 1.851,993 16.663,994 319.415,995 34.5,1007 34.043,1008 38.152,1009 0.285,1010 0.658,1011 0.811,1012 0.926,1013 0.942,1014 0.942,1015 4.764,1016 1.025,1017 5.549,1018 2.979,1019 4.205,1020 4.905,1021 0.434,1022 6.319,1023 4.162,1024 5.973,1025 1,1026 7.071,1027 2.359,1028 3.611,1029 4.559,1031 7.081,1032 3.546,1033 7.27,1034 0.698,1035 8.69,1036 2.136,1037 5.753,1038 7.157,1039 0.138,1040 10.176,1041 5.668,1042 8.607,1043 0.394,1044 10.368,1045 1.691,1046 6.043,1047 7.729,1049 11.794,1050 5.932,1051 9.976,1052 -0.109,1053 12.084,1054 0.981,1055 7.576,1056 9.687,1057 0.039,1058 14.345,1059 7.45,1060 11.369,1061 -0.651,1062 13.827,1063 -0.288,1064 8.274,1065 10.699,1067 16.308,1068 8.121,1069 12.78,1070 -0.897,1071 15.588,1072 -1.743,1073 9.55,1074 12.381,1075 0.011,1076 18.667,1077 9.384,1078 3.027,1079 -0.946,1080 17.363,1081 -2.251,1082 10.445,1083 13.615,1085 20.781,1086 10.253,1087 2.784,1088 9.639,1089 19.147,1090 -2.347,1091 11.609,1092 15.173,1093 0.003,1094 23.067,1095 11.402,1096 2.533,1097 8.731,1098 20.939,1099 4.392,1100 12.6,1101 16.521,1103 25.25,1104 12.37,1105 2.134,1106 7.53,1107 22.736,1108 3.856,1109 13.716,1110 18.023,1111 0.001,1112 27.509,1113 13.469,1114 1.534,1115 6.089,1116 24.538,1117 3.446,1118 14.755,1119 19.429,1121 29.725,1122 14.487,1123 1.495,1124 4.277,1125 26.344,1126 2.97,1127 15.852,1128 20.91,1130 31.976,1131 15.567,1132 1.291,1133 3.745,1134 28.154,1135 2.301,1136 16.915,1137 22.346,1139 34.209,1140 16.611,1141 4697,1142 7599,1143 16.989,1144 24.074,1145 36.24,1146 35.803,1147 35.705,1148 35.836,1149 35.832,1150 51.174,1151 1.043,1152 100.312,1153 35.066,1154 5.231,1155 5.053,1156 6.108,1157 5.033,1158 5.027,1159 7.392,1160 1.043,1161 16.128,1162 4.974,1164 1.51,1165 1.492,1166 1.488,1167 1.493,1168 1.493,1169 2.132,1170 0.043,1171 4.18,1172 1.461,1173 4.12,1174 4.163,1175 4.083,1176 4.013,1177 5.144,1178 4.024,1179 3.947,1180 3.998,1181 3.89,1182 3.856,1183 5.035,1184 3.853,1185 3.771,1186 3.829,1187 3.723,1188 3.562,1189 4.736,1190 3.6,1191 3.314,1192 3.384,1193 3.234,1194 3.129,1195 4.331,1196 3.144,1197 3.039,1198 3.106,1199 2.908,1200 2.915,1201 3.811,1202 2.905,1203 2.909,1204 2.98,1205 2.789,1206 2.748,1207 3.757,1208 2.753,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.674,1214 2.715,1215 2.485,1216 2.582,1217 2.332,1218 2.268,1219 3.428,1220 2.264,1221 0.186,1222 0.127,1223 0.263,1224 0.167,1225 0.126,1226 4.47,1227 0.183,1228 3.053,1229 0.022,1230 6.306,1231 0.402,1232 4.009,1233 0.124,1234 3.027,1235 4.392,1236 0.522,1237 9.639,1238 2.974,1239 1.953,1240 1.931,1241 2.047,1242 2.031,1243 1.187,1244 2.036,1245 1.911,1246 1.881,1247 2.022,1248 2.004,1249 1.152,1250 2.012,1251 1.46,1252 1.401,1253 1.62,1254 1.701,1255 0.761,1256 1.676,1257 1.312,1258 1.23,1259 1.465,1260 1.643,1261 0.49,1262 1.593,1263 1.222,1264 1.166,1265 1.352,1266 1.426,1267 0.406,1268 1.395,1269 0.886,1270 0.821,1271 1.181,1272 1.073,1273 0.218,1274 1.107,1275 0.855,1276 0.785,1277 1.101,1278 1.065,1279 0.139,1280 1.091,1281 0.784,1282 0.695,1283 0.996,1284 1.062,1286 1.064,1287 3.892,1289 5.198,1290 3.045,1291 6.691,1292 5.283,1293 8.265,1294 7.273,1295 9.882,1303 0.724,1314 23.214,1315 49.258,1316 113.754,1317 140.219,1318 160.219,1319 162.974,1320 162.974,1321 19.905,1322 7.119,1323 59.39,1324 59.39,1325 22,1326 12.231,1327 4.459,1328 3.524,1329 28.192,1330 71,1331 65,1332 0.195,1333 142.299,1334 223.56,1335 338.97,1336 11728,1338 14.071,1339 0.67,1340 0.537,1341 14.071,1342 11.269,1343 10.382,1344 0.433,1345 0.282,1346 6.675,1347 10.017,1348 6.545,1349 5.444,1350 10.382,1351 6.759,1352 9.203,1353 0.279,1354 0.15,1355 9.203,1356 4.959,1357 7.97,1358 0.181,1359 0.079,1360 7.97,1361 3.462,1362 6.817,1363 0.118,1364 0.041,1365 6.817,1366 2.38,1367 5.099,1368 0.076,1369 0.022,1370 5.099,1371 1.504,1372 0.307,1373 64.768,1374 0.243,1375 21.045,1376 0.53,1377 114,1378 306.913,1379 122.687,1380 308.238,1381 436.31,1382 290,1383 134,1384 342.558,1385 144.463,1386 348.256,1387 500.37,1388 327,1389 5.1}
{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 4,237 2,238 1,240 2,241 4,246 8,258 9,264 1,269 2,272 6,274 1,276 614,277 15.24,278 15.24,279 15.24,280 15.24,281 15.24,282 12.776,283 11.544,284 9.033,285 15.43,286 12.376,287 12.376,288 12.376,289 12.376,290 12.376,291 8.751,292 16.058,293 4.343,294 12.682,295 3.689,296 1.647,297 0.965,298 0.41,299 0.333,300 0.333,301 3.848,304 1,305 1,306 1,307 469,308 2.121,311 104.757,312 124.524,315 85.729,319 1.636,320 11.762,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 47,332 209,333 4.56,334 3.131,335 6.522,336 4.086,337 3.107,338 4.511,339 0.522,340 10.235,341 3.042,342 4.23,343 2.959,344 6.134,345 3.811,346 2.846,347 3.876,349 9.05,350 2.746,351 3.913,352 2.69,353 5.546,354 3.539,355 2.551,356 3.45,358 7.549,359 2.521,360 3.577,361 2.213,362 5.053,363 3.13,364 2.156,365 3.009,367 6.105,368 2.094,369 3.297,370 1.939,371 4.949,372 2.825,373 1.869,374 2.634,376 5.409,377 1.783,378 2.939,379 1.563,380 4.287,381 2.483,382 1.496,383 2.123,385 3.94,386 1.476,387 2.78,388 1.35,389 3.996,390 2.292,391 1.317,392 1.906,394 3.16,395 1.281,396 2.604,397 1.17,398 3.576,399 2.11,400 1.139,401 1.651,403 2.932,404 1.103,405 2.5,406 1,407 3.279,408 2,409 1,410 1.5,412 2.136,413 1,414 2.206,415 0.757,416 3.247,417 1.711,418 0.734,419 1.069,421 1.738,422 0.716,423 2.082,424 0.632,425 3.216,426 1.594,427 0.61,428 0.889,430 1.488,431 0.599,432 1.185,433 0.111,434 2.774,435 0.87,436 -0.102,437 -0.127,439 -0.269,440 -0.098,441 0.937,442 -0.327,443 2.484,444 0.536,445 -0.433,446 -0.563,448 -1.039,449 -0.417,450 0.652,451 -0.746,452 2.171,453 0.18,454 -0.809,455 -1.104,457 -2.168,458 -0.799,459 0.5,460 -0.828,461 2,462 0.056,463 -0.912,464 -1.247,466 -2.347,467 -0.882,468 10.4,469 0.473,470 0.465,471 0.021,472 32.5,473 1.477,474 18.5,475 0.841,476 14,477 0.636,478 12.908,479 0.587,480 22,481 0.611,482 21.101,483 0.959,484 6.643,485 0.302,486 4.15,487 0.189,488 0.038,490 0.327,496 0.747,497 0.882,498 0.722,499 0.811,500 0.996,501 0.771,502 0.828,503 1.131,504 0.813,505 1.006,506 0.692,507 0.926,508 0.965,509 1.187,510 1.06,511 1.183,512 0.948,513 1.146,514 1.215,515 1.141,516 1.077,517 1.054,518 1.048,519 1.045,520 1.267,521 1.108,522 0.951,523 0.905,524 1.013,525 0.883,526 1.074,527 1.036,528 0.979,529 0.971,530 0.961,531 0.962,532 0.87,533 0.563,534 1.026,535 0.806,536 1.059,537 0.915,538 0.943,539 0.792,540 1.1,541 0.979,542 0.874,543 1.048,544 4,545 0.073,546 2.222,547 1.264,548 0.809,549 0.521,550 0.347,551 0.194,552 0.056,553 0.118,554 5655,555 14700,556 2.205,557 38.9,559 10,560 1,562 3,567 1.64,568 2.129,569 3.241,570 1.069,571 1,572 1,574 1,577 53.305,578 1.481,579 3.523,580 4.205,581 4.76,582 4.837,583 4.837,584 2.698,585 4.187,586 4.432,587 3.402,588 785.953,589 7.588,590 8673.32,591 1,592 1,593 1,594 1,595 186.117,596 1.143,597 4.418,598 0.16,599 0.006,600 0.063,601 0.041,602 0.031,603 0.022,604 0.016,605 0.011,606 0.004,607 0.009,608 0.363,609 0.67,610 1,611 0.405,612 101.742,613 0.199,614 0.266,615 0.051,616 0.118,617 -0.096,618 0.072,619 0.043,620 -0.051,621 0.003,622 -0.049,623 0.02,624 -0.033,625 -0.08,626 -0.185,627 -0.158,628 -0.211,629 -0.041,630 -0.2,631 -0.174,632 -0.188,633 -0.067,634 -0.094,635 -0.099,636 -0.069,637 -0.163,638 -0.143,639 0.069,640 0.042,641 -0.019,642 0.083,643 0.079,644 -0.027,645 0.008,646 -0.047,647 0.127,648 -0.034,649 0.328,650 0.444,651 -0.011,652 0.119,653 0.076,654 0.023,655 -0.177,656 0.139,657 -0.144,658 0.049,659 -0.144,660 -0.025,661 1.103,662 1.871,663 0.909,664 17.901,665 1.004,666 1.129,667 2.569,668 6.599,669 0.697,670 3.258,671 3.584,672 3.871,673 4.143,674 4.304,675 4.369,676 4.522,677 4.663,678 4.691,679 4.718,680 5.767,681 0.673,682 290.36,683 3.258,684 4.796,685 5.652,686 6.529,687 7.401,688 8.282,689 9.159,690 10.044,691 10.924,692 11.811,693 16.7,697 1,701 2,703 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 6,797 0.75,807 1,815 2,816 2,819 1,843 3,851 22,852 1,858 1,871 1,881 10.333,882 6.383,883 4.75,884 1.994,886 3.955,887 1.546,888 1.065,889 3.13,890 11.197,891 3.597,892 4.263,893 4.907,894 5.538,895 6.008,896 6.352,897 6.843,898 7.319,899 7.595,900 7.911,901 1,902 31,903 8.042,905 3.434,906 7.636,907 15.4,909 12.722,911 2.136,912 47,916 129.482,917 103.136,918 101.203,923 103.136,924 129.482,925 101.203,927 2.106,928 117.755,929 49.867,930 34.612,931 11.771,932 117.711,934 129.482,935 204.339,939 129.482,943 27.774,944 126.699,945 49.867,947 129.482,948 101.203,949 103.136,952 129.482,953 18.279,954 86.634,955 16.663,956 82.764,957 129.482,958 101.203,959 103.136,961 0.582,962 0.34,963 0.185,964 0.095,965 19,966 7,967 0.077,968 3,969 1,970 1.1,971 3.599,972 175.739,973 0.1,974 20,975 94.107,981 13.044,982 5.279,983 2.502,984 1.744,985 82.764,986 17.98,987 12.558,988 2.78,991 3.542,992 1.827,993 49.56,994 333.821,995 35.5,1007 36.145,1008 40.651,1009 0.286,1010 0.681,1011 0.813,1012 0.921,1013 0.936,1014 0.936,1015 4.806,1016 1.139,1017 5.624,1018 3.16,1019 4.263,1020 4.949,1021 0.434,1022 6.418,1023 4.214,1024 6.028,1025 1,1026 7.166,1027 2.932,1028 3.761,1029 4.691,1031 7.248,1032 3.677,1033 7.336,1034 0.734,1035 8.806,1036 2.136,1037 5.838,1038 7.221,1039 0.138,1040 10.348,1041 5.742,1042 8.685,1043 0.61,1044 10.505,1045 1.738,1046 6.196,1047 7.861,1049 12.034,1050 6.065,1051 10.067,1052 -0.102,1053 12.243,1054 1.488,1055 7.699,1056 9.787,1057 0.039,1058 14.615,1059 7.556,1060 11.472,1061 -0.433,1062 14.007,1063 -0.269,1064 8.453,1065 10.858,1067 16.651,1068 8.277,1069 12.896,1070 -0.809,1071 15.791,1072 -1.039,1073 9.721,1074 12.529,1075 0.011,1076 19.053,1077 9.531,1078 3.107,1079 -0.912,1080 17.589,1081 -2.168,1082 10.663,1083 13.815,1085 21.24,1086 10.442,1087 2.846,1088 10.235,1089 19.398,1090 -2.347,1091 11.833,1092 15.378,1093 0.003,1094 23.577,1095 11.596,1096 2.551,1097 9.05,1098 21.217,1099 4.511,1100 12.864,1101 16.771,1103 25.83,1104 12.599,1105 2.156,1106 7.549,1107 23.042,1108 3.876,1109 13.995,1110 18.29,1111 0.001,1112 28.146,1113 13.712,1114 1.869,1115 6.105,1116 24.874,1117 3.45,1118 15.068,1119 19.735,1121 30.43,1122 14.76,1123 1.496,1124 5.409,1125 26.711,1126 3.009,1127 16.187,1128 21.238,1130 32.741,1131 15.859,1132 1.317,1133 3.94,1134 28.551,1135 2.634,1136 17.281,1137 22.71,1139 35.04,1140 16.93,1141 5231,1142 8564,1143 17.394,1144 25.08,1145 38.135,1146 37.608,1147 38.008,1148 37.688,1149 37.648,1150 53.238,1151 1.043,1152 107.483,1153 36.724,1154 5.321,1155 5.131,1156 6.324,1157 5.11,1158 5.107,1159 7.511,1160 1.043,1161 16.761,1162 5.042,1163 5.858,1164 1.525,1165 1.504,1166 1.52,1167 1.508,1168 1.506,1169 2.13,1170 0.042,1171 4.299,1172 1.469,1173 4.122,1174 4.165,1175 4.091,1176 4.013,1177 5.249,1178 4.026,1179 3.948,1180 4,1181 3.893,1182 3.856,1183 5.086,1184 3.853,1185 3.774,1186 3.832,1187 3.726,1188 3.565,1189 4.746,1190 3.604,1191 3.374,1192 3.449,1193 3.29,1194 3.168,1195 4.727,1196 3.189,1197 3.065,1198 3.137,1199 2.937,1200 2.931,1201 4.283,1202 2.924,1203 2.897,1204 2.991,1205 2.786,1206 2.735,1207 3.803,1208 2.728,1209 2.854,1210 2.925,1211 2.687,1212 2.721,1213 3.674,1214 2.715,1215 2.687,1216 2.815,1217 2.456,1218 2.349,1219 3.662,1220 2.362,1221 0.182,1222 0.125,1223 0.261,1224 0.163,1225 0.124,1226 4.56,1227 0.18,1228 3.131,1229 0.021,1230 6.522,1231 0.409,1232 4.086,1233 0.122,1234 3.107,1235 4.511,1236 0.522,1237 10.235,1238 3.042,1239 1.946,1240 1.925,1241 2.046,1242 2.023,1243 1.181,1244 2.031,1245 1.911,1246 1.881,1247 2.01,1248 1.996,1249 1.146,1250 2.003,1251 1.459,1252 1.4,1253 1.618,1254 1.748,1255 0.759,1256 1.697,1257 1.394,1258 1.308,1259 1.546,1260 1.695,1261 0.492,1262 1.67,1263 1.212,1264 1.153,1265 1.335,1266 1.438,1267 0.415,1268 1.398,1269 0.886,1270 0.821,1271 1.181,1272 1.112,1273 0.218,1274 1.107,1275 0.831,1276 0.761,1277 1.059,1278 1.07,1279 0.072,1280 1.101,1281 0.771,1282 0.687,1283 1.039,1284 1.062,1285 0.016,1286 1.065,1287 3.932,1289 5.252,1290 3.045,1291 6.758,1292 5.352,1293 8.345,1294 7.391,1295 9.975,1301 5.871,1303 0.698,1314 24.236,1315 53.305,1316 126.833,1317 151.362,1318 171.362,1319 174.117,1320 174.117,1321 23.409,1322 7.242,1323 85.41,1324 85.41,1325 22,1326 12.343,1327 4.459,1328 3.524,1329 30.076,1330 76,1331 72,1332 0.194,1333 149.094,1334 234.56,1335 355.548,1336 13554,1338 14.941,1339 0.679,1340 0.535,1341 14.941,1342 11.769,1343 10.793,1344 0.432,1345 0.279,1346 6.882,1347 10.399,1348 6.753,1349 5.614,1350 10.793,1351 6.975,1352 9.731,1353 0.278,1354 0.147,1355 9.731,1356 5.156,1357 8.452,1358 0.18,1359 0.077,1360 8.452,1361 3.605,1362 7.127,1363 0.115,1364 0.04,1365 7.127,1366 2.468,1367 5.489,1368 0.075,1369 0.022,1370 5.489,1371 1.585,1372 0.305,1373 67.475,1374 0.24,1375 21.857,1376 0.529,1377 120,1378 324.226,1379 130.102,1380 326.55,1381 461.86,1382 306,1383 142,1384 364.756,1385 153.823,1386 370.396,1387 534.41,1388 348,1389 5.1}
{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 7,237 1,238 1,241 1,246 8,250 1,255 1,258 9,264 1,269 1,272 6,276 537,277 14.74,278 14.74,279 14.74,280 14.74,281 14.74,282 12.321,283 7.276,284 8.859,285 14.842,286 11.909,287 11.909,288 11.909,289 11.909,290 11.909,291 8.36,292 10.294,293 4.271,294 12.063,295 3.598,296 1.875,297 1.097,298 0.375,299 0.294,300 0.294,301 3.808,304 1,305 1,306 1,307 446,308 2,311 99.611,312 118.01,315 81.465,319 1.601,320 9.794,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 44.5,332 197,333 4.47,334 3.079,335 6.306,336 4.018,337 3.027,338 4.392,339 0.68,340 9.639,341 3.001,342 4.197,343 2.927,344 6.033,345 3.768,346 2.784,347 3.856,349 8.731,350 2.737,351 3.906,352 2.644,353 5.542,354 3.529,355 2.533,356 3.446,358 7.53,359 2.523,360 3.551,361 2.219,362 5.048,363 3.115,364 2.134,365 2.97,367 6.089,368 2.091,369 3.034,370 1.572,371 4.407,372 2.518,373 1.534,374 2.301,376 4.277,377 1.509,378 2.936,379 1.534,380 4.194,381 2.492,382 1.495,383 2.118,385 3.745,386 1.489,387 2.751,388 1.343,389 3.578,390 2.276,391 1.291,392 1.863,394 2.979,395 1.27,396 2.512,397 1.042,398 3.432,399 2,400 1.025,401 1.518,403 2.359,404 1,405 2.5,406 1,407 3.274,408 2,409 1,410 1.5,412 2.136,413 0.997,414 2.186,415 0.707,416 3.247,417 1.686,418 0.698,419 1.034,421 1.691,422 0.689,423 1.889,424 0.399,425 3.031,426 1.367,427 0.394,428 0.588,430 0.981,431 0.383,432 1.18,433 0.128,434 2.761,435 0.886,436 -0.109,437 -0.136,439 -0.288,440 -0.108,441 0.79,442 -0.611,443 2.466,444 0.344,445 -0.651,446 -0.897,448 -1.743,449 -0.647,450 0.578,451 -0.766,452 2.112,453 0.093,454 -0.897,455 -1.241,457 -2.251,458 -0.885,459 0.5,460 -0.92,461 1.611,462 0.042,463 -0.946,464 -1.368,466 -2.347,467 -0.936,468 10.033,469 0.478,470 0.376,471 0.018,472 31.25,473 1.488,474 18,475 0.857,476 13.25,477 0.631,478 12.081,479 0.575,480 20.567,481 0.605,482 19.094,483 0.909,484 6.383,485 0.304,486 3.999,487 0.19,490 0.299,496 0.587,497 0.844,498 0.682,499 0.825,500 0.649,501 0.779,502 0.848,503 1.167,504 0.845,505 1.066,506 0.849,507 0.974,508 0.969,509 1.105,510 1.099,511 1.165,512 1,513 1.153,514 1.336,515 1.006,516 1.05,517 0.997,518 1.172,519 0.997,520 1.251,521 0.993,522 0.91,523 0.941,524 1.115,525 0.888,526 1.517,527 0.996,528 1.044,529 0.954,530 1.266,531 0.951,532 1.36,533 0.744,534 1.082,535 0.825,536 1.21,537 0.907,538 0.603,539 0.97,540 1.065,541 1.105,542 0.838,543 1.148,544 3.5,545 0.04,546 1.778,547 0.917,548 0.769,549 0.348,550 0.321,551 0.122,552 0.056,553 0.078,554 5126,555 12986,556 2.246,557 38.2,559 9,561 1,562 1,563 2,567 1.626,568 2.211,569 3.236,570 -0.338,572 1,574 1,577 50.626,578 1.489,579 3.213,580 3.991,581 4.712,582 4.793,583 4.793,584 2.701,585 4.107,586 4.365,587 3.374,588 708.442,589 7.449,590 7553.57,591 1,592 1,593 1,594 1,595 172.974,596 0.863,597 4.366,598 0.146,599 0.004,600 0.054,601 0.033,602 0.032,603 0.016,604 0.016,605 0.008,606 0.004,607 0.006,608 0.319,609 0.83,610 1,612 95.579,613 0.271,614 0.19,615 0.07,616 0.075,617 0.13,618 0.047,619 -0.041,620 -0.173,621 -0.044,622 -0.144,623 -0.063,624 -0.102,625 -0.1,626 -0.149,627 -0.187,628 -0.203,629 -0.127,630 -0.204,631 -0.132,632 -0.076,633 -0.01,635 -0.067,636 0.007,637 -0.064,638 -0.028,639 0.12,640 0.038,641 0.037,642 0.097,643 0.112,644 -0.011,645 -0.033,646 -0.007,647 0.058,648 -0.038,649 -0.068,650 0.262,651 -0.059,652 0.133,653 -0.046,654 0.048,655 -0.054,656 -0.069,657 -0.154,658 -0.096,659 -0.137,660 -0.135,661 0.885,662 1.968,663 0.952,664 16.653,665 1.001,666 1.111,667 2.886,668 8.328,669 0.714,670 3.219,671 3.526,672 3.807,673 4.078,674 4.22,675 4.29,676 4.443,677 4.564,678 4.564,679 4.625,680 5.633,681 0.689,682 275.33,683 3.219,684 4.745,685 5.595,686 6.463,687 7.326,688 8.199,689 9.067,690 9.943,691 10.815,692 11.692,693 8.8,701 1,703 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 3,797 0.75,798 1,807 1,815 2,816 2,819 1,843 3,851 21,858 1,874 2.9,879 1,881 9.5,882 6.15,883 4.556,884 1.985,886 3.946,887 1.554,888 1.059,889 2.964,890 11.065,891 3.57,892 4.22,893 4.856,894 5.483,895 5.935,896 6.278,897 6.767,898 7.231,899 7.47,900 7.832,901 1,902 28,903 7.693,905 3.28,906 7.571,907 14.857,909 12.328,911 2.071,912 43.5,913 0.001,916 141.253,917 116.162,918 52.923,920 9.734,923 116.162,924 150.987,925 52.923,927 2.535,928 85.286,929 48.031,930 47.145,931 7.593,932 129.482,934 141.253,935 169.085,936 9.734,939 141.253,940 9.734,943 31.002,944 101.823,945 36.26,947 141.253,948 62.657,949 116.162,952 141.253,953 21.828,954 94.334,955 16.663,956 45.994,957 141.253,958 62.657,959 116.162,961 0.576,962 0.334,963 0.185,964 0.092,965 18,966 6,967 0.081,968 3,969 1,970 1.1,971 3.562,972 163.624,973 0.1,974 20,975 88.239,981 12.215,982 5.095,983 2.426,984 2.08,985 45.994,986 20.103,987 8.183,988 2.94,989 5.468,991 3.95,993 16.663,994 320.072,995 34.5,1007 34.051,1008 37.78,1009 0.293,1010 0.631,1011 0.784,1012 0.926,1013 0.942,1014 0.942,1015 4.764,1016 1.025,1017 5.549,1018 2.979,1019 4.205,1020 4.905,1021 0.655,1022 6.319,1023 4.181,1024 5.973,1025 1,1026 7.071,1027 2.359,1028 3.611,1029 4.559,1031 7.081,1032 3.578,1033 7.27,1034 0.698,1035 8.69,1036 2.136,1037 5.753,1038 7.157,1039 0.356,1040 10.176,1041 5.707,1042 8.607,1043 0.394,1044 10.368,1045 1.691,1046 6.043,1047 7.729,1049 11.794,1050 5.986,1051 9.976,1052 -0.109,1053 12.084,1054 0.981,1055 7.576,1056 9.687,1057 0.18,1058 14.345,1059 7.511,1060 11.369,1061 -0.651,1062 13.827,1063 -0.288,1064 8.274,1065 10.699,1067 16.308,1068 8.196,1069 12.78,1070 -0.897,1071 15.588,1072 -1.743,1073 9.55,1074 12.381,1075 0.087,1076 18.667,1077 9.466,1078 3.027,1079 -0.946,1080 17.363,1081 -2.251,1082 10.445,1083 13.615,1085 20.781,1086 10.348,1087 2.784,1088 9.639,1089 19.147,1090 -2.347,1091 11.609,1092 15.173,1093 0.041,1094 23.067,1095 11.505,1096 2.533,1097 8.731,1098 20.939,1099 4.392,1100 12.6,1101 16.521,1103 25.25,1104 12.484,1105 2.134,1106 7.53,1107 22.736,1108 3.856,1109 13.716,1110 18.023,1111 0.019,1112 27.509,1113 13.592,1114 1.534,1115 6.089,1116 24.538,1117 3.446,1118 14.755,1119 19.429,1121 29.725,1122 14.62,1123 1.495,1124 4.277,1125 26.344,1126 2.97,1127 15.852,1128 20.91,1129 0.009,1130 31.976,1131 15.709,1132 1.291,1133 3.745,1134 28.154,1135 2.301,1136 16.915,1137 22.346,1139 34.209,1140 16.763,1141 4697,1142 7603,1143 16.989,1144 24.279,1145 36.24,1146 35.826,1147 35.705,1148 35.812,1149 35.832,1150 51.174,1151 1.36,1152 100.312,1153 35.376,1154 5.231,1155 5.079,1156 6.108,1157 5.037,1158 5.027,1159 7.392,1160 1.36,1161 16.128,1162 5.001,1164 1.51,1165 1.493,1166 1.488,1167 1.492,1168 1.493,1169 2.132,1170 0.057,1171 4.18,1172 1.474,1173 4.119,1174 4.154,1175 4.083,1176 4.017,1177 5.23,1178 4.028,1179 3.94,1180 3.972,1181 3.881,1182 3.865,1183 5.067,1184 3.861,1185 3.77,1186 3.796,1187 3.724,1188 3.601,1189 4.742,1190 3.628,1191 3.306,1192 3.37,1193 3.224,1194 3.15,1195 4.33,1196 3.159,1197 3.046,1198 3.102,1199 2.915,1200 2.911,1201 3.832,1202 2.904,1203 2.911,1204 2.978,1205 2.791,1206 2.753,1207 3.765,1208 2.756,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.674,1214 2.715,1215 2.483,1216 2.567,1217 2.325,1218 2.284,1219 3.466,1220 2.279,1221 0.186,1222 0.128,1223 0.263,1224 0.167,1225 0.126,1226 4.47,1227 0.183,1228 3.079,1229 0.028,1230 6.306,1231 0.402,1232 4.018,1233 0.125,1234 3.027,1235 4.392,1236 0.68,1237 9.639,1238 3.001,1239 1.953,1240 1.934,1241 2.051,1242 2.026,1243 1.197,1244 2.031,1245 1.914,1246 1.886,1247 2.021,1248 1.995,1249 1.155,1250 2.009,1251 1.491,1252 1.455,1253 1.646,1254 1.655,1255 0.8,1256 1.631,1257 1.312,1258 1.231,1259 1.465,1260 1.604,1261 0.48,1262 1.588,1263 1.208,1264 1.187,1265 1.342,1266 1.463,1267 0.405,1268 1.401,1269 0.886,1270 0.821,1271 1.181,1272 1.082,1273 0.218,1274 1.107,1275 0.862,1276 0.799,1277 1.105,1278 1.062,1279 0.154,1280 1.088,1281 0.775,1282 0.718,1283 0.997,1284 1.053,1286 1.054,1287 3.892,1289 5.198,1290 3.045,1291 6.691,1292 5.283,1293 8.265,1294 7.273,1295 9.882,1303 0.776,1314 23.413,1315 50.626,1316 109.225,1317 135.69,1318 160.219,1319 162.974,1320 162.974,1321 20.996,1322 7.119,1323 54.71,1324 54.71,1325 22,1326 12.231,1327 4.459,1328 3.524,1329 28.192,1330 71,1331 65,1332 0.195,1333 142.299,1334 227.65,1335 338.97,1336 11728,1338 14.071,1339 0.67,1340 0.537,1341 14.071,1342 11.283,1343 10.382,1344 0.433,1345 0.284,1346 6.743,1347 10.052,1348 6.607,1349 5.486,1350 10.382,1351 6.814,1352 9.203,1353 0.279,1354 0.152,1355 9.203,1356 5.017,1357 7.97,1358 0.181,1359 0.08,1360 7.97,1361 3.512,1362 6.817,1363 0.118,1364 0.042,1365 6.817,1366 2.432,1367 5.099,1368 0.076,1369 0.023,1370 5.099,1371 1.544,1372 0.307,1373 64.609,1374 0.243,1375 21.045,1376 0.53,1377 114,1378 313.359,1379 122.372,1380 310.142,1381 437.82,1382 292,1383 134,1384 343.122,1385 143.565,1386 346.329,1387 498.34,1388 326,1389 5.1}
{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 5,237 1,241 1,246 4,250 1,255 1,258 2,264 1,269 1,276 298,277 11.886,278 11.886,279 11.886,280 11.886,281 11.886,282 10.219,283 3.638,284 7.151,285 11.989,286 9.374,287 9.374,288 9.374,289 9.374,290 9.374,291 6.843,292 1.471,293 3.329,294 9.53,295 3.366,296 1.309,297 0.558,298 0.292,299 0.292,300 0.292,301 3.588,305 1,306 1,307 289,308 2.121,311 77.301,312 38.527,315 61.84,319 1.308,320 9.047,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 36.5,332 132,333 4.469,334 3.041,335 6.305,336 4.015,337 3.024,338 4.392,340 9.634,341 2.998,342 4.179,343 2.819,344 6.029,345 3.74,346 2.757,347 3.842,349 8.706,350 2.707,351 3.615,352 2.413,353 5.293,354 3.253,355 2.273,356 3.007,358 6.749,359 2.225,360 3.034,361 1.536,362 4.414,363 2.518,364 1.534,365 2.301,367 4.292,368 1.508,369 2.862,370 1.523,371 4.215,372 2.463,373 1.471,374 2.002,376 3.808,377 1.459,378 2.539,379 1.102,380 3.437,381 2.073,382 1.099,383 1.557,385 2.387,386 1.068,387 2.213,388 0.923,389 3.286,390 1.902,391 0.919,392 1.115,394 1.812,395 0.902,396 2.055,397 0.688,398 3.084,399 1.674,400 0.682,401 0.96,403 1.503,404 0.676,405 1.883,406 0.394,407 3,408 1.364,409 0.392,410 0.583,412 0.969,413 0.38,414 0.812,415 -0.261,416 2.498,417 0.562,418 -0.436,419 -0.482,421 -0.732,422 -0.435,423 0.644,424 -0.677,425 2.12,426 0.309,427 -0.683,428 -0.936,430 -1.79,431 -0.677,432 0.564,433 -0.916,434 1.763,435 0.065,436 -0.916,437 -1.354,439 -2.511,440 -0.897,441 0.049,442 -1.294,443 1.557,444 -0.351,445 -1.337,446 -1.598,448 -3.244,449 -1.31,450 -0.092,451 -1.415,452 1.476,453 -0.475,454 -1.458,455 -1.928,457 -4.145,458 -1.438,459 -0.105,460 -1.605,461 1.251,462 -0.636,463 -1.605,464 -2.408,466 -4.688,467 -1.555,468 8.033,469 0.473,470 0.307,471 0.018,472 22.75,473 1.338,474 12,475 0.706,476 10.75,477 0.632,478 10.833,479 0.637,480 17.767,481 0.592,482 12.817,483 0.754,484 4.401,485 0.259,486 3.964,487 0.233,488 0.062,490 0.311,496 0.597,497 0.984,498 0.741,499 0.959,500 0.635,501 0.889,502 0.816,503 1.216,504 0.786,505 1.071,506 0.735,507 0.946,508 0.941,509 1.04,510 0.934,511 1.031,512 0.879,513 0.988,514 1.464,515 0.972,516 1.047,517 0.931,518 1.299,519 0.934,520 1.575,521 0.965,522 1.115,523 0.967,524 1.451,525 0.975,526 1.394,527 1.022,528 1.113,529 0.995,530 1.202,531 1.038,532 0.721,533 0.955,534 1.096,535 1.07,536 0.892,537 1.128,538 0.315,539 1.146,540 1.076,541 1.312,542 0.701,543 1.312,544 3,545 0.02,546 1.778,547 0.729,548 0.743,549 0.372,550 0.171,551 0.106,552 0.064,553 0.04,554 2507,555 6180,556 2.163,557 43.3,558 5,559 4,561 1,562 1,563 2,567 1.566,568 2.082,569 2.977,570 -0.256,572 1,573 1,574 1,577 46.24,578 1.541,579 3.598,580 4.348,581 4.615,582 4.615,583 4.615,584 2.498,585 3.852,586 4.056,587 3.064,588 416.717,589 6.845,590 3696.03,592 1,594 1,595 147.207,596 1.166,597 4.043,598 0.158,599 0.01,600 0.068,601 0.033,602 0.039,603 0.025,604 0.013,605 0.011,606 0.011,607 0.01,608 0.378,609 0.83,610 1,611 0.962,612 70.221,613 0.276,614 0.159,615 0.076,616 0.046,617 0.182,618 0.03,619 -0.006,620 -0.168,621 0.085,622 -0.069,623 0.081,624 0.009,625 -0.058,626 -0.073,627 0.009,628 -0.044,629 0.015,630 -0.01,631 -0.197,632 -0.032,633 -0.043,634 0.024,635 -0.146,636 0.016,637 -0.236,638 -0.013,639 -0.113,640 -0.02,641 -0.233,642 -0.04,643 0.115,644 -0.071,645 -0.117,646 -0.038,647 0.03,648 -0.115,649 0.08,650 0.054,651 -0.148,652 -0.128,653 0.018,654 -0.176,655 0.068,656 -0.27,657 -0.142,658 -0.287,659 -0.081,660 -0.256,661 0.85,662 1.848,663 0.824,664 10.858,665 1.002,666 1.126,667 2.106,668 4.437,669 0.676,670 2.996,671 3.296,672 3.584,673 3.85,674 3.951,675 4.06,676 4.159,677 4.22,678 4.143,679 4.094,680 4.591,681 0.647,682 227.29,683 2.996,684 4.511,685 5.361,686 6.232,687 7.101,688 7.978,689 8.853,690 9.733,691 10.61,692 11.49,693 10,701 1,703 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 3,797 0.667,798 1,807 1,815 2,816 1,819 1,843 2,847 1,851 17,858 2,874 3.3,879 1,881 8.167,882 5.733,883 3.806,884 1.999,886 2.916,887 1.455,888 1.014,889 2.595,890 9.326,891 3.314,892 3.961,893 4.623,894 5.263,895 5.68,896 6.107,897 6.568,898 7.002,899 7.164,900 7.432,901 1,902 22,903 6.233,905 2.605,906 7.578,907 12.07,909 9.844,911 2.078,912 35.333,913 0.003,916 141.253,917 76.955,918 52.923,920 9.734,923 76.955,924 150.987,925 52.923,926 8.825,927 5.069,928 37.905,929 48.031,930 43.96,931 7.593,932 129.482,934 141.253,935 129.878,936 9.734,939 141.253,940 9.734,943 42.361,944 51.256,945 36.26,947 141.253,948 62.657,949 76.955,952 141.253,953 21.177,954 55.778,955 16.663,956 45.994,957 141.253,958 62.657,959 76.955,961 0.568,962 0.336,963 0.189,964 0.091,965 14,966 5,967 0.094,968 3,969 1,970 1.143,971 3.063,972 119.585,973 0.143,974 14,975 69.487,981 10.392,982 4.245,983 1.929,984 2.109,985 45.994,986 9.873,987 8.051,988 2.928,989 5.348,991 2.861,993 16.663,994 280.865,995 26.5,1007 30.051,1008 33.78,1009 0.314,1010 0.733,1011 0.886,1012 0.941,1013 0.941,1014 0.941,1015 4.508,1016 0.682,1017 5.323,1018 1.812,1019 3.97,1020 4.644,1022 6.111,1023 3.94,1024 5.719,1025 0.392,1026 6.86,1027 1.503,1028 3.434,1029 4.407,1031 6.934,1032 3.395,1033 7.025,1034 -0.436,1035 8.496,1036 0.969,1037 5.533,1038 6.93,1040 10.02,1041 5.477,1042 8.377,1043 -0.683,1044 10.191,1045 -0.732,1046 5.889,1047 7.617,1049 11.684,1050 5.822,1051 9.762,1052 -0.916,1053 11.923,1054 -1.79,1055 7.386,1056 9.512,1058 14.233,1059 7.307,1060 11.172,1061 -1.337,1062 13.681,1063 -2.511,1064 8.137,1065 10.612,1067 16.224,1068 8.048,1069 12.598,1070 -1.458,1071 15.455,1072 -3.244,1073 9.391,1074 12.256,1076 18.586,1077 9.293,1078 3.024,1079 -1.605,1080 17.241,1081 -4.145,1082 10.322,1083 13.549,1085 20.717,1086 10.214,1087 2.757,1088 9.634,1089 19.036,1090 -4.688,1091 11.476,1092 15.087,1094 23.008,1095 11.359,1096 2.273,1097 8.706,1098 20.838,1099 4.392,1100 12.491,1101 16.471,1103 25.201,1104 12.365,1105 1.534,1106 6.749,1107 22.644,1108 3.842,1109 13.604,1110 17.966,1112 27.465,1113 13.47,1114 1.471,1115 4.292,1116 24.455,1117 3.007,1118 14.658,1119 19.393,1121 29.687,1122 14.515,1123 1.099,1124 3.808,1125 26.268,1126 2.301,1127 15.756,1128 20.871,1130 31.942,1131 15.605,1132 0.919,1133 2.387,1134 28.084,1135 2.002,1136 16.829,1137 22.32,1139 34.179,1140 16.67,1141 2440,1142 3951,1143 13.118,1144 20.279,1145 28.596,1146 28.234,1147 28.864,1148 28.289,1149 28.304,1150 39.518,1152 79.721,1153 27.846,1154 5.181,1155 5.041,1156 6.075,1157 5.034,1158 5.024,1159 7.392,1161 16.12,1162 4.998,1163 5.16,1164 1.505,1165 1.486,1166 1.519,1167 1.489,1168 1.49,1169 2.08,1171 4.196,1172 1.466,1173 4.116,1174 4.152,1175 4.081,1176 4.013,1177 5.228,1178 4.024,1179 3.86,1180 3.895,1181 3.816,1182 3.688,1183 5.067,1184 3.709,1185 3.51,1186 3.578,1187 3.348,1188 3.342,1189 4.332,1190 3.336,1191 3.255,1192 3.325,1193 3.146,1194 3.071,1195 4.102,1196 3.079,1197 2.941,1198 3.007,1199 2.814,1200 2.809,1201 3.767,1202 2.803,1203 2.779,1204 2.882,1205 2.527,1206 2.521,1207 3.595,1208 2.505,1209 2.285,1210 2.402,1211 2.191,1212 2.063,1213 3.37,1214 2.066,1215 2.265,1216 2.36,1217 2.077,1218 1.956,1219 3.116,1220 1.962,1221 0.235,1222 0.16,1223 0.332,1224 0.211,1225 0.159,1226 4.469,1227 0.231,1228 3.041,1230 6.305,1231 0.507,1232 4.015,1233 0.158,1234 3.024,1235 4.392,1237 9.634,1238 2.998,1239 1.95,1240 1.931,1241 2.029,1242 2.024,1243 1.213,1244 2.026,1245 1.692,1246 1.635,1247 1.937,1248 1.854,1249 1.158,1250 1.885,1251 1.353,1252 1.311,1253 1.55,1254 1.652,1255 0.683,1256 1.602,1257 1.304,1258 1.228,1259 1.464,1260 1.481,1261 0.436,1262 1.501,1263 1.119,1264 1.07,1265 1.31,1266 1.442,1267 0.404,1268 1.376,1269 0.815,1270 0.743,1271 1.095,1272 1.076,1273 0.146,1274 1.085,1275 0.624,1276 0.524,1277 0.972,1278 0.961,1280 0.985,1281 0.548,1282 0.479,1283 0.815,1284 0.814,1286 0.842,1287 3.664,1289 4.963,1290 3.045,1291 6.45,1292 5.283,1293 8.027,1294 7.273,1295 9.653,1297 2.131,1303 2.032,1314 19.413,1315 46.24,1316 107.946,1317 130.452,1318 138.452,1319 138.452,1320 138.452,1321 17.101,1322 6.41,1323 54.71,1324 54.71,1325 16,1326 12.027,1327 4,1328 3.087,1329 23.838,1330 46,1331 52,1332 0.262,1333 120.105,1334 189.63,1335 284.817,1336 4334,1338 11.665,1339 0.686,1340 0.565,1341 11.665,1342 9.604,1343 8.365,1344 0.44,1345 0.303,1346 5.686,1347 8.034,1348 5.548,1349 4.656,1350 8.365,1351 5.757,1352 7.252,1353 0.279,1354 0.158,1355 7.252,1356 4.105,1357 6.276,1358 0.179,1359 0.08,1360 6.276,1361 2.79,1362 5.379,1363 0.117,1364 0.042,1365 5.379,1366 1.918,1367 3.785,1368 0.074,1369 0.022,1370 3.785,1371 1.132,1372 0.401,1373 52.504,1374 0.276,1375 17.133,1376 0.741,1377 90,1378 257.359,1379 98.372,1380 251.066,1381 354.17,1382 236,1383 106,1384 281.122,1385 115.565,1386 280.503,1387 404.56,1388 264,1389 5.1}
{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 1,237 1,238 3,241 1,246 2,258 5,263 1,267 1,272 6,276 537,277 14.74,278 14.74,279 14.74,280 14.74,281 14.74,282 13.072,283 10.227,284 8.859,285 14.95,286 11.909,287 11.909,288 11.909,289 11.909,290 11.909,291 9.387,292 13.229,293 4.271,294 12.242,295 3.771,296 1.779,297 0.962,298 0.615,299 0.615,300 0.615,301 3.808,304 1,305 1,306 1,307 446,308 2,311 99.611,312 118.01,315 81.465,319 1.601,320 10.691,321 1,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 45,332 197,333 4.47,334 3.086,335 6.306,336 4.017,337 3.027,338 4.392,339 0.916,340 9.639,341 2.999,342 4.186,343 2.948,344 6.033,345 3.759,346 2.784,347 3.845,348 0.172,349 8.731,350 2.716,351 3.693,352 2.688,353 5.542,354 3.48,355 2.533,356 3.03,358 7.53,359 2.396,360 3.376,361 2.275,362 5.048,363 3.102,364 2.134,365 2.458,367 6.089,368 2.062,369 3.034,370 1.554,371 4.407,372 2.518,373 1.534,374 2.301,376 4.277,377 1.508,378 2.815,379 1.534,380 4.194,381 2.48,382 1.495,383 1.932,385 3.745,386 1.471,387 2.537,388 1.362,389 3.578,390 2.265,391 1.291,392 1.551,394 2.979,395 1.254,396 2.399,397 1.077,398 3.432,399 1.998,400 1.025,401 1.389,403 2.359,404 0.995,405 2.181,406 1.046,407 3.274,408 1.984,409 1,410 1.03,412 2.136,413 0.983,414 2,415 0.709,416 3.247,417 1.686,418 0.698,419 1,421 1.691,422 0.689,423 1.888,424 0.4,425 3.031,426 1.367,427 0.394,428 0.587,430 0.981,431 0.383,432 1.009,433 0.117,434 2.761,435 0.853,436 -0.109,437 -0.119,439 -0.288,440 -0.104,441 0.777,442 -0.625,443 2.466,444 0.342,445 -0.651,446 -0.853,448 -1.743,449 -0.646,450 0.573,451 -0.774,452 2.112,453 0.089,454 -0.897,455 -1,457 -2.251,458 -0.884,459 0.203,460 -0.784,461 1.611,462 0.038,463 -0.946,464 -1.044,466 -2.347,467 -0.93,468 9.933,469 0.473,470 0.376,471 0.018,472 26,473 1.238,474 12,475 0.571,476 14,477 0.667,478 15.749,479 0.75,480 22.467,481 0.576,482 15.426,483 0.735,484 4.958,485 0.236,486 5.424,487 0.258,490 0.292,496 0.659,497 1.202,498 0.776,499 1.062,500 0.554,501 0.957,502 1.011,503 1.205,504 0.925,505 1.048,506 0.729,507 0.976,508 0.884,509 1.041,510 1.022,511 1.1,512 0.745,513 1.081,514 1.05,515 0.905,516 0.917,517 0.899,518 0.942,519 0.899,520 1.072,521 0.956,522 0.844,523 0.911,524 1.16,525 0.855,526 1.683,527 1.061,528 1.099,529 0.985,530 1.593,531 0.985,532 1.721,533 0.853,534 1.18,535 0.859,536 1.55,537 0.945,538 0.88,539 1.172,540 1.158,541 1.239,542 0.997,543 1.249,544 3.5,545 0.04,546 1.778,547 0.917,548 0.769,549 0.348,550 0.321,551 0.122,552 0.056,553 0.078,554 5126,555 11101,556 2.246,557 46.2,558 2,559 10,561 1,562 1,564 4,567 1.626,568 2.211,569 3.236,570 -0.291,571 1,572 1,574 1,577 59.072,578 1.515,579 3.506,580 4.324,581 4.67,582 4.67,583 4.67,584 2.701,585 4.107,586 4.365,587 3.374,588 708.442,589 7.449,590 7553.57,591 1,592 1,593 1,594 1,595 206.131,596 0.863,597 4.366,598 0.146,599 0.004,600 0.054,601 0.033,602 0.032,603 0.016,604 0.016,605 0.008,606 0.004,607 0.006,608 0.319,609 0.83,610 1,612 95.579,613 0.245,614 0.002,615 0.094,616 -0.007,617 0.287,618 0.015,619 -0.099,620 -0.088,621 -0.009,622 -0.044,623 0.084,624 -0.013,625 -0.031,626 -0.054,627 -0.072,628 -0.103,629 0.087,630 -0.094,631 0.015,632 -0.014,633 0.091,634 0.071,635 0.078,636 0.087,637 -0.02,638 -0.03,639 0.155,640 0.059,641 -0.014,642 0.125,643 0.003,644 -0.087,645 -0.068,646 -0.044,647 -0.082,648 -0.068,649 -0.197,650 0.144,651 -0.153,652 0.059,653 -0.212,654 -0.035,655 -0.128,656 -0.181,657 -0.243,658 -0.198,659 -0.254,660 -0.237,661 0.842,662 2.01,663 0.952,664 16.653,665 0.998,666 1.131,667 2.088,668 4.359,669 0.662,670 3.219,671 3.526,672 3.807,673 4.078,674 4.22,675 4.29,676 4.443,677 4.564,678 4.564,679 4.625,680 5.633,681 0.628,682 282.38,683 3.219,684 4.745,685 5.595,686 6.463,687 7.326,688 8.199,689 9.067,690 9.943,691 10.815,692 11.692,693 10.3,696 1,701 1,703 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 4,797 0.75,798 1,807 1,815 2,816 2,819 1,839 1,843 3,851 21,858 6,864 1,874 2.6,879 1,881 9.5,882 6.933,883 4.556,884 2.549,886 2.947,887 1.414,888 1.031,889 3.396,890 10.066,891 3.481,892 4.086,893 4.707,894 5.328,895 5.748,896 6.168,897 6.642,898 7.084,899 7.271,900 7.579,901 1,902 28,903 7.751,905 3.309,906 7.468,907 15.336,909 12.998,911 1.968,912 41.333,913 0.001,916 200.109,917 76.981,918 56.047,920 9.734,923 76.981,924 209.843,925 56.047,927 13.921,928 37.905,929 48.031,930 47.084,931 7.593,932 188.338,934 200.109,935 133.028,936 9.734,939 153.024,940 56.819,943 45.512,944 51.256,945 36.26,947 200.109,948 65.781,949 76.981,952 200.109,953 30.029,954 50.077,955 16.663,956 45.994,957 200.109,958 65.781,959 76.981,961 0.576,962 0.334,963 0.185,964 0.092,965 18,966 6,967 0.071,968 3,969 1,970 1.1,971 3.562,972 163.624,973 0.1,974 20,975 88.239,981 12.9,982 5.528,983 2.68,984 2.119,985 49.118,986 10,987 8.255,988 2.955,989 5.51,991 2.88,993 16.663,994 342.871,995 31.5,1007 38.92,1008 44.109,1009 0.287,1010 0.663,1011 0.818,1012 0.884,1013 0.884,1014 0.884,1015 4.698,1016 1.025,1017 5.549,1018 2.979,1019 4.205,1020 4.771,1021 0.918,1022 6.319,1023 4.154,1024 5.879,1025 1,1026 7.071,1027 2.359,1028 3.611,1029 4.477,1030 0.325,1031 7.081,1032 3.531,1033 7.17,1034 0.698,1035 8.69,1036 2.136,1037 5.753,1038 6.989,1039 0.671,1040 10.176,1041 5.655,1042 8.501,1043 0.394,1044 10.368,1045 1.691,1046 6.043,1047 7.646,1048 0.393,1049 11.794,1050 5.925,1051 9.869,1052 -0.109,1053 12.084,1054 0.981,1055 7.576,1056 9.537,1057 0.533,1058 14.345,1059 7.442,1060 11.263,1061 -0.651,1062 13.827,1063 -0.288,1064 8.274,1065 10.625,1066 0.384,1067 16.308,1068 8.128,1069 12.676,1070 -0.897,1071 15.588,1072 -1.743,1073 9.55,1074 12.267,1075 0.438,1076 18.667,1077 9.391,1078 3.027,1079 -0.946,1080 17.363,1081 -2.251,1082 10.445,1083 13.555,1084 0.351,1085 20.781,1086 10.278,1087 2.784,1088 9.639,1089 19.147,1090 -2.347,1091 11.609,1092 15.092,1093 0.366,1094 23.067,1095 11.43,1096 2.533,1097 8.731,1098 20.939,1099 4.392,1100 12.6,1101 16.475,1102 0.312,1103 25.25,1104 12.415,1105 2.134,1106 7.53,1107 22.736,1108 3.845,1109 13.716,1110 17.969,1111 0.309,1112 27.509,1113 13.522,1114 1.534,1115 6.089,1116 24.538,1117 3.03,1118 14.755,1119 19.396,1120 0.273,1121 29.725,1122 14.555,1123 1.495,1124 4.277,1125 26.344,1126 2.458,1127 15.852,1128 20.873,1129 0.262,1130 31.976,1131 15.644,1132 1.291,1133 3.745,1134 28.154,1135 2.301,1136 16.915,1137 22.322,1138 0.236,1139 34.209,1140 16.702,1141 4697,1142 7082,1143 16.989,1144 25.807,1145 36.284,1146 35.714,1147 35.705,1148 35.862,1149 35.832,1150 47.029,1151 2.178,1152 100.312,1153 34.908,1154 5.47,1155 5.086,1156 6.108,1157 5.053,1158 5.027,1159 7.392,1160 1.605,1161 16.128,1162 4.999,1164 1.512,1165 1.488,1166 1.488,1167 1.494,1168 1.493,1169 1.96,1170 0.091,1171 4.18,1172 1.454,1173 4.118,1174 4.154,1175 4.082,1176 4.013,1177 5.229,1178 4.024,1179 3.899,1180 3.955,1181 3.834,1182 3.727,1183 5.067,1184 3.739,1185 3.759,1186 3.801,1187 3.652,1188 3.586,1189 4.339,1190 3.598,1191 3.319,1192 3.388,1193 3.229,1194 3.149,1195 4.303,1196 3.16,1197 3.113,1198 3.206,1199 2.959,1200 2.941,1201 3.778,1202 2.91,1203 3.111,1204 3.193,1205 2.866,1206 2.904,1207 3.757,1208 2.904,1209 2.924,1210 2.992,1211 2.8,1212 2.756,1213 3.474,1214 2.761,1215 2.646,1216 2.749,1217 2.414,1218 2.399,1219 3.439,1220 2.384,1221 0.186,1222 0.129,1223 0.263,1224 0.167,1225 0.126,1226 4.47,1227 0.183,1228 3.086,1229 0.038,1230 6.306,1231 0.402,1232 4.017,1233 0.125,1234 3.027,1235 4.392,1236 0.916,1237 9.639,1238 2.999,1239 1.95,1240 1.931,1241 2.057,1242 2.029,1243 1.408,1244 2.039,1245 1.83,1246 1.766,1247 2.025,1248 2.014,1249 1.175,1250 2.021,1251 1.509,1252 1.467,1253 1.683,1254 1.666,1255 0.93,1256 1.671,1257 1.312,1258 1.231,1259 1.513,1260 1.639,1261 0.825,1262 1.595,1263 1.218,1264 1.191,1265 1.466,1266 1.465,1267 0.569,1268 1.429,1269 1.153,1270 1.064,1271 1.375,1272 1.376,1273 0.411,1274 1.413,1275 0.934,1276 0.847,1277 1.216,1278 1.234,1279 0.393,1280 1.232,1281 0.804,1282 0.734,1283 1.075,1284 1.074,1285 0.112,1286 1.084,1287 3.892,1289 5.198,1290 3.045,1291 6.691,1292 5.283,1293 8.265,1294 7.273,1295 9.882,1303 7.165,1309 2.449,1314 24.488,1315 59.072,1316 136.747,1317 168.621,1318 182.131,1319 182.131,1320 182.131,1321 22.128,1322 7.119,1323 57.95,1324 57.95,1325 22,1326 12.231,1327 4,1328 3.087,1329 28.192,1330 71,1331 65,1332 0.195,1333 148.283,1334 240.17,1335 353.571,1336 11728,1338 14.071,1339 0.67,1340 0.566,1341 14.071,1342 11.879,1343 10.382,1344 0.433,1345 0.312,1346 7.395,1347 9.949,1348 7.273,1349 6.012,1350 10.382,1351 7.498,1352 9.203,1353 0.279,1354 0.172,1355 9.203,1356 5.691,1357 7.97,1358 0.181,1359 0.094,1360 7.97,1361 4.118,1362 6.817,1363 0.118,1364 0.051,1365 6.817,1366 2.965,1367 5.099,1368 0.076,1369 0.03,1370 5.099,1371 1.994,1372 0.307,1373 65.222,1374 0.243,1375 21.045,1376 0.53,1377 114,1378 301.004,1379 124.454,1380 292.444,1381 412.31,1382 276,1383 134,1384 323.235,1385 146.257,1386 323.303,1387 468.28,1388 304,1389 5.1}
{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 2,237 1,241 1,246 2,249 1,253 1,264 1,269 1,276 316,277 12.671,278 12.671,279 12.671,280 12.671,281 12.671,282 10.46,284 7.46,285 12.957,286 10.414,287 10.414,288 10.414,289 10.414,290 10.414,291 7.102,293 3.573,294 10.897,295 3.268,296 1.407,297 0.444,301 3.667,305 1,306 1,307 299,308 1.732,311 63.585,312 76.941,315 117.108,319 1.136,320 8.541,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 38.5,332 130,333 4.539,334 3.091,335 6.402,336 4.049,337 3.091,338 4.475,340 9.982,341 2.985,342 4.382,343 2.882,344 6.176,345 3.836,346 2.882,347 4.323,349 9.19,350 2.733,351 3.839,352 2.438,353 5.833,354 3.4,355 2.438,356 3.342,358 7.976,359 2.334,360 3.056,361 1.556,362 4.433,363 2.527,364 1.556,365 2.334,367 4.318,368 1.512,369 3.034,370 1.534,371 4.414,372 2.515,373 1.534,374 2.3,376 4.312,377 1.499,378 3.032,379 1.532,380 4.254,381 2.444,382 1.532,383 2.298,385 3.896,386 1.397,387 2.741,388 1.253,389 3.594,390 2.216,391 1.253,392 1.858,394 2.868,395 1.203,396 2.5,397 1,398 3.431,399 1.966,400 1,401 1.5,403 2.336,404 0.963,405 1.896,406 0.402,407 3.034,408 1.372,409 0.402,410 0.599,412 0.995,413 0.389,414 1.847,415 0.347,416 3,417 1.278,418 0.347,419 0.521,421 0.86,422 0.322,423 0.847,424 -0.589,425 2.598,426 0.39,427 -0.589,428 -0.815,430 -1.591,431 -0.574,432 0.667,433 -0.833,434 2.169,435 0.129,436 -0.833,437 -1.25,439 -2.096,440 -0.799,441 0.561,442 -0.93,443 2,444 0.044,445 -0.93,446 -1.383,448 -2.512,449 -0.905,450 0.5,451 -1,452 1.652,453 -0.068,454 -1,455 -1.5,457 -2.625,458 -0.934,459 0.054,460 -1.379,461 1.586,462 -0.43,463 -1.379,464 -1.911,466 -4.031,467 -1.298,468 8.5,469 0.472,470 0.359,471 0.02,472 28.75,473 1.597,474 16,475 0.889,476 12.75,477 0.708,478 8.913,479 0.495,480 17.3,481 0.641,482 16.522,483 0.918,484 5.727,485 0.318,486 3.172,487 0.176,490 0.341,496 0.849,497 1.2,498 0.623,499 0.907,500 0.767,501 0.764,502 0.936,503 0.971,504 0.816,505 0.863,506 0.869,507 0.828,508 0.962,509 1.203,510 1.013,511 1.168,512 0.847,513 1.114,514 1.255,515 0.94,516 1.166,517 0.968,518 1.359,519 1.033,520 0.975,521 1.012,522 0.976,523 1.001,524 0.89,525 0.991,526 0.937,527 0.96,528 0.952,529 0.965,530 0.906,531 0.962,532 0.973,533 0.915,534 1.176,535 1.097,536 1.227,537 1.156,538 0.579,539 0.764,540 0.954,541 1.009,542 0.665,543 1.04,544 3,546 2,547 0.924,548 0.876,549 0.292,550 0.18,551 0.149,552 0.054,554 3145,555 8503,556 2.289,557 33.3,559 4,560 2,561 2,562 1,567 1.585,568 2.25,569 2.924,570 -0.225,574 1,577 40.137,578 1.487,579 3.347,580 4.31,581 4.755,582 4.755,583 4.755,584 2.281,585 3.308,586 4.147,587 3.002,588 459.265,589 7.024,590 4207.15,591 1,592 1,594 1,595 128.382,596 0.918,597 4.142,598 0.143,600 0.067,601 0.036,602 0.044,603 0.018,604 0.011,605 0.012,606 0.007,608 0.337,609 0.83,610 1,612 75.274,613 0.03,614 -0.135,615 0.067,616 -0.053,617 -0.046,618 -0.001,619 0.042,620 0.099,621 -0.063,622 -0.003,623 -0.042,624 -0.041,625 -0.125,626 -0.25,627 -0.128,628 -0.213,629 0.019,630 -0.18,631 -0.274,632 0.004,633 -0.152,634 0.015,635 -0.306,636 -0.033,637 -0.083,638 -0.11,639 0.065,640 0.018,641 0.048,642 0.057,643 0.088,644 0.034,645 -0.016,646 -0.033,647 0.105,648 -0.041,649 0.059,650 0.044,651 -0.165,652 -0.133,653 -0.237,654 -0.177,655 0.379,656 0.11,657 0.197,658 0.048,659 0.415,660 0.081,661 0.959,662 1.495,663 1,664 10.617,665 1.01,666 1.123,667 1.567,668 2.457,669 0.724,670 3.091,671 3.434,672 3.761,673 4.06,674 4.248,675 4.344,676 4.489,677 4.644,678 4.615,679 4.673,680 4.498,681 0.71,682 235.27,683 3.091,684 4.635,685 5.509,686 6.399,687 7.287,688 8.18,689 9.073,690 9.967,691 10.861,692 11.757,693 18.5,701 2,703 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 5,797 0.5,807 1,810 1,815 2,816 2,819 2,843 2,851 18,881 8,882 4.967,883 3.833,884 1.538,886 4.042,887 1.579,888 1.111,889 1.915,890 11.018,891 3.466,892 4.182,893 4.896,894 5.577,895 6.113,896 6.54,897 7.049,898 7.575,899 7.849,900 8.313,901 0.8,902 26,903 6.575,905 2.851,906 7.602,907 12.601,909 10.547,911 2.102,912 37.833,913 0.001,916 94.169,917 86.041,918 68.184,923 86.041,924 94.169,925 68.184,928 56,929 73.776,930 45.846,931 25.686,932 47.084,934 94.169,935 154.224,939 94.169,943 40.088,944 63.903,945 50.234,947 94.169,948 68.184,949 86.041,952 94.169,953 11.946,954 75.381,955 16.663,956 50.234,957 94.169,958 68.184,959 86.041,961 0.585,962 0.35,963 0.197,964 0.1,965 18,966 6,967 0.033,968 1,969 2,970 1.222,971 3.202,972 139.116,973 0.222,974 18,975 75.059,981 9.656,982 3.57,983 1.499,984 2.818,985 50.234,986 15.465,987 12.724,988 2.937,991 1.978,993 16.663,994 248.393,995 31,1007 27.276,1008 30.322,1009 0.313,1010 0.704,1011 0.907,1012 1,1013 1,1014 1,1015 4.673,1016 1,1017 5.485,1018 2.868,1019 4.111,1020 4.868,1022 6.304,1023 4.025,1024 5.912,1025 0.402,1026 7.04,1027 2.336,1028 3.611,1029 4.691,1031 7.168,1032 3.483,1033 7.237,1034 0.347,1035 8.694,1036 0.995,1037 5.707,1038 7.227,1040 10.28,1041 5.537,1042 8.605,1043 -0.589,1044 10.407,1045 0.86,1046 6.089,1047 7.956,1049 11.984,1050 5.874,1051 10.006,1052 -0.833,1053 12.157,1054 -1.591,1055 7.6,1056 9.881,1058 14.562,1059 7.349,1060 11.431,1061 -0.93,1062 13.932,1063 -2.096,1064 8.379,1065 11.022,1067 16.592,1068 8.084,1069 12.875,1070 -1,1071 15.724,1072 -2.512,1073 9.651,1074 12.695,1076 18.981,1077 9.321,1078 3.091,1079 -1.379,1080 17.527,1081 -2.625,1082 10.61,1083 14.025,1085 21.147,1086 10.237,1087 2.882,1088 9.982,1089 19.338,1090 -4.031,1091 11.782,1092 15.59,1094 23.465,1095 11.376,1096 2.438,1097 9.19,1098 21.155,1099 4.475,1100 12.822,1101 17.005,1103 25.691,1104 12.375,1105 1.556,1106 7.976,1107 22.977,1108 4.323,1109 13.954,1110 18.524,1112 27.983,1113 13.473,1114 1.534,1115 4.318,1116 24.802,1117 3.342,1118 15.031,1119 19.978,1121 30.237,1122 14.512,1123 1.532,1124 4.312,1125 26.629,1126 2.334,1127 16.149,1128 21.477,1130 32.521,1131 15.595,1132 1.253,1133 3.896,1134 28.459,1135 2.3,1136 17.244,1137 22.949,1139 34.79,1140 16.654,1141 2870,1142 4824,1143 14.909,1144 19.551,1145 32.21,1146 32.07,1147 32,1148 32.06,1149 32.07,1150 47.104,1152 93.466,1153 30.674,1154 5.204,1155 5.091,1156 6.084,1157 5.118,1158 5.091,1159 7.475,1161 16.669,1162 4.985,1164 1.534,1165 1.527,1166 1.524,1167 1.527,1168 1.527,1169 2.243,1171 4.451,1172 1.461,1173 4.153,1174 4.2,1175 4.123,1176 4.031,1177 5.16,1178 4.046,1179 4.009,1180 4.065,1181 3.975,1182 3.829,1183 5.06,1184 3.861,1185 3.446,1186 3.5,1187 3.382,1188 3.309,1189 4.464,1190 3.32,1191 3.172,1192 3.238,1193 3.074,1194 3.014,1195 4.191,1196 3.02,1197 2.923,1198 2.991,1199 2.804,1200 2.777,1201 3.95,1202 2.779,1203 2.807,1204 2.893,1205 2.727,1206 2.559,1207 3.754,1208 2.591,1209 2.373,1210 2.457,1211 2.28,1212 2.165,1213 3.243,1214 2.182,1215 2.265,1216 2.38,1217 2.045,1218 2.031,1219 3.122,1220 2.02,1221 0.216,1222 0.147,1223 0.305,1224 0.193,1225 0.147,1226 4.539,1227 0.213,1228 3.091,1230 6.402,1231 0.475,1232 4.049,1233 0.142,1234 3.091,1235 4.475,1237 9.982,1238 2.985,1239 1.951,1240 1.93,1241 2.028,1242 2.044,1243 1.175,1244 2.031,1245 1.824,1246 1.769,1247 1.919,1248 2.017,1249 0.947,1250 2,1251 1.364,1252 1.319,1253 1.475,1254 1.653,1255 0.537,1256 1.604,1257 1.303,1258 1.228,1259 1.44,1260 1.496,1261 0.406,1262 1.481,1263 0.95,1264 0.885,1265 1.14,1266 1.165,1267 0.208,1268 1.166,1269 0.859,1270 0.788,1271 1.054,1272 1.082,1273 0.024,1274 1.092,1275 0.658,1276 0.579,1277 0.929,1278 0.887,1280 0.91,1281 0.478,1282 0.388,1283 0.827,1284 0.735,1286 0.771,1287 3.761,1289 5.094,1290 3.045,1291 6.621,1292 5.352,1293 8.235,1294 7.413,1295 9.892,1314 19.161,1315 40.137,1316 90.382,1317 116.382,1318 128.382,1319 128.382,1320 128.382,1321 14.483,1322 6.976,1323 58.87,1324 58.87,1325 22,1326 12.282,1327 4.392,1328 3.459,1329 22.733,1330 49,1331 36,1332 0.236,1333 116.45,1334 174.3,1335 275.897,1336 9186,1338 11.949,1339 0.664,1340 0.523,1341 11.949,1342 9.408,1343 8.899,1344 0.424,1345 0.268,1346 5.545,1347 8.538,1348 5.462,1349 4.519,1350 8.899,1351 5.633,1352 8.06,1353 0.269,1354 0.138,1355 8.06,1356 4.125,1357 7.274,1358 0.173,1359 0.071,1360 7.274,1361 2.971,1362 6.331,1363 0.111,1364 0.036,1365 6.331,1366 2.071,1367 4.946,1368 0.072,1369 0.019,1370 4.946,1371 1.327,1372 0.358,1373 55.785,1374 0.259,1375 17.872,1376 0.679,1377 102,1378 284.913,1379 111.464,1380 283.847,1381 406.01,1382 268,1383 123,1384 320.902,1385 133.769,1386 325.686,1387 477.12,1388 307,1389 5.1}
{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 3,238 1,243 1,246 6,253 1,254 1,258 9,272 6,276 537,277 14.74,278 14.74,279 14.74,280 14.74,281 14.74,282 12.321,283 9.487,284 8.859,285 15.118,286 11.909,287 11.909,288 11.909,289 11.909,290 11.909,291 8.36,292 17.5,293 4.271,294 12.549,295 3.485,296 1.795,297 0.932,298 0.326,299 0.242,300 0.242,301 3.808,304 1,305 1,306 1,307 446,308 2,311 99.611,312 118.01,315 81.465,319 1.601,320 8.526,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 44,332 197,333 4.47,334 3.043,335 6.306,336 4.001,337 3.027,338 4.392,339 0.4,340 9.639,341 2.958,342 4.197,343 2.859,344 6.033,345 3.717,346 2.784,347 3.856,349 8.731,350 2.608,351 3.906,352 2.608,353 5.542,354 3.504,355 2.533,356 3.446,358 7.53,359 2.456,360 3.551,361 2.181,362 5.048,363 3.046,364 2.134,365 2.97,367 6.089,368 1.913,369 3.034,370 1.542,371 4.407,372 2.518,373 1.534,374 2.301,376 4.277,377 1.507,378 2.936,379 1.533,380 4.194,381 2.469,382 1.495,383 2.118,385 3.745,386 1.452,387 2.751,388 1.32,389 3.578,390 2.247,391 1.291,392 1.863,394 2.979,395 1.223,396 2.512,397 1.035,398 3.432,399 2,400 1.025,401 1.518,403 2.359,404 1,405 2.5,406 1,407 3.274,408 1.985,409 1,410 1.5,412 2.136,413 0.979,414 2.186,415 0.703,416 3.247,417 1.507,418 0.698,419 1.034,421 1.691,422 0.552,423 1.889,424 0.397,425 3.031,426 1.35,427 0.394,428 0.588,430 0.981,431 0.377,432 1.18,433 0.038,434 2.761,435 0.826,436 -0.109,437 -0.136,439 -0.288,440 -0.101,441 0.79,442 -0.637,443 2.466,444 0.33,445 -0.651,446 -0.897,448 -1.743,449 -0.631,450 0.578,451 -0.83,452 2.112,453 0.077,454 -0.897,455 -1.241,457 -2.251,458 -0.869,459 0.5,460 -0.923,461 1.611,462 0.019,463 -0.946,464 -1.368,466 -2.347,467 -0.91,468 10.433,469 0.497,470 0.376,471 0.018,472 32,473 1.524,474 18.5,475 0.881,476 13.5,477 0.643,478 12.433,479 0.592,480 20.167,481 0.611,482 18.742,483 0.892,484 6.263,485 0.298,486 4.119,487 0.196,490 0.288,496 0.879,497 0.903,498 0.685,499 0.715,500 0.869,501 0.708,502 0.82,503 1.209,504 0.898,505 1.086,506 0.859,507 0.965,508 1.094,509 1.127,510 0.948,511 1.013,512 0.978,513 1.079,514 1.225,515 0.947,516 0.94,517 0.864,518 1.202,519 0.954,520 1.125,521 1.006,522 1.489,523 1.214,524 0.962,525 0.923,526 1.159,527 0.995,528 1.535,529 1.263,530 1.045,531 1.053,532 1.121,533 1.137,534 1.268,535 1.254,536 1.105,537 1.066,538 0.368,539 0.77,540 0.919,541 1.038,542 0.674,543 1.154,544 3.5,545 0.04,546 1.778,547 0.917,548 0.769,549 0.348,550 0.321,551 0.122,552 0.056,553 0.078,554 5126,555 13564,556 2.246,557 36.4,559 8,560 1,561 1,562 2,567 1.626,568 2.211,569 3.236,570 0.331,572 1,577 51.445,578 1.559,579 3.25,580 4.112,581 4.718,582 4.802,583 4.802,584 2.701,585 4.107,586 4.365,587 3.374,588 708.442,589 7.449,590 7553.57,592 1,593 1,594 1,595 166.465,596 0.863,597 4.366,598 0.146,599 0.004,600 0.054,601 0.033,602 0.032,603 0.016,604 0.016,605 0.008,606 0.004,607 0.006,608 0.319,609 0.5,610 1,612 95.579,613 0.039,614 0.116,615 0.054,616 0.103,617 -0.088,618 0.069,619 0.102,620 -0.203,621 -0.037,622 -0.195,623 -0.018,624 -0.14,625 -0.142,626 -0.166,627 -0.106,628 -0.126,629 -0.068,630 -0.156,631 -0.165,632 0.038,633 0.066,634 0.121,635 -0.137,636 0.036,637 -0.107,638 0.018,639 -0.03,640 0.065,641 0.082,642 0.137,643 0.004,644 0.092,645 -0.217,646 -0.098,647 0.009,648 -0.115,649 -0.075,650 -0.13,651 -0.103,652 -0.172,653 -0.132,654 -0.08,655 0.316,656 0.1,657 -0.139,658 -0.154,659 0.09,660 -0.163,661 0.775,662 1.644,663 0.952,664 16.653,665 1.001,666 1.108,667 3.179,668 10.103,669 0.749,670 3.219,671 3.526,672 3.807,673 4.078,674 4.22,675 4.29,676 4.443,677 4.564,678 4.564,679 4.625,680 5.633,681 0.708,682 292.39,683 3.219,684 4.745,685 5.595,686 6.463,687 7.326,688 8.199,689 9.067,690 9.943,691 10.815,692 11.692,693 12.1,701 2,703 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 4,797 0.75,807 1,815 2,816 2,819 1,843 3,845 1,851 21,860 1,868 1,881 9.5,882 5.9,883 4.556,884 1.849,886 3.946,887 1.554,888 1.08,889 3.164,890 11.065,891 3.57,892 4.22,893 4.856,894 5.483,895 5.935,896 6.278,897 6.767,898 7.231,899 7.47,900 7.832,901 1,902 28,903 7.691,905 3.272,906 7.54,907 14.877,909 12.314,911 2.04,912 42.833,913 0.001,916 117.711,917 137.701,918 68.122,922 31.278,923 106.423,924 117.711,925 68.122,928 83.459,929 45.22,930 55.494,931 13.915,932 125.447,934 117.711,935 174.546,937 31.278,939 117.711,943 46.979,944 94.118,945 33.449,946 31.278,947 117.711,948 68.122,949 137.701,952 117.711,953 45.195,954 92.506,955 34.674,956 33.449,957 117.711,958 68.122,959 137.701,961 0.576,962 0.334,963 0.185,964 0.092,965 18,966 6,967 0.083,968 3,969 1,970 1.1,971 3.562,972 163.624,973 0.1,974 20,975 88.239,977 1,981 12.539,982 5.299,983 2.545,984 2.134,985 51.459,986 20.132,987 8.686,988 2.956,990 1.601,991 4.009,993 34.674,994 323.534,995 34.5,1007 33.018,1008 36.574,1009 0.309,1010 0.644,1011 0.815,1012 0.935,1013 0.952,1014 0.952,1015 4.764,1016 1.025,1017 5.549,1018 2.979,1019 4.205,1020 4.905,1021 0.278,1022 6.319,1023 4.11,1024 5.973,1025 1,1026 7.071,1027 2.359,1028 3.611,1029 4.559,1031 7.081,1032 3.484,1033 7.27,1034 0.698,1035 8.69,1036 2.136,1037 5.753,1038 7.157,1039 0.05,1040 10.176,1041 5.58,1042 8.607,1043 0.394,1044 10.368,1045 1.691,1046 6.043,1047 7.729,1049 11.794,1050 5.833,1051 9.976,1052 -0.109,1053 12.084,1054 0.981,1055 7.576,1056 9.687,1057 0.008,1058 14.345,1059 7.338,1060 11.369,1061 -0.651,1062 13.827,1063 -0.288,1064 8.274,1065 10.699,1067 16.308,1068 8.002,1069 12.78,1070 -0.897,1071 15.588,1072 -1.743,1073 9.55,1074 12.381,1075 0.001,1076 18.667,1077 9.256,1078 3.027,1079 -0.946,1080 17.363,1081 -2.251,1082 10.445,1083 13.615,1085 20.781,1086 10.119,1087 2.784,1088 9.639,1089 19.147,1090 -2.347,1091 11.609,1092 15.173,1094 23.067,1095 11.262,1096 2.533,1097 8.731,1098 20.939,1099 4.392,1100 12.6,1101 16.521,1103 25.25,1104 12.225,1105 2.134,1106 7.53,1107 22.736,1108 3.856,1109 13.716,1110 18.023,1112 27.509,1113 13.321,1114 1.534,1115 6.089,1116 24.538,1117 3.446,1118 14.755,1119 19.429,1121 29.725,1122 14.335,1123 1.495,1124 4.277,1125 26.344,1126 2.97,1127 15.852,1128 20.91,1130 31.976,1131 15.412,1132 1.291,1133 3.745,1134 28.154,1135 2.301,1136 16.915,1137 22.346,1139 34.209,1140 16.453,1141 4697,1142 7767,1143 16.989,1144 24.716,1145 36.24,1146 35.718,1147 35.705,1148 35.784,1149 35.832,1150 51.174,1151 0.8,1152 100.312,1153 34.047,1154 5.231,1155 5.043,1156 6.108,1157 5.113,1158 5.027,1159 7.392,1160 0.8,1161 16.128,1162 4.958,1164 1.51,1165 1.488,1166 1.488,1167 1.491,1168 1.493,1169 2.132,1170 0.033,1171 4.18,1172 1.419,1173 4.113,1174 4.15,1175 4.241,1176 4.03,1177 5.104,1178 4.028,1179 3.914,1180 3.951,1181 4.017,1182 3.842,1183 4.878,1184 3.831,1185 3.743,1186 3.77,1187 3.795,1188 3.716,1189 4.712,1190 3.658,1191 3.283,1192 3.345,1193 3.284,1194 3.139,1195 4.298,1196 3.134,1197 2.992,1198 3.062,1199 2.888,1200 2.848,1201 3.875,1202 2.847,1203 2.902,1204 2.97,1205 2.829,1206 2.769,1207 3.744,1208 2.755,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.674,1214 2.715,1215 2.453,1216 2.545,1217 2.48,1218 2.262,1219 3.325,1220 2.262,1221 0.186,1222 0.127,1223 0.263,1224 0.167,1225 0.126,1226 4.47,1227 0.183,1228 3.043,1229 0.017,1230 6.306,1231 0.402,1232 4.001,1233 0.123,1234 3.027,1235 4.392,1236 0.4,1237 9.639,1238 2.958,1239 1.949,1240 1.929,1241 2.026,1242 2.022,1243 1.173,1244 2.025,1245 1.886,1246 1.855,1247 2.008,1248 1.981,1249 1.063,1250 1.993,1251 1.356,1252 1.343,1253 1.469,1254 1.65,1255 0.598,1256 1.601,1257 1.303,1258 1.245,1259 1.405,1260 1.486,1261 0.415,1262 1.462,1263 1.276,1264 1.226,1265 1.28,1266 1.369,1267 0.402,1268 1.425,1269 0.886,1270 0.821,1271 1.181,1272 1.068,1273 0.218,1274 1.107,1275 0.876,1276 0.819,1277 1.091,1278 1.062,1279 0.165,1280 1.099,1281 0.781,1282 0.718,1283 0.941,1284 0.929,1285 0.024,1286 0.979,1287 3.892,1289 5.198,1290 3.045,1291 6.691,1292 5.283,1293 8.265,1294 7.273,1295 9.882,1305 3.315,1314 23.38,1315 51.445,1316 107.246,1317 135.71,1318 155.71,1319 158.465,1320 158.465,1321 19.2,1322 7.119,1323 53.6,1324 81.84,1325 22,1326 12.231,1327 4.459,1328 3.524,1329 28.192,1330 71,1331 65,1332 0.195,1333 146.636,1334 231.07,1335 349.551,1336 11728,1338 14.071,1339 0.67,1340 0.566,1341 14.424,1342 11.893,1343 10.382,1344 0.433,1345 0.311,1346 6.609,1347 9.668,1348 6.397,1349 5.317,1350 10.836,1351 7.475,1352 9.203,1353 0.279,1354 0.168,1355 9.78,1356 5.559,1357 7.97,1358 0.181,1359 0.091,1360 8.61,1361 4.023,1362 6.817,1363 0.118,1364 0.051,1365 7.562,1366 2.951,1367 5.099,1368 0.076,1369 0.028,1370 5.697,1371 1.86,1372 0.307,1373 68.605,1374 0.243,1375 21.045,1376 0.53,1377 114,1378 298.816,1379 144.666,1380 322.257,1381 455.66,1382 304,1383 134,1384 336.57,1385 160.395,1386 358.89,1387 521.68,1388 338,1389 5.1}
{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 3,238 2,243 1,246 5,253 1,254 1,258 8,272 9,276 620,277 15.447,278 15.447,279 15.447,280 15.447,281 15.447,282 13.028,283 9.712,284 9.307,285 15.824,286 12.392,287 12.392,288 12.392,289 12.392,290 12.392,291 8.817,292 15.848,293 4.476,294 13.025,295 3.633,296 1.701,297 0.91,298 0.354,299 0.278,300 0.278,301 3.851,304 1,305 1,306 1,307 505,308 2.236,311 108.456,312 129.276,315 88.391,319 1.727,320 9.321,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 46,332 224,333 4.47,334 3.038,335 6.305,336 3.999,337 3.025,338 4.392,339 0.657,340 9.635,341 2.957,342 4.182,343 2.849,344 6.029,345 3.699,346 2.763,347 3.843,349 8.708,350 2.599,351 3.898,352 2.697,353 5.398,354 3.517,355 2.526,356 3.444,358 7.099,359 2.504,360 3.602,361 2.322,362 5.228,363 3.137,364 2.234,365 3.002,367 6.599,368 1.981,369 3.034,370 1.636,371 4.413,372 2.52,373 1.538,374 2.301,376 4.291,377 1.51,378 2.946,379 1.534,380 4.213,381 2.514,382 1.533,383 2.12,385 3.811,386 1.502,387 2.817,388 1.421,389 3.629,390 2.33,391 1.37,392 1.951,394 3.113,395 1.305,396 2.528,397 1.064,398 3.435,399 2.006,400 1.048,401 1.542,403 2.376,404 1,405 2.5,406 1,407 3.281,408 2,409 1,410 1.5,412 2.136,413 0.999,414 2.194,415 0.776,416 3.247,417 1.549,418 0.722,419 1.05,421 1.74,422 0.582,423 1.894,424 0.642,425 3.069,426 1.426,427 0.519,428 0.65,430 1.24,431 0.468,432 1.747,433 0.39,434 3,435 1.341,436 0.383,437 0.556,439 0.953,440 0.366,441 0.825,442 -0.288,443 2.521,444 0.455,445 -0.516,446 -0.642,448 -1.243,449 -0.499,450 0.753,451 -0.656,452 2.199,453 0.304,454 -0.676,455 -0.936,457 -1.785,458 -0.654,459 0.573,460 -0.908,461 2.073,462 0.065,463 -0.914,464 -1.346,466 -2.347,467 -0.89,468 10.933,469 0.497,470 0.376,471 0.017,472 32.5,473 1.477,474 18.5,475 0.841,476 14,477 0.636,478 13.76,479 0.625,480 21.467,481 0.596,482 19.262,483 0.876,484 6.394,485 0.291,486 4.488,487 0.204,490 0.274,496 0.87,497 0.932,498 0.703,499 0.75,500 0.848,501 0.749,502 0.914,503 1.131,504 0.916,505 1.037,506 0.925,507 0.948,508 0.919,509 1.166,510 0.926,511 1.061,512 0.895,513 1.115,514 1.32,515 1.001,516 1.145,517 1.016,518 1.314,519 1.033,520 0.962,521 1.026,522 1.113,523 1.042,524 0.824,525 0.926,526 1.215,527 0.92,528 1.432,529 1.114,530 0.958,531 0.876,532 1.28,533 1.244,534 1.535,535 1.418,536 1.264,537 1.143,538 0.493,539 0.751,540 1.058,541 1.062,542 0.659,543 1.07,544 3.5,545 0.062,546 2,547 0.667,548 0.894,549 0.382,550 0.201,551 0.212,552 0.076,553 0.045,554 6023,555 15407,556 2.234,557 38.9,559 10,560 1,561 1,562 2,567 1.638,568 2.2,569 3.339,570 0.304,572 1,574 1,577 55.327,578 1.537,579 3.469,580 4.26,581 4.816,582 4.892,583 4.892,584 2.777,585 4.278,586 4.431,587 3.495,588 807.332,589 7.575,590 9097.63,592 1,593 1,594 1,595 186.117,596 0.845,597 4.433,598 0.14,599 0.005,600 0.059,601 0.023,602 0.037,603 0.017,604 0.009,605 0.012,606 0.005,607 0.003,608 0.311,609 0.17,610 1,612 102.821,613 0.058,614 0.105,615 0.06,616 0.094,617 -0.038,618 0.064,619 0.056,620 -0.102,621 -0.032,622 -0.126,623 -0.049,624 -0.09,625 -0.057,626 -0.224,627 -0.083,628 -0.159,629 -0.011,630 -0.172,631 -0.213,632 -0.002,633 -0.084,634 -0.004,635 -0.229,636 -0.047,637 0.01,638 -0.052,639 0.12,640 0.096,641 0.155,642 0.12,643 0.053,644 0.188,645 -0.017,646 0.102,647 0.169,648 0.099,649 -0.142,650 -0.178,651 -0.197,652 -0.242,653 -0.233,654 -0.177,655 0.253,656 0.149,657 -0.123,658 -0.083,659 0.152,660 -0.044,661 0.73,662 1.664,663 0.909,664 18.942,665 0.997,666 1.111,667 3.154,668 9.946,669 0.735,670 3.258,671 3.555,672 3.829,673 4.078,674 4.22,675 4.277,676 4.407,677 4.543,678 4.554,679 4.585,680 6.098,681 0.692,682 306.42,683 3.258,684 4.779,685 5.624,686 6.485,687 7.343,688 8.208,689 9.072,690 9.941,691 10.809,692 11.68,693 11.1,698 1,701 1,703 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 4,797 0.75,807 1,815 2,816 2,819 1,843 3,845 1,851 22,858 1,860 1,868 1,881 10,882 6.4,883 4.806,884 2.036,886 3.907,887 1.544,888 1.067,889 3.608,890 11.087,891 3.597,892 4.234,893 4.864,894 5.471,895 5.91,896 6.231,897 6.69,898 7.151,899 7.375,900 7.692,901 0.857,902 29,903 8.072,905 3.414,906 7.515,907 15.693,909 12.973,911 2.015,912 44.333,913 0.001,916 141.253,917 140.236,918 68.122,922 31.278,923 108.958,924 141.253,925 68.122,927 2.106,928 83.459,929 63.23,930 37.912,931 13.915,932 148.989,934 141.253,935 177.08,937 31.278,939 141.253,943 31.074,944 94.547,945 51.459,946 31.278,947 141.253,948 68.122,949 140.236,952 141.253,953 47.729,954 92.506,955 34.674,956 33.449,957 141.253,958 68.122,959 140.236,961 0.574,962 0.333,963 0.18,964 0.089,965 18,966 6,967 0.103,968 4,969 1,970 1.1,971 3.694,972 171.207,973 0.1,974 20,975 91.353,977 1,981 13.467,982 5.894,983 2.908,984 2.144,985 51.459,986 20.447,987 8.713,988 2.962,990 1.625,991 4.284,993 34.674,994 349.611,995 35.5,1007 35.902,1008 39.989,1009 0.297,1010 0.671,1011 0.824,1012 0.931,1013 0.946,1014 0.946,1015 4.79,1016 1.048,1017 5.572,1018 3.113,1019 4.234,1020 4.92,1021 0.623,1022 6.33,1023 4.146,1024 5.991,1025 1,1026 7.088,1027 2.376,1028 3.611,1029 4.559,1031 7.081,1032 3.503,1033 7.283,1034 0.722,1035 8.701,1036 2.136,1037 5.771,1038 7.161,1039 0.317,1040 10.164,1041 5.613,1042 8.616,1043 0.519,1044 10.374,1045 1.74,1046 6.043,1047 7.729,1049 11.781,1050 5.858,1051 9.982,1052 0.383,1053 12.086,1054 1.24,1055 7.583,1056 9.687,1057 0.149,1058 14.322,1059 7.368,1060 11.373,1061 -0.516,1062 13.825,1063 0.953,1064 8.267,1065 10.696,1067 16.286,1068 8.025,1069 12.781,1070 -0.676,1071 15.583,1072 -1.243,1073 9.546,1074 12.377,1075 0.067,1076 18.639,1077 9.281,1078 3.025,1079 -0.914,1080 17.355,1081 -1.785,1082 10.43,1083 13.611,1085 20.755,1086 10.14,1087 2.763,1088 9.635,1089 19.137,1090 -2.347,1091 11.594,1092 15.168,1093 0.03,1094 23.039,1095 11.283,1096 2.526,1097 8.708,1098 20.926,1099 4.392,1100 12.579,1101 16.515,1103 25.224,1104 12.243,1105 2.234,1106 7.099,1107 22.722,1108 3.843,1109 13.694,1110 18.017,1111 0.013,1112 27.483,1113 13.338,1114 1.538,1115 6.599,1116 24.523,1117 3.444,1118 14.728,1119 19.423,1121 29.701,1122 14.349,1123 1.533,1124 4.291,1125 26.328,1126 3.002,1127 15.824,1128 20.904,1129 0.006,1130 31.952,1131 15.425,1132 1.37,1133 3.811,1134 28.137,1135 2.301,1136 16.885,1137 22.34,1139 34.187,1140 16.464,1141 5521,1142 8961,1143 17.682,1144 26.478,1145 37.545,1146 37.32,1147 37.213,1148 37.228,1149 37.318,1150 52.703,1151 1.315,1152 103.403,1153 35.547,1154 5.297,1155 5.038,1156 6.107,1157 5.109,1158 5.025,1159 7.392,1160 1.315,1161 16.12,1162 4.957,1164 1.502,1165 1.493,1166 1.489,1167 1.489,1168 1.493,1169 2.108,1170 0.053,1171 4.136,1172 1.422,1173 4.112,1174 4.15,1175 4.238,1176 4.029,1177 5.104,1178 4.028,1179 3.92,1180 3.956,1181 4.017,1182 3.855,1183 4.85,1184 3.846,1185 3.774,1186 3.802,1187 3.824,1188 3.742,1189 4.736,1190 3.681,1191 3.332,1192 3.405,1193 3.29,1194 3.162,1195 4.309,1196 3.166,1197 3.171,1198 3.237,1199 3.094,1200 3.037,1201 3.974,1202 3.019,1203 2.927,1204 2.99,1205 2.835,1206 2.813,1207 3.752,1208 2.797,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.674,1214 2.715,1215 2.655,1216 2.74,1217 2.521,1218 2.458,1219 3.479,1220 2.461,1221 0.179,1222 0.122,1223 0.252,1224 0.16,1225 0.121,1226 4.47,1227 0.176,1228 3.038,1229 0.026,1230 6.305,1231 0.385,1232 3.999,1233 0.118,1234 3.025,1235 4.392,1236 0.657,1237 9.635,1238 2.957,1239 1.949,1240 1.929,1241 2.04,1242 2.022,1243 1.173,1244 2.025,1245 1.91,1246 1.879,1247 2.024,1248 1.997,1249 1.152,1250 2.013,1251 1.396,1252 1.368,1253 1.56,1254 1.654,1255 0.711,1256 1.618,1257 1.355,1258 1.31,1259 1.468,1260 1.606,1261 0.584,1262 1.595,1263 1.301,1264 1.228,1265 1.393,1266 1.415,1267 0.407,1268 1.435,1269 1.028,1270 0.997,1271 1.181,1272 1.113,1273 0.294,1274 1.179,1275 0.886,1276 0.821,1277 1.091,1278 1.068,1279 0.218,1280 1.107,1281 0.843,1282 0.768,1283 1.047,1284 1.062,1285 0.071,1286 1.088,1287 3.932,1289 5.231,1290 3.045,1291 6.715,1292 5.283,1293 8.281,1294 7.273,1295 9.889,1303 0.786,1305 3.372,1314 24.907,1315 55.327,1316 124.898,1317 153.362,1318 173.362,1319 176.117,1320 176.117,1321 21.174,1322 7.18,1323 53.6,1324 81.84,1325 22,1326 12.223,1327 4.459,1328 3.524,1329 30.157,1330 81,1331 74,1332 0.182,1333 156.228,1334 248.37,1335 372.957,1336 13094,1338 14.778,1339 0.672,1340 0.573,1341 15.131,1342 12.6,1343 10.882,1344 0.435,1345 0.317,1346 7.062,1347 10.165,1348 6.833,1349 5.678,1350 11.336,1351 7.932,1352 9.545,1353 0.281,1354 0.174,1355 10.122,1356 5.907,1357 8.287,1358 0.184,1359 0.096,1360 8.945,1361 4.327,1362 6.918,1363 0.119,1364 0.053,1365 7.617,1366 3.082,1367 5.195,1368 0.078,1369 0.029,1370 5.758,1371 1.971,1372 0.29,1373 71.651,1374 0.238,1375 22.127,1376 0.484,1377 118,1378 302.816,1379 148.333,1380 326.119,1381 459.66,1382 308,1383 138,1384 336.006,1385 164.228,1386 359.15,1387 521.42,1388 338,1389 5.1}
{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 10,237 1,238 3,241 2,242 1,246 13,249 1,250 1,253 1,258 7,264 3,269 3,272 2,276 908,277 17.654,278 17.654,279 17.654,280 17.654,281 17.654,282 15.423,283 9.487,284 10.544,285 17.989,286 14.391,287 14.391,288 14.391,289 14.391,290 14.391,291 11.011,292 17.5,293 5.063,294 14.975,295 4.059,296 1.851,297 1.111,298 0.611,299 0.489,300 0.489,301 3.988,304 1,305 1,306 1,307 488,308 2.236,311 94.047,312 176.466,315 171.152,319 1.258,320 12.916,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 53,332 214,333 4.681,334 3.31,335 6.866,336 4.206,337 3.265,338 4.621,339 0.4,340 11.5,341 3.089,342 4.407,343 2.922,344 6.22,345 3.889,346 2.916,347 4.349,349 9.323,350 2.825,351 3.854,352 2.614,353 5.916,354 3.473,355 2.507,356 3.373,358 8.164,359 2.427,360 3.557,361 2.439,362 5.437,363 3.4,364 2.436,365 2.744,367 7.182,368 2.334,369 3.235,370 1.935,371 5.04,372 2.82,373 1.877,374 2.392,376 5.639,377 1.768,378 3.047,379 1.548,380 4.513,381 2.518,382 1.548,383 2.32,385 4.366,386 1.507,387 3.034,388 1.534,389 4.338,390 2.501,391 1.534,392 2.3,394 4.064,395 1.474,396 2.757,397 1.476,398 3.699,399 2.411,400 1.435,401 1.88,403 3.099,404 1.397,405 2.551,406 1.266,407 3.609,408 2.222,409 1.264,410 1.57,412 2.89,413 1.207,414 2.455,415 1.052,416 3.472,417 2.002,418 1.041,419 1.449,421 2.399,422 1,423 2.116,424 1,425 3.401,426 2,427 1,428 1,430 2.136,431 0.998,432 2,433 0.793,434 3.247,435 1.669,436 0.735,437 0.984,439 1.891,440 0.685,441 1.894,442 0.399,443 3.034,444 1.365,445 0.399,446 0.595,448 0.99,449 0.384,450 1.152,451 0.034,452 2.796,453 0.87,454 -0.073,455 -0.086,457 -0.191,458 -0.069,459 0.806,460 -0.5,461 2.586,462 0.426,463 -0.547,464 -0.671,466 -1.405,467 -0.529,468 11.9,469 0.476,470 0.462,471 0.018,472 33.75,473 1.35,474 16.5,475 0.66,476 17.25,477 0.69,478 19.849,479 0.794,480 25.9,481 0.576,482 21.516,483 0.861,484 6.087,485 0.243,486 6.295,487 0.252,490 0.328,496 0.892,497 1.294,498 0.775,499 1.025,500 0.714,501 0.909,502 0.795,503 1.138,504 0.896,505 1.073,506 0.716,507 1.011,508 0.911,509 1.137,510 0.893,511 1.025,512 0.654,513 0.969,514 1.151,515 0.947,516 0.917,517 0.843,518 0.982,519 0.849,520 1.286,521 0.988,522 0.914,523 0.811,524 1,525 0.813,526 1.185,527 1.058,528 1.077,529 1.024,530 1.165,531 1.034,532 0.909,533 0.984,534 1.172,535 1.168,536 1.229,537 1.198,538 0.737,539 0.922,540 1.105,541 1.145,542 1.048,543 1.168,544 3.5,545 0.019,546 2.444,547 1.583,548 1.227,549 0.743,550 0.365,551 0.273,552 0.186,553 0.051,554 7343,555 15881,556 2.277,557 44.4,558 6,559 5,560 1,561 2,562 2,564 4,567 1.687,568 2.239,569 3.103,570 0.273,572 1,577 64.474,578 1.433,579 3.64,580 4.381,581 4.881,582 5.003,583 5.003,584 2.504,585 4.404,586 4.615,587 3.237,588 971.075,589 8.019,590 11459.3,592 1,594 1,595 247.133,596 0.904,597 4.616,598 0.121,599 0.003,600 0.06,601 0.041,602 0.035,603 0.021,604 0.009,605 0.008,606 0.008,607 0.003,608 0.308,609 0.5,610 0.88,612 117.972,613 0.057,614 -0.106,615 0.08,616 -0.017,617 0.138,618 0.025,619 0.188,620 -0.025,621 0.006,622 -0.083,623 0.175,624 -0.066,625 0.035,626 -0.159,627 0.078,628 -0.04,629 0.232,630 0.013,631 -0.063,632 0.017,633 0.091,634 0.109,635 0.041,636 0.118,637 -0.168,638 0.034,639 0.068,640 0.141,641 -0.042,642 0.136,643 -0.118,644 0.026,645 -0.144,646 -0.058,647 -0.128,648 -0.096,649 0.016,650 0.03,651 -0.23,652 -0.178,653 -0.219,654 -0.226,655 0.031,656 -0.019,657 -0.128,658 -0.128,659 -0.101,660 -0.145,661 0.942,662 1.798,663 0.96,664 19.373,665 0.995,666 1.131,667 2.952,668 8.712,669 0.675,670 3.401,671 3.738,672 4.078,673 4.407,674 4.654,675 4.787,676 4.997,677 5.193,678 5.268,679 5.357,680 5.375,681 0.64,682 332.45,683 3.401,684 4.949,685 5.826,686 6.72,687 7.616,688 8.521,689 9.425,690 10.335,691 11.245,692 12.158,693 13.3,698 1,701 2,703 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 6,797 0.6,807 1,810 1,815 2,816 3,819 2,843 3,851 25,858 5,860 1,863 1,881 11.167,882 7.967,883 5.389,884 2.979,886 4.143,887 1.53,888 1.064,889 3.673,890 11.957,891 3.689,892 4.35,893 5.043,894 5.725,895 6.281,896 6.73,897 7.262,898 7.789,899 8.107,900 8.554,901 0.833,902 39,903 9.231,905 4.014,906 7.453,907 18.25,909 15.766,911 1.953,912 48.833,915 1,916 211.88,917 91.994,918 86.194,923 91.994,924 211.88,925 86.194,927 12.673,928 46.952,929 91.787,930 48.174,931 13.915,932 176.567,934 211.88,935 178.188,939 164.795,940 47.084,943 55.088,944 54.855,945 68.245,947 211.88,948 86.194,949 91.994,952 211.88,953 26.946,954 66.334,955 34.674,956 50.234,957 211.88,958 86.194,959 91.994,961 0.578,962 0.346,963 0.2,964 0.109,965 23,966 8,967 0.061,968 3,969 2,970 1.167,971 3.797,972 225.41,973 0.167,974 24,975 112.096,981 14.912,982 6.158,983 2.687,984 2.849,985 68.245,986 13.89,987 13.341,988 3.002,991 3.072,993 34.674,994 390.068,995 39,1007 44.796,1008 50.896,1009 0.261,1010 0.663,1011 0.798,1012 0.889,1013 0.911,1014 0.911,1015 4.92,1016 1.435,1017 5.796,1018 4.064,1019 4.419,1020 5.037,1021 0.278,1022 6.629,1023 4.339,1024 6.128,1025 1.264,1026 7.356,1027 3.099,1028 3.892,1029 4.856,1031 7.545,1032 3.757,1033 7.444,1034 1.041,1035 9.02,1036 2.89,1037 6.019,1038 7.347,1039 0.05,1040 10.703,1041 5.851,1042 8.804,1043 1,1044 10.749,1045 2.399,1046 6.399,1047 8.109,1049 12.512,1050 6.166,1051 10.204,1052 0.735,1053 12.521,1054 2.136,1055 7.933,1056 10.01,1057 0.008,1058 15.165,1059 7.671,1060 11.633,1061 0.399,1062 14.323,1063 1.891,1064 8.735,1065 11.193,1067 17.334,1068 8.405,1069 13.084,1070 -0.073,1071 16.147,1072 0.99,1073 10.033,1074 12.86,1075 0.001,1076 19.828,1077 9.667,1078 3.265,1079 -0.547,1080 17.986,1081 -0.191,1082 11.03,1083 14.231,1085 22.147,1086 10.598,1087 2.916,1088 11.5,1089 19.838,1090 -1.405,1091 12.236,1092 15.804,1094 24.593,1095 11.761,1096 2.507,1097 9.323,1098 21.7,1099 4.621,1100 13.323,1101 17.255,1103 26.976,1104 12.785,1105 2.436,1106 8.164,1107 23.571,1108 4.349,1109 14.497,1110 18.791,1112 29.41,1113 13.909,1114 1.877,1115 7.182,1116 25.448,1117 3.373,1118 15.626,1119 20.277,1121 31.823,1122 14.977,1123 1.548,1124 5.639,1125 27.331,1126 2.744,1127 16.791,1128 21.799,1130 34.256,1131 16.089,1132 1.534,1133 4.366,1134 29.219,1135 2.392,1136 17.941,1137 23.301,1139 36.682,1140 17.179,1141 6653,1142 9971,1143 20.572,1144 30.364,1145 44.21,1146 43.873,1147 44.065,1148 43.936,1149 43.911,1150 59.156,1151 0.8,1152 127.284,1153 42.19,1154 5.681,1155 5.31,1156 6.668,1157 5.276,1158 5.265,1159 7.621,1160 0.8,1161 18.873,1162 5.089,1164 1.524,1165 1.513,1166 1.519,1167 1.515,1168 1.514,1169 2.04,1170 0.028,1171 4.389,1172 1.455,1173 4.167,1174 4.215,1175 4.14,1176 4.039,1177 5.156,1178 4.055,1179 4.018,1180 4.072,1181 3.985,1182 3.848,1183 5.058,1184 3.876,1185 3.844,1186 3.906,1187 3.704,1188 3.721,1189 4.479,1190 3.71,1191 3.456,1192 3.512,1193 3.391,1194 3.317,1195 4.324,1196 3.328,1197 3.245,1198 3.326,1199 3.131,1200 3.058,1201 4.175,1202 3.065,1203 3.111,1204 3.206,1205 2.949,1206 2.941,1207 3.978,1208 2.924,1209 3.095,1210 3.17,1211 2.866,1212 2.933,1213 3.757,1214 2.91,1215 2.921,1216 2.989,1217 2.801,1218 2.773,1219 3.694,1220 2.775,1221 0.161,1222 0.114,1223 0.237,1224 0.145,1225 0.113,1226 4.681,1227 0.159,1228 3.31,1229 0.014,1230 6.866,1231 0.397,1232 4.206,1233 0.107,1234 3.265,1235 4.621,1236 0.4,1237 11.5,1238 3.089,1239 1.956,1240 1.933,1241 2.097,1242 2.078,1243 1.477,1244 2.075,1245 1.879,1246 1.824,1247 2.023,1248 2.017,1249 1.178,1250 2.017,1251 1.809,1252 1.753,1253 1.911,1254 1.99,1255 0.965,1256 1.987,1257 1.395,1258 1.346,1259 1.544,1260 1.658,1261 0.825,1262 1.612,1263 1.307,1264 1.228,1265 1.513,1266 1.564,1267 0.81,1268 1.551,1269 1.153,1270 1.068,1271 1.464,1272 1.376,1273 0.523,1274 1.429,1275 1.14,1276 1.064,1277 1.347,1278 1.334,1279 0.406,1280 1.348,1281 0.923,1282 0.856,1283 1.124,1284 1.146,1285 0.207,1286 1.15,1287 4.078,1289 5.407,1290 3.045,1291 6.938,1292 5.416,1293 8.559,1294 7.535,1295 10.228,1303 6.365,1305 3.75,1308 0.505,1314 28.816,1315 64.474,1316 163.819,1317 197.159,1318 219.624,1319 225.133,1320 225.133,1321 26.747,1322 7.814,1323 70.9,1324 70.9,1325 28,1326 12.672,1327 4.392,1328 3.459,1329 31.82,1330 78,1331 81,1332 0.196,1333 173.405,1334 276.74,1335 414.867,1336 26766,1338 16.64,1339 0.666,1340 0.558,1341 16.64,1342 13.943,1343 12.382,1344 0.427,1345 0.307,1346 8.81,1347 11.967,1348 8.685,1349 7.184,1350 12.382,1351 8.915,1352 11.036,1353 0.269,1354 0.165,1355 11.036,1356 6.75,1357 9.909,1358 0.171,1359 0.087,1360 9.909,1361 5.063,1362 8.762,1363 0.108,1364 0.046,1365 8.762,1366 3.757,1367 7.207,1368 0.069,1369 0.026,1370 7.207,1371 2.68,1372 0.296,1373 77.055,1374 0.22,1375 23.787,1376 0.574,1377 140,1378 339.246,1379 151.906,1380 337.58,1381 487.46,1382 320,1383 169,1384 388.226,1385 182.627,1386 392.482,1387 581.16,1388 372,1389 5.2}
{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 8,237 1,241 2,242 1,246 6,249 1,253 1,264 3,269 3,276 624,277 15.085,278 15.085,279 15.085,280 15.085,281 15.085,282 12.854,283 9.487,284 8.882,285 15.437,286 12.391,287 12.391,288 12.391,289 12.391,290 12.391,291 9.011,292 17.5,293 4.24,294 12.988,295 3.777,296 1.455,297 0.724,298 0.461,299 0.461,300 0.461,301 3.848,304 1,305 1,306 1,307 361,308 2.739,311 82.37,312 97.378,315 150.002,319 1.136,320 11.841,321 1,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 47,332 163,333 4.68,334 3.306,335 6.864,336 4.204,337 3.263,338 4.621,339 0.4,340 11.492,341 3.087,342 4.407,343 2.92,344 6.22,345 3.888,346 2.915,347 4.349,349 9.322,350 2.822,351 3.853,352 2.458,353 5.916,354 3.401,355 2.444,356 3.373,358 8.163,359 2.334,360 3.422,361 2.39,362 5.24,363 3.184,364 2.235,365 2.712,367 6.297,368 2.116,369 3.049,370 1.793,371 4.532,372 2.691,373 1.744,374 2.321,376 4.62,377 1.652,378 3.034,379 1.548,380 4.509,381 2.518,382 1.547,383 2.3,385 4.365,386 1.507,387 3.014,388 1.534,389 4.333,390 2.497,391 1.534,392 2.077,394 4.047,395 1.464,396 2.751,397 1.268,398 3.616,399 2.222,400 1.265,401 1.87,403 2.89,404 1.208,405 2.525,406 1.053,407 3.492,408 2.002,409 1.041,410 1.537,412 2.396,413 0.998,414 2.124,415 0.781,416 3.399,417 1.655,418 0.722,419 0.983,421 1.833,422 0.672,423 1.894,424 0.399,425 3.034,426 1.364,427 0.399,428 0.595,430 0.989,431 0.384,432 1.083,433 -0.089,434 2.713,435 0.744,436 -0.195,437 -0.239,439 -0.513,440 -0.182,441 0.765,442 -0.611,443 2.4,444 0.334,445 -0.641,446 -0.852,448 -1.716,449 -0.621,450 0.66,451 -0.832,452 2.258,453 0.127,454 -0.835,455 -1,457 -2,458 -0.8,459 0.561,460 -0.927,461 2.101,462 0.044,463 -0.93,464 -1.243,466 -2.113,467 -0.905,468 10.4,469 0.473,470 0.538,471 0.024,472 31.75,473 1.443,474 16.5,475 0.75,476 15.25,477 0.693,478 15.292,479 0.695,480 22.6,481 0.595,482 20.467,483 0.93,484 6.112,485 0.278,486 4.608,487 0.209,488 0.096,490 0.375,496 0.921,497 1.339,498 0.748,499 1.027,500 0.894,501 0.891,502 0.833,503 1.07,504 0.762,505 0.917,506 0.739,507 0.844,508 1.121,509 1.167,510 0.956,511 1.01,512 0.891,513 0.967,514 1.085,515 0.954,516 0.857,517 0.813,518 0.972,519 0.803,520 1.408,521 1.087,522 1.101,523 0.955,524 1.042,525 0.978,526 1.051,527 1.074,528 1.188,529 1.18,530 1.174,531 1.2,532 0.728,533 0.918,534 1.167,535 1.213,536 1.148,537 1.248,538 0.511,539 0.834,540 0.941,541 1.069,542 0.736,543 1.07,544 4,546 2.444,547 1.646,548 1.236,549 0.848,550 0.416,551 0.336,552 0.162,553 0.049,554 4785,555 11763,556 2.176,557 42.1,559 5,560 1,561 2,562 2,564 6,567 1.652,568 2.063,569 2.925,570 0.348,571 1,572 1,574 1,577 55.911,578 1.471,579 3.793,580 4.524,581 4.787,582 4.787,583 4.787,584 2.244,585 4.278,586 4.432,587 3.068,588 708.695,589 7.647,590 7601.44,591 1,592 1,593 1,594 1,595 199.421,596 1.322,597 4.403,598 0.16,600 0.068,601 0.048,602 0.039,603 0.027,604 0.014,605 0.015,606 0.012,607 0.006,608 0.39,609 0.67,610 1,611 0.923,612 98.66,613 0.026,614 -0.16,615 0.069,616 -0.05,617 -0.069,618 0.004,619 0.198,620 0.04,621 0.128,622 0.043,623 0.169,624 0.069,625 -0.096,626 -0.131,627 -0.019,628 -0.052,629 0.02,630 -0.029,631 -0.057,632 0.016,633 0.136,634 0.15,635 0.028,636 0.168,637 -0.321,638 -0.014,639 -0.178,640 -0.015,641 -0.13,642 -0.065,643 -0.115,644 -0.047,645 -0.269,646 -0.204,647 -0.152,648 -0.249,649 0.111,650 0.014,651 -0.198,652 -0.209,653 -0.189,654 -0.243,655 0.218,656 -0.034,657 0.106,658 -0.029,659 0.165,660 0.013,661 1.031,662 1.686,663 0.818,664 15.215,665 1.001,666 1.133,667 2.239,668 5.011,669 0.68,670 3.258,671 3.611,672 3.932,673 4.277,674 4.511,675 4.644,676 4.804,677 4.956,678 4.97,679 4.997,680 4.847,681 0.652,682 292.38,683 3.258,684 4.812,685 5.687,686 6.592,687 7.491,688 8.403,689 9.311,690 10.226,691 11.138,692 12.054,693 15.8,698 1,701 2,703 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 6,797 0.5,807 1,810 1,815 2,816 2,819 2,843 2,847 2,851 22,860 1,863 1,881 10.667,882 7.467,883 4.722,884 2.313,886 4.101,887 1.559,888 1.042,889 3.085,890 11.436,891 3.584,892 4.284,893 4.99,894 5.692,895 6.25,896 6.698,897 7.219,898 7.737,899 8.039,900 8.474,901 0.8,902 34,903 8.068,905 3.436,906 7.561,907 15.582,909 12.91,911 2.061,912 45.333,916 164.795,917 96.971,918 86.194,923 96.971,924 164.795,925 86.194,926 17.65,928 46.952,929 91.787,930 48.174,931 13.915,932 129.482,934 164.795,935 183.166,939 94.169,940 70.627,943 60.066,944 54.855,945 68.245,947 164.795,948 86.194,949 96.971,952 164.795,953 14.274,954 83.984,955 34.674,956 50.234,957 164.795,958 86.194,959 96.971,961 0.584,962 0.338,963 0.201,964 0.115,965 20,966 8,967 0.073,968 3,969 2,970 1.222,971 3.423,972 185.538,973 0.222,974 18,975 96.107,981 13.286,982 5.109,983 2.273,984 2.773,985 68.245,986 13.615,987 13.098,988 2.968,991 2.902,993 34.674,994 347.961,995 35,1007 38.029,1008 43.066,1009 0.28,1010 0.723,1011 0.862,1012 0.912,1013 0.912,1014 0.912,1015 4.812,1016 1.265,1017 5.68,1018 4.047,1019 4.29,1020 4.97,1021 0.278,1022 6.532,1023 4.199,1024 6.051,1025 1.041,1026 7.256,1027 2.89,1028 3.892,1029 4.856,1031 7.496,1032 3.757,1033 7.38,1034 0.722,1035 8.935,1036 2.396,1037 5.911,1038 7.32,1039 0.05,1040 10.643,1041 5.725,1042 8.753,1043 0.399,1044 10.676,1045 1.833,1046 6.365,1047 8.103,1049 12.475,1050 6.127,1051 10.161,1052 -0.195,1053 12.457,1054 0.989,1055 7.849,1056 9.999,1057 0.008,1058 15.131,1059 7.567,1060 11.597,1061 -0.641,1062 14.267,1063 -0.513,1064 8.694,1065 11.19,1067 17.311,1068 8.356,1069 13.054,1070 -0.835,1071 16.097,1072 -1.716,1073 9.97,1074 12.857,1075 0.001,1076 19.808,1077 9.587,1078 3.263,1079 -0.93,1080 17.943,1081 -2,1082 10.992,1083 14.229,1085 22.133,1086 10.551,1087 2.915,1088 11.492,1089 19.801,1090 -2.113,1091 12.191,1092 15.802,1094 24.58,1095 11.701,1096 2.444,1097 9.322,1098 21.668,1099 4.621,1100 13.292,1101 17.254,1103 26.965,1104 12.745,1105 2.235,1106 8.163,1107 23.543,1108 4.349,1109 14.464,1110 18.79,1112 29.4,1113 13.865,1114 1.744,1115 6.297,1116 25.424,1117 3.373,1118 15.6,1119 20.276,1121 31.813,1122 14.944,1123 1.547,1124 4.62,1125 27.31,1126 2.712,1127 16.766,1128 21.798,1130 34.246,1131 16.056,1132 1.534,1133 4.365,1134 29.201,1135 2.321,1136 17.919,1137 23.3,1139 36.671,1140 17.152,1141 4518,1142 7223,1143 17.107,1144 25.841,1145 38.709,1146 38.193,1147 38.95,1148 38.219,1149 38.22,1150 53.478,1151 0.8,1152 112.83,1153 36.489,1154 5.461,1155 5.306,1156 6.545,1157 5.273,1158 5.263,1159 7.621,1160 0.8,1161 18.865,1162 5.087,1163 8.155,1164 1.548,1165 1.528,1166 1.558,1167 1.529,1168 1.529,1169 2.139,1170 0.032,1171 4.513,1172 1.46,1173 4.164,1174 4.211,1175 4.138,1176 4.036,1177 5.156,1178 4.053,1179 4.016,1180 4.071,1181 3.984,1182 3.84,1183 5.058,1184 3.872,1185 3.627,1186 3.706,1187 3.479,1188 3.459,1189 4.482,1190 3.451,1191 3.434,1192 3.491,1193 3.355,1194 3.294,1195 4.317,1196 3.302,1197 3.17,1198 3.239,1199 3.071,1200 3.011,1201 4.154,1202 3.017,1203 2.925,1204 3.009,1205 2.806,1206 2.778,1207 3.926,1208 2.78,1209 2.874,1210 2.993,1211 2.743,1212 2.618,1213 3.754,1214 2.604,1215 2.824,1216 2.912,1217 2.499,1218 2.57,1219 3.467,1220 2.57,1221 0.187,1222 0.132,1223 0.275,1224 0.168,1225 0.131,1226 4.68,1227 0.185,1228 3.306,1229 0.016,1230 6.864,1231 0.46,1232 4.204,1233 0.123,1234 3.263,1235 4.621,1236 0.4,1237 11.492,1238 3.087,1239 1.953,1240 1.932,1241 2.03,1242 2.061,1243 1.186,1244 2.042,1245 1.834,1246 1.778,1247 1.946,1248 2.017,1249 1.104,1250 2.005,1251 1.637,1252 1.566,1253 1.878,1254 1.843,1255 0.937,1256 1.862,1257 1.336,1258 1.284,1259 1.468,1260 1.648,1261 0.533,1262 1.6,1263 1.297,1264 1.227,1265 1.417,1266 1.474,1267 0.469,1268 1.458,1269 0.953,1270 0.887,1271 1.401,1272 1.239,1273 0.406,1274 1.308,1275 0.934,1276 0.804,1277 1.139,1278 1.179,1279 0.211,1280 1.176,1281 0.859,1282 0.789,1283 1.054,1284 1.083,1285 0.027,1286 1.092,1287 3.932,1289 5.273,1290 3.045,1291 6.806,1292 5.416,1293 8.431,1294 7.535,1295 10.108,1297 4.22,1305 3.474,1308 0.302,1314 24.762,1315 55.911,1316 144.118,1317 171.911,1318 181.911,1319 181.911,1320 181.911,1321 22.318,1322 7.335,1323 70.9,1324 70.9,1325 22,1326 12.566,1327 4.392,1328 3.459,1329 29.666,1330 62,1331 56,1332 0.235,1333 152.021,1334 237.2,1335 362.691,1336 14032,1338 15.104,1339 0.687,1340 0.564,1341 15.104,1342 12.408,1343 10.72,1344 0.429,1345 0.29,1346 7.149,1347 10.296,1348 6.939,1349 5.816,1350 10.72,1351 7.253,1352 9.926,1353 0.276,1354 0.155,1355 9.926,1356 5.57,1357 8.322,1358 0.166,1359 0.071,1360 8.322,1361 3.543,1362 7.498,1363 0.106,1364 0.036,1365 7.498,1366 2.59,1367 6.157,1368 0.068,1369 0.02,1370 6.157,1371 1.765,1372 0.351,1373 67.084,1374 0.242,1375 21.144,1376 0.699,1377 122,1378 321.246,1379 133.906,1380 319.916,1381 459.58,1382 302,1383 147,1384 366.226,1385 160.294,1386 371.089,1387 547.06,1388 350,1389 5.5}
{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 8,237 1,238 5,241 1,243 1,246 4,249 1,250 5,255 2,263 1,264 5,267 1,269 2,276 1582,277 20.223,278 20.223,279 20.223,280 20.223,281 20.223,282 17.814,283 13.2,284 12.029,285 20.783,286 16.329,287 16.329,288 16.329,289 16.329,290 16.329,291 12.715,292 13.238,293 5.748,294 17.224,295 4.075,296 2.024,297 1.224,298 0.681,299 0.627,300 0.627,301 4.123,305 1,306 1,307 651,308 2.55,311 142.621,312 255.411,315 109.726,319 1.486,320 23.083,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 63,332 291,333 4.615,334 3.274,335 6.911,336 4.215,337 3.248,338 4.444,339 0.86,340 11.635,341 3.143,342 4.368,343 2.926,344 6.186,345 3.87,346 2.89,347 4.2,348 0.8,349 9.211,350 2.831,351 3.976,352 2.898,353 5.854,354 3.555,355 2.595,356 3.564,358 8.047,359 2.495,360 3.549,361 2.846,362 5.361,363 3.425,364 2.501,365 2.927,367 6.996,368 2.301,369 3.538,370 2.428,371 5.172,372 3.126,373 2.178,374 2.762,376 6.176,377 2.052,378 3.389,379 2.195,380 5.032,381 2.997,382 2.051,383 2.496,385 5.999,386 1.926,387 3.034,388 2.07,389 4.423,390 2.517,391 1.534,392 2.301,394 4.232,395 1.507,396 2.763,397 1.534,398 4.343,399 2.417,400 1.523,401 1.852,403 3.88,404 1.361,405 2.619,406 1.475,407 3.792,408 2.231,409 1.315,410 1.676,412 3.113,413 1.19,414 2.5,415 1.256,416 3.632,417 2.093,418 1.136,419 1.5,421 2.635,422 1.084,423 2.485,424 1.137,425 3.427,426 2,427 1,428 1.484,430 2.275,431 1,432 2.346,433 1,434 3.414,435 1.952,436 1,437 1.271,439 2.159,440 0.946,441 2,442 0.867,443 3.247,444 1.802,445 0.859,446 1,448 2.136,449 0.808,450 1.901,451 0.743,452 3.139,453 1.529,454 0.588,455 0.674,457 1.413,458 0.55,459 1.679,460 0.412,461 3.028,462 1.352,463 0.387,464 0.546,466 0.958,467 0.372,468 13.619,469 0.47,470 0.568,471 0.02,472 37.75,473 1.302,474 18,475 0.621,476 19.75,477 0.681,478 23.239,479 0.801,480 30.781,481 0.604,482 28.119,483 0.97,484 7.666,485 0.264,486 6.61,487 0.228,488 0.021,490 0.316,494 1,496 0.703,497 1.198,498 0.719,499 1.089,500 0.534,501 0.941,502 1.124,503 0.984,504 0.946,505 0.874,506 0.672,507 0.867,508 0.987,509 0.973,510 1.039,511 0.982,512 0.85,513 1.015,514 0.708,515 1.014,516 0.96,517 1.051,518 0.682,519 1.048,520 0.669,521 0.763,522 0.841,523 0.803,524 0.415,525 0.834,526 0.571,527 0.86,528 0.906,529 0.995,530 0.494,531 1.014,532 0.587,533 1.019,534 0.926,535 1.14,536 0.629,537 1.108,538 0.889,539 1.035,540 1.04,541 1.088,542 0.857,543 1.088,544 4.5,545 0.139,546 3.111,547 1.444,548 1.447,549 0.781,550 0.593,551 0.492,552 0.258,553 0.153,554 11033,555 29337,556 2.215,557 43.1,559 19,561 2,562 1,567 1.727,568 2.148,569 3.299,570 -0.336,571 1,572 1,577 81.469,578 1.597,579 3.649,580 4.449,581 4.991,582 5.045,583 5.045,584 2.738,585 4.513,586 4.825,587 3.469,588 1408.59,589 8.447,590 18930.3,592 1,594 1,595 289.294,596 1.091,597 4.82,598 0.136,599 0.006,600 0.068,601 0.033,602 0.035,603 0.019,604 0.013,605 0.011,606 0.007,607 0.005,608 0.333,609 0.33,610 0.88,611 0.335,612 145.501,613 0.012,614 -0.138,615 0.075,616 -0.076,617 0.009,618 -0.007,619 -0.167,620 0.024,621 -0.053,622 0.083,623 -0.017,624 0.049,625 -0.082,626 0.014,627 -0.105,628 0.01,629 -0.018,630 -0.042,631 -0.042,632 -0.104,633 -0.024,634 -0.065,635 -0.014,636 -0.044,637 -0.027,638 0.061,639 0.114,640 0.154,641 0.018,642 0.163,643 0.101,644 0.055,645 -0.004,646 -0.001,647 0.054,648 -0.025,649 0.095,650 -0.099,651 -0.004,652 -0.147,653 0.042,654 -0.109,655 -0.033,656 -0.105,657 -0.07,658 -0.109,659 -0.015,660 -0.097,661 1.915,662 5.445,663 0.897,664 28.54,665 1.006,666 1.133,667 3.109,668 9.667,669 0.672,670 3.526,671 3.85,672 4.159,673 4.454,674 4.673,675 4.787,676 4.99,677 5.193,678 5.278,679 5.357,680 6.25,681 0.646,682 391.49,683 3.526,684 5.069,685 5.932,686 6.815,687 7.696,688 8.587,689 9.478,690 10.375,691 11.272,692 12.174,693 9.8,696 1,701 2,703 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 5,797 0.8,798 1,807 1,815 2,816 3,819 1,839 1,842 1,843 4,849 1,851 29,858 6,861 1,864 1,873 1,874 2,878 1,881 13.5,882 9.11,883 6.306,884 3.098,886 3.733,887 1.476,888 1.04,889 5.046,890 11.575,891 3.795,892 4.419,893 5.059,894 5.696,895 6.203,896 6.617,897 7.128,898 7.632,899 7.946,900 8.305,901 0.857,902 44,903 10.722,905 4.619,906 7.661,907 20.775,909 17.452,911 2.161,912 62.667,914 1,915 1,916 247.193,917 127.33,918 55.135,920 11,921 14.96,923 127.33,924 258.193,925 70.095,927 17.608,928 66.334,929 76.609,930 51.556,931 19.861,932 223.651,934 247.193,935 182.465,936 25.96,939 262.153,941 11,943 59.717,944 89.3,945 33.449,947 262.153,948 66.135,949 127.33,952 247.193,953 43.33,954 89.023,955 16.663,956 59.409,957 247.193,958 81.095,959 127.33,961 0.579,962 0.34,963 0.188,964 0.101,965 24,966 9,967 0.091,968 5,969 1,970 1.077,971 4.139,972 268.361,973 0.077,974 26,975 132.881,981 18.347,982 7.975,983 3.782,984 2.046,985 62.533,986 16.457,987 8.824,988 2.995,991 3.612,992 2.19,993 16.663,994 455.618,995 43.5,1007 51.301,1008 57.777,1009 0.282,1010 0.643,1011 0.784,1012 0.88,1013 0.889,1014 0.889,1015 5.026,1016 1.523,1017 5.9,1018 4.232,1019 4.533,1020 5.106,1021 1.235,1022 6.711,1023 4.438,1024 6.222,1025 1.315,1026 7.449,1027 3.88,1028 4.007,1029 4.856,1030 0.325,1031 7.612,1032 3.874,1033 7.526,1034 1.136,1035 9.102,1036 3.113,1037 6.116,1038 7.341,1039 0.938,1040 10.746,1041 5.95,1042 8.871,1043 1,1044 10.819,1045 2.635,1046 6.479,1047 8.013,1048 0.268,1049 12.558,1050 6.284,1051 10.253,1052 1,1053 12.581,1054 2.275,1055 7.999,1056 9.904,1057 0.732,1058 15.202,1059 7.775,1060 11.663,1061 0.859,1062 14.374,1063 2.159,1064 8.775,1065 10.999,1066 0.188,1067 17.386,1068 8.526,1069 13.093,1070 0.588,1071 16.191,1072 2.136,1073 10.062,1074 12.648,1075 0.57,1076 19.884,1077 9.785,1078 3.248,1079 0.387,1080 18.026,1081 1.413,1082 11.036,1083 13.942,1084 0.125,1085 22.222,1086 10.733,1087 2.89,1088 11.635,1089 19.876,1090 0.958,1091 12.231,1092 15.489,1093 0.438,1094 24.678,1095 11.901,1096 2.595,1097 9.211,1098 21.739,1099 4.444,1100 13.301,1101 16.877,1102 0.082,1103 27.08,1104 12.943,1105 2.501,1106 8.047,1107 23.611,1108 4.2,1109 14.465,1110 18.379,1111 0.334,1112 29.527,1113 14.078,1114 2.178,1115 6.996,1116 25.492,1117 3.564,1118 15.581,1119 19.812,1120 0.054,1121 31.955,1122 15.165,1123 2.051,1124 6.176,1125 27.38,1126 2.927,1127 16.737,1128 21.297,1129 0.252,1130 34.402,1131 16.291,1132 1.534,1133 5.999,1134 29.274,1135 2.762,1136 17.877,1137 22.751,1138 0.035,1139 36.843,1140 17.4,1141 10142,1142 16678,1143 23.057,1144 34.273,1145 49.978,1146 50.072,1147 50.284,1148 49.704,1149 49.612,1150 65.394,1151 3.32,1152 141.73,1153 47.129,1154 5.615,1155 5.274,1156 6.713,1157 5.318,1158 5.248,1159 7.444,1160 1.72,1161 18.858,1162 5.143,1163 7.271,1164 1.514,1165 1.517,1166 1.524,1167 1.506,1168 1.503,1169 1.982,1170 0.101,1171 4.295,1172 1.428,1173 4.144,1174 4.184,1175 4.11,1176 4.042,1177 8.201,1178 4.053,1179 3.972,1180 4.019,1181 3.933,1182 3.864,1183 5.106,1184 3.873,1185 3.821,1186 3.875,1187 3.74,1188 3.644,1189 4.921,1190 3.662,1191 3.733,1192 3.786,1193 3.644,1194 3.53,1195 4.624,1196 3.55,1197 3.329,1198 3.396,1199 3.223,1200 3.147,1201 4.546,1202 3.154,1203 3.228,1204 3.297,1205 3.106,1206 3.039,1207 4.321,1208 3.044,1209 3.111,1210 3.206,1211 2.866,1212 2.941,1213 4.008,1214 2.91,1215 2.933,1216 2.997,1217 2.824,1218 2.799,1219 3.768,1220 2.797,1221 0.14,1222 0.099,1223 0.209,1224 0.128,1225 0.098,1226 4.615,1227 0.135,1228 3.274,1229 0.026,1230 6.911,1231 0.353,1232 4.215,1233 0.095,1234 3.248,1235 4.444,1236 0.86,1237 11.635,1238 3.143,1239 1.976,1240 1.955,1241 2.051,1242 2.059,1243 1.283,1244 2.058,1245 1.874,1246 1.85,1247 1.972,1248 1.988,1249 1.198,1250 1.985,1251 1.752,1252 1.688,1253 1.96,1254 1.96,1255 1.066,1256 1.963,1257 1.529,1258 1.467,1259 1.739,1260 1.774,1261 1.002,1262 1.763,1263 1.313,1264 1.237,1265 1.513,1266 1.636,1267 0.825,1268 1.591,1269 1.265,1270 1.224,1271 1.465,1272 1.425,1273 0.555,1274 1.429,1275 1.153,1276 1.064,1277 1.342,1278 1.376,1279 0.406,1280 1.4,1281 1.088,1282 1.016,1283 1.319,1284 1.343,1285 0.347,1286 1.344,1287 4.205,1289 5.525,1290 3.045,1291 7.04,1292 5.352,1293 8.641,1294 7.413,1295 10.29,1299 13.445,1303 5.242,1306 5.449,1309 2.407,1314 32.946,1315 81.469,1316 186.093,1317 226.887,1318 254.539,1319 257.294,1320 257.294,1321 38.957,1322 7.841,1323 58.97,1324 58.97,1325 28,1326 12.696,1327 4.459,1328 3.524,1329 39.268,1330 100,1331 122,1332 0.178,1333 197.654,1334 329.86,1335 474.037,1336 26511,1337 2,1338 19.631,1339 0.677,1340 0.552,1341 18.761,1342 16.014,1343 14.276,1344 0.433,1345 0.298,1346 9.654,1347 13.61,1348 9.51,1349 7.78,1350 13.882,1351 9.825,1352 12.704,1353 0.276,1354 0.158,1355 12.082,1356 7.268,1357 11.121,1358 0.177,1359 0.086,1360 10.71,1361 5.43,1362 9.49,1363 0.112,1364 0.045,1365 9.339,1366 3.837,1367 7.642,1368 0.072,1369 0.025,1370 7.412,1371 2.612,1372 0.272,1373 90.117,1374 0.208,1375 27.26,1376 0.508,1377 158,1378 484.76,1379 174.09,1380 442.509,1381 608.79,1382 418,1383 188,1384 449.815,1385 205.141,1386 449.639,1387 660.54,1388 424,1389 5.1}
{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 4,238 3,241 1,242 1,243 5,246 4,249 1,250 3,253 3,254 1,255 2,258 3,263 1,264 3,269 2,272 1,276 1848,277 21.223,278 21.223,279 21.223,280 21.223,281 21.223,282 19.391,283 27.43,284 12.368,285 21.716,286 17.25,287 17.25,288 17.25,289 17.25,290 17.25,291 14.312,292 32.432,293 5.9,294 18.022,295 4.211,296 1.97,297 0.988,298 0.568,299 0.568,300 0.568,301 4.192,305 1,306 1,307 916,308 3.873,311 171.946,312 218.907,315 145.076,319 2.219,320 48.49,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 71.5,332 423,333 4.619,334 3.668,335 6.845,336 4.246,337 3.256,338 4.332,339 1.058,340 11.258,341 3.22,342 4.49,343 3.636,344 6.721,345 4.136,346 3.146,347 4.111,348 1.058,349 10.906,350 3.113,351 3.83,352 3.004,353 5.706,354 3.555,355 2.629,356 3.258,357 0.86,358 7.539,359 2.437,360 3.66,361 2.972,362 5.487,363 3.399,364 2.421,365 2.903,366 0.8,367 7.378,368 2.358,369 3.587,370 2.95,371 5.451,372 3.262,373 2.293,374 2.626,376 6.677,377 2.216,378 3.323,379 2.546,380 4.967,381 3.048,382 2.109,383 2.56,385 5.747,386 1.966,387 3.196,388 2.495,389 4.912,390 2.883,391 1.917,392 2.351,394 5.55,395 1.826,396 3.087,397 2.204,398 4.775,399 2.782,400 1.804,401 2.149,403 5.012,404 1.753,405 3.032,406 2.075,407 4.706,408 2.634,409 1.639,410 2.111,412 4.753,413 1.619,414 2.707,415 1.951,416 4.375,417 2.331,418 1.429,419 1.732,421 3.768,422 1.306,423 2.419,424 1.554,425 3.644,426 2.242,427 1.311,428 1.412,430 3.007,431 1.188,432 2.357,433 1.256,434 3.577,435 1.952,436 1,437 1.179,439 2.188,440 0.946,441 2,442 1.19,443 3.247,444 1.799,445 0.819,446 1,448 2.136,449 0.799,450 1.625,451 0.939,452 3.146,453 1.438,454 0.483,455 0.519,457 1.121,458 0.457,459 1.511,460 0.82,461 2.92,462 1.085,463 0.113,464 0.149,466 0.285,467 0.108,468 14.719,469 0.46,470 0.929,471 0.029,472 36.25,473 1.133,474 15,475 0.469,476 21.25,477 0.664,478 31.146,479 0.973,480 36.281,481 0.615,482 30.786,483 0.962,484 7.488,485 0.234,486 7.842,487 0.245,488 0.155,490 0.401,494 1,496 0.768,497 1.261,498 0.784,499 1.135,500 0.625,501 0.986,502 0.859,503 1.071,504 0.836,505 0.962,506 0.593,507 0.899,508 1.034,509 1.034,510 1.058,511 1.015,512 0.954,513 1.035,514 0.774,515 1.001,516 0.944,517 1.111,518 0.819,519 1.074,520 1.077,521 0.887,522 0.994,523 0.936,524 1.208,525 0.949,526 0.972,527 0.899,528 0.956,529 0.883,530 1.028,531 0.906,532 0.772,533 0.885,534 0.855,535 0.976,536 0.761,537 0.943,538 1.213,539 1.039,540 1.15,541 1.063,542 1.377,543 1.096,544 7,545 0.18,546 3.778,547 3.431,548 1.814,549 1.022,550 0.88,551 0.638,552 0.43,553 0.274,554 15023,555 43244,556 2.045,557 45.8,558 3,559 17,562 4,563 3,567 1.743,568 1.882,569 3.644,570 1.601,572 1,577 98.652,578 1.672,579 3.913,580 4.895,581 5.315,582 5.315,583 5.315,584 3.082,585 4.813,586 4.969,587 3.863,588 1916.02,589 8.683,590 28585.6,592 1,595 347.076,596 1.505,597 4.914,598 0.2,599 0.007,600 0.076,601 0.069,602 0.039,603 0.023,604 0.021,605 0.016,606 0.012,607 0.009,608 0.471,609 0.17,610 1,611 0.609,612 169.78,613 -0.086,614 -0.109,615 0.026,616 -0.008,617 -0.065,618 0.031,619 -0.043,620 -0.023,621 0.057,622 0.075,623 0.03,624 0.088,625 -0.095,626 0.002,627 -0.12,628 -0.003,629 -0.069,630 -0.057,631 -0.002,632 -0.071,633 -0.005,634 -0.119,635 0.003,636 -0.071,637 -0.029,638 -0.008,639 0.006,640 0.017,641 -0.032,642 0.015,643 0.022,644 0.023,645 0.041,646 0.076,647 0.027,648 0.068,649 0.049,650 -0.01,651 0.105,652 -0.002,653 0.031,654 0.053,655 -0.06,656 -0.081,657 -0.145,658 -0.1,659 -0.054,660 -0.145,661 2.096,662 5.816,663 0.625,664 36,665 1.014,666 1.138,667 1.078,668 1.163,669 0.643,670 3.584,671 3.932,672 4.205,673 4.489,674 4.644,675 4.663,676 4.82,677 4.934,678 4.942,679 5.011,680 7.755,681 0.621,682 442.54,683 3.584,684 5.142,685 5.999,686 6.891,687 7.767,688 8.663,689 9.55,690 10.449,691 11.342,692 12.245,693 6.8,696 1,700 2,701 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 4,797 0.75,798 4,800 1,811 1,815 2,816 2,819 1,829 1,834 1,835 1,839 1,841 1,842 1,843 3,847 2,849 1,851 32,857 1,858 6,860 2,861 1,863 1,864 1,873 1,874 6.8,875 1,877 2,878 1,881 17,882 10.96,883 6.944,884 3.472,886 2.828,887 1.362,888 0.959,889 6.767,890 10.638,891 3.795,892 4.366,893 4.917,894 5.478,895 5.914,896 6.203,897 6.615,898 7.018,899 7.292,900 7.613,901 0.889,902 50,903 11.977,905 5.266,906 8,907 22.41,909 18.613,911 2.5,912 80,916 270.735,917 112.706,918 55.931,920 103.973,921 14.96,923 112.706,924 374.708,925 70.891,926 17.65,927 53.629,928 80.588,929 70.699,930 44.53,931 20.474,932 270.735,934 270.735,935 168.637,936 118.933,939 285.695,940 50.29,941 53.683,943 91.189,944 67.972,945 9.476,947 285.695,948 159.904,949 112.706,952 270.735,953 57.15,954 58.68,955 52.807,956 118.933,957 270.735,958 174.865,959 112.706,961 0.59,962 0.345,963 0.19,964 0.1,965 24,966 12,967 0.097,968 6,969 1,970 1.1,971 4.303,972 289.601,973 0.1,974 20,975 156,981 22.679,982 9.549,983 4.968,985 158.079,986 4.132,988 3.144,991 2.994,993 95.49,994 558.306,995 43.5,1000 25.206,1002 1.632,1004 -0.296,1007 59.832,1008 67.153,1009 0.284,1010 0.665,1011 0.832,1012 0.903,1013 0.903,1014 0.903,1015 5.067,1016 1.804,1017 6.004,1018 5.55,1019 4.615,1020 5.053,1021 2.069,1022 6.838,1023 4.542,1024 6.273,1025 1.639,1026 7.581,1027 5.012,1028 4.29,1029 4.966,1030 0.325,1031 7.781,1032 4.213,1033 7.589,1034 1.429,1035 9.258,1036 4.753,1037 6.232,1038 7.206,1039 2.025,1040 10.91,1041 6.115,1042 8.94,1043 1.311,1044 10.992,1045 3.768,1046 6.711,1047 7.948,1048 0.268,1049 12.717,1050 6.605,1051 10.326,1052 1,1053 12.766,1054 3.007,1055 8.156,1056 9.709,1057 2.041,1058 15.374,1059 8.018,1060 11.738,1061 0.819,1062 14.568,1063 2.188,1064 9.009,1065 10.833,1066 0.188,1067 17.545,1068 8.884,1069 13.171,1070 0.483,1071 16.392,1072 2.136,1073 10.268,1074 12.41,1075 2.087,1076 20.041,1077 10.122,1078 3.256,1079 0.113,1080 18.234,1081 1.121,1082 11.294,1083 13.711,1084 0.125,1085 22.358,1086 11.155,1087 3.146,1088 11.258,1089 20.09,1090 0.285,1091 12.485,1092 15.212,1093 2.152,1094 24.797,1095 12.332,1096 2.629,1097 10.906,1098 21.957,1099 4.332,1100 13.588,1101 16.593,1102 0.082,1103 27.17,1104 13.436,1105 2.421,1106 7.539,1107 23.834,1108 4.111,1109 14.757,1110 18.064,1111 2.229,1112 29.589,1113 14.595,1114 2.293,1115 7.378,1116 25.719,1117 3.258,1118 15.894,1119 19.481,1120 0.054,1121 31.984,1122 15.728,1123 2.109,1124 6.677,1125 27.609,1126 2.903,1127 17.057,1128 20.94,1129 2.315,1130 34.397,1131 16.883,1132 1.917,1133 5.747,1134 29.505,1135 2.626,1136 18.209,1137 22.374,1138 0.035,1139 36.8,1140 18.029,1141 14279,1142 24393,1143 22.887,1144 37.915,1145 53.6,1146 55.464,1147 55.242,1148 52.785,1149 52.738,1150 64.783,1151 7.553,1152 154.651,1153 50.627,1154 5.619,1155 5.668,1156 6.647,1157 5.349,1158 5.256,1159 7.332,1160 2.117,1161 18.421,1162 5.22,1163 18.061,1164 1.531,1165 1.585,1166 1.578,1167 1.508,1168 1.507,1169 1.851,1170 0.216,1171 4.419,1172 1.446,1173 4.086,1174 4.116,1175 4.051,1176 3.991,1177 8.201,1178 4.002,1179 3.94,1180 3.971,1181 3.904,1182 3.84,1183 7.431,1184 3.85,1185 3.828,1186 3.888,1187 3.711,1188 3.614,1189 7.427,1190 3.629,1191 3.59,1192 3.647,1193 3.481,1194 3.377,1195 6.449,1196 3.392,1197 3.465,1198 3.49,1199 3.409,1200 3.317,1201 4.819,1202 3.329,1203 3.241,1204 3.3,1205 3.157,1206 3.024,1207 4.647,1208 3.008,1209 3.202,1210 3.284,1211 2.989,1212 2.947,1213 4.623,1214 2.985,1215 3.111,1216 3.206,1217 2.879,1218 2.941,1219 4.083,1220 2.91,1221 0.132,1222 0.105,1223 0.196,1224 0.121,1225 0.093,1226 4.619,1227 0.124,1228 3.668,1229 0.03,1230 6.845,1231 0.322,1232 4.246,1233 0.092,1234 3.256,1235 4.332,1236 1.058,1237 11.258,1238 3.22,1239 1.891,1240 1.872,1241 1.97,1242 2.002,1243 1.274,1244 1.995,1245 1.766,1246 1.718,1247 1.966,1248 1.97,1249 1.114,1250 1.97,1251 1.708,1252 1.672,1253 1.852,1254 1.871,1255 1.06,1256 1.861,1257 1.644,1258 1.598,1259 1.794,1260 1.835,1261 0.983,1262 1.823,1263 1.5,1264 1.443,1265 1.75,1266 1.723,1267 0.873,1268 1.734,1269 1.346,1270 1.302,1271 1.545,1272 1.582,1273 0.825,1274 1.56,1275 1.153,1276 1.064,1277 1.513,1278 1.418,1279 0.612,1280 1.429,1281 1.094,1282 1.024,1283 1.382,1284 1.376,1285 0.551,1286 1.409,1287 4.263,1289 5.602,1290 3.045,1291 7.119,1292 5.533,1293 8.718,1294 7.703,1295 10.363,1297 3.56,1299 13.696,1302 10.286,1303 3.421,1305 5.511,1306 5.301,1308 -0.688,1309 2.102,1314 36.65,1315 98.652,1316 230.856,1317 288.811,1318 313.566,1319 313.566,1320 313.566,1321 82.082,1322 7.81,1323 110.45,1324 110.45,1325 22,1326 12.767,1327 3.907,1328 3.248,1329 52.053,1330 148,1331 158,1332 0.169,1333 222.762,1334 399.33,1335 535.299,1336 29143,1337 1.7,1338 22.828,1339 0.713,1340 0.566,1341 21.957,1342 18.127,1343 15.329,1344 0.438,1345 0.303,1346 10.421,1347 14.566,1348 10.17,1349 8.35,1350 14.936,1351 10.617,1352 14.264,1353 0.285,1354 0.163,1355 13.63,1356 8.143,1357 11.755,1358 0.178,1359 0.088,1360 11.413,1361 5.827,1362 10.057,1363 0.114,1364 0.047,1365 9.845,1366 4.152,1367 7.72,1368 0.075,1369 0.025,1370 7.391,1371 2.626,1372 0.27,1373 97.458,1374 0.209,1375 30.254,1376 0.45,1377 170,1378 578.111,1379 191.152,1380 521.376,1381 690.62,1382 486,1383 201,1384 484.825,1385 221.263,1386 482.895,1387 710.76,1388 454,1389 7.187}
{0 CHEMBL1727312,1 1.496,2 5.75,3 2.335,4 5.451,5 61.741,6 8.087,7 0.667,8 3.391,9 3.501,10 3.038,11 3.019,12 4.564,13 3.008,14 3.846,15 3.969,16 3.392,17 3.392,18 5.034,19 3.361,20 4.162,21 4.341,22 3.536,23 3.534,24 5.304,25 3.499,26 4.154,27 4.358,28 3.354,29 3.399,30 5.369,31 3.348,32 3.997,33 4.218,34 3.029,35 3.226,36 5.16,37 3.139,38 3.596,39 3.821,40 2.427,41 2.829,42 4.665,43 2.684,44 3.168,45 3.438,46 1.674,47 2.339,48 3.989,49 2.115,50 2.554,51 2.915,52 0.441,53 1.458,54 2.996,55 1.12,56 0.023,57 0.37,58 4.368,59 2.074,60 3.845,61 2.491,62 0.058,63 0.577,64 7.225,65 3.508,66 8.372,67 4.384,68 0.105,69 0.804,70 11.903,71 4.82,72 16.974,73 6.06,74 0.191,75 0.777,76 12.941,77 4.652,78 25.149,79 5.778,80 0.169,81 0.613,82 12.03,83 4.543,84 31.414,85 5.602,86 0.094,87 0.393,88 7.965,89 3.316,90 20.449,91 4.223,92 0.044,93 0.253,94 5.486,95 2.328,96 10.279,97 3.239,98 0.027,99 0.131,100 3.585,101 1.341,102 5.304,103 2.052,104 2,105 25,106 0.292,107 0.491,108 0.611,109 0.77,110 0.851,111 0.901,112 2.857,113 0.851,114 -3.24,115 -3.23,116 -3.1,119 50,142 8,143 1,144 3,158 1,172 7,175 1,178 1,180 5,183 6,188 1,192 1,193 7,196 3,200 3,203 1,205 5,208 3,213 3,218 1,221 7,225 1,233 7,246 3,276 154,277 11.069,278 11.069,279 11.069,280 11.069,281 11.069,282 9.474,283 14.962,284 6.62,285 11.15,286 8.91,287 8.91,288 8.91,289 8.91,290 8.91,291 6.536,292 26.208,293 3.15,294 9.045,295 3.205,296 2.183,297 1.567,298 0.75,299 0.337,300 0.077,301 3.537,305 1,306 1,307 203,308 1.581,312 51.96,313 26.472,317 90.264,319 0.781,320 12.089,323 1,324 0.83,325 1,326 0.6,328 1,329 1,330 0.78,331 34,332 92,333 4.418,334 3.62,335 6.511,336 4.07,337 3.089,338 4.022,339 1.058,340 10.209,341 3.031,342 4.077,343 2.93,344 6.067,345 3.661,346 2.673,347 3.697,348 0.4,349 8.753,350 2.634,351 3.469,352 2.635,353 5.177,354 3.115,355 2.133,356 2.699,358 6.218,359 2.084,360 2.975,361 1.733,362 4.222,363 2.525,364 1.535,365 2.17,367 3.723,368 1.517,369 2.881,370 1.512,371 3.893,372 2.425,373 1.434,374 2.046,376 3.305,377 1.419,378 2.747,379 1.358,380 3.601,381 2.285,382 1.295,383 1.852,385 2.932,386 1.281,387 2.529,388 1.29,389 3.549,390 2.014,391 1,392 1.478,394 2.449,395 1.009,396 1.521,397 0.605,398 2.878,399 1.149,400 0.168,401 0.215,403 0.411,404 0.164,405 1.156,406 0.137,407 2.723,408 0.853,409 -0.109,410 -0.132,412 -0.281,413 -0.105,414 0.789,415 -0.186,416 2,417 0.319,418 -0.71,419 -1.014,421 -1.673,422 -0.72,423 0.606,424 -0.802,425 2,426 0.137,427 -0.86,428 -1.204,430 -2.079,431 -0.856,432 0.47,433 -0.842,434 1.748,435 0.011,436 -1,437 -1.466,439 -2.449,440 -1.014,441 0.211,442 -1.165,443 1.665,444 -0.222,445 -1.209,446 -1.723,448 -3.221,449 -1.193,450 -0.262,451 -1.39,452 1.231,453 -0.586,454 -1.6,455 -2.156,457 -4.542,458 -1.616,459 -0.5,460 -1.669,461 1.091,462 -0.97,463 -1.915,464 -2.222,466 -5.195,467 -1.793,468 7.633,469 0.477,470 0.329,471 0.021,472 24.75,473 1.547,474 14.5,475 0.906,476 10.25,477 0.641,478 7.983,479 0.499,480 15.767,481 0.606,482 14.87,483 0.929,484 5.023,485 0.314,486 2.82,487 0.176,488 0.044,490 0.328,496 0.771,497 1.009,498 0.716,499 0.801,500 0.566,501 0.746,502 0.553,503 1.275,504 0.822,505 1.105,506 0.549,507 1.024,508 0.971,509 1.198,510 0.899,511 1.031,512 0.843,513 0.965,514 1.319,515 1.01,516 1.105,517 0.99,518 1.167,519 0.996,520 1.523,521 0.739,522 1.124,523 0.863,524 1.647,525 0.927,526 1.196,527 0.876,528 1.265,529 1.119,530 1.489,531 1.207,532 0.532,533 0.959,534 1.199,535 1.24,536 0.748,537 1.319,538 0.102,539 0.759,540 0.837,541 0.98,542 0.166,543 1.017,544 2.5,546 1.778,547 1,548 1.109,549 0.268,550 0.109,551 0.015,554 1856,555 4944,556 2.174,557 38.5,559 8,562 2,567 1.559,568 2.087,569 2.594,570 0.39,574 1,577 38.886,578 1.496,579 2.518,580 3.133,581 3.95,582 4.364,583 4.624,584 1.805,585 3.328,586 3.98,587 2.602,588 312.203,589 6.732,590 2618.89,592 1,595 122.211,596 1.198,597 3.954,598 0.139,600 0.071,601 0.036,602 0.05,603 0.017,604 0.014,605 0.005,608 0.331,609 1,610 1,611 0.5,612 61.927,613 -0.098,614 0.048,615 0.02,616 0.082,617 -0.085,618 0.075,619 0.153,620 -0.269,621 -0.047,622 -0.207,623 0.033,624 -0.172,625 -0.008,626 -0.173,627 0.01,628 -0.122,629 -0.018,630 -0.069,631 -0.068,632 0.024,633 -0.113,634 -0.074,635 0.017,636 -0.086,637 -0.23,638 0.181,639 -0.077,640 0.133,641 -0.135,642 0.069,643 -0.168,644 -0.034,645 -0.234,646 -0.086,647 -0.185,648 -0.16,649 0.026,650 -0.156,651 -0.127,652 -0.165,653 -0.083,654 -0.175,655 0.278,656 0.012,657 0.441,658 0.173,659 0.187,660 0.3,661 1.743,662 4.917,663 0.938,664 7.172,665 1.003,666 1.11,667 2.008,668 4.034,669 0.712,670 2.944,671 3.258,672 3.555,673 3.829,674 4.078,675 4.143,676 4.22,677 4.248,678 4.263,679 4.248,680 3.602,681 0.687,682 210.25,683 2.944,684 4.466,685 5.323,686 6.201,687 7.074,688 7.957,689 8.835,690 9.719,691 10.599,692 11.483,693 7.7,700 1,701 1,709 8,714 4,716 12,723 1,728 1,735 26,737 13,738 2,739 18,741 28,742 13,743 12,744 4,745 8,746 1,748 3,749 6,762 13,767 1,772 1,776 1,780 1,783 10,784 3,785 2,786 3,792 2,797 0.333,798 1,816 2,817 1,821 2,843 1,851 16,860 2,874 3.8,877 1,881 7.667,882 4.583,883 3.5,884 1.479,886 2.589,887 1.398,888 1.056,889 2.065,890 9.09,891 3.258,892 3.85,893 4.425,894 4.982,895 5.514,896 5.656,897 6.024,898 6.366,899 6.692,900 6.988,901 0.75,902 28,903 5.888,905 2.544,906 7.771,907 11.173,909 9.243,911 2.271,912 36.333,913 0.003,916 94.169,917 91.97,918 36.022,920 25.145,923 91.97,924 119.314,925 36.022,927 18.011,928 75.81,929 29.85,930 29.467,932 94.169,934 94.169,935 127.992,936 25.145,939 94.169,940 25.145,943 36.022,944 91.97,947 94.169,948 61.166,949 91.97,952 94.169,953 16.16,954 75.81,955 36.022,956 25.145,957 94.169,958 61.166,959 91.97,961 0.577,962 0.346,963 0.197,964 0.11,965 14,966 5,969 2,970 1.267,971 2.824,972 116.008,973 0.267,974 15,975 62,981 9.278,982 3.56,983 1.559,985 61.166,986 15.135,991 3.23,993 36.022,994 247.306,995 25,1000 11.917,1004 -0.076,1007 26.065,1008 28.867,1009 0.318,1010 0.536,1011 0.667,1012 0.84,1013 0.928,1014 0.984,1015 4.466,1016 0.168,1017 5.293,1018 2.449,1019 3.932,1020 4.533,1021 1.27,1022 6.103,1023 3.9,1024 5.665,1025 -0.109,1026 6.845,1027 0.411,1028 3.434,1029 4.205,1031 6.986,1032 3.39,1033 6.963,1034 -0.71,1035 8.502,1036 -0.281,1037 5.509,1038 6.696,1039 1.27,1040 10.109,1041 5.438,1042 8.298,1043 -0.86,1044 10.222,1045 -1.673,1046 5.861,1047 7.192,1049 11.832,1050 5.776,1051 9.664,1052 -1,1053 11.982,1054 -2.079,1055 7.381,1056 9.133,1057 1.34,1058 14.437,1059 7.273,1060 11.054,1061 -1.209,1062 13.768,1063 -2.449,1064 8.137,1065 10.032,1067 16.491,1068 8.012,1069 12.462,1070 -1.6,1071 15.573,1072 -3.221,1073 9.418,1074 11.713,1075 1.423,1076 18.911,1077 9.274,1078 3.089,1079 -1.915,1080 17.39,1081 -4.542,1082 10.365,1083 12.823,1085 21.106,1086 10.203,1087 2.673,1088 10.209,1089 19.217,1090 -5.195,1091 11.544,1092 14.367,1093 1.51,1094 23.456,1095 11.364,1096 2.133,1097 8.753,1098 21.05,1099 4.022,1100 12.582,1101 15.592,1103 25.714,1104 12.382,1105 1.535,1106 6.218,1107 22.888,1108 3.697,1109 13.72,1110 17.062,1111 1.599,1112 28.038,1113 13.502,1114 1.434,1115 3.723,1116 24.731,1117 2.699,1118 14.8,1119 18.352,1121 30.325,1122 14.562,1123 1.295,1124 3.305,1125 26.577,1126 2.17,1127 15.923,1128 19.781,1129 1.69,1130 32.641,1131 15.667,1132 1,1133 2.932,1134 28.425,1135 2.046,1136 17.023,1137 21.108,1139 34.942,1140 16.748,1141 1804,1142 3020,1143 12.425,1144 18.512,1145 27.011,1146 27.812,1147 27.352,1148 26.666,1149 26.654,1150 36.358,1151 2.917,1152 76.003,1153 26.276,1154 5.241,1155 5.62,1156 6.197,1157 5.07,1158 5.089,1159 7.022,1160 2.117,1161 16.965,1162 5.031,1163 4.27,1164 1.501,1165 1.545,1166 1.52,1167 1.481,1168 1.481,1169 2.02,1170 0.162,1171 4.222,1172 1.46,1173 4.022,1174 4.054,1175 3.978,1176 3.931,1177 7.429,1178 3.938,1179 3.795,1180 3.824,1181 3.73,1182 3.744,1183 4.836,1184 3.737,1185 3.314,1186 3.35,1187 3.254,1188 3.095,1189 4.643,1190 3.126,1191 3.071,1192 3.149,1193 2.963,1194 2.887,1195 3.994,1196 2.897,1197 2.842,1198 2.903,1199 2.716,1200 2.722,1201 3.904,1202 2.711,1203 2.698,1204 2.748,1205 2.575,1206 2.59,1207 3.603,1208 2.581,1209 2.599,1210 2.681,1211 2.446,1212 2.357,1213 3.42,1214 2.379,1215 2.023,1216 2.139,1217 1.793,1218 1.613,1219 3.222,1220 1.623,1221 0.245,1222 0.201,1223 0.362,1224 0.226,1225 0.172,1226 4.418,1227 0.223,1228 3.62,1229 0.059,1230 6.511,1231 0.567,1232 4.07,1233 0.168,1234 3.089,1235 4.022,1236 1.058,1237 10.209,1238 3.031,1239 1.915,1240 1.888,1241 2.015,1242 2.01,1243 1.11,1244 2.014,1245 1.871,1246 1.844,1247 1.976,1248 1.973,1249 1.059,1250 1.973,1251 1.207,1252 1.172,1253 1.349,1254 1.465,1255 0.339,1256 1.432,1257 1.043,1258 0.977,1259 1.254,1260 1.273,1261 0.303,1262 1.275,1263 0.85,1264 0.794,1265 1.101,1266 1.024,1267 0.174,1268 1.054,1269 0.785,1270 0.723,1271 1.072,1272 0.968,1273 0.128,1274 1.01,1275 0.343,1276 0.3,1277 0.67,1278 0.606,1280 0.622,1281 0.089,1283 0.58,1284 0.533,1286 0.554,1287 3.611,1289 4.92,1291 6.438,1292 2.708,1293 8.046,1294 5.38,1295 9.696,1305 6.127,1314 17.865,1315 38.886,1316 65.457,1317 81.457,1318 102.702,1319 113.457,1320 120.211,1321 17.846,1322 6.501,1323 48.65,1324 48.65,1325 19,1326 12.017,1327 3.807,1328 3,1329 21.588,1330 39,1331 22,1332 0.324,1333 110.384,1334 186.89,1335 261.096,1336 4976,1338 10.958,1339 0.685,1340 0.533,1341 10.958,1342 8.527,1343 7.843,1344 0.436,1345 0.284,1346 5.061,1347 7.654,1348 4.969,1349 4.128,1350 7.843,1351 5.109,1352 6.962,1353 0.278,1354 0.147,1355 6.962,1356 3.67,1357 6.045,1358 0.178,1359 0.077,1360 6.045,1361 2.616,1362 5.224,1363 0.116,1364 0.041,1365 5.224,1366 1.826,1367 4.384,1368 0.076,1369 0.022,1370 4.384,1371 1.262,1372 0.468,1373 48.454,1374 0.284,1375 15.539,1376 1.014,1377 86,1378 236.401,1379 92.322,1380 235.024,1381 326.84,1382 220,1383 102,1384 246.143,1385 108.517,1386 251.304,1387 368.16,1388 238,1389 5.1}
{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 18,238 3,246 12,250 4,258 6,264 2,272 4,276 1030,277 18.024,278 18.024,279 18.024,280 18.024,281 18.024,282 15.368,283 3.956,284 10.7,285 18.548,286 14.274,287 14.274,288 14.274,289 14.274,290 14.274,291 10.318,292 2.018,293 5.044,294 14.991,295 3.833,296 2.137,297 1.333,298 0.78,299 0.685,300 0.685,301 4.005,305 1,306 1,307 562,308 2.236,311 70.671,312 251.944,319 1.402,320 18.898,323 0.75,324 0.83,325 1,326 0.6,328 1,329 1,330 0.74,331 55,332 258,333 4.567,334 4.327,335 6.747,336 4.171,337 3.203,338 4.3,339 2.95,340 11.08,341 3.102,342 4.128,343 3.206,344 6.081,345 3.734,346 2.755,347 3.735,349 8.835,350 2.695,351 3.977,352 2.896,353 5.772,354 3.555,355 2.574,356 3.57,358 7.837,359 2.525,360 3.754,361 2.71,362 5.297,363 3.303,364 2.379,365 3.256,367 6.77,368 2.187,369 3.574,370 2.476,371 5.052,372 3.155,373 2.213,374 2.933,376 6.062,377 2.06,378 3.209,379 2.429,380 4.673,381 2.723,382 1.774,383 2.495,385 4.879,386 1.673,387 2.885,388 1.854,389 4.205,390 2.366,391 1.435,392 2.054,394 3.569,395 1.329,396 2.513,397 1.487,398 3.91,399 2.009,400 1.065,401 1.518,403 2.918,404 1,405 2.5,406 1.169,407 3.457,408 2,409 1,410 1.5,412 2.275,413 1,414 2.5,415 1,416 3.414,417 2,418 1,419 1.5,421 2.275,422 0.998,423 2.5,424 1,425 3.414,426 1.984,427 1,428 1.5,430 2.204,431 0.983,432 2.278,433 1,434 3.247,435 1.719,436 0.796,437 1.172,439 2.136,440 0.732,441 1.644,442 0.824,443 2.804,444 1.281,445 0.477,446 0.54,448 0.734,449 0.374,450 1.134,451 0.572,452 2.601,453 0.722,454 -0.189,455 -0.238,457 -0.424,458 -0.167,459 0.828,460 0.299,461 2.364,462 0.43,463 -0.498,464 -0.624,466 -0.998,467 -0.447,468 12.819,469 0.493,470 0.516,471 0.02,472 38.75,473 1.49,474 22.5,475 0.865,476 16.25,477 0.625,478 17.694,479 0.681,480 25.581,481 0.609,482 27.004,483 1.039,484 7.547,485 0.29,486 5.194,487 0.2,488 0.061,490 0.312,494 1,496 0.624,497 0.917,498 0.682,499 0.801,500 0.567,501 0.784,502 0.714,503 1.006,504 1.053,505 1.072,506 0.601,507 0.925,508 1.048,509 1.102,510 1.003,511 1.028,512 0.965,513 1.005,514 1.066,515 1.047,516 1.032,517 0.998,518 0.885,519 1.048,520 0.685,521 0.695,522 0.693,523 0.679,524 0.45,525 0.825,526 0.5,527 0.762,528 0.694,529 0.845,530 0.484,531 0.914,532 0.56,533 1.003,534 0.902,535 1.108,536 0.697,537 1.164,538 0.958,539 0.965,540 0.885,541 0.943,542 0.963,543 1.086,544 4.5,545 0.07,546 2.889,547 1.16,548 1.426,549 1.14,550 0.375,551 0.28,552 0.326,553 0.195,554 7722,555 22824,556 2.148,557 38.1,559 13,561 2,562 1,567 1.697,568 2.053,569 3.259,570 -0.37,577 65.484,578 1.559,579 3.255,580 4.06,581 4.612,582 4.708,583 4.708,584 2.724,585 4.085,586 4.665,587 3.403,588 1105.88,589 8.122,590 13579.8,592 1,595 226.477,596 1.239,597 4.65,598 0.155,599 0.005,600 0.072,601 0.029,602 0.039,603 0.031,604 0.01,605 0.008,606 0.012,607 0.01,608 0.372,609 0.33,610 0.88,611 0.646,612 125.644,613 -0.029,614 -0.029,615 0.053,616 0.045,617 -0.061,618 0.039,619 0.003,620 -0.079,621 -0.105,622 -0.11,623 0.026,624 -0.045,625 -0.101,626 -0.115,627 -0.113,628 -0.105,629 -0.042,630 -0.097,631 -0.161,632 -0.095,633 -0.193,634 -0.132,635 -0.122,636 -0.151,637 -0.04,638 0.122,639 0.057,640 0.137,641 -0.006,642 0.121,643 0.164,644 0.082,645 0.093,646 0.021,647 0.11,648 0.038,649 0.129,650 -0.135,651 -0.077,652 -0.194,653 0.037,654 -0.209,655 -0.057,656 -0.055,657 -0.011,658 -0.025,659 -0.046,660 -0.072,661 1.928,662 5.329,663 0.885,664 23.663,665 1.002,666 1.111,667 4.569,668 20.88,669 0.736,670 3.401,671 3.714,672 4.007,673 4.277,674 4.554,675 4.682,676 4.828,677 4.963,678 5.118,679 5.142,680 5.851,681 0.698,682 361.47,683 3.401,684 4.934,685 5.79,686 6.666,687 7.544,688 8.431,689 9.32,690 10.214,691 11.11,692 12.008,693 7.1,701 1,703 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 3,797 1,809 1,815 1,816 3,843 4,844 1,845 1,847 1,849 1,851 26,862 1,873 1,881 12.667,882 7.96,883 5.778,884 2.352,886 3.348,887 1.457,888 1.039,889 4.659,890 10.68,891 3.726,892 4.353,893 4.984,894 5.6,895 6.178,896 6.531,897 7.012,898 7.479,899 7.957,900 8.307,901 0.857,902 40,903 9.566,905 4.061,906 7.718,907 18.268,909 14.936,911 2.218,912 57.667,915 1,916 176.567,917 180.337,918 50.357,921 14.96,922 32.22,923 148.118,924 176.567,925 65.317,926 7.19,928 94.762,929 59.441,930 57.866,931 17.717,932 185.244,934 176.567,935 198.474,936 14.96,937 32.22,939 191.527,943 39.965,944 124.938,945 33.571,946 32.22,947 191.527,948 50.357,949 180.337,952 176.567,953 60.289,954 120.048,955 16.786,956 48.531,957 176.567,958 65.317,959 180.337,961 0.574,962 0.338,963 0.181,964 0.106,965 20,966 8,967 0.089,968 4,970 1,971 3.812,972 225.159,974 23,975 110.211,977 1,981 16.713,982 7.247,983 3.485,985 48.531,986 22.009,987 8.89,988 3.425,991 6.259,993 16.786,994 422.22,995 40.5,1007 42.08,1008 46.661,1009 0.289,1010 0.604,1011 0.753,1012 0.855,1013 0.873,1014 0.873,1015 4.933,1016 1.065,1017 5.759,1018 3.569,1019 4.394,1020 5.04,1021 2.913,1022 6.561,1023 4.31,1024 6.143,1025 1,1026 7.307,1027 2.918,1028 3.892,1029 4.691,1031 7.445,1032 3.763,1033 7.443,1034 1,1035 8.956,1036 2.275,1037 5.974,1038 7.249,1039 5.027,1040 10.555,1041 5.828,1042 8.783,1043 1,1044 10.667,1045 2.275,1046 6.33,1047 7.752,1049 12.31,1050 6.14,1051 10.153,1052 0.796,1053 12.419,1054 2.204,1055 7.843,1056 9.719,1057 7.185,1058 14.934,1059 7.643,1060 11.548,1061 0.477,1062 14.199,1063 2.136,1064 8.598,1065 10.641,1067 17.049,1068 8.359,1069 12.96,1070 -0.189,1071 16.001,1072 0.734,1073 9.88,1074 12.338,1075 9.348,1076 19.517,1077 9.626,1078 3.203,1079 -0.498,1080 17.82,1081 -0.424,1082 10.833,1083 13.49,1085 21.79,1086 10.543,1087 2.755,1088 11.08,1089 19.651,1090 -0.998,1091 12.021,1092 15.052,1093 11.511,1094 24.206,1095 11.712,1096 2.574,1097 8.835,1098 21.493,1099 4.3,1100 13.073,1101 16.333,1103 26.55,1104 12.729,1105 2.379,1106 7.837,1107 23.344,1108 3.735,1109 14.229,1110 17.83,1111 13.675,1112 28.951,1113 13.859,1114 2.213,1115 6.77,1116 25.202,1117 3.57,1118 15.33,1119 19.186,1121 31.326,1122 14.927,1123 1.774,1124 6.062,1125 27.067,1126 3.256,1127 16.477,1128 20.652,1129 15.838,1130 33.725,1131 16.045,1132 1.435,1133 4.879,1134 28.937,1135 2.933,1136 17.604,1137 22.049,1139 36.114,1140 17.139,1141 7361,1142 12768,1143 19.879,1144 30.932,1145 43.748,1146 46.831,1147 44.422,1148 43.343,1149 43.344,1150 60.145,1151 5.9,1152 123.15,1153 41.317,1154 5.265,1155 6.327,1156 6.549,1157 5.206,1158 5.203,1159 7.3,1160 5.9,1161 18.235,1162 5.102,1163 9.656,1164 1.509,1165 1.615,1166 1.532,1167 1.495,1168 1.495,1169 2.074,1170 0.203,1171 4.247,1172 1.425,1173 4.088,1174 4.124,1175 4.081,1176 3.994,1177 8.201,1178 4.001,1179 3.871,1180 3.894,1181 3.942,1182 3.838,1183 5.033,1184 3.818,1185 3.829,1186 3.865,1187 3.781,1188 3.744,1189 4.841,1190 3.745,1191 3.598,1192 3.652,1193 3.636,1194 3.447,1195 4.658,1196 3.454,1197 3.192,1198 3.263,1199 3.37,1200 3.154,1201 4.514,1202 3.05,1203 2.895,1204 2.942,1205 2.849,1206 2.745,1207 3.895,1208 2.749,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.769,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.674,1220 2.715,1221 0.157,1222 0.149,1223 0.233,1224 0.144,1225 0.11,1226 4.567,1227 0.148,1228 4.327,1229 0.102,1230 6.747,1231 0.382,1232 4.171,1233 0.107,1234 3.203,1235 4.3,1236 2.95,1237 11.08,1238 3.102,1239 1.926,1240 1.902,1241 2.012,1242 2.019,1243 1.122,1244 2.018,1245 1.907,1246 1.886,1247 1.987,1248 1.982,1249 1.111,1250 1.992,1251 1.812,1252 1.78,1253 1.92,1254 1.918,1255 0.973,1256 1.924,1257 1.333,1258 1.282,1259 1.525,1260 1.555,1261 0.667,1262 1.552,1263 1.25,1264 1.211,1265 1.409,1266 1.415,1267 0.462,1268 1.459,1269 1.123,1270 1.043,1271 1.258,1272 1.349,1273 0.332,1274 1.335,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.078,1289 5.389,1290 2.398,1291 6.903,1292 4.727,1293 8.5,1294 6.862,1295 10.141,1297 2.052,1299 13.329,1307 1.703,1314 29.322,1315 65.484,1316 136.729,1317 170.503,1318 193.722,1319 197.722,1320 197.722,1321 35.351,1322 7.332,1323 41.57,1324 66.87,1325 23,1326 12.532,1327 4.585,1328 3.644,1329 37.756,1330 89,1331 108,1332 0.208,1333 183.147,1334 307.36,1335 438.638,1336 13117,1337 2.4,1338 17.933,1339 0.69,1340 0.574,1341 17.416,1342 14.925,1343 12.742,1344 0.439,1345 0.323,1346 8.185,1347 11.911,1348 7.848,1349 6.527,1350 12.905,1351 9.376,1352 11.166,1353 0.279,1354 0.166,1355 11.037,1356 6.66,1357 9.757,1358 0.181,1359 0.091,1360 9.839,1361 4.897,1362 7.958,1363 0.112,1364 0.045,1365 8.128,1366 3.211,1367 6.686,1368 0.071,1369 0.023,1370 6.726,1371 2.201,1372 0.318,1373 84.208,1374 0.224,1375 24.817,1376 0.597,1377 138,1378 418.595,1379 166.323,1380 412.45,1381 566.74,1382 388,1383 163,1384 406.231,1385 185.628,1386 422.983,1387 616,1388 398,1389 5.1}
{0 CHEMBL1738710,1 1.899,2 13.387,3 2.985,4 8.911,5 110.194,6 9.181,7 0.364,8 4.014,9 4.105,10 3.726,11 3.527,12 5.307,13 3.552,14 4.513,15 4.649,16 4.108,17 3.885,18 5.85,19 3.9,20 4.751,21 4.901,22 4.32,23 3.998,24 6.182,25 4.022,26 4.807,27 4.979,28 4.198,29 3.969,30 6.312,31 3.966,32 4.728,33 4.904,34 4.117,35 3.966,36 6.064,37 3.933,38 4.706,39 4.873,40 4.185,41 3.922,42 6.137,43 3.911,44 4.648,45 4.8,46 4.161,47 3.821,48 6.194,49 3.818,50 4.523,51 4.69,52 3.944,53 3.655,54 6.03,55 3.644,56 0.259,57 0.818,58 6.455,59 4.335,60 31.348,61 4.43,62 0.632,63 1.256,64 14.534,65 7.044,66 60.567,67 7.541,68 0.963,69 1.533,70 22.89,71 8.963,72 111.866,73 9.477,74 1.383,75 1.586,76 25.002,77 9.181,78 170.351,79 9.666,80 0.936,81 1.265,82 26.499,83 9.344,84 124.042,85 10.776,86 1.018,87 1.267,88 23.871,89 8.39,90 124.86,91 9.005,92 1.083,93 1.103,94 27.927,95 7.996,96 138.217,97 8.067,98 1.028,99 1.045,100 23.526,101 7.047,102 123.962,103 7.642,104 54,105 46,106 0.32,107 0.693,108 0.836,109 0.903,110 0.91,111 0.91,112 3.472,113 0.867,114 -4.69,115 -4.61,116 -4.33,119 42.9,120 1,125 3,138 1,139 1,142 6,143 3,144 3,158 3,172 7,174 3,175 4,178 1,180 1,183 8,188 10,192 1,193 2,196 5,199 3,200 9,205 1,208 1,212 1,213 8,216 2,218 2,221 3,225 9,230 3,233 4,237 2,238 5,241 2,243 1,246 3,250 6,253 1,255 2,258 2,263 1,267 1,269 1,272 5,276 1687,277 20.491,278 20.491,279 20.491,280 20.491,281 20.491,282 18.259,283 23.081,284 12,285 21.026,286 16.15,287 16.15,288 16.15,289 16.15,290 16.15,291 12.67,292 23.906,293 5.593,294 17.114,295 3.715,296 1.504,297 0.658,298 0.26,299 0.219,300 0.219,301 4.149,302 1,305 1,306 1,307 865,308 3.606,312 339.663,319 2.271,320 58.876,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 70.833,332 415,333 4.506,334 3.854,335 6.777,336 4.147,337 3.199,338 4.054,339 1.306,340 11.003,341 3.043,342 4.267,343 3.56,344 6.248,345 3.849,346 2.888,347 3.882,348 1.22,349 9.189,350 2.764,351 4.219,352 3.279,353 6.058,354 3.799,355 2.832,356 3.775,357 1.058,358 8.699,359 2.723,360 3.901,361 3.085,362 5.956,363 3.544,364 2.578,365 3.239,366 0.777,367 8.278,368 2.464,369 3.481,370 2.897,371 5.388,372 3.103,373 2.165,374 2.781,375 0.324,376 6.423,377 2.004,378 3.4,379 2.714,380 4.96,381 3,382 2.062,383 2.568,385 5.806,386 1.907,387 3.095,388 2.329,389 4.673,390 2.621,391 1.696,392 2.166,394 4.594,395 1.561,396 2.89,397 2.175,398 4.233,399 2.581,400 1.629,401 1.979,403 3.924,404 1.537,405 2.851,406 1.919,407 4.175,408 2.413,409 1.471,410 1.953,412 3.763,413 1.368,414 2.692,415 1.842,416 3.984,417 2.141,418 1.179,419 1.697,421 3.086,422 1.121,423 2.39,424 1.835,425 3.385,426 2.125,427 1.146,428 1.336,430 2.203,431 1.101,432 2.101,433 1.493,434 3.275,435 1.743,436 0.861,437 1.009,439 2,440 0.735,441 1.709,442 1.057,443 2.998,444 1.197,445 0.274,446 0.333,448 0.624,449 0.217,450 1.479,451 1.003,452 2.833,453 1.098,454 0.215,455 0.253,457 0.453,458 0.183,459 1.296,460 0.754,461 2.498,462 1.03,463 0.1,464 0.119,466 0.176,467 0.091,468 14.319,469 0.462,470 0.86,471 0.028,472 38.75,473 1.25,474 18.5,475 0.597,476 20.25,477 0.653,478 26.163,479 0.844,480 34.281,481 0.7,482 34.269,483 1.105,484 8.262,485 0.267,486 6.55,487 0.211,488 0.195,490 0.377,494 2,496 0.699,497 1.098,498 0.579,499 0.999,500 0.616,501 0.878,502 0.764,503 0.956,504 0.671,505 0.87,506 0.66,507 0.841,508 0.904,509 1.158,510 0.779,511 1.124,512 0.911,513 0.985,514 1.002,515 0.883,516 0.917,517 0.864,518 1.012,519 0.957,520 0.793,521 0.801,522 1.061,523 0.993,524 0.772,525 0.991,526 1.003,527 0.868,528 1.07,529 0.913,530 1.034,531 0.939,532 1.113,533 0.873,534 1.548,535 1.104,536 1.003,537 1.056,538 0.967,539 0.811,540 1.271,541 1.096,542 0.873,543 1.083,544 6.5,545 0.165,546 4.667,547 2.375,548 2.071,549 1.306,550 0.872,551 0.601,552 0.439,553 0.247,554 12603,555 49537,556 1.975,557 36.7,558 3,559 12,561 1,562 2,567 1.736,568 1.806,569 3.659,570 0.289,572 1,577 93.069,578 1.899,579 4.111,580 4.956,581 5.354,582 5.395,583 5.395,584 3.268,585 4.761,586 4.919,587 3.836,588 1783.56,589 8.593,590 25761.4,592 1,595 275.121,596 1.541,597 4.858,598 0.197,599 0.007,600 0.101,601 0.047,602 0.046,603 0.03,604 0.02,605 0.015,606 0.014,607 0.009,608 0.487,609 0.17,610 1,611 1.284,612 162.471,613 -0.081,614 -0.121,616 -0.036,617 -0.069,618 0.004,619 -0.013,620 -0.012,621 0.052,622 0.074,623 -0.013,624 0.072,625 0.004,626 -0.154,627 0.108,628 -0.152,629 -0.032,630 -0.044,631 0.016,632 0.114,633 -0.037,634 0.077,635 -0.006,636 -0.023,637 -0.023,638 -0.043,639 -0.019,640 -0.005,641 -0.017,642 0.022,643 -0.1,644 -0.003,645 -0.011,646 0.053,647 -0.099,648 0.014,649 -0.105,650 -0.06,651 -0.184,652 -0.105,653 -0.027,654 -0.119,655 0.05,656 0.063,657 -0.094,658 -0.109,659 0.065,660 -0.118,661 2.462,662 5.772,663 0.581,664 36.229,665 1.039,666 1.137,667 3.463,668 11.993,669 0.682,670 3.526,671 3.85,672 4.111,673 4.304,674 4.533,675 4.595,676 4.644,677 4.736,678 4.836,679 4.883,680 7.534,681 0.679,682 449.87,683 3.526,684 5.069,685 5.916,686 6.788,687 7.655,688 8.532,689 9.407,690 10.289,691 11.168,692 12.052,693 6.1,700 2,702 1,709 6,714 6,716 12,723 1,734 2,735 49,737 16,738 2,739 33,741 51,742 21,743 12,744 6,745 6,746 5,747 1,748 3,749 3,750 1,754 2,762 17,763 4,766 1,767 4,772 2,774 1,775 1,776 4,780 1,781 2,783 18,784 9,785 2,786 10,787 1,792 3,793 1,797 1,798 4,799 1,816 3,830 1,834 1,841 1,842 1,843 3,847 1,848 1,849 2,851 31,857 1,858 3,860 1,861 1,864 1,873 3,874 8.2,875 1,877 2,878 1,881 17.167,882 9.112,883 6.944,884 2.713,886 2.838,887 1.379,888 0.944,889 7.389,890 10.325,891 3.784,892 4.357,893 4.894,894 5.367,895 5.871,896 6.059,897 6.288,898 6.571,899 6.907,900 7.177,901 1,902 51,903 11.561,905 5.066,906 8.348,907 20.668,909 16.385,911 2.848,912 88.278,915 1,916 188.338,917 129.279,918 37.921,919 39.149,920 103.973,921 29.92,923 129.279,924 331.459,925 67.841,926 8.825,927 27.833,928 99.541,929 94.589,930 52.156,931 29.92,932 176.567,933 39.149,934 188.338,935 167.2,936 133.893,937 39.149,939 218.258,940 50.29,941 53.683,943 53.444,944 110.255,945 42.649,947 218.258,948 141.894,949 168.428,952 188.338,953 54.978,954 77.426,955 18.011,956 189.827,957 188.338,958 171.814,959 168.428,961 0.583,962 0.346,963 0.173,964 0.096,965 20,966 11,967 0.137,968 7,970 1,971 4.113,972 270.032,974 18,975 153.58,981 22.883,982 10.01,983 5.283,985 171.814,986 7.761,991 -0.1,993 60.694,994 528.58,995 43,1000 24.92,1002 1.183,1003 4.022,1004 -1.605,1007 50.916,1008 55.693,1009 0.338,1010 0.732,1011 0.883,1012 0.954,1013 0.961,1014 0.961,1015 5.03,1016 1.629,1017 5.916,1018 4.594,1019 4.533,1020 5.043,1021 2.388,1022 6.735,1023 4.423,1024 6.247,1025 1.471,1026 7.494,1027 3.924,1028 4.205,1029 4.913,1030 0.325,1031 7.673,1032 4.04,1033 7.564,1034 1.179,1035 9.172,1036 3.763,1037 6.142,1038 7.206,1039 2.624,1040 10.765,1041 5.946,1042 8.915,1043 1.146,1044 10.907,1045 3.086,1046 6.608,1047 7.847,1048 0.766,1049 12.496,1050 6.354,1051 10.295,1052 0.861,1053 12.677,1054 2.203,1055 8.039,1056 9.644,1057 2.946,1058 15.125,1059 7.756,1060 11.696,1061 0.274,1062 14.47,1063 2,1064 8.86,1065 10.635,1066 1.259,1067 17.193,1068 8.519,1069 13.113,1070 0.215,1071 16.282,1072 0.624,1073 10.098,1074 12.224,1075 3.318,1076 19.659,1077 9.725,1078 3.199,1079 0.1,1080 18.106,1081 0.453,1082 11.082,1083 13.39,1084 1.773,1085 21.884,1086 10.653,1087 2.888,1088 11.003,1089 19.941,1090 0.176,1091 12.246,1092 14.877,1093 3.725,1094 24.29,1095 11.779,1096 2.832,1097 9.189,1098 21.784,1099 4.054,1100 13.307,1101 16.136,1102 2.298,1103 26.593,1104 12.785,1105 2.578,1106 8.699,1107 23.634,1108 3.882,1109 14.445,1110 17.571,1111 4.159,1112 28.98,1113 13.88,1114 2.165,1115 8.278,1116 25.49,1117 3.775,1118 15.542,1119 18.88,1120 2.826,1121 31.324,1122 14.924,1123 2.062,1124 6.423,1125 27.351,1126 3.239,1127 16.674,1128 20.288,1129 4.612,1130 33.708,1131 16.01,1132 1.696,1133 5.806,1134 29.217,1135 2.781,1136 17.791,1137 21.626,1138 3.357,1139 36.074,1140 17.074,1141 12498,1142 24951,1143 21.096,1144 33.421,1145 49.476,1146 52.482,1147 51.822,1148 48.692,1149 48.588,1150 62.289,1151 9.371,1152 140.445,1153 45.635,1154 5.369,1155 5.854,1156 6.64,1157 5.235,1158 5.199,1159 7.054,1160 2.588,1161 18.517,1162 5.043,1163 19.59,1164 1.499,1165 1.59,1166 1.57,1167 1.476,1168 1.472,1169 1.888,1170 0.284,1171 4.256,1172 1.383,1173 4.009,1174 4.035,1175 4.033,1176 3.914,1177 8.211,1178 3.921,1179 3.923,1180 3.946,1181 3.884,1182 3.84,1183 8.191,1184 3.845,1185 3.749,1186 3.772,1187 3.849,1188 3.588,1189 7.431,1190 3.615,1191 3.587,1192 3.648,1193 3.483,1194 3.364,1195 7.426,1196 3.378,1197 3.288,1198 3.332,1199 3.259,1200 3.106,1201 6.456,1202 3.107,1203 3.233,1204 3.277,1205 3.168,1206 3.021,1207 4.969,1208 3.038,1209 2.974,1210 3.042,1211 3.126,1212 2.821,1213 4.687,1214 2.82,1215 2.947,1216 2.989,1217 2.881,1218 2.733,1219 4.547,1220 2.734,1221 0.137,1222 0.117,1223 0.205,1224 0.126,1225 0.097,1226 4.506,1227 0.123,1228 3.854,1229 0.04,1230 6.777,1231 0.333,1232 4.147,1233 0.092,1234 3.199,1235 4.054,1236 1.306,1237 11.003,1238 3.043,1239 1.946,1240 1.923,1241 2.037,1242 2.057,1243 1.175,1244 2.048,1245 1.887,1246 1.867,1247 1.978,1248 1.995,1249 1.113,1250 1.989,1251 1.638,1252 1.619,1253 1.786,1254 1.848,1255 0.998,1256 1.82,1257 1.525,1258 1.462,1259 1.657,1260 1.767,1261 0.702,1262 1.76,1263 1.254,1264 1.201,1265 1.546,1266 1.48,1267 0.624,1268 1.495,1269 1.158,1270 1.112,1271 1.397,1272 1.416,1273 0.55,1274 1.405,1275 0.902,1276 0.861,1277 1.178,1278 1.234,1279 0.198,1280 1.226,1281 0.886,1282 0.815,1283 1.114,1284 1.075,1285 0.173,1286 1.08,1287 4.205,1289 5.525,1291 7.045,1293 8.658,1295 10.319,1297 1.743,1298 6.121,1299 26.769,1302 8.843,1303 -0.412,1305 2.53,1306 5.345,1309 1.159,1314 33.259,1315 93.069,1316 201.43,1317 242.856,1318 262.366,1319 264.366,1320 264.366,1321 101.23,1322 7.487,1323 93.45,1324 93.45,1325 18,1326 12.586,1327 4.087,1328 3.459,1329 58.348,1330 139,1331 154,1332 0.205,1333 207.853,1334 382.09,1335 498.92,1336 18226,1337 6.1,1338 22.543,1339 0.727,1340 0.552,1341 21.303,1342 17.119,1343 14.812,1344 0.449,1345 0.289,1346 8.991,1347 13.752,1348 8.792,1349 7.245,1350 14.296,1351 9.533,1352 13.286,1353 0.289,1354 0.15,1355 12.468,1356 6.922,1357 11.303,1358 0.188,1359 0.079,1360 10.954,1361 4.716,1362 8.614,1363 0.118,1364 0.04,1365 8.245,1366 2.95,1367 6.837,1368 0.074,1369 0.021,1370 6.689,1371 1.957,1372 0.326,1373 97.994,1374 0.218,1375 29.371,1376 0.553,1377 158,1378 689.405,1379 196.947,1380 629.618,1381 808.56,1382 582,1383 185,1384 535.8,1385 223.363,1386 536.792,1387 788.56,1388 502,1389 5}
{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 8,237 2,238 4,242 1,243 2,246 6,249 1,250 6,253 1,255 2,258 4,263 2,264 5,267 3,269 1,272 2,276 2322,277 24.11,278 24.11,279 24.11,280 24.11,281 24.11,282 22.074,283 35.476,284 14.211,285 24.581,286 19.202,287 19.202,288 19.202,289 19.202,290 19.202,291 15.954,292 47.942,293 6.676,294 19.915,295 4.507,296 2.261,297 1.174,298 0.701,299 0.617,300 0.617,301 4.295,306 1,307 1136,308 3.317,311 212.996,312 368.107,319 2.31,320 31.594,323 1,324 0.67,325 1,326 1,327 0.5,328 1,329 1,330 0.88,331 75.5,332 515,333 4.376,334 3.654,335 6.519,336 4.018,337 3.061,338 3.919,339 1.058,340 10.253,341 2.961,342 4.256,343 3.488,344 6.279,345 3.972,346 3,347 3.806,348 1.058,349 9.528,350 2.89,351 4.084,352 3.292,353 6.071,354 3.78,355 2.796,356 3.499,357 0.8,358 8.778,359 2.745,360 3.958,361 2.895,362 5.861,363 3.596,364 2.618,365 3.237,366 0.8,367 8.054,368 2.554,369 3.627,370 2.824,371 5.468,372 3.442,373 2.504,374 2.914,375 0.4,376 7.258,377 2.346,378 3.574,379 2.473,380 5.271,381 3.229,382 2.269,383 2.657,385 6.642,386 2.167,387 3.289,388 2.301,389 5.076,390 3.062,391 2.074,392 2.354,394 5.947,395 2.042,396 2.96,397 2.018,398 4.385,399 2.551,400 1.581,401 2.058,403 4.258,404 1.525,405 2.94,406 1.84,407 4.297,408 2.429,409 1.467,410 1.984,412 3.932,413 1.406,414 2.718,415 1.623,416 4.039,417 2.323,418 1.345,419 1.662,421 3.33,422 1.312,423 2.606,424 1.41,425 3.829,426 2.196,427 1.198,428 1.614,430 2.913,431 1.186,432 2.5,433 1.23,434 3.483,435 2.029,436 1.106,437 1.5,439 2.54,440 1.018,441 2.343,442 1.109,443 3.446,444 2,445 1,446 1.337,448 2.317,449 1,450 2,451 1,452 3.414,453 1.972,454 1,455 1,457 2.275,458 0.97,459 1.945,460 0.976,461 3.335,462 1.782,463 0.81,464 0.896,466 2.088,467 0.784,468 16.467,469 0.47,470 0.742,471 0.021,472 43,473 1.229,474 19,475 0.543,476 24,477 0.686,478 31.971,479 0.913,480 38.133,481 0.578,482 34.673,483 0.991,484 8.33,485 0.238,486 8.772,487 0.251,488 0.071,490 0.322,496 0.802,497 1.514,498 0.817,499 1.159,500 0.539,501 1.007,502 0.847,503 1.192,504 0.928,505 1.013,506 0.519,507 0.973,508 0.881,509 1.005,510 0.98,511 1.03,512 0.716,513 1.017,514 1.057,515 1.059,516 0.949,517 1,518 1.042,519 0.966,520 0.893,521 0.929,522 0.944,523 0.938,524 0.805,525 0.942,526 0.668,527 1.009,528 0.955,529 1.125,530 0.678,531 1.091,532 0.868,533 0.968,534 0.895,535 1.019,536 1.023,537 0.978,538 1.191,539 0.997,540 0.961,541 0.987,542 1.454,543 0.956,544 6.5,545 0.166,546 4,547 1.91,548 1.658,549 1.223,550 0.721,551 0.517,552 0.375,553 0.247,554 20779,555 47527,556 2.141,557 47,559 17,560 1,561 2,562 3,564 8,567 1.764,568 2.039,569 3.832,570 0.82,577 101.487,578 1.538,579 3.784,580 4.87,581 5.343,582 5.427,583 5.427,584 3.283,585 4.708,586 5.1,587 4.019,588 2391.46,589 8.935,590 38833.3,595 398.93,596 1.271,597 5.076,598 0.167,599 0.005,600 0.074,601 0.036,602 0.033,603 0.024,604 0.015,605 0.012,606 0.01,607 0.008,608 0.382,609 0.33,610 0.75,611 0.597,612 192.323,613 -0.051,614 -0.249,615 0.06,616 -0.066,617 -0.001,618 0.001,619 0.031,620 -0.026,621 0.006,622 -0.002,623 0.088,624 0.001,625 0.04,626 0.032,627 -0.013,628 -0.037,629 0.096,630 -0.033,631 -0.062,632 -0.072,633 0.034,634 -0.008,635 -0.013,636 0.023,637 0.079,638 0.073,639 0.036,640 0.053,641 0.15,642 0.044,643 0.138,644 -0.022,645 -0.001,646 -0.096,647 0.114,648 -0.074,649 0.099,650 -0.046,651 0.094,652 -0.013,653 0.084,654 0.031,655 0.009,656 -0.065,657 0.052,658 -0.008,659 -0.018,660 0.023,661 2.043,662 5.919,663 0.8,664 42.429,665 1,666 1.135,667 1.787,668 3.193,669 0.653,670 3.689,671 4.007,672 4.29,673 4.533,674 4.71,675 4.804,676 4.942,677 5.024,678 5.124,679 5.187,680 8.574,681 0.62,682 473.64,683 3.689,684 5.231,685 6.084,686 6.956,687 7.822,688 8.696,689 9.567,690 10.443,691 11.316,692 12.193,693 10.6,696 1,698 1,699 1,700 2,703 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 7,797 1,798 2,806 1,812 2,815 2,816 3,829 1,834 2,835 1,839 1,843 5,847 1,851 35,858 8,860 3,863 1,864 2,874 3,877 2,881 17.167,882 11.883,883 7.722,884 4.16,886 2.768,887 1.333,888 0.998,889 7.234,890 11.092,891 3.912,892 4.431,893 4.952,894 5.436,895 5.922,896 6.132,897 6.459,898 6.686,899 6.971,900 7.224,901 0.9,902 53,903 13.008,905 5.593,906 7.676,907 25.181,909 21.097,911 2.176,912 76.167,916 329.591,917 127.859,918 93.852,920 50.29,923 127.859,924 379.881,925 93.852,926 8.396,927 63.63,928 47.381,929 137.58,930 36.228,931 14.099,932 294.278,934 329.591,935 221.711,936 50.29,939 235.422,940 144.459,943 78.558,944 79.338,945 63.815,947 329.591,948 144.142,949 127.859,952 329.591,953 44.94,954 89.169,955 54.032,956 83.861,957 329.591,958 144.142,959 127.859,961 0.579,962 0.345,963 0.184,964 0.094,965 26,966 11,967 0.1,968 7,970 1,971 4.693,972 328.939,974 28,975 171.525,981 23.679,982 10.693,983 5.455,985 144.142,986 10.894,987 8.595,991 2.846,993 54.032,994 601.592,995 49,1000 25.289,1002 3.173,1004 0.11,1007 65.97,1008 74.889,1009 0.254,1010 0.626,1011 0.806,1012 0.884,1013 0.898,1014 0.898,1015 5.165,1016 1.581,1017 6.057,1018 5.947,1019 4.691,1020 5.118,1021 2.044,1022 6.849,1023 4.623,1024 6.336,1025 1.467,1026 7.603,1027 4.258,1028 4.205,1029 4.796,1030 0.57,1031 7.695,1032 4.114,1033 7.625,1034 1.345,1035 9.248,1036 3.932,1037 6.271,1038 7.174,1039 1.945,1040 10.777,1041 6.133,1042 8.946,1043 1.198,1044 10.95,1045 3.33,1046 6.635,1047 7.669,1048 0.479,1049 12.447,1050 6.473,1051 10.299,1052 1.106,1053 12.688,1054 2.913,1055 8.12,1056 9.515,1057 1.97,1058 15.018,1059 7.917,1060 11.672,1061 1,1062 14.452,1063 2.54,1064 8.864,1065 10.386,1066 0.346,1067 17.026,1068 8.635,1069 13.06,1070 1,1071 16.233,1072 2.317,1073 10.116,1074 12.001,1075 2.033,1076 19.418,1077 9.85,1078 3.061,1079 0.81,1080 18.026,1081 2.275,1082 11.039,1083 13.069,1084 0.237,1085 21.578,1086 10.744,1087 3,1088 10.253,1089 19.829,1090 2.088,1091 12.193,1092 14.566,1093 2.112,1094 23.905,1095 11.864,1096 2.796,1097 9.528,1098 21.64,1099 3.919,1100 13.203,1101 15.746,1102 0.158,1103 26.136,1104 12.843,1105 2.618,1106 8.778,1107 23.457,1108 3.806,1109 14.318,1110 17.179,1111 2.201,1112 28.441,1113 13.924,1114 2.504,1115 8.054,1116 25.279,1117 3.499,1118 15.37,1119 18.424,1120 0.104,1121 30.708,1122 14.944,1123 2.269,1124 7.258,1125 27.105,1126 3.237,1127 16.471,1128 19.821,1129 2.296,1130 33.008,1131 16.011,1132 2.074,1133 6.642,1134 28.935,1135 2.914,1136 17.545,1137 21.106,1138 0.068,1139 35.293,1140 17.052,1141 19236,1142 29440,1143 26.641,1144 43.086,1145 58.506,1146 60.281,1147 59.103,1148 58.071,1149 58.072,1150 71.459,1151 8.233,1152 164.97,1153 56.112,1154 5.376,1155 5.654,1156 6.135,1157 5.086,1158 5.061,1159 6.919,1160 2.117,1161 17.079,1162 4.961,1163 13.921,1164 1.5,1165 1.546,1166 1.515,1167 1.489,1168 1.489,1169 1.832,1170 0.211,1171 4.23,1172 1.439,1173 4.028,1174 4.073,1175 3.971,1176 3.916,1177 7.434,1178 3.922,1179 3.933,1180 3.98,1181 3.885,1182 3.805,1183 7.424,1184 3.821,1185 3.85,1186 3.904,1187 3.75,1188 3.713,1189 5.006,1190 3.712,1191 3.74,1192 3.799,1193 3.672,1194 3.58,1195 4.725,1196 3.58,1197 3.69,1198 3.742,1199 3.578,1200 3.525,1201 4.52,1202 3.546,1203 3.333,1204 3.416,1205 3.245,1206 3.115,1207 4.368,1208 3.138,1209 3.258,1210 3.319,1211 3.124,1212 3.006,1213 4.234,1214 3.023,1215 3.148,1216 3.24,1217 2.936,1218 2.97,1219 4.184,1220 2.95,1221 0.112,1222 0.094,1223 0.167,1224 0.103,1225 0.078,1226 4.376,1227 0.1,1228 3.654,1229 0.027,1230 6.519,1231 0.263,1232 4.018,1233 0.076,1234 3.061,1235 3.919,1236 1.058,1237 10.253,1238 2.961,1239 1.925,1240 1.899,1241 2.02,1242 2.051,1243 1.295,1244 2.037,1245 1.865,1246 1.832,1247 1.943,1248 2.005,1249 1.211,1250 1.995,1251 1.673,1252 1.61,1253 1.901,1254 1.874,1255 1.169,1256 1.878,1257 1.633,1258 1.583,1259 1.86,1260 1.841,1261 1.047,1262 1.826,1263 1.577,1264 1.507,1265 1.772,1266 1.751,1267 1.01,1268 1.793,1269 1.507,1270 1.434,1271 1.754,1272 1.711,1273 0.871,1274 1.736,1275 1.323,1276 1.254,1277 1.579,1278 1.576,1279 0.76,1280 1.581,1281 1.267,1282 1.176,1283 1.559,1284 1.541,1285 0.571,1286 1.551,1287 4.369,1289 5.687,1290 3.045,1291 7.191,1292 5.209,1293 8.776,1294 7.125,1295 10.405,1297 1.759,1303 9.582,1305 8.358,1308 0.526,1309 5.033,1314 40.901,1315 101.487,1316 249.737,1317 321.42,1318 352.665,1319 358.175,1320 358.175,1321 61.712,1322 8.323,1323 106.25,1324 106.25,1325 28,1326 12.732,1327 4.087,1328 3.459,1329 52.469,1330 182,1331 167,1332 0.138,1333 249.483,1334 442.94,1335 600.498,1336 58755,1338 24.2,1339 0.691,1340 0.57,1341 24.2,1342 19.958,1343 17.102,1344 0.439,1345 0.314,1346 12.06,1347 16.425,1348 11.826,1349 9.781,1350 17.102,1351 12.238,1352 15.14,1353 0.28,1354 0.17,1355 15.14,1356 9.169,1357 13.2,1358 0.183,1359 0.095,1360 13.2,1361 6.844,1362 10.805,1363 0.117,1364 0.054,1365 10.805,1366 4.977,1367 8.264,1368 0.075,1369 0.028,1370 8.264,1371 3.049,1372 0.223,1373 107.243,1374 0.194,1375 32.746,1376 0.361,1377 186,1378 507.05,1379 203.917,1380 492.275,1381 677.36,1382 462,1383 219,1384 502.118,1385 238.168,1386 508.188,1387 743.88,1388 479,1389 6}
{0 CHEMBL178737,1 1.637,2 12.811,3 1.698,4 2.882,5 134.974,6 8.14,7 0.465,8 4.262,9 4.37,10 3.919,11 3.79,12 5.371,13 3.806,14 4.839,15 4.996,16 4.335,17 4.239,18 5.947,19 4.238,20 5.092,21 5.27,22 4.448,23 4.434,24 6.158,25 4.407,26 5.197,27 5.385,28 4.475,29 4.478,30 6.372,31 4.443,32 5.209,33 5.396,34 4.485,35 4.459,36 6.414,37 4.423,38 5.199,39 5.402,40 4.429,41 4.438,42 6.336,43 4.391,44 5.214,45 5.43,46 4.349,47 4.382,48 6.317,49 4.335,50 5.081,51 5.291,52 4.14,53 4.25,54 6.169,55 4.181,56 0.095,57 0.974,58 10.547,59 5.083,60 9.863,61 6.115,62 0.581,63 1.65,64 22.787,65 8.572,66 32.366,67 10.632,68 0.563,69 2.008,70 31.318,71 12.257,72 46.912,73 15.42,74 0.77,75 2.182,76 36.06,77 13.384,78 97.655,79 16.951,80 0.957,81 2.172,82 36.963,83 13.601,84 89.581,85 17.3,86 0.639,87 2.099,88 37.757,89 14.479,90 76.225,91 18.919,92 0.796,93 2.088,94 40.419,95 13.907,96 91.223,97 17.845,98 0.819,99 1.83,100 34.763,101 12.003,102 87.93,103 15.187,104 10,105 64,106 0.258,107 0.625,108 0.776,109 0.858,110 0.868,111 0.868,112 3.643,113 0.862,114 -2.89,115 -2.89,116 -2.8,119 44.3,125 7,136 2,142 6,143 3,145 1,151 2,152 2,158 2,159 1,161 1,172 9,174 4,175 10,178 2,180 2,183 8,187 2,188 11,193 1,196 6,199 2,200 11,203 1,205 1,208 6,212 7,213 8,216 2,218 1,221 6,224 3,225 12,230 4,233 4,237 1,238 15,243 2,246 3,249 2,250 10,253 1,258 3,263 2,264 6,272 5,276 2401,277 25.637,278 25.637,279 25.637,280 25.637,281 25.637,282 22.865,283 24.126,284 14.811,285 26.252,286 21.253,287 21.253,288 21.253,289 21.253,290 21.253,291 16.715,292 28.026,293 7.016,294 22.193,295 4.294,296 1.969,297 1.008,298 0.492,299 0.426,300 0.426,301 4.371,306 1,307 1083,308 3.162,311 208.195,312 264.661,313 86.65,315 237.546,316 124.381,317 135.781,318 152.563,319 2.107,320 43.68,323 1,324 0.5,325 1,326 0.8,327 0.5,328 1,329 1,330 0.83,331 81,332 474,333 4.831,334 3.839,335 7.195,336 4.418,337 3.432,338 4.749,339 1.745,340 12.69,341 3.388,342 4.632,343 3.801,344 6.891,345 4.177,346 3.212,347 4.539,348 1.2,349 11.552,350 3.107,351 4.338,352 3.353,353 6.472,354 3.909,355 2.965,356 3.949,357 0.86,358 10.016,359 2.79,360 4.102,361 3.257,362 6.383,363 3.828,364 2.875,365 3.29,366 0.8,367 9.65,368 2.723,369 3.706,370 3.044,371 5.886,372 3.373,373 2.392,374 3.078,375 0.791,376 7.958,377 2.349,378 3.458,379 2.704,380 5.423,381 3.111,382 2.156,383 2.786,384 0.456,385 6.663,386 2.077,387 3.429,388 2.548,389 5.263,390 3.07,391 2.111,392 2.724,393 0.046,394 6.26,395 2.007,396 3.244,397 2.305,398 5.176,399 2.968,400 2.002,401 2.381,403 6.117,404 1.907,405 3.152,406 2.237,407 4.974,408 2.764,409 1.751,410 2.318,412 5.244,413 1.757,414 3.046,415 2.042,416 4.654,417 2.508,418 1.546,419 2.19,421 4.369,422 1.489,423 2.933,424 1.904,425 4.335,426 2.468,427 1.513,428 2.009,430 3.708,431 1.445,432 2.696,433 1.658,434 4.077,435 2.375,436 1.438,437 1.772,439 3.338,440 1.328,441 2.644,442 1.546,443 3.912,444 2.228,445 1.248,446 1.683,448 3.076,449 1.216,450 2.576,451 1.316,452 3.728,453 2.138,454 1.162,455 1.554,457 2.876,458 1.129,459 2.429,460 1.256,461 3.576,462 1.952,463 1,464 1.324,466 2.493,467 0.946,468 17.233,469 0.466,470 0.919,471 0.025,472 48.75,473 1.318,474 22,475 0.595,476 26.75,477 0.723,478 33.14,479 0.896,480 38.567,481 0.632,482 42.987,483 1.162,484 9.79,485 0.265,486 8.307,487 0.225,488 0.058,490 0.412,496 0.737,497 1.477,498 0.667,499 1.1,500 0.5,501 0.905,502 0.879,503 0.965,504 0.848,505 0.797,506 0.546,507 0.8,508 0.938,509 1.042,510 0.899,511 0.962,512 0.82,513 0.925,514 0.991,515 1.051,516 0.996,517 0.997,518 1.065,519 0.991,520 0.918,521 0.981,522 0.986,523 1.007,524 1.161,525 1.012,526 0.85,527 1.06,528 0.863,529 1.064,530 0.989,531 0.989,532 1.196,533 0.987,534 1.01,535 0.953,536 1.178,537 0.945,538 1.227,539 0.959,540 1.214,541 1.016,542 1.3,543 1.097,544 5.5,545 0.198,546 4.444,547 3.931,548 2.137,549 1.56,550 1.183,551 0.715,552 0.432,553 0.279,554 21361,555 57462,556 2.228,557 39.3,559 20,560 2,561 1,562 1,567 1.784,568 2.114,569 3.593,570 -0.338,577 99.844,578 1.637,579 3.962,580 4.922,581 5.439,582 5.505,583 5.505,584 3.123,585 5.047,586 5.177,587 3.763,588 2505.89,589 9.13,590 38153.2,595 361.775,596 1.316,597 5.155,598 0.128,599 0.006,600 0.069,601 0.055,602 0.03,603 0.022,604 0.018,605 0.012,606 0.009,607 0.007,608 0.357,609 0.5,610 0.75,611 0.435,612 199.723,613 -0.053,614 -0.316,615 0.074,616 -0.114,617 -0.015,618 -0.018,619 0.018,620 0.172,621 0.01,622 0.145,623 0.028,624 0.088,625 -0.076,626 -0.003,627 0.005,628 0.027,629 -0.041,630 0.034,631 -0.054,632 -0.026,633 -0.058,634 -0.019,635 0.009,636 -0.032,637 0.097,638 0.034,639 -0.031,640 -0.033,641 0.009,642 -0.058,643 0.038,644 -0.101,645 0.109,646 -0.053,647 0.048,648 0.024,649 -0.146,650 -0.032,651 0.009,652 0.031,653 -0.076,654 0.05,655 -0.159,656 0.012,657 -0.207,658 -0.041,659 -0.175,660 -0.119,661 2.1,662 6.216,663 0.892,664 40.634,665 1.014,666 1.124,667 1.658,668 2.748,669 0.684,670 3.784,671 4.174,672 4.564,673 4.942,674 5.215,675 5.425,676 5.68,677 5.911,678 6.089,679 6.269,680 7.267,681 0.668,682 496.57,683 3.784,684 5.371,685 6.279,686 7.206,687 8.131,688 9.067,689 10,690 10.94,691 11.878,692 12.821,693 9.8,700 3,701 2,703 1,708 3,709 9,710 1,714 3,715 1,716 20,735 61,737 24,738 1,739 43,741 67,742 27,743 15,744 3,745 3,746 4,748 7,749 12,753 1,762 20,763 7,767 4,772 3,776 5,783 24,784 8,785 1,786 10,789 1,792 6,794 1,797 0.571,798 4,809 1,811 1,815 3,816 3,817 1,819 2,820 1,821 1,822 1,835 2,842 1,843 4,851 37,858 7,860 1,861 1,864 2,874 6.6,877 3,878 1,881 17.5,882 11.167,883 7.861,884 3.764,886 4.497,887 1.471,888 1.066,889 5.34,890 14.042,891 4.06,892 4.714,893 5.411,894 6.094,895 6.662,896 7.138,897 7.68,898 8.191,899 8.553,900 9.004,901 0.889,902 71,903 13.828,905 6.289,906 7.793,907 26.307,909 22.883,911 2.293,912 84.833,916 270.735,917 139.33,918 44.23,920 86.435,923 139.33,924 357.17,925 44.23,927 43.973,928 74.952,929 126.116,930 27.548,931 32.719,932 235.422,934 270.735,935 183.56,936 86.435,939 270.735,940 75.435,941 11,943 57.921,944 108.854,945 16.786,947 270.735,948 130.665,949 139.33,952 270.735,953 55.33,954 93.434,955 18.011,956 103.22,957 270.735,958 130.665,959 139.33,961 0.593,962 0.368,963 0.218,964 0.119,965 36,966 15,967 0.03,968 2,969 4,970 1.212,971 4.588,972 411.19,973 0.242,974 32,975 186.75,981 22.577,982 8.751,983 3.581,984 2.553,985 127.48,986 16.928,987 4.417,991 2.277,992 2.099,993 18.011,994 540.73,995 57,1000 39.401,1004 -0.175,1007 61.872,1008 68.564,1009 0.276,1010 0.668,1011 0.83,1012 0.917,1013 0.928,1014 0.928,1015 5.342,1016 2.002,1017 6.286,1018 6.26,1019 4.86,1020 5.403,1021 2.585,1022 7.192,1023 4.784,1024 6.57,1025 1.751,1026 7.898,1027 6.117,1028 4.511,1029 5.338,1030 1.404,1031 8.26,1032 4.418,1033 7.911,1034 1.546,1035 9.613,1036 5.244,1037 6.535,1038 7.695,1039 2.996,1040 11.452,1041 6.393,1042 9.293,1043 1.513,1044 11.391,1045 4.369,1046 7.057,1047 8.529,1048 2.615,1049 13.386,1050 6.902,1051 10.714,1052 1.438,1053 13.21,1054 3.708,1055 8.54,1056 10.362,1057 3.729,1058 16.098,1059 8.345,1060 12.162,1061 1.248,1062 15.056,1063 3.338,1064 9.447,1065 11.595,1066 3.796,1067 18.373,1068 9.241,1069 13.633,1070 1.162,1071 16.923,1072 3.076,1073 10.734,1074 13.236,1075 4.649,1076 20.936,1077 10.5,1078 3.432,1079 1,1080 18.805,1081 2.876,1082 11.808,1083 14.643,1084 4.954,1085 23.348,1086 11.563,1087 3.212,1088 12.69,1089 20.699,1090 2.493,1091 13.028,1092 16.214,1093 5.667,1094 25.868,1095 12.762,1096 2.965,1097 11.552,1098 22.603,1099 4.749,1100 14.173,1101 17.695,1102 6.094,1103 28.337,1104 13.897,1105 2.875,1106 10.016,1107 24.514,1108 4.539,1109 15.374,1110 19.242,1111 6.733,1112 30.848,1113 15.082,1114 2.392,1115 9.65,1116 26.432,1117 3.949,1118 16.55,1119 20.755,1120 7.223,1121 33.344,1122 16.249,1123 2.156,1124 7.958,1125 28.355,1126 3.29,1127 17.748,1128 22.295,1129 7.823,1130 35.857,1131 17.435,1132 2.111,1133 6.663,1134 30.283,1135 3.078,1136 18.94,1137 23.822,1138 8.345,1139 38.366,1140 18.618,1141 19180,1142 31635,1143 29.649,1144 41.705,1145 67.279,1146 69.473,1147 68.451,1148 66.535,1149 66.59,1150 86.687,1151 11.797,1152 204.067,1153 64.089,1154 5.831,1155 5.839,1156 6.997,1157 5.522,1158 5.432,1159 7.749,1160 3.033,1161 20.512,1162 5.388,1163 13.801,1164 1.565,1165 1.616,1166 1.592,1167 1.547,1168 1.549,1169 2.016,1170 0.274,1171 4.746,1172 1.49,1173 4.211,1174 4.244,1175 4.184,1176 4.116,1177 7.45,1178 4.128,1179 4.093,1180 4.138,1181 4.061,1182 3.953,1183 7.427,1184 3.975,1185 3.825,1186 3.874,1187 3.766,1188 3.646,1189 7.408,1190 3.668,1191 3.765,1192 3.791,1193 3.708,1194 3.571,1195 5.059,1196 3.596,1197 3.541,1198 3.601,1199 3.424,1200 3.366,1201 4.901,1202 3.368,1203 3.445,1204 3.499,1205 3.357,1206 3.285,1207 4.614,1208 3.295,1209 3.32,1210 3.372,1211 3.235,1212 3.155,1213 4.349,1214 3.175,1215 3.111,1216 3.206,1217 3.012,1218 2.941,1219 4.275,1220 2.91,1221 0.112,1222 0.089,1223 0.167,1224 0.103,1225 0.08,1226 4.831,1227 0.11,1228 3.839,1229 0.041,1230 7.195,1231 0.295,1232 4.418,1233 0.079,1234 3.432,1235 4.749,1236 1.745,1237 12.69,1238 3.388,1239 1.967,1240 1.948,1241 2.042,1242 2.064,1243 1.254,1244 2.052,1245 1.903,1246 1.863,1247 1.995,1248 2.033,1249 1.202,1250 2.029,1251 1.732,1252 1.68,1253 1.926,1254 1.986,1255 1.137,1256 1.969,1257 1.701,1258 1.668,1259 1.842,1260 1.867,1261 1.099,1262 1.863,1263 1.576,1264 1.516,1265 1.725,1266 1.754,1267 0.928,1268 1.746,1269 1.424,1270 1.383,1271 1.551,1272 1.649,1273 0.825,1274 1.606,1275 1.243,1276 1.206,1277 1.513,1278 1.54,1279 0.686,1280 1.499,1281 1.153,1282 1.1,1283 1.38,1284 1.376,1285 0.467,1286 1.429,1287 4.466,1289 5.838,1290 3.434,1291 7.403,1292 5.938,1293 9.058,1294 8.138,1295 10.762,1303 3.905,1305 2.49,1306 5.401,1309 3.721,1314 40.729,1315 99.844,1316 241.678,1317 300.265,1318 331.775,1319 335.775,1320 335.775,1321 65.803,1322 9.544,1323 104.94,1324 104.94,1325 40,1326 13.316,1327 4.644,1328 3.907,1329 46.7,1330 161,1331 182,1332 0.143,1333 239.632,1334 415.02,1335 576.462,1336 222184,1338 25.095,1339 0.678,1340 0.541,1341 25.095,1342 20.015,1343 18.097,1344 0.421,1345 0.287,1346 12.129,1347 17.248,1348 11.967,1349 9.73,1350 18.097,1351 12.351,1352 16.717,1353 0.261,1354 0.148,1355 16.717,1356 9.459,1357 15.351,1358 0.162,1359 0.078,1360 15.351,1361 7.38,1362 14.082,1363 0.101,1364 0.041,1365 14.082,1366 5.646,1367 11.735,1368 0.064,1369 0.022,1370 11.735,1371 3.996,1372 0.221,1373 114.441,1374 0.184,1375 33.086,1376 0.404,1377 214,1378 637.501,1379 237.509,1380 606.154,1381 839.74,1382 570,1383 266,1384 627.94,1385 291.622,1386 630.58,1387 947.05,1388 596,1389 5.1}
{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 4,238 2,246 4,249 1,250 5,255 2,258 4,264 3,269 2,272 2,276 634,277 16.215,278 16.215,279 16.215,280 16.215,281 16.215,282 14.344,283 6.822,284 9.756,285 16.506,286 12.839,287 12.839,288 12.839,289 12.839,290 12.839,291 10.007,292 4.471,293 4.518,294 13.317,295 3.904,296 1.625,297 0.78,298 0.537,299 0.537,300 0.537,301 3.888,304 1,305 1,306 1,307 419,308 2.828,311 170.596,312 59.764,315 89.897,319 1.338,320 15.978,321 1,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 49,332 189,333 4.587,334 4.046,335 6.708,336 4.141,337 3.169,338 4.516,339 2.308,340 10.904,341 3.079,342 4.226,343 3.197,344 6.498,345 3.961,346 2.991,347 3.803,349 10.176,350 2.904,351 3.822,352 3.047,353 5.787,354 3.498,355 2.526,356 3.076,358 7.9,359 2.452,360 3.452,361 2.526,362 5.228,363 3.085,364 2.119,365 2.582,367 6.277,368 2.044,369 3.369,370 2.156,371 4.594,372 2.625,373 1.661,374 2.322,376 4.488,377 1.598,378 3.048,379 1.721,380 4.13,381 2.479,382 1.548,383 2.077,385 3.65,386 1.438,387 2.878,388 1.548,389 3.907,390 2.216,391 1.255,392 1.857,394 3.132,395 1.202,396 2.5,397 1.345,398 3.404,399 2.076,400 1.09,401 1.5,403 2.231,404 1.073,405 2.395,406 1.107,407 3.312,408 1.947,409 1,410 1.287,412 2.201,413 0.945,414 2.169,415 1,416 3.28,417 1.666,418 0.73,419 1.035,421 1.733,422 0.681,423 1.922,424 0.737,425 3.122,426 1.618,427 0.618,428 0.652,430 1.372,431 0.618,432 1.735,433 0.618,434 3,435 1.389,436 0.447,437 0.618,439 1.129,440 0.42,441 1.618,442 0.443,443 2.786,444 1.273,445 0.315,446 0.42,448 0.628,449 0.301,450 0.902,451 0.204,452 2.429,453 0.402,454 -0.539,455 -0.751,457 -1.225,458 -0.505,459 0.693,460 -0.551,461 2.188,462 0.209,463 -0.743,464 -1.039,466 -1.489,467 -0.705,468 10.9,469 0.474,470 0.393,471 0.017,472 30.5,473 1.326,474 15,475 0.652,476 15.5,477 0.674,478 18.157,479 0.789,480 23.9,481 0.583,482 18.79,483 0.817,484 5.394,485 0.235,486 5.971,487 0.26,488 0.037,490 0.312,496 0.766,497 1.309,498 0.758,499 1.077,500 0.43,501 0.944,502 0.858,503 1.159,504 0.92,505 1.086,506 0.486,507 1.025,508 0.927,509 1.137,510 0.95,511 1.069,512 0.691,513 1.023,514 0.927,515 0.81,516 0.856,517 0.799,518 0.718,519 0.814,520 0.971,521 1.162,522 1.026,523 1.129,524 0.966,525 1.093,526 1.158,527 0.826,528 1.069,529 0.89,530 1.744,531 0.954,532 1.165,533 0.874,534 1.085,535 0.927,536 1.718,537 0.983,538 0.894,539 1.064,540 1.019,541 1.098,542 0.791,543 1.08,544 3,545 0.037,546 2.667,547 1.215,548 0.733,549 0.647,550 0.376,551 0.172,552 0.136,553 0.096,554 5727,555 13930,556 2.196,557 43.9,558 8,559 2,560 2,561 2,562 1,563 2,564 1,567 1.66,568 2.123,569 3.049,570 -0.284,571 1,572 1,574 1,577 59.604,578 1.454,579 3.732,580 4.577,581 4.821,582 4.821,583 4.821,584 2.392,585 3.762,586 4.498,587 3.233,588 817.862,589 7.757,590 9238.71,591 1,592 1,594 1,595 219.66,596 1.121,597 4.483,598 0.115,599 0.004,600 0.074,601 0.037,602 0.02,603 0.02,604 0.016,605 0.01,606 0.006,607 0.005,608 0.308,609 0.33,610 1,611 0.787,612 106.314,613 0.081,614 -0.125,615 0.074,616 -0.046,617 0.165,618 0.003,619 0.035,620 -0.064,621 -0.03,622 -0.078,623 0.037,624 -0.066,625 -0.043,626 -0.179,627 0.016,628 -0.073,629 0.018,630 -0.029,631 0.102,632 0.166,633 0.135,634 0.167,635 0.055,636 0.157,637 -0.037,638 -0.184,639 -0.064,640 -0.146,641 0.006,642 -0.115,643 0.014,644 0.129,645 -0.044,646 0.033,647 -0.207,648 -0.006,649 -0.215,650 0.088,651 -0.107,652 0.053,653 -0.279,655 -0.033,656 -0.032,657 -0.1,658 -0.089,659 0.035,660 -0.101,661 1.167,662 3.18,663 0.826,664 17.149,665 0.998,666 1.134,667 2.291,668 5.25,669 0.673,670 3.296,671 3.611,672 3.951,673 4.263,674 4.357,675 4.489,676 4.625,677 4.71,678 4.71,679 4.787,680 5.368,681 0.641,682 306.41,683 3.296,684 4.828,685 5.7,686 6.589,687 7.478,688 8.373,689 9.267,690 10.164,691 11.061,692 11.959,693 14.6,701 2,702 1,703 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 6,797 0.75,807 1,810 1,811 1,815 3,816 1,819 1,825 1,843 3,851 23,858 5,863 2,866 1,870 1,872 1,881 10.833,882 7.333,883 5.139,884 2.704,886 3.068,887 1.427,888 1.004,889 3.749,890 10.256,891 3.597,892 4.167,893 4.804,894 5.449,895 5.872,896 6.293,897 6.75,898 7.161,899 7.331,900 7.705,901 1,902 33,903 8.479,905 3.648,906 7.623,907 16.561,909 14.166,911 2.123,912 48.833,915 1,916 200.109,917 84.742,918 99.856,923 84.742,924 200.109,925 99.856,927 12.673,928 27.571,929 92.093,930 75.803,931 23.542,932 153.024,934 200.109,935 184.598,939 188.338,940 11.771,943 84.432,944 49.931,945 50.234,947 200.109,948 99.856,949 84.742,952 200.109,953 22.903,954 47.014,955 33.387,956 81.293,957 200.109,958 99.856,959 84.742,961 0.568,962 0.35,963 0.21,964 0.101,965 19,966 7,967 0.091,968 4,969 1,970 1.105,971 3.584,972 191.674,973 0.105,974 19,975 100.042,981 14.267,982 6.043,983 2.59,984 1.817,985 81.293,986 9.272,987 13.183,988 3.103,991 1.85,992 1.967,993 16.786,994 384.706,995 35.5,1007 40.912,1008 46.481,1009 0.271,1010 0.697,1011 0.854,1012 0.9,1013 0.9,1014 0.9,1015 4.834,1016 1.09,1017 5.666,1018 3.132,1019 4.29,1020 4.852,1021 2.456,1022 6.503,1023 4.221,1024 6.03,1025 1,1026 7.231,1027 2.231,1028 3.761,1029 4.543,1031 7.455,1032 3.677,1033 7.332,1034 0.73,1035 8.903,1036 2.201,1037 5.889,1038 7.063,1039 4.057,1040 10.603,1041 5.76,1042 8.675,1043 0.618,1044 10.642,1045 1.733,1046 6.312,1047 7.752,1049 12.43,1050 6.168,1051 10.056,1052 0.447,1053 12.425,1054 1.372,1055 7.808,1056 9.634,1057 5.715,1058 15.058,1059 7.624,1060 11.462,1061 0.315,1062 14.236,1063 1.129,1064 8.636,1065 10.767,1067 17.205,1068 8.432,1069 12.888,1070 -0.539,1071 16.067,1072 0.628,1073 9.902,1074 12.41,1075 7.386,1076 19.668,1077 9.663,1078 3.169,1079 -0.743,1080 17.911,1081 -1.225,1082 10.903,1083 13.744,1085 21.942,1086 10.64,1087 2.991,1088 10.904,1089 19.764,1090 -1.489,1091 12.082,1092 15.294,1093 9.058,1094 24.345,1095 11.787,1096 2.526,1097 10.176,1098 21.625,1099 4.516,1100 13.157,1101 16.718,1103 26.673,1104 12.836,1105 2.119,1106 7.9,1107 23.491,1108 3.803,1109 14.306,1110 18.234,1111 10.731,1112 29.055,1113 13.954,1114 1.661,1115 6.277,1116 25.362,1117 3.076,1118 15.414,1119 19.698,1121 31.406,1122 15.034,1123 1.548,1124 4.488,1125 27.237,1126 2.582,1127 16.552,1128 21.202,1129 12.404,1130 33.782,1131 16.143,1132 1.255,1133 3.65,1134 29.114,1135 2.322,1136 17.675,1137 22.686,1139 36.144,1140 17.238,1141 5381,1142 8528,1143 18.087,1144 27.603,1145 39.944,1146 41.503,1147 39.513,1148 38.945,1149 38.937,1150 51.489,1151 4.616,1152 111.644,1153 37.51,1154 5.535,1155 6.046,1156 6.468,1157 5.219,1158 5.169,1159 7.516,1160 4.616,1161 18.123,1162 5.04,1163 6.146,1164 1.536,1165 1.596,1166 1.52,1167 1.498,1168 1.498,1169 1.98,1170 0.178,1171 4.294,1172 1.443,1173 4.127,1174 4.174,1175 4.094,1176 3.992,1177 6.818,1178 4.012,1179 3.958,1180 4.016,1181 3.884,1182 3.825,1183 5.142,1184 3.825,1185 3.765,1186 3.828,1187 3.661,1188 3.603,1189 4.892,1190 3.616,1191 3.473,1192 3.534,1193 3.382,1194 3.327,1195 4.472,1196 3.33,1197 3.275,1198 3.356,1199 3.202,1200 3.035,1201 4.253,1202 3.067,1203 2.972,1204 3.048,1205 2.871,1206 2.787,1207 3.92,1208 2.795,1209 2.869,1210 2.979,1211 2.675,1212 2.671,1213 3.676,1214 2.635,1215 2.775,1216 2.857,1217 2.583,1218 2.544,1219 3.345,1220 2.571,1221 0.176,1222 0.156,1223 0.258,1224 0.159,1225 0.122,1226 4.587,1227 0.174,1228 4.046,1229 0.089,1230 6.708,1231 0.419,1232 4.141,1233 0.118,1234 3.169,1235 4.516,1236 2.308,1237 10.904,1238 3.079,1239 1.858,1240 1.826,1241 1.968,1242 2.003,1243 1.375,1244 1.982,1245 1.778,1246 1.726,1247 1.888,1248 1.952,1249 1.211,1250 1.943,1251 1.577,1252 1.507,1253 1.86,1254 1.751,1255 1.022,1256 1.793,1257 1.473,1258 1.402,1259 1.64,1260 1.708,1261 0.853,1262 1.697,1263 1.367,1264 1.305,1265 1.608,1266 1.568,1267 0.604,1268 1.585,1269 1.315,1270 1.271,1271 1.459,1272 1.456,1273 0.55,1274 1.453,1275 1.145,1276 1.058,1277 1.287,1278 1.442,1279 0.259,1280 1.414,1281 0.868,1282 0.789,1283 1.089,1284 1.123,1285 0.094,1286 1.12,1287 3.97,1289 5.283,1290 3.434,1291 6.788,1292 5.638,1293 8.389,1294 7.609,1295 10.043,1303 5.413,1308 0.722,1312 9.18,1313 2.326,1314 26.289,1315 59.604,1316 153.03,1317 187.66,1318 197.66,1319 197.66,1320 197.66,1321 30.916,1322 7.188,1323 83.18,1324 83.18,1325 21,1326 12.483,1327 4.087,1328 3.392,1329 31.766,1330 76,1331 62,1332 0.213,1333 161.613,1334 265.4,1335 386.096,1336 11900,1338 15.648,1339 0.68,1340 0.557,1341 15.648,1342 12.813,1343 11.365,1344 0.437,1345 0.31,1346 7.965,1347 10.956,1348 7.841,1349 6.475,1350 11.365,1351 8.061,1352 9.78,1353 0.272,1354 0.171,1355 9.78,1356 6.145,1357 8.732,1358 0.171,1359 0.094,1360 8.732,1361 4.813,1362 7.808,1363 0.112,1364 0.052,1365 7.808,1366 3.656,1367 5.501,1368 0.071,1369 0.026,1370 5.501,1371 1.983,1372 0.326,1373 70.932,1374 0.235,1375 22.279,1376 0.606,1377 124,1378 324.558,1379 134.102,1380 323.385,1381 451.16,1382 304,1383 149,1384 343.124,1385 160.435,1386 347.666,1387 506.56,1388 328,1389 5}
{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 12,237 1,238 8,241 2,243 3,246 8,249 2,250 8,253 1,255 4,258 7,263 3,264 5,269 2,272 2,276 3800,277 27.101,278 27.101,279 27.101,280 27.101,281 27.101,282 23.885,283 36.005,284 16.333,285 27.862,286 21.167,287 21.167,288 21.167,289 21.167,290 21.167,291 16.155,292 48.297,293 7.659,294 22.361,295 4.469,296 2.092,297 0.815,298 0.41,299 0.41,300 0.41,301 4.412,302 1,306 1,307 1326,308 4.583,312 520.413,316 202.84,319 2.538,320 40.681,323 0.75,324 0.5,325 0.67,326 0.7,327 0.5,328 0.67,329 0.5,330 0.61,331 86.333,332 630,333 4.64,334 4.073,335 6.741,336 4.181,337 3.204,338 4.576,339 2.035,340 11.049,341 3.129,342 4.25,343 3.496,344 6.168,345 3.816,346 2.883,347 3.896,348 1.151,349 9.17,350 2.703,351 4.14,352 3.298,353 6.069,354 3.727,355 2.778,356 3.663,357 1.058,358 8.761,359 2.599,360 3.892,361 3.22,362 5.639,363 3.468,364 2.509,365 3.442,366 0.916,367 7.373,368 2.404,369 3.79,370 2.953,371 5.344,372 3.363,373 2.374,374 3.134,375 0.86,376 6.969,377 2.345,378 3.629,379 2.787,380 5.227,381 3.179,382 2.239,383 2.897,384 0.4,385 6.516,386 2.107,387 3.553,388 2.644,389 5.063,390 3.114,391 2.168,392 2.842,393 0.172,394 6.092,395 2.037,396 3.309,397 2.445,398 4.806,399 3.064,400 2.106,401 2.605,403 5.27,404 1.986,405 3.217,406 2.227,407 4.641,408 2.779,409 1.815,410 2.238,412 5.093,413 1.744,414 3.004,415 2.123,416 4.281,417 2.503,418 1.564,419 2.107,421 3.896,422 1.473,423 2.939,424 2.053,425 4.184,426 2.36,427 1.439,428 1.962,430 3.72,431 1.314,432 2.83,433 1.723,434 3.636,435 2.339,436 1.414,437 1.766,439 3.122,440 1.232,441 2.712,442 1.594,443 3.567,444 2.003,445 1.024,446 1.5,448 2.197,449 0.997,450 2.525,451 1.509,452 3.247,453 1.959,454 1,455 1.357,457 2.136,458 0.956,459 2.5,460 1.244,461 3.208,462 1.916,463 0.972,464 1.258,466 1.951,467 0.909,468 19.114,469 0.478,470 0.886,471 0.022,472 56,473 1.4,474 30,475 0.75,476 26,477 0.65,478 34.223,479 0.856,480 42.086,481 0.61,482 49.468,483 1.237,484 11.336,485 0.283,486 8.035,487 0.201,488 0.154,490 0.309,496 0.812,497 1.347,498 0.661,499 1.053,500 0.589,501 0.927,502 1.113,503 1.073,504 0.756,505 0.854,506 0.61,507 0.818,508 1.153,509 1.14,510 0.956,511 1.028,512 0.886,513 0.994,514 0.955,515 0.926,516 0.848,517 0.911,518 0.862,519 0.891,520 0.94,521 0.913,522 1.058,523 0.981,524 1.136,525 0.952,526 0.996,527 1.081,528 0.816,529 0.923,530 1.059,531 0.889,532 1.393,533 1.024,534 1.151,535 0.945,536 1.792,537 0.987,538 1.184,539 1.015,540 1.235,541 1.086,542 1.258,543 1.026,544 8,545 0.355,546 4,547 2.125,548 2.533,549 1.528,550 1.093,551 0.887,552 0.639,553 0.338,554 26029,555 75280,556 2.036,557 42,559 22,561 2,562 2,564 3,567 1.803,568 1.905,569 3.876,570 0.149,577 113.135,578 1.64,579 4.016,580 5.293,581 5.699,582 5.699,583 5.699,584 3.383,585 5.072,586 5.283,587 4.088,588 3188.76,589 9.348,590 56274.5,595 421.488,596 1.406,597 5.251,598 0.186,599 0.008,600 0.069,601 0.034,602 0.042,603 0.024,604 0.016,605 0.014,606 0.011,607 0.007,608 0.412,609 0.33,610 0.75,611 1.572,612 227.222,613 -0.049,614 -0.194,615 0.03,616 -0.081,617 -0.03,618 -0.017,619 -0.093,620 0.013,621 0.062,622 0.098,623 0.032,624 0.103,625 -0.029,626 -0.095,627 -0.031,628 -0.061,629 -0.027,630 -0.061,631 0.037,632 0.065,633 0.1,634 0.071,635 0.032,636 0.091,637 0.086,638 0.09,639 -0.032,640 0.024,641 -0.013,642 0.024,643 -0.027,644 -0.049,645 0.1,646 0.051,647 0.007,648 0.071,649 -0.166,650 0.017,651 -0.08,652 0.026,653 -0.18,654 -0.058,655 -0.001,656 -0.04,657 -0.028,658 -0.072,659 0.026,660 -0.049,661 1.964,662 5.613,663 0.55,664 59.85,665 1.008,666 1.124,667 1.264,668 1.598,669 0.687,670 3.784,671 4.078,672 4.317,673 4.575,674 4.852,675 4.977,676 5.13,677 5.313,678 5.447,679 5.485,680 8.962,681 0.658,682 557.1,683 3.784,684 5.313,685 6.146,686 7.013,687 7.871,688 8.749,689 9.621,690 10.505,691 11.386,692 12.276,693 8.7,696 1,700 1,701 1,702 1,703 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 6,797 0.75,798 3,809 2,816 4,820 1,829 1,834 2,839 1,843 3,847 3,848 1,851 40,858 3,860 2,861 2,864 1,866 1,870 1,872 1,873 1,874 4.3,877 1,879 2,881 21,882 13.443,883 9.056,884 4,886 4.651,887 1.551,888 0.969,889 10.068,890 13.085,891 4.086,892 4.659,893 5.242,894 5.83,895 6.444,896 6.803,897 7.251,898 7.731,899 8.173,900 8.415,901 0.909,902 62,903 14.727,905 6.097,906 7.811,907 27.684,909 21.684,911 2.311,912 92.444,916 317.82,917 203.989,918 103.776,919 39.149,920 47.145,923 203.989,924 404.113,925 103.776,926 25.618,927 29.301,928 94.762,929 103.565,930 125.206,932 294.278,933 39.149,934 317.82,935 307.766,936 47.145,937 39.149,939 282.506,940 82.458,943 113.317,944 141.925,945 91.672,947 317.82,948 150.921,949 243.138,952 317.82,953 48.912,954 141.6,955 52.623,956 150.924,957 317.82,958 150.921,959 243.138,961 0.567,962 0.321,963 0.174,964 0.101,965 24,966 12,967 0.153,968 11,969 1,970 1.091,971 4.906,972 386.957,973 0.091,974 22,975 208.877,981 29.007,982 13.884,983 7.791,984 1.217,985 150.921,986 17.568,987 8.696,991 4.116,993 36.022,994 711.879,995 58.5,1000 12.613,1002 3.245,1004 -0.297,1007 69.52,1008 77.544,1009 0.268,1010 0.657,1011 0.867,1012 0.933,1013 0.933,1014 0.933,1015 5.312,1016 2.106,1017 6.116,1018 6.092,1019 4.762,1020 5.347,1021 2.861,1022 6.897,1023 4.66,1024 6.52,1025 1.815,1026 7.654,1027 5.27,1028 4.29,1029 5.121,1030 0.325,1031 7.743,1032 4.141,1033 7.82,1034 1.564,1035 9.291,1036 5.093,1037 6.323,1038 7.555,1039 3.77,1040 10.836,1041 6.14,1042 9.155,1043 1.439,1044 10.989,1045 3.896,1046 6.661,1047 8.168,1048 0.393,1049 12.525,1050 6.432,1051 10.52,1052 1.414,1053 12.725,1054 3.72,1055 8.154,1056 10.068,1057 5.023,1058 15.143,1059 7.899,1060 11.909,1061 1.024,1062 14.489,1063 3.122,1064 8.885,1065 11.102,1066 0.384,1067 17.206,1068 8.59,1069 13.317,1070 1,1071 16.274,1072 2.197,1073 10.155,1074 12.772,1075 6.395,1076 19.662,1077 9.836,1078 3.204,1079 0.972,1080 18.076,1081 2.136,1082 11.087,1083 14.032,1084 0.351,1085 21.898,1086 10.735,1087 2.883,1088 11.049,1089 19.891,1090 1.951,1091 12.265,1092 15.601,1093 7.802,1094 24.3,1095 11.891,1096 2.778,1097 9.17,1098 21.717,1099 4.576,1100 13.299,1101 16.981,1102 0.312,1103 26.618,1104 12.899,1105 2.509,1106 8.761,1107 23.552,1108 3.896,1109 14.443,1110 18.508,1111 9.219,1112 29.006,1113 14.022,1114 2.374,1115 7.373,1116 25.396,1117 3.663,1118 15.529,1119 19.951,1120 0.273,1121 31.362,1122 15.087,1123 2.239,1124 6.969,1125 27.247,1126 3.442,1127 16.664,1128 21.464,1129 10.639,1130 33.749,1131 16.203,1132 2.168,1133 6.516,1134 29.103,1135 3.134,1136 17.778,1137 22.94,1138 0.236,1139 36.124,1140 17.297,1141 25305,1142 43287,1143 28.433,1144 47.392,1145 64.58,1146 67.325,1147 65.003,1148 62.683,1149 62.595,1150 83.308,1151 13.185,1152 174.359,1153 59.164,1154 5.473,1155 6.073,1156 6.543,1157 5.248,1158 5.204,1159 7.576,1160 4.069,1161 18.277,1162 5.129,1163 21.907,1164 1.502,1165 1.566,1166 1.512,1167 1.458,1168 1.456,1169 1.937,1170 0.307,1171 4.055,1172 1.376,1173 4.107,1174 4.132,1175 4.095,1176 4.025,1177 7.43,1178 4.036,1179 3.92,1180 3.945,1181 3.986,1182 3.835,1183 6.82,1184 3.837,1185 3.839,1186 3.874,1187 3.799,1188 3.747,1189 5.035,1190 3.749,1191 3.752,1192 3.809,1193 3.675,1194 3.594,1195 4.96,1196 3.604,1197 3.61,1198 3.655,1199 3.546,1200 3.461,1201 4.872,1202 3.475,1203 3.479,1204 3.546,1205 3.349,1206 3.25,1207 4.609,1208 3.25,1209 3.388,1210 3.448,1211 3.326,1212 3.205,1213 4.422,1214 3.209,1215 3.247,1216 3.291,1217 3.244,1218 3.05,1219 4.416,1220 3.062,1221 0.108,1222 0.095,1223 0.157,1224 0.097,1225 0.075,1226 4.64,1227 0.106,1228 4.073,1229 0.047,1230 6.741,1231 0.257,1232 4.181,1233 0.073,1234 3.204,1235 4.576,1236 2.035,1237 11.049,1238 3.129,1239 2.044,1240 2.024,1241 2.09,1242 2.14,1243 1.241,1244 2.127,1245 1.875,1246 1.855,1247 1.973,1248 1.996,1249 1.067,1250 1.992,1251 1.818,1252 1.783,1253 1.919,1254 1.928,1255 1.046,1256 1.93,1257 1.702,1258 1.652,1259 1.902,1260 1.901,1261 1.001,1262 1.907,1263 1.553,1264 1.516,1265 1.799,1266 1.76,1267 0.936,1268 1.765,1269 1.438,1270 1.363,1271 1.673,1272 1.69,1273 0.709,1274 1.689,1275 1.371,1276 1.305,1277 1.558,1278 1.544,1279 0.638,1280 1.556,1281 1.193,1282 1.147,1283 1.448,1284 1.431,1285 0.601,1286 1.433,1287 4.466,1289 5.765,1291 7.258,1293 8.848,1295 10.495,1297 5.7,1298 6.517,1303 1.309,1305 6.183,1306 11.605,1309 1.948,1312 9.839,1313 2.187,1314 45.422,1315 113.135,1316 277.11,1317 365.224,1318 393.224,1319 393.224,1320 393.224,1321 86.834,1322 8.434,1323 112.4,1324 112.4,1325 24,1326 12.807,1327 4.755,1328 4.044,1329 73.126,1330 206,1331 248,1332 0.166,1333 286.144,1334 502.5,1335 689.95,1336 62043,1337 1.4,1338 28.485,1339 0.712,1340 0.58,1341 28.985,1342 23.197,1343 19.372,1344 0.451,1345 0.302,1346 12.423,1347 18.312,1348 12.009,1349 10.045,1350 19.66,1351 12.966,1352 17.013,1353 0.293,1354 0.162,1355 17.384,1356 9.398,1357 13.615,1358 0.184,1359 0.081,1360 13.969,1361 5.986,1362 11.259,1363 0.117,1364 0.042,1365 11.592,1366 4.067,1367 9.3,1368 0.073,1369 0.021,1370 9.503,1371 2.713,1372 0.264,1373 124.66,1374 0.188,1375 36.24,1376 0.444,1377 202,1378 636.656,1379 236.478,1380 646.965,1381 867.74,1382 604,1383 233,1384 606.662,1385 264.931,1386 627.993,1387 909.28,1388 587,1389 7.237}
{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 7,238 5,240 2,241 2,243 4,246 4,248 3,250 7,255 2,258 4,260 1,267 1,269 2,272 1,274 2,276 1486,277 20.068,278 20.068,279 20.068,280 20.068,281 20.068,282 17.901,283 23.489,284 11.629,285 20.687,286 16.228,287 16.228,288 16.228,289 16.228,290 16.228,291 13.008,292 28.517,293 5.49,294 17.389,295 3.922,296 1.637,297 0.683,298 0.515,299 0.515,300 0.515,301 4.132,302 2,305 1,306 1,307 762,308 3,311 82.892,312 310.356,319 1.916,320 36.219,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 65.667,332 353,333 4.492,334 3.623,335 6.78,336 4.095,337 3.167,338 4.165,339 1.151,340 10.939,341 2.952,342 4.382,343 3.179,344 6.323,345 3.994,346 3.027,347 4.065,348 0.4,349 9.687,350 2.88,351 4.13,352 3.043,353 6.112,354 3.767,355 2.822,356 3.69,358 8.943,359 2.668,360 3.736,361 2.892,362 5.875,363 3.479,364 2.518,365 3.005,367 8.103,368 2.407,369 3.581,370 2.654,371 5.572,372 3.2,373 2.29,374 2.894,376 6.876,377 2.059,378 3.222,379 2.472,380 4.891,381 2.845,382 1.948,383 2.416,385 5.281,386 1.798,387 3.117,388 2.103,389 4.634,390 2.796,391 1.869,392 2.251,394 4.921,395 1.589,396 2.889,397 2.021,398 4.349,399 2.425,400 1.518,401 2.029,403 4.026,404 1.354,405 2.657,406 1.627,407 4.116,408 2.364,409 1.414,410 1.69,412 3.494,413 1.34,414 2.538,415 1.564,416 4.032,417 2.151,418 1.24,419 1.546,421 3.212,422 1.09,423 2.225,424 1.077,425 3.466,426 1.984,427 1,428 1.145,430 2.429,431 0.983,432 2.076,433 1,434 3.263,435 1.902,436 0.934,437 1,439 2.136,440 0.902,441 2,442 0.881,443 3.247,444 1.598,445 0.666,446 0.949,448 1.634,449 0.619,450 1.459,451 0.775,452 3.046,453 1.08,454 0.219,455 0.257,457 0.504,458 0.165,459 1.427,460 0.676,461 2.718,462 0.986,463 0.188,464 0.224,466 0.427,467 0.141,468 14.548,469 0.485,470 0.822,471 0.027,472 36.75,473 1.225,474 17,475 0.567,476 19.75,477 0.658,478 28.716,479 0.957,480 32.852,481 0.632,482 28.006,483 0.934,484 7.035,485 0.234,486 7.401,487 0.247,488 0.18,490 0.371,494 1,496 0.701,497 1.135,498 0.571,499 0.917,500 0.649,501 0.868,502 0.853,503 1.106,504 0.64,505 0.903,506 0.585,507 0.877,508 1.005,509 0.976,510 0.807,511 0.867,512 0.766,513 0.881,514 0.945,515 0.998,516 0.985,517 1.072,518 0.813,519 1.043,520 0.921,521 0.856,522 1.083,523 1.014,524 0.836,525 1.005,526 0.936,527 1.017,528 0.727,529 0.859,530 1.02,531 0.946,532 0.555,533 1.045,534 0.845,535 1.106,536 0.625,537 1.05,538 0.977,539 0.996,540 1.025,541 1.007,542 0.917,543 1.025,544 6,545 0.18,546 4.222,547 2.25,548 1.829,549 1.039,550 0.652,551 0.438,552 0.396,553 0.221,554 12062,555 37175,556 2.067,557 42.3,559 9,560 1,561 2,562 3,564 3,565 4,567 1.728,568 1.915,569 3.52,570 0.933,572 1,577 92.467,578 1.778,579 4.063,580 5.018,581 5.186,582 5.186,583 5.186,584 2.94,585 4.707,586 4.88,587 3.698,588 1608.53,589 8.51,590 22407.8,592 1,595 296.423,596 1.475,597 4.828,598 0.182,599 0.007,600 0.09,601 0.046,602 0.041,603 0.026,604 0.017,605 0.011,606 0.012,607 0.008,608 0.44,609 0.17,610 1,611 0.594,612 154.477,613 -0.04,614 -0.029,615 0.011,616 0.004,617 -0.063,618 0.028,619 -0.065,620 -0.082,621 0.05,622 0.021,623 0.049,624 0.044,625 0.001,626 -0.002,627 0.076,628 0.088,629 0.091,630 0.07,631 0.03,632 -0.094,633 0.057,634 -0.084,635 -0.004,636 -0.068,637 0.062,638 0.078,639 -0.087,640 -0.045,641 0.073,642 -0.029,643 -0.048,644 -0.008,645 0.019,646 0.079,647 -0.097,648 0.015,649 0.159,650 -0.124,651 0.086,652 -0.128,653 0.121,654 -0.058,655 -0.027,656 -0.018,657 -0.059,658 -0.047,659 0.044,660 -0.054,661 2.225,662 5.882,663 0.767,664 28.804,665 1.016,666 1.136,667 3.666,668 13.438,669 0.688,670 3.526,671 3.871,672 4.159,673 4.394,674 4.575,675 4.615,676 4.71,677 4.804,678 4.927,679 5.011,680 7.009,681 0.656,682 450.38,683 3.526,684 5.081,685 5.943,686 6.825,687 7.7,688 8.585,689 9.465,690 10.35,691 11.232,692 12.119,693 9.6,695 1,697 1,701 1,703 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 5,797 1,798 1,807 1,809 1,815 1,816 3,838 1,843 4,847 1,848 2,849 1,851 30,852 1,858 4,860 1,861 1,863 2,873 3,874 1.9,879 1,881 15.667,882 9.445,883 6.528,884 3.151,886 3.154,887 1.409,888 0.991,889 6.487,890 10.871,891 3.75,892 4.36,893 4.934,894 5.467,895 5.916,896 6.163,897 6.458,898 6.804,899 7.172,900 7.457,901 0.875,902 49,903 11.117,905 4.833,906 7.841,907 21.013,909 17.484,911 2.341,912 70.222,915 1,916 223.651,917 106.927,918 86.133,919 78.297,920 11,921 14.96,923 106.927,924 312.948,925 101.093,926 8.825,927 9.28,928 88.384,929 56.991,930 61.794,931 29.059,932 188.338,933 78.297,934 223.651,935 193.06,936 25.96,937 78.297,939 156.213,940 93.398,943 55.988,944 103.624,945 111.746,947 238.611,948 97.133,949 185.224,952 223.651,953 42.531,954 66.173,955 18.011,956 170.603,957 223.651,958 112.093,959 185.224,961 0.591,962 0.355,963 0.186,964 0.097,965 23,966 11,967 0.091,968 5,970 1,971 4.095,972 269.596,974 23,975 143.207,981 21.378,982 9.103,983 4.597,985 110.316,986 9.963,987 8.774,991 2.383,992 2.002,993 50.908,994 520.968,995 41.5,1007 52.832,1008 59.081,1009 0.312,1010 0.713,1011 0.88,1012 0.91,1013 0.91,1014 0.91,1015 5.006,1016 1.518,1017 5.943,1018 4.921,1019 4.554,1020 5.047,1021 1.378,1022 6.772,1023 4.416,1024 6.215,1025 1.414,1026 7.521,1027 4.026,1028 4.205,1029 4.902,1031 7.711,1032 3.965,1033 7.529,1034 1.24,1035 9.2,1036 3.494,1037 6.172,1038 7.234,1039 1.517,1040 10.815,1041 5.925,1042 8.879,1043 1,1044 10.935,1045 3.212,1046 6.635,1047 7.908,1049 12.566,1050 6.288,1051 10.262,1052 0.934,1053 12.707,1054 2.429,1055 8.079,1056 9.719,1057 1.732,1058 15.186,1059 7.721,1060 11.666,1061 0.666,1062 14.503,1063 2.136,1064 8.901,1065 10.762,1067 17.27,1068 8.451,1069 13.086,1070 0.219,1071 16.317,1072 1.634,1073 10.146,1074 12.359,1075 1.968,1076 19.721,1077 9.669,1078 3.167,1079 0.188,1080 18.144,1081 0.504,1082 11.131,1083 13.581,1085 21.955,1086 10.571,1087 3.027,1088 10.939,1089 19.981,1090 0.427,1091 12.298,1092 15.081,1093 2.214,1094 24.345,1095 11.697,1096 2.822,1097 9.687,1098 21.827,1099 4.165,1100 13.358,1101 16.392,1103 26.648,1104 12.681,1105 2.518,1106 8.943,1107 23.679,1108 4.065,1109 14.496,1110 17.846,1111 2.468,1112 29.02,1113 13.767,1114 2.29,1115 8.103,1116 25.537,1117 3.69,1118 15.591,1119 19.203,1121 31.358,1122 14.791,1123 1.948,1124 6.876,1125 27.4,1126 3.005,1127 16.72,1128 20.635,1129 2.727,1130 33.727,1131 15.862,1132 1.869,1133 5.281,1134 29.267,1135 2.894,1136 17.833,1137 22.017,1139 36.084,1140 16.905,1141 11474,1142 20405,1143 21.789,1144 35.75,1145 50.135,1146 51.399,1147 51.655,1148 49.79,1149 49.642,1150 62.656,1151 3.102,1152 145.223,1153 45.89,1154 5.492,1155 5.623,1156 6.582,1157 5.171,1158 5.167,1159 7.165,1160 2.302,1161 18.081,1162 4.952,1163 15.841,1164 1.519,1165 1.558,1166 1.565,1167 1.509,1168 1.504,1169 1.899,1170 0.094,1171 4.401,1172 1.391,1173 4.05,1174 4.098,1175 4.126,1176 3.928,1177 8.201,1178 3.938,1179 3.938,1180 3.957,1181 3.987,1182 3.861,1183 5.192,1184 3.864,1185 3.827,1186 3.875,1187 3.763,1188 3.681,1189 4.961,1190 3.689,1191 3.634,1192 3.702,1193 3.592,1194 3.445,1195 4.932,1196 3.463,1197 3.395,1198 3.458,1199 3.538,1200 3.223,1201 4.616,1202 3.218,1203 3.111,1204 3.206,1205 3.258,1206 2.941,1207 4.59,1208 2.91,1209 3.057,1210 3.157,1211 3.11,1212 2.847,1213 4.375,1214 2.83,1215 2.939,1216 3.019,1217 2.927,1218 2.811,1219 4.324,1220 2.829,1221 0.136,1222 0.11,1223 0.205,1224 0.124,1225 0.096,1226 4.492,1227 0.126,1228 3.623,1229 0.035,1230 6.78,1231 0.331,1232 4.095,1233 0.089,1234 3.167,1235 4.165,1236 1.151,1237 10.939,1238 2.952,1239 1.91,1240 1.897,1241 2.039,1242 2.04,1243 1.392,1244 2.043,1245 1.856,1246 1.825,1247 1.967,1248 2.012,1249 1.171,1250 2.004,1251 1.815,1252 1.758,1253 1.903,1254 1.934,1255 1.02,1256 1.932,1257 1.424,1258 1.38,1259 1.675,1260 1.62,1261 0.825,1262 1.637,1263 1.333,1264 1.272,1265 1.513,1266 1.594,1267 0.787,1268 1.566,1269 1.236,1270 1.142,1271 1.505,1272 1.503,1273 0.639,1274 1.494,1275 1.153,1276 1.064,1277 1.416,1278 1.376,1279 0.494,1280 1.429,1281 0.85,1282 0.811,1283 1.17,1284 1.191,1285 0.185,1286 1.198,1287 4.205,1289 5.541,1290 2.398,1291 7.071,1292 4.595,1293 8.686,1294 6.605,1295 10.345,1297 1.73,1298 12.314,1299 13.882,1301 6.018,1303 4.068,1305 3.356,1306 5.975,1308 -0.243,1314 34.128,1315 92.467,1316 211.298,1317 260.913,1318 269.668,1319 269.668,1320 269.668,1321 62.812,1322 7.717,1323 77.99,1324 77.99,1325 23,1326 12.651,1327 4.17,1328 3.248,1329 47.079,1330 126,1331 128,1332 0.181,1333 215.049,1334 368.88,1335 516.478,1336 25301,1337 5.8,1338 21.25,1339 0.708,1340 0.597,1341 21.38,1342 17.92,1343 14.436,1344 0.437,1345 0.318,1346 9.662,1347 13.292,1348 9.412,1349 7.725,1350 14.602,1351 10.501,1352 13.223,1353 0.281,1354 0.172,1355 13.459,1356 8.1,1357 11.471,1358 0.182,1359 0.095,1360 11.538,1361 6.003,1362 9.315,1363 0.116,1364 0.054,1365 10.096,1366 4.308,1367 7.149,1368 0.074,1369 0.027,1370 7.001,1371 2.566,1372 0.285,1373 96.919,1374 0.214,1375 28.367,1376 0.491,1377 160,1378 520.834,1379 207.403,1380 537.371,1381 710.32,1382 500,1383 190,1384 479.673,1385 233.7,1386 495.485,1387 729.49,1388 467,1389 5.5}
{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 8,238 3,243 4,246 11,250 3,254 1,255 3,258 12,264 2,267 1,269 2,272 10,276 1156,277 18.809,278 18.809,279 18.809,280 18.809,281 18.809,282 16.321,283 22.487,284 10.973,285 18.934,286 15.303,287 15.303,288 15.303,289 15.303,290 15.303,291 11.48,292 31.302,293 5.213,294 15.475,295 4.144,296 2.3,297 1.336,298 0.577,299 0.235,300 0.235,301 4.07,304 1,305 1,306 1,307 720,308 3.082,311 65.181,312 273.033,315 122.249,319 2,320 22.768,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 59.5,332 329,333 4.553,334 3.65,335 6.795,336 4.206,337 3.207,338 4.243,339 1.656,340 11.18,341 3.201,342 4.238,343 3.569,344 6.159,345 3.869,346 2.884,347 3.843,348 1.081,349 9.041,350 2.841,351 4.065,352 3.076,353 5.936,354 3.674,355 2.692,356 3.66,357 0.473,358 8.25,359 2.641,360 3.838,361 2.842,362 5.573,363 3.505,364 2.51,365 3.196,366 0.247,367 7.63,368 2.492,369 3.57,370 2.727,371 5.047,372 3.203,373 2.209,374 2.815,376 6.003,377 2.181,378 3.214,379 2.224,380 4.94,381 2.818,382 1.824,383 2.442,385 5.327,386 1.806,387 3.134,388 2.138,389 4.594,390 2.707,391 1.697,392 2.325,394 4.782,395 1.705,396 2.92,397 1.729,398 4.183,399 2.533,400 1.544,401 2.078,403 3.703,404 1.525,405 2.816,406 1.655,407 4.102,408 2.392,409 1.395,410 1.936,412 3.592,413 1.388,414 2.66,415 1.37,416 4.009,417 2.187,418 1.19,419 1.729,421 3.202,422 1.184,423 2.641,424 1.24,425 3.479,426 2.168,427 1.171,428 1.651,430 2.586,431 1.164,432 1.964,433 1.09,434 3.316,435 1.726,436 0.749,437 0.877,439 1.781,440 0.729,441 1.517,442 0.717,443 3.014,444 1.218,445 0.249,446 0.299,448 0.63,449 0.24,450 1.186,451 0.442,452 2.642,453 0.806,454 -0.181,455 -0.229,457 -0.457,458 -0.177,459 0.988,460 0.316,461 2.426,462 0.596,463 -0.419,464 -0.528,466 -0.998,467 -0.42,468 13.367,469 0.477,470 0.75,471 0.027,472 39.5,473 1.411,474 22,475 0.786,476 17.5,477 0.625,478 20.505,479 0.732,480 28.633,481 0.584,482 29.666,483 1.06,484 7.982,485 0.285,486 5.526,487 0.197,488 0.125,490 0.374,496 0.729,497 1.08,498 0.779,499 0.906,500 0.571,501 0.848,502 0.423,503 0.951,504 0.765,505 0.914,506 0.471,507 0.891,508 0.978,509 1.179,510 1.049,511 1.137,512 0.951,513 1.108,514 1.018,515 1.148,516 1.027,517 1.094,518 0.923,519 1.064,520 1.202,521 1.065,522 1.049,523 1.039,524 1.131,525 1.021,526 1.377,527 0.927,528 1.035,529 0.89,530 1.361,531 0.911,532 1.256,533 0.995,534 1.106,535 0.982,536 1.253,537 1.018,538 0.817,539 1.014,540 1.003,541 1.06,542 0.736,543 1.052,544 6,545 0.143,546 3.333,547 2.319,548 1.444,549 0.959,550 0.642,551 0.365,552 0.286,553 0.172,554 10620,555 27319,556 2.094,557 42.9,558 6,559 12,562 3,567 1.706,568 1.953,569 3.502,570 0.847,572 1,577 72.085,578 1.471,579 3.315,580 4.278,581 5.038,582 5.38,583 5.38,584 2.942,585 4.352,586 4.779,587 3.707,588 1401.38,589 8.288,590 18829.6,592 1,594 1,595 275.121,596 1.432,597 4.736,598 0.194,599 0.008,600 0.076,601 0.053,602 0.036,603 0.027,604 0.02,605 0.013,606 0.011,607 0.008,608 0.445,609 0.33,610 1,611 0.573,612 141.958,613 -0.068,614 0.031,615 0.027,616 0.062,617 -0.073,618 0.061,619 0.294,620 0.111,621 0.1,622 0.063,623 0.123,624 0.05,625 -0.097,626 -0.16,627 -0.145,628 -0.16,629 -0.091,630 -0.159,631 -0.068,632 -0.15,633 -0.062,634 -0.124,635 -0.017,636 -0.096,637 -0.101,638 -0.077,639 -0.049,640 -0.074,641 -0.033,642 -0.055,643 -0.156,644 0.046,645 -0.005,646 0.076,647 -0.097,648 0.061,649 -0.166,650 -0.018,651 -0.111,652 -0.008,653 -0.138,654 -0.045,655 0.015,656 -0.034,657 -0.016,658 -0.083,659 0.014,660 -0.057,661 1.947,662 5.322,663 0.75,664 27.378,665 0.998,666 1.115,667 3.436,668 11.804,669 0.689,670 3.466,671 3.807,672 4.078,673 4.357,674 4.543,675 4.585,676 4.71,677 4.828,678 4.844,679 4.913,680 7.041,681 0.658,682 371.47,683 3.466,684 5.017,685 5.872,686 6.758,687 7.628,688 8.517,689 9.394,690 10.285,691 11.166,692 12.058,693 6.1,700 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 3,797 0.75,798 2,815 1,816 3,819 1,843 3,847 2,851 28,858 1,860 3,874 4.1,877 2,881 14.333,882 9.417,883 6.056,884 2.847,886 3.388,887 1.444,888 1.023,889 4.887,890 11.01,891 3.761,892 4.376,893 4.936,894 5.515,895 6.041,896 6.244,897 6.625,898 7.003,899 7.263,900 7.572,901 0.875,902 44,903 10.344,905 4.433,906 7.774,907 19.701,909 16.257,911 2.274,912 63.667,914 1,915 1,916 211.88,917 148.126,918 54.032,920 50.29,923 148.126,924 262.17,925 54.032,926 17.65,927 56.138,928 94.762,929 54.995,930 24.627,931 4.276,932 211.88,934 211.88,935 202.158,936 50.29,939 211.88,940 50.29,943 73.788,944 128.37,947 211.88,948 104.322,949 148.126,952 211.88,953 35.713,954 112.413,955 54.032,956 50.29,957 211.88,958 104.322,959 148.126,961 0.588,962 0.343,963 0.189,964 0.099,965 22,966 10,967 0.058,968 3,969 1,970 1.095,971 4.008,972 242.717,973 0.095,974 21,975 132.606,981 18.268,982 7.49,983 3.809,985 104.322,986 19.312,991 7.345,993 54.032,994 464.328,995 42,1000 24.219,1004 -0.309,1007 48.912,1008 54.651,1009 0.262,1010 0.59,1011 0.762,1012 0.897,1013 0.958,1014 0.958,1015 5.001,1016 1.544,1017 5.866,1018 4.782,1019 4.489,1020 5.063,1021 2.15,1022 6.683,1023 4.468,1024 6.22,1025 1.395,1026 7.43,1027 3.703,1028 4.111,1029 4.89,1030 1.195,1031 7.582,1032 4.096,1033 7.533,1034 1.19,1035 9.09,1036 3.592,1037 6.089,1038 7.249,1039 2.64,1040 10.692,1041 6.047,1042 8.879,1043 1.171,1044 10.809,1045 3.202,1046 6.509,1047 7.849,1048 2.324,1049 12.436,1050 6.473,1051 10.255,1052 0.749,1053 12.565,1054 2.586,1055 7.973,1056 9.71,1057 3.362,1058 15.067,1059 7.918,1060 11.651,1061 0.249,1062 14.349,1063 1.781,1064 8.768,1065 10.688,1066 3.407,1067 17.176,1068 8.717,1069 13.064,1070 -0.181,1071 16.153,1072 0.63,1073 10.025,1074 12.327,1075 4.212,1076 19.647,1077 9.962,1078 3.207,1079 -0.419,1080 17.973,1081 -0.457,1082 10.999,1083 13.503,1084 4.464,1085 21.917,1086 10.938,1087 2.884,1088 11.18,1089 19.807,1090 -0.998,1091 12.174,1092 15.033,1093 5.137,1094 24.337,1095 12.107,1096 2.692,1097 9.041,1098 21.651,1099 4.243,1100 13.233,1101 16.318,1102 5.504,1103 26.68,1104 13.167,1105 2.51,1106 8.25,1107 23.504,1108 3.843,1109 14.379,1110 17.793,1111 6.102,1112 29.087,1113 14.31,1114 2.209,1115 7.63,1116 25.365,1117 3.66,1118 15.48,1119 19.139,1120 6.531,1121 31.464,1122 15.412,1123 1.824,1124 6.003,1125 27.232,1126 3.196,1127 16.619,1128 20.587,1129 7.088,1130 33.869,1131 16.55,1132 1.697,1133 5.327,1134 29.105,1135 2.815,1136 17.742,1137 21.969,1138 7.551,1139 36.263,1140 17.673,1141 10012,1142 16183,1143 20.69,1144 33.779,1145 47.031,1146 48.63,1147 48.49,1148 46.577,1149 46.645,1150 62.187,1151 6.914,1152 135.411,1153 46.194,1154 5.425,1155 5.65,1156 6.352,1157 5.247,1158 5.207,1159 7.243,1160 2.912,1161 18.555,1162 5.201,1163 13.766,1164 1.517,1165 1.569,1166 1.564,1167 1.502,1168 1.505,1169 2.006,1170 0.223,1171 4.368,1172 1.49,1173 4.072,1174 4.095,1175 4.029,1176 4.014,1177 7.432,1178 4.014,1179 3.93,1180 3.963,1181 3.869,1182 3.857,1183 7.428,1184 3.854,1185 3.849,1186 3.88,1187 3.792,1188 3.769,1189 4.821,1190 3.771,1191 3.449,1192 3.496,1193 3.394,1194 3.214,1195 4.749,1196 3.244,1197 3.369,1198 3.427,1199 3.277,1200 3.15,1201 4.593,1202 3.178,1203 3.172,1204 3.251,1205 3.005,1206 3.042,1207 4.056,1208 3.023,1209 3.15,1210 3.233,1211 2.954,1212 2.984,1213 4.032,1214 2.97,1215 2.988,1216 3.037,1217 2.861,1218 2.855,1219 3.897,1220 2.851,1221 0.147,1222 0.118,1223 0.219,1224 0.136,1225 0.103,1226 4.553,1227 0.137,1228 3.65,1229 0.053,1230 6.795,1231 0.361,1232 4.206,1233 0.103,1234 3.207,1235 4.243,1236 1.656,1237 11.18,1238 3.201,1239 2.004,1240 1.986,1241 2.088,1242 2.07,1243 1.261,1244 2.076,1245 1.914,1246 1.884,1247 2.036,1248 2.008,1249 1.132,1250 2.018,1251 1.79,1252 1.765,1253 1.906,1254 1.881,1255 1.053,1256 1.889,1257 1.367,1258 1.312,1259 1.577,1260 1.658,1261 0.715,1262 1.63,1263 1.301,1264 1.242,1265 1.562,1266 1.595,1267 0.616,1268 1.568,1269 1.197,1270 1.119,1271 1.53,1272 1.404,1273 0.601,1274 1.453,1275 1.157,1276 1.085,1277 1.373,1278 1.385,1279 0.348,1280 1.415,1281 1.03,1282 0.998,1283 1.197,1284 1.213,1285 0.253,1286 1.212,1287 4.143,1289 5.476,1290 2.398,1291 6.999,1292 4.727,1293 8.609,1294 6.823,1295 10.265,1297 3.938,1303 0.544,1305 8.618,1314 32.235,1315 72.085,1316 162.418,1317 209.637,1318 246.856,1319 263.611,1320 263.611,1321 44.698,1322 7.622,1323 70.23,1324 70.23,1325 23,1326 12.588,1327 4.392,1328 3.585,1329 42.677,1330 121,1331 106,1332 0.174,1333 197.995,1334 345.86,1335 474.867,1336 22447,1338 19.673,1339 0.703,1340 0.564,1341 19.673,1342 15.797,1343 13.508,1344 0.436,1345 0.296,1346 9.087,1347 13.179,1348 8.785,1349 7.339,1350 13.508,1351 9.169,1352 12.502,1353 0.284,1354 0.159,1355 12.502,1356 6.993,1357 10.34,1358 0.178,1359 0.085,1360 10.34,1361 4.908,1362 8.92,1363 0.116,1364 0.045,1365 8.92,1366 3.503,1367 6.961,1368 0.075,1369 0.024,1370 6.961,1371 2.242,1372 0.278,1373 83.474,1374 0.22,1375 27.006,1376 0.466,1377 150,1378 406.47,1379 160.423,1380 402.954,1381 554.34,1382 376,1383 177,1384 410.47,1385 186.316,1386 422.135,1387 615.05,1388 397,1389 5.1}
{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 6,238 4,243 4,246 8,250 2,254 1,255 3,258 10,264 2,267 1,269 2,272 10,276 1176,277 18.809,278 18.809,279 18.809,280 18.809,281 18.809,282 16.321,283 22.751,284 10.91,285 18.937,286 15.276,287 15.276,288 15.276,289 15.276,290 15.276,291 11.47,292 32.701,293 5.17,294 15.453,295 4.144,296 2.3,297 1.5,298 0.822,299 0.561,300 0.398,301 4.07,304 1,305 1,306 1,307 768,308 3.082,311 66.529,312 276.438,315 124.748,319 2.031,320 22.429,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 59.5,332 351,333 4.543,334 3.65,335 6.792,336 4.198,337 3.198,338 4.224,339 1.656,340 11.163,341 3.194,342 4.226,343 3.563,344 6.045,345 3.839,346 2.85,347 3.875,348 1.081,349 8.586,350 2.82,351 4.079,352 3.028,353 5.958,354 3.71,355 2.717,356 3.634,357 0.473,358 8.382,359 2.697,360 3.824,361 2.984,362 5.531,363 3.503,364 2.521,365 3.144,366 0.247,367 7.447,368 2.46,369 3.601,370 2.571,371 5.265,372 3.232,373 2.252,374 2.919,376 6.615,377 2.202,378 3.3,379 2.311,380 4.979,381 2.876,382 1.873,383 2.533,385 5.403,386 1.868,387 3.118,388 2.187,389 4.597,390 2.675,391 1.666,392 2.3,394 4.762,395 1.672,396 2.919,397 1.729,398 4.161,399 2.532,400 1.544,401 2.074,403 3.703,404 1.525,405 2.82,406 1.634,407 4.041,408 2.414,409 1.414,410 1.948,412 3.522,413 1.414,414 2.643,415 1.383,416 4.027,417 2.177,418 1.182,419 1.652,421 3.212,422 1.171,423 2.5,424 1.091,425 3.414,426 2,427 1,428 1.5,430 2.275,431 1,432 1.961,433 1,434 3.31,435 1.724,436 0.747,437 0.874,439 1.771,440 0.726,441 1.536,442 0.753,443 3.007,444 1.269,445 0.293,446 0.346,448 0.688,449 0.285,450 1.336,451 0.546,452 2.6,453 0.991,454 0.009,455 0.011,457 0.021,458 0.009,459 0.972,460 0.361,461 2.394,462 0.655,463 -0.337,464 -0.411,466 -0.858,467 -0.332,468 13.367,469 0.477,470 0.75,471 0.027,472 39.5,473 1.411,474 22,475 0.786,476 17.5,477 0.625,478 20.123,479 0.719,480 28.633,481 0.584,482 29.401,483 1.05,484 7.982,485 0.285,486 5.526,487 0.197,488 0.125,490 0.374,496 0.729,497 1.08,498 0.779,499 0.906,500 0.571,501 0.848,502 0.423,503 0.951,504 0.765,505 0.914,506 0.471,507 0.891,508 0.989,509 1.134,510 1.055,511 1.113,512 0.946,513 1.095,514 0.954,515 1.256,516 1.083,517 1.226,518 0.922,519 1.183,520 1.186,521 0.952,522 0.974,523 0.912,524 1.125,525 0.91,526 1.234,527 0.97,528 0.986,529 0.912,530 1.148,531 0.909,532 1.384,533 0.993,534 1.055,535 0.938,536 1.362,537 0.949,538 1.435,539 0.903,540 1.088,541 0.89,542 1.444,543 0.932,544 6,545 0.151,546 3.556,547 2.194,548 1.284,549 0.903,550 0.594,551 0.258,552 0.29,553 0.197,554 11068,555 28055,556 2.094,557 42.9,558 6,559 12,562 3,567 1.704,568 1.953,569 3.585,570 0.847,572 1,577 72.085,578 1.471,579 3.315,580 4.115,581 4.793,582 5.053,583 5.217,584 3.04,585 4.423,586 4.781,587 3.776,588 1427.29,589 8.274,590 19576.9,592 1,594 1,595 275.121,596 1.432,597 4.736,598 0.194,599 0.008,600 0.081,601 0.05,602 0.034,603 0.027,604 0.02,605 0.01,606 0.013,607 0.009,608 0.445,609 0.33,610 1,611 0.573,612 143.126,613 -0.068,614 0.031,615 0.027,616 0.062,617 -0.073,618 0.061,619 0.294,620 0.111,621 0.1,622 0.063,623 0.123,624 0.05,625 -0.108,626 -0.115,627 -0.151,628 -0.136,629 -0.087,630 -0.146,631 -0.049,632 -0.276,633 -0.13,634 -0.246,635 -0.02,636 -0.209,637 -0.084,638 0.014,639 0.063,640 0.057,641 -0.031,642 0.079,643 -0.106,644 0.017,645 0.037,646 0.049,647 -0.044,648 0.064,649 -0.158,650 -0.008,651 -0.036,652 0.023,653 -0.105,654 0.013,655 -0.158,656 0.108,657 -0.076,658 0.06,659 -0.164,660 0.012,661 1.952,662 5.254,663 0.75,664 27.857,665 0.998,666 1.115,667 3.436,668 11.804,669 0.689,670 3.466,671 3.807,672 4.078,673 4.331,674 4.522,675 4.554,676 4.673,677 4.754,678 4.754,679 4.852,680 7.377,681 0.658,682 371.47,683 3.466,684 5.017,685 5.872,686 6.753,687 7.622,688 8.506,689 9.38,690 10.265,691 11.143,692 12.029,693 6.1,700 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 3,797 0.75,798 2,815 1,816 3,819 1,843 3,847 2,851 28,858 1,860 3,874 4.1,877 2,881 14.333,882 9.417,883 6.056,884 2.847,886 3.44,887 1.45,888 1.023,889 4.887,890 11.092,891 3.761,892 4.376,893 4.936,894 5.5,895 6.031,896 6.218,897 6.593,898 6.929,899 7.168,900 7.497,901 1,902 44,903 10.341,905 4.429,906 7.774,907 19.701,909 16.257,911 2.274,912 63.667,914 1,915 1,916 211.88,917 148.126,918 54.032,920 50.29,923 148.126,924 262.17,925 54.032,926 17.65,927 56.138,928 94.762,929 54.995,930 24.627,931 4.276,932 211.88,934 211.88,935 202.158,936 50.29,939 211.88,940 50.29,943 73.788,944 128.37,947 211.88,948 104.322,949 148.126,952 211.88,953 35.713,954 112.413,955 54.032,956 50.29,957 211.88,958 104.322,959 148.126,961 0.59,962 0.347,963 0.183,964 0.096,965 22,966 10,967 0.058,968 3,969 1,970 1.095,971 4.048,972 239.583,973 0.095,974 21,975 127.851,981 18.268,982 7.49,983 3.809,985 104.322,986 19.174,991 7.557,993 54.032,994 464.328,995 42,1000 24.103,1004 -0.315,1007 48.912,1008 54.651,1009 0.262,1010 0.59,1011 0.733,1012 0.854,1013 0.9,1014 0.929,1015 5.001,1016 1.544,1017 5.866,1018 4.762,1019 4.489,1020 5.063,1021 2.15,1022 6.678,1023 4.468,1024 6.22,1025 1.414,1026 7.43,1027 3.703,1028 4.111,1029 4.89,1030 1.195,1031 7.573,1032 4.096,1033 7.533,1034 1.182,1035 9.089,1036 3.522,1037 6.089,1038 7.249,1039 2.64,1040 10.669,1041 6.048,1042 8.879,1043 1,1044 10.806,1045 3.212,1046 6.509,1047 7.849,1048 2.324,1049 12.405,1050 6.476,1051 10.254,1052 0.747,1053 12.559,1054 2.275,1055 7.969,1056 9.708,1057 3.362,1058 15.028,1059 7.918,1060 11.649,1061 0.293,1062 14.339,1063 1.771,1064 8.76,1065 10.681,1066 3.407,1067 17.132,1068 8.715,1069 13.061,1070 0.009,1071 16.139,1072 0.688,1073 10.013,1074 12.318,1075 4.212,1076 19.599,1077 9.957,1078 3.198,1079 -0.337,1080 17.956,1081 0.021,1082 10.981,1083 13.489,1084 4.464,1085 21.87,1086 10.93,1087 2.85,1088 11.163,1089 19.785,1090 -0.858,1091 12.152,1092 15.017,1093 5.137,1094 24.289,1095 12.096,1096 2.717,1097 8.586,1098 21.626,1099 4.224,1100 13.205,1101 16.296,1102 5.504,1103 26.634,1104 13.152,1105 2.521,1106 8.382,1107 23.475,1108 3.875,1109 14.347,1110 17.769,1111 6.102,1112 29.041,1113 14.292,1114 2.252,1115 7.447,1116 25.333,1117 3.634,1118 15.443,1119 19.11,1120 6.531,1121 31.421,1122 15.39,1123 1.873,1124 6.615,1125 27.198,1126 3.144,1127 16.579,1128 20.556,1129 7.088,1130 33.827,1131 16.525,1132 1.666,1133 5.403,1134 29.069,1135 2.919,1136 17.697,1137 21.932,1138 7.551,1139 36.223,1140 17.645,1141 10424,1142 16739,1143 20.69,1144 33.779,1145 46.916,1146 48.64,1147 48.447,1148 46.466,1149 46.531,1150 62.068,1151 6.914,1152 135.098,1153 46.084,1154 5.413,1155 5.65,1156 6.303,1157 5.24,1158 5.198,1159 7.224,1160 2.912,1161 18.516,1162 5.194,1163 14.139,1164 1.513,1165 1.569,1166 1.563,1167 1.499,1168 1.501,1169 2.002,1170 0.223,1171 4.358,1172 1.487,1173 4.066,1174 4.09,1175 4.022,1176 4.007,1177 7.432,1178 4.007,1179 3.951,1180 3.982,1181 3.892,1182 3.886,1183 7.428,1184 3.883,1185 3.83,1186 3.863,1187 3.772,1188 3.743,1189 4.827,1190 3.745,1191 3.465,1192 3.514,1193 3.408,1194 3.222,1195 4.74,1196 3.257,1197 3.366,1198 3.424,1199 3.272,1200 3.172,1201 4.597,1202 3.189,1203 3.154,1204 3.245,1205 3,1206 3,1207 4.071,1208 2.988,1209 3.133,1210 3.206,1211 2.925,1212 2.974,1213 4.051,1214 2.956,1215 2.98,1216 3.015,1217 2.869,1218 2.812,1219 3.876,1220 2.825,1221 0.147,1222 0.118,1223 0.219,1224 0.135,1225 0.103,1226 4.543,1227 0.136,1228 3.65,1229 0.053,1230 6.792,1231 0.36,1232 4.198,1233 0.103,1234 3.198,1235 4.224,1236 1.656,1237 11.163,1238 3.194,1239 1.994,1240 1.976,1241 2.078,1242 2.062,1243 1.243,1244 2.068,1245 1.938,1246 1.911,1247 2.057,1248 2.023,1249 1.192,1250 2.036,1251 1.769,1252 1.743,1253 1.881,1254 1.868,1255 0.995,1256 1.872,1257 1.369,1258 1.314,1259 1.575,1260 1.659,1261 0.715,1262 1.631,1263 1.329,1264 1.268,1265 1.567,1266 1.606,1267 0.63,1268 1.585,1269 1.191,1270 1.105,1271 1.557,1272 1.42,1273 0.611,1274 1.476,1275 1.105,1276 1.042,1277 1.32,1278 1.344,1279 0.335,1280 1.359,1281 1.028,1282 0.995,1283 1.194,1284 1.213,1285 0.218,1286 1.212,1287 4.143,1289 5.476,1290 2.398,1291 6.999,1292 4.727,1293 8.606,1294 6.823,1295 10.257,1297 4.051,1303 0.544,1305 8.553,1314 32.235,1315 72.085,1316 162.418,1317 201.637,1318 234.856,1319 247.611,1320 255.611,1321 44.343,1322 7.652,1323 70.23,1324 70.23,1325 23,1326 12.563,1327 4.392,1328 3.585,1329 42.813,1330 127,1331 114,1332 0.165,1333 197.995,1334 345.86,1335 474.867,1336 23921,1338 19.673,1339 0.703,1340 0.564,1341 19.673,1342 15.797,1343 13.508,1344 0.436,1345 0.296,1346 9.087,1347 13.177,1348 8.786,1349 7.335,1350 13.508,1351 9.169,1352 12.468,1353 0.283,1354 0.158,1355 12.468,1356 6.97,1357 10.536,1358 0.182,1359 0.087,1360 10.536,1361 5.065,1362 8.684,1363 0.116,1364 0.045,1365 8.684,1366 3.37,1367 6.863,1368 0.075,1369 0.024,1370 6.863,1371 2.206,1372 0.267,1373 83.474,1374 0.22,1375 27.2,1376 0.432,1377 150,1378 406.47,1379 160.423,1380 402.816,1381 554.26,1382 376,1383 177,1384 410.47,1385 186.15,1386 421.867,1387 614.15,1388 397,1389 5.4}
{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 6,238 3,243 3,246 8,250 2,254 1,255 3,258 10,264 2,267 1,269 2,272 8,276 1037,277 18.309,278 18.309,279 18.309,280 18.309,281 18.309,282 15.874,283 21.893,284 10.777,285 18.437,286 14.825,287 14.825,288 14.825,289 14.825,290 14.825,291 11.09,292 32.092,293 5.132,294 15.002,295 4.034,296 2.288,297 1.425,298 0.642,299 0.364,300 0.321,301 4.038,304 1,305 1,306 1,307 703,308 3,311 62.779,312 262.827,315 117.778,319 1.953,320 22.026,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 57.5,332 320,333 4.543,334 3.65,335 6.792,336 4.198,337 3.198,338 4.224,339 1.656,340 11.163,341 3.194,342 4.105,343 3.563,344 6.045,345 3.737,346 2.757,347 3.67,348 1.081,349 8.585,350 2.707,351 4.047,352 3.027,353 5.623,354 3.661,355 2.67,356 3.625,357 0.473,358 7.798,359 2.638,360 3.791,361 2.741,362 5.414,363 3.444,364 2.46,365 3.129,366 0.247,367 7.161,368 2.412,369 3.51,370 2.563,371 5.013,372 3.12,373 2.128,374 2.777,376 5.789,377 2.102,378 3.214,379 2.199,380 4.864,381 2.811,382 1.813,383 2.441,385 5.281,386 1.803,387 3.098,388 2.132,389 4.499,390 2.658,391 1.649,392 2.274,394 4.574,395 1.654,396 2.919,397 1.729,398 4.16,399 2.532,400 1.543,401 2.074,403 3.703,404 1.525,405 2.661,406 1.383,407 4.028,408 2.188,409 1.192,410 1.73,412 3.211,413 1.185,414 2.641,415 1.24,416 3.479,417 2.168,418 1.171,419 1.651,421 2.587,422 1.164,423 2.5,424 1.09,425 3.414,426 2,427 1,428 1.5,430 2.275,431 1,432 1.961,433 1,434 3.31,435 1.723,436 0.746,437 0.873,439 1.769,440 0.726,441 1.349,442 0.663,443 2.947,444 1.042,445 0.086,446 0.103,448 0.23,449 0.082,450 1.184,451 0.417,452 2.553,453 0.782,454 -0.218,455 -0.285,457 -0.533,458 -0.216,459 0.972,460 0.235,461 2.314,462 0.573,463 -0.426,464 -0.528,466 -0.996,467 -0.425,468 12.867,469 0.477,470 0.661,471 0.024,472 39,473 1.444,474 22,475 0.815,476 17,477 0.63,478 17.913,479 0.663,480 27.333,481 0.594,482 28.605,483 1.059,484 7.926,485 0.294,486 5.172,487 0.192,488 0.091,490 0.35,496 0.73,497 1.062,498 0.757,499 0.878,500 0.563,501 0.819,502 0.431,503 0.988,504 0.803,505 0.96,506 0.483,507 0.94,508 0.991,509 1.119,510 1.051,511 1.101,512 0.955,513 1.085,514 0.986,515 1.172,516 0.993,517 1.113,518 0.932,519 1.065,520 1.338,521 1.025,522 1.121,523 1.01,524 1.263,525 1.023,526 1.12,527 0.98,528 0.942,529 0.935,530 1.089,531 0.916,532 1.471,533 0.927,534 1.145,535 0.906,536 1.453,537 0.964,538 0.924,539 0.962,540 0.924,541 0.959,542 0.918,543 0.945,544 5.5,545 0.143,546 2.889,547 2.132,548 1.093,549 0.847,550 0.512,551 0.233,552 0.24,553 0.157,554 10045,555 26382,556 2.12,557 41.3,558 3,559 13,562 3,567 1.694,568 2,569 3.515,570 0.872,572 1,577 68.511,578 1.489,579 3.236,580 4.098,581 4.882,582 5.159,583 5.203,584 2.94,585 4.533,586 4.728,587 3.719,588 1305.2,589 8.171,590 17363.5,592 1,594 1,595 254.084,596 1.352,597 4.694,598 0.183,599 0.008,600 0.069,601 0.052,602 0.03,603 0.026,604 0.018,605 0.01,606 0.011,607 0.008,608 0.415,609 0.33,610 1,611 0.528,612 136.085,613 -0.075,614 0.036,615 0.024,616 0.067,617 -0.072,618 0.065,619 0.283,620 0.068,621 0.036,623 0.109,624 -0.021,625 -0.107,626 -0.115,627 -0.141,628 -0.131,629 -0.095,630 -0.138,631 -0.044,632 -0.198,633 -0.023,634 -0.136,635 0.004,636 -0.088,637 -0.17,638 -0.028,639 -0.112,640 -0.052,641 -0.098,642 -0.066,643 -0.061,644 -0.026,645 0.094,646 0.049,647 -0.011,648 0.087,649 -0.232,650 0.061,651 -0.121,652 0.056,653 -0.183,654 -0.002,655 0.007,656 0.018,657 0.066,658 0.019,659 -0.023,660 0.043,661 1.955,662 5.17,663 0.778,664 26.052,665 1.001,666 1.114,667 3.221,668 10.374,669 0.696,670 3.434,671 3.761,672 4.025,673 4.304,674 4.477,675 4.511,676 4.625,677 4.736,678 4.718,679 4.82,680 7.123,681 0.668,682 357.44,683 3.434,684 4.977,685 5.826,686 6.706,687 7.569,688 8.453,689 9.322,690 10.208,691 11.083,692 11.97,693 6.5,700 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 3,797 0.75,798 2,815 1,816 3,819 1,843 3,847 1,851 27,858 1,860 3,874 4.3,877 2,881 13.5,882 8.5,883 5.861,884 2.646,886 3.417,887 1.452,888 1.03,889 4.654,890 10.984,891 3.738,892 4.337,893 4.892,894 5.472,895 5.989,896 6.173,897 6.555,898 6.922,899 7.152,900 7.48,901 0.875,902 41,903 9.964,905 4.279,906 7.796,907 18.926,909 15.609,911 2.296,912 62,915 1,916 188.338,917 145.591,918 54.032,920 50.29,923 145.591,924 238.627,925 54.032,926 8.825,927 56.138,928 104.239,929 54.995,930 21.441,931 4.276,932 188.338,934 188.338,935 199.624,936 50.29,939 188.338,940 50.29,943 64.963,944 134.661,947 188.338,948 104.322,949 145.591,952 188.338,953 32.528,954 113.064,955 54.032,956 50.29,957 188.338,958 104.322,959 145.591,961 0.583,962 0.337,963 0.187,964 0.097,965 21,966 9,967 0.061,968 3,969 1,970 1.095,971 3.994,972 227.76,973 0.095,974 21,975 122.382,981 17.317,982 7.256,983 3.712,985 104.322,986 20.974,991 6.314,993 54.032,994 438.251,995 41,1000 24,1004 -0.318,1007 46.029,1008 51.235,1009 0.27,1010 0.586,1011 0.742,1012 0.884,1013 0.934,1014 0.942,1015 4.966,1016 1.543,1017 5.808,1018 4.574,1019 4.443,1020 5.024,1021 2.15,1022 6.608,1023 4.421,1024 6.175,1025 1.192,1026 7.357,1027 3.703,1028 4.007,1029 4.783,1030 1.195,1031 7.476,1032 3.991,1033 7.479,1034 1.171,1035 9.004,1036 3.211,1037 6.023,1038 7.19,1039 2.64,1040 10.584,1041 5.98,1042 8.816,1043 1,1044 10.71,1045 2.587,1046 6.399,1047 7.73,1048 2.324,1049 12.323,1050 6.362,1051 10.182,1052 0.746,1053 12.456,1054 2.275,1055 7.886,1056 9.626,1057 3.362,1058 14.952,1059 7.83,1060 11.569,1061 0.086,1062 14.231,1063 1.769,1064 8.65,1065 10.556,1066 3.407,1067 17.071,1068 8.601,1069 12.975,1070 -0.218,1071 16.029,1072 0.23,1073 9.918,1074 12.218,1075 4.212,1076 19.545,1077 9.857,1078 3.198,1079 -0.426,1080 17.846,1081 -0.533,1082 10.875,1083 13.361,1084 4.464,1085 21.828,1086 10.82,1087 2.757,1088 11.163,1089 19.677,1090 -0.996,1091 12.055,1092 14.903,1093 5.137,1094 24.253,1095 11.994,1096 2.67,1097 8.585,1098 21.521,1099 4.224,1100 13.106,1101 16.167,1102 5.504,1103 26.607,1104 13.048,1105 2.46,1106 7.798,1107 23.376,1108 3.67,1109 14.254,1110 17.649,1111 6.102,1112 29.019,1113 14.195,1114 2.128,1115 7.161,1116 25.239,1117 3.625,1118 15.352,1119 18.982,1120 6.531,1121 31.404,1122 15.296,1123 1.813,1124 5.789,1125 27.11,1126 3.129,1127 16.493,1128 20.435,1129 7.088,1130 33.814,1131 16.437,1132 1.649,1133 5.281,1134 28.988,1135 2.777,1136 17.616,1137 21.809,1138 7.551,1139 36.213,1140 17.562,1141 9419,1142 15388,1143 20.285,1144 32.017,1145 45.177,1146 46.801,1147 46.373,1148 44.738,1149 44.826,1150 60.143,1151 6.914,1152 128.249,1153 44.381,1154 5.412,1155 5.65,1156 6.348,1157 5.238,1158 5.198,1159 7.224,1160 2.912,1161 18.516,1162 5.194,1163 11.867,1164 1.506,1165 1.56,1166 1.546,1167 1.491,1168 1.494,1169 2.005,1170 0.23,1171 4.275,1172 1.479,1173 4.065,1174 4.089,1175 4.021,1176 4.006,1177 7.432,1178 4.006,1179 3.929,1180 3.963,1181 3.868,1182 3.856,1183 7.428,1184 3.853,1185 3.827,1186 3.86,1187 3.769,1188 3.742,1189 4.827,1190 3.744,1191 3.449,1192 3.496,1193 3.393,1194 3.21,1195 4.75,1196 3.242,1197 3.36,1198 3.417,1199 3.268,1200 3.149,1201 4.597,1202 3.174,1203 3.153,1204 3.233,1205 2.976,1206 2.999,1207 4.056,1208 2.985,1209 3.007,1210 3.05,1211 2.9,1212 2.877,1213 4.032,1214 2.879,1215 2.854,1216 2.925,1217 2.72,1218 2.735,1219 3.875,1220 2.715,1221 0.151,1222 0.122,1223 0.226,1224 0.14,1225 0.107,1226 4.543,1227 0.141,1228 3.65,1229 0.055,1230 6.792,1231 0.372,1232 4.198,1233 0.106,1234 3.198,1235 4.224,1236 1.656,1237 11.163,1238 3.194,1239 1.994,1240 1.976,1241 2.078,1242 2.061,1243 1.243,1244 2.066,1245 1.914,1246 1.884,1247 2.036,1248 2.007,1249 1.131,1250 2.018,1251 1.768,1252 1.742,1253 1.881,1254 1.865,1255 0.995,1256 1.871,1257 1.365,1258 1.309,1259 1.575,1260 1.658,1261 0.715,1262 1.63,1263 1.298,1264 1.239,1265 1.559,1266 1.585,1267 0.615,1268 1.56,1269 1.157,1270 1.087,1271 1.373,1272 1.387,1273 0.356,1274 1.417,1275 1.032,1276 0.999,1277 1.197,1278 1.214,1279 0.255,1280 1.213,1281 0.908,1282 0.854,1283 1.181,1284 1.102,1285 0.218,1286 1.115,1287 4.111,1289 5.434,1290 2.398,1291 6.946,1292 4.727,1293 8.545,1294 6.823,1295 10.19,1297 1.977,1303 0.545,1305 8.507,1314 30.708,1315 68.511,1316 148.857,1317 188.52,1318 224.574,1319 237.329,1320 239.329,1321 41.171,1322 7.567,1323 70.23,1324 70.23,1325 23,1326 12.504,1327 4.392,1328 3.585,1329 40.545,1330 119,1331 99,1332 0.169,1333 188.402,1334 328.56,1335 451.462,1336 21456,1338 18.803,1339 0.696,1340 0.551,1341 18.803,1342 14.874,1343 13.097,1344 0.437,1345 0.292,1346 8.671,1347 12.766,1348 8.439,1349 7.028,1350 13.097,1351 8.752,1352 11.972,1353 0.285,1354 0.156,1355 11.972,1356 6.54,1357 9.874,1358 0.18,1359 0.083,1360 9.874,1361 4.576,1362 8.584,1363 0.118,1364 0.045,1365 8.584,1366 3.274,1367 6.607,1368 0.076,1369 0.024,1370 6.607,1371 2.079,1372 0.271,1373 81.009,1374 0.222,1375 26.358,1376 0.443,1377 144,1378 398.47,1379 154.423,1380 394.284,1381 541.27,1382 368,1383 169,1384 399.47,1385 178.15,1386 409.678,1387 596.45,1388 386,1389 6}
{0 CHEMBL1890036,1 1.784,2 9.821,3 2.193,4 4.807,5 102.512,6 9.009,7 0.677,8 3.912,9 4.026,10 3.631,11 3.367,12 5.248,13 3.418,14 4.332,15 4.47,16 3.964,17 3.703,18 5.617,19 3.748,20 4.46,21 4.63,22 3.96,23 3.707,24 5.796,25 3.736,26 4.526,27 4.7,28 4.029,29 3.735,30 5.865,31 3.787,32 4.563,33 4.748,34 4.027,35 3.765,36 5.88,37 3.809,38 4.553,39 4.728,40 3.975,41 3.704,42 5.972,43 3.756,44 4.515,45 4.692,46 3.915,47 3.597,48 6.006,49 3.656,50 4.401,51 4.612,52 3.593,53 3.486,54 5.642,55 3.487,56 0.274,57 0.715,58 5.872,59 3.014,60 14.125,61 3.225,62 0.389,63 1.042,64 10.406,65 4.828,66 22.309,67 5.523,68 0.629,69 1.095,70 13.967,71 5.136,72 46.449,73 6.26,74 0.723,75 1.169,76 15.249,77 4.813,78 40.821,79 5.541,80 0.594,81 1.199,82 16.028,83 5.299,84 36.983,85 6.426,86 0.728,87 1.113,88 16.6,89 5.153,90 65.055,91 5.839,92 0.829,93 1.032,94 16.031,95 4.526,96 72.67,97 5.026,98 0.745,99 0.894,100 16.308,101 4.322,102 62.506,103 4.967,104 10,105 43,106 0.305,107 0.69,108 0.779,109 0.851,110 0.862,111 0.862,112 3.375,113 0.787,114 -3.98,115 -3.93,116 -3.73,119 40.5,120 1,142 7,143 1,146 1,147 2,151 1,152 2,157 1,158 1,163 1,164 1,165 1,166 4,168 1,172 7,174 3,175 4,177 1,178 2,183 6,187 6,188 6,190 3,191 4,193 1,196 4,199 6,200 9,202 1,203 4,205 2,208 1,212 4,213 13,215 1,216 1,218 4,223 1,224 2,225 14,228 1,230 4,235 2,237 4,238 12,240 1,241 3,242 1,243 3,245 1,246 1,248 2,249 4,250 7,252 1,253 1,255 1,258 3,260 1,264 5,272 5,276 1330,277 19.173,278 19.173,279 19.173,280 19.173,281 19.173,282 16.265,283 14.206,284 11.406,285 19.415,286 15.287,287 15.287,288 15.287,289 15.287,290 15.287,291 11.066,292 13.098,293 5.373,294 15.658,295 3.608,296 1.361,297 0.837,298 0.417,299 0.351,300 0.351,301 4.067,304 1,305 1,306 1,307 600,308 3.391,311 251.488,312 85.894,319 1.503,320 29.288,322 1,323 0.75,324 0.83,325 0.83,326 0.3,328 0.67,329 0.5,330 0.55,331 63,332 275,333 4.652,334 3.618,335 7.009,336 4.26,337 3.297,338 4.386,339 0.98,340 11.974,341 3.178,342 4.196,343 3.228,344 6.284,345 3.798,346 2.822,347 3.778,348 0.782,349 9.301,350 2.764,351 4.155,352 3.057,353 6.023,354 3.745,355 2.774,356 3.73,358 8.555,359 2.671,360 3.82,361 2.737,362 5.689,363 3.436,364 2.435,365 3.305,367 7.422,368 2.43,369 3.483,370 2.18,371 5.1,372 3.023,373 2.048,374 2.812,376 5.76,377 1.99,378 3.283,379 2.041,380 4.451,381 2.756,382 1.779,383 2.537,385 4.381,386 1.736,387 2.929,388 1.702,389 4.245,390 2.49,391 1.501,392 2.105,394 3.698,395 1.483,396 2.737,397 1.451,398 3.859,399 2.283,400 1.319,401 1.784,403 3.134,404 1.265,405 2.561,406 1.202,407 3.736,408 2.103,409 1.133,410 1.585,412 2.582,413 1.096,414 2.5,415 1.11,416 3.437,417 2,418 1,419 1.5,421 2.147,422 1,423 2.385,424 1,425 3.396,426 1.9,427 0.911,428 1.296,430 2.136,431 0.898,432 2.284,433 0.858,434 3.256,435 1.774,436 0.781,437 1.162,439 2.015,440 0.773,441 2.185,442 0.759,443 3.247,444 1.645,445 0.688,446 1.011,448 1.809,449 0.656,450 2.118,451 0.723,452 3,453 1.618,454 0.618,455 0.927,457 1.372,458 0.618,459 1.459,460 0.618,461 2.757,462 1.236,463 0.207,464 0.244,466 0.453,467 0.211,468 12.7,469 0.454,470 0.61,471 0.022,472 40.25,473 1.438,474 21.5,475 0.768,476 18.75,477 0.67,478 18.829,479 0.672,480 29.3,481 0.698,482 31.753,483 1.134,484 8.547,485 0.305,486 5.101,487 0.182,488 0.097,490 0.346,496 0.663,497 1.01,498 0.629,499 0.93,500 0.688,501 0.801,502 0.754,503 1.251,504 0.65,505 1.125,506 0.642,507 0.921,508 0.732,509 1.038,510 0.842,511 1.001,512 0.834,513 0.974,514 1.024,515 0.983,516 0.936,517 0.845,518 0.908,519 0.858,520 0.985,521 1.178,522 0.883,523 1.05,524 1.021,525 0.943,526 1.287,527 1.205,528 1.017,529 1.029,530 1.814,531 0.953,532 1.296,533 1.025,534 1.141,535 0.969,536 1.635,537 0.993,538 1.398,539 0.709,540 1.346,541 0.73,542 1.579,543 0.953,544 4,545 0.103,546 3.556,547 1.743,548 1.546,549 0.945,550 0.557,551 0.416,552 0.255,553 0.175,554 9566,555 31760,556 2.115,557 33.3,559 7,560 1,562 3,563 3,567 1.716,568 2,569 3.266,570 1.059,571 1,572 1,577 74.933,578 1.784,579 4.031,580 4.555,581 4.975,582 5.041,583 5.041,584 2.66,585 4.522,586 4.777,587 3.472,588 1312.59,589 8.337,590 17216.3,591 1,592 1,594 1,595 226.477,596 1.333,597 4.748,598 0.129,599 0.005,600 0.083,601 0.043,602 0.035,603 0.021,604 0.014,605 0.011,606 0.009,607 0.007,608 0.357,609 0.33,610 1,611 0.517,612 139.23,613 0.132,614 0.173,615 0.053,616 0.052,617 -0.062,618 0.029,619 0.059,620 -0.15,621 0.129,622 -0.124,623 0.035,624 -0.018,625 0.191,626 0.009,627 0.048,628 -0.045,629 0.119,630 -0.058,631 -0.003,632 0.08,633 -0.038,634 0.054,635 0.021,636 0.001,637 -0.08,638 -0.142,639 0.036,640 -0.117,641 -0.006,642 -0.022,643 -0.168,644 -0.22,645 -0.058,646 -0.089,647 -0.122,648 -0.04,649 -0.057,650 -0.032,651 -0.163,652 -0.082,653 0.008,654 -0.132,655 -0.261,656 0.24,657 -0.299,658 0.189,659 -0.342,660 -0.007,661 2.231,662 5.725,663 0.75,664 26,665 1.034,666 1.14,667 2.749,668 7.556,669 0.683,670 3.466,671 3.784,672 4.094,673 4.369,674 4.477,675 4.595,676 4.7,677 4.787,678 4.828,679 4.796,680 6.22,681 0.688,682 378.39,683 3.466,684 5.004,685 5.866,686 6.749,687 7.632,688 8.524,689 9.416,690 10.314,691 11.212,692 12.114,693 19,697 1,700 1,701 1,702 1,703 4,709 8,710 4,712 2,714 6,715 1,716 21,727 1,735 42,737 23,738 1,739 31,741 45,742 17,743 14,744 1,745 5,746 2,748 4,749 4,751 1,754 1,762 16,763 1,767 2,772 1,775 1,776 2,779 1,780 1,782 1,783 14,784 10,785 3,786 11,792 8,797 1,798 3,815 3,816 1,843 4,847 1,851 28,852 1,860 1,871 1,874 7.1,877 1,879 2,881 14,882 7.95,883 6.194,884 2.261,886 3.309,887 1.455,888 0.996,889 4.91,890 10.576,891 3.795,892 4.41,893 5.03,894 5.632,895 5.97,896 6.355,897 6.747,898 7.132,899 7.456,900 7.667,901 1,902 41,903 10.221,905 4.36,906 7.958,907 18.734,909 14.761,911 2.458,912 68.833,916 129.482,917 113.164,918 141.622,920 44.613,923 113.164,924 174.095,925 141.622,926 8.825,927 17.888,928 110.97,929 105.003,930 43.85,931 24.633,932 117.711,934 129.482,935 254.785,936 44.613,939 129.482,940 44.613,943 47.91,944 134.479,945 72.397,947 129.482,948 186.235,949 113.164,952 129.482,953 26.265,954 88.675,955 17.888,956 166.57,957 129.482,958 186.235,959 113.164,961 0.578,962 0.349,963 0.193,964 0.094,965 21,966 9,967 0.111,968 5,970 1,971 3.954,972 247.902,974 21,975 130.606,981 17.947,982 7.661,983 3.554,985 184.458,986 14.06,987 15.234,989 9.873,991 1.748,992 1.291,993 50.785,994 428.881,995 43.5,1000 12.725,1003 4.042,1004 -0.067,1007 43.447,1008 47.86,1009 0.331,1010 0.748,1011 0.845,1012 0.923,1013 0.935,1014 0.935,1015 5.012,1016 1.319,1017 5.844,1018 3.698,1019 4.466,1020 5.097,1021 1.422,1022 6.676,1023 4.417,1024 6.228,1025 1.133,1026 7.414,1027 3.134,1028 4.007,1029 4.783,1031 7.656,1032 3.917,1033 7.536,1034 1,1035 9.093,1036 2.582,1037 6.066,1038 7.297,1039 1.279,1040 10.808,1041 5.958,1042 8.888,1043 0.911,1044 10.841,1045 2.147,1046 6.524,1047 7.92,1049 12.687,1050 6.369,1051 10.275,1052 0.781,1053 12.632,1054 2.136,1055 7.995,1056 9.792,1057 1.172,1058 15.354,1059 7.819,1060 11.688,1061 0.688,1062 14.454,1063 2.015,1064 8.846,1065 10.841,1067 17.579,1068 8.623,1069 13.121,1070 0.618,1071 16.297,1072 1.809,1073 10.109,1074 12.458,1075 1.092,1076 20.105,1077 9.858,1078 3.297,1079 0.207,1080 18.157,1081 1.372,1082 11.133,1083 13.714,1085 22.474,1086 10.837,1087 2.822,1088 11.974,1089 20.028,1090 0.453,1091 12.323,1092 15.227,1093 1.03,1094 24.959,1095 11.995,1096 2.774,1097 9.301,1098 21.91,1099 4.386,1100 13.425,1101 16.584,1103 27.389,1104 13.054,1105 2.435,1106 8.555,1107 23.8,1108 3.778,1109 14.595,1110 18.058,1111 0.982,1112 29.865,1113 14.188,1114 2.048,1115 7.422,1116 25.697,1117 3.73,1118 15.735,1119 19.465,1121 32.323,1122 15.286,1123 1.779,1124 5.76,1125 27.6,1126 3.305,1127 16.902,1128 20.927,1129 0.943,1130 34.799,1131 16.417,1132 1.501,1133 4.381,1134 29.508,1135 2.812,1136 18.061,1137 22.361,1139 37.269,1140 17.535,1141 9074,1142 16761,1143 20.978,1144 28.693,1145 47.399,1146 47.557,1147 47.782,1148 46.712,1149 46.628,1150 64.326,1151 3.524,1152 133.475,1153 45.541,1154 5.454,1155 5.618,1156 6.811,1157 5.322,1158 5.297,1159 7.386,1160 1.96,1161 19.472,1162 5.178,1163 11.515,1164 1.529,1165 1.534,1166 1.541,1167 1.507,1168 1.504,1169 2.075,1170 0.114,1171 4.306,1172 1.469,1173 4.058,1174 4.104,1175 4.042,1176 3.916,1177 7.43,1178 3.931,1179 3.912,1180 3.927,1181 3.865,1182 3.756,1183 5.444,1184 3.777,1185 3.808,1186 3.847,1187 3.762,1188 3.611,1189 5.105,1190 3.65,1191 3.641,1192 3.685,1193 3.612,1194 3.373,1195 5.024,1196 3.43,1197 3.417,1198 3.493,1199 3.339,1200 3.199,1201 4.848,1202 3.211,1203 3.138,1204 3.206,1205 3.044,1206 2.832,1207 4.705,1208 2.878,1209 2.854,1210 2.94,1211 2.687,1212 2.735,1213 4.574,1214 2.715,1215 2.807,1216 2.925,1217 2.672,1218 2.584,1219 3.736,1220 2.609,1221 0.15,1222 0.117,1223 0.226,1224 0.137,1225 0.106,1226 4.652,1227 0.141,1228 3.618,1229 0.032,1230 7.009,1231 0.386,1232 4.26,1233 0.103,1234 3.297,1235 4.386,1236 0.98,1237 11.974,1238 3.178,1239 1.919,1240 1.893,1241 2.025,1242 2.006,1243 1.118,1244 2.011,1245 1.642,1246 1.603,1247 1.795,1248 1.851,1249 0.864,1250 1.825,1251 1.525,1252 1.484,1253 1.615,1254 1.755,1255 0.683,1256 1.709,1257 1.421,1258 1.378,1259 1.586,1260 1.625,1261 0.629,1262 1.602,1263 1.363,1264 1.328,1265 1.455,1266 1.586,1267 0.38,1268 1.57,1269 1.051,1270 0.991,1271 1.28,1272 1.526,1273 0.244,1274 1.415,1275 1.021,1276 0.958,1277 1.199,1278 1.324,1279 0.218,1280 1.319,1281 0.886,1282 0.821,1283 1.181,1284 1.228,1285 0.125,1286 1.146,1287 4.143,1289 5.46,1290 3.434,1291 6.959,1292 5.687,1293 8.546,1294 7.695,1295 10.185,1297 1.704,1301 5.769,1305 2.453,1314 28.896,1315 74.933,1316 169.316,1317 191.316,1318 208.968,1319 211.722,1320 211.722,1321 45.752,1322 7.267,1323 150.25,1324 150.25,1325 21,1326 12.636,1327 4.585,1328 3.755,1329 42.192,1330 100,1331 107,1332 0.199,1333 178.408,1334 294.95,1335 427.076,1336 12737,1338 19.51,1339 0.697,1340 0.522,1341 19.51,1342 14.604,1343 13.648,1344 0.44,1345 0.262,1346 7.945,1347 12.81,1348 7.816,1349 6.522,1350 13.648,1351 8.129,1352 12.029,1353 0.28,1354 0.131,1355 12.029,1356 5.653,1357 10.507,1358 0.178,1359 0.065,1360 10.507,1361 3.832,1362 8.781,1363 0.113,1364 0.032,1365 8.781,1366 2.503,1367 6.221,1368 0.072,1369 0.016,1370 6.221,1371 1.433,1372 0.307,1373 87.924,1374 0.218,1375 26.515,1376 0.563,1377 148,1378 544.722,1379 170.957,1380 520.489,1381 716.27,1382 484,1383 176,1384 562.585,1385 202.37,1386 553.22,1387 798.56,1388 518,1389 5.1}
{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 10,237 1,238 3,241 1,243 2,246 11,249 1,250 5,255 3,258 11,264 6,269 2,272 8,276 2730,277 24.549,278 24.549,279 24.549,280 24.549,281 24.549,282 21.675,283 30.255,284 14.579,285 25.183,286 19.776,287 19.776,288 19.776,289 19.776,290 19.776,291 15.497,292 48.345,293 7.021,294 20.793,295 4.505,296 2.417,297 1.296,298 0.803,299 0.599,300 0.599,301 4.323,306 1,307 1323,308 3.317,311 108.605,312 541.861,319 2.722,320 22.582,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 76,332 600,333 4.332,334 3.573,335 6.199,336 3.932,337 2.973,338 3.988,339 1.058,340 9.294,341 2.887,342 4.249,343 3.081,344 6.114,345 3.861,346 2.885,347 3.88,348 0.916,349 8.965,350 2.802,351 4.164,352 3.044,353 6.032,354 3.785,355 2.797,356 3.759,357 0.8,358 8.625,359 2.757,360 3.818,361 2.885,362 5.588,363 3.604,364 2.657,365 3.253,366 0.4,367 7.698,368 2.52,369 3.73,370 2.687,371 5.31,372 3.337,373 2.386,374 3.117,375 0.172,376 6.852,377 2.266,378 3.544,379 2.445,380 5.205,381 3.227,382 2.311,383 2.782,385 6.481,386 2.111,387 3.434,388 2.334,389 5.127,390 3.08,391 2.123,392 2.55,394 6.247,395 2.002,396 3.128,397 2.269,398 4.806,399 2.861,400 1.928,401 2.366,403 5.438,404 1.785,405 3.033,406 1.869,407 4.376,408 2.667,409 1.719,410 2.052,412 4.299,413 1.624,414 2.831,415 1.795,416 4.126,417 2.377,418 1.414,419 1.965,421 3.631,422 1.352,423 2.744,424 1.509,425 4.045,426 2.282,427 1.265,428 1.75,430 3.363,431 1.276,432 2.527,433 1.146,434 3.485,435 2.01,436 1.058,437 1.54,439 2.587,440 1,441 2.5,442 1.085,443 3.414,444 2,445 1,446 1.5,448 2.275,449 0.999,450 2.5,451 1,452 3.414,453 1.967,454 1,455 1.5,457 2.275,458 0.965,459 2.169,460 1,461 3.265,462 1.954,463 1,464 1.007,466 2.136,467 0.951,468 17.567,469 0.488,470 0.814,471 0.023,472 48.25,473 1.34,474 24.5,475 0.681,476 23.75,477 0.66,478 30.923,479 0.859,480 37.633,481 0.57,482 37.039,483 1.029,484 9.517,485 0.264,486 8.013,487 0.223,488 0.076,490 0.302,496 0.847,497 1.335,498 0.773,499 0.989,500 0.621,501 0.935,502 1.017,503 1.057,504 0.905,505 0.904,506 0.59,507 0.866,508 1.054,509 1.176,510 1.004,511 1.09,512 0.864,513 1.136,514 0.966,515 0.962,516 0.868,517 0.927,518 0.981,519 0.975,520 1.191,521 0.818,522 0.961,523 0.818,524 1.229,525 0.738,526 0.919,527 1.09,528 1.331,529 1.281,530 1.023,531 1.152,532 0.965,533 0.934,534 0.988,535 0.989,536 1.209,537 0.973,538 1.103,539 1.006,540 0.833,541 0.954,542 1.479,543 0.981,544 7.5,545 0.197,546 3.556,547 1.847,548 1.779,549 0.934,550 0.696,551 0.635,552 0.349,553 0.263,554 23949,555 56104,556 2.137,557 45.5,558 3,559 22,560 1,561 2,562 2,567 1.769,568 2.038,569 3.996,570 0.148,577 101.608,578 1.54,579 3.627,580 4.748,581 5.241,582 5.446,583 5.446,584 3.51,585 4.649,586 5.137,587 4.174,588 2629.52,589 9.002,590 45020.9,595 398.93,596 1.256,597 5.118,598 0.188,599 0.006,600 0.065,601 0.035,602 0.038,603 0.019,604 0.015,605 0.015,606 0.009,607 0.007,608 0.396,609 0.17,610 0.75,611 0.442,612 201.777,613 -0.023,614 -0.183,615 0.073,616 -0.017,617 -0.025,618 0.008,619 0.017,620 0.069,621 0.045,622 0.057,623 0.085,624 0.067,625 -0.093,626 -0.138,627 -0.136,628 -0.159,629 0.003,630 -0.182,631 0.029,632 -0.016,633 0.082,634 0.03,635 0.076,636 0.014,637 -0.053,638 0.147,639 0.193,640 0.243,641 0.016,642 0.266,643 0.04,644 -0.031,645 -0.178,646 -0.164,647 -0.035,648 -0.156,649 0.046,650 0.015,651 -0.012,652 0.003,653 -0.014,654 0.026,655 0.039,656 -0.039,657 0.045,658 -0.014,659 -0.003,660 -0.007,661 1.788,662 5.903,663 0.806,664 51.028,665 0.994,666 1.123,667 3.124,668 9.76,669 0.686,670 3.714,671 4.025,672 4.263,673 4.489,674 4.71,675 4.718,676 4.844,677 4.977,678 5.043,679 5.142,680 9.392,681 0.642,682 498.71,683 3.714,684 5.252,685 6.089,686 6.95,687 7.799,688 8.661,689 9.516,690 10.378,691 11.235,692 12.098,693 9.1,696 2,700 1,701 1,703 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 6,797 1,798 1,809 1,815 1,816 4,839 2,843 5,845 1,847 2,851 36,858 5,860 2,864 2,868 1,874 1.5,877 1,881 17.667,882 12.383,883 7.833,884 3.857,886 4.188,887 1.501,888 1.011,889 7.711,890 12.546,891 3.98,892 4.551,893 5.082,894 5.617,895 6.097,896 6.281,897 6.643,898 7.001,899 7.329,900 7.661,901 1,902 53,903 13.307,905 5.595,906 7.565,907 25.904,909 21.283,911 2.065,912 74.333,916 329.591,917 196.276,918 75.841,920 25.145,922 31.278,923 164.998,924 354.736,925 75.841,926 17.222,927 28.539,928 92.935,929 86.963,930 63.868,931 11.771,932 325.555,934 329.591,935 240.839,936 25.145,937 31.278,939 329.591,940 25.145,943 82.976,944 124.292,945 33.571,946 31.278,947 329.591,948 100.986,949 196.276,952 329.591,953 68.024,954 134.5,955 36.022,956 58.716,957 329.591,958 100.986,959 196.276,961 0.581,962 0.331,963 0.172,964 0.097,965 26,966 11,967 0.1,968 7,970 1,971 4.888,972 331.774,974 29,975 178.117,977 1,981 24.572,982 11.297,983 6.371,985 100.986,986 23.234,987 8.849,990 1.535,991 7.236,993 36.022,994 626.853,995 52.5,1000 12.903,1004 -0.121,1007 65.618,1008 74.102,1009 0.255,1010 0.6,1011 0.786,1012 0.867,1013 0.901,1014 0.901,1015 5.208,1016 1.928,1017 6.057,1018 6.247,1019 4.71,1020 5.239,1021 1.796,1022 6.812,1023 4.62,1024 6.393,1025 1.719,1026 7.58,1027 5.438,1028 4.205,1029 4.89,1030 0.57,1031 7.554,1032 4.092,1033 7.676,1034 1.414,1035 9.195,1036 4.299,1037 6.26,1038 7.355,1039 1.605,1040 10.608,1041 6.097,1042 8.99,1043 1.265,1044 10.863,1045 3.631,1046 6.553,1047 7.817,1048 0.581,1049 12.146,1050 6.372,1051 10.333,1052 1.058,1053 12.565,1054 3.363,1055 8.054,1056 9.736,1057 1.567,1058 14.684,1059 7.834,1060 11.696,1061 1,1062 14.29,1063 2.587,1064 8.721,1065 10.592,1066 0.515,1067 16.567,1068 8.486,1069 13.075,1070 1,1071 16.03,1072 2.275,1073 9.983,1074 12.258,1075 1.582,1076 18.907,1077 9.714,1078 2.973,1079 1,1080 17.783,1081 2.275,1082 10.841,1083 13.328,1084 0.441,1085 20.953,1086 10.556,1087 2.885,1088 9.294,1089 19.546,1090 2.136,1091 11.991,1092 14.86,1093 1.624,1094 23.211,1095 11.676,1096 2.797,1097 8.965,1098 21.316,1099 3.988,1100 12.947,1101 16.052,1102 0.373,1103 25.337,1104 12.614,1105 2.657,1106 8.625,1107 23.091,1108 3.88,1109 14.047,1110 17.51,1111 1.682,1112 27.561,1113 13.686,1114 2.386,1115 7.698,1116 24.873,1117 3.759,1118 15.054,1119 18.772,1120 0.314,1121 29.726,1122 14.672,1123 2.311,1124 6.852,1125 26.658,1126 3.253,1127 16.131,1128 20.189,1129 1.752,1130 31.937,1131 15.723,1132 2.123,1133 6.481,1134 28.447,1135 3.117,1136 17.165,1137 21.494,1138 0.264,1139 34.122,1140 16.734,1141 22116,1142 34149,1143 27.334,1144 45.273,1145 60.044,1146 60.427,1147 60.336,1148 59.378,1149 59.424,1150 77.22,1151 6.694,1152 166.135,1153 56.659,1154 5.332,1155 5.573,1156 6.001,1157 5.046,1158 4.973,1159 6.988,1160 2.117,1161 15.614,1162 4.887,1163 14.416,1164 1.501,1165 1.511,1166 1.508,1167 1.484,1168 1.486,1169 1.93,1170 0.167,1171 4.153,1172 1.416,1173 4.027,1174 4.062,1175 4.233,1176 3.955,1177 7.429,1178 3.943,1179 3.942,1180 3.977,1181 3.933,1182 3.88,1183 4.977,1184 3.865,1185 3.89,1186 3.928,1187 3.835,1188 3.821,1189 4.798,1190 3.816,1191 3.794,1192 3.855,1193 3.742,1194 3.604,1195 4.711,1196 3.614,1197 3.634,1198 3.667,1199 3.683,1200 3.589,1201 4.654,1202 3.535,1203 3.41,1204 3.465,1205 3.336,1206 3.213,1207 4.378,1208 3.233,1209 3.241,1210 3.334,1211 3.081,1212 3.036,1213 4.033,1214 3.029,1215 3.111,1216 3.206,1217 2.911,1218 2.941,1219 3.913,1220 2.91,1221 0.108,1222 0.089,1223 0.155,1224 0.098,1225 0.074,1226 4.332,1227 0.1,1228 3.573,1229 0.026,1230 6.199,1231 0.232,1232 3.932,1233 0.072,1234 2.973,1235 3.988,1236 1.058,1237 9.294,1238 2.887,1239 1.953,1240 1.927,1241 2.065,1242 2.068,1243 1.323,1244 2.07,1245 1.903,1246 1.874,1247 2.02,1248 2.021,1249 1.16,1250 2.023,1251 1.847,1252 1.814,1253 1.951,1254 1.963,1255 1.125,1256 1.962,1257 1.752,1258 1.681,1259 1.947,1260 1.937,1261 0.997,1262 1.947,1263 1.352,1264 1.319,1265 1.591,1266 1.595,1267 0.825,1268 1.589,1269 1.3,1270 1.283,1271 1.547,1272 1.491,1273 0.735,1274 1.504,1275 1.254,1276 1.198,1277 1.513,1278 1.466,1279 0.619,1280 1.461,1281 1.22,1282 1.134,1283 1.398,1284 1.376,1285 0.559,1286 1.429,1287 4.394,1289 5.707,1290 2.398,1291 7.201,1292 4.595,1293 8.771,1294 6.581,1295 10.379,1297 4.194,1303 5.273,1305 6.421,1309 4.81,1314 42.352,1315 101.608,1316 239.381,1317 313.381,1318 345.91,1319 359.42,1320 359.42,1321 53.723,1322 8.358,1323 73.39,1324 101.63,1325 29,1326 12.647,1327 4.644,1328 3.755,1329 54.839,1330 202,1331 216,1332 0.127,1333 263.153,1334 449.18,1335 633.854,1336 63861,1338 24.907,1339 0.692,1340 0.594,1341 25.261,1342 21.386,1343 17.53,1344 0.438,1345 0.324,1346 12.011,1347 16.537,1348 11.568,1349 9.629,1350 17.984,1351 12.961,1352 15.845,1353 0.288,1354 0.182,1355 16.422,1356 10.023,1357 13.209,1358 0.189,1359 0.102,1360 13.848,1361 7.174,1362 10.592,1363 0.12,1364 0.056,1365 11.326,1366 4.889,1367 8.735,1368 0.079,1369 0.032,1370 9.366,1371 3.524,1372 0.209,1373 113.333,1374 0.191,1375 33.937,1376 0.326,1377 190,1378 491.842,1379 227.044,1380 508.434,1381 702.74,1382 478,1383 220,1384 505.346,1385 253.356,1386 534.756,1387 775.35,1388 500,1389 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 20,237 1,238 2,243 6,246 19,249 1,250 5,258 12,264 7,267 2,272 3,276 2470,277 24.499,278 24.499,279 24.499,280 24.499,281 24.499,282 21.627,283 26.138,284 14.482,285 24.952,286 19.744,287 19.744,288 19.744,289 19.744,290 19.744,291 15.418,292 36.272,293 6.91,294 20.467,295 4.598,296 2.6,297 1.72,298 0.972,299 0.709,300 0.709,301 4.321,306 1,307 1121,308 3.937,311 90.437,312 513.421,315 169.554,319 2.179,320 27.518,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 76.5,332 509,333 4.707,334 3.757,335 6.985,336 4.271,337 3.294,338 4.626,339 1.989,340 11.89,341 3.219,342 4.238,343 3.412,344 6.342,345 3.919,346 2.962,347 3.835,348 0.835,349 9.444,350 2.832,351 4.139,352 2.936,353 6.132,354 3.722,355 2.746,356 3.642,357 0.8,358 8.965,359 2.683,360 3.821,361 2.898,362 5.49,363 3.546,364 2.61,365 3.167,366 0.6,367 7.348,368 2.458,369 3.605,370 2.71,371 5.401,372 3.371,373 2.4,374 3.006,375 0.543,376 6.867,377 2.306,378 3.553,379 2.444,380 5.322,381 3.11,382 2.14,383 2.712,385 6.439,386 2.079,387 3.347,388 2.365,389 5.01,390 3.045,391 2.109,392 2.537,394 5.9,395 1.977,396 3.205,397 2.27,398 4.795,399 2.777,400 1.822,401 2.432,403 5.119,404 1.724,405 3.016,406 1.915,407 4.77,408 2.698,409 1.732,410 2.213,412 4.998,413 1.659,414 2.96,415 1.566,416 4.279,417 2.5,418 1.51,419 1.984,421 3.765,422 1.492,423 2.83,424 1.396,425 3.612,426 2.339,427 1.354,428 1.982,430 2.934,431 1.329,432 2.564,433 1.327,434 3.548,435 2.019,436 1.04,437 1.524,439 2.583,440 1.015,441 2.5,442 1.146,443 3.526,444 2,445 1,446 1.5,448 2.275,449 1,450 2.5,451 1.117,452 3.414,453 2,454 1,455 1.5,457 2.275,458 1,459 2.064,460 1,461 3.414,462 1.967,463 1,464 1,466 2.136,467 0.965,468 17.167,469 0.477,470 0.853,471 0.024,472 48.25,473 1.34,474 24.5,475 0.681,476 23.75,477 0.66,478 30.662,479 0.852,480 38.033,481 0.568,482 40.849,483 1.135,484 9.805,485 0.272,486 7.686,487 0.213,488 0.097,490 0.332,496 0.878,497 1.391,498 0.825,499 1.08,500 0.734,501 0.966,502 0.94,503 1.047,504 0.906,505 0.863,506 0.574,507 0.858,508 1.059,509 1.034,510 1.051,511 1.027,512 0.964,513 1.03,514 0.91,515 1.088,516 0.935,517 1.062,518 0.993,519 1.013,520 1.435,521 0.779,522 0.875,523 0.728,524 1.506,525 0.729,526 1.401,527 1.029,528 1.141,529 1.047,530 1.583,531 1.068,532 0.829,533 1.04,534 1.031,535 1.092,536 0.783,537 1.09,538 0.866,539 0.931,540 1.045,541 1.013,542 0.914,543 1.048,544 6.5,545 0.231,546 4,547 2.729,548 2.178,549 1.427,550 0.791,551 0.415,552 0.41,553 0.335,554 20863,555 47913,556 2.12,557 46.3,559 29,562 2,567 1.774,568 2,569 3.681,570 0.121,577 98.357,578 1.468,579 3.466,580 4.346,581 5.094,582 5.357,583 5.357,584 3.155,585 4.649,586 5.14,587 3.925,588 2473.04,589 9.034,590 39940,595 406.428,596 1.352,597 5.109,598 0.162,599 0.007,600 0.071,601 0.047,602 0.04,603 0.024,604 0.013,605 0.008,606 0.011,607 0.01,608 0.394,609 0.33,610 0.75,611 0.496,612 197.391,613 -0.04,614 -0.214,615 0.056,616 -0.047,617 -0.066,618 0.003,619 0.009,620 0.109,621 0.035,622 0.104,623 0.043,624 0.082,625 -0.033,626 0.041,627 -0.092,628 -0.046,629 -0.017,630 -0.07,631 0.058,632 -0.104,633 0.044,634 -0.069,635 0.063,636 -0.024,637 -0.106,638 0.207,639 0.151,640 0.232,641 -0.03,642 0.229,643 -0.143,644 0.014,645 -0.174,646 -0.045,647 -0.145,648 -0.105,649 -0.012,650 -0.063,651 -0.073,652 -0.079,653 0.012,654 -0.083,655 -0.053,656 0.006,657 -0.062,658 -0.016,659 -0.096,660 -0.038,661 1.593,662 5.87,663 0.75,664 40.701,665 0.995,666 1.124,667 2.914,668 8.489,669 0.669,670 3.714,671 4.043,672 4.331,673 4.605,674 4.852,675 4.89,676 5.043,677 5.17,678 5.236,679 5.303,680 8.169,681 0.633,682 481.65,683 3.714,684 5.263,685 6.12,686 7.002,687 7.879,688 8.768,689 9.653,690 10.546,691 11.437,692 12.333,693 7.5,696 2,700 1,701 1,702 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 5,797 0.8,798 2,811 1,815 1,816 4,819 1,830 1,839 2,843 4,847 2,851 36,857 1,858 5,864 3,874 3,876 1,877 1,881 18,882 12.5,883 7.861,884 3.921,886 3.698,887 1.46,888 0.995,889 7.19,890 11.742,891 3.989,892 4.588,893 5.194,894 5.81,895 6.368,896 6.687,897 7.187,898 7.655,899 7.991,900 8.398,901 1,902 58,903 13.343,905 5.685,906 7.639,907 25.778,909 21.313,911 2.139,912 77,916 341.362,917 174.576,918 42.944,920 67.828,923 174.576,924 409.19,925 42.944,926 16.793,927 13.653,928 123.191,929 75.29,930 54.277,931 2.144,932 341.362,934 341.362,935 217.52,936 67.828,939 341.362,940 67.828,943 53.473,944 164.047,947 341.362,948 110.772,949 174.576,952 341.362,953 34.592,954 149.357,955 16.786,956 84.614,957 341.362,958 110.772,959 174.576,961 0.582,962 0.343,963 0.187,964 0.107,965 27,966 12,967 0.085,968 6,969 1,970 1.074,971 4.645,972 350.416,973 0.074,974 27,975 174.117,981 24.262,982 10.668,983 5.39,984 1.757,985 93.987,986 25.284,988 3.059,991 3.22,993 59.469,994 626.71,995 53,1000 12.87,1003 4.949,1004 0.752,1007 66.65,1008 75.308,1009 0.242,1010 0.571,1011 0.716,1012 0.84,1013 0.883,1014 0.883,1015 5.228,1016 1.822,1017 6.103,1018 5.9,1019 4.727,1020 5.276,1021 2.386,1022 6.919,1023 4.658,1024 6.43,1025 1.732,1026 7.663,1027 5.119,1028 4.29,1029 5.017,1030 1.803,1031 7.832,1032 4.167,1033 7.733,1034 1.51,1035 9.326,1036 4.998,1037 6.323,1038 7.469,1039 3.144,1040 10.965,1041 6.185,1042 9.072,1043 1.354,1044 11.051,1045 3.765,1046 6.723,1047 8.087,1048 3.237,1049 12.764,1050 6.54,1051 10.447,1052 1.04,1053 12.817,1054 2.934,1055 8.215,1056 9.999,1057 4.307,1058 15.426,1059 8.017,1060 11.848,1061 1,1062 14.613,1063 2.583,1064 9.009,1065 11.061,1066 4.691,1067 17.605,1068 8.776,1069 13.271,1070 1,1071 16.432,1072 2.275,1073 10.286,1074 12.742,1075 5.594,1076 20.119,1077 10.036,1078 3.294,1079 1,1080 18.269,1081 2.275,1082 11.273,1083 14.035,1084 6.118,1085 22.463,1086 10.995,1087 2.962,1088 11.89,1089 20.121,1090 2.136,1091 12.467,1092 15.615,1093 6.925,1094 24.935,1095 12.171,1096 2.746,1097 9.444,1098 21.985,1099 4.626,1100 13.547,1101 17.026,1102 7.524,1103 27.349,1104 13.226,1105 2.61,1106 8.965,1107 23.86,1108 3.835,1109 14.714,1110 18.566,1111 8.277,1112 29.812,1113 14.374,1114 2.4,1115 7.348,1116 25.744,1117 3.642,1118 15.838,1119 20.036,1120 8.915,1121 32.257,1122 15.477,1123 2.14,1124 6.867,1125 27.635,1126 3.167,1127 17.001,1128 21.562,1129 9.639,1130 34.721,1131 16.619,1132 2.109,1133 6.439,1134 29.533,1135 3.006,1136 18.149,1137 23.06,1138 10.3,1139 37.181,1140 17.747,1141 19451,1142 29678,1143 27.046,1144 44.836,1145 60.927,1146 61.273,1147 61.936,1148 60.111,1149 59.98,1150 78.56,1151 9.532,1152 172.334,1153 57.922,1154 5.707,1155 5.757,1156 6.787,1157 5.338,1158 5.294,1159 7.626,1160 3.465,1161 19.314,1162 5.219,1163 16.344,1164 1.523,1165 1.532,1166 1.548,1167 1.503,1168 1.5,1169 1.964,1170 0.238,1171 4.308,1172 1.448,1173 4.148,1174 4.176,1175 4.116,1176 4.064,1177 7.427,1178 4.073,1179 3.951,1180 3.992,1181 3.895,1182 3.862,1183 6.473,1184 3.864,1185 3.866,1186 3.916,1187 3.795,1188 3.796,1189 4.953,1190 3.791,1191 3.83,1192 3.881,1193 3.724,1194 3.639,1195 4.806,1196 3.651,1197 3.545,1198 3.6,1199 3.462,1200 3.347,1201 4.708,1202 3.363,1203 3.434,1204 3.477,1205 3.352,1206 3.286,1207 4.398,1208 3.3,1209 3.248,1210 3.348,1211 3.122,1212 3.014,1213 4.323,1214 3.029,1215 3.128,1216 3.206,1217 2.998,1218 2.941,1219 4.131,1220 2.934,1221 0.118,1222 0.094,1223 0.175,1224 0.107,1225 0.082,1226 4.707,1227 0.116,1228 3.757,1229 0.05,1230 6.985,1231 0.297,1232 4.271,1233 0.08,1234 3.294,1235 4.626,1236 1.989,1237 11.89,1238 3.219,1239 1.975,1240 1.953,1241 2.062,1242 2.061,1243 1.307,1244 2.061,1245 1.901,1246 1.872,1247 2.011,1248 2.028,1249 1.181,1250 2.029,1251 1.864,1252 1.835,1253 1.997,1254 1.991,1255 1.097,1256 1.995,1257 1.783,1258 1.71,1259 1.973,1260 1.949,1261 1.06,1262 1.96,1263 1.515,1264 1.478,1265 1.689,1266 1.733,1267 0.831,1268 1.716,1269 1.444,1270 1.39,1271 1.584,1272 1.679,1273 0.825,1274 1.657,1275 1.214,1276 1.115,1277 1.561,1278 1.502,1279 0.678,1280 1.527,1281 1.153,1282 1.064,1283 1.513,1284 1.376,1285 0.643,1286 1.429,1287 4.394,1289 5.72,1290 2.398,1291 7.241,1292 4.844,1293 8.845,1294 7.034,1295 10.493,1297 3.925,1302 10.784,1303 4.209,1309 6.191,1314 42.385,1315 98.357,1316 232.217,1317 291.203,1318 341.309,1319 358.918,1320 358.918,1321 61.566,1322 8.044,1323 75.17,1324 75.17,1325 29,1326 12.859,1327 4.644,1328 3.807,1329 54.555,1330 177,1331 206,1332 0.148,1333 258.817,1334 445.76,1335 623.272,1336 36506,1338 25.07,1339 0.696,1340 0.575,1341 25.07,1342 20.685,1343 17.491,1344 0.437,1345 0.305,1346 12.052,1347 16.916,1348 11.711,1349 9.728,1350 17.491,1351 12.211,1352 15.775,1353 0.282,1354 0.166,1355 15.775,1356 9.269,1357 13.522,1358 0.18,1359 0.09,1360 13.522,1361 6.777,1362 11.163,1363 0.113,1364 0.046,1365 11.163,1366 4.555,1367 9.392,1368 0.074,1369 0.026,1370 9.392,1371 3.272,1372 0.236,1373 108.85,1374 0.192,1375 33.139,1376 0.396,1377 192,1378 496.799,1379 206.781,1380 490.006,1381 679.96,1382 460,1383 227,1384 507.779,1385 243.115,1386 520.327,1387 761.28,1388 489,1389 7.42}
{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 10,237 3,238 8,243 5,246 2,249 1,250 7,255 1,258 5,263 1,264 5,267 2,269 1,272 8,276 5294,277 31.349,278 31.349,279 31.349,280 31.349,281 31.349,282 28.666,283 42.521,284 18.361,285 32.28,286 25.074,287 25.074,288 25.074,289 25.074,290 25.074,291 20.775,292 55.757,293 8.624,294 26.493,295 4.69,296 2.354,297 1.034,298 0.546,299 0.521,300 0.521,301 4.557,306 1,307 2039,308 4.743,309 97.418,312 820.877,316 247.167,319 3.28,320 71.18,323 0.75,324 0.33,325 0.67,326 0.9,327 1,328 0.67,329 0.5,330 0.69,331 103,332 930,333 4.765,334 4.332,335 7.978,336 4.682,337 3.677,338 4.513,339 2.166,340 15.051,341 3.692,342 4.577,343 3.406,344 6.59,345 4.103,346 3.14,347 3.952,348 1.722,349 10.546,350 3.025,351 4.245,352 3.365,353 6.116,354 3.817,355 2.874,356 3.864,357 1.013,358 8.963,359 2.705,360 3.982,361 3.227,362 6.003,363 3.591,364 2.634,365 3.488,366 0.86,367 8.521,368 2.529,369 3.963,370 3.11,371 5.567,372 3.565,373 2.618,374 3.267,375 0.86,376 7.375,377 2.452,378 3.605,379 2.927,380 5.387,381 3.435,382 2.519,383 2.926,384 0.86,385 6.965,386 2.305,387 3.521,388 2.883,389 5.34,390 3.248,391 2.299,392 2.757,393 0.86,394 6.956,395 2.17,396 3.409,397 2.606,398 5.181,399 3.073,400 2.134,401 2.522,402 0.8,403 6.095,404 1.989,405 3.3,406 2.406,407 5.063,408 2.932,409 1.989,410 2.393,411 0.215,412 5.845,413 1.867,414 3.101,415 2.35,416 4.848,417 2.685,418 1.751,419 2.241,420 0.109,421 4.758,422 1.664,423 3.025,424 2.313,425 4.569,426 2.645,427 1.642,428 2.144,430 4.565,431 1.587,432 2.834,433 2.232,434 4.535,435 2.48,436 1.553,437 1.966,439 3.9,440 1.453,441 2.786,442 2.156,443 4.146,444 2.451,445 1.431,446 1.805,448 3.633,449 1.435,450 2.746,451 1.808,452 3.928,453 2.366,454 1.417,455 1.734,457 3.371,458 1.33,459 2.581,460 1.501,461 3.7,462 2.285,463 1.386,464 1.587,466 3.127,467 1.232,468 21.171,469 0.46,470 1.089,471 0.024,472 54.75,473 1.19,474 24,475 0.522,476 30.75,477 0.668,478 46.072,479 1.002,480 51.429,481 0.627,482 51.461,483 1.119,484 10.944,485 0.238,486 11.396,487 0.248,488 0.082,489 0.024,490 0.302,491 1,494 1,496 0.714,497 1.192,498 0.719,499 1.181,500 0.549,501 0.995,502 0.996,503 1.092,504 0.902,505 1.042,506 0.696,507 0.963,508 1.116,509 1.072,510 0.971,511 1,512 1.01,513 0.948,514 1.028,515 0.842,516 1.059,517 0.958,518 1.04,519 1.004,520 0.853,521 0.804,522 0.834,523 0.894,524 0.885,525 0.874,526 0.983,527 1.11,528 0.982,529 1.127,530 0.916,531 1.077,532 1.027,533 1.04,534 1.021,535 0.983,536 0.994,537 0.998,538 0.994,539 1.073,540 0.953,541 1.007,542 1.061,543 0.97,544 10,545 0.396,546 5,547 3.201,548 2.874,549 1.626,550 1.044,551 0.959,552 0.6,553 0.345,554 46200,555 129162,556 2.112,557 43.9,558 4,559 25,561 1,562 2,564 2,565 2,567 1.829,568 1.993,569 4.232,570 0.127,577 136.718,578 1.667,579 4.003,580 5.323,581 5.812,582 5.836,583 5.836,584 3.754,585 4.942,586 5.488,587 4.441,588 4596.73,589 9.714,590 94747.1,595 521.319,596 1.434,597 5.459,598 0.196,599 0.007,600 0.072,601 0.043,602 0.044,603 0.024,604 0.015,605 0.015,606 0.01,607 0.006,608 0.432,609 0.33,610 0.5,611 0.588,612 277.171,613 -0.044,614 -0.128,615 0.054,616 -0.078,617 -0.027,618 -0.001,619 -0.088,620 -0.08,621 -0.007,622 -0.023,623 -0.006,624 0.001,625 -0.057,626 -0.054,627 -0.001,628 -0.021,629 -0.033,630 0.005,631 -0.019,632 0.095,633 -0.083,634 0.01,635 0.009,636 -0.042,637 0.027,638 0.071,639 0.13,640 0.115,641 -0.009,642 0.142,643 -0.024,644 -0.144,645 -0.035,646 -0.104,647 0.03,648 -0.082,649 0.01,650 -0.055,651 -0.022,652 -0.012,653 0.029,654 -0.026,655 0.037,656 0.001,657 0.052,658 -0.023,659 0.03,660 0.013,661 2.507,662 7.243,663 0.674,664 81.323,665 1.017,666 1.134,667 1.816,668 3.297,669 0.653,670 3.951,671 4.29,672 4.554,673 4.771,674 4.984,675 5.05,676 5.159,677 5.318,678 5.451,679 5.472,680 11.185,681 0.635,682 634.74,683 3.951,684 5.509,685 6.372,686 7.256,687 8.137,688 9.029,689 9.92,690 10.817,691 11.714,692 12.617,693 4.9,696 1,700 2,703 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 4,797 0.833,798 6,809 1,813 1,816 5,820 1,829 2,834 4,839 1,842 1,843 5,847 1,849 2,851 46,858 10,860 2,861 4,863 1,864 1,865 1,873 2,874 7.3,877 2,878 1,879 3,881 23.083,882 14.852,883 10.111,884 4.986,886 3.889,887 1.434,888 0.978,889 10.07,890 12.846,891 4.167,892 4.727,893 5.264,894 5.791,895 6.328,896 6.629,897 7.005,898 7.429,899 7.833,900 8.028,901 0.929,902 75,903 17.28,905 7.691,906 7.933,907 32.375,909 27.057,911 2.433,912 111.917,916 400.217,917 187.363,918 55.931,920 94.289,921 29.92,923 187.363,924 494.507,925 85.852,926 10.883,927 68.433,928 85.286,929 102.012,930 82.74,931 29.92,932 388.446,934 400.217,935 243.294,936 124.21,939 383.053,940 130.374,941 11,943 82.749,944 112.574,945 47.971,947 430.138,948 150.221,949 187.363,952 402.397,953 79.967,954 108.341,955 36.022,956 140.995,957 400.217,958 180.141,959 187.363,961 0.583,962 0.341,963 0.178,964 0.094,965 34,966 15,967 0.138,968 12,969 1,970 1.065,971 5.607,972 473.184,973 0.065,974 31,975 245.329,981 32.235,982 14.37,983 7.822,984 1.186,985 180.141,986 10.76,987 4.438,991 0.821,993 36.022,994 767.721,995 63.5,1000 25.921,1002 4.417,1004 -0.552,1007 83.418,1008 92.987,1009 0.262,1010 0.63,1011 0.837,1012 0.914,1013 0.918,1014 0.918,1015 5.435,1016 2.134,1017 6.372,1018 6.956,1019 4.977,1020 5.416,1021 3.133,1022 7.223,1023 4.881,1024 6.64,1025 1.989,1026 7.964,1027 6.095,1028 4.691,1029 5.301,1030 2.221,1031 8.48,1032 4.586,1033 7.965,1034 1.751,1035 9.674,1036 5.845,1037 6.655,1038 7.585,1039 3.91,1040 11.566,1041 6.505,1042 9.326,1043 1.642,1044 11.464,1045 4.758,1046 7.223,1047 8.289,1048 3.846,1049 13.783,1050 7.094,1051 10.725,1052 1.553,1053 13.313,1054 4.565,1055 8.695,1056 10.089,1057 5.098,1058 16.534,1059 8.54,1060 12.15,1061 1.431,1062 15.208,1063 3.9,1064 9.656,1065 11.176,1066 5.417,1067 19.092,1068 9.534,1069 13.597,1070 1.417,1071 17.141,1072 3.633,1073 10.965,1074 12.784,1075 6.463,1076 21.793,1077 10.84,1078 3.677,1079 1.386,1080 19.104,1081 3.371,1082 12.105,1083 14.063,1084 6.969,1085 24.456,1086 12.008,1087 3.14,1088 15.051,1089 21.091,1090 3.127,1091 13.373,1092 15.591,1093 7.905,1094 27.156,1095 13.286,1096 2.874,1097 10.546,1098 23.098,1099 4.513,1100 14.591,1101 16.967,1102 8.515,1103 29.85,1104 14.527,1105 2.634,1106 8.963,1107 25.12,1108 3.952,1109 15.857,1110 18.463,1111 9.386,1112 32.555,1113 15.807,1114 2.618,1115 8.521,1116 27.154,1117 3.864,1118 17.112,1119 19.892,1120 10.059,1121 35.26,1122 17.08,1123 2.519,1124 7.375,1125 29.197,1126 3.488,1127 18.385,1128 21.378,1129 10.891,1130 37.968,1131 18.367,1132 2.299,1133 6.965,1134 31.248,1135 3.267,1136 19.659,1137 22.835,1138 11.602,1139 40.677,1140 19.655,1141 42766,1142 71800,1143 34.383,1144 53.569,1145 76.341,1146 79.08,1147 78.836,1148 75.474,1149 75.53,1150 93.03,1151 18.932,1152 220.144,1153 71.614,1154 5.765,1155 6.332,1156 7.78,1157 5.786,1158 5.677,1159 7.513,1160 3.858,1161 22.84,1162 5.692,1163 21.761,1164 1.497,1165 1.551,1166 1.546,1167 1.48,1168 1.481,1169 1.824,1170 0.371,1171 4.317,1172 1.404,1173 4.096,1174 4.115,1175 4.064,1176 4.003,1177 8.201,1178 4.015,1179 4.005,1180 4.033,1181 3.951,1182 3.895,1183 8.191,1184 3.903,1185 3.882,1186 3.913,1187 3.835,1188 3.789,1189 7.443,1190 3.794,1191 3.836,1192 3.882,1193 3.758,1194 3.744,1195 7.413,1196 3.741,1197 3.818,1198 3.868,1199 3.696,1200 3.61,1201 5.071,1202 3.621,1203 3.572,1204 3.609,1205 3.487,1206 3.392,1207 4.773,1208 3.408,1209 3.444,1210 3.489,1211 3.3,1212 3.278,1213 4.662,1214 3.273,1215 3.246,1216 3.3,1217 3.193,1218 2.971,1219 4.624,1220 3.009,1221 0.093,1222 0.085,1223 0.156,1224 0.092,1225 0.072,1226 4.765,1227 0.088,1228 4.332,1229 0.042,1230 7.978,1231 0.295,1232 4.682,1233 0.072,1234 3.677,1235 4.513,1236 2.166,1237 15.051,1238 3.692,1239 2.021,1240 2.007,1241 2.076,1242 2.124,1243 1.292,1244 2.109,1245 1.868,1246 1.844,1247 1.998,1248 2,1249 1.207,1250 1.997,1251 1.852,1252 1.817,1253 1.976,1254 1.992,1255 1.203,1256 1.991,1257 1.755,1258 1.692,1259 1.946,1260 1.973,1261 1.07,1262 1.966,1263 1.524,1264 1.49,1265 1.779,1266 1.749,1267 1.047,1268 1.756,1269 1.492,1270 1.469,1271 1.621,1272 1.702,1273 0.836,1274 1.664,1275 1.41,1276 1.368,1277 1.577,1278 1.622,1279 0.825,1280 1.619,1281 1.158,1282 1.087,1283 1.513,1284 1.432,1285 0.825,1286 1.448,1287 4.635,1288 1.946,1289 5.969,1290 3.932,1291 7.506,1292 5.938,1293 9.137,1294 7.917,1295 10.818,1297 1.547,1299 28.582,1303 6.493,1305 5.345,1306 22.96,1308 -1.089,1309 2.344,1310 -1.257,1314 52.097,1315 136.718,1316 328.286,1317 436.525,1318 476.564,1319 478.564,1320 478.564,1321 123.444,1322 8.957,1323 111.25,1324 111.25,1325 33,1326 13.139,1327 4.459,1328 3.755,1329 71.162,1330 309,1331 328,1332 0.109,1333 310.972,1334 567.1,1335 750.532,1336 132058,1337 2.4,1338 32.097,1339 0.698,1340 0.555,1341 30.357,1342 25.522,1343 22.341,1344 0.438,1345 0.301,1346 15.063,1347 21.133,1348 14.836,1349 12.11,1350 21.536,1351 15.369,1352 20.088,1353 0.279,1354 0.16,1355 18.936,1356 11.493,1357 17.005,1358 0.181,1359 0.086,1360 16.135,1361 8.051,1362 13.747,1363 0.117,1364 0.045,1365 13.212,1366 5.31,1367 10.793,1368 0.074,1369 0.024,1370 10.293,1371 3.49,1372 0.179,1373 142.653,1374 0.171,1375 41.253,1376 0.279,1377 246,1378 886.591,1379 279.508,1380 775.37,1381 1032.91,1382 728,1383 292,1384 729.6,1385 326.08,1386 717.558,1387 1060.64,1388 676,1389 5}
{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 2,237 1,238 10,240 1,241 1,243 3,246 3,248 3,249 1,250 9,255 4,258 3,260 4,263 2,264 5,269 2,272 6,274 2,276 2898,277 25.004,278 25.004,279 25.004,280 25.004,281 25.004,282 22.511,283 33.041,284 14.351,285 25.903,286 20.743,287 20.743,288 20.743,289 20.743,290 20.743,291 16.823,292 41.717,293 6.836,294 22.329,295 4.263,296 2.175,297 1.228,298 0.834,299 0.61,300 0.58,301 4.366,306 1,307 1148,308 4.416,311 194.633,312 371.666,315 164.75,319 2.316,320 56.813,323 0.75,324 0.83,325 0.83,326 0.7,327 0.5,328 0.83,329 1,330 0.78,331 85,332 532,333 4.641,334 4.473,335 7.279,336 4.289,337 3.398,338 4.57,339 3.825,340 12.394,341 3.083,342 4.564,343 3.584,344 6.752,345 4.148,346 3.222,347 4.074,348 1.151,349 11.077,350 3.001,351 4.366,352 3.267,353 6.444,354 3.923,355 2.981,356 4.014,357 0.98,358 9.953,359 2.789,360 3.838,361 3.225,362 6.05,363 3.607,364 2.677,365 3.216,366 0.916,367 8.522,368 2.496,369 3.782,370 3.022,371 5.72,372 3.539,373 2.63,374 2.938,375 0.8,376 7.828,377 2.321,378 3.633,379 2.775,380 5.539,381 3.337,382 2.388,383 2.921,384 0.172,385 7.312,386 2.254,387 3.462,388 2.627,389 5.128,390 3.146,391 2.198,392 2.547,394 6.312,395 2.077,396 3.294,397 2.37,398 4.984,399 2.9,400 1.96,401 2.495,403 5.529,404 1.819,405 3.084,406 2.151,407 4.799,408 2.821,409 1.894,410 2.288,412 5.413,413 1.746,414 3.007,415 1.983,416 4.636,417 2.657,418 1.68,419 2.051,421 4.546,422 1.63,423 2.875,424 1.499,425 4.485,426 2.366,427 1.424,428 2.006,430 4.055,431 1.331,432 2.607,433 1.349,434 3.975,435 2.134,436 1.18,437 1.65,439 3.021,440 1.106,441 2.583,442 1.314,443 3.794,444 2.061,445 1.131,446 1.617,448 2.833,449 1.043,450 2.384,451 1.146,452 3.585,453 1.967,454 1,455 1.313,457 2.461,458 0.965,459 2.256,460 1.109,461 3.529,462 1.941,463 0.985,464 1.128,466 2.275,467 0.933,468 17.857,469 0.47,470 1.248,471 0.033,472 45.5,473 1.197,474 20,475 0.526,476 25.5,477 0.671,478 38.98,479 1.026,480 42.143,481 0.639,482 41.255,483 1.086,484 9.07,485 0.239,486 9.027,487 0.238,488 0.145,489 0.028,490 0.347,493 3,496 0.645,497 1.117,498 0.69,499 1.031,500 0.599,501 0.946,502 0.627,503 0.744,504 0.742,505 0.8,506 0.348,507 0.791,508 0.77,509 0.936,510 0.928,511 1.116,512 0.563,513 1.062,514 0.724,515 1.043,516 0.924,517 1.13,518 0.677,519 1.052,520 0.993,521 0.888,522 0.968,523 0.85,524 0.963,525 0.877,526 1.134,527 0.996,528 1.215,529 1.072,530 1.136,531 1.034,532 0.789,533 0.914,534 1.018,535 1.049,536 0.751,537 0.934,538 1.024,539 1.203,540 1.046,541 1.221,542 1.051,543 1.067,544 9.5,545 0.344,546 4.889,547 3.326,548 2.541,549 1.379,550 1.061,551 0.966,552 0.688,553 0.423,554 22818,555 68915,556 2.059,557 42.4,559 22,561 1,562 2,564 3,567 1.789,568 1.892,569 3.737,570 0.201,577 117.578,578 1.781,579 3.87,580 4.817,581 5.211,582 5.434,583 5.465,584 3.249,585 4.86,586 5.218,587 3.944,588 2772.43,589 9.202,590 45852.4,595 398.93,596 1.636,597 5.156,598 0.226,599 0.008,600 0.079,601 0.054,602 0.041,603 0.023,604 0.019,605 0.016,606 0.012,607 0.009,608 0.487,609 0.17,610 0.75,611 0.811,612 210.842,613 -0.048,614 -0.132,615 0.053,616 -0.025,617 -0.086,618 0.006,619 0.257,620 0.285,621 0.153,622 0.179,623 0.405,624 0.141,625 -0.05,626 -0.086,627 0.001,628 -0.093,629 0.006,630 -0.074,631 0.067,632 -0.15,633 0.072,634 -0.091,635 0.054,636 -0.023,637 0.062,638 0.101,639 0.062,640 0.152,641 0.009,642 0.119,643 -0.147,644 0.034,645 -0.139,646 0.008,647 -0.137,648 -0.038,649 -0.043,650 -0.083,651 0.029,652 -0.008,653 0.005,654 0.055,655 -0.082,656 -0.212,657 0.026,658 -0.173,659 -0.084,660 -0.104,661 5.78,662 5.548,663 0.684,664 45.186,665 1.019,666 1.14,667 3.366,668 11.329,669 0.671,670 3.761,671 4.143,672 4.407,673 4.7,674 4.92,675 5.017,676 5.198,677 5.38,678 5.529,679 5.642,680 8.21,681 0.647,682 543.67,683 3.761,684 5.342,685 6.205,686 7.111,687 7.993,688 8.9,689 9.792,690 10.7,691 11.597,692 12.506,693 7.6,696 2,700 1,701 1,703 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 5,797 0.8,798 2,815 2,816 3,819 1,839 2,843 4,845 1,847 2,849 3,851 38,852 1,858 5,861 1,863 1,864 2,865 1,869 1,873 3,874 3,877 1,879 1,881 20.083,882 12.395,883 8.028,884 3.861,886 4.1,887 1.47,888 1.007,889 7.607,890 12.823,891 3.998,892 4.625,893 5.222,894 5.841,895 6.335,896 6.727,897 7.193,898 7.658,899 8.009,900 8.375,901 1,902 62,903 14.647,905 6.863,906 8.037,907 26.503,909 22.211,911 2.537,912 96.417,916 306.049,917 177.297,918 57.83,920 36.145,921 44.88,922 31.278,923 146.019,924 342.193,925 102.711,926 17.222,927 43.426,928 75.81,929 67.025,930 81.902,931 3.503,932 325.555,933 7.76,934 306.049,935 203.85,936 81.025,937 31.278,939 270.735,940 116.338,943 79.85,944 107.214,945 16.786,946 31.278,947 350.929,948 93.975,949 177.297,952 313.808,953 67.887,954 109.798,956 130.708,957 306.049,958 138.856,959 177.297,961 0.599,962 0.341,963 0.184,964 0.102,965 31,966 15,967 0.1,968 7,969 1,970 1.077,971 4.667,972 384.094,973 0.077,974 26,975 190.666,977 1,981 26.826,982 10.776,983 5.817,984 1.645,985 136.956,986 14.639,987 4.491,990 1.114,991 1.236,992 1.848,993 32.897,994 622.201,995 53.5,1000 12.25,1004 -0.715,1007 67.265,1008 75.247,1009 0.295,1010 0.64,1011 0.797,1012 0.862,1013 0.899,1014 0.904,1015 5.279,1016 1.96,1017 6.24,1018 6.312,1019 4.828,1020 5.313,1021 3.328,1022 7.111,1023 4.686,1024 6.512,1025 1.894,1026 7.843,1027 5.529,1028 4.635,1029 5.247,1030 3.919,1031 8.244,1032 4.355,1033 7.844,1034 1.68,1035 9.552,1036 5.413,1037 6.518,1038 7.539,1039 5.45,1040 11.307,1041 6.224,1042 9.211,1043 1.424,1044 11.324,1045 4.546,1046 7.107,1047 8.299,1048 6.691,1049 13.253,1050 6.67,1051 10.612,1052 1.18,1053 13.138,1054 4.055,1055 8.525,1056 10.107,1057 8.06,1058 15.9,1059 8.06,1060 12.036,1061 1.131,1062 14.981,1063 3.021,1064 9.449,1065 11.249,1066 9.389,1067 18.164,1068 8.855,1069 13.48,1070 1,1071 16.847,1072 2.833,1073 10.706,1074 12.865,1075 10.734,1076 20.689,1077 10.061,1078 3.398,1079 0.985,1080 18.729,1081 2.461,1082 11.777,1083 14.19,1084 12.074,1085 23.082,1086 11.019,1087 3.222,1088 12.394,1089 20.626,1090 2.275,1091 12.98,1092 15.727,1093 13.417,1094 25.575,1095 12.154,1096 2.981,1097 11.077,1098 22.534,1099 4.57,1100 14.117,1101 17.139,1102 14.758,1103 28.023,1104 13.188,1105 2.677,1106 9.953,1107 24.452,1108 4.074,1109 15.306,1110 18.645,1111 16.1,1112 30.511,1113 14.298,1114 2.63,1115 8.522,1116 26.377,1117 4.014,1118 16.473,1119 20.099,1120 17.441,1121 32.984,1122 15.368,1123 2.388,1124 7.828,1125 28.309,1126 3.216,1127 17.662,1128 21.596,1129 18.783,1130 35.475,1131 16.471,1132 2.198,1133 7.312,1134 30.247,1135 2.938,1136 18.845,1137 23.072,1138 20.124,1139 37.962,1140 17.559,1141 21602,1142 37959,1143 27.452,1144 44.296,1145 65.578,1146 64.755,1147 66.344,1148 64.856,1149 64.588,1150 81.685,1151 15.689,1152 194.998,1153 59.984,1154 5.641,1155 6.473,1156 6.957,1157 5.456,1158 5.398,1159 7.57,1160 5.335,1161 20.104,1162 5.083,1163 22.432,1164 1.561,1165 1.542,1166 1.58,1167 1.544,1168 1.538,1169 1.945,1170 0.374,1171 4.643,1172 1.428,1173 4.148,1174 4.182,1175 4.307,1176 4.061,1177 8.513,1178 4.054,1179 3.967,1180 3.99,1181 3.997,1182 3.892,1183 7.999,1184 3.893,1185 3.859,1186 3.918,1187 3.916,1188 3.834,1189 7.999,1190 3.786,1191 3.804,1192 3.824,1193 3.711,1194 3.617,1195 7.437,1196 3.629,1197 3.461,1198 3.525,1199 3.376,1200 3.279,1201 5.053,1202 3.295,1203 3.401,1204 3.46,1205 3.347,1206 3.228,1207 4.898,1208 3.217,1209 3.314,1210 3.362,1211 3.257,1212 3.01,1213 4.774,1214 3.065,1215 3.26,1216 3.334,1217 3.21,1218 3,1219 4.62,1220 3.028,1221 0.111,1222 0.107,1223 0.173,1224 0.102,1225 0.081,1226 4.641,1227 0.109,1228 4.473,1229 0.091,1230 7.279,1231 0.295,1232 4.289,1233 0.073,1234 3.398,1235 4.57,1236 3.825,1237 12.394,1238 3.083,1239 1.953,1240 1.925,1241 2.056,1242 2.069,1243 1.326,1244 2.07,1245 1.932,1246 1.911,1247 2.036,1248 2.028,1249 1.203,1250 2.028,1251 1.756,1252 1.683,1253 1.95,1254 1.961,1255 1.167,1256 1.963,1257 1.57,1258 1.554,1259 1.722,1260 1.755,1261 0.831,1262 1.733,1263 1.523,1264 1.507,1265 1.615,1266 1.7,1267 0.825,1268 1.686,1269 1.37,1270 1.309,1271 1.574,1272 1.599,1273 0.788,1274 1.606,1275 1.281,1276 1.202,1277 1.513,1278 1.54,1279 0.687,1280 1.555,1281 1.153,1282 1.064,1283 1.503,1284 1.44,1285 0.639,1286 1.429,1287 4.443,1289 5.808,1290 3.045,1291 7.349,1292 5.416,1293 8.971,1294 7.535,1295 10.636,1297 3.64,1299 40.644,1301 5.623,1303 4.865,1306 5.918,1308 -0.969,1309 4.717,1310 -4.53,1314 42.722,1315 117.578,1316 255.404,1317 317.91,1318 343.91,1319 358.665,1320 360.665,1321 88.952,1322 8.723,1323 76.62,1324 104.86,1325 28,1326 13.024,1327 4.524,1328 3.644,1329 59.042,1330 186,1331 217,1332 0.153,1333 260.212,1334 453.16,1335 626.678,1336 87950,1337 4.5,1338 27.026,1339 0.711,1340 0.575,1341 24.88,1342 21.85,1343 18.096,1344 0.431,1345 0.311,1346 12.07,1347 16.772,1348 11.729,1349 9.633,1350 17.293,1351 13.052,1352 17.739,1353 0.286,1354 0.17,1355 16.36,1356 10.535,1357 13.964,1358 0.172,1359 0.098,1360 14.135,1361 7.898,1362 11.905,1363 0.109,1364 0.052,1365 12.072,1366 5.622,1367 9.733,1368 0.072,1369 0.029,1370 9.676,1371 3.94,1372 0.241,1373 118.894,1374 0.191,1375 34.394,1376 0.415,1377 208,1378 772.557,1379 266.999,1380 683.72,1381 908,1382 636,1383 247,1384 633.799,1385 300.972,1386 638.183,1387 962.17,1388 598,1389 5}
{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 10,238 10,243 3,246 6,250 14,253 1,255 3,258 2,264 11,269 3,276 2378,277 22.955,278 22.955,279 22.955,280 22.955,281 22.955,282 21.126,283 30.676,284 13.561,285 23.298,286 18.202,287 18.202,288 18.202,289 18.202,290 18.202,291 15.135,292 33.548,293 6.375,294 18.738,295 4.541,296 2.28,297 1.065,298 0.78,299 0.72,300 0.72,301 4.253,306 1,307 976,308 4,311 110.516,312 361.297,319 2.176,320 33.048,323 1,324 0.83,325 1,326 1,327 0.5,328 1,329 1,330 0.9,331 73,332 459,333 4.442,334 4.059,335 6.555,336 4.093,337 3.103,338 4.07,339 2.035,340 10.408,341 3.073,342 4.263,343 3.737,344 6.14,345 3.856,346 2.888,347 3.881,348 1.989,349 9.02,350 2.797,351 4.009,352 3.581,353 6.076,354 3.799,355 2.834,356 3.231,357 1.058,358 8.807,359 2.732,360 3.869,361 3.199,362 5.988,363 3.628,364 2.64,365 3.101,366 0.835,367 8.479,368 2.596,369 3.782,370 2.947,371 5.315,372 3.309,373 2.331,374 3.008,375 0.543,376 6.723,377 2.271,378 3.504,379 2.54,380 5.144,381 3.113,382 2.146,383 2.706,385 6.088,386 2.095,387 3.154,388 2.514,389 4.754,390 3.013,391 2.076,392 2.16,394 5.341,395 1.924,396 3.094,397 2.393,398 4.438,399 2.579,400 1.592,401 1.903,403 4.362,404 1.565,405 2.821,406 2.238,407 4.157,408 2.544,409 1.55,410 1.825,412 3.658,413 1.539,414 2.751,415 1.685,416 3.894,417 2.188,418 1.212,419 1.733,421 3.038,422 1.17,423 2.479,424 1.656,425 3.801,426 2.068,427 1.075,428 1.29,430 2.816,431 1.057,432 2.365,433 1.462,434 3.479,435 2,436 1,437 1.264,439 2.474,440 1,441 2.343,442 1.293,443 3.414,444 2,445 1,446 1.033,448 2.275,449 1,450 2.161,451 1.077,452 3.273,453 1.984,454 1,455 1.007,457 2.136,458 0.983,459 2.052,460 1.056,461 3.247,462 1.608,463 0.682,464 1,466 1.665,467 0.629,468 16.067,469 0.473,470 0.818,471 0.024,472 40.25,473 1.184,474 18,475 0.529,476 22.25,477 0.654,478 34.026,479 1.001,480 37.333,481 0.566,482 32.335,483 0.951,484 7.5,485 0.221,486 8.94,487 0.263,488 0.129,490 0.33,496 0.737,497 1.47,498 0.845,499 1.185,500 0.485,501 1.048,502 0.754,503 1.065,504 0.905,505 0.973,506 0.45,507 0.95,508 0.685,509 0.972,510 0.988,511 1.099,512 0.697,513 1.093,514 0.918,515 1.033,516 0.895,517 1.046,518 0.942,519 0.987,520 1.375,521 0.945,522 1.05,523 0.93,524 1.293,525 0.952,526 0.818,527 1.08,528 1.022,529 1.118,530 0.611,531 1.101,532 0.777,533 1.02,534 0.96,535 1.062,536 0.67,537 1.04,538 0.936,539 0.966,540 0.94,541 0.992,542 0.909,543 0.977,544 7,545 0.205,546 4,547 1.972,548 1.722,549 1.354,550 0.843,551 0.446,552 0.441,553 0.346,554 16678,555 41855,556 2.059,557 48.5,558 9,559 16,560 1,562 2,564 4,567 1.762,568 1.925,569 3.695,570 0.177,577 99.209,578 1.503,579 3.765,580 4.98,581 5.264,582 5.325,583 5.325,584 3.257,585 4.558,586 5.051,587 3.878,588 2175.75,589 8.878,590 33647.9,595 398.93,596 1.419,597 5.016,598 0.189,599 0.006,600 0.078,601 0.038,602 0.034,603 0.027,604 0.017,605 0.009,606 0.01,607 0.009,608 0.417,609 0.33,610 0.88,611 1.096,612 182.986,613 -0.027,614 -0.21,615 0.052,616 -0.06,617 0.031,618 -0.004,619 0.073,620 0.081,621 0.04,622 0.062,623 0.077,624 0.051,625 0.173,626 0.065,627 -0.036,628 -0.058,629 0.078,630 -0.077,631 0.017,632 -0.082,633 0.079,634 -0.026,635 0.018,636 0.026,637 -0.184,638 0.035,639 -0.052,640 0.067,641 -0.113,642 0.031,644 -0.056,645 -0.07,646 -0.088,647 0.093,648 -0.088,649 -0.022,650 -0.059,651 -0.003,652 -0.042,653 -0.001,654 -0.021,655 -0.02,656 -0.043,657 0.041,658 0.005,659 -0.023,660 0.026,661 2.028,662 5.767,663 0.676,664 42.291,665 0.996,666 1.133,667 2.332,668 5.438,669 0.649,670 3.638,671 3.951,672 4.205,673 4.443,674 4.654,675 4.754,676 4.898,677 5.037,678 5.187,679 5.298,680 7.819,681 0.612,682 460.64,683 3.638,684 5.176,685 6.019,686 6.889,687 7.75,688 8.625,689 9.494,690 10.373,691 11.247,692 12.127,693 9.1,696 1,700 2,701 1,702 1,703 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 6,797 1,798 2,815 1,816 3,830 1,834 1,835 1,839 1,843 4,847 2,851 34,858 9,860 1,863 1,864 2,866 1,870 1,872 1,874 3,877 2,881 17.667,882 12.383,883 7.556,884 4.199,886 2.276,887 1.292,888 0.969,889 7.824,890 10.072,891 3.882,892 4.379,893 4.899,894 5.389,895 5.796,896 6.096,897 6.336,898 6.63,899 6.949,900 7.285,901 1,902 52,903 12.638,905 5.36,906 7.755,907 24.414,909 20.272,911 2.255,912 76.667,916 353.133,917 128.679,918 88.89,920 50.29,923 128.679,924 403.423,925 88.89,926 16.793,927 42.659,928 46.952,929 95.414,930 66.039,931 11.771,932 341.362,934 353.133,935 217.568,936 50.29,939 306.049,940 97.374,943 98.713,944 92.593,945 26.262,947 353.133,948 139.18,949 128.679,952 353.133,953 48.332,954 69.994,955 51.398,956 98.135,957 353.133,958 139.18,959 128.679,961 0.578,962 0.333,963 0.177,964 0.095,965 23,966 11,967 0.087,968 6,970 1,971 4.449,972 313.904,974 23,975 166.974,981 24.198,982 10.994,983 5.961,985 122.394,986 7.721,987 4.019,988 2.768,991 3.383,993 34.796,994 620.991,995 47.5,1000 25.175,1002 2.279,1004 1.089,1007 65.752,1008 74.806,1009 0.249,1010 0.623,1011 0.824,1012 0.871,1013 0.881,1014 0.881,1015 5.14,1016 1.592,1017 5.999,1018 5.341,1019 4.635,1020 5.066,1021 2.981,1022 6.79,1023 4.582,1024 6.325,1025 1.55,1026 7.548,1027 4.362,1028 4.205,1029 4.808,1030 1.738,1031 7.653,1032 4.133,1033 7.617,1034 1.212,1035 9.195,1036 3.658,1037 6.213,1038 7.137,1039 4.082,1040 10.726,1041 6.111,1042 8.94,1043 1.075,1044 10.899,1045 3.038,1046 6.594,1047 7.728,1048 3.224,1049 12.405,1050 6.476,1051 10.295,1052 1,1053 12.64,1054 2.816,1055 8.063,1056 9.516,1057 5.387,1058 14.982,1059 7.921,1060 11.672,1061 1,1062 14.406,1063 2.474,1064 8.813,1065 10.495,1066 4.689,1067 16.998,1068 8.657,1069 13.065,1070 1,1071 16.189,1072 2.275,1073 10.061,1074 12.061,1075 6.756,1076 19.398,1077 9.885,1078 3.103,1079 0.682,1080 17.986,1081 2.136,1082 10.989,1083 13.234,1084 6.118,1085 21.568,1086 10.799,1087 2.888,1088 10.408,1089 19.792,1090 1.665,1091 12.144,1092 14.703,1093 8.147,1094 23.904,1095 11.937,1096 2.834,1097 9.02,1098 21.606,1099 4.07,1100 13.157,1101 15.975,1102 7.524,1103 26.147,1104 12.939,1105 2.64,1106 8.807,1107 23.426,1108 3.881,1109 14.275,1110 17.4,1111 9.547,1112 28.463,1113 14.042,1114 2.331,1115 8.479,1116 25.251,1117 3.231,1118 15.332,1119 18.725,1120 8.915,1121 30.743,1122 15.087,1123 2.146,1124 6.723,1125 27.08,1126 3.101,1127 16.436,1128 20.13,1129 10.952,1130 33.056,1131 16.18,1132 2.076,1133 6.088,1134 28.914,1135 3.008,1136 17.515,1137 21.484,1138 10.3,1139 35.356,1140 17.249,1141 16131,1142 25792,1143 24.561,1144 42.841,1145 57.336,1146 59.698,1147 56.936,1148 54.994,1149 55.039,1150 67.878,1151 12.918,1152 155.887,1153 53.585,1154 5.442,1155 6.059,1156 6.357,1157 5.143,1158 5.103,1159 7.07,1160 4.069,1161 17.274,1162 5.073,1163 18.175,1164 1.55,1165 1.613,1166 1.539,1167 1.486,1168 1.488,1169 1.835,1170 0.349,1171 4.213,1172 1.448,1173 4.056,1174 4.093,1175 4,1176 3.982,1177 7.431,1178 3.979,1179 3.92,1180 3.974,1181 3.882,1182 3.729,1183 7.426,1184 3.762,1185 3.85,1186 3.904,1187 3.749,1188 3.726,1189 6.821,1190 3.721,1191 3.733,1192 3.788,1193 3.626,1194 3.589,1195 4.892,1196 3.593,1197 3.601,1198 3.68,1199 3.465,1200 3.397,1201 4.746,1202 3.405,1203 3.332,1204 3.377,1205 3.283,1206 3.103,1207 4.357,1208 3.141,1209 3.222,1210 3.268,1211 3.114,1212 3.009,1213 4.308,1214 3.023,1215 3.111,1216 3.206,1217 2.952,1218 2.945,1219 4.207,1220 2.935,1221 0.12,1222 0.11,1223 0.177,1224 0.111,1225 0.084,1226 4.442,1227 0.11,1228 4.059,1229 0.055,1230 6.555,1231 0.281,1232 4.093,1233 0.083,1234 3.103,1235 4.07,1236 2.035,1237 10.408,1238 3.073,1239 2.011,1240 1.984,1241 2.135,1242 2.103,1243 1.457,1244 2.114,1245 1.845,1246 1.794,1247 2.045,1248 2.002,1249 1.393,1250 2.016,1251 1.709,1252 1.657,1253 1.885,1254 1.892,1255 1.073,1256 1.895,1257 1.574,1258 1.502,1259 1.825,1260 1.827,1261 0.982,1262 1.826,1263 1.513,1264 1.462,1265 1.632,1266 1.741,1267 0.825,1268 1.72,1269 1.458,1270 1.417,1271 1.513,1272 1.654,1273 0.73,1274 1.617,1275 1.197,1276 1.134,1277 1.504,1278 1.45,1279 0.648,1280 1.448,1281 1.153,1282 1.064,1283 1.447,1284 1.376,1285 0.603,1286 1.429,1287 4.317,1289 5.631,1290 2.398,1291 7.132,1292 4.595,1293 8.714,1294 6.581,1295 10.341,1297 3.835,1303 8.225,1305 2.991,1308 0.388,1309 3.879,1312 8.981,1313 1.934,1314 40.406,1315 99.209,1316 248.469,1317 328.665,1318 347.42,1319 351.42,1320 351.42,1321 72.414,1322 7.796,1323 105.12,1324 105.12,1325 23,1326 12.664,1327 4,1328 3.524,1329 56.78,1330 153,1331 174,1332 0.174,1333 250.082,1334 444.3,1335 601.96,1336 25148,1338 24.079,1339 0.708,1340 0.586,1341 24.079,1342 19.933,1343 16.44,1344 0.444,1345 0.324,1346 11.816,1347 15.858,1348 11.495,1349 9.558,1350 16.44,1351 11.97,1352 14.737,1353 0.289,1354 0.184,1355 14.737,1356 9.373,1357 12.113,1358 0.184,1359 0.1,1360 12.113,1361 6.607,1362 9.955,1363 0.119,1364 0.057,1365 9.955,1366 4.783,1367 7.72,1368 0.074,1369 0.033,1370 7.72,1371 3.444,1372 0.275,1373 102.775,1374 0.202,1375 31.59,1376 0.474,1377 176,1378 482.717,1379 190.836,1380 472.942,1381 637.26,1382 440,1383 205,1384 458.949,1385 220.948,1386 469.617,1387 680.35,1388 439,1389 6.796}
{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 4,237 1,238 6,241 1,243 2,246 4,249 2,250 7,255 1,258 2,263 1,264 4,267 1,269 3,276 2118,277 23.281,278 23.281,279 23.281,280 23.281,281 23.281,282 20.546,283 29.158,284 13.636,285 24.349,286 18.084,287 18.084,288 18.084,289 18.084,290 18.084,291 13.753,292 39.065,293 6.209,294 19.529,295 4.133,296 2.056,297 1.074,298 0.69,299 0.608,300 0.431,301 4.254,306 1,307 1012,308 4.062,311 111.91,312 315.11,316 169.572,319 2.256,320 34.222,323 1,324 0.67,325 1,326 0.6,328 1,329 1,330 0.75,331 75,332 472,333 4.575,334 3.585,335 6.585,336 4.099,337 3.135,338 4.513,339 1.659,340 10.529,341 3.023,342 4.283,343 3.329,344 6.197,345 3.886,346 2.933,347 3.921,348 0.86,349 9.273,350 2.789,351 4.08,352 3.15,353 6.044,354 3.726,355 2.81,356 3.575,357 0.86,358 8.662,359 2.571,360 3.991,361 3.027,362 6.037,363 3.582,364 2.652,365 3.493,366 0.86,367 8.625,368 2.457,369 3.678,370 2.961,371 5.4,372 3.277,373 2.335,374 2.994,375 0.86,376 7.015,377 2.184,378 3.509,379 2.549,380 5.092,381 3.085,382 2.15,383 2.798,384 0.564,385 6.11,386 1.993,387 3.327,388 2.228,389 4.97,390 2.859,391 1.908,392 2.63,393 0.133,394 5.701,395 1.809,396 2.999,397 1.967,398 4.488,399 2.581,400 1.663,401 2.22,403 4.379,404 1.511,405 2.956,406 1.932,407 4.354,408 2.532,409 1.588,410 2.073,412 4.164,413 1.495,414 2.854,415 1.827,416 4.074,417 2.425,418 1.464,419 1.959,421 3.582,422 1.392,423 2.692,424 1.471,425 3.886,426 2.256,427 1.347,428 1.751,430 3.079,431 1.214,432 2.123,433 1.014,434 3.263,435 1.684,436 0.772,437 1.005,439 1.833,440 0.692,441 2.118,442 1,443 3.2,444 1.569,445 0.67,446 0.927,448 1.446,449 0.595,450 1.909,451 0.959,452 3,453 1.444,454 0.618,455 0.804,457 1.372,458 0.486,459 1.771,460 0.94,461 2.977,462 1.415,463 0.542,464 0.639,466 1.01,467 0.481,468 16.1,469 0.474,470 0.742,471 0.022,472 46.75,473 1.375,474 24,475 0.706,476 22.75,477 0.669,478 28.055,479 0.825,480 36.7,481 0.633,482 38.204,483 1.124,484 9.515,485 0.28,486 7.001,487 0.206,488 0.145,490 0.342,496 0.889,497 1.317,498 0.716,499 1.061,500 0.703,501 0.93,502 1.188,503 0.982,504 0.848,505 0.845,506 0.783,507 0.747,508 1.216,509 1.052,510 0.999,511 0.989,512 1.11,513 0.924,514 1.146,515 1.216,516 1.165,517 1.213,518 1.102,519 1.135,520 0.994,521 0.925,522 0.891,523 0.934,524 1.316,525 1.037,526 0.962,527 0.997,528 0.833,529 0.92,530 1.075,531 0.962,532 1.112,533 0.892,534 0.919,535 0.848,536 1.257,537 0.978,538 1.043,539 1.013,540 0.97,541 1.013,542 0.692,543 1.022,544 7,545 0.227,546 3.778,547 2.153,548 2.441,549 1.052,550 0.879,551 0.572,552 0.365,553 0.298,554 17564,555 54100,556 2.059,557 41.4,559 16,560 1,561 2,562 2,564 3,567 1.758,568 1.925,569 3.74,570 0.235,572 1,577 100.075,578 1.725,579 3.802,580 4.784,581 5.168,582 5.25,583 5.427,584 3.282,585 4.676,586 5.058,587 3.941,588 2211.08,589 8.859,590 34684.5,595 339.763,596 1.419,597 5.016,598 0.189,599 0.008,600 0.074,601 0.04,602 0.046,603 0.021,604 0.019,605 0.014,606 0.009,607 0.008,608 0.429,609 0.33,610 0.88,611 0.865,612 184.239,613 -0.076,614 -0.185,615 0.065,616 -0.071,617 -0.078,618 -0.016,619 -0.08,620 0.08,621 0.102,622 0.15,623 0.039,624 0.176,625 -0.094,626 0.023,627 -0.087,628 -0.028,629 -0.113,630 -0.021,631 -0.065,632 -0.17,633 -0.221,634 -0.221,635 -0.061,636 -0.207,637 0.097,638 0.043,639 -0.037,640 -0.041,641 0.021,642 -0.091,643 -0.025,644 -0.062,645 0.037,646 -0.005,647 -0.001,648 0.031,649 -0.085,650 0.065,651 -0.046,652 0.058,653 -0.113,654 -0.012,655 -0.049,656 -0.057,657 0.005,658 -0.02,659 -0.018,660 -0.028,661 2.032,662 5.46,663 0.618,664 39.27,665 1.016,666 1.123,667 0.49,668 0.24,669 0.682,670 3.638,671 3.951,672 4.234,673 4.489,674 4.682,675 4.762,676 4.868,677 4.977,678 5.088,679 5.136,680 8.16,681 0.657,682 480.59,683 3.638,684 5.176,685 6.028,686 6.905,687 7.773,688 8.653,689 9.527,690 10.408,691 11.285,692 12.168,693 6.9,700 2,703 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 4,797 0.75,798 5,809 1,815 1,816 3,820 1,843 3,845 1,847 4,851 34,860 2,861 4,863 1,868 1,874 8.6,877 1,879 4,881 17.667,882 11.733,883 7.722,884 3.101,886 3.986,887 1.499,888 0.965,889 7.824,890 11.975,891 3.912,892 4.525,893 5.122,894 5.715,895 6.236,896 6.548,897 6.921,898 7.324,899 7.728,900 7.939,901 1,902 54,903 12.504,905 5.192,906 7.789,907 23.479,909 18.432,911 2.289,912 77.833,916 258.964,917 194.25,918 69.593,920 69.144,922 31.278,923 162.972,924 328.109,925 69.593,926 41.474,927 36.022,928 64.507,929 83.188,930 95.785,931 16.047,932 254.929,934 258.964,935 232.565,936 69.144,937 31.278,939 223.651,940 104.458,943 66.015,944 132.978,945 33.571,946 31.278,947 258.964,948 138.737,949 194.25,952 258.964,953 70.174,954 124.076,955 36.022,956 102.716,957 258.964,958 138.737,959 194.25,961 0.572,962 0.35,963 0.194,964 0.1,965 23,966 11,967 0.131,968 8,969 1,970 1.095,971 4.459,972 312.161,973 0.095,974 21,975 172.974,977 1,981 24.198,982 10.994,983 5.6,984 1.461,985 138.737,986 15.766,987 8.611,990 1.481,991 4.05,993 36.022,994 591.951,995 49,1000 12.46,1004 -0.365,1007 58.956,1008 65.112,1009 0.295,1010 0.649,1011 0.817,1012 0.882,1013 0.896,1014 0.926,1015 5.139,1016 1.663,1017 6.009,1018 5.701,1019 4.635,1020 5.212,1021 2.506,1022 6.817,1023 4.497,1024 6.348,1025 1.588,1026 7.567,1027 4.379,1028 4.205,1029 5.037,1030 1.195,1031 7.703,1032 4.04,1033 7.658,1034 1.464,1035 9.222,1036 4.164,1037 6.229,1038 7.442,1039 2.765,1040 10.786,1041 5.982,1042 9.005,1043 1.347,1044 10.933,1045 3.582,1046 6.621,1047 8.102,1048 2.324,1049 12.471,1050 6.332,1051 10.383,1052 0.772,1053 12.68,1054 3.079,1055 8.089,1056 9.965,1057 3.378,1058 15.06,1059 7.749,1060 11.781,1061 0.67,1062 14.451,1063 1.833,1064 8.858,1065 11.027,1066 3.415,1067 17.084,1068 8.469,1069 13.196,1070 0.618,1071 16.238,1072 1.446,1073 10.105,1074 12.668,1075 4.209,1076 19.497,1077 9.678,1078 3.135,1079 0.542,1080 18.038,1081 1.372,1082 11.052,1083 13.937,1084 4.478,1085 21.676,1086 10.578,1087 2.933,1088 10.529,1089 19.847,1090 1.01,1091 12.21,1092 15.484,1093 5.142,1094 24.025,1095 11.703,1096 2.81,1097 9.273,1098 21.664,1099 4.513,1100 13.241,1101 16.86,1102 5.522,1103 26.278,1104 12.691,1105 2.652,1106 8.662,1107 23.488,1108 3.921,1109 14.365,1110 18.369,1111 6.117,1112 28.607,1113 13.783,1114 2.335,1115 8.625,1116 25.316,1117 3.575,1118 15.436,1119 19.801,1120 6.554,1121 30.898,1122 14.816,1123 2.15,1124 7.015,1125 27.149,1126 3.493,1127 16.549,1128 21.297,1129 7.11,1130 33.224,1131 15.898,1132 1.908,1133 6.11,1134 28.986,1135 2.994,1136 17.642,1137 22.76,1138 7.577,1139 35.536,1140 16.955,1141 16807,1142 29673,1143 24.561,1144 39.557,1145 54.563,1146 56.017,1147 56.598,1148 54.04,1149 54.31,1150 71.879,1151 11.591,1152 155.338,1153 50.362,1154 5.483,1155 5.585,1156 6.182,1157 5.196,1158 5.135,1159 7.513,1160 2.921,1161 17.464,1162 5.023,1163 17.822,1164 1.475,1165 1.514,1166 1.53,1167 1.461,1168 1.468,1169 1.943,1170 0.313,1171 4.198,1172 1.361,1173 4.084,1174 4.1,1175 4.213,1176 3.997,1177 7.431,1178 4.008,1179 3.92,1180 3.947,1181 4.053,1182 3.847,1183 5.084,1184 3.828,1185 3.844,1186 3.869,1187 3.867,1188 3.804,1189 4.887,1190 3.755,1191 3.544,1192 3.57,1193 3.5,1194 3.372,1195 4.847,1196 3.392,1197 3.492,1198 3.537,1199 3.447,1200 3.286,1201 4.722,1202 3.293,1203 3.26,1204 3.32,1205 3.12,1206 3.003,1207 4.51,1208 3.025,1209 3.246,1210 3.312,1211 3.065,1212 2.961,1213 4.473,1214 2.975,1215 3.225,1216 3.294,1217 3.058,1218 2.958,1219 4.234,1220 2.969,1221 0.124,1222 0.097,1223 0.178,1224 0.111,1225 0.085,1226 4.575,1227 0.122,1228 3.585,1229 0.045,1230 6.585,1231 0.285,1232 4.099,1233 0.082,1234 3.135,1235 4.513,1236 1.659,1237 10.529,1238 3.023,1239 2.02,1240 2.006,1241 2.075,1242 2.123,1243 1.207,1244 2.108,1245 1.866,1246 1.848,1247 1.953,1248 1.994,1249 1.066,1250 1.979,1251 1.636,1252 1.59,1253 1.822,1254 1.834,1255 1.035,1256 1.836,1257 1.462,1258 1.439,1259 1.646,1260 1.678,1261 0.658,1262 1.664,1263 1.356,1264 1.325,1265 1.576,1266 1.525,1267 0.575,1268 1.54,1269 1.198,1270 1.144,1271 1.569,1272 1.521,1273 0.573,1274 1.531,1275 1.192,1276 1.12,1277 1.482,1278 1.504,1279 0.556,1280 1.517,1281 1.176,1282 1.117,1283 1.456,1284 1.459,1285 0.518,1286 1.449,1287 4.317,1289 5.631,1290 2.398,1291 7.141,1292 4.443,1293 8.745,1294 6.293,1295 10.4,1297 6.548,1305 5.667,1306 22.373,1308 -0.218,1314 38.115,1315 100.075,1316 220.499,1317 277.459,1318 299.724,1319 304.479,1320 314.743,1321 60.341,1322 7.989,1323 103.83,1324 132.07,1325 23,1326 12.703,1327 4.585,1328 3.7,1329 57.09,1330 168,1331 156,1332 0.165,1333 237.501,1334 408.14,1335 571.262,1336 35855,1338 24.079,1339 0.708,1340 0.586,1341 24.432,1342 19.934,1343 16.516,1344 0.446,1345 0.304,1346 10.199,1347 15.129,1348 9.788,1349 8.188,1350 16.97,1351 11.235,1352 14.365,1353 0.282,1354 0.159,1355 14.948,1356 8.114,1357 12.349,1358 0.182,1359 0.088,1360 13.065,1361 5.984,1362 10.392,1363 0.118,1364 0.046,1365 11.002,1366 4.013,1367 7.966,1368 0.074,1369 0.022,1370 8.266,1371 2.392,1372 0.264,1373 110.101,1374 0.202,1375 31.799,1376 0.437,1377 176,1378 605.494,1379 221.611,1380 585.618,1381 798.79,1382 552,1383 207,1384 570.1,1385 248.567,1386 587.54,1387 855.08,1388 548,1389 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 7,238 4,243 3,246 8,250 1,255 1,258 7,264 2,267 2,269 1,272 4,276 873,277 17.413,278 17.413,279 17.413,280 17.413,281 17.413,282 15.36,283 10.372,284 10.451,285 17.65,286 13.826,287 13.826,288 13.826,289 13.826,290 13.826,291 10.67,292 13.198,293 4.96,294 14.164,295 4.019,296 2.116,297 1.422,298 0.756,299 0.622,300 0.622,301 3.97,304 1,305 1,306 1,307 649,308 2.828,311 58.768,312 241.746,315 109.851,319 1.904,320 16.341,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 53,332 292,333 4.533,334 3.693,335 6.526,336 4.045,337 3.063,338 4.486,339 1.2,340 10.265,341 3.005,342 4.264,343 3.063,344 6.391,345 3.957,346 2.973,347 3.811,348 0.4,349 9.667,350 2.926,351 3.864,352 2.578,353 5.42,354 3.499,355 2.514,356 3.237,357 0.293,358 7.116,359 2.476,360 3.467,361 2.419,362 5.171,363 3.108,364 2.139,365 2.815,367 6.188,368 2.064,369 3.281,370 2.034,371 5.073,372 2.949,373 1.972,374 2.43,376 5.877,377 1.923,378 3.046,379 1.838,380 4.186,381 2.528,382 1.546,383 2.318,385 3.765,386 1.516,387 2.775,388 1.667,389 3.899,390 2.45,391 1.497,392 1.81,394 3.319,395 1.423,396 2.66,397 1.546,398 3.593,399 2.197,400 1.205,401 1.671,403 2.815,404 1.194,405 2.5,406 1.203,407 3.414,408 2,409 1,410 1.5,412 2.275,413 1,414 2.405,415 1.146,416 3.377,417 1.967,418 1,419 1.25,421 2.136,422 0.965,423 2.112,424 1,425 3.247,426 1.868,427 0.878,428 1,430 2.07,431 0.863,432 2,433 0.809,434 3.232,435 1.716,436 0.709,437 0.944,439 1.681,440 0.709,441 1.958,442 0.435,443 2.97,444 1.38,445 0.386,446 0.595,448 0.917,449 0.383,450 1.027,451 -0.101,452 2.373,453 0.626,454 -0.379,455 -0.488,457 -0.904,458 -0.378,459 0.7,460 -0.405,461 2.104,462 0.247,463 -0.745,464 -0.814,466 -1.61,467 -0.734,468 11.933,469 0.477,470 0.448,471 0.018,472 33,473 1.32,474 17,475 0.68,476 16,477 0.64,478 17.41,479 0.696,480 25.867,481 0.575,482 22.991,483 0.92,484 6.78,485 0.271,486 5.53,487 0.221,488 0.028,490 0.285,496 0.734,497 1.155,498 0.787,499 0.975,500 0.562,501 0.897,502 0.922,503 1.128,504 0.961,505 0.983,506 0.639,507 0.965,508 0.925,509 0.999,510 0.955,511 1.013,512 0.777,513 0.986,514 1.561,515 1.006,516 1.127,517 1.021,518 1.881,519 1.032,520 1.349,521 0.855,522 1.065,523 0.91,524 1.781,525 0.961,526 0.638,527 1.112,528 0.969,529 1.138,530 0.634,531 1.105,532 0.81,533 0.936,534 0.956,535 0.954,536 0.671,537 0.966,538 0.821,539 0.942,540 0.989,541 1.002,542 0.821,543 1.013,544 3.5,545 0.115,546 2.889,547 1.479,548 0.796,549 0.486,550 0.372,551 0.205,552 0.108,553 0.128,554 8527,555 20263,556 2.179,557 44.4,559 18,562 2,567 1.672,568 2.113,569 3.504,570 0.233,571 1,572 1,577 66.256,578 1.472,579 3.376,580 4.07,581 4.736,582 4.87,583 4.87,584 2.919,585 4.214,586 4.618,587 3.671,588 1101.36,589 7.942,590 13891,592 1,594 1,595 247.133,596 1.078,597 4.606,598 0.125,599 0.007,600 0.076,601 0.04,602 0.027,603 0.019,604 0.015,605 0.009,606 0.006,607 0.008,608 0.332,609 0.5,610 1,611 0.372,612 123.075,613 0.04,614 0.001,615 0.056,616 0.017,617 -0.012,618 0.033,619 -0.022,620 -0.012,621 -0.06,622 -0.021,623 -0.008,624 -0.038,625 -0.011,626 0.005,627 0.001,628 -0.033,629 0.068,630 -0.013,631 -0.198,632 -0.056,633 -0.117,634 -0.049,635 -0.166,636 -0.07,637 -0.095,638 0.077,639 -0.061,640 0.081,641 -0.173,642 0.021,643 0.01,644 -0.164,645 -0.033,646 -0.117,647 0.013,648 -0.089,649 -0.04,650 0.006,651 0.027,652 0.036,653 0.015,654 0.04,655 -0.05,656 -0.003,657 -0.019,659 -0.061,660 -0.003,661 1.559,662 5.469,663 0.84,664 23.357,665 0.996,666 1.123,667 2.39,668 5.71,669 0.679,670 3.367,671 3.664,672 3.951,673 4.174,674 4.344,675 4.317,676 4.419,677 4.489,678 4.489,679 4.595,680 6.868,681 0.645,682 332.44,683 3.367,684 4.89,685 5.74,686 6.6,687 7.461,688 8.326,689 9.191,690 10.057,691 10.924,692 11.792,693 8.9,695 1,700 1,701 1,703 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 4,797 0.75,798 1,807 1,815 1,816 3,819 1,834 2,838 1,843 3,851 25,858 4,860 1,864 1,874 2.2,877 1,881 11.833,882 7.9,883 5.528,884 2.725,886 3.813,887 1.518,888 1.03,889 4.53,890 11.177,891 3.664,892 4.245,893 4.878,894 5.45,895 5.943,896 6.239,897 6.66,898 7.041,899 7.276,900 7.737,901 0.875,902 37,903 9.239,905 3.93,906 7.62,907 17.912,909 14.845,911 2.12,912 53,915 1,916 211.88,917 121.735,918 54.461,920 25.145,923 121.735,924 237.025,925 54.461,927 11.547,928 112.773,929 46.513,930 27.751,931 2.757,932 211.88,934 211.88,935 176.196,936 25.145,939 211.88,940 25.145,943 48.365,944 92.215,945 35.616,947 211.88,948 79.606,949 121.735,952 211.88,953 26.972,954 97.887,955 34.674,956 41.808,957 211.88,958 79.606,959 121.735,961 0.574,962 0.342,963 0.184,964 0.095,965 19,966 7,967 0.063,968 3,969 1,970 1.095,971 3.92,972 202.21,973 0.095,974 21,975 105.342,981 15.915,982 7.116,983 3.444,984 2.059,985 62.943,986 15.767,987 4.288,988 3.053,991 2.776,993 34.674,994 413.221,995 38,1000 12.469,1002 4.043,1004 0.108,1007 44.803,1008 50.524,1009 0.268,1010 0.615,1011 0.741,1012 0.862,1013 0.887,1014 0.887,1015 4.875,1016 1.205,1017 5.694,1018 3.319,1019 4.344,1020 4.931,1021 1.435,1022 6.472,1023 4.302,1024 6.061,1025 1,1026 7.229,1027 2.815,1028 3.761,1029 4.605,1030 0.325,1031 7.318,1032 3.705,1033 7.352,1034 1,1035 8.869,1036 2.275,1037 5.9,1038 7.139,1039 1.523,1040 10.419,1041 5.82,1042 8.684,1043 0.878,1044 10.574,1045 2.136,1046 6.217,1047 7.757,1048 0.653,1049 12.144,1050 6.126,1051 10.054,1052 0.709,1053 12.322,1054 2.07,1055 7.755,1056 9.684,1057 1.741,1058 14.73,1059 7.641,1060 11.452,1061 0.386,1062 14.099,1063 1.681,1064 8.489,1065 10.749,1066 1.001,1067 16.798,1068 8.363,1069 12.87,1070 -0.379,1071 15.896,1072 0.917,1073 9.775,1074 12.423,1075 1.993,1076 19.211,1077 9.629,1078 3.063,1079 -0.745,1080 17.709,1081 -0.904,1082 10.707,1083 13.707,1084 1.37,1085 21.419,1086 10.546,1087 2.973,1088 10.265,1089 19.533,1090 -1.61,1091 11.886,1092 15.272,1093 2.264,1094 23.769,1095 11.706,1096 2.514,1097 9.667,1098 21.366,1099 4.486,1100 12.91,1101 16.664,1102 1.754,1103 26.035,1104 12.714,1105 2.139,1106 7.116,1107 23.205,1108 3.811,1109 14.044,1110 18.183,1111 2.551,1112 28.361,1113 13.83,1114 1.972,1115 6.188,1116 25.05,1117 3.237,1118 15.112,1119 19.627,1120 2.143,1121 30.653,1122 14.88,1123 1.546,1124 5.877,1125 26.899,1126 2.815,1127 16.228,1128 21.129,1129 2.851,1130 32.971,1131 15.978,1132 1.497,1133 3.765,1134 28.751,1135 2.43,1136 17.316,1137 22.598,1138 2.535,1139 35.274,1140 17.048,1141 7883,1142 12265,1143 19.474,1144 30.569,1145 42.444,1146 42.775,1147 42.43,1148 41.793,1149 41.765,1150 55.734,1151 3.786,1152 116.181,1153 40.892,1154 5.533,1155 5.693,1156 6.328,1157 5.112,1158 5.063,1159 7.486,1160 2.293,1161 17.009,1162 5.005,1163 6.241,1164 1.516,1165 1.528,1166 1.515,1167 1.493,1168 1.492,1169 1.991,1170 0.135,1171 4.149,1172 1.46,1173 4.111,1174 4.149,1175 4.074,1176 4.016,1177 7.428,1178 4.024,1179 3.95,1180 3.984,1181 3.896,1182 3.874,1183 5.093,1184 3.874,1185 3.771,1186 3.838,1187 3.659,1188 3.58,1189 4.728,1190 3.591,1191 3.477,1192 3.528,1193 3.387,1194 3.366,1195 4.413,1196 3.364,1197 3.271,1198 3.323,1199 3.197,1200 3.072,1201 4.377,1202 3.094,1203 3.111,1204 3.206,1205 2.952,1206 2.941,1207 4.124,1208 2.91,1209 3.054,1210 3.126,1211 2.866,1212 2.832,1213 3.703,1214 2.852,1215 2.866,1216 2.931,1217 2.733,1218 2.735,1219 3.674,1220 2.725,1221 0.162,1222 0.132,1223 0.233,1224 0.144,1225 0.109,1226 4.533,1227 0.16,1228 3.693,1229 0.043,1230 6.526,1231 0.367,1232 4.045,1233 0.107,1234 3.063,1235 4.486,1236 1.2,1237 10.265,1238 3.005,1239 1.964,1240 1.942,1241 2.059,1242 2.053,1243 1.255,1244 2.054,1245 1.904,1246 1.881,1247 2.007,1248 1.994,1249 1.163,1250 2.001,1251 1.731,1252 1.66,1253 1.941,1254 1.932,1255 1.091,1256 1.942,1257 1.521,1258 1.47,1259 1.657,1260 1.742,1261 0.825,1262 1.712,1263 1.168,1264 1.118,1265 1.513,1266 1.432,1267 0.704,1268 1.429,1269 1.153,1270 1.064,1271 1.318,1272 1.376,1273 0.395,1274 1.402,1275 0.993,1276 0.934,1277 1.212,1278 1.262,1279 0.291,1280 1.255,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.043,1289 5.342,1290 2.398,1291 6.845,1292 4.727,1293 8.431,1294 6.823,1295 10.057,1303 3.274,1305 3.262,1309 1.901,1314 29.015,1315 66.256,1316 151.914,1317 183.133,1318 213.133,1319 219.133,1320 219.133,1321 33.477,1322 7.364,1323 61.02,1324 61.02,1325 23,1326 12.337,1327 4.248,1328 3.459,1329 36.262,1330 105,1331 88,1332 0.168,1333 177.871,1334 301.45,1335 425.764,1336 17016,1338 17.062,1339 0.682,1340 0.556,1341 17.062,1342 13.905,1343 12.31,1344 0.44,1345 0.304,1346 8.427,1347 11.939,1348 8.276,1349 6.842,1350 12.31,1351 8.524,1352 10.661,1353 0.281,1354 0.162,1355 10.661,1356 6.152,1357 9.456,1358 0.185,1359 0.088,1360 9.456,1361 4.495,1362 7.713,1363 0.121,1364 0.048,1365 7.713,1366 3.073,1367 6.066,1368 0.08,1369 0.027,1370 6.066,1371 2.055,1372 0.271,1373 76.418,1374 0.227,1375 24.812,1376 0.439,1377 132,1378 343.691,1379 141.458,1380 339.888,1381 473.47,1382 320,1383 155,1384 355.031,1385 165.624,1386 361.553,1387 527.98,1388 342,1389 5}
{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 4,238 3,243 5,246 2,248 3,249 4,250 2,252 2,253 2,255 1,258 2,263 2,266 1,267 1,272 4,276 1064,277 17.264,278 17.264,279 17.264,280 17.264,281 17.264,282 14.707,283 22.758,284 9.764,285 17.762,286 14.26,287 14.26,288 14.26,289 14.26,290 14.26,291 10.359,292 34.444,293 4.596,294 15.122,295 3.177,296 1.459,297 0.914,298 0.564,299 0.564,300 0.564,301 4.01,305 1,306 1,307 626,308 3.742,311 80.447,312 194.893,319 1.786,320 59.349,323 1,324 0.83,325 1,326 0.4,328 0.83,329 0.5,330 0.65,331 63,332 299,333 4.801,334 4.661,335 7.111,336 4.229,337 3.314,338 4.66,339 0.98,340 11.657,341 3.096,342 4.565,343 3.763,344 6.848,345 4.176,346 3.212,347 4.238,348 0.4,349 11.222,350 3,351 4.236,352 3.119,353 6.215,354 3.78,355 2.849,356 3.902,358 9.139,359 2.643,360 3.893,361 2.854,362 5.523,363 3.469,364 2.508,365 3.43,367 7.426,368 2.41,369 3.462,370 2.592,371 5.069,372 3.004,373 2.045,374 2.762,376 5.962,377 1.95,378 3.232,379 2.528,380 4.841,381 2.787,382 1.879,383 2.481,385 5.104,386 1.678,387 3.146,388 1.973,389 4.713,390 2.687,391 1.723,392 2.355,394 4.781,395 1.654,396 2.962,397 1.607,398 4.534,399 2.477,400 1.512,401 2.127,403 4.416,404 1.451,405 2.706,406 1.356,407 4.028,408 2.232,409 1.258,410 1.776,412 3.163,413 1.219,414 2.5,415 1.238,416 3.51,417 2,418 1,419 1.5,421 2.275,422 1,423 2.269,424 1,425 3.414,426 1.726,427 0.737,428 1.066,430 1.888,431 0.715,432 1.314,433 0.848,434 3,435 0.959,436 0.029,437 0.035,439 0.078,440 0.027,441 1.171,442 0.474,443 2.634,444 0.74,445 -0.197,446 -0.249,448 -0.482,449 -0.175,450 1,451 0.159,452 2.567,453 0.557,454 -0.347,455 -0.445,457 -0.757,458 -0.303,459 1,460 -0.098,461 2.352,462 0.306,463 -0.62,464 -0.756,466 -1.495,467 -0.569,468 12.305,469 0.456,470 1.008,471 0.037,472 39.25,473 1.454,474 21.5,475 0.796,476 17.75,477 0.657,478 17.715,479 0.656,480 29.695,481 0.761,482 32.922,483 1.219,484 7.94,485 0.294,486 4.724,487 0.175,488 0.193,489 0.068,490 0.358,494 2,496 0.646,497 1.041,498 0.758,499 1.125,500 0.716,501 0.77,502 0.55,503 0.967,504 0.806,505 1.087,506 0.56,507 0.952,508 1.151,509 1.192,510 1.03,511 1.073,512 1.067,513 1.004,514 0.97,515 1.045,516 0.992,517 1.045,518 0.945,519 1.083,520 1.17,521 0.934,522 0.86,523 0.672,524 1.132,525 0.816,526 0.766,527 0.941,528 0.83,529 0.838,530 0.672,531 0.904,532 1.116,533 0.933,534 1.133,535 0.961,536 1.064,537 1.184,538 0.797,539 0.728,540 0.836,541 0.784,542 0.845,543 0.929,544 7.5,545 0.132,546 3.778,547 3.007,548 1.526,549 1.091,550 0.719,551 0.371,552 0.314,553 0.29,554 8604,555 38044,556 1.963,557 30.8,559 7,562 5,567 1.698,568 1.77,569 3.394,570 2.694,571 1,572 1,577 82.243,578 2.109,579 3.826,580 4.371,581 4.721,582 4.721,583 4.721,584 2.908,585 3.912,586 4.727,587 3.624,588 1272.16,589 8.189,590 16517.3,592 1,594 1,595 206.131,596 1.74,597 4.637,598 0.259,599 0.007,600 0.088,601 0.07,602 0.038,603 0.033,604 0.022,605 0.015,606 0.014,607 0.013,608 0.558,609 0.17,610 1,611 0.857,612 134.659,613 -0.067,614 -0.029,615 0.128,616 -0.004,617 -0.17,618 0.103,619 0.175,620 0.01,621 -0.017,622 -0.092,623 0.151,624 -0.076,625 -0.226,626 -0.193,627 -0.149,628 -0.116,629 -0.153,630 -0.082,631 0.123,632 -0.021,633 -0.098,634 -0.148,635 0.153,636 -0.18,637 -0.225,638 -0.076,639 -0.033,640 0.101,641 -0.212,642 0.111,643 0.086,644 0.032,645 0.019,646 -0.001,647 0.097,648 0.007,649 -0.223,650 0.053,651 -0.273,652 -0.09,653 -0.22,654 -0.258,655 0.068,656 0.079,657 0.157,658 0.131,659 0.001,660 0.144,661 4.761,662 5.768,663 0.63,664 24.735,665 1.057,666 1.151,667 2.847,668 8.105,669 0.691,670 3.401,671 3.784,672 4.007,673 4.234,674 4.344,675 4.419,676 4.466,677 4.533,678 4.575,679 4.727,680 6.705,681 0.701,682 394.4,683 3.401,684 4.977,685 5.826,686 6.725,687 7.589,688 8.488,689 9.358,690 10.256,691 11.129,692 12.027,693 15.4,697 2,701 2,703 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 6,797 1,798 3,815 1,816 2,843 3,845 1,849 2,851 27,852 2,855 1,860 1,871 1,873 2,874 7.7,877 3,881 15.25,882 6.802,883 5.722,884 1.896,886 3.242,887 1.451,888 1.017,889 4.934,890 10.433,891 3.726,892 4.41,893 4.926,894 5.471,895 5.867,896 6.108,897 6.397,898 6.7,899 7.025,900 7.468,901 1,902 43,903 10.298,905 4.93,906 8.602,907 17.526,909 14.26,911 3.102,912 83.75,916 82.398,917 106.379,918 117.424,920 69.458,921 29.92,922 5.807,923 100.572,924 151.856,925 147.345,928 136.33,929 107.611,930 47.422,931 31.819,932 82.398,934 82.398,935 217.996,936 99.378,937 5.807,939 112.318,940 69.458,943 23.586,944 160.962,945 39.256,947 112.318,948 186.882,949 106.379,951 5.807,952 82.398,953 34.238,954 68.11,955 18.011,956 197.015,957 82.398,958 216.803,959 106.379,961 0.605,962 0.346,963 0.175,964 0.083,965 21,966 11,967 0.098,968 4,970 1,971 3.742,972 227.134,974 17,975 116.382,980 1,981 18.92,982 7.042,983 3.955,985 215.026,986 8.232,987 7.571,991 -3.225,992 0.544,993 82.199,994 405.579,995 40.5,998 -3.844,1000 34.78,1004 -1.131,1007 41.229,1008 44.878,1009 0.399,1010 0.724,1011 0.827,1012 0.893,1013 0.893,1014 0.893,1015 4.985,1016 1.512,1017 5.883,1018 4.781,1019 4.466,1020 5.097,1021 1.176,1022 6.758,1023 4.351,1024 6.266,1025 1.258,1026 7.501,1027 4.416,1028 4.369,1029 5.263,1031 7.96,1032 4.154,1033 7.637,1034 1,1035 9.226,1036 3.163,1037 6.18,1038 7.447,1039 1.063,1040 10.982,1041 5.935,1042 9.046,1043 0.737,1044 11.013,1045 2.275,1046 6.836,1047 8.377,1049 12.954,1050 6.486,1051 10.487,1052 0.029,1053 12.841,1054 1.888,1055 8.219,1056 10.121,1057 1.022,1058 15.575,1059 7.835,1060 11.95,1061 -0.197,1062 14.697,1063 0.078,1064 9.182,1065 11.373,1067 17.833,1068 8.699,1069 13.43,1070 -0.347,1071 16.572,1072 -0.482,1073 10.422,1074 12.963,1075 0.993,1076 20.329,1077 9.894,1078 3.314,1079 -0.62,1080 18.463,1081 -0.757,1082 11.509,1083 14.354,1085 22.694,1086 10.893,1087 3.212,1088 11.657,1089 20.365,1090 -1.495,1091 12.702,1092 15.889,1093 0.967,1094 25.15,1095 12.031,1096 2.849,1097 11.222,1098 22.276,1099 4.66,1100 13.84,1101 17.344,1103 27.558,1104 13.09,1105 2.508,1106 9.139,1107 24.194,1108 4.238,1109 15.019,1110 18.861,1111 0.942,1112 30.002,1113 14.207,1114 2.045,1115 7.426,1116 26.117,1117 3.902,1118 16.179,1119 20.347,1121 32.428,1122 15.294,1123 1.879,1124 5.962,1125 28.045,1126 3.43,1127 17.356,1128 21.861,1129 0.917,1130 34.868,1131 16.406,1132 1.723,1133 5.104,1134 29.976,1135 2.762,1136 18.527,1137 23.363,1139 37.303,1140 17.506,1141 8515,1142 18059,1143 18.205,1144 26.966,1145 44.817,1146 47.088,1147 46.439,1148 44.294,1149 44.134,1150 60.668,1151 2.76,1152 134.225,1153 41.689,1154 5.592,1155 6.661,1156 6.657,1157 5.296,1158 5.314,1159 7.66,1160 1.96,1161 19.075,1162 5.096,1163 17.754,1164 1.545,1165 1.624,1166 1.601,1167 1.527,1168 1.522,1169 2.092,1170 0.095,1171 4.628,1172 1.438,1173 4.076,1174 4.088,1175 4.728,1176 4.051,1177 8.211,1178 3.969,1179 3.986,1180 3.998,1181 3.996,1182 3.861,1183 8.191,1184 3.874,1185 3.815,1186 3.861,1187 3.811,1188 3.608,1189 7.726,1190 3.623,1191 3.617,1192 3.618,1193 3.669,1194 3.479,1195 7.428,1196 3.448,1197 3.145,1198 3.17,1199 3.103,1200 2.944,1201 6.999,1202 2.973,1203 2.956,1204 3.076,1205 2.913,1206 2.735,1207 5.23,1208 2.753,1209 2.937,1210 2.985,1211 2.831,1212 2.73,1213 4.835,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.658,1219 4.741,1220 2.681,1221 0.166,1222 0.161,1223 0.245,1224 0.146,1225 0.114,1226 4.801,1227 0.161,1228 4.661,1229 0.034,1230 7.111,1231 0.402,1232 4.229,1233 0.107,1234 3.314,1235 4.66,1236 0.98,1237 11.657,1238 3.096,1239 1.954,1240 1.96,1241 1.983,1242 2.031,1243 1.15,1244 2.063,1245 1.888,1246 1.87,1247 1.959,1248 2.01,1249 1.047,1250 1.989,1251 1.486,1252 1.504,1253 1.514,1254 1.737,1255 0.549,1256 1.716,1257 1.423,1258 1.361,1259 1.374,1260 1.698,1261 0.432,1262 1.681,1263 1.21,1264 1.151,1265 1.232,1266 1.497,1267 0.218,1268 1.464,1269 0.916,1270 0.859,1271 1.181,1272 1.212,1273 0.169,1274 1.188,1275 0.886,1276 0.821,1277 1.118,1278 1.074,1279 0.072,1280 1.107,1281 0.832,1282 0.787,1283 1.035,1284 1.062,1285 0.039,1286 1.047,1287 4.078,1289 5.442,1290 2.398,1291 6.984,1292 4.727,1293 8.603,1294 6.804,1295 10.261,1299 27.536,1301 10.606,1305 2.681,1314 27.334,1315 82.243,1316 149.218,1317 170.479,1318 184.131,1319 184.131,1320 184.131,1321 82.645,1322 7.191,1323 145.99,1324 154.37,1325 17,1326 12.555,1327 4.392,1328 3.644,1329 47.186,1330 110,1331 95,1332 0.214,1333 172.411,1334 297.54,1335 412.442,1336 12325,1337 5.1,1338 19.767,1339 0.732,1340 0.528,1341 18.277,1342 14.243,1343 12.664,1344 0.437,1345 0.304,1346 7.236,1347 11.164,1348 7.038,1349 5.806,1350 12.737,1351 8.824,1352 12.62,1353 0.293,1354 0.16,1355 12.942,1356 6.863,1357 9.695,1358 0.18,1359 0.081,1360 9.605,1361 4.369,1362 8.104,1363 0.119,1364 0.04,1365 7.601,1366 2.707,1367 5.499,1368 0.072,1369 0.021,1370 5.571,1371 1.628,1372 0.338,1373 90.536,1374 0.234,1375 26.005,1376 0.578,1377 144,1378 652.182,1379 202.686,1380 596.361,1381 775.71,1382 542,1383 169,1384 532.417,1385 233.021,1386 556.741,1387 810.21,1388 519,1389 6.7}
{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 3,238 5,241 1,243 3,246 6,249 1,250 6,253 1,255 1,258 10,263 1,264 9,267 1,272 7,276 2752,277 22.902,278 22.902,279 22.902,280 22.902,281 22.902,282 21.138,283 34.116,284 13.125,285 23.659,286 18.675,287 18.675,288 18.675,289 18.675,290 18.675,291 15.816,292 44.007,293 6.217,294 20.017,295 4.361,296 2.572,297 1.489,298 1.048,299 0.91,300 0.91,301 4.287,302 2,306 1,307 971,308 4.848,311 114.604,312 134.951,313 142.79,319 1.991,320 45.523,323 0.75,324 0.83,325 0.83,326 0.9,327 1,328 0.83,329 1,330 0.88,331 78.167,332 471,333 4.583,334 3.767,335 7.14,336 4.336,337 3.37,338 4.174,339 1.94,340 11.845,341 3.263,342 4.328,343 3.696,344 6.599,345 4.004,346 3.031,347 3.985,348 1.656,349 10.374,350 2.945,351 4.198,352 3.577,353 6.347,354 3.868,355 2.961,356 3.386,357 1.2,358 9.465,359 2.677,360 3.958,361 3.522,362 6.031,363 3.748,364 2.79,365 3.117,366 0.8,367 8.593,368 2.645,369 3.728,370 3.357,371 5.749,372 3.416,373 2.488,374 2.926,375 0.555,376 7.765,377 2.284,378 3.51,379 2.647,380 5.218,381 3.164,382 2.229,383 2.698,384 0.293,385 6.378,386 2.06,387 3.21,388 2.605,389 4.831,390 3.094,391 2.173,392 2.374,393 0.247,394 5.205,395 1.997,396 3.177,397 2.394,398 4.663,399 2.733,400 1.809,401 2.213,403 5.15,404 1.597,405 2.866,406 2.317,407 4.58,408 2.564,409 1.583,410 2.028,412 4.455,413 1.54,414 2.781,415 2.169,416 4.37,417 2.426,418 1.496,419 1.8,421 3.967,422 1.362,423 2.707,424 1.825,425 4.218,426 2.359,427 1.414,428 1.694,430 3.852,431 1.283,432 2.658,433 1.492,434 3.866,435 2.243,436 1.301,437 1.682,439 3.179,440 1.203,441 2.204,442 1.191,443 3.61,444 1.745,445 0.784,446 0.968,448 1.91,449 0.747,450 1.825,451 1.174,452 3.14,453 1.635,454 0.656,455 0.768,457 1.599,458 0.624,459 1.54,460 1.168,461 3.038,462 1.126,463 0.361,464 0.403,466 0.847,467 0.225,468 17.762,469 0.493,470 1.31,471 0.036,472 39,473 1.083,474 15.5,475 0.431,476 23.5,477 0.653,478 44.047,479 1.224,480 41.038,481 0.595,482 33.657,483 0.935,484 7.355,485 0.204,486 9.507,487 0.264,488 0.277,489 0.028,490 0.321,496 0.684,497 1.553,498 0.652,499 1.038,500 0.544,501 1.014,502 0.672,503 0.93,504 0.644,505 0.704,506 0.48,507 0.739,508 0.938,509 1.215,510 0.916,511 1.113,512 0.898,513 1.122,514 0.977,515 1.124,516 1.029,517 1.199,518 1.175,519 0.994,520 1.117,521 0.981,522 0.762,523 0.827,524 1.253,525 0.827,526 0.926,527 1.119,528 0.914,529 1.098,530 0.865,531 1.04,532 1.435,533 0.995,534 0.927,535 0.942,536 1.628,537 0.923,538 1.25,539 0.977,540 0.808,541 0.876,542 1.446,543 1.002,544 10,545 0.33,546 5.333,547 2.938,548 2.608,549 1.678,550 1.098,551 0.76,552 0.631,553 0.667,554 17684,555 53119,556 1.925,557 47.8,558 9,559 20,562 2,563 2,567 1.779,568 1.735,569 3.628,570 0.231,577 120.562,578 1.747,579 3.536,580 4.619,581 5.061,582 5.198,583 5.198,584 3.093,585 4.927,586 5.137,587 3.851,588 2425.87,589 9.06,590 38885.2,595 421.488,596 1.716,597 5.05,598 0.263,599 0.007,600 0.097,601 0.05,602 0.048,603 0.031,604 0.02,605 0.014,606 0.013,607 0.013,608 0.556,609 0.33,610 0.88,611 1.176,612 196.258,613 -0.041,614 -0.262,615 0.032,616 -0.046,617 -0.039,618 -0.022,619 0.118,620 0.248,621 0.152,622 0.25,623 0.107,624 0.22,625 -0.031,626 -0.079,627 0.011,628 -0.078,629 -0.04,630 -0.136,631 0.04,632 -0.142,633 0.005,634 -0.104,635 -0.036,636 0.008,637 0.006,638 0.005,639 0.079,640 0.08,641 -0.012,642 0.113,643 0.158,644 0.029,645 -0.048,646 -0.093,647 0.271,648 -0.101,649 -0.225,650 0.053,651 -0.026,652 0.082,653 -0.182,654 0.025,655 -0.145,656 0.049,657 -0.002,658 0.059,659 -0.159,660 -0.055,661 2.198,662 6.616,663 0.5,664 43.327,665 1.007,666 1.133,667 2.877,668 8.275,669 0.669,670 3.664,671 4.025,672 4.22,673 4.407,674 4.615,675 4.779,676 4.771,677 4.844,678 4.942,679 5.088,680 7.815,681 0.623,682 554.6,683 3.664,684 5.231,685 6.066,686 6.95,687 7.809,688 8.695,689 9.565,690 10.453,691 11.329,692 12.219,693 7.2,696 1,700 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 5,797 1,798 3,815 1,816 1,817 1,830 1,839 1,843 3,845 1,847 5,848 2,851 36,858 6,860 2,864 3,865 1,869 1,873 2,874 4.3,877 3,881 20.75,882 13.886,883 7.75,884 4.023,886 2.069,887 1.269,888 0.935,889 9.94,890 9.773,891 3.861,892 4.404,893 4.849,894 5.305,895 5.674,896 5.919,897 5.941,898 6.089,899 6.314,900 6.642,901 0.889,902 59,903 13.44,905 5.697,906 7.87,907 25.374,909 20.542,911 2.37,912 85.306,916 364.904,917 154.431,918 45.394,919 78.297,920 75.435,922 31.278,923 123.153,924 518.636,925 45.394,926 43.268,927 55.333,928 37.905,929 84.844,930 16.997,931 5.634,932 396.182,933 78.297,934 364.904,935 168.547,936 75.435,937 109.575,939 364.904,940 75.435,943 85.863,944 82.685,945 78.297,946 31.278,947 364.904,948 120.829,949 232.728,952 364.904,953 73.257,954 90.546,955 36.022,956 153.732,957 364.904,958 120.829,959 232.728,961 0.598,962 0.33,963 0.157,964 0.089,965 24,966 14,967 0.099,968 7,970 1,971 4.371,972 336.313,974 18,975 179.362,977 1,981 29.017,982 12.332,983 7.733,985 120.829,986 6.799,990 1.361,991 2.741,993 36.022,994 718.461,995 46.5,1000 39.032,1004 -0.694,1007 69.469,1008 78.156,1009 0.286,1010 0.579,1011 0.756,1012 0.828,1013 0.851,1014 0.851,1015 5.146,1016 1.809,1017 6.111,1018 5.205,1019 4.71,1020 5.091,1021 2.793,1022 6.956,1023 4.58,1024 6.365,1025 1.583,1026 7.712,1027 5.15,1028 4.575,1029 5.075,1030 2.125,1031 8.085,1032 4.396,1033 7.689,1034 1.496,1035 9.418,1036 4.455,1037 6.389,1038 7.193,1039 3.515,1040 11.095,1041 6.161,1042 9.043,1043 1.414,1044 11.186,1045 3.967,1046 7.004,1047 7.939,1048 3.506,1049 13.002,1050 6.738,1051 10.428,1052 1.301,1053 12.992,1054 3.852,1055 8.379,1056 9.624,1057 4.52,1058 15.608,1059 8.074,1060 11.833,1061 0.784,1062 14.826,1063 3.179,1064 9.306,1065 10.709,1066 4.826,1067 17.819,1068 8.97,1069 13.255,1070 0.656,1071 16.68,1072 1.91,1073 10.535,1074 12.234,1075 5.658,1076 20.302,1077 10.165,1078 3.37,1079 0.361,1080 18.549,1081 1.599,1082 11.598,1083 13.481,1084 6.127,1085 22.642,1086 11.199,1087 3.031,1088 11.845,1089 20.432,1090 0.847,1091 12.78,1092 14.94,1093 6.869,1094 25.09,1095 12.353,1096 2.961,1097 10.374,1098 22.324,1099 4.174,1100 13.903,1101 16.266,1102 7.424,1103 27.488,1104 13.449,1105 2.79,1106 9.465,1107 24.224,1108 3.985,1109 15.075,1110 17.698,1111 8.121,1112 29.93,1113 14.594,1114 2.488,1115 8.593,1116 26.132,1117 3.386,1118 16.228,1119 19.064,1120 8.722,1121 32.356,1122 15.721,1123 2.229,1124 7.765,1125 28.045,1126 3.117,1127 17.402,1128 20.485,1129 9.397,1130 34.802,1131 16.869,1132 2.173,1133 6.378,1134 29.964,1135 2.926,1136 18.572,1137 21.873,1138 10.024,1139 37.244,1140 18.012,1141 17665,1142 30974,1143 23.581,1144 46.176,1145 58.151,1146 61.332,1147 59.962,1148 57.263,1149 57.101,1150 68.675,1151 13.384,1152 169.647,1153 53.113,1154 5.541,1155 5.767,1156 6.677,1157 5.478,1158 5.37,1159 7.174,1160 3.348,1161 19.122,1162 5.263,1163 25.793,1164 1.53,1165 1.614,1166 1.578,1167 1.507,1168 1.503,1169 1.807,1170 0.352,1171 4.464,1172 1.398,1173 4.013,1174 4.036,1175 4.275,1176 3.997,1177 7.434,1178 3.943,1179 3.902,1180 3.922,1181 4.117,1182 3.856,1183 7.427,1184 3.844,1185 3.839,1186 3.89,1187 3.776,1188 3.654,1189 7.425,1190 3.667,1191 3.649,1192 3.729,1193 3.522,1194 3.475,1195 5.042,1196 3.469,1197 3.576,1198 3.636,1199 3.494,1200 3.392,1201 4.636,1202 3.39,1203 3.401,1204 3.444,1205 3.423,1206 3.121,1207 4.493,1208 3.166,1209 3.292,1210 3.376,1211 3.346,1212 3.102,1213 4.353,1214 3.096,1215 3.266,1216 3.322,1217 3.297,1218 3.04,1219 4.301,1220 3.048,1221 0.121,1222 0.099,1223 0.188,1224 0.114,1225 0.089,1226 4.583,1227 0.11,1228 3.767,1229 0.051,1230 7.14,1231 0.312,1232 4.336,1233 0.086,1234 3.37,1235 4.174,1236 1.94,1237 11.845,1238 3.263,1239 1.875,1240 1.858,1241 1.984,1242 1.967,1243 1.227,1244 1.967,1245 1.791,1246 1.754,1247 1.934,1248 1.95,1249 1.205,1250 1.949,1251 1.706,1252 1.647,1253 1.926,1254 1.919,1255 1.152,1256 1.941,1257 1.684,1258 1.637,1259 1.86,1260 1.876,1261 1.056,1262 1.881,1263 1.514,1264 1.457,1265 1.766,1266 1.767,1267 0.984,1268 1.77,1269 1.467,1270 1.401,1271 1.589,1272 1.682,1273 0.748,1274 1.662,1275 1.244,1276 1.204,1277 1.51,1278 1.473,1279 0.697,1280 1.462,1281 1.132,1282 1.036,1283 1.417,1284 1.374,1285 0.469,1286 1.42,1287 4.344,1289 5.694,1290 2.398,1291 7.203,1292 4.844,1293 8.785,1294 7.034,1295 10.409,1297 10.084,1298 12.251,1303 2.901,1305 5.518,1309 5.53,1310 -0.218,1314 42.995,1315 120.562,1316 243.987,1317 318.72,1318 349.184,1319 358.694,1320 358.694,1321 116.769,1322 7.704,1323 84.99,1324 113.23,1325 18,1326 12.751,1327 3.907,1328 3.248,1329 73.444,1330 162,1331 186,1332 0.212,1333 278.737,1334 491.36,1335 671.877,1336 24100,1337 2.9,1338 26.621,1339 0.739,1340 0.656,1341 27.974,1342 23.611,1343 16.862,1344 0.444,1345 0.35,1346 11.705,1347 15.233,1348 11.065,1349 9.242,1350 17.848,1351 13.319,1352 16.545,1353 0.301,1354 0.215,1355 17.875,1356 11.848,1357 12.499,1358 0.187,1359 0.121,1360 14.428,1361 8.116,1362 9.356,1363 0.116,1364 0.063,1365 10.766,1366 5.117,1367 7.366,1368 0.074,1369 0.035,1370 8.532,1371 3.524,1372 0.333,1373 116.086,1374 0.206,1375 32.878,1376 0.583,1377 186,1378 564.075,1379 260.379,1380 622.013,1381 807.8,1382 574,1383 215,1384 512.927,1385 286.92,1386 557.899,1387 813.78,1388 518,1389 4.523}
{0 CHEMBL1938680,1 1.609,2 12.963,3 4.068,4 16.546,5 106.706,6 8.125,7 0.567,8 3.961,9 4.072,10 3.606,11 3.535,12 5.055,13 3.517,14 4.484,15 4.639,16 3.973,17 3.918,18 5.571,19 3.88,20 4.748,21 4.956,22 3.973,23 4.024,24 5.801,25 3.941,26 4.706,27 4.917,28 3.819,29 3.958,30 5.733,31 3.861,32 4.655,33 4.884,34 3.72,35 3.878,36 5.656,37 3.771,38 4.528,39 4.754,40 3.702,41 3.719,42 5.586,43 3.632,44 4.344,45 4.566,46 3.554,47 3.548,48 5.434,49 3.468,50 4.177,51 4.393,52 3.402,53 3.438,54 5.234,55 3.361,56 0.037,57 0.669,58 8.499,59 4.078,60 5.606,61 5.119,62 0.173,63 1.091,64 16.649,65 6.784,66 17.437,67 8.698,68 0.483,69 1.317,70 27.504,71 9.386,72 43.514,73 12.234,74 0.277,75 1.224,76 26.142,77 9.605,78 35.686,79 12.422,80 0.263,81 1.147,82 24.064,83 9.523,84 38.451,85 12.555,86 0.305,87 1.013,88 22.364,89 7.908,90 37.077,91 10.338,92 0.302,93 0.857,94 19.181,95 6.046,96 32.408,97 7.807,98 0.252,99 0.735,100 15.626,101 5.308,102 23.609,103 6.928,104 5,105 41,106 0.273,107 0.565,108 0.671,109 0.791,110 0.812,111 0.812,112 3.339,113 0.93,114 -4.05,115 -4,116 -3.79,119 44.7,125 4,142 10,143 1,144 3,152 2,158 1,172 7,175 5,178 1,180 2,183 9,187 1,188 5,191 2,193 3,196 9,200 5,205 1,208 5,213 5,216 1,218 3,221 4,225 5,230 4,233 5,237 1,238 2,243 2,246 5,249 1,250 1,254 1,258 6,264 2,269 1,272 8,276 1150,277 18.516,278 18.516,279 18.516,280 18.516,281 18.516,282 16.418,283 21.036,284 11.03,285 18.871,286 14.819,287 14.819,288 14.819,289 14.819,290 14.819,291 11.649,292 29.654,293 5.278,294 15.43,295 3.945,296 2.222,297 1.6,298 0.894,299 0.766,300 0.766,301 4.039,302 1,304 1,305 1,306 1,307 770,308 2.739,311 81.751,312 293.502,319 2.112,320 22.091,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 57.833,332 350,333 4.361,334 3.578,335 6.259,336 3.992,337 2.993,338 4.024,339 1.058,340 9.452,341 2.989,342 4.151,343 3.108,344 6.143,345 3.821,346 2.869,347 3.705,348 0.8,349 9.056,350 2.739,351 4.007,352 2.982,353 5.937,354 3.658,355 2.675,356 3.53,357 0.4,358 8.335,359 2.624,360 3.713,361 2.749,362 5.31,363 3.337,364 2.385,365 3.047,367 6.833,368 2.272,369 3.561,370 2.505,371 5.037,372 3.146,373 2.219,374 2.857,376 6.056,377 1.993,378 3.079,379 2.032,380 4.486,381 2.772,382 1.818,383 2.25,385 4.595,386 1.724,387 2.936,388 1.997,389 4.378,390 2.545,391 1.562,392 1.999,394 4.194,395 1.493,396 2.5,397 1.45,398 3.825,399 2.097,400 1.167,401 1.5,403 2.796,404 1.081,405 2.5,406 1.258,407 3.494,408 2,409 1,410 1.5,412 2.524,413 1,414 2.44,415 1.146,416 3.414,417 2,418 1,419 1.371,421 2.275,422 1,423 2.251,424 1,425 3.414,426 1.967,427 1,428 1.219,430 2.275,431 0.965,432 2.158,433 1,434 3.267,435 1.925,436 0.932,437 1,439 2.136,440 0.908,441 2,442 0.709,443 3.247,444 1.663,445 0.663,446 0.982,448 1.631,449 0.661,450 1.282,451 0.532,452 2.735,453 0.93,454 -0.053,455 -0.066,457 -0.129,458 -0.051,459 1.113,460 0.319,461 2.41,462 0.639,463 -0.217,464 -0.275,466 -0.482,467 -0.15,468 13.081,469 0.484,470 0.571,471 0.021,472 36.25,473 1.343,474 18.5,475 0.685,476 17.75,477 0.657,478 19.609,479 0.726,480 28.319,481 0.603,482 25.858,483 0.958,484 7.323,485 0.271,486 5.864,487 0.217,488 0.08,490 0.298,496 0.781,497 1.261,498 0.627,499 0.946,500 0.585,501 0.867,502 0.9,503 1.191,504 0.757,505 0.972,506 0.575,507 0.947,508 1,509 0.887,510 0.979,511 0.905,512 0.795,513 0.947,514 1.08,515 1.032,516 0.953,517 1.064,518 1.012,519 1.054,520 0.883,521 0.938,522 0.68,523 0.948,524 1.109,525 0.955,526 0.971,527 1.068,528 0.732,529 0.973,530 1.056,531 0.938,532 1.308,533 0.966,534 0.998,535 0.852,536 1.395,537 0.888,538 1.046,539 0.806,540 0.9,541 0.841,542 1.52,543 0.868,544 5,545 0.106,546 3.111,547 1.063,548 1.176,549 0.82,550 0.437,551 0.346,552 0.256,553 0.076,554 10453,555 28297,556 2.142,557 42.6,559 18,562 2,567 1.694,568 2.051,569 3.655,570 0.231,572 1,577 75.634,578 1.609,579 3.332,580 3.954,581 4.661,582 4.789,583 4.789,584 3.115,585 4.31,586 4.725,587 3.807,588 1336.08,589 8.164,590 17920.6,592 1,594 1,595 261.066,596 1.218,597 4.706,598 0.167,599 0.005,600 0.076,601 0.027,602 0.035,603 0.026,604 0.016,605 0.014,606 0.012,607 0.003,608 0.381,609 0.5,610 1,611 0.454,612 136.905,613 -0.055,614 -0.116,615 0.026,616 -0.024,617 -0.046,618 0.018,619 -0.025,620 -0.073,621 -0.009,622 -0.059,623 0.062,624 -0.052,625 0.033,626 0.141,627 -0.056,628 0.041,629 0.087,630 -0.001,631 -0.104,632 -0.068,633 -0.083,634 -0.093,635 -0.016,636 -0.076,637 0.014,638 -0.015,639 0.087,640 0.028,641 -0.012,642 0.052,643 0.065,644 -0.116,645 0.133,646 -0.011,647 0.065,648 0.045,649 -0.111,650 0.053,651 -0.003,652 0.088,653 -0.071,654 0.052,655 0.009,656 0.213,657 0.011,658 0.104,659 -0.121,660 0.083,661 1.94,662 5.455,663 0.852,664 29.547,665 1.005,666 1.119,667 2.823,668 7.971,669 0.694,670 3.434,671 3.738,672 3.989,673 4.205,674 4.407,675 4.431,676 4.5,677 4.595,678 4.673,679 4.673,680 7.388,681 0.661,682 381.89,683 3.434,684 4.963,685 5.802,686 6.661,687 7.514,688 8.375,689 9.233,690 10.096,691 10.956,692 11.82,693 6.4,695 1,699 1,700 1,709 10,712 1,714 6,716 17,723 1,730 1,734 1,735 47,737 18,738 2,739 30,741 50,742 21,743 16,744 4,745 8,746 1,748 4,749 4,750 1,762 17,763 4,767 1,772 1,776 1,780 1,782 1,783 20,784 5,785 2,786 6,787 1,792 3,797 1,798 2,815 1,816 3,838 1,843 4,848 1,851 27,858 4,860 2,864 1,873 1,874 4.3,877 1,879 1,881 13.167,882 8.26,883 5.917,884 2.8,886 3.056,887 1.409,888 1.015,889 5.48,890 10.523,891 3.701,892 4.266,893 4.815,894 5.346,895 5.813,896 6.045,897 6.336,898 6.675,899 6.989,900 7.169,901 0.889,902 39,903 9.97,905 4.241,906 7.695,907 19.137,909 15.728,911 2.195,912 59.278,915 1,916 211.88,917 130.987,918 39.146,919 39.149,920 34.652,923 130.987,924 285.681,925 39.146,927 26.434,928 112.773,929 29.85,930 24.831,931 10.898,932 211.88,933 39.149,934 211.88,935 170.133,936 34.652,937 39.149,939 211.88,940 34.652,943 44.444,944 125.689,945 39.149,947 211.88,948 73.798,949 170.136,952 211.88,953 36.225,954 97.887,955 36.022,956 73.801,957 211.88,958 73.798,959 170.136,961 0.579,962 0.334,963 0.174,964 0.095,965 20,966 8,967 0.08,968 4,970 1,971 4.083,972 223.159,974 23,975 116.382,981 18.107,982 8.172,983 4.353,985 73.798,986 18.647,989 5.692,991 4.337,993 36.022,994 455.814,995 39.5,1000 12.455,1004 -0.273,1007 47.236,1008 52.595,1009 0.29,1010 0.6,1011 0.712,1012 0.839,1013 0.862,1014 0.862,1015 4.922,1016 1.167,1017 5.765,1018 4.194,1019 4.419,1020 4.952,1021 1.509,1022 6.526,1023 4.35,1024 6.103,1025 1,1026 7.292,1027 2.796,1028 3.892,1029 4.605,1030 0.325,1031 7.31,1032 3.762,1033 7.388,1034 1,1035 8.916,1036 2.524,1037 5.969,1038 7.074,1039 1.391,1040 10.369,1041 5.847,1042 8.706,1043 1,1044 10.597,1045 2.275,1046 6.275,1047 7.562,1048 0.268,1049 11.98,1050 6.118,1051 10.056,1052 0.932,1053 12.315,1054 2.275,1055 7.783,1056 9.464,1057 1.408,1058 14.518,1059 7.625,1060 11.426,1061 0.663,1062 14.058,1063 2.136,1064 8.471,1065 10.34,1066 0.188,1067 16.464,1068 8.295,1069 12.812,1070 -0.053,1071 15.818,1072 1.631,1073 9.736,1074 11.988,1075 1.463,1076 18.811,1077 9.553,1078 2.993,1079 -0.217,1080 17.591,1081 -0.129,1082 10.614,1083 13.071,1084 0.125,1085 20.905,1086 10.421,1087 2.869,1088 9.452,1089 19.373,1090 -0.482,1091 11.769,1092 14.59,1093 1.533,1094 23.177,1095 11.568,1096 2.675,1097 9.056,1098 21.162,1099 4.024,1100 12.742,1101 15.79,1102 0.082,1103 25.338,1104 12.535,1105 2.385,1106 8.335,1107 22.956,1108 3.705,1109 13.848,1110 17.241,1111 1.613,1112 27.58,1113 13.634,1114 2.219,1115 6.833,1116 24.755,1117 3.53,1118 14.87,1119 18.511,1120 0.054,1121 29.773,1122 14.651,1123 1.818,1124 6.056,1125 26.557,1126 3.047,1127 15.956,1128 19.924,1129 1.698,1130 32.004,1131 15.732,1132 1.562,1133 4.595,1134 28.362,1135 2.857,1136 17.003,1137 21.236,1138 0.035,1139 34.213,1140 16.776,1141 9750,1142 16237,1143 20.572,1144 32.637,1145 45.082,1146 45.971,1147 45.359,1148 44.8,1149 44.566,1150 57.967,1151 4.517,1152 124.321,1153 42.898,1154 5.361,1155 5.578,1156 6.061,1157 5.059,1158 4.993,1159 7.024,1160 2.117,1161 15.893,1162 4.989,1163 9.643,1164 1.503,1165 1.532,1166 1.512,1167 1.493,1168 1.486,1169 1.932,1170 0.151,1171 4.144,1172 1.43,1173 4.033,1174 4.051,1175 4.044,1176 3.934,1177 7.43,1178 3.941,1179 3.939,1180 3.973,1181 3.904,1182 3.849,1183 5.063,1184 3.85,1185 3.766,1186 3.805,1187 3.811,1188 3.641,1189 4.882,1190 3.653,1191 3.691,1192 3.734,1193 3.585,1194 3.519,1195 4.758,1196 3.524,1197 3.254,1198 3.296,1199 3.322,1200 3.031,1201 4.369,1202 3.064,1203 3.111,1204 3.206,1205 3.111,1206 2.941,1207 4.246,1208 2.91,1209 2.944,1210 3.023,1211 2.866,1212 2.79,1213 3.906,1214 2.784,1215 2.854,1216 2.925,1217 2.813,1218 2.735,1219 3.674,1220 2.715,1221 0.145,1222 0.119,1223 0.209,1224 0.133,1225 0.1,1226 4.361,1227 0.134,1228 3.578,1229 0.035,1230 6.259,1231 0.315,1232 3.992,1233 0.1,1234 2.993,1235 4.024,1236 1.058,1237 9.452,1238 2.989,1239 1.92,1240 1.886,1241 2.042,1242 2.06,1243 1.275,1244 2.059,1245 1.901,1246 1.882,1247 1.984,1248 1.97,1249 1.094,1250 1.981,1251 1.684,1252 1.615,1253 1.891,1254 1.895,1255 1.04,1256 1.896,1257 1.519,1258 1.498,1259 1.64,1260 1.688,1261 0.825,1262 1.661,1263 1.305,1264 1.3,1265 1.513,1266 1.484,1267 0.707,1268 1.473,1269 1.153,1270 1.064,1271 1.388,1272 1.376,1273 0.416,1274 1.429,1275 0.982,1276 0.924,1277 1.196,1278 1.266,1279 0.339,1280 1.245,1281 0.886,1282 0.821,1283 1.181,1284 1.098,1285 0.218,1286 1.107,1287 4.111,1289 5.416,1290 2.398,1291 6.911,1292 4.595,1293 8.482,1294 6.605,1295 10.09,1298 5.905,1303 3.969,1305 6.219,1309 2.326,1314 31.063,1315 75.634,1316 156.627,1317 185.846,1318 219.066,1319 225.066,1320 225.066,1321 39.216,1322 7.467,1323 57.51,1324 57.51,1325 23,1326 12.368,1327 4.248,1328 3.392,1329 40.556,1330 120,1331 114,1332 0.162,1333 192.998,1334 331.75,1335 462.674,1336 19199,1337 2.1,1338 18.64,1339 0.69,1340 0.574,1341 19.14,1342 15.5,1343 13.187,1344 0.44,1345 0.31,1346 8.837,1347 12.452,1348 8.656,1349 7.125,1350 13.475,1351 9.296,1352 11.745,1353 0.286,1354 0.167,1355 12.153,1356 6.845,1357 9.959,1358 0.188,1359 0.091,1360 10.247,1361 4.818,1362 7.974,1363 0.121,1364 0.049,1365 8.141,1366 3.227,1367 6.373,1368 0.079,1369 0.027,1370 6.587,1371 2.194,1372 0.263,1373 85.172,1374 0.22,1375 26.575,1376 0.423,1377 142,1378 405.985,1379 169.797,1380 422.658,1381 572.44,1382 396,1383 165,1384 402.969,1385 187.786,1386 415.334,1387 607.35,1388 393,1389 4.523}
{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 4,237 1,238 2,241 2,246 8,250 1,258 6,264 2,272 2,276 474,277 13.792,278 13.792,279 13.792,280 13.792,281 13.792,282 12.534,283 14.183,284 8.532,285 14.015,286 10.938,287 10.938,288 10.938,289 10.938,290 10.938,291 9.004,292 21.147,293 4.149,294 11.291,295 3.728,296 1.77,297 1.262,298 0.934,299 0.789,300 0.789,301 3.743,304 1,305 1,306 1,307 368,308 1.871,312 189.175,319 1.3,320 16.759,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 43,332 170,333 4.328,334 3.549,335 6.203,336 3.921,337 2.952,338 3.85,339 1.305,340 9.332,341 2.865,342 3.843,343 3.025,344 5.592,345 3.565,346 2.603,347 3.216,348 0.964,349 7.686,350 2.502,351 3.557,352 2.753,353 5.199,354 3.331,355 2.342,356 2.693,357 0.268,358 6.533,359 2.312,360 3.279,361 2.391,362 4.717,363 2.881,364 1.902,365 2.38,367 5.203,368 1.841,369 3.16,370 1.823,371 4.343,372 2.673,373 1.724,374 2.293,376 4.22,377 1.631,378 2.581,379 1.485,380 3.587,381 2.381,382 1.399,383 1.544,385 3.021,386 1.371,387 2.5,388 1.151,389 3.489,390 2.015,391 1.068,392 1.5,394 2.605,395 1.008,396 2.43,397 1,398 3.247,399 2,400 1,401 1.412,403 2.136,404 1,405 2,406 1,407 3.247,408 1.984,409 1,410 1,412 2.136,413 0.983,414 1.284,415 0.718,416 2.87,417 0.94,423 1,424 0.267,425 2.557,426 0.629,427 -0.387,428 -0.542,430 -0.991,431 -0.381,432 0.836,433 -0.332,434 2.24,435 0.446,436 -0.537,437 -0.638,439 -1.322,440 -0.529,441 0.5,442 -0.549,443 1.851,444 0.179,445 -0.793,446 -0.947,448 -1.846,449 -0.77,450 0.377,451 -0.867,452 1.555,454 -1,455 -1,457 -2.347,458 -0.946,459 0.215,460 -1,461 1.555,462 -0.049,463 -1,464 -1.348,466 -2.347,467 -1,468 9.433,469 0.472,470 0.362,471 0.018,472 23.75,473 1.188,474 10.5,475 0.525,476 13.25,477 0.663,478 15.501,479 0.775,480 21.767,481 0.573,482 14.709,483 0.735,484 4.397,485 0.22,486 5.413,487 0.271,488 0.035,490 0.265,496 0.789,497 1.398,498 0.826,499 1.116,500 0.55,501 0.99,502 0.552,503 1.178,504 0.936,505 1.189,506 0.47,507 1.129,508 1.025,509 1.036,510 0.976,511 0.956,512 0.852,513 0.952,514 0.695,515 1.034,516 0.819,517 0.926,518 0.559,519 0.888,520 1.233,521 0.941,522 0.911,523 0.801,524 1.019,525 0.794,526 1.736,527 1.085,528 1.169,529 0.99,530 1.746,531 0.993,532 1.641,533 0.77,534 1.276,535 0.997,536 2.186,537 1.094,538 1.054,539 0.94,540 1.16,541 1.171,542 1.513,543 1.204,544 3.5,545 0.016,546 1.111,547 1.063,548 0.716,549 0.486,550 0.364,551 0.165,552 0.029,553 0.023,554 3904,555 9100,556 2.138,557 47.4,558 6,559 4,561 2,562 2,564 4,567 1.619,568 2.069,569 3.106,570 0.361,572 1,574 1,577 57.759,578 1.52,579 3.478,580 3.985,581 4.313,582 4.458,583 4.458,584 2.522,585 3.622,586 4.295,587 3.201,588 608.21,589 7.342,590 6218.64,591 1,592 1,594 1,595 199.421,596 1.076,597 4.283,598 0.159,599 0.004,600 0.038,601 0.039,602 0.03,603 0.02,604 0.017,605 0.01,606 0.002,607 0.003,608 0.322,609 0.67,610 1,611 0.432,612 88.403,613 -0.058,614 -0.157,615 0.046,616 -0.023,617 0.01,618 0.02,619 0.237,620 -0.043,621 -0.027,622 -0.151,623 0.165,624 -0.137,625 -0.103,626 -0.058,627 -0.003,628 0.005,629 -0.032,630 0.016,631 0.188,632 -0.097,633 0.168,634 0.02,635 0.179,636 0.082,637 -0.087,638 0.066,639 0.097,640 0.109,641 -0.007,642 0.132,643 -0.286,644 -0.047,645 -0.158,646 -0.067,647 -0.165,648 -0.083,649 -0.107,650 0.198,651 -0.263,652 -0.033,653 -0.21,654 -0.156,655 -0.133,656 -0.049,657 -0.211,658 -0.117,659 -0.22,660 -0.173,661 1.801,662 4.775,663 0.9,664 14.13,665 0.998,666 1.134,667 2.374,668 5.638,669 0.653,670 3.135,671 3.401,672 3.611,673 3.871,674 4.078,675 4.025,676 4.111,677 4.174,678 4.174,679 4.111,680 5.092,681 0.618,682 270.37,683 3.135,684 4.635,685 5.451,686 6.301,687 7.133,688 7.991,689 8.83,690 9.691,691 10.534,692 11.396,693 10.5,695 1,700 1,702 1,703 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 4,797 1,798 1,809 1,816 3,829 1,834 2,838 1,843 3,851 20,858 5,860 2,863 1,874 2.6,877 1,881 9.667,882 6.567,883 4.444,884 2.497,886 1.715,887 1.262,888 0.981,889 4.003,890 8.26,891 3.367,892 3.839,893 4.301,894 4.817,895 5.288,896 5.387,897 5.668,898 5.907,899 6.088,900 6.032,901 0.833,902 27,903 7.402,905 3.121,906 7.675,907 14.38,909 11.893,911 2.175,912 43.5,913 0.001,916 188.338,917 71.742,918 69.593,920 25.145,923 71.742,924 213.483,925 69.593,927 30.683,928 46.439,929 72.934,930 38.066,931 1.899,932 164.795,934 188.338,935 141.335,936 25.145,939 141.253,940 72.229,943 83.575,944 28.742,945 29.019,947 188.338,948 94.737,949 71.742,952 188.338,953 25.219,954 46.524,955 36.022,956 58.716,957 188.338,958 94.737,959 71.742,961 0.564,962 0.314,963 0.179,964 0.101,965 14,966 5,967 0.075,968 3,970 1,971 3.346,972 146.74,974 18,975 78.439,981 13.166,982 6.081,983 3.397,985 94.737,986 7.108,987 3.98,991 0.901,993 36.022,994 354.817,995 28,1000 11.775,1002 1.515,1003 4.503,1004 1.107,1007 37.92,1008 43.109,1009 0.29,1010 0.663,1011 0.759,1012 0.822,1013 0.85,1014 0.85,1015 4.58,1016 1,1017 5.389,1018 2.605,1019 4.078,1020 4.522,1021 1.798,1022 6.111,1023 4.016,1024 5.728,1025 1,1026 6.878,1027 2.136,1028 3.434,1029 4.034,1030 0.623,1031 6.763,1032 3.355,1033 6.991,1035 8.464,1036 2.136,1037 5.572,1038 6.518,1039 1.956,1040 9.867,1041 5.447,1042 8.283,1043 -0.387,1044 10.109,1046 5.74,1047 6.833,1048 1.178,1049 11.367,1050 5.596,1051 9.608,1052 -0.537,1053 11.793,1054 -0.991,1055 7.324,1056 8.796,1057 2.224,1058 13.942,1059 7.139,1060 10.956,1061 -0.793,1062 13.504,1063 -1.322,1064 7.912,1065 9.537,1066 1.72,1067 15.823,1068 7.704,1069 12.323,1070 -1,1071 15.235,1072 -1.846,1073 9.226,1074 11.234,1075 2.565,1076 18.188,1077 8.98,1078 2.952,1079 -1,1080 16.981,1081 -2.347,1082 10.041,1083 12.22,1084 2.269,1085 20.25,1086 9.768,1087 2.603,1088 9.332,1089 18.738,1090 -2.347,1091 11.221,1092 13.768,1093 2.962,1094 22.529,1095 10.915,1096 2.342,1097 7.686,1098 20.505,1099 3.85,1100 12.157,1101 14.899,1102 2.823,1103 24.677,1104 11.821,1105 1.902,1106 6.533,1107 22.28,1108 3.216,1109 13.274,1110 16.362,1111 3.401,1112 26.923,1113 12.907,1114 1.724,1115 5.203,1116 24.062,1117 2.693,1118 14.274,1119 17.58,1120 3.377,1121 29.112,1122 13.877,1123 1.399,1124 4.22,1125 25.848,1126 2.38,1127 15.363,1128 18.994,1129 3.87,1130 31.346,1131 14.935,1132 1.068,1133 3.021,1134 27.64,1135 2.293,1136 16.397,1137 20.263,1138 3.928,1139 33.556,1140 15.939,1141 3756,1142 5878,1143 15.197,1144 24.807,1145 32.473,1146 33.023,1147 32.259,1148 31.991,1149 31.979,1150 39.776,1151 5.075,1152 85.743,1153 31.027,1154 5.328,1155 5.549,1156 6.005,1157 4.992,1158 4.952,1159 6.85,1160 2.416,1161 15.602,1162 4.865,1163 5.259,1164 1.476,1165 1.501,1166 1.466,1167 1.454,1168 1.454,1169 1.808,1170 0.231,1171 3.897,1172 1.41,1173 3.968,1174 4.013,1175 3.918,1176 3.849,1177 7.43,1178 3.858,1179 3.851,1180 3.904,1181 3.729,1182 3.739,1183 4.938,1184 3.727,1185 3.661,1186 3.714,1187 3.595,1188 3.463,1189 4.716,1190 3.493,1191 3.233,1192 3.309,1193 3.104,1194 3.031,1195 4.276,1196 3.033,1197 3.111,1198 3.206,1199 2.866,1200 2.941,1201 3.94,1202 2.91,1203 2.904,1204 2.966,1205 2.863,1206 2.735,1207 3.674,1208 2.715,1209 2.867,1210 2.926,1211 2.722,1212 2.674,1213 3.625,1214 2.696,1215 2.854,1216 2.925,1217 2.687,1218 2.61,1219 3.474,1220 2.656,1221 0.197,1222 0.161,1223 0.282,1224 0.178,1225 0.134,1226 4.328,1227 0.175,1228 3.549,1229 0.059,1230 6.203,1231 0.424,1232 3.921,1233 0.13,1234 2.952,1235 3.85,1236 1.305,1237 9.332,1238 2.865,1239 1.902,1240 1.865,1241 2.095,1242 2.057,1243 1.476,1244 2.064,1245 1.856,1246 1.805,1247 1.976,1248 1.989,1249 1.036,1250 1.995,1251 1.573,1252 1.526,1253 1.684,1254 1.801,1255 0.827,1256 1.773,1257 1.205,1258 1.128,1259 1.513,1260 1.444,1261 0.825,1262 1.458,1263 1.153,1264 1.064,1265 1.485,1266 1.376,1267 0.614,1268 1.429,1269 0.886,1270 0.821,1271 1.181,1272 1.09,1273 0.218,1274 1.107,1275 0.837,1276 0.757,1277 1.085,1278 1.062,1279 0.144,1280 1.102,1281 0.738,1282 0.701,1283 0.905,1284 1.054,1286 1.004,1287 3.807,1289 5.081,1291 6.558,1293 8.122,1295 9.729,1303 6.073,1305 6.121,1308 0.416,1314 23.488,1315 57.759,1316 132.148,1317 151.447,1318 163.911,1319 169.421,1320 169.421,1321 27.301,1322 6.545,1323 70.67,1324 70.67,1325 18,1326 11.949,1327 3.322,1328 2.807,1329 29.892,1330 61,1331 56,1332 0.243,1333 146.084,1334 257.03,1335 348.206,1336 5390,1338 13.786,1339 0.689,1340 0.565,1341 13.786,1342 11.302,1343 9.81,1344 0.446,1345 0.322,1346 7.013,1347 9.474,1348 6.91,1349 5.742,1350 9.81,1351 7.094,1352 8.576,1353 0.296,1354 0.179,1355 8.576,1356 5.194,1357 6.785,1358 0.188,1359 0.102,1360 6.785,1361 3.664,1362 5.88,1363 0.125,1364 0.056,1365 5.88,1366 2.637,1367 4.71,1368 0.081,1369 0.032,1370 4.71,1371 1.844,1372 0.374,1373 61.16,1374 0.257,1375 19.924,1376 0.687,1377 102,1378 279.691,1379 111.93,1380 273.142,1381 374.23,1382 256,1383 116,1384 276.791,1385 124.988,1386 279.356,1387 404.57,1388 264,1389 5.1}
{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 2,238 1,243 2,246 8,250 1,253 2,254 1,255 1,257 1,258 10,264 1,269 1,272 8,276 1035,277 18.309,278 18.309,279 18.309,280 18.309,281 18.309,282 15.515,283 17.311,284 10.791,285 18.738,286 14.831,287 14.831,288 14.831,289 14.831,290 14.831,291 10.69,292 24.218,293 5.145,294 15.516,295 3.808,296 1.772,297 0.989,298 0.489,299 0.381,300 0.335,301 4.038,304 1,305 1,306 1,307 703,308 3,311 62.79,312 262.4,315 118.128,319 1.953,320 20.371,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 57.5,332 320,333 4.666,334 3.563,335 6.884,336 4.192,337 3.229,338 4.626,339 1.656,340 11.489,341 3.118,342 4.1,343 3.244,344 5.857,345 3.717,346 2.745,347 3.686,348 0.247,349 8.081,350 2.664,351 4.033,352 2.744,353 5.617,354 3.603,355 2.625,356 3.648,358 7.758,359 2.563,360 3.733,361 2.649,362 5.391,363 3.364,364 2.391,365 3.078,367 7.082,368 2.317,369 3.468,370 2.327,371 5.034,372 3.075,373 2.095,374 2.81,376 5.716,377 2.045,378 3.416,379 2.136,380 4.901,381 2.863,382 1.99,383 2.741,385 5.674,386 1.745,387 3.165,388 2.058,389 4.542,390 2.738,391 1.743,392 2.381,394 4.688,395 1.703,396 2.977,397 1.539,398 4.38,399 2.442,400 1.493,401 2.182,403 4.009,404 1.409,405 2.658,406 1.24,407 3.81,408 2.179,409 1.182,410 1.729,412 2.689,413 1.178,414 2.553,415 1.088,416 3.479,417 2,418 1.064,419 1.577,421 2.585,422 1,423 2.5,424 1,425 3.414,426 1.994,427 1,428 1.5,430 2.275,431 0.979,432 2.187,433 0.807,434 3.313,435 1.573,436 0.744,437 1.053,439 1.81,440 0.602,441 1.322,442 0.624,443 2.949,444 1.016,445 0.072,446 0.085,448 0.194,449 0.067,450 1.182,451 0.275,452 2.508,453 0.764,454 -0.233,455 -0.304,457 -0.562,458 -0.227,459 1.042,460 -0.131,461 2.365,462 0.582,463 -0.335,464 -0.442,466 -0.77,467 -0.307,468 13.167,469 0.488,470 0.661,471 0.024,472 40.5,473 1.5,474 23,475 0.852,476 17.5,477 0.648,478 18.212,479 0.675,480 27.033,481 0.614,482 28.353,483 1.05,484 7.929,485 0.294,486 5.168,487 0.191,488 0.094,490 0.342,496 0.897,497 1.051,498 0.724,499 0.775,500 0.765,501 0.754,502 0.439,503 0.924,504 0.82,505 0.931,506 0.48,507 0.874,508 1.095,509 1.124,510 0.901,511 0.961,512 1.022,513 1.04,514 0.827,515 1.17,516 0.904,517 1.108,518 0.783,519 1.039,520 1.571,521 1.061,522 1.32,523 1.138,524 1.576,525 1.071,526 1.425,527 0.992,528 1.001,529 0.911,530 1.447,531 0.9,532 1.537,533 0.917,534 0.956,535 0.836,536 1.658,537 1.011,538 0.421,539 0.827,540 0.795,541 0.987,542 0.551,543 1.008,544 5.5,545 0.091,546 2.667,547 2.063,548 1.468,549 0.722,550 0.406,551 0.305,552 0.193,553 0.208,554 10041,555 28348,556 2.12,557 38.6,558 3,559 8,560 1,561 1,562 4,567 1.694,568 2,569 3.514,570 1.698,572 1,577 72.68,578 1.652,579 3.687,580 4.471,581 4.971,582 5.079,583 5.124,584 2.94,585 4.607,586 4.728,587 3.718,588 1304.95,589 8.171,590 17354.7,592 1,594 1,595 240.215,596 1.352,597 4.694,598 0.183,599 0.005,600 0.063,601 0.05,602 0.039,603 0.023,604 0.015,605 0.013,606 0.009,607 0.01,608 0.411,609 0.17,610 1,611 0.528,612 136.072,613 -0.138,614 0.032,615 0.035,616 0.105,617 -0.15,618 0.081,619 0.351,620 0.124,621 0.063,622 0.023,623 0.165,624 0.021,625 -0.17,626 -0.121,627 -0.086,628 -0.068,629 -0.148,630 -0.134,631 0.078,632 -0.206,633 0.097,634 -0.11,635 0.116,636 -0.047,637 -0.265,638 -0.075,639 -0.202,640 -0.096,641 -0.142,642 -0.094,643 -0.183,644 -0.031,645 -0.017,646 0.043,647 -0.079,648 0.081,649 -0.318,650 0.051,651 -0.149,652 0.014,653 -0.349,654 -0.079,655 0.294,656 0.056,657 0.126,658 -0.01,659 0.16,660 0.046,661 1.952,662 5.173,663 0.778,664 26.123,665 1.005,666 1.116,667 3.225,668 10.401,669 0.72,670 3.434,671 3.761,672 4.025,673 4.317,674 4.489,675 4.522,676 4.605,677 4.762,678 4.762,679 4.828,680 7.122,681 0.686,682 375.49,683 3.434,684 4.977,685 5.826,686 6.708,687 7.572,688 8.459,689 9.33,690 10.22,691 11.096,692 11.989,693 11.4,697 1,700 2,703 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 5,797 0.75,798 1,810 1,815 1,816 3,819 1,843 3,845 1,847 1,851 27,852 1,860 2,869 1,874 2.3,877 1,881 13.5,882 8.15,883 5.861,884 2.4,886 4.106,887 1.541,888 1.041,889 4.84,890 11.695,891 3.761,892 4.41,893 5.02,894 5.664,895 6.181,896 6.463,897 6.868,898 7.339,899 7.561,900 7.903,901 0.875,902 41,903 9.912,905 4.215,906 7.753,907 18.786,909 15.322,911 2.253,912 60.833,915 1,916 153.024,917 156.744,918 102.49,920 25.145,922 31.278,923 125.467,924 178.169,925 102.49,926 8.825,927 36.022,928 116.356,929 70.804,930 26.262,931 18.375,932 160.76,934 153.024,935 227.956,936 25.145,937 31.278,939 153.024,940 25.145,943 53.782,944 140.603,945 33.571,946 31.278,947 153.024,948 127.635,949 156.744,952 153.024,953 55.842,954 100.903,955 36.022,956 91.613,957 153.024,958 127.635,959 156.744,961 0.583,962 0.336,963 0.189,964 0.098,965 21,966 9,967 0.064,968 3,969 1,970 1.095,971 3.994,972 227.926,973 0.095,974 21,975 122.382,977 1,981 17.588,982 7.43,983 3.82,984 1.72,985 127.635,986 18.727,987 8.33,990 1.529,991 4.993,993 68.919,994 437.403,995 42,1000 12.173,1004 -0.285,1007 44.214,1008 49.112,1009 0.303,1010 0.675,1011 0.819,1012 0.91,1013 0.93,1014 0.939,1015 4.98,1016 1.493,1017 5.808,1018 4.688,1019 4.443,1020 5.097,1021 1.758,1022 6.611,1023 4.361,1024 6.205,1025 1.182,1026 7.357,1027 4.009,1028 4.007,1029 4.902,1030 1.195,1031 7.489,1032 3.917,1033 7.517,1034 1.064,1035 9.004,1036 2.689,1037 6.023,1038 7.352,1039 2.415,1040 10.607,1041 5.876,1042 8.865,1043 1,1044 10.712,1045 2.585,1046 6.399,1047 7.999,1048 2.324,1049 12.381,1050 6.237,1051 10.244,1052 0.744,1053 12.461,1054 2.275,1055 7.888,1056 9.914,1057 3.244,1058 15.029,1059 7.682,1060 11.647,1061 0.072,1062 14.241,1063 1.81,1064 8.658,1065 10.992,1066 3.407,1067 17.197,1068 8.427,1069 13.07,1070 -0.233,1071 16.046,1072 0.194,1073 9.932,1074 12.675,1075 4.156,1076 19.697,1077 9.664,1078 3.229,1079 -0.335,1080 17.872,1081 -0.562,1082 10.899,1083 13.979,1084 4.464,1085 22.031,1086 10.6,1087 2.745,1088 11.489,1089 19.715,1090 -0.77,1091 12.088,1092 15.563,1093 5.111,1094 24.486,1095 11.754,1096 2.625,1097 8.081,1098 21.572,1099 4.626,1100 13.153,1101 16.981,1102 5.504,1103 26.885,1104 12.783,1105 2.391,1106 7.758,1107 23.442,1108 3.686,1109 14.313,1110 18.526,1111 6.091,1112 29.329,1113 13.908,1114 2.095,1115 7.082,1116 25.321,1117 3.648,1118 15.425,1119 20,1120 6.531,1121 31.753,1122 14.984,1123 1.99,1124 5.716,1125 27.209,1126 3.078,1127 16.579,1128 21.531,1129 7.083,1130 34.194,1131 16.103,1132 1.743,1133 5.674,1134 29.104,1135 2.81,1136 17.716,1137 23.033,1138 7.551,1139 36.628,1140 17.203,1141 9415,1142 15989,1143 20.285,1144 31.699,1145 45.308,1146 45.843,1147 46.346,1148 44.638,1149 44.744,1150 62.193,1151 3.806,1152 128.101,1153 42.782,1154 5.533,1155 5.563,1156 6.441,1157 5.299,1158 5.229,1159 7.626,1160 2.912,1161 18.662,1162 5.118,1163 11.774,1164 1.51,1165 1.528,1166 1.545,1167 1.488,1168 1.491,1169 2.073,1170 0.127,1171 4.27,1172 1.426,1173 4.093,1174 4.111,1175 4.324,1176 4.08,1177 7.431,1178 4.043,1179 3.932,1180 3.966,1181 3.884,1182 3.859,1183 5.222,1184 3.855,1185 3.829,1186 3.864,1187 3.802,1188 3.759,1189 4.803,1190 3.748,1191 3.442,1192 3.491,1193 3.443,1194 3.188,1195 4.754,1196 3.226,1197 3.267,1198 3.32,1199 3.38,1200 3.121,1201 4.697,1202 3.108,1203 3.144,1204 3.222,1205 3,1206 2.985,1207 4.268,1208 2.968,1209 3,1210 3.107,1211 2.929,1212 2.812,1213 4.018,1214 2.791,1215 2.866,1216 2.94,1217 2.751,1218 2.735,1219 3.859,1220 2.715,1221 0.156,1222 0.119,1223 0.229,1224 0.14,1225 0.108,1226 4.666,1227 0.154,1228 3.563,1229 0.055,1230 6.884,1231 0.383,1232 4.192,1233 0.104,1234 3.229,1235 4.626,1236 1.656,1237 11.489,1238 3.118,1239 1.948,1240 1.925,1241 2.042,1242 2.043,1243 1.157,1244 2.041,1245 1.911,1246 1.882,1247 2.022,1248 2.001,1249 1.13,1250 2.009,1251 1.748,1252 1.716,1253 1.789,1254 1.903,1255 0.872,1256 1.886,1257 1.389,1258 1.375,1259 1.56,1260 1.613,1261 0.617,1262 1.585,1263 1.266,1264 1.217,1265 1.414,1266 1.411,1267 0.583,1268 1.456,1269 1.139,1270 1.075,1271 1.294,1272 1.348,1273 0.301,1274 1.378,1275 0.893,1276 0.839,1277 1.181,1278 1.23,1279 0.218,1280 1.225,1281 0.886,1282 0.821,1283 1.162,1284 1.062,1285 0.144,1286 1.107,1287 4.111,1289 5.434,1290 2.398,1291 6.946,1292 4.727,1293 8.547,1294 6.862,1295 10.193,1297 1.98,1301 6.009,1305 5.658,1314 30.17,1315 72.68,1316 162.241,1317 196.705,1318 218.705,1319 223.46,1320 225.46,1321 37.104,1322 7.589,1323 92.93,1324 121.17,1325 23,1326 12.519,1327 4.585,1328 3.7,1329 40.549,1330 119,1331 99,1332 0.169,1333 189.941,1334 314.78,1335 455.216,1336 22050,1338 18.803,1339 0.696,1340 0.57,1341 19.156,1342 15.378,1343 13.097,1344 0.437,1345 0.307,1346 8.316,1347 12.275,1348 8.009,1349 6.688,1350 13.551,1351 9.207,1352 11.982,1353 0.285,1354 0.166,1355 12.533,1356 6.972,1357 9.814,1358 0.178,1359 0.091,1360 10.488,1361 5.016,1362 8.669,1363 0.117,1364 0.051,1365 9.53,1366 3.784,1367 6.625,1368 0.075,1369 0.027,1370 7.378,1371 2.402,1372 0.272,1373 85.716,1374 0.222,1375 26.359,1376 0.444,1377 144,1378 405.864,1379 177.906,1380 426.052,1381 588.56,1382 398,1383 169,1384 426.318,1385 198.864,1386 452.284,1387 657.73,1388 424,1389 6.3}
{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 5,238 6,243 3,246 3,248 3,249 1,250 4,252 2,253 2,254 1,255 2,257 2,258 2,260 2,262 1,264 3,269 3,274 3,276 695,277 15.137,278 15.137,279 15.137,280 15.137,281 15.137,282 12.892,283 9.269,284 8.735,285 15.329,286 12.301,287 12.301,288 12.301,289 12.301,290 12.301,291 8.966,292 6.931,293 4.114,294 12.625,295 3.765,296 1.656,297 0.928,298 0.488,299 0.338,300 0.338,301 3.863,304 1,305 1,306 1,307 386,308 2.646,311 60.596,312 148.964,319 1.187,320 21.755,321 1,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 49.5,332 183,333 4.601,334 3.561,335 6.831,336 4.225,337 3.239,338 4.333,339 0.98,340 11.287,341 3.196,342 4.25,343 3.157,344 6.256,345 3.855,346 2.873,347 3.899,349 9.296,350 2.828,351 4.03,352 2.901,353 6.009,354 3.626,355 2.648,356 3.592,358 8.397,359 2.583,360 3.565,361 2.543,362 5.315,363 3.132,364 2.192,365 2.896,367 6.142,368 2.08,369 3.41,370 2.23,371 5.038,372 3.052,373 2.058,374 2.668,376 6.019,377 2.008,378 2.972,379 1.787,380 4.455,381 2.493,382 1.513,383 2.143,385 4.116,386 1.476,387 2.866,388 1.518,389 4.12,390 2.414,391 1.414,392 2.028,394 3.225,395 1.414,396 2.69,397 1.318,398 3.837,399 2.189,400 1.222,401 1.763,403 3.035,404 1.178,405 2.433,406 1.046,407 3.548,408 1.919,409 0.965,410 1.395,412 2.475,413 0.918,414 2.273,415 1.009,416 3.467,417 1.74,418 0.761,419 1.109,421 2.02,422 0.739,423 1.34,424 0.419,425 2.73,426 1.101,427 0.108,428 0.127,430 0.243,431 0.107,432 0.949,433 0.101,434 2.509,435 0.537,436 -0.398,437 -0.505,439 -0.887,440 -0.368,441 0.908,442 -0.247,443 2.358,444 0.513,445 -0.47,446 -0.615,448 -1.143,449 -0.465,450 0.691,451 -0.337,452 2,453 0.234,454 -0.718,455 -0.947,457 -2,458 -0.682,459 0.498,460 -0.697,461 2,462 0.056,463 -1,464 -1.232,466 -2.029,467 -1.005,468 10.833,469 0.471,470 0.703,471 0.031,472 32.75,473 1.424,474 18,475 0.783,476 14.75,477 0.641,478 16.445,479 0.715,480 23.967,481 0.599,482 23.878,483 1.038,484 6.64,485 0.289,486 4.329,487 0.188,488 0.197,490 0.415,496 0.938,497 1.124,498 0.81,499 0.882,500 0.885,501 0.821,502 0.457,503 0.942,504 0.641,505 0.89,506 0.391,507 0.812,508 1.017,509 1.121,510 0.999,511 1.073,512 0.916,513 1.042,514 0.843,515 1.24,516 1.089,517 1.27,518 0.862,519 1.228,520 0.786,521 0.915,522 0.888,523 0.967,524 0.73,525 0.947,526 1.065,527 1.015,528 0.973,529 1.017,530 1.058,531 0.985,532 1.515,533 1.152,534 1.15,535 1.135,536 1.763,537 1.11,538 1.328,539 0.876,540 1.165,541 0.936,542 1.544,543 1.025,544 5,545 0.025,546 3.111,547 1.785,548 1.741,549 1.042,550 0.598,551 0.347,552 0.193,553 0.096,554 4908,555 13942,556 2.016,557 42.5,558 6,559 5,561 1,562 5,567 1.664,568 1.84,569 3.023,570 2.675,571 1,572 1,574 1,577 62.294,578 1.557,579 3.666,580 4.394,581 4.834,582 4.984,583 4.984,584 2.442,585 4.35,586 4.496,587 3.157,588 798.847,589 7.778,590 8874.43,591 1,592 1,593 1,594 1,595 212.877,596 1.538,597 4.428,598 0.2,599 0.006,600 0.086,601 0.048,602 0.05,603 0.032,604 0.019,605 0.014,606 0.011,607 0.01,608 0.476,609 0.33,610 1,611 0.872,612 105.287,613 -0.166,614 0.061,615 -0.002,616 0.114,617 -0.204,618 0.093,619 0.291,620 0.145,621 0.222,622 0.13,623 0.254,624 0.155,625 -0.123,626 -0.039,627 -0.13,628 -0.071,629 -0.087,630 -0.098,631 0.012,632 -0.205,633 -0.192,634 -0.272,635 -0.061,636 -0.267,637 0.048,638 0.021,639 0.095,640 0.032,641 0.044,642 0.065,643 0.016,644 -0.045,645 0.015,646 -0.052,647 0.067,648 -0.02,649 -0.202,650 -0.228,651 -0.134,652 -0.168,653 -0.184,654 -0.148,655 0.043,656 0.05,657 -0.108,658 -0.007,659 0.016,660 -0.077,661 2.162,662 4.848,663 0.739,664 16.817,665 1.003,666 1.13,667 2.13,668 4.538,669 0.676,670 3.258,671 3.611,672 3.892,673 4.159,674 4.382,675 4.477,676 4.554,677 4.625,678 4.654,679 4.595,680 5.085,681 0.65,682 307.39,683 3.258,684 4.812,685 5.673,686 6.567,687 7.452,688 8.352,689 9.246,690 10.149,691 11.049,692 11.954,693 12.5,697 1,700 1,701 1,703 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 5,797 1,798 1,810 1,811 1,815 1,816 2,843 3,847 2,851 23,852 2,874 2.5,877 1,881 12.5,882 7.733,883 5,884 2.175,886 3.072,887 1.446,888 1.015,889 3.886,890 9.959,891 3.57,892 4.223,893 4.835,894 5.443,895 5.97,896 6.312,897 6.704,898 7.116,899 7.481,900 7.768,901 1,902 37,903 8.433,905 3.571,906 7.87,907 15.793,909 12.731,911 2.37,912 54.5,915 1,916 141.253,917 101.695,918 116.151,920 25.145,923 101.695,924 166.398,925 116.151,926 17.65,927 32.897,928 80.278,929 75.192,930 41.332,931 7.413,932 129.482,934 141.253,935 217.846,936 25.145,939 141.253,940 25.145,943 81.036,944 103.239,945 33.571,947 141.253,948 141.296,949 101.695,952 141.253,953 27.616,954 74.079,955 16.786,956 124.51,957 141.253,958 141.296,959 101.695,961 0.592,962 0.349,963 0.185,964 0.104,965 18,966 9,967 0.071,968 3,970 1,971 3.362,972 188.824,974 17,975 102.042,981 15.254,982 5.859,983 2.832,985 124.51,986 10.92,987 8.049,988 3.244,991 5.723,993 82.58,994 384.244,995 34.5,1000 11.848,1004 -0.495,1007 40.138,1008 45.192,1009 0.293,1010 0.689,1011 0.826,1012 0.908,1013 0.937,1014 0.937,1015 4.806,1016 1.222,1017 5.687,1018 3.225,1019 4.29,1020 4.909,1021 1.072,1022 6.535,1023 4.244,1024 6.051,1025 0.965,1026 7.277,1027 3.035,1028 4.007,1029 4.796,1031 7.516,1032 3.952,1033 7.378,1034 0.761,1035 8.968,1036 2.475,1037 5.922,1038 7.153,1039 1.045,1040 10.637,1041 5.838,1042 8.743,1043 0.108,1044 10.716,1045 2.02,1046 6.431,1047 7.837,1049 12.435,1050 6.344,1051 10.137,1052 -0.398,1053 12.5,1054 0.243,1055 7.858,1056 9.68,1057 1.019,1058 15.089,1059 7.747,1060 11.553,1061 -0.47,1062 14.308,1063 -0.887,1064 8.717,1065 10.738,1067 17.225,1068 8.602,1069 12.987,1070 -0.718,1071 16.136,1072 -1.143,1073 9.962,1074 12.362,1075 0.993,1076 19.717,1077 9.829,1078 3.239,1079 -1,1080 17.977,1081 -2,1082 10.979,1083 13.607,1085 22.004,1086 10.839,1087 2.873,1088 11.287,1089 19.829,1090 -2.029,1091 12.158,1092 15.132,1093 0.967,1094 24.44,1095 12.002,1096 2.648,1097 9.296,1098 21.689,1099 4.333,1100 13.247,1101 16.473,1103 26.794,1104 13.083,1105 2.192,1106 8.397,1107 23.557,1108 3.899,1109 14.404,1110 17.953,1111 0.942,1112 29.212,1113 14.226,1114 2.058,1115 6.142,1116 25.431,1117 3.592,1118 15.528,1119 19.344,1121 31.599,1122 15.34,1123 1.513,1124 6.019,1125 27.31,1126 2.896,1127 16.681,1128 20.805,1129 0.917,1130 34.014,1131 16.48,1132 1.414,1133 4.116,1134 29.193,1135 2.668,1136 17.823,1137 22.224,1139 36.416,1140 17.61,1141 4889,1142 8360,1143 16.126,1144 27.051,1145 38.579,1146 38.967,1147 40.153,1148 38.021,1149 37.986,1150 51.91,1151 1.96,1152 112.508,1153 37.051,1154 5.292,1155 5.561,1156 6.383,1157 5.297,1158 5.239,1159 7.333,1160 1.96,1161 18.726,1162 5.196,1163 13.082,1164 1.543,1165 1.559,1166 1.606,1167 1.521,1168 1.519,1169 2.076,1170 0.078,1171 4.5,1172 1.482,1173 4.088,1174 4.121,1175 4.054,1176 4.002,1177 7.437,1178 4.009,1179 3.869,1180 3.909,1181 3.817,1182 3.774,1183 5.237,1184 3.781,1185 3.703,1186 3.754,1187 3.654,1188 3.535,1189 4.924,1190 3.559,1191 3.289,1192 3.357,1193 3.214,1194 3.048,1195 4.807,1196 3.03,1197 3.181,1198 3.262,1199 2.993,1200 2.986,1201 4.653,1202 3.01,1203 3.132,1204 3.227,1205 2.936,1206 2.939,1207 4.489,1208 2.948,1209 3.015,1210 3.127,1211 2.847,1212 2.74,1213 3.926,1214 2.762,1215 2.718,1216 2.789,1217 2.577,1218 2.559,1219 3.891,1220 2.545,1221 0.184,1222 0.142,1223 0.273,1224 0.169,1225 0.13,1226 4.601,1227 0.173,1228 3.561,1229 0.039,1230 6.831,1231 0.451,1232 4.225,1233 0.128,1234 3.239,1235 4.333,1236 0.98,1237 11.287,1238 3.196,1239 1.963,1240 1.94,1241 2.07,1242 2.04,1243 1.228,1244 2.05,1245 1.797,1246 1.755,1247 1.876,1248 1.972,1249 0.908,1250 1.947,1251 1.547,1252 1.523,1253 1.655,1254 1.733,1255 0.748,1256 1.706,1257 1.336,1258 1.269,1259 1.56,1260 1.593,1261 0.616,1262 1.569,1263 1.214,1264 1.139,1265 1.535,1266 1.418,1267 0.561,1268 1.471,1269 1.146,1270 1.058,1271 1.433,1272 1.401,1273 0.435,1274 1.436,1275 0.944,1276 0.844,1277 1.246,1278 1.285,1280 1.289,1281 0.899,1282 0.813,1283 1.195,1284 1.22,1286 1.228,1287 3.932,1289 5.273,1290 2.398,1291 6.806,1292 4.727,1293 8.426,1294 6.862,1295 10.091,1297 4.038,1301 11.173,1314 25.983,1315 62.294,1316 146.638,1317 175.758,1318 193.367,1319 199.367,1320 199.367,1321 36.154,1322 6.887,1323 110.68,1324 110.68,1325 17,1326 12.474,1327 4.248,1328 3.392,1329 36.528,1330 69,1331 65,1332 0.265,1333 163.281,1334 272.91,1335 390.166,1336 7503,1338 16.56,1339 0.72,1340 0.562,1341 16.56,1342 12.921,1343 10.969,1344 0.439,1345 0.286,1346 7.073,1347 10.627,1348 6.819,1349 5.718,1350 10.969,1351 7.154,1352 10.266,1353 0.285,1354 0.15,1355 10.266,1356 5.383,1357 8.519,1358 0.177,1359 0.081,1360 8.519,1361 3.907,1362 6.925,1363 0.11,1364 0.04,1365 6.925,1366 2.545,1367 5.518,1368 0.07,1369 0.021,1370 5.518,1371 1.648,1372 0.399,1373 68.241,1374 0.249,1375 22.015,1376 0.784,1377 122,1378 343.983,1379 132.263,1380 344.375,1381 475.42,1382 320,1383 145,1384 358.862,1385 154.349,1386 368.411,1387 536.18,1388 346,1389 5.1}
{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 2,238 2,243 3,246 12,248 1,250 3,255 4,258 11,260 1,264 1,269 1,272 8,276 1030,277 18.309,278 18.309,279 18.309,280 18.309,281 18.309,282 15.515,283 16.003,284 10.791,285 18.434,286 14.831,287 14.831,288 14.831,289 14.831,290 14.831,291 10.69,292 20.616,293 5.143,294 15.015,295 4.097,296 2.122,297 1.241,298 0.516,299 0.356,300 0.356,301 4.038,304 1,305 1,306 1,307 675,308 3,311 62.779,312 262.472,315 117.778,319 1.959,320 18.589,322 1,323 0.75,324 1,325 1,326 0.6,328 1,329 1,330 0.76,331 57,332 307,333 4.661,334 3.629,335 6.879,336 4.21,337 3.223,338 4.621,339 1.987,340 11.471,341 3.18,342 4.105,343 3.24,344 5.887,345 3.738,346 2.748,347 3.701,348 0.324,349 8.171,350 2.718,351 4.044,352 2.758,353 5.618,354 3.627,355 2.639,356 3.654,358 7.772,359 2.605,360 3.755,361 2.688,362 5.395,363 3.412,364 2.413,365 3.118,367 7.102,368 2.405,369 3.476,370 2.401,371 4.956,372 3.093,373 2.101,374 2.758,376 5.724,377 2.08,378 3.344,379 2.137,380 4.9,381 2.872,382 1.913,383 2.702,385 5.401,386 1.832,387 3.168,388 1.984,389 4.558,390 2.757,391 1.749,392 2.384,394 4.71,395 1.756,396 2.953,397 1.552,398 4.41,399 2.467,400 1.474,401 2.144,403 4.114,404 1.462,405 2.658,406 1.24,407 3.817,408 2.18,409 1.181,410 1.729,412 2.803,413 1.179,414 2.631,415 1.187,416 3.479,417 2.138,418 1.156,419 1.692,421 2.587,422 1.132,423 2.5,424 1,425 3.414,426 2,427 1,428 1.5,430 2.275,431 1,432 2.174,433 0.818,434 3.326,435 1.704,436 0.721,437 1.031,439 1.751,440 0.707,441 1.35,442 0.669,443 2.947,444 1.072,445 0.088,446 0.104,448 0.234,449 0.086,450 1.184,451 0.331,452 2.555,453 0.781,454 -0.222,455 -0.292,457 -0.543,458 -0.221,459 0.889,460 -0.131,461 2.314,462 0.568,463 -0.43,464 -0.531,466 -1.005,467 -0.429,468 12.933,469 0.479,470 0.661,471 0.024,472 39,473 1.444,474 22.5,475 0.833,476 16.5,477 0.611,478 18.489,479 0.685,480 27.267,481 0.58,482 28.168,483 1.043,484 7.893,485 0.292,486 5.204,487 0.193,488 0.095,490 0.348,496 0.798,497 0.916,498 0.795,499 0.828,500 0.742,501 0.805,502 0.536,503 1.077,504 0.795,505 1.005,506 0.542,507 0.945,508 1.106,509 1.087,510 1.099,511 1.096,512 1.124,513 1.1,514 0.861,515 1.139,516 0.937,517 1.093,518 0.744,519 1.034,520 1.495,521 1.036,522 1.131,523 1.029,524 1.538,525 1.039,526 1.251,527 0.937,528 1.032,529 0.954,530 1.317,531 0.967,532 1.2,533 0.909,534 1.127,535 1.005,536 1.395,537 1.057,538 0.496,539 0.952,540 0.762,541 0.987,542 0.558,543 0.925,544 5.5,545 0.11,546 2.667,547 2.16,548 1.208,549 0.847,550 0.451,551 0.277,552 0.195,553 0.192,554 9969,555 24998,556 2.12,557 42.6,558 3,559 11,562 4,563 2,567 1.695,568 2,569 3.444,570 1.624,572 1,577 68.52,578 1.458,579 3.433,580 4.314,581 5.038,582 5.198,583 5.198,584 2.852,585 4.459,586 4.729,587 3.687,588 1294.26,589 8.174,590 17230.3,592 1,594 1,595 261.066,596 1.352,597 4.694,598 0.183,599 0.006,600 0.063,601 0.053,602 0.032,603 0.026,604 0.016,605 0.013,606 0.009,607 0.01,608 0.41,610 1,611 0.528,612 135.876,613 -0.023,614 0.203,615 0.023,616 0.125,617 -0.114,618 0.089,619 0.181,620 -0.036,621 0.06,622 -0.023,623 0.08,624 -0.003,625 -0.119,626 -0.068,627 -0.186,628 -0.126,629 -0.145,630 -0.16,631 0.016,632 -0.171,633 0.032,634 -0.108,635 0.104,636 -0.047,637 -0.191,638 -0.052,639 -0.129,640 -0.067,641 -0.109,642 -0.085,643 -0.117,644 0.012,645 -0.012,646 0.028,647 -0.069,648 0.024,649 -0.166,650 0.017,651 -0.127,652 -0.003,653 -0.204,654 -0.053,655 0.144,656 -0.069,657 0.229,658 0.051,659 0.123,660 0.133,661 1.7,662 5.293,663 0.778,664 25.783,665 0.996,666 1.118,667 4.157,668 17.279,669 0.693,670 3.434,671 3.761,672 4.025,673 4.317,674 4.489,675 4.5,676 4.605,677 4.745,678 4.727,679 4.812,680 7.056,681 0.66,682 356.46,683 3.434,684 4.977,685 5.826,686 6.708,687 7.572,688 8.458,689 9.329,690 10.217,691 11.092,692 11.983,693 8.5,697 1,700 1,701 1,703 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 4,797 0.75,798 1,807 1,815 1,816 3,819 1,829 1,843 3,847 1,851 27,852 1,858 1,860 1,874 2.1,877 1,881 13.5,882 8.617,883 5.861,884 2.663,886 4.099,887 1.542,888 1.04,889 4.654,890 11.666,891 3.761,892 4.41,893 5.02,894 5.664,895 6.181,896 6.439,897 6.868,898 7.317,899 7.515,900 7.881,901 1,902 41,903 9.936,905 4.233,906 7.704,907 18.993,909 15.652,911 2.204,912 59.5,915 1,916 188.338,917 142.847,918 84.234,920 25.145,923 142.847,924 213.483,925 84.234,926 8.825,927 20.545,928 137.136,929 46.513,930 34.735,931 4.472,932 188.338,934 188.338,935 227.081,936 25.145,939 188.338,940 25.145,943 46.033,944 164.385,945 16.663,947 188.338,948 109.379,949 142.847,952 188.338,953 29.783,954 113.064,955 34.674,956 74.705,957 188.338,958 109.379,959 142.847,961 0.583,962 0.337,963 0.19,964 0.099,965 21,966 9,967 0.08,968 4,969 1,970 1.095,971 3.984,972 228.412,973 0.095,974 21,975 122.382,981 17.317,982 7.256,983 3.712,984 1.828,985 92.716,986 21.691,987 4.085,988 2.935,991 5.438,993 67.571,994 440.564,995 42,1000 12.293,1004 -0.033,1007 46.803,1008 52.524,1009 0.262,1010 0.618,1011 0.777,1012 0.907,1013 0.936,1014 0.936,1015 4.98,1016 1.474,1017 5.808,1018 4.71,1019 4.443,1020 5.097,1021 2.076,1022 6.611,1023 4.419,1024 6.205,1025 1.181,1026 7.357,1027 4.114,1028 4.007,1029 4.902,1030 1.593,1031 7.489,1032 3.973,1033 7.517,1034 1.156,1035 9.004,1036 2.803,1037 6.023,1038 7.352,1039 3.1,1040 10.607,1041 5.976,1042 8.865,1043 1,1044 10.712,1045 2.587,1046 6.399,1047 7.999,1048 3.168,1049 12.381,1050 6.338,1051 10.244,1052 0.721,1053 12.461,1054 2.275,1055 7.888,1056 9.914,1057 4.312,1058 15.027,1059 7.816,1060 11.647,1061 0.088,1062 14.241,1063 1.751,1064 8.658,1065 10.992,1066 4.654,1067 17.194,1068 8.571,1069 13.07,1070 -0.222,1071 16.046,1072 0.234,1073 9.93,1074 12.674,1075 5.601,1076 19.691,1077 9.832,1078 3.223,1079 -0.43,1080 17.872,1081 -0.543,1082 10.896,1083 13.977,1084 6.091,1085 22.022,1086 10.783,1087 2.748,1088 11.471,1089 19.714,1090 -1.005,1091 12.083,1092 15.559,1093 6.927,1094 24.475,1095 11.958,1096 2.639,1097 8.171,1098 21.571,1099 4.621,1100 13.145,1101 16.976,1102 7.5,1103 26.871,1104 13.005,1105 2.413,1106 7.772,1107 23.44,1108 3.701,1109 14.303,1110 18.519,1111 8.273,1112 29.312,1113 14.149,1114 2.101,1115 7.102,1116 25.319,1117 3.654,1118 15.413,1119 19.991,1120 8.894,1121 31.734,1122 15.244,1123 1.913,1124 5.724,1125 27.206,1126 3.118,1127 16.564,1128 21.52,1129 9.631,1130 34.173,1131 16.382,1132 1.749,1133 5.401,1134 29.1,1135 2.758,1136 17.698,1137 23.02,1138 10.279,1139 36.605,1140 17.502,1141 9347,1142 14925,1143 20.285,1144 32.569,1145 45.339,1146 46,1147 46.374,1148 44.799,1149 44.811,1150 62.276,1151 4.622,1152 128.228,1153 44.284,1154 5.527,1155 5.629,1156 6.436,1157 5.224,1158 5.223,1159 7.621,1160 3.497,1161 18.697,1162 5.18,1163 11.776,1164 1.511,1165 1.533,1166 1.546,1167 1.493,1168 1.494,1169 2.076,1170 0.154,1171 4.274,1172 1.476,1173 4.135,1174 4.171,1175 4.103,1176 4.053,1177 7.429,1178 4.06,1179 3.942,1180 3.977,1181 3.881,1182 3.863,1183 5.248,1184 3.862,1185 3.86,1186 3.893,1187 3.797,1188 3.789,1189 4.791,1190 3.787,1191 3.485,1192 3.528,1193 3.416,1194 3.292,1195 4.752,1196 3.315,1197 3.358,1198 3.424,1199 3.267,1200 3.173,1201 4.664,1202 3.189,1203 3.164,1204 3.245,1205 2.993,1206 3.024,1207 4.313,1208 3.004,1209 3.029,1210 3.111,1211 2.912,1212 2.871,1213 3.996,1214 2.876,1215 2.89,1216 2.987,1217 2.736,1218 2.735,1219 3.837,1220 2.715,1221 0.155,1222 0.121,1223 0.229,1224 0.14,1225 0.107,1226 4.661,1227 0.154,1228 3.629,1229 0.066,1230 6.879,1231 0.382,1232 4.21,1233 0.106,1234 3.223,1235 4.621,1236 1.987,1237 11.471,1238 3.18,1239 2.021,1240 2.003,1241 2.102,1242 2.083,1243 1.263,1244 2.09,1245 1.916,1246 1.887,1247 2.037,1248 2.013,1249 1.137,1250 2.021,1251 1.811,1252 1.784,1253 1.925,1254 1.904,1255 1.075,1256 1.913,1257 1.406,1258 1.362,1259 1.592,1260 1.697,1261 0.708,1262 1.649,1263 1.328,1264 1.251,1265 1.517,1266 1.604,1267 0.6,1268 1.587,1269 1.191,1270 1.116,1271 1.466,1272 1.398,1273 0.355,1274 1.441,1275 1.04,1276 0.975,1277 1.249,1278 1.298,1279 0.28,1280 1.295,1281 0.929,1282 0.865,1283 1.181,1284 1.134,1285 0.225,1286 1.156,1287 4.111,1289 5.434,1290 2.398,1291 6.946,1292 4.727,1293 8.547,1294 6.823,1295 10.195,1297 2.002,1301 5.999,1303 0.326,1305 2.938,1314 31.015,1315 68.52,1316 161.349,1317 202.747,1318 236.801,1319 244.311,1320 244.311,1321 39.527,1322 7.567,1323 83.8,1324 83.8,1325 23,1326 12.515,1327 4.585,1328 3.7,1329 40.529,1330 118,1331 99,1332 0.17,1333 191.2,1334 319.87,1335 458.289,1336 21456,1338 18.803,1339 0.696,1340 0.555,1341 18.803,1342 14.991,1343 13.097,1344 0.437,1345 0.293,1346 8.713,1347 12.794,1348 8.462,1349 7.063,1350 13.097,1351 8.784,1352 11.982,1353 0.285,1354 0.158,1355 11.982,1356 6.628,1357 9.814,1358 0.178,1359 0.083,1360 9.814,1361 4.549,1362 8.653,1363 0.117,1364 0.044,1365 8.653,1366 3.254,1367 6.696,1368 0.076,1369 0.024,1370 6.696,1371 2.104,1372 0.273,1373 80.767,1374 0.222,1375 26.316,1376 0.449,1377 144,1378 371.359,1379 152.792,1380 374.627,1381 521.16,1382 350,1383 169,1384 394.186,1385 177.433,1386 405.81,1387 587.32,1388 382,1389 5.9}
{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 2,237 3,238 3,241 2,242 1,243 3,246 3,249 1,250 4,253 1,254 1,258 3,263 1,264 5,269 4,276 1685,277 20.16,278 20.16,279 20.16,280 20.16,281 20.16,282 18.047,283 31.33,284 11.426,285 20.857,286 16.102,287 16.102,288 16.102,289 16.102,290 16.102,291 12.778,292 51.659,293 5.232,294 17.111,295 4.243,296 2.143,297 1.436,298 1.061,299 0.992,300 0.923,301 4.143,305 1,306 1,307 807,308 4.301,310 83.993,312 222.969,319 2.008,320 35.624,323 1,324 0.83,325 1,326 1,327 1,328 1,329 1,330 0.98,331 68.5,332 390,333 4.687,334 3.623,335 7.079,336 4.329,337 3.356,338 4.23,339 0.86,340 11.75,341 3.281,342 4.282,343 3.299,344 6.928,345 4.197,346 3.22,347 3.922,348 0.86,349 11.24,350 3.122,351 4.274,352 3.207,353 6.168,354 3.861,355 2.915,356 3.667,357 0.6,358 9.146,359 2.754,360 4.068,361 2.86,362 5.672,363 3.604,364 2.683,365 3.299,366 0.6,367 7.946,368 2.468,369 3.605,370 2.544,371 5.32,372 3.223,373 2.283,374 2.918,375 0.4,376 6.838,377 2.139,378 3.314,379 2.202,380 5.003,381 2.828,382 1.898,383 2.582,385 5.617,386 1.758,387 3.175,388 2.181,389 4.955,390 2.682,391 1.745,392 2.245,394 5.216,395 1.629,396 2.919,397 2.094,398 4.693,399 2.521,400 1.609,401 2.057,403 4.304,404 1.461,405 2.883,406 1.755,407 4.36,408 2.355,409 1.415,410 1.931,412 4.109,413 1.322,414 2.631,415 1.437,416 4.257,417 2.112,418 1.174,419 1.664,421 3.25,422 1.096,423 2.223,424 1.222,425 3.5,426 2.097,427 1.151,428 1.203,430 2.614,431 1.084,432 1.93,433 1.084,434 3.119,435 1.613,436 0.718,437 0.845,439 1.34,440 0.636,441 1.535,442 0.935,443 3.058,444 1.221,445 0.367,446 0.401,448 0.53,449 0.311,450 1.491,451 0.835,452 2.882,453 1.083,454 0.201,455 0.253,457 0.494,458 0.176,459 1.239,460 0.281,461 2.766,462 0.914,468 14.333,469 0.462,470 1.038,471 0.033,472 39,473 1.258,474 18.5,475 0.597,476 20.5,477 0.661,478 29.289,479 0.945,480 34.867,481 0.601,482 31.198,483 1.006,484 7.637,485 0.246,486 6.997,487 0.226,488 0.256,489 0.035,490 0.349,496 0.979,497 1.487,498 0.834,499 1.232,500 1.036,501 1.039,502 0.993,503 1.031,504 0.708,505 0.865,506 0.704,507 0.754,508 0.776,509 1.416,510 1.025,511 1.277,512 0.624,513 1.203,514 0.766,515 0.931,516 0.893,517 0.918,518 0.718,519 0.921,520 0.927,521 0.919,522 0.84,523 0.83,524 0.819,525 0.819,526 1.081,527 1.358,528 1.07,529 1.237,530 1.318,531 1.161,532 1.425,533 0.89,534 1.147,535 0.869,536 1.922,537 0.937,538 1.299,539 0.907,540 1.094,541 0.837,542 1.624,543 0.908,544 8.5,545 0.239,546 4,547 2.813,548 1.938,549 1.368,550 0.872,551 0.53,552 0.419,553 0.318,554 12585,555 34626,556 1.949,557 46.6,558 9,559 11,561 1,562 3,564 3,567 1.736,568 1.763,569 3.62,570 0.908,572 1,577 93.664,578 1.615,579 3.715,580 4.422,581 4.797,582 4.866,583 4.935,584 3.071,585 4.607,586 4.927,587 3.812,588 1772.66,589 8.602,590 26046.5,592 1,594 1,595 339.763,596 1.721,597 4.839,598 0.258,599 0.009,600 0.087,601 0.06,602 0.046,603 0.031,604 0.02,605 0.014,606 0.013,607 0.011,608 0.549,609 0.33,610 1,611 1.31,612 162.936,613 -0.103,614 -0.235,615 0.03,616 -0.085,617 -0.173,618 -0.015,619 0.003,620 0.08,621 0.241,622 0.165,623 0.083,624 0.229,625 0.149,626 -0.249,627 -0.104,628 -0.248,629 0.208,630 -0.23,631 0.065,632 0.059,633 0.083,634 0.043,635 0.044,636 0.063,637 -0.003,638 0.065,639 0.141,640 0.151,641 0.028,642 0.17,643 -0.037,644 -0.265,645 -0.113,646 -0.238,647 -0.033,648 -0.2,649 -0.102,650 0.11,651 -0.109,652 0.033,653 -0.186,654 -0.031,655 -0.124,656 0.093,657 -0.081,658 0.103,659 -0.193,660 0.031,661 1.965,662 4.068,663 0.516,664 32.689,665 1.009,666 1.136,667 1.429,668 2.042,669 0.642,670 3.526,671 3.892,672 4.127,673 4.277,674 4.466,675 4.554,676 4.625,677 4.673,678 4.736,679 4.828,680 7.555,681 0.617,682 425.54,683 3.526,684 5.094,685 5.943,686 6.834,687 7.705,688 8.598,689 9.477,690 10.372,691 11.256,692 12.153,693 8.6,701 1,702 2,703 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 5,797 1,798 4,810 1,814 1,816 2,826 2,834 2,841 2,843 3,847 6,851 31,857 2,860 1,861 2,863 1,865 1,874 6.9,876 2,879 2,881 17.583,882 12.283,883 6.806,884 3.193,886 3.6,887 1.478,888 0.891,889 6.75,890 11.129,891 3.761,892 4.369,893 4.916,894 5.407,895 5.91,896 6.179,897 6.549,898 6.934,899 7.326,900 7.676,901 1,902 47,903 11.419,905 4.769,906 7.858,907 21.337,909 16.811,911 2.358,912 73.083,915 1,916 282.506,917 127.003,918 85.153,920 107.366,923 127.003,924 389.873,925 85.153,926 57.067,928 37.905,929 136.222,930 95.873,931 4.227,932 270.735,934 282.506,935 212.156,936 107.366,939 247.193,940 142.68,943 97.829,944 80.756,945 33.571,947 282.506,948 192.519,949 127.003,952 282.506,953 22.984,954 104.019,955 18.011,956 174.509,957 282.506,958 192.519,959 127.003,961 0.594,962 0.349,963 0.165,964 0.088,965 22,966 12,967 0.117,968 7,970 1,971 4.111,972 268.325,974 16,975 144.825,981 22.883,982 9.144,983 5.103,985 192.519,986 8.479,987 8.558,991 2.494,993 103.377,994 602.029,995 42,1003 8.879,1004 -0.085,1007 58.538,1008 65.896,1009 0.276,1010 0.634,1011 0.755,1012 0.819,1013 0.831,1014 0.842,1015 5.037,1016 1.609,1017 5.989,1018 5.216,1019 4.575,1020 5.056,1021 1.744,1022 6.853,1023 4.463,1024 6.285,1025 1.415,1026 7.6,1027 4.304,1028 4.443,1029 4.987,1031 8.017,1032 4.318,1033 7.631,1034 1.174,1035 9.318,1036 4.109,1037 6.293,1038 7.26,1039 1.324,1040 11.063,1041 6.108,1042 9.013,1043 1.151,1044 11.097,1045 3.25,1046 6.938,1047 7.938,1049 12.999,1050 6.744,1051 10.424,1052 0.718,1053 12.916,1054 2.614,1055 8.339,1056 9.74,1057 1.034,1058 15.644,1059 8.102,1060 11.855,1061 0.367,1062 14.763,1063 1.34,1064 9.298,1065 10.766,1067 17.876,1068 9.049,1069 13.303,1070 0.201,1071 16.631,1072 0.53,1073 10.548,1074 12.365,1075 0.818,1076 20.392,1077 10.268,1078 3.356,1080 18.515,1081 0.494,1082 11.636,1083 13.571,1085 22.743,1086 11.34,1087 3.22,1088 11.75,1089 20.411,1091 12.835,1092 15.074,1093 0.647,1094 25.215,1095 12.515,1096 2.915,1097 11.24,1098 22.318,1099 4.23,1100 13.978,1101 16.375,1103 27.617,1104 13.639,1105 2.683,1106 9.146,1107 24.232,1108 3.922,1109 15.163,1110 17.832,1111 0.509,1112 30.073,1113 14.802,1114 2.283,1115 7.946,1116 26.152,1117 3.667,1118 16.329,1119 19.187,1121 32.499,1122 15.949,1123 1.898,1124 6.838,1125 28.077,1126 3.299,1127 17.512,1128 20.622,1129 0.397,1130 34.949,1131 17.112,1132 1.745,1133 5.617,1134 30.006,1135 2.918,1136 18.69,1137 22.006,1139 37.387,1140 18.27,1141 12561,1142 21075,1143 20.69,1144 37.222,1145 50.399,1146 51.336,1147 52.591,1148 49.317,1149 49.475,1150 62.432,1151 6.64,1152 148.789,1153 46.476,1154 5.547,1155 5.623,1156 6.633,1157 5.405,1158 5.356,1159 7.23,1160 1.72,1161 19.75,1162 5.281,1163 21.285,1164 1.527,1165 1.556,1166 1.594,1167 1.494,1168 1.499,1169 1.892,1170 0.201,1171 4.509,1172 1.408,1173 4,1174 4.037,1175 3.971,1176 3.866,1177 6.539,1178 3.885,1179 3.912,1180 3.936,1181 3.873,1182 3.805,1183 6.391,1184 3.818,1185 3.789,1186 3.84,1187 3.724,1188 3.655,1189 5.062,1190 3.657,1191 3.695,1192 3.731,1193 3.604,1194 3.555,1195 4.915,1196 3.571,1197 3.284,1198 3.346,1199 3.156,1200 3.034,1201 4.683,1202 3.045,1203 3.247,1204 3.325,1205 3.051,1206 3.019,1207 4.496,1208 3.007,1209 3.23,1210 3.314,1211 3.004,1212 2.95,1213 4.392,1214 2.959,1215 2.988,1216 3.072,1217 2.858,1218 2.77,1219 4.317,1220 2.773,1221 0.142,1222 0.11,1223 0.215,1224 0.131,1225 0.102,1226 4.687,1227 0.128,1228 3.623,1229 0.026,1230 7.079,1231 0.356,1232 4.329,1233 0.099,1234 3.356,1235 4.23,1236 0.86,1237 11.75,1238 3.281,1239 1.899,1240 1.872,1241 2.045,1242 2.057,1243 1.303,1244 2.038,1245 1.871,1246 1.846,1247 1.973,1248 2.006,1249 1.067,1250 2.001,1251 1.761,1252 1.715,1253 1.86,1254 1.919,1255 0.932,1256 1.914,1257 1.638,1258 1.602,1259 1.729,1260 1.811,1261 0.755,1262 1.788,1263 1.256,1264 1.162,1265 1.613,1266 1.524,1267 0.706,1268 1.547,1269 1.214,1270 1.149,1271 1.576,1272 1.516,1273 0.575,1274 1.54,1275 1.191,1276 1.115,1277 1.565,1278 1.499,1279 0.574,1280 1.528,1281 0.946,1282 0.867,1283 1.417,1284 1.239,1285 0.469,1286 1.308,1287 4.205,1289 5.587,1291 7.168,1293 8.827,1295 10.526,1297 11.224,1302 20.1,1305 3.082,1306 10.543,1308 -0.087,1310 -0.102,1314 35.761,1315 93.664,1316 215.443,1317 256.479,1318 278.214,1319 282.214,1320 286.214,1321 71.273,1322 7.529,1323 121.45,1324 121.45,1325 16,1326 12.68,1327 4,1328 3.322,1329 58.318,1330 141,1331 137,1332 0.201,1333 223.232,1334 396.68,1335 536.445,1336 19641,1338 22.759,1339 0.734,1340 0.596,1341 22.759,1342 18.464,1343 14.634,1344 0.443,1345 0.296,1346 9.563,1347 13.886,1348 9.098,1349 7.712,1350 14.634,1351 9.756,1352 13.935,1353 0.29,1354 0.169,1355 13.935,1356 8.111,1357 11.295,1358 0.185,1359 0.082,1360 11.295,1361 4.98,1362 8.206,1363 0.116,1364 0.036,1365 8.206,1366 2.568,1367 6.467,1368 0.075,1369 0.019,1370 6.467,1371 1.667,1372 0.321,1373 93.274,1374 0.22,1375 29.323,1376 0.537,1377 162,1378 514.684,1379 182.122,1380 490.646,1381 668.71,1382 458,1383 190,1384 494.968,1385 211.482,1386 503.332,1387 733.83,1388 467,1389 5.1}
{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 4,237 2,238 1,241 2,246 8,258 9,264 1,269 1,272 6,276 1284,277 18.632,278 18.632,279 18.632,280 18.632,281 18.632,282 16.317,283 15.723,284 10.473,285 19.293,286 15.822,287 15.822,288 15.822,289 15.822,290 15.822,291 12.24,292 21.746,293 4.998,294 17.048,295 3.506,296 1.594,297 0.925,298 0.488,299 0.288,300 0.288,301 4.095,305 1,306 1,307 700,308 4.123,311 153.472,312 179.477,315 126.658,319 1.696,320 66.349,323 0.75,324 1,325 1,326 0.4,327 0.5,328 1,329 1,330 0.81,331 69.5,332 324,333 4.612,334 4.489,335 7.278,336 4.321,337 3.43,338 4.392,339 3.825,340 12.363,341 3.104,342 4.469,343 4.442,344 7.084,345 4.086,346 3.248,347 4.123,348 3.825,349 11.564,350 2.971,351 4.323,352 3.058,353 6.306,354 4.006,355 3.025,356 3.837,357 0.522,358 9.638,359 2.734,360 4.178,361 2.923,362 6.033,363 3.73,364 2.768,365 3.486,367 8.729,368 2.654,369 3.709,370 2.685,371 5.675,372 3.385,373 2.452,374 3.028,376 7.698,377 2.253,378 3.487,379 2.276,380 5.198,381 3.062,382 2.12,383 2.75,385 6.397,386 1.958,387 3.034,388 1.908,389 4.623,390 2.534,391 1.602,392 2.301,394 4.772,395 1.507,396 2.951,397 1.534,398 4.41,399 2.517,400 1.534,401 2.084,403 4.268,404 1.452,405 2.772,406 1.448,407 4.226,408 2.291,409 1.337,410 1.881,412 3.718,413 1.265,414 2.583,415 1.306,416 4.06,417 2.116,418 1.153,419 1.616,421 3.143,422 1.093,423 2.515,424 1.041,425 3.435,426 1.993,427 1.029,428 1.522,430 2.364,431 0.989,432 2.187,433 0.711,434 3.279,435 1.681,436 0.7,437 1.035,439 1.698,440 0.686,441 1.889,442 0.51,443 3.094,444 1.367,445 0.396,446 0.589,448 0.986,449 0.384,450 1.362,451 0.51,452 3.02,453 1.062,454 0.1,455 0.121,457 0.281,458 0.095,459 0.801,460 0.51,461 2.81,462 0.374,463 -0.608,464 -0.79,466 -1.691,467 -0.592,468 12.714,469 0.438,470 1.149,471 0.04,472 36.75,473 1.267,474 18,475 0.621,476 18.75,477 0.647,478 22.509,479 0.776,480 32.286,481 0.807,482 33.089,483 1.141,484 7.776,485 0.268,486 5.834,487 0.201,488 0.135,489 0.079,490 0.307,493 6,496 0.549,497 0.825,498 0.503,499 0.923,500 0.605,501 0.813,502 0.417,503 0.663,504 0.576,505 0.843,506 0.347,507 0.861,508 0.61,509 0.946,510 0.83,511 1.258,512 0.524,513 1.289,514 1.05,515 1.093,516 1.128,517 1.128,518 0.984,519 1.158,520 1.261,521 1.084,522 1.167,523 0.875,524 1.285,525 0.866,526 0.67,527 0.768,528 0.824,529 0.9,530 0.634,531 0.962,532 1.017,533 0.649,534 1.188,535 0.622,536 1.112,537 0.836,538 0.61,539 0.844,540 0.704,541 1.094,542 0.634,543 1.086,544 9,545 0.235,546 4.222,547 2.292,548 1.809,549 1.642,550 0.592,551 0.509,552 0.288,553 0.302,554 10910,555 48328,556 2.033,557 27.5,559 8,560 1,561 1,562 1,567 1.718,568 1.851,569 3.421,570 -0.2,577 72.645,578 1.816,579 3.728,580 4.396,581 4.834,582 5.034,583 5.034,584 2.867,585 4.392,586 4.832,587 3.643,588 1479.15,589 8.407,590 20026.2,592 1,595 212.877,596 1.768,597 4.749,598 0.281,599 0.01,600 0.086,601 0.051,602 0.042,603 0.041,604 0.014,605 0.018,606 0.011,607 0.011,608 0.567,609 0.5,610 0.88,611 0.904,612 147.418,613 0.002,614 0.031,615 0.014,616 0.031,617 -0.083,618 0.029,619 0.412,620 0.331,621 0.127,622 0.134,623 0.476,624 -0.009,625 -0.012,626 -0.172,627 -0.07,628 -0.291,629 0.038,630 -0.277,631 -0.192,632 -0.247,633 -0.097,634 -0.169,635 -0.142,636 -0.092,637 -0.244,638 -0.156,639 -0.053,640 0.07,641 -0.269,642 0.163,643 0.589,644 0.406,645 0.192,646 0.054,647 0.651,648 -0.13,649 -0.049,650 0.238,651 -0.088,652 0.289,653 -0.162,654 0.175,655 0.115,656 0.02,657 0.113,658 -0.094,659 0.072,660 -0.071,661 6.188,662 5.286,663 0.69,664 27.201,665 1.072,666 1.176,667 4.367,668 19.066,669 0.681,670 3.497,671 3.912,672 4.127,673 4.382,674 4.575,675 4.745,676 4.812,677 4.934,678 4.927,679 5.043,680 6.807,681 0.714,682 411.34,683 3.497,684 5.094,685 5.948,686 6.862,687 7.736,688 8.646,689 9.527,690 10.436,691 11.319,692 12.227,693 12.5,701 2,703 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 5,797 0.75,807 1,815 2,816 2,819 1,843 3,849 6,851 29,858 1,865 2,871 1,873 6,881 15.667,882 7.324,883 5.917,884 2.183,886 4.127,887 1.529,888 1.038,889 4.534,890 11.923,891 3.773,892 4.454,893 5.056,894 5.668,895 6.148,896 6.546,897 6.977,898 7.39,899 7.637,900 8.036,901 1,902 45,903 12.27,905 6.864,906 8.713,907 18.877,909 15.722,911 3.213,912 93.167,915 1,916 117.711,917 112.793,918 68.306,921 89.761,923 112.793,924 117.711,925 158.067,927 2.106,928 65.905,929 61.638,930 135.32,931 13.915,932 94.169,933 15.519,934 117.711,935 181.099,936 89.761,939 117.711,940 89.761,943 47.868,944 83.364,945 49.867,947 207.472,948 68.306,949 112.793,952 133.23,953 22.322,954 76.729,955 16.663,956 139.627,957 117.711,958 158.067,959 112.793,961 0.613,962 0.334,963 0.167,964 0.088,965 26,966 12,967 0.07,968 3,969 1,970 1.1,971 3.956,972 261.546,973 0.1,974 20,975 131.372,981 19.322,982 6.805,983 3.931,984 1.625,985 139.627,986 9.884,987 11.648,988 2.794,991 -1.972,992 1.146,993 16.663,994 388.571,995 42.5,1007 42.887,1008 47.021,1009 0.341,1010 0.7,1011 0.826,1012 0.908,1013 0.946,1014 0.946,1015 5.058,1016 1.534,1017 6.028,1018 4.772,1019 4.595,1020 5.142,1021 3.719,1022 6.929,1023 4.46,1024 6.333,1025 1.337,1026 7.66,1027 4.268,1028 4.575,1029 5.139,1030 4.586,1031 8.247,1032 4.226,1033 7.691,1034 1.153,1035 9.404,1036 3.718,1037 6.368,1038 7.424,1039 6.112,1040 11.228,1041 6.074,1042 9.084,1043 1.029,1044 11.214,1045 3.143,1046 7.091,1047 8.182,1048 7.382,1049 13.286,1050 6.589,1051 10.503,1052 0.7,1053 13.066,1054 2.364,1055 8.468,1056 9.987,1057 8.751,1058 15.901,1059 7.975,1060 11.942,1061 0.396,1062 14.945,1063 1.698,1064 9.473,1065 11.093,1066 10.082,1067 18.221,1068 8.809,1069 13.395,1070 0.1,1071 16.844,1072 0.986,1073 10.72,1074 12.697,1075 11.427,1076 20.737,1077 10.017,1078 3.43,1079 -0.608,1080 18.756,1081 0.281,1082 11.837,1083 13.975,1084 12.767,1085 23.157,1086 10.994,1087 3.248,1088 12.363,1089 20.68,1090 -1.691,1091 13.044,1092 15.491,1093 14.11,1094 25.648,1095 12.133,1096 3.025,1097 11.564,1098 22.613,1099 4.392,1100 14.207,1101 16.854,1102 15.451,1103 28.109,1104 13.176,1105 2.768,1106 9.638,1107 24.552,1108 4.123,1109 15.405,1110 18.331,1111 16.793,1112 30.597,1113 14.289,1114 2.452,1115 8.729,1116 26.498,1117 3.837,1118 16.589,1119 19.739,1120 18.134,1121 33.076,1122 15.363,1123 2.12,1124 7.698,1125 28.447,1126 3.486,1127 17.788,1128 21.201,1129 19.476,1130 35.566,1131 16.469,1132 1.602,1133 6.397,1134 30.401,1135 3.028,1136 18.984,1137 22.632,1138 20.818,1139 38.054,1140 17.559,1141 10410,1142 22152,1143 20.572,1144 27.222,1145 50.953,1146 48.446,1147 49.775,1148 50.314,1149 49.787,1150 65.532,1151 16.344,1152 155.239,1153 46.288,1154 5.412,1155 6.489,1156 6.787,1157 5.347,1158 5.43,1159 7.392,1160 5.335,1161 19.924,1162 5.104,1163 17.091,1164 1.592,1165 1.514,1166 1.555,1167 1.572,1168 1.556,1169 2.048,1170 0.511,1171 4.851,1172 1.447,1173 4.123,1174 4.166,1175 4.088,1176 4.016,1177 8.518,1178 4.027,1179 3.996,1180 4.031,1181 3.967,1182 3.906,1183 8.509,1184 3.912,1185 3.805,1186 3.87,1187 3.781,1188 3.573,1189 7.999,1190 3.615,1191 3.441,1192 3.481,1193 3.48,1194 3.188,1195 7.999,1196 3.225,1197 3.32,1198 3.385,1199 3.272,1200 3.067,1201 7.999,1202 3.111,1203 3.191,1204 3.248,1205 3.163,1206 2.941,1207 7.999,1208 2.969,1209 2.954,1210 3.019,1211 2.838,1212 2.791,1213 5.143,1214 2.8,1215 2.834,1216 2.919,1217 2.714,1218 2.557,1219 5.034,1220 2.586,1221 0.144,1222 0.14,1223 0.227,1224 0.135,1225 0.107,1226 4.612,1227 0.137,1228 4.489,1229 0.12,1230 7.278,1231 0.386,1232 4.321,1233 0.097,1234 3.43,1235 4.392,1236 3.825,1237 12.363,1238 3.104,1239 1.957,1240 1.935,1241 2.036,1242 2.052,1243 1.222,1244 2.044,1245 1.937,1246 1.916,1247 2.015,1248 2.019,1249 1.17,1250 2.019,1251 1.477,1252 1.42,1253 1.617,1254 1.734,1255 0.791,1256 1.694,1257 1.313,1258 1.232,1259 1.465,1260 1.645,1261 0.499,1262 1.595,1263 1.249,1264 1.21,1265 1.354,1266 1.517,1267 0.406,1268 1.415,1269 1.123,1270 1.081,1271 1.206,1272 1.426,1273 0.268,1274 1.374,1275 0.963,1276 0.905,1277 1.112,1278 1.302,1279 0.158,1280 1.223,1281 0.82,1282 0.736,1283 1.039,1284 1.068,1285 0.044,1286 1.083,1287 4.174,1289 5.565,1290 3.045,1291 7.119,1292 5.283,1293 8.747,1294 7.273,1295 10.417,1299 78.232,1303 -0.381,1310 -9.809,1314 28.568,1315 72.645,1316 149.103,1317 175.858,1318 193.367,1319 201.367,1320 201.367,1321 74.38,1322 7.796,1323 59.39,1324 59.39,1325 22,1326 12.748,1327 4.459,1328 3.524,1329 44.81,1330 120,1331 104,1332 0.184,1333 168.673,1334 294.58,1335 403.322,1336 26948,1337 15,1338 20.811,1339 0.718,1340 0.496,1341 15.811,1342 14.383,1343 13.609,1344 0.425,1345 0.257,1346 7.984,1347 12.651,1348 7.954,1349 6.471,1350 11.187,1351 8.221,1352 14.308,1353 0.292,1354 0.129,1355 10.355,1356 6.341,1357 10.545,1358 0.173,1359 0.071,1360 8.824,1361 4.35,1362 8.714,1363 0.11,1364 0.037,1365 7.429,1366 2.939,1367 6.659,1368 0.069,1369 0.02,1370 5.553,1371 1.908,1372 0.29,1373 88.631,1374 0.22,1375 27.511,1376 0.501,1377 162,1378 875.58,1379 204.721,1380 685.096,1381 876.91,1382 630,1383 191,1384 611.558,1385 222.416,1386 578.672,1387 880.52,1388 540,1389 5.1}
{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 2,238 3,243 2,246 3,249 1,250 3,258 5,264 3,272 5,276 862,277 16.212,278 16.212,279 16.212,280 16.212,281 16.212,282 14.06,283 18.603,284 9.425,285 16.677,286 13.356,287 13.356,288 13.356,289 13.356,290 13.356,291 10.102,292 25.872,293 4.504,294 14.194,295 3.43,296 1.557,297 0.873,298 0.303,299 0.25,300 0.25,301 3.944,304 1,305 1,306 1,307 517,308 3.742,312 214.494,316 111.547,319 1.488,320 41.624,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 57.5,332 244,333 4.524,334 4.46,335 7.116,336 4.168,337 3.32,338 4.463,339 3.825,340 11.69,341 3.011,342 4.453,343 3.57,344 6.531,345 4.05,346 3.069,347 3.869,348 1.656,349 10.313,350 2.835,351 3.89,352 3.068,353 5.533,354 3.538,355 2.597,356 3.184,357 0.247,358 7.525,359 2.431,360 3.67,361 2.586,362 5.269,363 3.272,364 2.302,365 3.07,367 6.587,368 2.227,369 3.509,370 2.426,371 4.96,372 3.08,373 2.108,374 2.859,376 5.816,377 2.027,378 3.304,379 2.068,380 4.775,381 2.829,382 1.855,383 2.553,385 5.238,386 1.795,387 2.904,388 1.843,389 4.434,390 2.43,391 1.488,392 2.097,394 4.233,395 1.384,396 2.873,397 1.433,398 4.068,399 2.385,400 1.412,401 1.991,403 3.452,404 1.364,405 2.57,406 1.189,407 3.49,408 2.062,409 1.112,410 1.6,412 2.54,413 1.043,414 2.382,415 1.057,416 3.404,417 1.9,418 0.924,419 1.323,421 2.214,422 0.899,423 1.445,424 0.6,425 2.941,426 1.083,427 0.131,428 0.162,430 0.334,431 0.124,432 1.182,433 0.51,434 2.724,435 0.796,436 -0.178,437 -0.226,439 -0.45,440 -0.171,441 1.005,442 0.51,443 2.472,444 0.568,445 -0.424,446 -0.572,448 -0.998,449 -0.416,450 0.797,451 0.318,452 2.364,453 0.323,454 -0.674,455 -0.951,457 -1.891,458 -0.664,459 0.669,460 -0.048,461 2.277,462 0.212,463 -0.743,464 -1,466 -1.966,467 -0.7,468 11.29,469 0.452,470 0.846,471 0.034,472 35,473 1.4,474 18.5,475 0.74,476 16.5,477 0.66,478 16.614,479 0.665,480 27.11,481 0.713,482 27.773,483 1.111,484 7.224,485 0.289,486 4.601,487 0.184,488 0.15,489 0.044,490 0.31,493 3,496 0.609,497 0.992,498 0.602,499 0.985,500 0.599,501 0.848,502 0.362,503 0.762,504 0.6,505 0.95,506 0.369,507 0.926,508 0.642,509 0.806,510 0.885,511 1.009,512 0.591,513 1.047,514 0.818,515 0.965,516 0.913,517 1.083,518 0.781,519 1.058,520 0.942,521 0.899,522 0.985,523 1.053,524 0.976,525 1.046,526 1.257,527 0.853,528 1.258,529 0.877,530 1.271,531 0.983,532 0.468,533 0.609,534 0.745,535 0.819,536 0.517,537 0.898,538 1.041,539 0.747,540 1.124,541 0.747,542 1.052,543 0.896,544 7,545 0.178,546 2.889,547 1.875,548 1.547,549 0.819,550 0.609,551 0.203,552 0.23,553 0.217,554 7007,555 26816,556 2.005,557 34.2,558 3,559 7,561 1,562 2,567 1.679,568 1.84,569 3.289,570 0.352,572 1,577 69.074,578 1.818,579 3.691,580 4.375,581 4.945,582 4.998,583 4.998,584 2.661,585 3.894,586 4.622,587 3.471,588 1041.29,589 7.981,590 12817.5,592 1,593 1,594 1,595 199.421,596 1.673,597 4.546,598 0.259,599 0.009,600 0.074,601 0.049,602 0.045,603 0.026,604 0.024,605 0.008,606 0.011,607 0.01,608 0.517,609 0.5,610 1,611 0.836,612 121.005,613 -0.065,614 -0.093,615 0.005,616 -0.014,617 -0.106,618 0.023,619 0.474,620 0.262,621 0.176,622 0.024,623 0.435,624 -0.039,625 0.016,626 -0.004,627 -0.075,628 -0.093,629 0.022,630 -0.122,631 -0.032,632 -0.134,633 0.034,634 -0.132,635 -0.018,636 -0.056,637 -0.034,638 -0.053,639 -0.01,640 -0.123,641 -0.054,642 -0.081,643 -0.252,644 0.004,645 -0.236,646 0.036,647 -0.233,648 -0.034,649 0.428,650 0.169,651 0.264,652 0.121,653 0.421,654 0.104,655 -0.198,656 0.096,657 -0.172,658 0.218,659 -0.198,660 0.104,661 5.826,662 5.108,663 0.64,664 19.139,665 1.041,666 1.15,667 2.988,668 8.931,669 0.68,670 3.332,671 3.689,672 3.871,673 4.111,674 4.344,675 4.304,676 4.382,677 4.331,678 4.443,679 4.357,680 6.173,681 0.687,682 346.34,683 3.332,684 4.89,685 5.72,686 6.608,687 7.459,688 8.344,689 9.202,690 10.084,691 10.947,692 11.826,693 10.5,700 2,703 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 4,797 0.667,798 1,809 2,816 3,820 1,843 2,847 1,849 3,851 25,860 2,865 1,873 3,874 2.6,877 1,881 13.583,882 7.162,883 5.306,884 2.081,886 3.342,887 1.471,888 1.003,889 4.495,890 10.432,891 3.624,892 4.263,893 4.814,894 5.42,895 5.998,896 6.181,897 6.507,898 6.758,899 7.097,900 6.95,901 1,902 38,903 9.711,905 4.655,906 8.417,907 16.539,909 13.226,911 2.917,912 72.917,916 129.482,917 111.986,918 69.593,920 25.145,921 44.88,923 111.986,924 154.627,925 114.473,926 8.825,927 36.022,928 66.334,929 70.487,930 67.344,931 6.604,932 117.711,933 7.76,934 129.482,935 181.578,936 70.025,939 129.482,940 70.025,943 66.555,944 81.453,945 33.571,947 174.362,948 94.737,949 111.986,952 137.242,953 20.02,954 84.206,955 36.022,956 103.596,957 129.482,958 139.618,959 111.986,961 0.595,962 0.325,963 0.17,964 0.099,965 19,966 9,967 0.05,968 2,969 1,970 1.125,971 3.631,972 202.506,973 0.125,974 16,975 111.342,981 17.032,982 6.598,983 3.998,984 1.426,985 139.618,986 12.021,987 7.597,991 0.221,993 36.022,994 381.086,995 36.5,1000 12.108,1004 -0.694,1007 39.574,1008 43.713,1009 0.346,1010 0.703,1011 0.834,1012 0.942,1013 0.952,1014 0.952,1015 4.869,1016 1.412,1017 5.759,1018 4.233,1019 4.369,1020 4.949,1021 3.244,1022 6.597,1023 4.254,1024 6.117,1025 1.112,1026 7.345,1027 3.452,1028 4.205,1029 4.879,1030 3.949,1031 7.758,1032 3.927,1033 7.449,1034 0.924,1035 9.043,1036 2.54,1037 6.047,1038 7.196,1039 5.464,1040 10.748,1041 5.785,1042 8.814,1043 0.131,1044 10.807,1045 2.214,1046 6.635,1047 7.873,1048 6.701,1049 12.704,1050 6.19,1051 10.207,1052 -0.178,1053 12.617,1054 0.334,1055 8.044,1056 9.736,1057 8.065,1058 15.304,1059 7.593,1060 11.62,1061 -0.424,1062 14.458,1063 -0.45,1064 8.962,1065 10.795,1066 9.391,1067 17.561,1068 8.344,1069 13.05,1070 -0.674,1071 16.323,1072 -0.998,1073 10.214,1074 12.452,1075 10.736,1076 20.044,1077 9.555,1078 3.32,1079 -0.743,1080 18.206,1081 -1.891,1082 11.278,1083 13.717,1084 12.075,1085 22.412,1086 10.477,1087 3.069,1088 11.69,1089 20.102,1090 -1.966,1091 12.475,1092 15.277,1093 13.417,1094 24.861,1095 11.608,1096 2.597,1097 10.313,1098 22.01,1099 4.463,1100 13.603,1101 16.651,1102 14.758,1103 27.273,1104 12.612,1105 2.302,1106 7.525,1107 23.926,1108 3.869,1109 14.784,1110 18.166,1111 16.1,1112 29.714,1113 13.711,1114 2.108,1115 6.587,1116 25.85,1117 3.184,1118 15.94,1119 19.596,1120 17.441,1121 32.144,1122 14.756,1123 1.855,1124 5.816,1125 27.778,1126 3.07,1127 17.118,1128 21.093,1129 18.783,1130 34.585,1131 15.843,1132 1.488,1133 5.238,1134 29.712,1135 2.859,1136 18.288,1137 22.551,1138 20.124,1139 37.024,1140 16.908,1141 6873,1142 13675,1143 17.394,1144 25.858,1145 41.304,1146 41.118,1147 41.484,1148 40.816,1149 40.635,1150 54.339,1151 11.457,1152 119.887,1153 38.28,1154 5.397,1155 6.46,1156 6.662,1157 5.229,1158 5.32,1159 7.463,1160 5.335,1161 18.669,1162 5.011,1163 14.225,1164 1.53,1165 1.523,1166 1.536,1167 1.512,1168 1.505,1169 2.013,1170 0.424,1171 4.44,1172 1.418,1173 4.081,1174 4.11,1175 4.044,1176 4.009,1177 8.513,1178 4.013,1179 3.909,1180 3.949,1181 3.88,1182 3.773,1183 7.999,1184 3.79,1185 3.572,1186 3.62,1187 3.51,1188 3.438,1189 7.999,1190 3.44,1191 3.422,1192 3.473,1193 3.381,1194 3.14,1195 7.431,1196 3.196,1197 3.271,1198 3.32,1199 3.244,1200 2.987,1201 4.992,1202 3.029,1203 3.07,1204 3.143,1205 2.934,1206 2.903,1207 4.839,1208 2.909,1209 2.905,1210 2.984,1211 2.749,1212 2.746,1213 4.408,1214 2.739,1215 2.74,1216 2.808,1217 2.633,1218 2.527,1219 4.116,1220 2.549,1221 0.168,1222 0.165,1223 0.264,1224 0.154,1225 0.123,1226 4.524,1227 0.165,1228 4.46,1229 0.142,1230 7.116,1231 0.433,1232 4.168,1233 0.112,1234 3.32,1235 4.463,1236 3.825,1237 11.69,1238 3.011,1239 2.043,1240 2.019,1241 2.119,1242 2.132,1243 1.248,1244 2.129,1245 1.838,1246 1.802,1247 1.929,1248 1.996,1249 0.968,1250 1.973,1251 1.541,1252 1.495,1253 1.725,1254 1.715,1255 0.793,1256 1.714,1257 1.268,1258 1.22,1259 1.445,1260 1.575,1261 0.489,1262 1.53,1263 1.108,1264 1.051,1265 1.354,1266 1.409,1267 0.325,1268 1.347,1269 1.041,1270 0.989,1271 1.167,1272 1.287,1273 0.214,1274 1.302,1275 0.889,1276 0.825,1277 1.114,1278 1.106,1279 0.113,1280 1.115,1281 0.679,1282 0.613,1283 0.925,1284 0.943,1286 0.953,1287 4.007,1289 5.352,1291 6.88,1293 8.494,1295 10.151,1297 1.906,1299 38,1305 4.908,1310 -4.576,1314 26.111,1315 69.074,1316 140.26,1317 166.26,1318 187.911,1319 189.911,1320 189.911,1321 51.991,1322 7.089,1323 66.91,1324 66.91,1325 18,1326 12.366,1327 4.248,1328 3.392,1329 41.858,1330 94,1331 70,1332 0.219,1333 160.081,1334 280.12,1335 382.359,1336 11407,1337 7.9,1338 18.027,1339 0.721,1340 0.522,1341 15.527,1342 13.055,1343 11.826,1344 0.438,1345 0.271,1346 7.15,1347 11.205,1348 7.025,1349 5.815,1350 10.614,1351 7.304,1352 11.705,1353 0.3,1354 0.138,1355 9.748,1356 5.364,1357 8.514,1358 0.181,1359 0.073,1360 7.551,1361 3.426,1362 7.046,1363 0.117,1364 0.038,1365 6.528,1366 2.301,1367 5.918,1368 0.078,1369 0.021,1370 5.278,1371 1.562,1372 0.345,1373 75.459,1374 0.24,1375 24.256,1376 0.597,1377 132,1378 604.025,1379 159.335,1380 504.969,1381 656.34,1382 466,1383 152,1384 460.425,1385 172.421,1386 447.357,1387 670.28,1388 419,1389 6.8}
{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 1,237 2,238 3,241 2,243 1,246 2,250 3,258 2,264 5,272 1,276 443,277 12.637,278 12.637,279 12.637,280 12.637,281 12.637,282 10.834,283 16.902,284 7.714,285 13.042,286 9.884,287 9.884,288 9.884,289 9.884,290 9.884,291 7.217,292 24.954,293 3.706,294 10.566,295 2.898,296 1.142,297 0.771,298 0.509,299 0.414,300 0.414,301 3.664,305 1,306 1,307 371,308 3.24,311 59.23,312 71.273,319 1.557,320 24.653,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 43,332 179,333 4.31,334 3.783,335 6.005,336 3.746,337 2.867,338 4.018,339 2.612,340 8.6,341 2.544,342 3.915,343 3.549,344 5.413,345 3.544,346 2.561,347 3.448,348 1.659,349 7.098,350 2.498,351 3.787,352 2.727,353 5.31,354 3.342,355 2.385,356 3.186,357 0.564,358 6.8,359 2.272,360 3.457,361 2.591,362 4.753,363 2.9,364 1.971,365 2.697,366 0.133,367 5.256,368 1.795,369 2.915,370 1.711,371 3.684,372 2.48,373 1.484,374 2.08,376 3.133,377 1.476,378 2.698,379 1.645,380 3.6,381 2.052,382 1.107,383 1.691,385 2.653,386 1.035,387 2.5,388 1.064,389 3.253,390 2,391 1,392 1.5,394 2.136,395 1,396 2.176,397 1,398 3.247,399 1.525,400 0.662,401 1.001,403 1.611,404 0.552,405 1.784,406 1,407 3.026,408 1.474,409 0.551,410 0.645,412 1.268,413 0.509,414 1,415 0.748,416 2.454,417 0.586,418 -0.348,419 -0.422,421 -0.939,422 -0.319,423 0.997,424 0.374,425 1.825,426 0.396,427 -0.626,428 -0.843,430 -1.375,431 -0.631,432 0.784,433 -0.16,434 1.746,436 -1,437 -1.5,439 -2,440 -1,441 0.5,442 -0.734,443 1.555,445 -1,446 -1.581,448 -2.347,449 -1,450 0.198,451 -0.933,452 1.345,453 -0.209,454 -1.205,455 -1.677,457 -2.958,458 -1.104,459 0.097,460 -1,461 1.097,462 -0.358,463 -1.259,464 -1.877,466 -3.557,467 -1.231,468 8.933,469 0.47,470 0.438,471 0.023,472 27.5,473 1.447,474 15,475 0.789,476 12.5,477 0.658,478 10.616,479 0.559,480 20.467,481 0.706,482 17.661,483 0.93,484 5.592,485 0.294,486 3.556,487 0.187,488 0.112,490 0.269,496 0.529,497 1.154,498 0.67,499 0.805,500 0.518,501 0.801,502 0.407,503 1.103,504 0.79,505 1.085,506 0.425,507 1.031,508 0.807,509 1.261,510 1.076,511 1.343,512 0.772,513 1.21,514 0.889,515 0.876,516 0.767,517 0.893,518 0.994,519 0.997,520 0.693,521 1.058,522 0.733,523 0.891,524 0.61,525 0.868,526 1.39,527 0.827,528 1.285,529 0.963,530 1.408,531 0.974,532 0.735,533 0.858,534 0.823,535 0.765,536 0.726,537 0.911,538 1.15,539 0.822,540 1.48,541 1.037,542 1.01,543 0.908,544 4,545 0.058,546 1.556,547 0.91,548 0.801,549 0.361,550 0.301,551 0.134,552 0.067,553 0.101,554 3519,555 13912,556 1.995,557 34.5,559 7,561 1,562 2,567 1.595,568 1.869,569 3.241,570 0.548,572 1,573 1,574 1,577 56.854,578 1.96,579 3.716,580 4.087,581 4.349,582 4.444,583 4.444,584 2.721,585 3.827,586 4.221,587 3.394,588 580.443,589 7.151,590 6000.06,591 1,592 1,594 1,595 140.881,596 1.384,597 4.178,598 0.2,599 0.007,600 0.06,601 0.041,602 0.042,603 0.021,604 0.02,605 0.009,606 0.006,607 0.01,608 0.416,609 0.5,610 1,611 0.868,612 84.789,613 0.095,614 0.01,615 0.038,616 0.115,617 -0.025,618 0.038,619 0.315,620 0.004,621 0.094,622 -0.082,623 0.21,624 -0.127,625 -0.021,626 -0.28,627 -0.026,628 -0.294,629 -0.044,630 -0.19,631 0.113,632 0.021,633 0.136,634 -0.045,635 -0.012,636 -0.013,637 0.14,638 -0.153,639 0.22,640 0.001,641 0.131,642 0.176,643 -0.277,644 0.13,645 -0.253,646 0.016,647 -0.258,648 -0.027,649 0.393,650 0.081,651 0.109,652 0.165,653 0.469,654 0.023,655 -0.297,656 0.206,657 -0.21,658 0.179,659 -0.189,660 0.143,661 2.551,662 4.539,663 0.579,664 14.576,665 1.038,666 1.131,667 1.601,668 2.563,669 0.701,670 3.045,671 3.296,672 3.434,673 3.584,674 3.638,675 3.526,676 3.466,677 3.367,678 3.332,679 3.367,680 5.721,681 0.69,682 278.32,683 3.045,684 4.533,685 5.323,686 6.151,687 6.959,688 7.789,689 8.605,690 9.434,691 10.254,692 11.084,693 13.8,700 2,703 1,704 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 4,797 1,798 3,815 1,816 1,843 2,845 1,851 19,858 1,860 2,868 1,874 10.3,877 1,880 2,881 10.167,882 5.067,883 4.278,884 1.49,886 2.03,887 1.338,888 0.954,889 4.547,890 8.034,891 3.384,892 3.927,893 4.339,894 4.806,895 5.094,896 5.079,897 5.041,898 5.026,899 5.076,900 5.29,901 1,902 22,903 6.956,905 2.9,906 8.289,907 12.579,909 9.636,911 2.789,912 53,916 94.169,917 98.704,918 58.477,920 75.892,922 31.278,923 67.426,924 170.061,925 58.477,926 5.67,927 38.127,928 47.381,929 53.702,930 13.663,931 4.276,932 113.675,933 50.747,934 94.169,935 125.903,936 75.892,937 31.278,939 94.169,940 25.145,941 50.747,943 48.605,944 54.843,945 22.456,946 31.278,947 94.169,948 134.369,949 98.704,952 94.169,953 42.275,954 62.099,955 36.022,956 92.677,957 94.169,958 134.369,959 98.704,961 0.569,962 0.309,963 0.154,964 0.08,965 11,966 5,967 0.133,968 4,970 1,971 3.259,972 124,974 11,975 74.711,977 1,981 13.584,982 6.36,983 4.084,985 128.699,986 10.511,987 3.737,990 0.809,991 1.04,993 36.022,994 327.242,995 28.5,997 -0.551,1000 32.456,1004 -0.451,1007 30.116,1008 32.787,1009 0.404,1010 0.765,1011 0.841,1012 0.895,1013 0.915,1014 0.915,1015 4.562,1016 0.662,1017 5.273,1018 2.136,1019 3.97,1020 4.61,1021 2.865,1022 5.964,1023 3.841,1024 5.75,1025 0.551,1026 6.76,1027 1.611,1028 3.434,1029 4.35,1030 2.558,1031 6.613,1032 3.235,1033 7.03,1034 -0.348,1035 8.342,1036 1.268,1037 5.451,1038 6.728,1039 4.307,1040 9.613,1041 5.176,1042 8.343,1043 -0.626,1044 9.976,1045 -0.939,1046 5.707,1047 7.279,1048 4.603,1049 11.068,1050 5.325,1051 9.684,1052 -1,1053 11.645,1054 -1.375,1055 7.185,1056 9.111,1057 6.011,1058 13.541,1059 6.751,1060 11.043,1061 -1,1062 13.337,1063 -2,1064 7.81,1065 10.041,1066 6.597,1067 15.343,1068 7.248,1069 12.418,1070 -1.205,1071 15.044,1072 -2.347,1073 9.05,1074 11.64,1075 7.82,1076 17.614,1077 8.442,1078 2.867,1079 -1.259,1080 16.764,1081 -2.958,1082 9.866,1083 12.768,1084 8.565,1085 19.584,1086 9.119,1087 2.561,1088 8.6,1089 18.493,1090 -3.557,1091 10.994,1092 14.258,1093 9.68,1094 21.775,1095 10.193,1096 2.385,1097 7.098,1098 20.229,1099 4.018,1100 11.91,1101 15.495,1102 10.516,1103 23.829,1104 10.971,1105 1.971,1106 6.8,1107 21.971,1108 3.448,1109 12.986,1110 16.93,1111 11.567,1112 25.988,1113 11.979,1114 1.484,1115 5.256,1116 23.718,1117 3.186,1118 13.958,1119 18.229,1120 12.455,1121 28.086,1122 12.814,1123 1.107,1124 3.133,1125 25.47,1126 2.697,1127 15.01,1128 19.637,1129 13.469,1130 30.233,1131 13.786,1132 1,1133 2.653,1134 27.226,1135 2.08,1136 16.013,1137 20.973,1138 14.387,1139 32.355,1140 14.655,1141 3543,1142 7240,1143 13.118,1144 20.318,1145 29.436,1146 30.554,1147 29.784,1148 29.116,1149 29.175,1150 40.528,1151 9.936,1152 77.109,1153 27.365,1154 5.206,1155 5.783,1156 5.807,1157 4.871,1158 4.867,1159 7.018,1160 4.612,1161 14.506,1162 4.544,1163 9.22,1164 1.472,1165 1.528,1166 1.489,1167 1.456,1168 1.459,1169 2.026,1170 0.497,1171 3.855,1172 1.368,1173 3.954,1174 3.981,1175 4.268,1176 3.862,1177 7.815,1178 3.849,1179 3.899,1180 3.926,1181 3.839,1182 3.821,1183 7.431,1184 3.771,1185 3.551,1186 3.599,1187 3.529,1188 3.227,1189 6.999,1190 3.276,1191 3.321,1192 3.363,1193 3.369,1194 2.93,1195 4.816,1196 3.001,1197 3.026,1198 3.074,1199 2.921,1200 2.735,1201 4.752,1202 2.807,1203 2.854,1204 2.925,1205 2.687,1206 2.733,1207 4.081,1208 2.715,1209 2.561,1210 2.663,1211 2.596,1212 2.33,1213 3.697,1214 2.32,1215 2.346,1216 2.407,1217 2.358,1218 2.196,1219 3.674,1220 2.126,1221 0.215,1222 0.189,1223 0.3,1224 0.187,1225 0.143,1226 4.31,1227 0.201,1228 3.783,1229 0.131,1230 6.005,1231 0.43,1232 3.746,1233 0.127,1234 2.867,1235 4.018,1236 2.612,1237 8.6,1238 2.544,1239 1.91,1240 1.879,1241 2.04,1242 2.004,1243 1.15,1244 2.017,1245 1.532,1246 1.526,1247 1.602,1248 1.913,1249 0.695,1250 1.797,1251 1.453,1252 1.396,1253 1.529,1254 1.749,1255 0.604,1256 1.709,1257 1.21,1258 1.152,1259 1.314,1260 1.441,1261 0.373,1262 1.438,1263 0.886,1264 0.836,1265 1.181,1266 1.201,1267 0.218,1268 1.165,1269 0.873,1270 0.821,1271 1.005,1272 1.062,1273 0.032,1274 1.107,1275 0.678,1276 0.676,1277 0.892,1278 0.918,1280 0.941,1281 0.46,1282 0.38,1283 0.654,1284 0.721,1286 0.759,1287 3.714,1289 4.977,1290 2.398,1291 6.405,1292 4.595,1293 7.903,1294 6.581,1295 9.436,1303 0.375,1305 5.073,1314 19.998,1315 56.854,1316 107.762,1317 118.517,1318 126.127,1319 128.881,1320 128.881,1321 35.617,1322 6.004,1323 99.84,1324 128.08,1325 11,1326 11.659,1327 3.907,1328 3.248,1329 33.955,1330 65,1331 54,1332 0.254,1333 131.304,1334 222.74,1335 312.143,1336 2761,1338 13.665,1339 0.719,1340 0.553,1341 14.018,1342 10.515,1343 9.148,1344 0.457,1345 0.308,1346 5.3,1347 8.214,1348 5.159,1349 4.301,1350 9.556,1351 6.156,1352 8.105,1353 0.312,1354 0.176,1355 8.774,1356 4.563,1357 6.053,1358 0.202,1359 0.102,1360 6.894,1361 3.054,1362 4.616,1363 0.132,1364 0.056,1365 5.392,1366 1.954,1367 3.33,1368 0.09,1369 0.029,1370 3.859,1371 1.074,1372 0.407,1373 62.762,1374 0.276,1375 19.568,1376 0.668,1377 92,1378 378.023,1379 133.4,1380 379.675,1381 492.87,1382 348,1383 102,1384 335.153,1385 137.938,1386 347.097,1387 496.32,1388 323,1389 5.1}
{0 CHEMBL1964687,1 1.596,2 11.867,3 4.42,4 19.532,5 122.763,6 8.148,7 0.647,8 4.048,9 4.166,10 3.738,11 3.684,12 5.176,13 3.643,14 4.554,15 4.709,16 4.166,17 4.112,18 5.669,19 4.044,20 4.772,21 4.935,22 4.208,23 4.259,24 5.824,25 4.165,26 4.884,27 5.091,28 4.211,29 4.242,30 5.916,31 4.134,32 4.834,33 5.035,34 4.011,35 4.116,36 5.916,37 4.015,38 4.801,39 5.058,40 3.871,41 3.964,42 5.84,43 3.862,44 4.623,45 4.857,46 3.623,47 3.777,48 5.723,49 3.687,50 4.435,51 4.683,52 3.555,53 3.712,54 5.391,55 3.59,56 0.038,57 0.782,58 9.587,59 4.423,60 8.86,61 5.413,62 0.244,63 1.276,64 18.735,65 8.077,66 23.622,67 10.321,68 0.14,69 1.549,70 24.79,71 10.321,72 23.575,73 12.47,74 0.162,75 1.692,76 32.011,77 12.209,78 29.091,79 15.528,80 0.276,81 1.606,82 28.859,83 10.19,84 40.695,85 12.221,86 0.248,87 1.488,88 30.4,89 10.415,90 44.478,91 13.571,92 0.404,93 1.233,94 23.583,95 7.397,96 62.095,97 9.131,98 0.219,99 1.008,100 20.615,101 7.995,102 26.754,103 10.528,104 17,105 50,106 0.263,107 0.634,108 0.755,109 0.818,110 0.833,111 0.84,112 3.441,113 0.936,114 -5.11,115 -5.01,116 -4.69,119 45.1,120 2,121 2,142 6,143 6,144 2,147 1,148 1,152 1,159 1,161 1,163 1,164 1,165 1,172 14,174 1,175 3,177 1,178 3,179 1,180 5,183 22,185 1,188 2,193 5,196 17,198 1,200 8,202 1,203 1,205 11,208 10,210 2,213 10,218 9,221 3,223 3,225 10,230 9,233 4,235 3,238 2,243 3,246 8,250 1,253 2,254 1,255 1,257 1,258 14,264 1,269 1,272 14,276 1324,277 20.204,278 20.204,279 20.204,280 20.204,281 20.204,282 17.385,283 25.444,284 11.671,285 20.624,286 16.842,287 16.842,288 16.842,289 16.842,290 16.842,291 12.463,292 33.935,293 5.607,294 17.546,295 4.076,296 1.826,297 1.094,298 0.711,299 0.618,300 0.579,301 4.151,305 1,306 1,307 795,308 3.24,311 46.891,312 264.805,315 175.597,316 90.931,319 1.951,320 22.583,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 63.5,332 356,333 4.774,334 3.566,335 7.107,336 4.333,337 3.368,338 4.724,339 1.656,340 12.368,341 3.261,342 4.241,343 3.431,344 6.267,345 3.822,346 2.85,347 3.912,348 0.247,349 9.349,350 2.77,351 4.174,352 2.921,353 5.723,354 3.769,355 2.785,356 3.817,358 8.097,359 2.733,360 3.813,361 2.875,362 5.63,363 3.457,364 2.49,365 3.202,367 7.486,368 2.399,369 3.622,370 2.508,371 5.377,372 3.204,373 2.257,374 2.959,376 6.839,377 2.136,378 3.443,379 2.254,380 5.117,381 3.002,382 2.065,383 2.772,385 6.057,386 1.922,387 3.258,388 2.147,389 4.972,390 2.879,391 1.879,392 2.538,394 5.693,395 1.879,396 3.232,397 2.129,398 4.722,399 2.805,400 1.865,401 2.481,403 4.963,404 1.747,405 3.1,406 1.971,407 4.618,408 2.7,409 1.733,410 2.275,412 4.861,413 1.672,414 3.013,415 1.906,416 4.499,417 2.649,418 1.657,419 2.165,421 4.567,422 1.607,423 2.816,424 1.374,425 4.156,426 2.286,427 1.344,428 1.96,430 3.411,431 1.261,432 2.301,433 0.958,434 3.576,435 1.853,436 0.893,437 1.225,439 2.222,440 0.852,441 1.861,442 0.648,443 3.25,444 1.476,445 0.575,446 0.719,448 1.468,449 0.507,450 1.311,451 0.62,452 3.024,453 1.017,454 0.07,455 0.083,457 0.201,458 0.066,459 1.187,460 0.277,461 2.628,462 0.775,463 -0.214,464 -0.275,466 -0.553,467 -0.205,468 14.667,469 0.489,470 0.87,471 0.029,472 42.5,473 1.417,474 23,475 0.767,476 19.5,477 0.65,478 25.145,479 0.838,480 30.333,481 0.595,482 30.302,483 1.01,484 7.981,485 0.266,486 6.493,487 0.216,488 0.118,490 0.409,496 0.87,497 1.046,498 0.735,499 0.802,500 0.74,501 0.787,502 0.399,503 0.845,504 0.7,505 0.815,506 0.419,507 0.794,508 1.017,509 1.127,510 1.091,511 1.094,512 0.962,513 1.071,514 0.712,515 1.206,516 0.979,517 1.177,518 0.666,519 1.041,520 1.61,521 1.189,522 1.26,523 1.151,524 1.535,525 1.172,526 1.199,527 1.019,528 0.868,529 0.896,530 1.148,531 0.881,532 2.243,533 0.834,534 1.063,535 0.752,536 2.589,537 0.955,538 0.735,539 0.691,540 0.756,541 0.802,542 0.935,543 0.833,544 7,545 0.165,546 2.667,547 3.132,548 2.044,549 1.021,550 0.508,551 0.426,552 0.271,553 0.252,554 12924,555 33110,556 2.145,557 41.2,558 8,559 6,561 1,562 4,563 2,567 1.724,568 2,569 3.511,570 1.598,572 1,577 81.403,578 1.596,579 3.846,580 4.579,581 4.961,582 5.055,583 5.094,584 2.966,585 4.257,586 4.879,587 3.724,588 1619.88,589 8.488,590 22553.6,592 1,595 289.294,596 1.429,597 4.837,598 0.206,599 0.007,600 0.053,601 0.061,602 0.042,603 0.026,604 0.014,605 0.016,606 0.01,607 0.01,608 0.444,609 0.17,610 0.88,611 0.551,612 154.735,613 -0.109,614 0.046,615 0.046,616 0.104,617 -0.111,618 0.084,619 0.362,620 0.195,621 0.191,622 0.154,623 0.209,624 0.139,625 -0.147,626 -0.098,627 -0.128,628 -0.091,629 -0.143,630 -0.132,631 0.118,632 -0.234,633 0.068,634 -0.134,635 0.148,636 -0.039,637 -0.294,638 -0.158,639 -0.281,640 -0.205,641 -0.21,642 -0.253,643 -0.042,644 -0.066,645 0.093,646 0.036,647 0.053,648 0.111,649 -0.485,650 0.152,651 -0.2,652 0.087,653 -0.505,654 -0.048,655 0.185,656 0.203,657 0.174,658 0.167,659 0.069,660 0.202,661 1.921,662 5.495,663 0.767,664 30.009,665 1,666 1.117,667 3.882,668 15.068,669 0.71,670 3.555,671 3.932,672 4.234,673 4.605,674 4.86,675 5.011,676 5.153,677 5.394,678 5.481,679 5.587,680 7.162,681 0.671,682 415.56,683 3.555,684 5.13,685 6.004,686 6.919,687 7.811,688 8.732,689 9.634,690 10.559,691 11.468,692 12.395,693 9.8,697 1,700 2,703 2,708 2,709 7,710 2,713 1,714 9,716 22,727 1,735 51,737 23,738 2,739 34,741 55,742 23,743 18,744 6,745 6,748 5,749 11,753 1,754 2,757 2,760 2,762 19,763 4,767 1,772 1,776 1,780 1,783 21,784 6,785 4,786 7,787 1,792 5,797 0.4,798 1,810 1,815 1,816 4,819 2,820 1,843 2,845 1,847 2,851 30,852 1,858 2,860 2,869 1,874 2,877 1,881 15,882 9.9,883 6.333,884 3.011,886 4.288,887 1.506,888 1.058,889 4.764,890 12.769,891 3.85,892 4.535,893 5.164,894 5.855,895 6.419,896 6.798,897 7.219,898 7.744,899 8.059,900 8.436,901 0.875,902 51,903 11.073,905 4.816,906 7.661,907 21.328,909 18.099,911 2.161,912 64.833,915 1,916 200.109,917 151.767,918 102.49,920 25.145,922 31.278,923 120.489,924 225.254,925 102.49,926 17.65,927 41.091,928 89.755,929 70.804,930 32.633,931 7.962,932 219.615,934 200.109,935 222.979,936 25.145,937 31.278,939 200.109,940 25.145,943 67.677,944 121.731,945 33.571,946 31.278,947 200.109,948 127.635,949 151.767,952 200.109,953 68.64,954 83.126,955 36.022,956 91.613,957 200.109,958 127.635,959 151.767,961 0.594,962 0.343,963 0.203,964 0.11,965 27,966 12,967 0.036,968 2,969 3,970 1.261,971 4.152,972 281.921,973 0.261,974 23,975 141.207,977 1,981 19.164,982 7.458,983 3.609,984 1.863,985 127.635,986 13.526,987 8.569,990 1.685,991 9.052,993 68.919,994 479.51,995 46,1000 12.495,1004 -0.255,1007 50.982,1008 56.943,1009 0.281,1010 0.678,1011 0.807,1012 0.875,1013 0.891,1014 0.898,1015 5.109,1016 1.865,1017 6.014,1018 5.693,1019 4.615,1020 5.223,1021 1.758,1022 6.87,1023 4.54,1024 6.353,1025 1.733,1026 7.593,1027 4.963,1028 4.29,1029 5.165,1030 1.195,1031 7.823,1032 4.197,1033 7.687,1034 1.657,1035 9.269,1036 4.861,1037 6.248,1038 7.51,1039 2.415,1040 10.98,1041 6.112,1042 9.055,1043 1.344,1044 11.002,1045 4.567,1046 6.698,1047 8.247,1048 2.324,1049 12.817,1050 6.54,1051 10.452,1052 0.893,1053 12.776,1054 3.411,1055 8.168,1056 10.105,1057 3.244,1058 15.521,1059 7.977,1060 11.872,1061 0.575,1062 14.579,1063 2.222,1064 9.004,1065 11.247,1066 3.407,1067 17.76,1068 8.786,1069 13.313,1070 0.07,1071 16.408,1072 1.468,1073 10.283,1074 12.904,1075 4.156,1076 20.321,1077 10.036,1078 3.368,1079 -0.214,1080 18.257,1081 0.201,1082 11.309,1083 14.252,1084 4.464,1085 22.727,1086 11.03,1087 2.85,1088 12.368,1089 20.124,1090 -0.553,1091 12.519,1092 15.829,1093 5.111,1094 25.247,1095 12.211,1096 2.785,1097 9.349,1098 22.006,1099 4.724,1100 13.635,1101 17.277,1102 5.504,1103 27.718,1104 13.294,1105 2.49,1106 8.097,1107 23.901,1108 3.912,1109 14.826,1110 18.825,1111 6.091,1112 30.229,1113 14.455,1114 2.257,1115 7.486,1116 25.806,1117 3.817,1118 15.985,1119 20.323,1120 6.531,1121 32.726,1122 15.58,1123 2.065,1124 6.839,1125 27.721,1126 3.202,1127 17.175,1128 21.863,1129 7.083,1130 35.236,1131 16.738,1132 1.879,1133 6.057,1134 29.643,1135 2.959,1136 18.355,1137 23.385,1138 7.551,1139 37.743,1140 17.886,1141 11942,1142 19299,1143 22.887,1144 36.222,1145 52.117,1146 52.887,1147 53.722,1148 51.573,1149 51.665,1150 69.664,1151 3.806,1152 155.16,1153 49.623,1154 5.66,1155 5.566,1156 6.644,1157 5.461,1158 5.368,1159 7.724,1160 2.912,1161 19.834,1162 5.261,1163 14.574,1164 1.533,1165 1.556,1166 1.58,1167 1.517,1168 1.52,1169 2.049,1170 0.112,1171 4.564,1172 1.46,1173 4.142,1174 4.157,1175 4.355,1176 4.135,1177 7.431,1178 4.1,1179 3.953,1180 3.985,1181 3.907,1182 3.887,1183 5.22,1184 3.883,1185 3.839,1186 3.873,1187 3.833,1188 3.77,1189 4.799,1190 3.758,1191 3.519,1192 3.576,1193 3.489,1194 3.338,1195 4.744,1196 3.345,1197 3.363,1198 3.414,1199 3.397,1200 3.145,1201 4.682,1202 3.174,1203 3.266,1204 3.35,1205 3.119,1206 3.125,1207 4.266,1208 3.101,1209 3.12,1210 3.181,1211 3.067,1212 3.002,1213 4.017,1214 2.977,1215 3.029,1216 3.118,1217 2.948,1218 2.872,1219 3.966,1220 2.853,1221 0.14,1222 0.105,1223 0.209,1224 0.127,1225 0.099,1226 4.774,1227 0.139,1228 3.566,1229 0.049,1230 7.107,1231 0.364,1232 4.333,1233 0.096,1234 3.368,1235 4.724,1236 1.656,1237 12.368,1238 3.261,1239 2.006,1240 1.986,1241 2.09,1242 2.081,1243 1.355,1244 2.084,1245 1.936,1246 1.908,1247 2.055,1248 2.025,1249 1.183,1250 2.035,1251 1.759,1252 1.729,1253 1.787,1254 1.915,1255 0.937,1256 1.896,1257 1.542,1258 1.511,1259 1.695,1260 1.706,1261 0.866,1262 1.707,1263 1.303,1264 1.226,1265 1.639,1266 1.526,1267 0.719,1268 1.557,1269 1.276,1270 1.225,1271 1.485,1272 1.507,1273 0.524,1274 1.523,1275 1.107,1276 1.069,1277 1.285,1278 1.285,1279 0.485,1280 1.294,1281 0.991,1282 0.927,1283 1.202,1284 1.252,1285 0.255,1286 1.271,1287 4.234,1289 5.595,1290 2.398,1291 7.146,1292 4.844,1293 8.794,1294 7.081,1295 10.496,1297 4.027,1301 6.162,1303 1.845,1305 5.863,1314 34.223,1315 81.403,1316 196.158,1317 233.519,1318 253.029,1319 257.784,1320 259.784,1321 41.864,1322 8.482,1323 92.93,1324 121.17,1325 29,1326 12.903,1327 4.585,1328 3.7,1329 41.852,1330 133,1331 110,1332 0.158,1333 211.325,1334 354.32,1335 507.392,1336 63285,1338 20.828,1339 0.694,1340 0.585,1341 21.181,1342 17.56,1343 14.474,1344 0.426,1345 0.312,1346 9.774,1347 13.662,1348 9.384,1349 7.796,1350 14.883,1351 10.608,1352 13.859,1353 0.277,1354 0.175,1355 14.501,1356 8.75,1357 11.33,1358 0.167,1359 0.095,1360 12.109,1361 6.481,1362 10.732,1363 0.108,1364 0.054,1365 11.693,1366 5.333,1367 8.49,1368 0.066,1369 0.029,1370 9.45,1371 3.764,1372 0.25,1373 93.519,1374 0.209,1375 28.408,1376 0.424,1377 168,1378 435.864,1379 205.247,1380 457.007,1381 640.17,1382 428,1383 202,1384 471.661,1385 235.205,1386 501.053,1387 736.96,1388 471,1389 5.1}
{0 CHEMBL1964692,1 1.794,2 12.839,3 3.475,4 12.077,5 111.37,6 8.884,7 0.647,8 4.012,9 4.133,10 3.704,11 3.525,12 5.288,13 3.556,14 4.513,15 4.66,16 4.156,17 3.905,18 6.208,19 3.929,20 4.685,21 4.855,22 4.132,23 4.033,24 5.994,25 4.031,26 4.807,27 5.006,28 4.121,29 4.005,30 6.147,31 3.999,32 4.768,33 4.982,34 4.016,35 3.895,36 6.167,37 3.888,38 4.68,39 4.917,40 3.779,41 3.785,42 5.912,43 3.748,44 4.48,45 4.694,46 3.743,47 3.654,48 6.077,49 3.604,50 4.383,51 4.624,52 3.535,53 3.56,54 5.545,55 3.496,56 0.224,57 0.985,58 6.729,59 3.856,60 30.14,61 4.092,62 0.936,63 1.849,64 14.143,65 6.505,66 140.269,67 7.179,68 0.565,69 1.704,70 16.917,71 7.787,72 54.589,73 8.811,74 0.789,75 1.813,76 22.776,77 9.104,78 96.946,79 10.505,80 0.959,81 1.61,82 23.457,83 7.687,84 107.667,85 9.102,86 0.853,87 1.373,88 24.012,89 7.771,90 121.624,91 9.395,92 0.924,93 1.146,94 17.908,95 6.462,96 134.38,97 8.432,98 0.525,99 1.055,100 17.698,101 6.831,102 68.768,103 8.805,104 38,105 50,106 0.3,107 0.646,108 0.759,109 0.843,110 0.859,111 0.866,112 3.471,113 0.807,114 -4.51,115 -4.44,116 -4.18,119 43.8,124 1,132 1,142 8,143 4,144 2,145 2,147 1,152 1,159 1,163 1,164 1,165 1,166 1,172 10,175 3,177 1,178 3,179 1,180 5,183 11,185 1,187 1,188 4,190 1,191 1,193 5,196 8,198 1,199 1,200 8,205 7,208 2,210 1,213 10,215 1,216 1,218 7,223 2,225 6,230 5,233 4,235 2,238 1,241 1,243 1,246 8,250 1,253 2,254 1,255 1,257 1,258 8,263 1,267 1,272 6,276 1552,277 20.281,278 20.281,279 20.281,280 20.281,281 20.281,282 17.533,283 22.502,284 11.643,285 20.8,286 16.79,287 16.79,288 16.79,289 16.79,290 16.79,291 12.625,292 31.901,293 5.522,294 17.699,295 3.791,296 1.724,297 1.047,298 0.547,299 0.448,300 0.406,301 4.162,305 1,306 1,307 859,308 3.937,311 75.198,312 309.999,315 140.807,319 2.069,320 48.326,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 70.5,332 398,333 4.726,334 4.46,335 7.116,336 4.264,337 3.32,338 4.708,339 3.825,340 11.8,341 3.214,342 4.453,343 3.562,344 6.97,345 4.18,346 3.287,347 3.869,348 1.656,349 11.69,350 2.898,351 4.124,352 3.315,353 6.064,354 3.725,355 2.751,356 3.737,357 0.247,358 8.672,359 2.678,360 3.904,361 2.745,362 5.583,363 3.566,364 2.606,365 3.234,367 7.672,368 2.476,369 3.732,370 2.588,371 5.384,372 3.343,373 2.383,374 3.103,376 7.021,377 2.266,378 3.425,379 2.411,380 5.264,381 2.983,382 2.013,383 2.736,385 6.033,386 1.939,387 3.361,388 2.09,389 4.781,390 2.896,391 1.943,392 2.649,394 5.282,395 1.839,396 3.122,397 1.844,398 4.682,399 2.667,400 1.703,401 2.349,403 4.832,404 1.637,405 2.87,406 1.789,407 4.411,408 2.431,409 1.477,410 1.985,412 4.187,413 1.382,414 2.684,415 1.241,416 4.14,417 2.165,418 1.21,419 1.77,421 3.26,422 1.153,423 2.57,424 1.189,425 3.634,426 2.092,427 1.112,428 1.6,430 2.592,431 1.078,432 2.5,433 1.139,434 3.488,435 2.004,436 1.053,437 1.5,439 2.534,440 1,441 2.467,442 1,443 3.414,444 2,445 1,446 1.453,448 2.275,449 0.998,450 1.36,451 0.641,452 2.975,453 1.048,454 0.097,455 0.115,457 0.259,458 0.092,459 1.179,460 0.51,461 2.731,462 0.777,463 -0.218,464 -0.284,466 -0.547,467 -0.214,468 14.09,469 0.455,470 1.039,471 0.034,472 43.5,473 1.403,474 23,475 0.742,476 20.5,477 0.661,478 21.962,479 0.708,480 33.31,481 0.694,482 37.175,483 1.199,484 8.971,485 0.289,486 5.748,487 0.185,488 0.148,489 0.035,490 0.348,493 3,496 0.637,497 0.973,498 0.637,499 0.927,500 0.631,501 0.813,502 0.427,503 0.775,504 0.631,505 0.875,506 0.37,507 0.847,508 0.725,509 0.928,510 0.905,511 1.058,512 0.632,513 1.051,514 0.968,515 1.136,516 1.017,517 1.2,518 0.904,519 1.151,520 0.966,521 0.816,522 1.102,523 0.959,524 0.98,525 1.041,526 1.044,527 0.844,528 1.128,529 0.908,530 1.023,531 0.998,532 0.388,533 0.636,534 0.892,535 0.975,536 0.414,537 1.102,538 0.641,539 0.796,540 0.843,541 1.03,542 0.685,543 1.039,544 8,545 0.176,546 3.778,547 3.104,548 1.591,549 1.264,550 0.736,551 0.324,552 0.339,553 0.277,554 14109,555 51232,556 2.038,557 35.4,559 11,561 2,562 4,567 1.731,568 1.869,569 3.605,570 1.664,572 1,577 86.088,578 1.794,579 3.861,580 4.538,581 5.038,582 5.137,583 5.179,584 3.039,585 4.389,586 4.93,587 3.846,588 1788.62,589 8.574,590 26588.8,592 1,594 1,595 268.078,596 1.663,597 4.859,598 0.235,599 0.007,600 0.076,601 0.062,602 0.034,603 0.031,604 0.022,605 0.011,606 0.013,607 0.01,608 0.501,609 0.17,610 1,611 0.778,612 163.735,613 -0.068,614 -0.033,615 0.004,616 0.04,617 -0.126,618 0.056,619 0.407,620 0.269,621 0.148,622 0.106,623 0.419,624 0.045,625 -0.08,626 -0.079,627 -0.113,628 -0.098,629 -0.032,630 -0.111,631 -0.113,632 -0.209,633 -0.087,634 -0.217,635 -0.064,636 -0.163,637 -0.085,638 0.021,639 -0.134,640 -0.039,641 -0.09,642 -0.084,643 -0.177,644 -0.029,645 -0.094,646 0.054,647 -0.153,648 0.038,649 0.401,650 0.16,651 0.081,652 -0.003,653 0.372,654 -0.074,655 0.074,656 -0.018,657 0.179,658 -0.006,659 0.007,660 0.082,661 5.737,662 5.179,663 0.677,664 31.74,665 1.035,666 1.148,667 3.284,668 10.782,669 0.68,670 3.555,671 3.932,672 4.174,673 4.454,674 4.654,675 4.663,676 4.82,677 4.868,678 4.92,679 4.963,680 7.848,681 0.681,682 426.44,683 3.555,684 5.13,685 5.984,686 6.887,687 7.759,688 8.661,689 9.542,690 10.442,691 11.329,692 12.229,693 12.5,697 1,700 2,701 1,703 2,708 2,709 10,710 2,714 6,715 1,716 22,727 1,735 48,737 23,738 2,739 34,741 51,742 21,743 18,744 4,745 8,748 4,749 5,753 1,754 1,759 1,762 19,763 2,767 1,772 1,776 1,780 1,781 3,783 17,784 9,785 4,786 10,792 6,797 0.75,798 1,807 1,809 1,815 1,816 3,819 1,843 3,847 1,849 3,851 31,852 1,860 2,865 1,873 3,874 2.1,877 1,881 16.583,882 8.862,883 6.556,884 2.546,886 4.21,887 1.533,888 1.028,889 5.399,890 12.115,891 3.85,892 4.514,893 5.119,894 5.761,895 6.296,896 6.564,897 7.026,898 7.406,899 7.659,900 7.982,901 1,902 50,903 11.871,905 5.594,906 8.282,907 20.709,909 16.878,911 2.782,912 86.25,915 1,916 153.024,917 136.452,918 104.144,920 25.145,921 44.88,923 136.452,924 178.169,925 149.024,926 8.396,927 36.022,928 108.707,929 82.136,930 82.395,931 8.748,932 129.482,933 7.76,934 153.024,935 240.596,936 70.025,939 153.024,940 70.025,943 63.652,944 143.495,945 33.449,947 197.905,948 129.289,949 136.452,952 160.784,953 26.391,954 104.078,955 36.022,956 136.371,957 153.024,958 174.169,959 136.452,961 0.599,962 0.341,963 0.184,964 0.1,965 25,966 12,967 0.059,968 3,969 1,970 1.095,971 4.193,972 277.997,973 0.095,974 21,975 144.825,981 20.853,982 8.026,983 4.382,984 1.568,985 172.392,986 14.681,987 8.442,991 1.663,992 1.648,993 68.919,994 463.645,995 46,1000 12.179,1004 -0.66,1007 49.661,1008 55.125,1009 0.321,1010 0.691,1011 0.813,1012 0.902,1013 0.92,1014 0.927,1015 5.109,1016 1.703,1017 6.023,1018 5.282,1019 4.615,1020 5.201,1021 3.244,1022 6.891,1023 4.517,1024 6.363,1025 1.477,1026 7.626,1027 4.832,1028 4.443,1029 5.147,1030 3.949,1031 8.052,1032 4.214,1033 7.704,1034 1.21,1035 9.337,1036 4.187,1037 6.308,1038 7.476,1039 5.464,1040 11.097,1041 6.098,1042 9.079,1043 1.112,1044 11.113,1045 3.26,1046 6.909,1047 8.215,1048 6.701,1049 13.069,1050 6.565,1051 10.485,1052 1.053,1053 12.931,1054 2.592,1055 8.325,1056 10.069,1057 8.065,1058 15.706,1059 7.98,1060 11.914,1061 1,1062 14.78,1063 2.534,1064 9.261,1065 11.206,1066 9.391,1067 17.987,1068 8.804,1069 13.361,1070 0.097,1071 16.651,1072 2.275,1073 10.518,1074 12.862,1075 10.736,1076 20.501,1077 10.035,1078 3.32,1079 -0.218,1080 18.539,1081 0.259,1082 11.598,1083 14.203,1084 12.075,1085 22.896,1086 11.026,1087 3.287,1088 11.8,1089 20.44,1090 -0.547,1091 12.802,1092 15.779,1093 13.417,1094 25.373,1095 12.189,1096 2.751,1097 11.69,1098 22.352,1099 4.708,1100 13.943,1101 17.222,1102 14.758,1103 27.81,1104 13.258,1105 2.606,1106 8.672,1107 24.273,1108 3.869,1109 15.133,1110 18.769,1111 16.1,1112 30.277,1113 14.4,1114 2.383,1115 7.672,1116 26.199,1117 3.737,1118 16.301,1119 20.262,1120 17.441,1121 32.73,1122 15.508,1123 2.013,1124 7.021,1125 28.131,1126 3.234,1127 17.488,1128 21.802,1129 18.783,1130 35.193,1131 16.647,1132 1.943,1133 6.033,1134 30.067,1135 3.103,1136 18.668,1137 23.32,1138 20.124,1139 37.653,1140 17.774,1141 13446,1142 25851,1143 22.076,1144 32.631,1145 52.714,1146 52.65,1147 53.459,1148 52.13,1149 51.91,1150 69.612,1151 11.457,1152 156.22,1153 49.298,1154 5.596,1155 6.46,1156 6.662,1157 5.312,1158 5.32,1159 7.708,1160 5.335,1161 19.198,1162 5.214,1163 18.431,1164 1.55,1165 1.549,1166 1.572,1167 1.533,1168 1.527,1169 2.047,1170 0.337,1171 4.595,1172 1.45,1173 4.136,1174 4.177,1175 4.112,1176 4.027,1177 8.513,1178 4.041,1179 3.95,1180 3.982,1181 3.91,1182 3.857,1183 7.999,1184 3.862,1185 3.858,1186 3.894,1187 3.806,1188 3.759,1189 7.999,1190 3.766,1191 3.476,1192 3.528,1193 3.452,1194 3.204,1195 7.431,1196 3.25,1197 3.359,1198 3.43,1199 3.308,1200 3.097,1201 5.232,1202 3.137,1203 3.262,1204 3.311,1205 3.223,1206 2.972,1207 4.847,1208 3.02,1209 3.148,1210 3.256,1211 3.007,1212 2.9,1213 4.724,1214 2.918,1215 2.92,1216 2.991,1217 2.788,1218 2.764,1219 4.683,1220 2.756,1221 0.139,1222 0.131,1223 0.209,1224 0.125,1225 0.098,1226 4.726,1227 0.138,1228 4.46,1229 0.113,1230 7.116,1231 0.347,1232 4.264,1233 0.095,1234 3.32,1235 4.708,1236 3.825,1237 11.8,1238 3.214,1239 1.99,1240 1.968,1241 2.063,1242 2.078,1243 1.206,1244 2.074,1245 1.904,1246 1.878,1247 2,1248 2.014,1249 1.099,1250 2.007,1251 1.762,1252 1.728,1253 1.861,1254 1.907,1255 0.967,1256 1.896,1257 1.459,1258 1.374,1259 1.664,1260 1.759,1261 0.697,1262 1.729,1263 1.275,1264 1.23,1265 1.393,1266 1.591,1267 0.358,1268 1.531,1269 1.086,1270 1.039,1271 1.344,1272 1.409,1273 0.267,1274 1.395,1275 1.065,1276 0.982,1277 1.205,1278 1.387,1279 0.233,1280 1.319,1281 0.91,1282 0.85,1283 1.181,1284 1.105,1285 0.218,1286 1.119,1287 4.234,1289 5.595,1290 2.398,1291 7.136,1292 4.844,1293 8.76,1294 7.018,1295 10.428,1297 1.778,1299 38.424,1301 6.026,1305 4.988,1310 -4.487,1314 32.681,1315 86.088,1316 185.349,1317 217.814,1318 241.814,1319 246.568,1320 248.568,1321 66.678,1322 7.905,1323 97.86,1324 97.86,1325 23,1326 12.753,1327 4.585,1328 3.7,1329 49.84,1330 150,1331 114,1332 0.163,1333 198.791,1334 342.78,1335 476.811,1336 33005,1337 6.3,1338 22.173,1339 0.715,1340 0.524,1341 19.673,1342 16.235,1343 14.719,1344 0.433,1345 0.269,1346 8.947,1347 13.951,1348 8.796,1349 7.271,1350 13.508,1351 9.141,1352 14.479,1353 0.29,1354 0.137,1355 12.521,1356 6.825,1357 11.171,1358 0.175,1359 0.073,1360 10.209,1361 4.69,1362 9.646,1363 0.113,1364 0.038,1365 9.128,1366 3.248,1367 7.714,1368 0.074,1369 0.02,1370 7.074,1371 2.103,1372 0.263,1373 93.816,1374 0.213,1375 29.515,1376 0.425,1377 168,1378 692.982,1379 198.11,1380 595.15,1381 785.8,1382 550,1383 198,1384 565.915,1385 221.461,1386 555.469,1387 828.13,1388 520,1389 5.1}
{0 CHEMBL1964777,1 1.898,2 7.9,3 2.601,4 6.763,5 74.101,6 9.942,7 0.727,8 3.522,9 3.596,10 3.374,11 3.178,12 4.848,13 3.165,14 3.954,15 4.038,16 3.783,17 3.544,18 5.368,19 3.514,20 4.146,21 4.254,22 3.804,23 3.527,24 5.518,25 3.505,26 4.046,27 4.176,28 3.606,29 3.369,30 5.425,31 3.352,32 3.89,33 4.047,34 3.366,35 3.29,36 5.141,37 3.253,38 3.919,39 4.058,40 3.509,41 3.299,42 5.44,43 3.267,44 3.901,45 4.092,46 3.243,47 3.183,48 5.219,49 3.084,50 3.546,51 3.738,52 3.067,53 2.773,54 4.974,55 2.721,56 0.12,57 0.467,58 2.985,59 2.482,60 14.301,61 2.167,62 0.227,63 0.723,64 5.633,65 4.219,66 27.117,67 3.766,68 0.456,69 0.877,70 12.942,71 5.713,72 50.08,73 4.452,74 0.458,75 0.755,76 11.749,77 5.155,78 47.471,79 4.403,80 0.275,81 0.648,82 8.847,83 4.201,84 32.807,85 4.206,86 0.375,87 0.69,88 6.607,89 3.818,90 39.194,91 3.753,92 0.375,93 0.747,94 11.711,95 4.744,96 44.467,97 4.417,98 0.22,99 0.564,100 9.286,101 3.645,102 27.774,103 3.478,104 11,105 31,106 0.357,107 0.671,108 0.812,109 0.9,110 0.9,111 0.9,112 3.058,113 0.894,114 -3.16,115 -3.15,116 -3.03,119 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 5,187 1,188 6,193 2,196 1,198 2,200 4,205 1,208 2,210 1,213 2,221 3,224 2,225 1,227 2,228 2,233 4,238 1,246 2,250 2,255 2,258 1,260 2,264 1,269 1,274 1,276 482,277 13.378,278 13.378,279 13.378,280 13.378,281 13.378,282 11.328,283 10.922,284 7.869,285 13.757,286 10.883,287 10.883,288 10.883,289 10.883,290 10.883,291 7.796,292 12.031,293 3.763,294 11.579,295 2.96,296 1.285,297 0.538,298 0.069,299 0.069,300 0.069,301 3.736,305 1,306 1,307 337,308 2.646,311 38.467,312 108.324,315 73.992,319 1.22,320 27.535,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 44.5,332 158,333 4.586,334 3.522,335 6.586,336 4.08,337 3.138,338 4.534,339 0.98,340 10.526,341 2.951,342 4.062,343 3.231,344 5.856,345 3.629,346 2.688,347 3.658,348 0.86,349 8.057,350 2.521,351 3.89,352 2.949,353 5.532,354 3.476,355 2.503,356 3.32,358 7.386,359 2.421,360 3.447,361 2.596,362 5.123,363 2.989,364 2.076,365 2.776,367 6.03,368 1.868,369 3.189,370 2.074,371 4.697,372 2.706,373 1.777,374 2.451,376 5.065,377 1.629,378 2.997,379 1.703,380 4.132,381 2.445,382 1.492,383 2.214,385 3.628,386 1.415,387 2.664,388 1.339,389 3.681,390 2.175,391 1.191,392 1.741,394 2.609,395 1.167,396 2.544,397 1.279,398 3.484,399 1.958,400 1,401 1.467,403 2.465,404 0.934,405 2.092,406 0.81,407 3.328,408 1.525,409 0.659,410 0.923,412 1.772,413 0.558,414 1.307,415 0.206,416 2.836,417 0.864,418 -0.039,419 -0.051,421 -0.103,422 -0.035,423 0.94,424 0.157,425 2.331,426 0.488,427 -0.408,428 -0.514,430 -0.915,431 -0.351,432 0.771,433 0.11,434 2,435 0.297,436 -0.628,437 -0.837,439 -1.647,440 -0.569,441 0.5,442 -0.403,443 2,444 0.054,445 -1,446 -1.255,448 -2,449 -0.912,450 0.491,451 -0.983,452 2,453 -0.064,454 -1,455 -1.5,457 -2.871,458 -0.999,459 0.301,460 -1,461 1.699,462 -0.132,463 -1.085,464 -1.564,466 -3.092,467 -1.053,468 9.586,469 0.479,470 0.541,471 0.027,472 28.75,473 1.438,474 16,475 0.8,476 12.75,477 0.638,478 12.436,479 0.622,480 20.414,481 0.704,482 18.945,483 0.947,484 5.777,485 0.289,486 3.854,487 0.193,488 0.106,490 0.365,494 1,496 0.699,497 0.807,498 0.651,499 0.742,500 0.633,501 0.692,502 0.749,503 0.886,504 0.768,505 0.887,506 0.549,507 0.826,508 1.279,509 1.078,510 1.225,511 1.223,512 1.122,513 1.048,514 1.021,515 1.008,516 1.082,517 1.138,518 0.901,519 1.05,520 0.855,521 0.896,522 0.861,523 0.879,524 0.729,525 0.946,526 0.649,527 0.9,528 0.779,529 0.853,530 0.797,531 1.022,532 1.061,533 0.991,534 1.331,535 1.076,536 1.055,537 1.153,538 1.099,539 1.493,540 1.051,541 1.31,542 1.316,543 1.104,544 4.5,545 0.025,546 2,547 1.382,548 1.206,549 0.434,550 0.404,551 0.24,552 0.138,553 0.084,554 3649,555 13955,556 2.077,557 31,559 5,561 2,562 2,567 1.619,568 1.935,569 3.016,570 0.41,572 1,574 1,577 55.049,578 1.898,579 3.573,580 4.32,581 4.789,582 4.789,583 4.789,584 2.466,585 3.922,586 4.294,587 3.142,588 596.928,589 7.344,590 6029.79,591 1,592 1,593 1,594 1,595 140.881,596 1.441,597 4.248,598 0.205,599 0.006,600 0.065,601 0.048,602 0.048,603 0.02,604 0.018,605 0.015,606 0.012,607 0.014,608 0.449,609 0.67,610 1,611 0.843,612 87.777,613 -0.091,614 0.053,615 0.017,616 0.095,617 -0.11,618 0.082,619 -0.016,620 -0.005,621 0.062,622 0.046,623 0.075,624 0.01,625 -0.173,626 -0.108,627 -0.146,628 -0.156,629 -0.169,630 -0.132,631 0.007,632 -0.103,633 -0.094,634 -0.156,635 -0.046,636 -0.106,637 -0.1,638 -0.059,639 -0.038,640 -0.005,641 -0.041,642 0.03,643 0.189,644 -0.016,645 -0.001,646 -0.022,647 0.081,648 -0.141,649 -0.096,650 0.06,651 -0.187,652 -0.013,653 -0.081,654 -0.085,655 -0.009,656 -0.317,657 0.189,658 -0.187,659 -0.023,660 0.02,661 2.164,662 5.139,663 0.75,664 13.33,665 1.034,666 1.115,667 1.928,668 3.716,669 0.743,670 3.135,671 3.466,672 3.714,673 3.989,674 4.205,675 4.277,676 4.29,677 4.419,678 4.369,679 4.344,680 4.933,681 0.729,682 288.32,683 3.135,684 4.673,685 5.517,686 6.399,687 7.266,688 8.153,689 9.03,690 9.92,691 10.801,692 11.693,693 6.9,700 1,703 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 22,741 31,742 14,743 13,744 2,745 4,746 1,748 3,749 4,762 14,767 1,772 1,776 1,780 1,781 1,783 9,784 5,785 2,786 6,787 1,792 2,797 0.667,798 2,809 1,815 1,816 2,819 1,843 2,845 1,849 1,851 20,852 1,861 1,869 1,873 1,874 6.9,877 1,879 1,881 10.333,882 5.26,883 4.333,884 1.537,886 3.234,887 1.48,888 1.027,889 3.365,890 9.973,891 3.466,892 4.123,893 4.735,894 5.367,895 5.912,896 6.241,897 6.559,898 7.018,899 7.186,900 7.459,901 1,902 29,903 7.355,905 3.202,906 8.15,907 13.454,909 10.924,911 2.65,912 53,916 82.398,917 125.743,918 49.683,920 36.145,921 14.96,922 31.278,923 94.466,924 118.543,925 64.643,927 32.897,928 47.381,929 70.177,930 51.276,931 17.064,932 90.133,934 82.398,935 144.148,936 51.105,937 31.278,939 97.358,940 36.145,943 50.992,944 76.371,945 16.786,946 31.278,947 97.358,948 85.828,949 125.743,952 82.398,953 60.267,954 65.476,956 100.788,957 82.398,958 100.788,959 125.743,961 0.585,962 0.332,963 0.178,964 0.102,965 16,966 7,967 0.097,968 3,969 1,970 1.133,971 3.233,972 151.619,973 0.133,974 15,975 86.439,977 1,981 13.005,982 5.175,983 2.659,984 1.51,985 100.788,986 10.611,987 4.044,990 1.242,991 0.867,993 32.897,994 308.929,995 31,1000 11.207,1004 -0.497,1007 29.982,1008 32.336,1009 0.391,1010 0.736,1011 0.889,1012 0.986,1013 0.986,1014 0.986,1015 4.682,1016 1,1017 5.509,1018 2.609,1019 4.143,1020 4.808,1021 1.481,1022 6.312,1023 4.019,1024 5.916,1025 0.659,1026 7.062,1027 2.465,1028 3.761,1029 4.677,1031 7.172,1032 3.575,1033 7.234,1034 -0.039,1035 8.712,1036 1.772,1037 5.727,1038 7.085,1039 1.37,1040 10.264,1041 5.488,1042 8.588,1043 -0.408,1044 10.418,1045 -0.103,1046 6.133,1047 7.78,1049 11.957,1050 5.823,1051 9.973,1052 -0.628,1053 12.159,1054 -0.915,1055 7.595,1056 9.667,1057 1.275,1058 14.565,1059 7.245,1060 11.38,1061 -1,1062 13.927,1063 -1.647,1064 8.373,1065 10.769,1067 16.622,1068 7.945,1069 12.805,1070 -1,1071 15.713,1072 -2,1073 9.628,1074 12.435,1075 1.193,1076 19.059,1077 9.16,1078 3.138,1079 -1.085,1080 17.514,1081 -2.871,1082 10.586,1083 13.744,1085 21.28,1086 10.04,1087 2.688,1088 10.526,1089 19.328,1090 -3.092,1091 11.757,1092 15.313,1093 1.123,1094 23.657,1095 11.166,1096 2.503,1097 8.057,1098 21.151,1099 4.534,1100 12.804,1101 16.725,1103 25.951,1104 12.137,1105 2.076,1106 7.386,1107 22.983,1108 3.658,1109 13.944,1110 18.255,1111 1.062,1112 28.309,1113 13.225,1114 1.777,1115 6.03,1116 24.822,1117 3.32,1118 15.033,1119 19.717,1121 30.635,1122 14.244,1123 1.492,1124 5.065,1125 26.666,1126 2.776,1127 16.164,1128 21.231,1129 1.01,1130 32.988,1131 15.318,1132 1.191,1133 3.628,1134 28.516,1135 2.451,1136 17.275,1137 22.717,1139 35.328,1140 16.362,1141 3594,1142 7131,1143 14.622,1144 21.551,1145 33.578,1146 34.071,1147 34.145,1148 33.113,1149 33.05,1150 46.163,1151 3.68,1152 95.074,1153 30.926,1154 5.348,1155 5.522,1156 6.143,1157 5.209,1158 5.138,1159 7.534,1160 1.96,1161 17.433,1162 4.951,1163 9.515,1164 1.526,1165 1.549,1166 1.552,1167 1.505,1168 1.502,1169 2.098,1170 0.167,1171 4.322,1172 1.406,1173 4.078,1174 4.081,1175 4.334,1176 4.08,1177 8.201,1178 4.032,1179 3.875,1180 3.897,1181 3.848,1182 3.802,1183 7.437,1184 3.801,1185 3.488,1186 3.524,1187 3.506,1188 3.307,1189 5.024,1190 3.319,1191 3.077,1192 3.133,1193 3.184,1194 2.893,1195 4.877,1196 2.89,1197 3.001,1198 3.032,1199 2.934,1200 2.758,1201 4.698,1202 2.794,1203 2.894,1204 2.954,1205 2.813,1206 2.733,1207 4.249,1208 2.734,1209 2.734,1210 2.784,1211 2.696,1212 2.656,1213 4.183,1214 2.633,1215 2.35,1216 2.441,1217 2.282,1218 2.074,1219 3.529,1220 2.035,1221 0.208,1222 0.16,1223 0.299,1224 0.185,1225 0.143,1226 4.586,1227 0.206,1228 3.522,1229 0.045,1230 6.586,1231 0.478,1232 4.08,1233 0.134,1234 3.138,1235 4.534,1236 0.98,1237 10.526,1238 2.951,1239 1.897,1240 1.882,1241 1.978,1242 2.01,1243 1.066,1244 1.999,1245 1.807,1246 1.785,1247 1.877,1248 1.897,1249 0.998,1250 1.899,1251 1.535,1252 1.539,1253 1.538,1254 1.696,1255 0.685,1256 1.68,1257 0.965,1258 0.936,1259 1.19,1260 1.235,1261 0.192,1262 1.246,1263 0.9,1264 0.837,1265 1.135,1266 1.11,1267 0.14,1268 1.109,1269 0.859,1270 0.804,1271 1.068,1272 1.068,1273 0.075,1274 1.072,1275 0.786,1276 0.744,1277 0.986,1278 0.932,1280 0.977,1281 0.497,1282 0.431,1283 0.653,1284 0.741,1286 0.758,1287 3.807,1289 5.13,1290 2.398,1291 6.64,1292 4.727,1293 8.237,1294 6.862,1295 9.878,1299 13.139,1301 5.261,1306 5.618,1314 21.15,1315 55.049,1316 103.62,1317 125.272,1318 138.881,1319 138.881,1320 138.881,1321 34.024,1322 6.739,1323 65.21,1324 93.45,1325 17,1326 12.223,1327 4.17,1328 3.322,1329 29.894,1330 58,1331 52,1332 0.256,1333 133.374,1334 224.02,1335 317.193,1336 6717,1337 3.4,1338 14.113,1339 0.706,1340 0.549,1341 13.596,1342 10.985,1343 9.631,1344 0.438,1345 0.298,1346 5.718,1347 8.762,1348 5.557,1349 4.576,1350 9.645,1351 6.557,1352 8.964,1353 0.289,1354 0.167,1355 8.972,1356 5.168,1357 7.165,1358 0.179,1359 0.094,1360 7.72,1361 3.761,1362 6.006,1363 0.113,1364 0.051,1365 6.493,1366 2.693,1367 4.819,1368 0.073,1369 0.026,1370 5.401,1371 1.735,1372 0.391,1373 64.917,1374 0.262,1375 19.686,1376 0.735,1377 106,1378 415.4,1379 144.29,1380 394.201,1381 524.26,1382 366,1383 124,1384 361.943,1385 159.938,1386 374.295,1387 546.72,1388 352,1389 5.1}
{0 CHEMBL1964804,1 1.736,2 10.875,3 1.117,4 1.247,5 91.16,6 8.377,7 0.654,8 3.824,9 3.914,10 3.659,11 3.419,12 4.93,13 3.382,14 4.343,15 4.48,16 3.841,17 3.754,18 5.707,19 3.716,20 4.551,21 4.724,22 3.769,23 3.851,24 5.7,25 3.778,26 4.495,27 4.691,28 3.65,29 3.773,30 5.529,31 3.672,32 4.492,33 4.721,34 3.584,35 3.658,36 5.612,37 3.565,38 4.307,39 4.522,40 3.522,41 3.562,42 5.312,43 3.468,44 4.207,45 4.39,46 3.552,47 3.516,48 5.352,49 3.43,50 4.255,51 4.468,52 3.438,53 3.405,54 5.487,55 3.313,56 0.096,57 0.619,58 9.75,59 4.042,60 15.907,61 4.413,62 0.398,63 0.956,64 18.081,65 6.634,66 56.078,67 7.364,68 0.528,69 1.084,70 21.65,71 7.973,72 63.738,73 9.107,74 0.293,75 1.034,76 21.121,77 8.163,78 44.006,79 10.013,80 0.531,81 0.992,82 20.876,83 7.384,84 63.155,85 9.59,86 0.31,87 0.861,88 17.045,89 6.332,90 28.765,91 7.816,92 0.173,93 0.815,94 16.222,95 6.04,96 21.876,97 7.268,98 0.387,99 0.803,100 16.334,101 5.695,102 51.69,103 6.931,104 15,105 36,106 0.302,107 0.611,108 0.796,109 0.887,110 0.887,111 0.887,112 3.228,113 1.07,114 -1.67,115 -1.74,116 -1.76,119 41.5,124 1,125 2,142 5,143 4,144 1,145 4,172 9,174 1,175 4,178 2,183 11,187 1,188 5,191 1,196 9,200 5,208 5,212 2,213 5,218 1,221 2,225 5,228 1,230 1,238 5,243 1,249 3,250 2,255 2,263 1,264 2,269 2,276 862,277 15.947,278 15.947,279 15.947,280 15.947,281 15.947,282 13.643,283 6.915,284 9.536,285 16.318,286 12.887,287 12.887,288 12.887,289 12.887,290 12.887,291 9.379,292 6.587,293 4.568,294 13.486,295 3.622,296 1.849,297 0.789,298 0.262,299 0.262,300 0.262,301 3.911,305 1,306 1,307 554,308 3.536,312 204.517,316 106.416,319 1.885,320 24.919,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 52.5,332 261,333 4.622,334 4.306,335 6.394,336 4.03,337 3.098,338 4.423,339 0.86,340 9.951,341 2.992,342 4.451,343 3.041,344 6.296,345 4.001,346 3.006,347 4.363,349 9.605,350 2.861,351 4.143,352 2.866,353 6.012,354 3.704,355 2.723,356 3.789,358 8.646,359 2.674,360 3.659,361 2.539,362 5.303,363 3.262,364 2.318,365 3.066,367 6.807,368 2.177,369 3.118,370 1.861,371 4.468,372 2.614,373 1.623,374 2.427,376 4.47,377 1.612,378 3.037,379 1.618,380 4.272,381 2.561,382 1.618,383 2.272,385 4.004,386 1.517,387 2.839,388 1.564,389 3.653,390 2.372,391 1.437,392 1.99,394 3.059,395 1.338,396 2.596,397 1.371,398 3.604,399 2.243,400 1.294,401 1.64,403 2.913,404 1.224,405 2.49,406 1.11,407 3.476,408 2.042,409 1.094,410 1.482,412 2.517,413 1.033,414 2.15,415 1.028,416 3.163,417 1.636,418 0.653,419 0.976,421 1.534,422 0.641,423 1.566,424 0.653,425 3.061,426 1.311,427 0.428,428 0.468,430 0.981,431 0.375,432 1.091,433 0.472,434 2.623,435 0.633,436 -0.343,437 -0.467,439 -0.846,440 -0.331,441 1,442 -0.21,443 2.387,444 0.472,445 -0.466,446 -0.55,448 -1.173,449 -0.433,450 0.882,451 -0.359,452 2.209,453 0.357,454 -0.618,455 -0.927,457 -1.597,458 -0.6,459 0.82,460 -0.618,461 2,462 0.139,463 -0.835,464 -1.12,466 -2.107,467 -0.774,468 11.533,469 0.481,470 0.661,471 0.028,472 34.75,473 1.448,474 19.5,475 0.813,476 15.25,477 0.635,478 15.558,479 0.648,480 25.667,481 0.626,482 24.106,483 1.004,484 6.779,485 0.282,486 4.732,487 0.197,488 0.101,489 0.072,490 0.217,496 0.597,497 1.341,498 0.8,499 1.261,500 0.682,501 0.943,502 0.899,503 1.022,504 1.143,505 1.077,506 0.577,507 0.919,508 1.316,509 0.821,510 1.081,511 0.851,512 1.291,513 0.981,514 0.826,515 1.133,516 0.972,517 1.136,518 0.846,519 1.159,520 0.815,521 0.864,522 0.725,523 0.741,524 0.742,525 0.9,526 0.981,527 0.841,528 0.809,529 0.773,530 0.526,531 0.891,532 0.8,533 1.319,534 1.028,535 1.256,536 0.64,537 1.124,538 1.096,539 0.961,540 0.907,541 0.887,542 1.184,543 1.023,544 5.5,545 0.091,546 2.222,547 0.938,548 1.058,549 0.535,550 0.386,551 0.295,552 0.201,553 0.178,554 6786,555 22318,556 2.054,557 41.5,559 12,561 4,562 1,567 1.664,568 1.933,569 3.407,570 -0.26,571 1,572 1,574 1,577 71.176,578 1.736,579 3.509,580 4.568,581 5.095,582 5.095,583 5.095,584 2.928,585 4.137,586 4.553,587 3.611,588 996.73,589 7.835,590 12121.5,591 1,592 1,595 219.66,596 1.461,597 4.512,598 0.212,599 0.007,600 0.062,601 0.028,602 0.038,603 0.021,604 0.016,605 0.012,606 0.01,607 0.011,608 0.417,609 0.33,610 1,611 1.521,612 116.101,613 0.078,614 -0.188,615 0.225,616 -0.122,617 -0.153,618 0.004,619 0.099,620 0.07,621 -0.152,622 -0.048,623 0.283,624 0.002,625 -0.199,626 0.154,627 -0.224,628 0.065,629 -0.232,630 -0.049,631 -0.051,632 -0.196,633 -0.11,634 -0.191,635 -0.107,636 -0.161,637 0.135,638 0.047,639 0.082,640 0.102,641 0.054,642 0.078,643 -0.091,644 0.117,645 0.057,646 0.128,647 -0.025,648 0.085,649 -0.01,650 -0.317,651 -0.026,652 -0.229,653 0.064,654 -0.133,655 0.007,656 0.008,657 -0.004,658 -0.006,659 -0.031,660 -0.084,661 4.118,662 4.005,663 0.667,664 23.403,665 1.013,666 1.121,667 0.44,668 0.194,669 0.692,670 3.296,671 3.611,672 3.761,673 3.989,674 4.234,675 4.248,676 4.407,677 4.489,678 4.595,679 4.543,680 6.56,681 0.661,682 343.44,683 3.296,684 4.828,685 5.638,686 6.506,687 7.335,688 8.204,689 9.044,690 9.914,691 10.761,692 11.632,693 7.3,695 1,703 2,708 2,709 9,710 2,714 3,716 17,733 1,735 41,737 19,738 1,739 26,741 43,742 17,743 14,744 3,745 3,748 3,749 4,762 14,763 3,767 2,770 1,772 2,779 1,780 1,783 17,784 6,785 1,786 7,787 1,792 3,797 0.667,798 3,809 2,816 3,820 1,843 2,845 1,847 1,851 24,855 1,858 2,860 1,861 1,874 7.3,877 2,879 1,881 12.417,882 7.567,883 5.181,884 2.211,886 3.589,887 1.507,888 0.993,889 4.861,890 10.667,891 3.624,892 4.277,893 4.749,894 5.348,895 5.965,896 6.25,897 6.738,898 7.176,899 7.616,900 7.777,901 1,902 33,903 8.961,905 3.888,906 7.927,907 16.699,909 13.532,911 2.427,912 58.25,916 188.338,917 120.027,918 49.976,920 55.313,922 5.807,923 114.22,924 243.65,925 49.976,926 7.19,927 6.698,928 69.594,929 124.968,930 63.95,932 141.253,934 188.338,935 164.196,936 55.313,937 5.807,939 188.338,940 55.313,943 59.293,944 71.332,945 39.378,947 188.338,948 105.289,949 120.027,951 5.807,952 188.338,953 23.459,954 90.761,955 16.405,956 88.884,957 188.338,958 105.289,959 120.027,961 0.581,962 0.301,963 0.157,964 0.088,965 17,966 7,967 0.14,968 6,969 1,970 1.125,971 3.7,972 184.847,973 0.125,974 16,975 108.039,980 1,981 16.53,982 7.058,983 4.593,984 2.18,985 105.289,986 16.906,987 8.3,991 2.556,993 16.405,994 413.654,995 36.5,998 -3.201,1000 22.011,1007 41.549,1008 45.95,1009 0.324,1010 0.655,1011 0.853,1012 0.951,1013 0.951,1014 0.951,1015 4.838,1016 1.294,1017 5.645,1018 3.059,1019 4.29,1020 4.963,1021 0.908,1022 6.431,1023 4.209,1024 6.083,1025 1.094,1026 7.191,1027 2.913,1028 4.007,1029 5.037,1031 7.516,1032 3.879,1033 7.429,1034 0.653,1035 8.844,1036 2.517,1037 5.922,1038 7.314,1039 0.739,1040 10.418,1041 5.771,1042 8.816,1043 0.428,1044 10.56,1045 1.534,1046 6.415,1047 8.166,1049 12.251,1050 6.214,1051 10.235,1052 -0.343,1053 12.316,1054 0.981,1055 7.849,1056 9.972,1057 0.593,1058 14.73,1059 7.625,1060 11.676,1061 -0.466,1062 14.095,1063 -0.846,1064 8.679,1065 11.157,1067 16.828,1068 8.407,1069 13.134,1070 -0.618,1071 15.891,1072 -1.173,1073 9.921,1074 12.775,1075 0.469,1076 19.171,1077 9.622,1078 3.098,1079 -0.835,1080 17.697,1081 -1.597,1082 10.903,1083 14.112,1085 21.371,1086 10.558,1087 3.006,1088 9.951,1089 19.512,1090 -2.107,1091 12.064,1092 15.65,1093 0.366,1094 23.668,1095 11.688,1096 2.723,1097 9.605,1098 21.331,1099 4.423,1100 13.115,1101 17.057,1103 25.911,1104 12.695,1105 2.318,1106 8.646,1107 23.156,1108 4.363,1109 14.244,1110 18.56,1111 0.283,1112 28.193,1113 13.79,1114 1.623,1115 6.807,1116 24.983,1117 3.789,1118 15.327,1119 20.002,1121 30.454,1122 14.831,1123 1.618,1124 4.47,1125 26.813,1126 3.066,1127 16.444,1128 21.49,1129 0.217,1130 32.732,1131 15.912,1132 1.437,1133 4.004,1134 28.644,1135 2.427,1136 17.543,1137 22.949,1139 35.002,1140 16.969,1141 6640,1142 12158,1143 17.277,1144 28.358,1145 38.455,1146 40.176,1147 38.479,1148 38.569,1149 38.585,1150 53.794,1151 1.72,1152 108.973,1153 36.888,1154 5.515,1155 6.306,1156 6.081,1157 5.089,1158 5.098,1159 7.423,1160 1.72,1161 16.411,1162 4.992,1163 11.298,1164 1.479,1165 1.545,1166 1.48,1167 1.483,1168 1.484,1169 2.069,1170 0.066,1171 4.191,1172 1.419,1173 4.094,1174 4.117,1175 4.714,1176 4.041,1177 7.718,1178 4.04,1179 3.965,1180 3.935,1181 4.05,1182 3.924,1183 6.999,1184 3.781,1185 3.83,1186 3.855,1187 3.79,1188 3.721,1189 5.021,1190 3.725,1191 3.448,1192 3.491,1193 3.354,1194 3.286,1195 4.909,1196 3.289,1197 3.344,1198 3.404,1199 3.232,1200 3.186,1201 4.466,1202 3.174,1203 3.038,1204 3.089,1205 2.929,1206 2.945,1207 4.367,1208 2.936,1209 2.839,1210 2.914,1211 2.718,1212 2.651,1213 3.946,1214 2.657,1215 2.724,1216 2.797,1217 2.623,1218 2.513,1219 3.882,1220 2.529,1221 0.178,1222 0.166,1223 0.246,1224 0.155,1225 0.119,1226 4.622,1227 0.17,1228 4.306,1229 0.033,1230 6.394,1231 0.383,1232 4.03,1233 0.115,1234 3.098,1235 4.423,1236 0.86,1237 9.951,1238 2.992,1239 2.066,1240 2.046,1241 2.139,1242 2.135,1243 1.269,1244 2.138,1245 1.798,1246 1.788,1247 1.89,1248 1.954,1249 1.101,1250 1.985,1251 1.738,1252 1.749,1253 1.758,1254 1.884,1255 0.937,1256 1.904,1257 1.4,1258 1.357,1259 1.579,1260 1.607,1261 0.853,1262 1.638,1263 1.325,1264 1.267,1265 1.516,1266 1.498,1267 0.537,1268 1.509,1269 1.049,1270 1.003,1271 1.253,1272 1.189,1273 0.33,1274 1.215,1275 0.79,1276 0.732,1277 1.061,1278 1.096,1279 0.171,1280 1.112,1281 0.686,1282 0.607,1283 0.963,1284 0.928,1285 0.058,1286 0.955,1287 3.97,1289 5.283,1291 6.781,1293 8.361,1295 9.984,1297 1.115,1303 0.452,1305 2.379,1306 5.552,1314 27.083,1315 71.176,1316 143.869,1317 187.295,1318 208.905,1319 208.905,1320 208.905,1321 41.099,1322 7.078,1323 81.18,1324 89.56,1325 18,1326 12.18,1327 4.322,1328 3.524,1329 39.5,1330 93,1331 86,1332 0.205,1333 171.743,1334 289.64,1335 410.814,1336 11280,1338 16.993,1339 0.708,1340 0.581,1341 17.243,1342 13.954,1343 11.511,1344 0.443,1345 0.357,1346 7.429,1347 10.285,1348 7.066,1349 5.868,1350 12.438,1351 9.27,1352 10.977,1353 0.305,1354 0.2,1355 12.382,1356 7.195,1357 7.859,1358 0.187,1359 0.099,1360 8.323,1361 4.151,1362 6.449,1363 0.122,1364 0.052,1365 6.777,1366 2.769,1367 5.378,1368 0.079,1369 0.026,1370 5.602,1371 1.738,1372 0.327,1373 81.668,1374 0.241,1375 23.847,1376 0.544,1377 124,1378 407.69,1379 166.213,1380 411.84,1381 549.95,1382 380,1383 140,1384 371.191,1385 187.313,1386 409,1387 579.57,1388 380,1389 5.1}
{0 CHEMBL1964937,1 1.526,2 11.667,3 1.937,4 3.752,5 104.771,6 7.397,7 0.533,8 3.997,9 4.12,10 3.557,11 3.539,12 5.1,13 3.522,14 4.522,15 4.691,16 3.899,17 3.946,18 5.588,19 3.898,20 4.789,21 5.002,22 3.954,23 4.079,24 5.776,25 4.001,26 4.85,27 5.066,28 3.904,29 4.051,30 5.914,31 3.969,32 4.878,33 5.119,34 3.827,35 3.985,36 5.986,37 3.887,38 4.795,39 5.052,40 3.693,41 3.895,42 5.762,43 3.787,44 4.69,45 4.945,46 3.555,47 3.785,48 5.691,49 3.67,50 4.532,51 4.792,52 3.392,53 3.637,54 5.524,55 3.508,56 0.039,57 0.737,58 10.103,59 4.255,60 10.221,61 5.634,62 0.274,63 1.196,64 18.584,65 7.162,66 26.104,67 9.774,68 0.229,69 1.447,70 25.924,71 9.605,72 34.03,73 13.507,74 0.284,75 1.475,76 28.352,77 9.76,78 51.19,79 13.44,80 0.49,81 1.443,82 30.642,83 10.008,84 82.266,85 14.082,86 0.334,87 1.334,88 28.402,89 9.355,90 50.298,91 13.301,92 0.328,93 1.171,94 25.765,95 8.67,96 52.023,97 12.11,98 0.291,99 0.992,100 21.981,101 7.747,102 42.847,103 10.928,104 6,105 41,106 0.256,107 0.657,108 0.825,109 0.879,110 0.888,111 0.888,112 3.34,113 0.909,114 -3.21,115 -3.2,116 -3.07,119 42.9,121 1,125 3,127 1,135 1,136 1,142 7,143 3,145 1,151 1,159 1,161 1,172 12,174 1,175 4,178 3,180 3,183 12,188 3,192 1,193 5,196 7,200 6,205 9,208 3,213 8,216 2,218 4,221 2,225 6,228 1,230 2,233 2,237 1,238 4,243 3,246 5,250 1,253 1,254 1,255 2,258 7,263 1,264 1,267 1,269 2,272 7,276 1071,277 18.784,278 18.784,279 18.784,280 18.784,281 18.784,282 16.549,283 14.444,284 11.183,285 19.072,286 14.752,287 14.752,288 14.752,289 14.752,290 14.752,291 11.428,292 17.412,293 5.198,294 15.213,295 4.089,296 1.702,297 0.702,298 0.383,299 0.327,300 0.327,301 4.04,304 1,305 1,306 1,307 693,308 3.317,311 64.408,312 267.241,315 120.633,319 1.877,320 23.688,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 58,332 315,333 4.59,334 3.706,335 6.707,336 4.138,337 3.155,338 4.518,339 1.709,340 10.888,341 3.103,342 4.12,343 3.205,344 6.202,345 3.879,346 2.913,347 3.558,348 0.748,349 9.231,350 2.817,351 3.961,352 3.081,353 5.962,354 3.658,355 2.694,356 3.31,357 0.522,358 8.387,359 2.587,360 3.77,361 2.674,362 5.711,363 3.359,364 2.383,365 3.045,366 0.074,367 7.602,368 2.319,369 3.179,370 2.206,371 4.648,372 2.848,373 1.877,374 2.368,376 4.827,377 1.82,378 3.072,379 1.95,380 4.505,381 2.59,382 1.612,383 2.32,385 4.398,386 1.57,387 3.043,388 1.589,389 4.104,390 2.509,391 1.545,392 2.259,394 3.614,395 1.485,396 2.66,397 1.543,398 3.91,399 2.273,400 1.3,401 1.687,403 3.174,404 1.257,405 2.53,406 1.388,407 3.563,408 2.095,409 1.119,410 1.524,412 2.604,413 1.086,414 2.5,415 1.348,416 3.46,417 2,418 1,419 1.5,421 2.411,422 1,423 2.388,424 1.084,425 3.414,426 1.984,427 1,428 1.293,430 2.275,431 0.983,432 2.092,433 1.002,434 3.247,435 1.968,436 1,437 1.041,439 2.136,440 0.962,441 1.947,442 1,443 3.089,444 1.448,445 0.506,446 0.718,448 1.199,449 0.475,450 1.359,451 0.553,452 2.697,453 1.129,454 0.232,455 0.251,457 0.351,458 0.205,459 0.807,460 0.191,461 2.38,462 0.552,463 -0.422,464 -0.466,466 -1.012,467 -0.408,468 12.767,469 0.473,470 0.5,471 0.019,472 34.75,473 1.287,474 17,475 0.63,476 17.75,477 0.657,478 21.001,479 0.778,480 28.633,481 0.584,482 25.409,483 0.941,484 7.13,485 0.264,486 6.128,487 0.227,488 0.052,490 0.305,496 0.888,497 1.288,498 0.811,499 1.012,500 0.732,501 0.913,502 0.77,503 1.025,504 0.958,505 0.978,506 0.701,507 0.989,508 0.829,509 1.126,510 0.949,511 1.058,512 0.784,513 1.023,514 1.313,515 1.149,516 1.145,517 1.122,518 1.371,519 1.109,520 1.214,521 1.02,522 1.072,523 1.003,524 1.269,525 1.015,526 1.168,527 0.941,528 1.031,529 0.964,530 1.142,531 0.972,532 1.261,533 0.893,534 1.048,535 0.948,536 1.307,537 0.97,538 0.965,539 0.896,540 0.956,541 0.969,542 1.153,543 0.974,544 4,545 0.127,546 3.333,547 1.632,548 1.121,549 0.82,550 0.429,551 0.276,552 0.226,553 0.147,554 9785,555 24942,556 2.142,557 44.9,559 15,560 1,561 1,562 3,564 2,567 1.697,568 2.051,569 3.5,570 0.908,571 1,572 1,577 74.775,578 1.526,579 3.913,580 4.913,581 5.232,582 5.288,583 5.288,584 2.911,585 4.357,586 4.728,587 3.667,588 1287.2,589 8.184,590 16867.7,592 1,594 1,595 275.121,596 1.218,597 4.706,598 0.133,599 0.007,600 0.081,601 0.039,602 0.029,603 0.024,604 0.014,605 0.011,606 0.01,607 0.008,608 0.357,609 0.33,610 1,611 0.63,612 135.262,613 -0.092,614 -0.11,615 0.033,616 0.018,617 -0.076,618 0.039,619 0.092,620 0.111,621 -0.064,622 0.014,623 -0.019,624 -0.043,625 0.001,626 -0.099,627 -0.011,628 -0.065,629 -0.015,630 -0.043,631 -0.173,632 -0.144,633 -0.166,634 -0.155,635 -0.129,636 -0.157,637 0.014,638 -0.068,639 -0.051,640 -0.048,641 0.068,642 -0.056,643 -0.087,644 0.007,645 -0.014,646 -0.01,647 -0.047,649 -0.105,650 0.025,651 -0.023,652 0.019,653 -0.086,654 0.011,655 0.058,657 0.059,658 0.018,659 -0.016,660 0.03,661 1.825,662 5.605,663 0.778,664 25.654,665 1,666 1.125,667 1.979,668 3.915,669 0.669,670 3.434,671 3.738,672 4.043,673 4.29,674 4.477,675 4.5,676 4.625,677 4.71,678 4.754,679 4.828,680 6.863,681 0.638,682 362.47,683 3.434,684 4.963,685 5.82,686 6.691,687 7.563,688 8.439,689 9.316,690 10.196,691 11.075,692 11.957,693 8.2,700 2,701 1,703 1,708 2,709 9,710 1,711 1,714 2,716 16,735 49,737 18,738 1,739 30,741 52,742 21,743 13,744 1,745 5,746 2,748 4,749 5,753 1,754 1,757 1,760 2,762 16,763 5,767 2,772 1,774 1,776 2,779 1,780 1,783 22,784 5,785 3,786 6,792 4,797 0.75,798 2,799 1,809 1,811 1,815 1,816 3,819 1,834 1,835 1,841 1,843 3,851 27,857 1,858 4,860 1,863 1,864 1,874 4.1,875 1,877 1,881 13.167,882 8.433,883 6.056,884 2.862,886 3.173,887 1.424,888 0.987,889 5.232,890 10.658,891 3.714,892 4.287,893 4.882,894 5.452,895 5.925,896 6.136,897 6.501,898 6.827,899 6.846,900 7.126,901 0.875,902 42,903 10.004,905 4.285,906 7.735,907 19.186,909 15.952,911 2.235,912 60.333,916 223.651,917 118.772,918 54.706,920 67.828,923 118.772,924 291.479,925 54.706,927 27.881,928 127.541,929 55.417,930 37.963,931 16.047,932 200.109,934 223.651,935 173.478,936 67.828,939 200.109,940 48.687,941 42.683,943 55.429,944 91.787,945 26.262,947 223.651,948 122.534,949 118.772,952 223.651,953 24.867,954 97.029,955 34.796,956 84.614,957 223.651,958 122.534,959 118.772,961 0.572,962 0.349,963 0.193,964 0.101,965 20,966 8,967 0.077,968 4,969 1,970 1.095,971 3.987,972 228.886,973 0.095,974 21,975 124.382,981 17.774,982 7.948,983 3.749,984 1.98,985 105.749,986 17.26,987 4.33,988 3.199,991 2.045,993 77.48,994 464.957,995 40,1000 12.605,1002 2.092,1004 1.064,1007 49.014,1008 55.149,1009 0.272,1010 0.697,1011 0.875,1012 0.932,1013 0.942,1014 0.942,1015 4.934,1016 1.3,1017 5.784,1018 3.614,1019 4.419,1020 4.973,1021 2.019,1022 6.589,1023 4.36,1024 6.12,1025 1.119,1026 7.336,1027 3.174,1028 3.892,1029 4.649,1030 1.305,1031 7.496,1032 3.817,1033 7.415,1034 1,1035 8.994,1036 2.604,1037 5.999,1038 7.152,1039 2.575,1040 10.604,1041 5.886,1042 8.749,1043 1,1044 10.716,1045 2.411,1046 6.365,1047 7.755,1048 2.487,1049 12.375,1050 6.235,1051 10.12,1052 1,1053 12.479,1054 2.275,1055 7.883,1056 9.676,1057 3.427,1058 14.975,1059 7.722,1060 11.517,1061 0.506,1062 14.27,1063 2.136,1064 8.653,1065 10.734,1066 3.634,1067 17.082,1068 8.477,1069 12.935,1070 0.232,1071 16.08,1072 1.199,1073 9.93,1074 12.41,1075 4.397,1076 19.519,1077 9.729,1078 3.155,1079 -0.422,1080 17.904,1081 0.351,1082 10.888,1083 13.699,1084 4.754,1085 21.767,1086 10.671,1087 2.913,1088 10.888,1089 19.738,1090 -1.012,1091 12.067,1092 15.271,1093 5.417,1094 24.152,1095 11.829,1096 2.694,1097 9.231,1098 21.581,1099 4.518,1100 13.112,1101 16.673,1102 5.855,1103 26.466,1104 12.858,1105 2.383,1106 8.387,1107 23.429,1108 3.558,1109 14.253,1110 18.202,1111 6.462,1112 28.837,1113 13.981,1114 1.877,1115 7.602,1116 25.283,1117 3.31,1118 15.339,1119 19.658,1120 6.943,1121 31.183,1122 15.052,1123 1.612,1124 4.827,1125 27.141,1126 3.045,1127 16.467,1128 21.172,1129 7.52,1130 33.554,1131 16.164,1132 1.545,1133 4.398,1134 29.003,1135 2.368,1136 17.574,1137 22.654,1138 8.025,1139 35.915,1140 17.256,1141 9160,1142 14714,1143 20.572,1144 32.784,1145 45.09,1146 45.847,1147 45.982,1148 44.595,1149 44.672,1150 58.782,1151 6.105,1152 126.193,1153 43.34,1154 5.543,1155 5.706,1156 6.509,1157 5.184,1158 5.155,1159 7.518,1160 2.988,1161 18.019,1162 5.103,1163 9.337,1164 1.503,1165 1.528,1166 1.533,1167 1.486,1168 1.489,1169 1.959,1170 0.203,1171 4.206,1172 1.445,1173 4.125,1174 4.165,1175 4.088,1176 4.023,1177 7.429,1178 4.034,1179 3.939,1180 3.974,1181 3.869,1182 3.865,1183 6.456,1184 3.86,1185 3.801,1186 3.854,1187 3.718,1188 3.652,1189 5.064,1190 3.659,1191 3.518,1192 3.57,1193 3.423,1194 3.325,1195 4.75,1196 3.341,1197 3.372,1198 3.435,1199 3.262,1200 3.214,1201 4.467,1202 3.217,1203 3.195,1204 3.236,1205 3.099,1206 2.928,1207 4.273,1208 2.968,1209 3.039,1210 3.131,1211 2.814,1212 2.873,1213 4.025,1214 2.846,1215 2.866,1216 2.942,1217 2.744,1218 2.735,1219 3.868,1220 2.715,1221 0.153,1222 0.124,1223 0.224,1224 0.138,1225 0.105,1226 4.59,1227 0.151,1228 3.706,1229 0.057,1230 6.707,1231 0.363,1232 4.138,1233 0.103,1234 3.155,1235 4.518,1236 1.709,1237 10.888,1238 3.103,1239 1.931,1240 1.901,1241 2.051,1242 2.049,1243 1.303,1244 2.049,1245 1.913,1246 1.886,1247 2.028,1248 2.007,1249 1.2,1250 2.014,1251 1.779,1252 1.73,1253 1.912,1254 1.954,1255 1.015,1256 1.945,1257 1.483,1258 1.429,1259 1.677,1260 1.719,1261 0.834,1262 1.705,1263 1.391,1264 1.326,1265 1.578,1266 1.627,1267 0.696,1268 1.623,1269 1.095,1270 1.044,1271 1.432,1272 1.39,1273 0.643,1274 1.368,1275 1.08,1276 0.994,1277 1.28,1278 1.296,1279 0.36,1280 1.336,1281 0.935,1282 0.892,1283 1.181,1284 1.157,1285 0.228,1286 1.165,1287 4.111,1289 5.416,1290 2.398,1291 6.929,1292 4.727,1293 8.527,1294 6.843,1295 10.168,1302 9.64,1303 1.829,1305 2.923,1308 -0.399,1309 1.766,1314 31.256,1315 74.775,1316 191.721,1317 240.714,1318 256.366,1319 259.121,1320 259.121,1321 43.223,1322 7.485,1323 81.25,1324 81.25,1325 23,1326 12.492,1327 4.248,1328 3.459,1329 40.425,1330 113,1331 97,1332 0.175,1333 191.459,1334 327.54,1335 458.92,1336 18827,1338 18.64,1339 0.69,1340 0.553,1341 18.64,1342 14.929,1343 13.258,1344 0.442,1345 0.303,1346 8.971,1347 12.815,1348 8.816,1349 7.268,1350 13.258,1351 9.088,1352 11.404,1353 0.278,1354 0.162,1355 11.404,1356 6.623,1357 10.131,1358 0.181,1359 0.089,1360 10.131,1361 4.976,1362 8.474,1363 0.118,1364 0.048,1365 8.474,1366 3.48,1367 6.716,1368 0.077,1369 0.027,1370 6.716,1371 2.321,1372 0.279,1373 82.726,1374 0.22,1375 26.222,1376 0.467,1377 142,1378 385.841,1379 153.785,1380 376.091,1381 517.17,1382 354,1383 168,1384 377.377,1385 180.037,1386 383.82,1387 563.23,1388 363,1389 5.6}
{0 CHEMBL1965131,1 1.878,2 8.833,3 4.585,4 21.023,5 97.706,6 10.536,7 0.615,8 3.703,9 3.784,10 3.596,11 3.424,12 4.959,13 3.375,14 4.162,15 4.259,16 4.053,17 3.836,18 5.48,19 3.76,20 4.386,21 4.487,22 4.304,23 3.946,24 5.726,25 3.862,26 4.438,27 4.578,28 4.18,29 3.875,30 5.767,31 3.774,32 4.329,33 4.482,34 4.084,35 3.705,36 5.694,37 3.65,38 4.229,39 4.334,40 4.072,41 3.656,42 5.951,43 3.628,44 4.251,45 4.376,46 3.923,47 3.652,48 5.764,49 3.562,50 4.079,51 4.238,52 3.56,53 3.504,54 5.341,55 3.362,56 0.101,57 0.464,58 2.989,59 2.698,60 12.283,61 2.802,62 0.218,63 0.717,64 7.114,65 5.021,66 30.18,67 5.694,68 0.356,69 0.897,70 17.259,71 6.908,72 41.938,73 6.704,74 0.439,75 0.966,76 24.38,77 8.28,78 47.151,79 7.967,80 0.44,81 0.836,82 20.498,83 6.719,84 58.214,85 6.283,86 0.538,87 0.71,88 12.179,89 5.399,90 90.688,91 5.267,92 0.564,93 0.735,94 17.457,95 6.396,96 80.188,97 5.466,98 0.314,99 0.618,100 17.647,101 5.856,102 39.944,103 6.048,104 38,105 38,106 0.336,107 0.684,108 0.775,109 0.852,110 0.852,111 0.852,112 3.229,113 0.985,114 -4.97,115 -4.87,116 -4.57,119 47.2,120 1,142 6,143 3,144 3,152 2,158 2,163 1,164 1,165 1,172 8,175 1,177 1,178 2,180 2,183 13,188 3,193 4,196 11,198 1,200 4,203 1,204 1,205 5,207 1,208 4,210 1,213 3,218 4,221 4,223 1,224 1,225 6,227 1,228 1,230 4,233 6,235 3,238 5,243 3,246 9,248 3,250 2,255 2,258 10,260 2,264 1,269 1,272 7,274 1,276 834,277 15.637,278 15.637,279 15.637,280 15.637,281 15.637,282 13.37,283 14.937,284 8.886,285 16.004,286 12.757,287 12.757,288 12.757,289 12.757,290 12.757,291 9.306,292 17.631,293 4.178,294 13.53,295 3.292,296 1.348,297 0.841,298 0.41,299 0.41,300 0.41,301 3.901,302 2,305 1,306 1,307 448,308 3.317,311 50.849,312 137.672,315 96.7,319 1.208,320 32.124,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 51.667,332 212,333 4.751,334 3.662,335 7.014,336 4.265,337 3.328,338 4.716,339 1.058,340 11.963,341 3.109,342 4.183,343 3.517,344 6.175,345 3.81,346 2.813,347 3.759,348 0.98,349 8.853,350 2.803,351 4.041,352 3.398,353 6.014,354 3.601,355 2.675,356 3.544,358 8.482,359 2.458,360 3.659,361 2.799,362 5.482,363 3.284,364 2.284,365 3.021,367 6.617,368 2.281,369 3.55,370 2.587,371 5.119,372 3.053,373 2.14,374 2.913,376 6.096,377 1.869,378 3.317,379 2.147,380 4.997,381 2.835,382 1.898,383 2.625,385 5.663,386 1.715,387 2.873,388 2.037,389 4.403,390 2.414,391 1.465,392 1.958,394 3.971,395 1.366,396 2.689,397 1.875,398 4.006,399 2.155,400 1.164,401 1.659,403 3.015,404 1.112,405 2.5,406 1.344,407 3.637,408 2,409 1,410 1.5,412 2.275,413 1,414 2.303,415 1,416 3.414,417 1.699,418 0.832,419 1.179,421 2.169,422 0.681,423 1.465,424 0.857,425 2.847,426 0.917,427 0.19,428 0.229,430 0.423,431 0.11,432 1.161,433 0.488,434 2.787,435 0.827,436 -0.11,437 -0.132,439 -0.275,440 -0.098,441 1.11,442 0.159,443 2.424,444 0.671,445 -0.326,446 -0.431,448 -0.758,449 -0.311,450 0.624,451 0.07,452 2.254,453 0.085,454 -0.811,455 -1.075,457 -2,458 -0.592,459 0.5,460 -0.251,461 2,462 0.053,463 -1,464 -1.253,466 -2.226,467 -0.93,468 12.229,469 0.51,470 0.792,471 0.033,472 32.25,473 1.344,474 17.5,475 0.729,476 14.75,477 0.615,478 20.062,479 0.836,480 24.371,481 0.677,482 23.348,483 0.973,484 6.303,485 0.263,486 5.077,487 0.212,488 0.245,490 0.409,496 0.659,497 0.841,498 0.56,499 0.619,500 0.639,501 0.644,502 0.494,503 0.891,504 0.606,505 0.716,506 0.485,507 0.722,508 0.911,509 1.274,510 0.852,511 1.085,512 0.953,513 0.981,514 0.988,515 1.192,516 1.037,517 1.163,518 1.008,519 1.041,520 1.276,521 0.959,522 0.764,523 0.799,524 1.381,525 0.775,526 0.935,527 0.989,528 0.758,529 0.89,530 1.064,531 0.842,532 1.367,533 0.881,534 1.18,535 1.052,536 1.486,537 1.053,538 1.172,539 0.994,540 1.366,541 1.161,542 1.048,543 1.211,544 5.5,545 0.054,546 3.556,547 2.167,548 1.837,549 1.236,550 0.712,551 0.356,552 0.227,553 0.204,554 5529,555 20720,556 1.991,557 33.3,558 3,559 6,562 3,567 1.675,568 1.8,569 3.085,570 1.039,577 67.611,578 1.878,579 3.822,580 4.329,581 4.76,582 4.76,583 4.76,584 2.48,585 4.335,586 4.557,587 3.237,588 893.309,589 7.897,590 10210.3,592 1,595 186.117,596 1.555,597 4.478,598 0.212,599 0.008,600 0.094,601 0.054,602 0.051,603 0.037,604 0.021,605 0.013,606 0.011,607 0.016,608 0.517,609 0.33,610 1,611 0.882,612 111.842,613 -0.097,614 0.194,615 -0.007,616 0.138,617 -0.115,618 0.103,619 0.143,620 0.092,621 0.1,622 0.153,623 0.121,624 0.126,625 -0.007,626 -0.292,627 0.088,628 -0.116,629 -0.072,630 -0.096,631 -0.002,632 -0.151,633 -0.018,634 -0.115,635 -0.048,636 -0.08,637 -0.119,638 0.067,639 0.15,640 0.135,641 -0.156,642 0.166,643 0.332,644 -0.02,645 0.102,646 -0.03,647 0.392,648 0.006,649 -0.094,650 0.096,651 -0.15,652 -0.052,653 -0.076,654 -0.124,655 -0.225,656 -0.074,657 -0.26,658 -0.148,659 -0.149,660 -0.179,661 2.303,662 5.503,663 0.625,664 17.271,665 1.025,666 1.103,667 3.74,668 13.985,669 0.774,670 3.296,671 3.664,672 3.951,673 4.22,674 4.477,675 4.585,676 4.595,677 4.644,678 4.635,679 4.595,680 5.303,681 0.735,682 379.28,683 3.296,684 4.86,685 5.727,686 6.627,687 7.52,688 8.427,689 9.331,690 10.243,691 11.151,692 12.066,693 5.6,700 2,708 2,709 6,713 1,714 6,716 16,722 1,723 1,734 2,735 36,737 18,738 2,739 26,741 38,742 17,743 14,744 6,745 6,746 2,748 3,749 4,750 2,754 1,762 16,763 1,767 2,772 2,776 2,780 1,783 12,784 4,785 3,786 7,787 3,792 2,797 0.667,798 2,815 1,816 2,819 1,843 2,845 1,847 1,848 2,851 24,852 1,860 1,869 1,873 2,874 5.6,877 2,881 13.333,882 6.869,883 5.194,884 1.967,886 3.15,887 1.448,888 1.013,889 4.809,890 10.186,891 3.611,892 4.287,893 4.921,894 5.544,895 6.115,896 6.474,897 6.769,898 7.111,899 7.269,900 7.412,901 0.833,902 40,903 8.863,905 3.882,906 8.051,907 16.309,909 13.395,911 2.551,912 61.222,916 105.94,917 127.176,918 50.908,919 78.297,920 50.29,922 31.278,923 95.898,924 234.527,925 50.908,926 8.825,927 50.908,928 56.857,929 59.699,930 18.702,931 2.104,932 137.218,933 78.297,934 105.94,935 146.806,936 50.29,937 109.575,939 105.94,940 50.29,943 59.733,944 87.073,945 78.297,946 31.278,947 105.94,948 101.198,949 205.473,952 105.94,953 61.493,954 65.683,955 18.011,956 161.484,957 105.94,958 101.198,959 205.473,961 0.599,962 0.354,963 0.183,964 0.109,965 19,966 10,967 0.079,968 3,969 1,970 1.133,971 3.424,972 200.639,973 0.133,974 15,975 106.039,977 1,981 17.208,982 6.707,983 3.3,984 1.237,985 101.198,986 10.454,990 1.162,991 2.643,993 50.908,994 412.611,995 36,1000 24.259,1004 -0.99,1007 36.884,1008 39.715,1009 0.363,1010 0.739,1011 0.837,1012 0.921,1013 0.921,1014 0.921,1015 4.86,1016 1.164,1017 5.753,1018 3.971,1019 4.344,1020 4.973,1021 1.641,1022 6.616,1023 4.23,1024 6.118,1025 1,1026 7.356,1027 3.015,1028 4.111,1029 4.987,1031 7.639,1032 3.923,1033 7.461,1034 0.832,1035 9.058,1036 2.275,1037 5.994,1038 7.283,1039 1.677,1040 10.764,1041 5.79,1042 8.841,1043 0.19,1044 10.815,1045 2.169,1046 6.538,1047 8.099,1049 12.619,1050 6.248,1051 10.25,1052 -0.11,1053 12.609,1054 0.423,1055 7.953,1056 9.919,1057 1.719,1058 15.301,1059 7.647,1060 11.683,1061 -0.326,1062 14.429,1063 -0.275,1064 8.842,1065 11.113,1067 17.516,1068 8.449,1069 13.134,1070 -0.811,1071 16.268,1072 -0.758,1073 10.091,1074 12.753,1075 1.766,1076 20.054,1077 9.667,1078 3.328,1079 -1,1080 18.124,1081 -2,1082 11.139,1083 14.132,1085 22.424,1086 10.631,1087 2.813,1088 11.963,1089 19.993,1090 -2.226,1091 12.334,1092 15.706,1093 1.817,1094 24.916,1095 11.778,1096 2.675,1097 8.853,1098 21.872,1099 4.716,1100 13.455,1101 17.173,1103 27.35,1104 12.819,1105 2.284,1106 8.482,1107 23.761,1108 3.759,1109 14.636,1110 18.724,1111 1.874,1112 29.831,1113 13.941,1114 2.14,1115 6.617,1116 25.658,1117 3.544,1118 15.793,1119 20.234,1121 32.292,1122 15.021,1123 1.898,1124 6.096,1125 27.562,1126 3.021,1127 16.974,1128 21.779,1129 1.935,1130 34.771,1131 16.136,1132 1.465,1133 5.663,1134 29.471,1135 2.913,1136 18.149,1137 23.309,1139 37.243,1140 17.235,1141 5513,1142 10836,1143 16.531,1144 27.852,1145 40.2,1146 42.375,1147 42.058,1148 39.541,1149 39.576,1150 54.206,1151 4.076,1152 119.054,1153 37.01,1154 5.595,1155 5.662,1156 6.428,1157 5.395,1158 5.328,1159 7.716,1160 2.117,1161 19.386,1162 5.109,1163 14.748,1164 1.546,1165 1.63,1166 1.618,1167 1.521,1168 1.522,1169 2.085,1170 0.157,1171 4.579,1172 1.423,1173 4.104,1174 4.103,1175 4.39,1176 4.125,1177 7.438,1178 4.077,1179 3.925,1180 3.948,1181 3.913,1182 3.871,1183 7.428,1184 3.865,1185 3.544,1186 3.567,1187 3.873,1188 3.454,1189 5.068,1190 3.433,1191 3.376,1192 3.416,1193 3.417,1194 3.187,1195 4.883,1196 3.197,1197 3.121,1198 3.187,1199 3.329,1200 2.929,1201 4.716,1202 2.919,1203 2.979,1204 3.01,1205 3.267,1206 2.887,1207 4.524,1208 2.879,1209 2.883,1210 2.925,1211 2.887,1212 2.735,1213 4.426,1214 2.715,1215 2.854,1216 2.912,1217 2.822,1218 2.676,1219 4.004,1220 2.68,1221 0.183,1222 0.141,1223 0.27,1224 0.164,1225 0.128,1226 4.751,1227 0.181,1228 3.662,1229 0.041,1230 7.014,1231 0.46,1232 4.265,1233 0.12,1234 3.328,1235 4.716,1236 1.058,1237 11.963,1238 3.109,1239 1.937,1240 1.921,1241 2.044,1242 2.021,1243 1.155,1244 2.027,1245 1.898,1246 1.887,1247 1.914,1248 1.934,1249 1.129,1250 1.95,1251 1.567,1252 1.565,1253 1.6,1254 1.723,1255 0.741,1256 1.71,1257 1.294,1258 1.255,1259 1.516,1260 1.542,1261 0.614,1262 1.528,1263 1.047,1264 0.991,1265 1.281,1266 1.324,1267 0.231,1268 1.341,1269 0.907,1270 0.902,1271 1.181,1272 1.062,1273 0.218,1274 1.107,1275 0.886,1276 0.821,1277 1.007,1278 1.06,1279 0.065,1280 1.07,1281 0.82,1282 0.774,1283 0.839,1284 0.913,1286 0.972,1287 3.97,1289 5.323,1290 2.398,1291 6.866,1292 4.844,1293 8.497,1294 7.066,1295 10.177,1297 1.932,1298 12.334,1301 5.445,1305 2.746,1314 26.475,1315 67.611,1316 137.588,1317 155.853,1318 171.362,1319 171.362,1320 171.362,1321 53.362,1322 7.036,1323 72.19,1324 100.43,1325 17,1326 12.579,1327 4.248,1328 3.459,1329 39.008,1330 73,1331 90,1332 0.259,1333 174.691,1334 297.63,1335 418.007,1336 9417,1337 5.6,1338 17.43,1339 0.726,1340 0.619,1341 18.784,1342 14.85,1343 11.38,1344 0.438,1345 0.328,1346 7.043,1347 10.157,1348 6.697,1349 5.537,1350 12.366,1351 8.538,1352 10.792,1353 0.284,1354 0.186,1355 12.111,1356 7.062,1357 9.027,1358 0.177,1359 0.108,1360 10.907,1361 5.496,1362 7.14,1363 0.107,1364 0.057,1365 8.628,1366 3.8,1367 5.943,1368 0.068,1369 0.032,1370 7.485,1371 2.808,1372 0.392,1373 80.564,1374 0.246,1375 22.899,1376 0.755,1377 128,1378 412.383,1379 192.171,1380 484.316,1381 631.46,1382 446,1383 153,1384 393.84,1385 215.165,1386 437.92,1387 646.42,1388 411,1389 5.3}
{0 CHEMBL1965351,1 1.556,2 12.258,3 4.32,4 18.666,5 123.339,6 7.343,7 0.529,8 4.144,9 4.269,10 3.707,11 3.633,12 5.228,13 3.626,14 4.673,15 4.856,16 4.001,17 3.976,18 5.72,19 3.945,20 4.864,21 5.085,22 3.983,23 4.074,24 5.817,25 4.005,26 4.859,27 5.108,28 3.9,29 4.001,30 5.795,31 3.908,32 4.809,33 5.052,34 3.895,35 3.918,36 5.78,37 3.855,38 4.76,39 4.993,40 3.904,41 3.857,42 5.751,43 3.83,44 4.728,45 4.951,46 3.895,47 3.885,48 5.763,49 3.855,50 4.75,51 4.985,52 3.893,53 3.98,54 5.698,55 3.905,56 0.043,57 0.873,58 11.935,59 4.883,60 9.32,61 6.596,62 0.403,63 1.33,64 22.986,65 7.678,66 32.207,67 10.66,68 0.399,69 1.536,70 28.907,71 9.095,72 35.844,73 13.284,74 0.463,75 1.485,76 29.404,77 9.245,78 39.477,79 13.967,80 0.442,81 1.391,82 28.264,83 8.206,84 42.308,85 12.338,86 0.431,87 1.339,88 27.067,89 6.988,90 39.458,91 10.461,92 0.639,93 1.346,94 25.952,95 6.149,96 44.565,97 9.504,98 0.314,99 1.381,100 25.734,101 8.554,102 33.687,103 12.661,104 2,105 44,106 0.254,107 0.581,108 0.773,109 0.864,110 0.869,111 0.869,112 3.471,113 0.914,114 -5.16,115 -5.06,116 -4.73,119 40.4,120 1,121 1,125 5,142 8,143 2,145 1,146 1,147 2,150 1,155 1,168 1,172 9,174 4,175 8,178 1,180 1,183 10,187 2,188 4,193 1,196 6,199 3,200 6,203 3,205 2,208 2,212 4,213 5,218 2,221 1,224 2,225 6,230 3,233 3,237 2,238 8,241 1,246 2,249 2,250 12,253 1,255 1,258 3,263 1,264 9,269 1,272 2,276 1899,277 21.499,278 21.499,279 21.499,280 21.499,281 21.499,282 19.118,283 25.518,284 13.341,285 22.166,286 16.887,287 16.887,288 16.887,289 16.887,290 16.887,291 13.346,292 31.733,293 6.456,294 17.945,295 4.277,296 2.269,297 1.092,298 0.54,299 0.504,300 0.504,301 4.175,305 1,306 1,307 822,308 3.082,312 447.77,319 2.025,320 21.747,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 67,332 380,333 4.267,334 3.194,335 6.21,336 3.876,337 2.956,338 3.881,339 0.86,340 9.367,341 2.722,342 4.066,343 2.866,344 5.524,345 3.651,346 2.655,347 3.684,348 0.86,349 7.464,350 2.644,351 3.897,352 2.769,353 5.495,354 3.493,355 2.536,356 3.444,357 0.8,358 7.396,359 2.436,360 3.675,361 2.698,362 5.339,363 3.391,364 2.476,365 2.882,367 6.964,368 2.258,369 3.45,370 2.453,371 5.015,372 3.051,373 2.13,374 2.716,376 6.043,377 1.997,378 3.327,379 2.281,380 4.748,381 2.947,382 1.976,383 2.583,385 5.311,386 1.868,387 2.941,388 2.178,389 4.378,390 2.651,391 1.75,392 2.106,394 4.31,395 1.574,396 2.898,397 1.688,398 3.677,399 2.519,400 1.54,401 1.95,403 3.227,404 1.503,405 2.755,406 1.544,407 3.516,408 2.237,409 1.254,410 1.816,412 2.726,413 1.232,414 2.561,415 1.411,416 3.491,417 2.058,418 1.136,419 1.5,421 2.626,422 1.041,423 2.5,424 1.274,425 3.392,426 1.961,427 1,428 1.488,430 2.321,431 0.958,432 2.237,433 1.256,434 3.317,435 1.952,436 1,437 1.212,439 2.241,440 0.946,441 2.18,442 1.151,443 3.247,444 1.942,445 1,446 1.144,448 2.136,449 0.935,450 2,451 1,452 3.247,453 1.905,454 1,455 1,457 2.136,458 0.898,459 1.323,460 0.289,461 2.765,462 0.96,468 14.567,469 0.47,470 0.499,471 0.016,472 41.75,473 1.347,474 21,475 0.677,476 20.75,477 0.669,478 24.036,479 0.775,480 33.433,481 0.587,482 30.441,483 0.982,484 8.48,485 0.274,486 6.779,487 0.219,488 0.034,490 0.233,496 0.863,497 1.434,498 0.786,499 1.209,500 0.807,501 1.021,502 1.224,503 1.063,504 0.979,505 0.971,506 0.989,507 0.952,508 1.208,509 1.127,510 1.079,511 1.026,512 1.176,513 1.031,514 0.738,515 1.045,516 0.972,517 1.058,518 0.958,519 1.044,520 1.136,521 1.083,522 0.978,523 0.989,524 1.16,525 0.958,526 1.675,527 1.086,528 1.045,529 0.863,530 1.371,531 0.851,532 1.652,533 0.93,534 1.206,535 0.718,536 1.569,537 0.841,538 0.791,539 1.033,540 0.895,541 0.976,542 0.81,543 0.949,544 5,545 0.087,546 1.778,547 1.313,548 0.938,549 0.833,550 0.242,551 0.257,552 0.303,553 0.19,554 14406,555 35522,556 2.143,557 45.6,558 3,559 18,561 2,562 1,563 2,567 1.74,568 2.09,569 3.601,570 -0.329,572 1,577 88.712,578 1.556,579 3.564,580 4.741,581 5.293,582 5.328,583 5.328,584 3.087,585 4.567,586 4.922,587 3.801,588 1767.58,589 8.617,590 26747.6,592 1,595 332.475,596 0.964,597 4.922,598 0.147,599 0.002,600 0.04,601 0.031,602 0.025,603 0.023,604 0.006,605 0.007,606 0.008,607 0.005,608 0.295,609 0.17,610 1,611 0.32,612 163.576,613 0.027,614 -0.222,615 0.077,616 -0.134,617 0.027,618 -0.039,619 0.032,620 0.039,621 -0.018,622 0.017,623 0.085,624 -0.012,625 -0.113,626 -0.083,627 -0.104,628 -0.058,629 -0.153,630 -0.078,631 0.185,632 -0.032,633 0.01,634 -0.104,635 0.057,636 -0.079,637 0.048,638 -0.076,639 0.035,640 -0.06,642 -0.021,643 -0.204,644 -0.053,645 -0.003,646 0.027,647 -0.09,648 0.042,649 -0.161,650 0.181,651 -0.175,652 0.146,653 -0.22,654 0.019,655 0.062,656 0.001,657 0.064,658 0.008,659 0.136,660 0.032,661 1.354,662 2.35,663 0.774,664 37.557,665 1.002,666 1.133,667 3.933,668 15.467,669 0.659,670 3.555,671 3.807,672 4.007,673 4.234,674 4.431,675 4.394,676 4.489,677 4.605,678 4.718,679 4.844,680 7.652,681 0.629,682 418.55,683 3.555,684 5.056,685 5.866,686 6.703,687 7.526,688 8.368,689 9.197,690 10.043,691 10.876,692 11.725,693 10.5,698 1,699 1,702 1,703 3,709 9,710 3,714 6,716 18,730 1,733 1,735 57,737 19,738 1,739 34,741 60,742 23,743 15,744 2,745 4,746 1,748 4,749 4,751 1,754 1,760 1,762 16,763 7,767 1,774 1,775 1,780 1,783 26,784 8,785 1,786 8,792 6,797 1,798 2,809 1,810 1,816 4,842 1,843 4,847 1,851 31,858 6,860 1,861 2,864 1,874 3.5,878 1,879 1,881 14.833,882 10.417,883 6.944,884 3.385,886 3.332,887 1.445,888 0.974,889 7.429,890 10.828,891 3.807,892 4.324,893 4.818,894 5.338,895 5.818,896 5.848,897 6.098,898 6.405,899 6.737,900 7.188,901 1,902 42,903 11.41,905 4.655,906 7.581,907 22.043,909 17.395,911 2.081,912 64.5,915 1,916 294.278,917 141.423,918 88.032,920 22,923 141.423,924 316.277,925 88.032,926 8.825,927 20.523,928 75.81,929 111.834,930 48.963,931 9.042,932 270.735,934 294.278,935 229.455,936 22,939 294.278,940 11,941 11,943 62.201,944 89.961,945 77.292,947 294.278,948 110.032,949 141.423,952 294.278,953 38.693,954 105.854,955 17.888,956 89.019,957 294.278,958 110.032,959 141.423,961 0.561,962 0.312,963 0.171,964 0.093,965 19,966 7,967 0.133,968 8,970 1,971 4.47,972 262.974,974 24,975 147.58,981 21.228,982 10.849,983 6.481,985 110.032,986 17.62,987 13.382,991 4.847,993 17.888,994 545.732,995 44,1002 1.769,1003 4.334,1007 57.101,1008 64.561,1009 0.267,1010 0.611,1011 0.813,1012 0.907,1013 0.914,1014 0.914,1015 5.001,1016 1.54,1017 5.79,1018 4.31,1019 4.489,1020 5.011,1021 1.593,1022 6.485,1023 4.375,1024 6.15,1025 1.254,1026 7.263,1027 3.227,1028 3.761,1029 4.477,1030 0.325,1031 7.081,1032 3.594,1033 7.403,1034 1.136,1035 8.831,1036 2.726,1037 5.964,1038 7.073,1039 1.294,1040 10.163,1041 5.741,1042 8.687,1043 1,1044 10.456,1045 2.626,1046 6.066,1047 7.349,1048 0.268,1049 11.617,1050 5.784,1051 10.002,1052 1,1053 12.12,1054 2.321,1055 7.68,1056 9.391,1057 1.061,1058 14.16,1059 7.349,1060 11.338,1061 1,1062 13.811,1063 2.241,1064 8.211,1065 10.084,1066 0.188,1067 16.004,1068 7.816,1069 12.691,1070 1,1071 15.522,1072 2.136,1073 9.538,1074 11.843,1075 0.861,1076 18.342,1077 9.094,1078 2.956,1080 17.247,1081 2.136,1082 10.306,1083 12.777,1084 0.125,1085 20.38,1086 9.792,1087 2.655,1088 9.367,1089 18.985,1091 11.488,1092 14.372,1093 0.69,1094 22.64,1095 10.923,1096 2.536,1097 7.464,1098 20.732,1099 3.881,1100 12.387,1101 15.455,1102 0.082,1103 24.774,1104 11.748,1105 2.476,1106 7.396,1107 22.488,1108 3.684,1109 13.499,1110 16.952,1111 0.544,1112 27.009,1113 12.804,1114 2.13,1115 6.964,1116 24.252,1117 3.444,1118 14.472,1119 18.127,1120 0.054,1121 29.191,1122 13.699,1123 1.976,1124 6.043,1125 26.022,1126 2.882,1127 15.552,1128 19.563,1129 0.424,1130 31.42,1131 14.717,1132 1.75,1133 5.311,1134 27.798,1135 2.716,1136 16.566,1137 20.798,1138 0.035,1139 33.627,1140 15.652,1141 13556,1142 21467,1143 23.633,1144 37.557,1145 49.332,1146 49.659,1147 49.288,1148 48.862,1149 48.816,1150 62.811,1151 5.04,1152 128.537,1153 46.024,1154 5.267,1155 5.194,1156 6.011,1157 4.979,1158 4.956,1159 6.881,1160 1.72,1161 15.631,1162 4.722,1163 7.772,1164 1.451,1165 1.461,1166 1.45,1167 1.437,1168 1.436,1169 1.847,1170 0.148,1171 3.781,1172 1.354,1173 3.972,1174 4.017,1175 3.919,1176 3.883,1177 5.077,1178 3.88,1179 3.901,1180 3.937,1181 3.841,1182 3.784,1183 4.882,1184 3.791,1185 3.863,1186 3.911,1187 3.801,1188 3.702,1189 4.827,1190 3.729,1191 3.669,1192 3.723,1193 3.565,1194 3.439,1195 4.619,1196 3.461,1197 3.421,1198 3.482,1199 3.304,1200 3.24,1201 4.558,1202 3.237,1203 3.321,1204 3.394,1205 3.206,1206 3.145,1207 4.296,1208 3.15,1209 3.118,1210 3.207,1211 2.936,1212 2.941,1213 3.974,1214 2.926,1215 3.111,1216 3.206,1217 2.866,1218 2.936,1219 3.871,1220 2.91,1221 0.126,1222 0.094,1223 0.183,1224 0.114,1225 0.087,1226 4.267,1227 0.114,1228 3.194,1229 0.025,1230 6.21,1231 0.276,1232 3.876,1233 0.08,1234 2.956,1235 3.881,1236 0.86,1237 9.367,1238 2.722,1239 1.928,1240 1.9,1241 2.047,1242 2.046,1243 1.207,1244 2.032,1245 1.857,1246 1.818,1247 1.989,1248 2.002,1249 1.144,1250 2.006,1251 1.801,1252 1.751,1253 1.945,1254 1.981,1255 1.142,1256 1.981,1257 1.586,1258 1.533,1259 1.743,1260 1.836,1261 0.825,1262 1.813,1263 1.395,1264 1.337,1265 1.649,1266 1.615,1267 0.814,1268 1.625,1269 1.29,1270 1.222,1271 1.566,1272 1.509,1273 0.755,1274 1.522,1275 1.153,1276 1.064,1277 1.513,1278 1.376,1279 0.629,1280 1.429,1281 1.108,1282 1.03,1283 1.347,1284 1.356,1285 0.332,1286 1.372,1287 4.234,1289 5.501,1291 6.959,1293 8.502,1295 10.087,1297 2.054,1303 4.019,1305 3.009,1306 11.307,1309 2.159,1314 35.826,1315 88.712,1316 203.142,1317 270.21,1318 301.72,1319 303.72,1320 303.72,1321 40.901,1322 7.496,1323 84.76,1324 84.76,1325 24,1326 12.288,1327 4.322,1328 3.459,1329 49.237,1330 139,1331 141,1332 0.164,1333 221.305,1334 381.5,1335 531.744,1336 19278,1338 21.305,1339 0.687,1340 0.567,1341 21.305,1342 17.569,1343 15.259,1344 0.449,1345 0.305,1346 10.185,1347 14.551,1348 9.963,1349 8.258,1350 15.259,1351 10.364,1352 13.101,1353 0.298,1354 0.164,1355 13.101,1356 7.197,1357 10.475,1358 0.194,1359 0.088,1360 10.475,1361 4.778,1362 8.766,1363 0.129,1364 0.047,1365 8.766,1366 3.205,1367 6.972,1368 0.084,1369 0.024,1370 6.972,1371 2.032,1372 0.261,1373 96.263,1374 0.206,1375 29.657,1376 0.44,1377 156,1378 468.029,1379 174.161,1380 447.34,1381 617.32,1382 424,1383 176,1384 456.106,1385 194.192,1386 458.89,1387 663.09,1388 431,1389 5.1}
{0 CHEMBL1965423,1 1.612,2 10,3 5.764,4 33.223,5 115.15,6 8.276,7 0.758,8 4.016,9 4.134,10 3.725,11 3.633,12 5.145,13 3.597,14 4.534,15 4.695,16 4.146,17 4.038,18 5.637,19 3.994,20 4.742,21 4.938,22 4.116,23 4.132,24 5.811,25 4.064,26 4.836,27 5.074,28 4.084,29 4.15,30 5.816,31 4.071,32 4.769,33 4.957,34 4.189,35 4.225,36 5.812,37 4.134,38 4.887,39 5.095,40 4.137,41 4.259,42 5.915,43 4.124,44 4.83,45 5.074,46 4.043,47 4.116,48 5.786,49 3.988,50 4.653,51 4.881,52 3.972,53 3.921,54 5.731,55 3.823,56 0.031,57 0.837,58 8.941,59 4.321,60 8.444,61 5.198,62 0.2,63 1.393,64 18.806,65 7.501,66 19.168,67 9.368,68 0.205,69 1.636,70 23.665,71 9.413,72 31.434,73 11.685,74 0.347,75 1.694,76 27.91,77 9.901,78 41.52,79 12.884,80 0.194,81 1.629,82 23.171,83 9.704,84 24.199,85 12.29,86 0.353,87 1.83,88 31.544,89 11.972,90 43.213,91 14.624,92 0.314,93 1.68,94 32.338,95 12.031,96 30.765,97 15.55,98 0.244,99 1.506,100 25.086,101 9.065,102 30.221,103 11.281,104 19,105 49,106 0.267,107 0.644,108 0.769,109 0.821,110 0.831,111 0.831,112 3.409,113 0.942,114 -5.71,115 -5.58,116 -5.2,119 44.9,120 2,122 1,125 1,142 7,143 2,144 1,146 2,151 2,152 2,162 2,163 1,164 1,165 1,172 9,174 2,175 7,177 2,178 2,183 7,188 12,196 4,200 10,205 3,208 7,210 3,212 1,213 5,218 4,221 15,223 4,224 2,225 1,233 14,237 1,238 5,240 1,241 1,246 4,250 8,252 1,253 1,255 1,258 1,260 1,264 4,269 3,272 5,274 3,276 1331,277 19.602,278 19.602,279 19.602,280 19.602,281 19.602,282 16.742,283 7.489,284 11.275,285 20.211,286 16.318,287 16.318,288 16.318,289 16.318,290 16.318,291 11.954,292 4.198,293 5.382,294 17.389,295 4.003,296 1.729,297 0.978,298 0.658,299 0.602,300 0.602,301 4.116,306 1,307 641,308 3.082,311 180.895,312 138.802,314 99.565,315 101.724,319 1.379,320 23.225,323 0.75,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.84,331 62,332 290,333 4.755,334 3.349,335 7.025,336 4.287,337 3.34,338 4.71,340 12.074,341 3.179,342 4.604,343 3.221,344 6.728,345 4.103,346 3.168,347 4.548,349 10.967,350 2.969,351 4.062,352 2.907,353 5.998,354 3.602,355 2.644,356 3.698,358 8.453,359 2.536,360 3.85,361 2.511,362 5.744,363 3.398,364 2.46,365 3.363,367 7.745,368 2.298,369 3.603,370 2.467,371 5.459,372 3.198,373 2.25,374 3.002,376 6.715,377 2.13,378 3.453,379 2.224,380 5.041,381 3.124,382 2.165,383 2.784,385 6.033,386 2.043,387 3.162,388 1.987,389 4.822,390 2.869,391 1.92,392 2.389,394 5.202,395 1.815,396 3.011,397 1.67,398 4.602,399 2.575,400 1.632,401 2.098,403 4.646,404 1.535,405 2.903,406 1.475,407 4.521,408 2.349,409 1.414,410 2.079,412 4.226,413 1.314,414 2.872,415 1.403,416 4.406,417 2.292,418 1.39,419 2.046,421 3.963,422 1.235,423 2.5,424 1,425 3.531,426 2,427 1,428 1.5,430 2.275,431 1,432 2.438,433 0.985,434 3.443,435 1.842,436 0.953,437 1.409,439 2.253,440 0.83,441 2.189,442 0.899,443 3.414,444 1.766,445 0.807,446 1.077,448 2.083,449 0.771,450 1.723,451 0.408,452 3.303,453 1.204,454 0.31,455 0.42,457 0.857,458 0.273,459 1.221,460 0.256,461 2.707,462 0.839,463 -0.085,464 -0.109,466 -0.224,467 -0.079,468 14.119,469 0.487,470 0.836,471 0.029,472 40,473 1.379,474 20.5,475 0.707,476 19.5,477 0.672,478 24.81,479 0.856,480 29.681,481 0.606,482 29.308,483 1.011,484 7.441,485 0.257,486 6.567,487 0.226,488 0.119,490 0.411,494 1,496 0.729,497 1.098,498 0.7,499 0.879,500 0.676,501 0.836,502 0.62,503 0.98,504 0.745,505 0.931,506 0.488,507 0.824,508 1.025,509 1.092,510 0.864,511 0.931,512 0.875,513 0.953,514 1.017,515 0.767,516 0.758,517 0.64,518 0.787,519 0.753,520 0.666,521 0.872,522 0.861,523 0.898,524 0.501,525 0.979,526 0.706,527 0.876,528 1.249,529 1.165,530 0.67,531 1.174,532 0.529,533 0.899,534 0.896,535 1.023,536 0.574,537 0.948,538 0.932,539 1.168,540 0.841,541 1.047,542 0.852,543 1.009,544 6,545 0.169,546 3.556,547 2.521,548 1.926,549 1.126,550 0.617,551 0.718,552 0.429,553 0.29,554 10126,555 27443,556 2.15,557 40.8,558 6,559 9,560 2,562 2,564 1,567 1.726,568 2,569 3.287,570 0.228,577 78.965,578 1.612,579 3.886,580 4.637,581 4.956,582 5.012,583 5.012,584 2.715,585 4.651,586 4.828,587 3.422,588 1389.41,589 8.448,590 17994,595 275.121,596 1.44,597 4.786,598 0.182,599 0.01,600 0.073,601 0.053,602 0.041,603 0.023,604 0.014,605 0.018,606 0.012,607 0.011,608 0.435,609 0.17,610 0.75,611 0.897,612 144.105,613 -0.053,614 -0.106,615 0.061,616 0.022,617 -0.097,618 0.033,619 0.154,620 -0.001,621 0.134,622 0.01,623 0.113,624 0.084,625 -0.103,626 -0.106,627 -0.027,628 -0.032,629 -0.023,630 -0.024,631 -0.146,632 0.144,633 0.071,634 0.22,635 -0.057,636 0.194,637 -0.059,638 0.006,639 -0.019,640 0.016,641 -0.018,642 -0.045,643 -0.006,644 0.025,645 -0.204,646 -0.137,647 -0.062,648 -0.201,649 0.202,650 -0.041,651 0.146,652 0.008,653 0.088,654 0.093,655 0.056,656 -0.201,657 0.139,658 -0.082,659 0.101,660 -0.034,661 1.925,662 5.451,663 0.793,664 24.644,665 1.003,666 1.124,667 4.481,668 20.082,669 0.708,670 3.526,671 3.912,672 4.248,673 4.615,674 4.875,675 5.043,676 5.273,677 5.464,678 5.602,679 5.704,680 5.953,681 0.671,682 405.54,683 3.526,684 5.106,685 5.994,686 6.915,687 7.828,688 8.755,689 9.678,690 10.609,691 11.538,692 12.47,693 10.2,697 1,701 2,703 2,708 3,709 9,710 2,713 1,714 6,715 1,716 25,727 1,734 1,735 49,737 25,738 2,739 33,741 53,742 22,743 18,744 5,745 7,748 5,749 7,754 2,762 18,763 4,764 1,781 1,783 20,784 4,785 2,786 7,787 1,789 2,792 5,797 0.6,815 3,816 2,818 1,819 1,843 3,845 1,847 2,849 1,851 29,852 1,858 1,863 1,868 1,873 1,881 14.5,882 9.526,883 6.139,884 2.977,886 4.926,887 1.597,888 1.058,889 4.488,890 13.181,891 3.839,892 4.562,893 5.271,894 5.993,895 6.567,896 7.062,897 7.635,898 8.149,899 8.616,900 9.059,901 0.857,902 48,903 10.71,905 4.685,906 7.695,907 20.593,909 17.526,911 2.195,912 63.667,916 211.88,917 161.257,918 69.654,921 14.96,922 31.278,923 129.979,924 211.88,925 84.614,926 17.65,927 2.106,928 115.927,929 33.571,930 25.478,931 43.403,932 219.615,934 211.88,935 199.633,936 14.96,937 31.278,939 215.069,940 11.771,943 29.742,944 136.32,945 33.571,946 31.278,947 226.84,948 69.654,949 161.257,952 211.88,953 60.576,954 103.866,956 81.428,957 211.88,958 84.614,959 161.257,961 0.594,962 0.347,963 0.201,964 0.117,965 27,966 12,967 0.075,968 4,969 2,970 1.174,971 3.949,972 280.692,973 0.174,974 23,975 134.881,977 1,981 18.469,982 7.047,983 3.167,984 2.778,985 81.428,986 16.66,987 9.327,990 1.574,991 3.981,992 2.062,993 32.897,994 457.751,995 45.5,1007 49.167,1008 55.073,1009 0.287,1010 0.692,1011 0.826,1012 0.883,1013 0.893,1014 0.893,1015 5.095,1016 1.632,1017 6.009,1018 5.202,1019 4.595,1020 5.25,1022 6.891,1023 4.479,1024 6.352,1025 1.414,1026 7.607,1027 4.646,1028 4.29,1029 5.207,1031 7.91,1032 4.116,1033 7.695,1034 1.39,1035 9.305,1036 4.226,1037 6.252,1038 7.605,1040 11.069,1041 6.032,1042 9.079,1043 1,1044 11.062,1045 3.963,1046 6.77,1047 8.425,1049 12.955,1050 6.483,1051 10.497,1052 0.953,1053 12.859,1054 2.275,1055 8.226,1056 10.29,1058 15.642,1059 7.902,1060 11.941,1061 0.807,1062 14.683,1063 2.253,1064 9.115,1065 11.505,1067 17.88,1068 8.722,1069 13.406,1070 0.31,1071 16.529,1072 2.083,1073 10.387,1074 13.164,1076 20.415,1077 9.955,1078 3.34,1079 -0.085,1080 18.392,1081 0.857,1082 11.443,1083 14.558,1085 22.793,1086 10.947,1087 3.168,1088 12.074,1089 20.268,1090 -0.224,1091 12.651,1092 16.137,1094 25.28,1095 12.111,1096 2.644,1097 10.967,1098 22.155,1099 4.71,1100 13.78,1101 17.61,1103 27.713,1104 13.181,1105 2.46,1106 8.453,1107 24.05,1108 4.548,1109 14.969,1110 19.16,1112 30.187,1113 14.322,1114 2.25,1115 7.745,1116 25.953,1117 3.698,1118 16.13,1119 20.667,1121 32.643,1122 15.428,1123 2.165,1124 6.715,1125 27.861,1126 3.363,1127 17.315,1128 22.207,1130 35.115,1131 16.564,1132 1.92,1133 6.033,1134 29.774,1135 3.002,1136 18.491,1137 23.73,1139 37.582,1140 17.687,1141 9509,1142 15853,1143 22.194,1144 34.705,1145 51.641,1146 51.422,1147 52.92,1148 50.917,1149 50.907,1150 70.249,1152 154.988,1153 47.857,1154 5.525,1155 5.349,1156 6.513,1157 5.432,1158 5.34,1159 7.71,1161 19.428,1162 5.179,1163 14.238,1164 1.565,1165 1.558,1166 1.604,1167 1.543,1168 1.543,1169 2.129,1171 4.697,1172 1.45,1173 4.199,1174 4.235,1175 4.362,1176 4.104,1177 8.201,1178 4.102,1179 4.042,1180 4.085,1181 4.081,1182 3.926,1183 5.219,1184 3.927,1185 3.847,1186 3.875,1187 3.847,1188 3.786,1189 5.033,1190 3.766,1191 3.661,1192 3.724,1193 3.552,1194 3.547,1195 4.713,1196 3.528,1197 3.396,1198 3.458,1199 3.398,1200 3.271,1201 4.592,1202 3.259,1203 3.156,1204 3.197,1205 3.168,1206 3.041,1207 4.241,1208 3.038,1209 2.941,1210 3.037,1211 2.852,1212 2.78,1213 4.105,1214 2.781,1215 2.874,1216 3.009,1217 2.764,1218 2.735,1219 4.023,1220 2.715,1221 0.144,1222 0.101,1223 0.213,1224 0.13,1225 0.101,1226 4.755,1227 0.143,1228 3.349,1230 7.025,1231 0.366,1232 4.287,1233 0.096,1234 3.34,1235 4.71,1237 12.074,1238 3.179,1239 1.976,1240 1.952,1241 2.055,1242 2.069,1243 1.288,1244 2.065,1245 1.876,1246 1.851,1247 1.989,1248 1.975,1249 1.164,1250 1.979,1251 1.725,1252 1.662,1253 1.936,1254 1.899,1255 1.054,1256 1.911,1257 1.515,1258 1.465,1259 1.616,1260 1.72,1261 0.75,1262 1.691,1263 1.376,1264 1.364,1265 1.555,1266 1.661,1267 0.623,1268 1.644,1269 1.361,1270 1.295,1271 1.417,1272 1.445,1273 0.541,1274 1.464,1275 1.172,1276 1.142,1277 1.282,1278 1.266,1279 0.469,1280 1.308,1281 0.934,1282 0.829,1283 1.224,1284 1.239,1285 0.363,1286 1.299,1287 4.205,1289 5.572,1290 3.434,1291 7.12,1292 5.861,1293 8.759,1294 8.003,1295 10.451,1297 4.321,1299 13.451,1301 6.18,1303 0.802,1308 0.451,1314 32.892,1315 78.965,1316 190.411,1317 227.205,1318 242.856,1319 245.611,1320 245.611,1321 41.023,1322 8.254,1323 61.14,1324 89.38,1325 27,1326 12.971,1327 4.7,1328 3.755,1329 39.327,1330 101,1331 114,1332 0.19,1333 201.862,1334 326.04,1335 484.302,1336 44335,1337 2,1338 20.121,1339 0.694,1340 0.584,1341 19.604,1342 16.95,1343 14.008,1344 0.424,1345 0.314,1346 9.45,1347 13.094,1348 9.098,1349 7.574,1350 14.068,1351 10.366,1352 13.355,1353 0.273,1354 0.172,1355 13.317,1356 8.422,1357 11.28,1358 0.163,1359 0.083,1360 11.493,1361 5.735,1362 10.103,1363 0.101,1364 0.044,1365 10.659,1366 4.43,1367 8.552,1368 0.066,1369 0.024,1370 8.937,1371 3.111,1372 0.288,1373 91.636,1374 0.212,1375 26.851,1376 0.55,1377 164,1378 470.864,1379 202.077,1380 462.445,1381 648.51,1382 434,1383 200,1384 486.607,1385 234.106,1386 503.349,1387 749.58,1388 475,1389 5.1}
{0 CHEMBL1965495,1 1.432,2 5.889,3 2.199,4 4.834,5 67.892,6 8.367,7 0.8,8 3.457,9 3.571,10 3.138,11 3.099,12 4.715,13 3.088,14 3.904,15 4.053,16 3.471,17 3.466,18 5.045,19 3.44,20 4.067,21 4.236,22 3.525,23 3.564,24 5.213,25 3.521,26 4.133,27 4.331,28 3.502,29 3.557,30 5.31,31 3.507,32 4.071,33 4.246,34 3.45,35 3.504,36 5.329,37 3.454,38 4.091,39 4.318,40 3.159,41 3.302,42 5.397,43 3.206,44 3.816,45 4.142,46 2.219,47 2.705,48 4.866,49 2.508,50 2.894,51 3.273,52 0.629,53 1.641,54 3.541,55 1.319,56 0.037,57 0.431,58 4.181,59 2.091,60 6.656,61 2.526,62 0.059,63 0.664,64 7.597,65 3.51,66 9.811,67 4.406,68 0.074,69 0.772,70 9.518,71 4.259,72 12.386,73 5.423,74 0.113,75 0.822,76 11.229,77 4.548,78 23.771,79 5.855,80 0.052,81 0.777,82 9.545,83 4.13,84 14.766,85 5.188,86 0.144,87 0.797,88 11.278,89 4.193,90 31.978,91 5.38,92 0.165,93 0.557,94 11.781,95 3.563,96 38.245,97 4.913,98 0.071,99 0.194,100 5.458,101 1.68,102 12.732,103 2.485,104 6,105 28,106 0.269,107 0.676,108 0.748,109 0.799,110 0.818,111 0.818,112 2.964,113 0.84,114 -3.44,115 -3.42,116 -3.27,119 50,120 1,142 5,143 4,145 1,149 1,152 1,158 1,168 1,172 9,174 1,175 4,180 2,183 12,188 4,191 1,193 1,196 10,199 1,200 6,205 2,208 7,213 6,218 2,221 4,224 1,225 7,228 1,230 2,233 2,238 3,243 1,246 1,276 364,277 12.491,278 12.491,279 12.491,280 12.491,281 12.491,282 10.509,283 5.75,284 7.369,285 12.635,286 9.809,287 9.809,288 9.809,289 9.809,290 9.809,291 6.808,292 3.815,293 3.384,294 10.031,295 3.376,296 1.21,297 0.826,298 0.554,299 0.456,300 0.456,301 3.64,305 1,306 1,307 228,308 2,311 33.457,312 84.91,315 61.62,319 0.815,320 11.983,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 38,332 106,333 4.726,334 4.073,335 7.027,336 4.281,337 3.295,338 4.683,339 2.035,340 12.04,341 3.251,342 4.06,343 3.286,344 6.05,345 3.609,346 2.63,347 3.649,349 8.566,350 2.573,351 3.758,352 2.661,353 5.233,354 3.208,355 2.219,356 3.164,358 6.302,359 2.194,360 3.323,361 2.233,362 4.953,363 2.812,364 1.87,365 2.682,367 5.402,368 1.757,369 3.186,370 1.968,371 4.349,372 2.53,373 1.543,374 2.185,376 3.82,377 1.521,378 2.805,379 1.576,380 3.679,381 2.145,382 1.16,383 1.726,385 2.837,386 1.141,387 2.636,388 1.169,389 3.357,390 2,391 1,392 1.5,394 2.136,395 1,396 2.5,397 1,398 3.247,399 1.733,400 0.788,401 1.233,403 1.779,404 0.742,405 2.177,406 0.816,407 3.055,408 1.456,409 0.497,410 0.867,412 0.873,413 0.475,414 1.207,415 0.236,416 2.404,417 0.628,418 -0.335,419 -0.502,421 -0.69,422 -0.321,423 0.857,424 -0.267,425 2.294,426 0.46,427 -0.508,428 -0.68,430 -1.203,431 -0.492,432 0.565,433 -0.73,434 2.1,435 0.062,436 -0.929,437 -1.384,439 -2.3,440 -0.916,441 0.5,442 -0.936,443 2,445 -1,446 -1.5,448 -2.347,449 -1,450 0.258,451 -1,452 1.555,453 -0.178,454 -1.118,455 -1.592,457 -2.926,458 -1.051,459 -0.155,460 -1.242,461 1.444,462 -0.617,463 -1.586,464 -2.261,466 -4.08,467 -1.535,468 8.6,469 0.478,470 0.363,471 0.02,472 28.25,473 1.569,474 17,475 0.944,476 11.25,477 0.625,478 10.124,479 0.562,480 17.2,481 0.614,482 17.29,483 0.961,484 5.597,485 0.311,486 3.212,487 0.178,488 0.105,490 0.349,496 0.681,497 0.933,498 0.673,499 0.83,500 0.48,501 0.767,502 0.725,503 0.953,504 0.719,505 0.862,506 0.481,507 0.805,508 0.773,509 1.013,510 0.855,511 0.985,512 0.576,513 0.943,514 0.949,515 0.934,516 0.899,517 0.901,518 0.891,519 0.894,520 1.013,521 1.273,522 1.039,523 1.194,524 0.9,525 1.136,526 1.219,527 1.245,528 1.367,529 1.35,530 1.473,531 1.373,532 1.596,533 0.812,534 1.355,535 0.924,536 2.163,537 1.067,538 1.142,539 0.462,540 1.124,541 0.708,542 1.068,543 0.871,544 2.5,546 2,547 1.535,548 1.106,549 0.615,550 0.247,551 0.07,554 2437,555 7079,556 2.12,557 35.7,559 5,561 1,562 1,563 3,567 1.598,568 2,569 2.582,570 -0.28,572 1,574 1,577 40.084,578 1.432,579 3.598,580 3.982,581 4.253,582 4.352,583 4.352,584 1.891,585 3.948,586 4.144,587 2.683,588 410.541,589 7.086,590 3840.86,592 1,594 1,595 134.606,596 1.352,597 4.109,598 0.125,600 0.071,601 0.053,602 0.039,603 0.024,604 0.015,605 0.014,608 0.341,609 0.67,610 1,611 0.816,612 73.44,613 0.103,614 0.088,615 0.041,616 0.046,617 0.051,618 0.037,619 0.069,620 0.031,621 0.086,622 0.059,623 -0.004,624 0.071,625 0.039,626 -0.048,627 -0.001,628 -0.046,629 0.029,630 -0.033,631 -0.024,632 0.038,633 0.027,634 0.053,635 0.014,636 0.049,637 -0.114,638 -0.299,639 -0.17,640 -0.272,641 0.021,642 -0.238,643 -0.052,644 -0.252,645 -0.365,646 -0.419,647 -0.065,648 -0.433,649 -0.304,650 0.12,651 -0.074,652 0.137,653 -0.386,654 0.08,655 -0.054,656 0.344,657 0.341,658 0.499,659 -0.032,660 0.481,661 1.099,662 3.247,663 0.833,664 9.222,665 1.002,666 1.116,667 2.213,668 4.896,669 0.725,670 3.045,671 3.367,672 3.714,673 4.043,674 4.263,675 4.263,676 4.331,677 4.357,678 4.174,679 3.912,680 3.917,681 0.702,682 234.28,683 3.045,684 4.575,685 5.451,686 6.351,687 7.252,688 8.161,689 9.07,690 9.982,691 10.893,692 11.806,693 14.3,701 1,702 1,703 2,708 2,709 6,710 2,711 1,714 4,716 16,718 1,735 28,737 17,738 1,739 20,741 30,742 14,743 12,744 1,745 5,748 3,749 4,754 1,761 1,762 12,763 1,780 1,783 10,784 3,785 1,786 4,792 4,797 0.667,807 1,809 1,815 1,816 2,819 1,843 2,847 1,851 18,866 1,870 1,872 1,881 9,882 5.6,883 4.056,884 1.649,886 3.361,887 1.515,888 1.028,889 2.406,890 9.885,891 3.434,892 4.073,893 4.793,894 5.481,895 6.067,896 6.438,897 6.886,898 7.272,899 7.434,900 7.535,901 0.75,902 29,903 6.567,905 2.774,906 7.778,907 12.425,909 10.097,911 2.278,912 41,913 0.001,916 105.94,917 98.457,918 81.171,923 98.457,924 105.94,925 81.171,926 8.825,928 47.381,929 61.821,930 70.615,931 2.757,932 94.169,934 105.94,935 179.628,939 107.655,943 65.595,944 78.869,945 33.449,947 105.94,948 81.171,949 98.457,952 105.94,953 16.602,954 65.254,955 33.265,956 64.508,957 105.94,958 81.171,959 98.457,961 0.573,962 0.359,963 0.215,964 0.122,965 15,966 6,967 0.033,968 1,969 1,970 1.133,971 2.967,972 137.137,973 0.133,974 15,975 71.059,981 10.647,982 4.068,983 1.622,984 1.561,985 64.508,986 11.418,987 8.328,988 2.916,991 3.395,993 16.663,994 285.568,995 30,1007 28.058,1008 31.239,1009 0.298,1010 0.748,1011 0.828,1012 0.885,1013 0.905,1014 0.905,1015 4.654,1016 0.788,1017 5.434,1018 2.136,1019 4.043,1020 4.758,1021 2.228,1022 6.301,1023 4.001,1024 5.897,1025 0.497,1026 7.02,1027 1.779,1028 3.611,1029 4.559,1031 7.353,1032 3.563,1033 7.223,1034 -0.335,1035 8.717,1036 0.873,1037 5.666,1038 7.086,1039 3.563,1040 10.528,1041 5.593,1042 8.593,1043 -0.508,1044 10.482,1045 -0.69,1046 6.133,1047 7.82,1049 12.475,1050 6.056,1051 9.999,1052 -0.929,1053 12.292,1054 -1.203,1055 7.631,1056 9.744,1057 4.962,1058 15.173,1059 7.533,1060 11.433,1061 -1,1062 14.133,1063 -2.3,1064 8.506,1065 10.916,1067 17.459,1068 8.402,1069 12.89,1070 -1.118,1071 15.997,1072 -2.347,1073 9.795,1074 12.602,1075 6.378,1076 20.01,1077 9.675,1078 3.295,1079 -1.586,1080 17.879,1081 -2.926,1082 10.85,1083 13.978,1085 22.423,1086 10.721,1087 2.63,1088 12.04,1089 19.773,1090 -4.08,1091 12.066,1092 15.571,1093 7.797,1094 24.928,1095 11.923,1096 2.219,1097 8.566,1098 21.678,1099 4.683,1100 13.198,1101 17.04,1103 27.388,1104 13.044,1105 1.87,1106 6.302,1107 23.591,1108 3.649,1109 14.391,1110 18.598,1111 9.217,1112 29.88,1113 14.224,1114 1.543,1115 5.402,1116 25.51,1117 3.164,1118 15.555,1119 20.108,1121 32.356,1122 15.376,1123 1.16,1124 3.82,1125 27.434,1126 2.682,1127 16.742,1128 21.654,1129 10.638,1130 34.845,1131 16.551,1132 1,1133 2.837,1134 29.363,1135 2.185,1136 17.921,1137 23.182,1139 37.328,1140 17.716,1141 2421,1142 4215,1143 13.523,1144 20.307,1145 31.342,1146 32.68,1147 31.499,1148 29.998,1149 30.005,1150 43.378,1151 4.069,1152 87.508,1153 29.31,1154 5.368,1155 6.073,1156 6.829,1157 5.324,1158 5.295,1159 7.683,1160 4.069,1161 19.369,1162 5.251,1163 6.855,1164 1.567,1165 1.634,1166 1.575,1167 1.5,1168 1.5,1169 2.169,1170 0.203,1171 4.375,1172 1.465,1173 4.125,1174 4.163,1175 4.103,1176 4.03,1177 6.82,1178 4.041,1179 3.828,1180 3.868,1181 3.76,1182 3.737,1183 5.131,1184 3.738,1185 3.5,1186 3.556,1187 3.452,1188 3.347,1189 4.738,1190 3.365,1191 3.09,1192 3.179,1193 2.982,1194 2.867,1195 4.411,1196 2.881,1197 2.905,1198 2.962,1199 2.837,1200 2.789,1201 3.917,1202 2.789,1203 2.854,1204 2.925,1205 2.687,1206 2.735,1207 3.674,1208 2.715,1209 2.812,1210 2.918,1211 2.62,1212 2.512,1213 3.671,1214 2.534,1215 2.389,1216 2.468,1217 2.256,1218 2.194,1219 3.265,1220 2.208,1221 0.236,1222 0.204,1223 0.351,1224 0.214,1225 0.165,1226 4.726,1227 0.234,1228 4.073,1229 0.102,1230 7.027,1231 0.602,1232 4.281,1233 0.163,1234 3.295,1235 4.683,1236 2.035,1237 12.04,1238 3.251,1239 1.996,1240 1.978,1241 2.07,1242 2.063,1243 1.212,1244 2.065,1245 1.746,1246 1.715,1247 1.857,1248 1.849,1249 0.949,1250 1.855,1251 1.478,1252 1.402,1253 1.681,1254 1.766,1255 0.694,1256 1.737,1257 1.139,1258 1.086,1259 1.215,1260 1.37,1261 0.218,1262 1.342,1263 0.896,1264 0.839,1265 1.181,1266 1.124,1267 0.18,1268 1.125,1269 0.886,1270 0.821,1271 1.113,1272 1.062,1273 0.118,1274 1.107,1275 0.739,1276 0.62,1277 1.028,1278 1.012,1279 0.041,1280 1.029,1281 0.586,1282 0.513,1283 0.804,1284 0.803,1286 0.818,1287 3.714,1289 5.03,1290 2.398,1291 6.569,1292 4.727,1293 8.213,1294 6.823,1295 9.915,1297 1.935,1312 9.247,1313 2.199,1314 19.666,1315 40.084,1316 100.732,1317 111.487,1318 119.096,1319 121.851,1320 121.851,1321 20.801,1322 6.524,1323 65.36,1324 65.36,1325 17,1326 12.32,1327 4.17,1328 3.459,1329 25.373,1330 40,1331 42,1332 0.315,1333 123.714,1334 201.22,1335 293.621,1336 4778,1338 12.535,1339 0.696,1340 0.545,1341 12.535,1342 9.806,1343 8.809,1344 0.44,1345 0.28,1346 5.548,1347 8.566,1348 5.38,1349 4.501,1350 8.809,1351 5.602,1352 7.613,1353 0.272,1354 0.145,1355 7.613,1356 4.072,1357 6.81,1358 0.17,1359 0.074,1360 6.81,1361 2.946,1362 5.986,1363 0.107,1364 0.038,1365 5.986,1366 2.123,1367 4.96,1368 0.071,1369 0.02,1370 4.96,1371 1.421,1372 0.455,1373 54.569,1374 0.272,1375 17.355,1376 1,1377 96,1378 271.268,1379 101.912,1380 276.239,1381 385,1382 258,1383 116,1384 292.325,1385 122.606,1386 301.244,1387 437.64,1388 283,1389 5.6}
{0 CHEMBL1965507,1 1.735,2 13.4,3 2.729,4 7.446,5 117.735,6 8.719,7 0.667,8 3.994,9 4.11,10 3.724,11 3.59,12 5.229,13 3.571,14 4.444,15 4.582,16 4.094,17 3.959,18 5.713,19 3.918,20 4.652,21 4.818,22 4.098,23 4.033,24 5.862,25 3.982,26 4.729,27 4.933,28 4.126,29 3.959,30 5.977,31 3.909,32 4.655,33 4.859,34 3.881,35 3.832,36 6.015,37 3.773,38 4.49,39 4.692,40 3.787,41 3.757,42 5.721,43 3.703,44 4.417,45 4.602,46 3.737,47 3.787,48 5.606,49 3.691,50 4.403,51 4.614,52 3.61,53 3.712,54 5.505,55 3.616,56 0.1,57 0.77,58 7.777,59 3.844,60 11.4,61 4.243,62 0.315,63 1.182,64 15.017,65 6.673,66 26.629,67 7.885,68 0.292,69 1.373,70 18.355,71 7.816,72 36.71,73 8.908,74 0.375,75 1.433,76 26.308,77 8.941,78 41.671,79 10.782,80 0.635,81 1.262,82 25.207,83 8.41,84 81.869,85 9.433,86 0.398,87 1.061,88 19.272,89 6.969,90 59.102,91 7.922,92 0.375,93 1.04,94 18.317,95 7.179,96 44.062,97 8.277,98 0.254,99 1.024,100 18.368,101 6.907,102 34.399,103 8.39,104 17,105 46,106 0.289,107 0.628,108 0.744,109 0.825,110 0.859,111 0.88,112 3.44,113 0.901,114 -3.77,115 -3.74,116 -3.55,119 43.8,120 1,142 8,143 3,144 3,147 1,148 1,151 1,158 1,159 1,161 1,163 1,164 1,165 1,172 8,174 1,175 4,177 1,178 4,179 1,180 8,183 10,185 1,188 3,193 8,196 5,198 1,200 8,202 1,203 1,205 8,208 3,210 1,212 2,213 6,215 1,216 3,217 2,218 4,220 1,221 4,225 2,230 2,233 8,238 4,241 2,242 1,243 3,246 10,248 2,250 4,255 3,258 8,260 2,263 1,264 1,267 1,269 4,272 4,276 1472,277 20.17,278 20.17,279 20.17,280 20.17,281 20.17,282 17.222,283 24.83,284 11.887,285 20.632,286 16.304,287 16.304,288 16.304,289 16.304,290 16.304,291 11.878,292 34.91,293 5.675,294 17.032,295 3.85,296 1.814,297 1.122,298 0.633,299 0.432,300 0.307,301 4.135,305 1,306 1,307 876,308 3.606,311 75.098,312 311.611,315 140.252,319 2.24,320 31.226,323 1,324 1,325 1,326 0.4,328 0.83,329 0.5,330 0.68,331 65,332 402,333 4.659,334 3.621,335 6.87,336 4.184,337 3.22,338 4.613,339 1.656,340 11.41,341 3.108,342 4.108,343 3.562,344 5.784,345 3.729,346 2.758,347 3.681,348 1.058,349 7.934,350 2.674,351 4.044,352 3.033,353 5.63,354 3.636,355 2.659,356 3.642,357 0.247,358 7.751,359 2.596,360 3.817,361 2.745,362 5.468,363 3.443,364 2.469,365 3.181,367 7.244,368 2.39,369 3.619,370 2.659,371 5.199,372 3.225,373 2.238,374 2.911,376 6.45,377 2.196,378 3.422,379 2.246,380 5.033,381 2.984,382 2.022,383 2.806,385 5.677,386 1.949,387 3.352,388 2.133,389 4.873,390 2.856,391 1.975,392 2.625,394 5.636,395 1.721,396 3.135,397 2.087,398 4.494,399 2.705,400 1.705,401 2.321,403 4.602,404 1.689,405 2.936,406 1.757,407 4.205,408 2.38,409 1.425,410 2.084,412 3.575,413 1.349,414 2.658,415 1.24,416 3.757,417 2.179,418 1.181,419 1.729,421 2.593,422 1.178,423 2.522,424 1.14,425 3.479,426 2,427 1.016,428 1.502,430 2.569,431 1,432 2.5,433 1,434 3.414,435 1.943,436 1,437 1.5,439 2.275,440 0.926,441 2.154,442 0.824,443 3.303,444 1.549,445 0.707,446 0.988,448 1.746,449 0.581,450 1.492,451 0.776,452 2.973,453 1.157,454 0.193,455 0.233,457 0.488,458 0.184,459 1.188,460 0.512,461 2.674,462 0.817,463 -0.163,464 -0.204,466 -0.419,467 -0.158,468 14.4,469 0.48,470 0.767,471 0.026,472 44.75,473 1.492,474 25,475 0.833,476 19.75,477 0.658,478 20.552,479 0.685,480 30.6,481 0.638,482 33.604,483 1.12,484 8.856,485 0.295,486 5.635,487 0.188,488 0.109,490 0.347,496 0.854,497 1.115,498 0.718,499 0.798,500 0.681,501 0.757,502 0.459,503 1.021,504 0.807,505 0.981,506 0.5,507 0.91,508 1.139,509 1.214,510 0.924,511 1.008,512 1.037,513 1.065,514 1.014,515 1.263,516 0.885,517 1.179,518 1.007,519 1.025,520 1.365,521 0.781,522 1.156,523 0.972,524 1.509,525 0.99,526 1.535,527 0.81,528 0.878,529 0.712,530 1.629,531 0.808,532 0.939,533 0.905,534 1.145,535 1.018,536 1.049,537 1.064,538 0.889,539 1.054,540 1.071,541 1.062,542 0.803,543 1.086,544 6.5,545 0.128,546 2.889,547 2.313,548 1.828,549 0.694,550 0.656,551 0.281,552 0.264,553 0.195,554 13774,555 41502,556 2.087,557 37.5,558 3,559 8,560 1,561 1,562 5,567 1.721,568 1.957,569 3.679,570 2.452,572 1,577 83.271,578 1.735,579 3.771,580 4.463,581 4.952,582 5.153,583 5.278,584 3.083,585 4.615,586 4.88,587 3.902,588 1697.25,589 8.471,590 25039.3,592 1,594 1,595 268.078,596 1.4,597 4.839,598 0.197,599 0.007,600 0.063,601 0.051,602 0.044,603 0.02,604 0.02,605 0.009,606 0.009,607 0.008,608 0.428,609 0.17,610 1,611 0.551,612 157.95,613 -0.151,614 0.004,615 0.024,616 0.102,617 -0.13,618 0.082,619 0.296,620 0.053,621 0.062,622 -0.012,623 0.127,624 -0.01,625 -0.193,626 -0.193,627 -0.098,628 -0.108,629 -0.14,630 -0.161,631 0.028,632 -0.293,633 0.144,634 -0.187,635 0.048,636 -0.04,637 0.021,638 0.186,639 -0.13,640 -0.007,641 0.024,642 -0.036,643 -0.275,644 0.122,645 0.03,646 0.209,647 -0.21,648 0.158,649 -0.005,650 0.067,651 -0.147,652 0.007,653 -0.083,654 -0.075,655 -0.113,656 -0.095,657 -0.119,658 -0.083,659 -0.078,660 -0.075,661 2.016,662 5.639,663 0.7,664 32.8,665 1.013,666 1.121,667 2.543,668 6.469,669 0.712,670 3.526,671 3.85,672 4.094,673 4.369,674 4.522,675 4.511,676 4.575,677 4.691,678 4.663,679 4.762,680 8.03,681 0.686,682 418.52,683 3.526,684 5.069,685 5.911,686 6.788,687 7.643,688 8.523,689 9.386,690 10.268,691 11.135,692 12.018,693 12.5,697 1,700 3,703 2,708 2,709 10,710 2,713 1,714 6,716 22,723 1,727 1,735 48,737 24,738 2,739 33,741 51,742 21,743 18,744 4,745 8,746 1,748 4,749 5,753 1,754 1,762 20,763 1,767 2,772 2,776 2,780 1,783 18,784 8,785 5,786 9,787 1,792 6,797 0.75,798 2,810 1,815 1,816 3,819 1,843 3,845 1,847 1,851 30,852 1,860 3,869 1,874 4.2,877 2,881 15.333,882 8.817,883 6.528,884 2.567,886 4.014,887 1.521,888 1.027,889 5.813,890 11.718,891 3.85,892 4.48,893 5.059,894 5.674,895 6.15,896 6.329,897 6.629,898 7.018,899 7.055,900 7.388,901 0.889,902 45,903 11.043,905 4.732,906 7.9,907 20.571,909 16.595,911 2.4,912 72,915 1,916 153.024,917 161.02,918 120.5,920 50.29,922 31.278,923 129.743,924 203.314,925 120.5,926 8.825,927 54.032,928 116.356,929 100.654,930 25.833,931 18.375,932 160.76,934 153.024,935 250.243,936 50.29,937 31.278,939 153.024,940 50.29,943 71.793,944 144.879,945 33.571,946 31.278,947 153.024,948 170.79,949 161.02,952 153.024,953 60.117,954 100.903,955 54.032,956 116.758,957 153.024,958 170.79,959 161.02,961 0.583,962 0.334,963 0.186,964 0.097,965 22,966 10,967 0.078,968 4,969 1,970 1.095,971 4.266,972 257.998,973 0.095,974 21,975 137.207,977 1,981 20.106,982 8.674,983 4.709,984 1.206,985 170.79,986 17.413,987 8.078,990 1.331,991 3.636,993 86.929,994 484.835,995 46,1000 24.793,1004 -0.654,1007 48.643,1008 53.82,1009 0.311,1010 0.675,1011 0.799,1012 0.887,1013 0.923,1014 0.945,1015 5.072,1016 1.705,1017 5.894,1018 5.636,1019 4.533,1020 5.168,1021 2.084,1022 6.686,1023 4.453,1024 6.294,1025 1.425,1026 7.439,1027 4.602,1028 4.111,1029 4.987,1030 1.195,1031 7.538,1032 4.028,1033 7.603,1034 1.181,1035 9.08,1036 3.575,1037 6.107,1038 7.4,1039 2.617,1040 10.644,1041 5.961,1042 8.947,1043 1.016,1044 10.779,1045 2.593,1046 6.479,1047 8.044,1048 2.324,1049 12.38,1050 6.323,1051 10.32,1052 1,1053 12.519,1054 2.569,1055 7.956,1056 9.937,1057 3.348,1058 15.021,1059 7.75,1060 11.716,1061 0.707,1062 14.289,1063 2.275,1064 8.715,1065 11.006,1066 3.407,1067 17.163,1068 8.489,1069 13.132,1070 0.193,1071 16.083,1072 1.746,1073 9.98,1074 12.678,1075 4.204,1076 19.656,1077 9.712,1078 3.22,1079 -0.163,1080 17.898,1081 0.488,1082 10.935,1083 13.972,1084 4.464,1085 21.974,1086 10.638,1087 2.758,1088 11.41,1089 19.731,1090 -0.419,1091 12.116,1092 15.55,1093 5.132,1094 24.422,1095 11.782,1096 2.659,1097 7.934,1098 21.579,1099 4.613,1100 13.17,1101 16.96,1102 5.504,1103 26.811,1104 12.801,1105 2.469,1106 7.751,1107 23.44,1108 3.681,1109 14.323,1110 18.5,1111 6.1,1112 29.248,1113 13.918,1114 2.238,1115 7.244,1116 25.312,1117 3.642,1118 15.427,1119 19.969,1120 6.531,1121 31.664,1122 14.985,1123 2.022,1124 6.45,1125 27.193,1126 3.181,1127 16.574,1128 21.496,1129 7.087,1130 34.098,1131 16.096,1132 1.975,1133 5.677,1134 29.083,1135 2.911,1136 17.704,1137 22.993,1138 7.551,1139 36.525,1140 17.189,1141 12955,1142 22707,1143 22.076,1144 34.159,1145 49.805,1146 51.138,1147 50.902,1148 49.042,1149 49.136,1150 67.634,1151 5.923,1152 139.9,1153 47.086,1154 5.532,1155 5.621,1156 6.426,1157 5.293,1158 5.22,1159 7.613,1160 2.912,1161 18.549,1162 5.108,1163 14.592,1164 1.509,1165 1.55,1166 1.542,1167 1.486,1168 1.489,1169 2.05,1170 0.179,1171 4.239,1172 1.427,1173 4.07,1174 4.089,1175 4.321,1176 4.046,1177 7.432,1178 4.005,1179 3.947,1180 3.981,1181 3.9,1182 3.868,1183 7.428,1184 3.866,1185 3.886,1186 3.919,1187 3.828,1188 3.818,1189 5.216,1190 3.815,1191 3.484,1192 3.534,1193 3.447,1194 3.22,1195 4.786,1196 3.266,1197 3.381,1198 3.426,1199 3.428,1200 3.153,1201 4.75,1202 3.181,1203 3.165,1204 3.242,1205 3.285,1206 3.019,1207 4.735,1208 2.993,1209 3.112,1210 3.171,1211 2.964,1212 2.946,1213 4.274,1214 2.927,1215 2.971,1216 3.074,1217 2.859,1218 2.749,1219 4.075,1220 2.749,1221 0.141,1222 0.11,1223 0.208,1224 0.127,1225 0.098,1226 4.659,1227 0.14,1228 3.621,1229 0.05,1230 6.87,1231 0.346,1232 4.184,1233 0.094,1234 3.22,1235 4.613,1236 1.656,1237 11.41,1238 3.108,1239 1.921,1240 1.891,1241 2.039,1242 2.037,1243 1.132,1244 2.034,1245 1.894,1246 1.865,1247 1.998,1248 1.997,1249 1.084,1250 1.999,1251 1.805,1252 1.778,1253 1.839,1254 1.948,1255 0.949,1256 1.928,1257 1.472,1258 1.467,1259 1.561,1260 1.662,1261 0.621,1262 1.629,1263 1.308,1264 1.255,1265 1.474,1266 1.551,1267 0.613,1268 1.544,1269 1.166,1270 1.096,1271 1.365,1272 1.388,1273 0.345,1274 1.42,1275 1.008,1276 0.966,1277 1.181,1278 1.287,1279 0.22,1280 1.283,1281 0.886,1282 0.821,1283 1.179,1284 1.151,1285 0.218,1286 1.164,1287 4.205,1289 5.525,1290 2.398,1291 7.029,1292 4.727,1293 8.618,1294 6.862,1295 10.252,1297 1.955,1301 5.892,1305 8.351,1314 32.906,1315 83.271,1316 180.985,1317 214.204,1318 237.714,1319 247.323,1320 253.323,1321 52.632,1322 7.704,1323 122.03,1324 150.27,1325 23,1326 12.555,1327 4.644,1328 3.807,1329 47.482,1330 148,1331 126,1332 0.155,1333 207.396,1334 349.23,1335 497.807,1336 26908,1338 21.087,1339 0.703,1340 0.56,1341 21.441,1342 16.787,1343 14.491,1344 0.439,1345 0.3,1346 8.989,1347 13.539,1348 8.689,1349 7.251,1350 14.945,1351 9.911,1352 13.301,1353 0.289,1354 0.161,1355 13.852,1356 7.427,1357 10.72,1358 0.182,1359 0.088,1360 11.393,1361 5.207,1362 9.334,1363 0.12,1364 0.049,1365 10.22,1366 3.812,1367 7.093,1368 0.078,1369 0.025,1370 7.822,1371 2.319,1372 0.254,1373 95.065,1374 0.213,1375 29.033,1376 0.401,1377 158,1378 487.933,1379 196.174,1380 501.095,1381 681.72,1382 466,1383 184,1384 488.208,1385 217.856,1386 512.571,1387 744.25,1388 480,1389 6.6}
{0 CHEMBL1965570,1 1.747,2 13.313,3 4.373,4 19.121,5 123.635,6 9.072,7 0.75,8 4.031,9 4.127,10 3.797,11 3.67,12 5.282,13 3.656,14 4.484,15 4.591,16 4.17,17 4.064,18 5.751,19 4.028,20 4.698,21 4.856,22 4.219,23 4.152,24 5.924,25 4.095,26 4.752,27 4.918,28 4.289,29 4.165,30 5.996,31 4.099,32 4.778,33 4.953,34 4.194,35 4.113,36 6.109,37 4.031,38 4.625,39 4.81,40 3.922,41 3.95,42 5.814,43 3.887,44 4.525,45 4.723,46 3.798,47 3.85,48 5.687,49 3.781,50 4.521,51 4.729,52 3.726,53 3.803,54 5.673,55 3.715,56 0.109,57 0.77,58 6.882,59 4.057,60 11.106,61 4.108,62 0.288,63 1.212,64 12.968,65 7.082,66 22.836,67 7.407,68 0.395,69 1.545,70 18.412,71 8.828,72 42.954,73 9.387,74 0.373,75 1.642,76 23.013,77 9.984,78 43.726,79 10.561,80 0.682,81 1.6,82 30.382,83 11.182,84 85.757,85 11.135,86 0.4,87 1.322,88 21.904,89 8.68,90 52.959,91 9.168,92 0.335,93 1.2,94 17.031,95 7.37,96 38.147,97 8.835,98 0.352,99 1.205,100 19.659,101 8.512,102 38.929,103 10.036,104 10,105 51,106 0.287,107 0.593,108 0.772,109 0.868,110 0.89,111 0.89,112 3.502,113 0.883,114 -4.74,115 -4.66,116 -4.38,119 49,142 9,143 5,144 3,145 1,147 1,151 3,152 1,159 1,163 1,164 1,165 1,172 11,175 4,177 1,178 3,179 1,180 4,183 14,185 1,188 3,193 5,196 11,198 1,200 6,205 8,208 8,210 3,212 1,213 8,218 8,221 6,223 3,225 5,230 6,233 7,235 3,238 2,240 1,241 1,243 2,246 10,250 3,253 1,254 1,255 2,257 1,258 9,264 3,269 2,272 5,276 1758,277 21.93,278 21.93,279 21.93,280 21.93,281 21.93,282 18.558,283 14.841,284 12.889,285 22.318,286 17.781,287 17.781,288 17.781,289 17.781,290 17.781,291 12.801,292 18.707,293 6.113,294 18.433,295 3.868,296 2.013,297 0.924,298 0.342,299 0.204,300 0.204,301 4.21,305 1,306 1,307 948,308 3.162,311 153.413,312 307.539,315 136.998,319 2.125,320 32.927,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 69.5,332 426,333 4.746,334 3.574,335 7.012,336 4.281,337 3.313,338 4.724,339 1.656,340 11.976,341 3.206,342 4.209,343 3.325,344 6.338,345 3.834,346 2.854,347 3.821,348 0.247,349 9.592,350 2.818,351 4.181,352 3.088,353 6.054,354 3.786,355 2.818,356 3.786,358 8.709,359 2.695,360 3.977,361 2.832,362 5.755,363 3.564,364 2.59,365 3.556,367 7.736,368 2.519,369 3.701,370 2.582,371 5.44,372 3.32,373 2.346,374 3.062,376 7.139,377 2.275,378 3.439,379 2.306,380 5.09,381 2.985,382 2.017,383 2.839,385 5.706,386 1.957,387 3.416,388 2.043,389 4.816,390 2.915,391 1.976,392 2.685,394 5.415,395 1.841,396 3.123,397 1.875,398 4.535,399 2.627,400 1.666,401 2.381,403 4.464,404 1.581,405 2.875,406 1.694,407 4.119,408 2.393,409 1.414,410 2.039,412 3.575,413 1.383,414 2.806,415 1.497,416 4.054,417 2.353,418 1.382,419 1.916,421 3.095,422 1.323,423 2.579,424 1.146,425 3.65,426 2.077,427 1.108,428 1.613,430 2.952,431 1.064,432 2.5,433 1,434 3.595,435 2,436 1,437 1.5,439 2.4,440 1,441 2.477,442 1,443 3.414,444 1.933,445 1,446 1.466,448 2.275,449 0.924,450 2.173,451 0.778,452 3.264,453 1.618,454 0.721,455 1.029,457 1.794,458 0.618,459 2.118,460 0.673,461 3,462 1.586,463 0.618,464 0.927,466 1.372,467 0.609,468 15.386,469 0.481,470 0.747,471 0.023,472 47.75,473 1.492,474 27,475 0.844,476 20.75,477 0.648,478 22.63,479 0.707,480 32.014,481 0.653,482 36.711,483 1.147,484 9.554,485 0.299,486 6.043,487 0.189,488 0.066,490 0.357,494 1,496 0.754,497 0.886,498 0.675,499 0.757,500 0.631,501 0.712,502 0.668,503 0.898,504 0.85,505 0.922,506 0.568,507 0.891,508 0.926,509 0.991,510 0.909,511 0.905,512 0.945,513 0.967,514 0.986,515 1.171,516 1.039,517 1.115,518 1.024,519 1.024,520 0.925,521 0.925,522 1.416,523 1.242,524 0.928,525 1.069,526 1.049,527 0.938,528 1.157,529 1.043,530 1.071,531 1.051,532 0.753,533 0.947,534 0.83,535 0.94,536 0.728,537 1.078,538 0.905,539 0.962,540 0.926,541 1.019,542 0.88,543 1.095,544 5.5,545 0.133,546 3.778,547 2.056,548 1.899,549 1.032,550 0.757,551 0.383,552 0.189,553 0.254,554 16020,555 50130,556 2.154,557 34.7,559 9,560 3,561 1,562 4,567 1.74,568 2.043,569 3.664,570 1.57,572 1,577 85.595,578 1.747,579 3.602,580 4.691,581 5.273,582 5.411,583 5.411,584 3.102,585 4.601,586 4.97,587 3.876,588 1922.4,589 8.67,590 28705.4,592 1,595 275.121,596 1.317,597 4.943,598 0.153,599 0.006,600 0.074,601 0.04,602 0.037,603 0.022,604 0.019,605 0.011,606 0.006,607 0.01,608 0.379,610 0.88,611 0.476,612 169.981,613 -0.1,614 0.052,615 0.025,616 0.099,617 -0.1,618 0.087,619 0.075,620 0.039,621 -0.035,622 0.003,623 0.042,624 -0.041,625 -0.073,626 0.005,627 -0.033,628 0.026,629 -0.065,630 -0.049,631 -0.082,632 -0.137,633 0.026,634 -0.075,635 -0.059,636 -0.061,637 0.069,638 0.024,639 -0.151,640 -0.099,641 0.123,642 -0.066,643 -0.167,644 -0.048,645 -0.186,646 -0.081,647 -0.134,648 -0.075,649 -0.01,650 -0.078,651 -0.028,652 -0.075,653 -0.029,654 -0.089,655 0.008,656 -0.031,657 0.011,658 -0.054,659 -0.001,660 -0.035,661 2.193,662 5.715,663 0.813,664 36.559,665 1.017,666 1.114,667 3.512,668 12.334,669 0.732,670 3.611,671 3.951,672 4.263,673 4.564,674 4.762,675 4.868,676 5.03,677 5.193,678 5.273,679 5.352,680 7.856,681 0.71,682 444.52,683 3.611,684 5.165,685 6.033,686 6.925,687 7.81,688 8.708,689 9.602,690 10.504,691 11.403,692 12.309,693 8.2,697 1,700 2,703 1,708 2,709 13,710 1,712 1,713 1,714 8,716 27,727 1,734 1,735 49,737 28,738 2,739 36,741 53,742 24,743 23,744 4,745 8,748 5,749 6,753 1,762 24,767 1,772 1,776 1,780 1,781 1,782 1,783 17,784 7,785 4,786 8,787 1,792 4,797 0.8,798 2,809 1,815 2,816 3,819 1,843 4,845 1,849 1,851 32,852 1,860 2,869 1,873 1,874 4.1,877 1,879 1,881 15.667,882 8.76,883 6.944,884 2.673,886 4.972,887 1.601,888 1.063,889 5.536,890 13.241,891 3.942,892 4.6,893 5.247,894 5.905,895 6.425,896 6.816,897 7.309,898 7.808,899 8.168,900 8.55,901 0.889,902 51,903 11.796,905 5.161,906 7.896,907 22.06,909 18.296,911 2.396,912 76.667,915 1,916 153.024,917 194.039,918 85.704,920 34.652,921 14.96,922 31.278,923 162.761,924 187.677,925 100.664,927 36.022,928 149.311,929 53.702,930 48.505,931 57.623,932 137.218,934 153.024,935 248.465,936 49.612,937 31.278,939 167.984,940 34.652,943 45.069,944 186.611,945 16.786,946 31.278,947 167.984,948 120.356,949 194.039,952 153.024,953 68.577,954 125.462,955 36.022,956 99.295,957 153.024,958 135.317,959 194.039,961 0.584,962 0.349,963 0.196,964 0.102,965 26,966 11,967 0.075,968 4,969 1,970 1.077,971 4.402,972 299.101,973 0.077,974 26,975 156,977 1,981 20.522,982 8.633,983 4.092,984 1.909,985 135.317,986 22.329,987 4.372,989 5.214,990 1.588,991 4.448,993 68.919,994 482.38,995 50.5,1000 12.197,1004 -0.526,1007 49.836,1008 54.578,1009 0.311,1010 0.641,1011 0.835,1012 0.939,1013 0.964,1014 0.964,1015 5.169,1016 1.666,1017 6.019,1018 5.415,1019 4.635,1020 5.288,1021 1.758,1022 6.853,1023 4.564,1024 6.397,1025 1.414,1026 7.588,1027 4.464,1028 4.205,1029 5.085,1030 1.195,1031 7.806,1032 4.109,1033 7.715,1034 1.382,1035 9.261,1036 3.575,1037 6.244,1038 7.557,1039 2.415,1040 10.947,1041 6.116,1042 9.073,1043 1.108,1044 10.997,1045 3.095,1046 6.673,1047 8.242,1048 2.324,1049 12.782,1050 6.515,1051 10.465,1052 1,1053 12.774,1054 2.952,1055 8.155,1056 10.139,1057 3.244,1058 15.447,1059 7.971,1060 11.882,1061 1,1062 14.582,1063 2.4,1064 8.976,1065 11.254,1066 3.407,1067 17.646,1068 8.757,1069 13.319,1070 0.721,1071 16.412,1072 2.275,1073 10.247,1074 12.922,1075 4.156,1076 20.167,1077 10.003,1078 3.313,1079 0.618,1080 18.259,1081 1.794,1082 11.252,1083 14.255,1084 4.464,1085 22.521,1086 10.973,1087 2.854,1088 11.976,1089 20.119,1090 1.372,1091 12.447,1092 15.833,1093 5.111,1094 25.001,1095 12.14,1096 2.818,1097 9.592,1098 21.992,1099 4.724,1100 13.539,1101 17.274,1102 5.504,1103 27.423,1104 13.196,1105 2.59,1106 8.709,1107 23.874,1108 3.821,1109 14.71,1110 18.822,1111 6.091,1112 29.895,1113 14.338,1114 2.346,1115 7.736,1116 25.764,1117 3.786,1118 15.845,1119 20.315,1120 6.531,1121 32.347,1122 15.438,1123 2.017,1124 7.139,1125 27.661,1126 3.556,1127 17.014,1128 21.856,1129 7.083,1130 34.82,1131 16.575,1132 1.976,1133 5.706,1134 29.564,1135 3.062,1136 18.171,1137 23.376,1138 7.551,1139 37.287,1140 17.697,1141 14789,1142 26307,1143 24.561,1144 35.847,1145 54.593,1146 55.417,1147 55.53,1148 54.019,1149 54.023,1150 75.131,1151 3.806,1152 157.325,1153 51.97,1154 5.615,1155 5.574,1156 6.7,1157 5.392,1158 5.313,1159 7.724,1160 2.912,1161 19.529,1162 5.206,1163 13.081,1164 1.516,1165 1.539,1166 1.542,1167 1.501,1168 1.501,1169 2.087,1170 0.106,1171 4.37,1172 1.444,1173 4.135,1174 4.145,1175 4.345,1176 4.136,1177 8.201,1178 4.098,1179 3.927,1180 3.959,1181 3.887,1182 3.833,1183 7.431,1184 3.837,1185 3.88,1186 3.902,1187 3.831,1188 3.801,1189 5.2,1190 3.802,1191 3.764,1192 3.78,1193 3.775,1194 3.652,1195 5.073,1196 3.652,1197 3.424,1198 3.469,1199 3.429,1200 3.189,1201 4.776,1202 3.216,1203 3.259,1204 3.306,1205 3.367,1206 3.099,1207 4.662,1208 3.101,1209 3.028,1210 3.106,1211 2.991,1212 2.875,1213 4.574,1214 2.857,1215 2.907,1216 2.964,1217 2.839,1218 2.735,1219 4.245,1220 2.737,1221 0.132,1222 0.099,1223 0.195,1224 0.119,1225 0.092,1226 4.746,1227 0.131,1228 3.574,1229 0.046,1230 7.012,1231 0.333,1232 4.281,1233 0.089,1234 3.313,1235 4.724,1236 1.656,1237 11.976,1238 3.206,1239 1.966,1240 1.947,1241 2.037,1242 2.047,1243 1.189,1244 2.043,1245 1.879,1246 1.852,1247 1.981,1248 1.992,1249 1.061,1250 1.987,1251 1.843,1252 1.825,1253 1.891,1254 1.926,1255 1.043,1256 1.93,1257 1.474,1258 1.45,1259 1.581,1260 1.612,1261 0.706,1262 1.6,1263 1.331,1264 1.309,1265 1.446,1266 1.574,1267 0.553,1268 1.536,1269 1.235,1270 1.215,1271 1.388,1272 1.529,1273 0.314,1274 1.496,1275 1.188,1276 1.168,1277 1.277,1278 1.309,1279 0.29,1280 1.351,1281 0.891,1282 0.84,1283 1.181,1284 1.176,1285 0.218,1286 1.184,1287 4.29,1289 5.624,1290 3.045,1291 7.149,1292 5.283,1293 8.766,1294 7.322,1295 10.434,1299 13.715,1301 6.219,1305 5.201,1314 34.773,1315 85.595,1316 176.486,1317 229.837,1318 258.366,1319 265.121,1320 265.121,1321 53.503,1322 8.269,1323 93.18,1324 121.42,1325 28,1326 12.829,1327 4.858,1328 3.954,1329 46.009,1330 152,1331 144,1332 0.147,1333 213.462,1334 359.3,1335 512.608,1336 51070,1337 2,1338 22.079,1339 0.69,1340 0.545,1341 21.562,1342 17.449,1343 15.597,1344 0.433,1345 0.294,1346 9.658,1347 14.595,1348 9.413,1349 7.78,1350 15.641,1351 10.591,1352 14.125,1353 0.277,1354 0.156,1355 14.131,1356 7.939,1357 12.217,1358 0.175,1359 0.086,1360 12.387,1361 6.046,1362 10.591,1363 0.111,1364 0.048,1365 11.291,1366 4.603,1367 8.261,1368 0.071,1369 0.026,1370 8.835,1371 3.014,1372 0.236,1373 102.128,1374 0.202,1375 30.272,1376 0.388,1377 174,1378 570.066,1379 212.283,1380 552.493,1381 753.06,1382 516,1383 208,1384 541.641,1385 244.615,1386 560.198,1387 820.28,1388 527,1389 7.1}
{0 CHEMBL1965589,1 1.735,2 10.067,3 3.218,4 10.356,5 106.995,6 8.509,7 0.647,8 4.02,9 4.134,10 3.694,11 3.547,12 5.231,13 3.569,14 4.518,15 4.679,16 4.076,17 3.898,18 5.763,19 3.915,20 4.738,21 4.927,22 4.126,23 3.988,24 6.006,25 3.995,26 4.759,27 4.976,28 4.128,29 3.99,30 6.089,31 3.992,32 4.696,33 4.883,34 4.145,35 4.035,36 5.914,37 4.025,38 4.753,39 4.939,40 4.197,41 4.076,42 6.058,43 4.073,44 4.818,45 5.011,46 4.113,47 4.056,48 6.105,49 4.028,50 4.808,51 5.053,52 3.862,53 3.872,54 6.039,55 3.8,56 0.148,57 0.923,58 7.543,59 3.984,60 17.458,61 4.514,62 0.345,63 1.431,64 14.909,65 6.494,66 31.591,67 7.753,68 0.693,69 1.7,70 21.927,71 7.817,72 78.875,73 8.979,74 0.837,75 1.817,76 23.813,77 7.422,78 100.026,79 9.317,80 0.538,81 1.644,82 19.553,83 7.751,84 46.572,85 9.826,86 0.581,87 1.79,88 20.37,89 7.818,90 50.167,91 9.626,92 0.623,93 1.893,94 22.829,95 9.103,96 55.569,97 10.909,98 0.861,99 1.669,100 27.489,101 9.27,102 88.838,103 12.001,104 17,105 51,106 0.29,107 0.676,108 0.834,109 0.876,110 0.876,111 0.876,112 3.442,113 0.84,114 -4.07,115 -4.02,116 -3.81,119 43.8,120 1,121 2,125 1,130 1,142 4,143 1,144 2,145 2,146 3,150 1,151 1,152 1,161 1,172 3,174 2,175 4,178 2,180 2,183 3,187 3,188 5,192 1,193 2,196 1,199 1,200 5,205 1,208 1,212 1,213 8,216 3,221 2,224 2,225 6,228 1,230 1,233 4,238 3,243 2,246 4,249 1,250 5,253 2,255 3,264 2,267 1,269 1,272 2,276 1596,277 20.154,278 20.154,279 20.154,280 20.154,281 20.154,282 17.525,283 15.053,284 11.453,285 20.702,286 16.755,287 16.755,288 16.755,289 16.755,290 16.755,291 12.805,292 17.95,293 5.423,294 17.748,295 3.85,296 1.545,297 0.599,298 0.349,299 0.349,300 0.349,301 4.14,305 1,306 1,307 669,308 3.162,309 50.995,311 59.576,312 243.309,315 116.951,319 1.413,320 44.592,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 67,332 302,333 4.774,334 3.592,335 7.084,336 4.355,337 3.394,338 4.727,339 0.4,340 12.286,341 3.255,342 4.395,343 3.41,344 7.071,345 4.315,346 3.364,347 3.942,349 12.096,350 3.201,351 4.26,352 3.132,353 6.36,354 3.816,355 2.86,356 3.726,358 9.573,359 2.724,360 4.094,361 2.79,362 6.048,363 3.64,364 2.698,365 3.393,367 8.601,368 2.544,369 3.744,370 2.705,371 5.428,372 3.303,373 2.372,374 3.203,376 7.047,377 2.198,378 3.496,379 2.489,380 5.179,381 3.076,382 2.144,383 2.843,385 6.233,386 1.983,387 3.185,388 2.049,389 4.941,390 2.738,391 1.799,392 2.438,394 5.317,395 1.684,396 3.115,397 1.894,398 4.748,399 2.615,400 1.695,401 2.378,403 4.817,404 1.544,405 2.889,406 1.491,407 4.17,408 2.375,409 1.435,410 2.056,412 3.571,413 1.341,414 2.711,415 1.331,416 4.04,417 2.214,418 1.265,419 1.804,421 3.168,422 1.197,423 2.585,424 1.149,425 3.797,426 2.055,427 1.1,428 1.626,430 2.663,431 1.046,432 2.185,433 0.965,434 3.576,435 1.766,436 0.82,437 1.052,439 2.029,440 0.773,441 1.916,442 0.815,443 3.457,444 1.668,445 0.732,446 0.875,448 1.936,449 0.684,450 1.361,451 0.498,452 3,453 1.091,454 0.166,455 0.173,457 0.393,458 0.153,459 1.225,460 0.41,461 2.879,462 0.972,463 0.05,464 0.063,466 0.124,467 0.045,468 13.805,469 0.46,470 0.911,471 0.03,472 41.5,473 1.383,474 20.5,475 0.683,476 21,477 0.7,478 24.027,479 0.801,480 31.795,481 0.662,482 32.826,483 1.094,484 8.044,485 0.268,486 6.39,487 0.213,488 0.102,489 0.036,490 0.355,494 2,496 0.705,497 1.14,498 0.653,499 1.022,500 0.631,501 0.87,502 0.709,503 1.049,504 0.698,505 1.026,506 0.612,507 0.897,508 1.162,509 1.065,510 0.999,511 0.912,512 1.122,513 0.908,514 0.907,515 0.858,516 0.895,517 0.735,518 0.722,519 0.765,520 0.625,521 0.947,522 0.79,523 0.964,524 0.596,525 0.933,526 0.746,527 0.922,528 0.877,529 0.96,530 0.628,531 0.947,532 0.973,533 1.195,534 1.091,535 1.255,536 0.97,537 1.224,538 0.946,539 0.994,540 1.127,541 1.136,542 1.034,543 1.185,544 7,545 0.211,546 4.111,547 2.514,548 2.064,549 1.331,550 0.793,551 0.661,552 0.425,553 0.271,554 11318,555 34598,556 2.136,557 37.5,559 6,560 1,561 2,562 2,563 3,564 4,567 1.736,568 1.989,569 3.248,570 0.276,571 1,572 1,577 83.271,578 1.735,579 4.04,580 4.986,581 5.236,582 5.236,583 5.236,584 2.689,585 4.507,586 4.874,587 3.459,588 1504.72,589 8.55,590 20159.9,592 1,594 1,595 268.078,596 1.579,597 4.829,598 0.206,599 0.011,600 0.086,601 0.051,602 0.042,603 0.026,604 0.015,605 0.014,606 0.013,607 0.01,608 0.473,609 0.33,610 0.88,611 0.551,612 151.045,613 -0.084,614 -0.167,615 0.028,616 -0.035,617 -0.075,618 0.016,619 0.013,620 -0.105,621 0.104,622 -0.074,623 0.032,624 0.011,625 -0.149,626 -0.072,627 -0.079,628 0.034,629 -0.135,630 0.002,631 0.003,632 0.128,633 0.052,634 0.185,635 0.104,636 0.161,637 0.076,638 -0.026,639 0.058,640 -0.007,641 0.017,642 0.009,643 0.013,644 0.038,645 -0.029,646 -0.024,647 0.043,648 -0.034,649 -0.05,650 -0.172,651 -0.178,652 -0.27,653 -0.05,654 -0.268,655 0.067,656 -0.023,657 -0.072,658 -0.151,659 -0.011,660 -0.164,661 2.381,662 6.621,663 0.8,664 27.88,665 1.024,666 1.141,667 2.842,668 8.078,669 0.681,670 3.555,671 3.951,672 4.22,673 4.511,674 4.804,675 4.99,676 5.159,677 5.342,678 5.442,679 5.493,680 6.142,681 0.673,682 408.45,683 3.555,684 5.142,685 6.023,686 6.942,687 7.846,688 8.77,689 9.684,690 10.611,691 11.53,692 12.458,693 12.5,698 1,701 1,703 4,708 1,709 7,710 4,714 8,716 22,728 1,734 2,735 48,737 22,738 1,739 34,741 52,742 21,743 16,744 3,745 3,748 5,749 6,754 1,757 2,758 1,760 2,762 16,763 5,764 1,780 1,781 2,783 18,784 8,785 2,786 9,789 1,792 6,797 0.8,798 1,801 1,806 1,810 1,813 1,815 1,816 3,819 1,841 1,843 4,847 1,849 2,851 30,857 1,858 3,860 1,865 1,873 2,874 2.1,875 1,881 15.083,882 9.069,883 6.319,884 2.846,886 4.335,887 1.542,888 0.997,889 4.407,890 12.334,891 3.829,892 4.514,893 5.144,894 5.81,895 6.435,896 6.897,897 7.405,898 7.928,899 8.318,900 8.678,901 0.857,902 49,903 11.175,905 5.07,906 8.008,907 20.736,909 17.658,911 2.508,912 75.25,915 1,916 188.338,917 117.116,918 86.439,920 42.683,921 29.92,923 117.116,924 231.021,925 116.36,926 8.825,927 7.175,928 89.636,929 110.41,930 49.079,931 46.347,932 153.024,934 188.338,935 203.556,936 72.604,939 171.173,940 47.084,941 42.683,943 47.266,944 71.137,945 85.153,947 218.258,948 129.123,949 117.116,952 188.338,953 43.244,954 75.159,955 18.011,956 139.746,957 188.338,958 159.043,959 117.116,961 0.601,962 0.34,963 0.179,964 0.103,965 28,966 12,967 0.096,968 5,969 1,970 1.083,971 4.064,972 290.032,973 0.083,974 24,975 145.207,981 18.895,982 6.997,983 3.628,984 0.548,985 157.756,986 10.014,987 17.607,991 1.169,993 60.694,994 464.497,995 45,1007 49.149,1008 54.785,1009 0.311,1010 0.723,1011 0.893,1012 0.938,1013 0.938,1014 0.938,1015 5.103,1016 1.695,1017 6.061,1018 5.317,1019 4.635,1020 5.201,1021 0.278,1022 6.959,1023 4.522,1024 6.367,1025 1.435,1026 7.681,1027 4.817,1028 4.511,1029 5.19,1031 8.23,1032 4.344,1033 7.724,1034 1.265,1035 9.408,1036 3.571,1037 6.382,1038 7.507,1039 0.05,1040 11.266,1041 6.174,1042 9.116,1043 1.1,1044 11.199,1045 3.168,1046 7.04,1047 8.28,1049 13.32,1050 6.784,1051 10.538,1052 0.82,1053 13.032,1054 2.663,1055 8.458,1056 10.12,1057 0.008,1058 15.964,1059 8.163,1060 11.981,1061 0.732,1062 14.892,1063 2.029,1064 9.437,1065 11.274,1067 18.297,1068 9.097,1069 13.441,1070 0.166,1071 16.771,1072 1.936,1073 10.705,1074 12.923,1075 0.001,1076 20.832,1077 10.325,1078 3.394,1079 0.05,1080 18.666,1081 0.393,1082 11.818,1083 14.271,1085 23.266,1086 11.392,1087 3.364,1088 12.286,1089 20.572,1090 0.124,1091 13.038,1092 15.844,1094 25.772,1095 12.572,1096 2.86,1097 12.096,1098 22.486,1099 4.727,1100 14.206,1101 17.291,1103 28.245,1104 13.695,1105 2.698,1106 9.573,1107 24.408,1108 3.942,1109 15.414,1110 18.837,1112 30.744,1113 14.861,1114 2.372,1115 8.601,1116 26.334,1117 3.726,1118 16.605,1119 20.334,1121 33.232,1122 16.008,1123 2.144,1124 7.047,1125 28.266,1126 3.393,1127 17.813,1128 21.874,1130 35.73,1131 17.172,1132 1.799,1133 6.233,1134 30.201,1135 3.203,1136 19.015,1137 23.395,1139 38.225,1140 18.33,1141 10551,1142 18620,1143 22.77,1144 32.694,1145 52.365,1146 52.868,1147 53.798,1148 51.851,1149 51.789,1150 68.601,1151 0.8,1152 159.708,1153 48.746,1154 5.712,1155 5.592,1156 6.634,1157 5.431,1158 5.394,1159 7.727,1160 0.8,1161 19.882,1162 5.255,1163 14.325,1164 1.54,1165 1.555,1166 1.582,1167 1.525,1168 1.523,1169 2.018,1170 0.024,1171 4.697,1172 1.434,1173 4.162,1174 4.207,1175 4.145,1176 4.015,1177 8.211,1178 4.042,1179 3.932,1180 3.977,1181 3.842,1182 3.8,1183 8.191,1184 3.801,1185 3.865,1186 3.894,1187 3.831,1188 3.761,1189 6.451,1190 3.773,1191 3.762,1192 3.816,1193 3.71,1194 3.597,1195 5.12,1196 3.62,1197 3.331,1198 3.398,1199 3.267,1200 3.158,1201 4.94,1202 3.176,1203 3.158,1204 3.241,1205 3.016,1206 3.004,1207 4.558,1208 2.993,1209 3.137,1210 3.224,1211 2.972,1212 2.907,1213 4.329,1214 2.914,1215 2.904,1216 2.959,1217 2.866,1218 2.733,1219 4.166,1220 2.735,1221 0.14,1222 0.106,1223 0.208,1224 0.128,1225 0.1,1226 4.774,1227 0.139,1228 3.592,1229 0.012,1230 7.084,1231 0.361,1232 4.355,1233 0.096,1234 3.394,1235 4.727,1236 0.4,1237 12.286,1238 3.255,1239 1.922,1240 1.895,1241 1.985,1242 2.083,1243 1.114,1244 2.054,1245 1.864,1246 1.823,1247 1.946,1248 1.994,1249 1.027,1250 1.981,1251 1.727,1252 1.679,1253 1.83,1254 1.921,1255 0.987,1256 1.897,1257 1.446,1258 1.394,1259 1.654,1260 1.662,1261 0.825,1262 1.661,1263 1.298,1264 1.247,1265 1.54,1266 1.494,1267 0.815,1268 1.507,1269 1.153,1270 1.064,1271 1.513,1272 1.376,1273 0.592,1274 1.429,1275 1.105,1276 1.033,1277 1.269,1278 1.319,1279 0.356,1280 1.316,1281 0.862,1282 0.805,1283 1.114,1284 1.155,1285 0.269,1286 1.138,1287 4.234,1288 1.946,1289 5.609,1290 4.111,1291 7.179,1292 6.138,1293 8.834,1294 8.102,1295 10.535,1297 1.806,1299 28.091,1302 10.05,1303 1.84,1305 3.049,1310 -0.701,1314 32.297,1315 83.271,1316 193.897,1317 239.323,1318 251.323,1319 251.323,1320 251.323,1321 61.961,1322 7.998,1323 88.23,1324 88.23,1325 26,1326 12.963,1327 4.524,1328 3.585,1329 41.249,1330 104,1331 118,1332 0.186,1333 193.127,1334 326.99,1335 462.99,1336 32783,1337 4.2,1338 20.88,1339 0.696,1340 0.537,1341 19.14,1342 16.102,1343 14.433,1344 0.425,1345 0.28,1346 9.351,1347 13.73,1348 9.182,1349 7.521,1350 13.629,1351 9.523,1352 13.914,1353 0.273,1354 0.147,1355 12.753,1356 7.483,1357 11.436,1358 0.171,1359 0.074,1360 10.644,1361 4.956,1362 9.431,1363 0.105,1364 0.036,1365 8.715,1366 3.213,1367 7.855,1368 0.065,1369 0.018,1370 7.484,1371 2.188,1372 0.283,1373 91.548,1374 0.21,1375 27.771,1376 0.539,1377 170,1378 604.93,1379 192.669,1380 535.886,1381 727.27,1382 500,1383 206,1384 541.824,1385 228.744,1386 533.993,1387 791.38,1388 504,1389 5.1}
{0 CHEMBL1965631,1 1.567,2 12.214,3 2.788,4 7.774,5 109.563,6 7.663,7 0.677,8 4.008,9 4.146,10 3.607,11 3.514,12 5.155,13 3.509,14 4.508,15 4.699,16 3.939,17 3.893,18 5.587,19 3.872,20 4.683,21 4.878,22 3.902,23 3.988,24 5.76,25 3.92,26 4.812,27 5.082,28 3.884,29 3.925,30 5.816,31 3.852,32 4.635,33 4.857,34 3.83,35 3.794,36 5.813,37 3.771,38 4.545,39 4.776,40 3.788,41 3.766,42 5.618,43 3.723,44 4.496,45 4.72,46 3.711,47 3.74,48 5.58,49 3.686,50 4.488,51 4.725,52 3.515,53 3.722,54 5.498,55 3.619,56 0.106,57 0.811,58 9.624,59 3.918,60 9.224,61 5.287,62 0.267,63 1.236,64 17.97,65 6.038,66 18.526,67 8.643,68 0.294,69 1.375,70 21.813,71 7.886,72 33.808,73 11.039,74 0.345,75 1.406,76 28.604,77 8.483,78 41.203,79 13.095,80 0.471,81 1.229,82 22.913,83 5.922,84 57.461,85 8.532,86 0.305,87 1.179,88 20.285,89 6.22,90 30.362,91 9.179,92 0.363,93 1.127,94 19.036,95 5.983,96 29.255,97 8.565,98 0.257,99 1.044,100 19.349,101 6.685,102 33.233,103 9.695,104 14,105 43,106 0.262,107 0.625,108 0.746,109 0.828,110 0.837,111 0.837,112 3.374,113 0.867,114 -3.56,115 -3.54,116 -3.37,119 40.8,124 2,125 2,142 8,143 3,146 2,151 1,153 1,158 1,166 2,168 1,172 10,174 1,175 4,178 1,179 1,180 2,183 10,187 1,188 9,191 2,193 3,196 5,200 13,203 1,205 4,212 1,213 11,216 1,218 1,221 1,224 2,225 6,228 2,233 4,237 2,238 4,241 4,246 8,249 1,250 1,258 9,263 3,264 1,269 2,272 6,276 1298,277 18.963,278 18.963,279 18.963,280 18.963,281 18.963,282 16.397,283 18.24,284 11.328,285 19.262,286 15.369,287 15.369,288 15.369,289 15.369,290 15.369,291 11.492,292 26.806,293 5.466,294 15.831,295 4.048,296 1.872,297 1.148,298 0.658,299 0.602,300 0.602,301 4.071,304 1,305 1,306 1,307 739,308 3.536,311 141.952,312 170.182,315 118.071,319 2.031,320 19.467,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 60.5,332 342,333 4.575,334 3.625,335 6.573,336 4.108,337 3.131,338 4.521,339 1.959,340 10.467,341 3.059,342 4.236,343 3.127,344 6.145,345 3.827,346 2.862,347 3.878,348 0.815,349 9.11,350 2.76,351 3.917,352 2.96,353 5.548,354 3.552,355 2.567,356 3.451,357 0.522,358 7.562,359 2.531,360 3.738,361 2.693,362 5.34,363 3.446,364 2.469,365 3.054,366 0.163,367 6.849,368 2.408,369 3.561,370 2.46,371 5.05,372 3.13,373 2.16,374 2.894,376 6.102,377 2.093,378 3.291,379 2.22,380 4.973,381 2.921,382 1.986,383 2.565,385 5.664,386 1.853,387 2.944,388 1.99,389 4.349,390 2.643,391 1.665,392 2.123,394 4.195,395 1.611,396 2.933,397 1.563,398 4.233,399 2.483,400 1.496,401 1.962,403 3.902,404 1.476,405 2.776,406 1.355,407 3.997,408 2.29,409 1.314,410 1.885,412 3.174,413 1.279,414 2.602,415 1.201,416 3.576,417 2.109,418 1.135,419 1.642,421 2.937,422 1.102,423 2.5,424 1,425 3.282,426 2,427 1,428 1.5,430 2.136,431 1,432 2.209,433 0.836,434 3.247,435 1.716,436 0.738,437 1.072,439 1.758,440 0.721,441 2.093,442 0.693,443 3.241,444 1.607,445 0.621,446 0.903,448 1.545,449 0.611,450 1.195,451 0.593,452 2.78,453 0.879,454 -0.09,455 -0.11,457 -0.238,458 -0.086,459 1.107,460 0.143,461 2.684,462 0.767,463 -0.181,464 -0.211,466 -0.492,467 -0.171,468 13.133,469 0.469,470 0.677,471 0.024,472 38.25,473 1.366,474 20,475 0.714,476 18.25,477 0.652,478 19.967,479 0.713,480 29.467,481 0.601,482 28.849,483 1.03,484 7.963,485 0.284,486 5.617,487 0.201,488 0.102,490 0.327,496 0.677,497 1.222,498 0.749,499 1.052,500 0.574,501 0.933,502 0.907,503 1.033,504 0.833,505 0.853,506 0.605,507 0.823,508 1,509 1.227,510 1.13,511 1.246,512 1.186,513 1.223,514 0.898,515 1.075,516 0.793,517 0.909,518 0.76,519 0.839,520 1.874,521 1.009,522 1.144,523 0.805,524 2.166,525 0.86,526 0.994,527 1.053,528 0.903,529 0.947,530 0.878,531 0.912,532 1.04,533 0.836,534 1.064,535 0.94,536 0.962,537 0.99,538 0.904,539 0.99,540 1.095,541 1.091,542 0.896,543 1.117,544 6,545 0.106,546 2.444,547 1.764,548 1.049,549 0.82,550 0.552,551 0.44,552 0.159,553 0.258,554 10537,555 27491,556 2.115,557 42.9,559 18,560 1,562 2,567 1.708,568 2,569 3.574,570 0.282,571 1,572 1,577 76.792,578 1.567,579 3.742,580 4.466,581 4.956,582 5.012,583 5.012,584 3.084,585 4.45,586 4.774,587 3.744,588 1415.29,589 8.293,590 19082.7,592 1,594 1,595 275.121,596 1.333,597 4.748,598 0.194,599 0.005,600 0.057,601 0.045,602 0.028,603 0.023,604 0.016,605 0.014,606 0.006,607 0.011,608 0.397,609 0.33,610 1,611 1.204,612 142.211,613 0.133,614 -0.003,615 0.068,616 -0.035,617 -0.004,618 -0.006,619 0.013,620 0.099,621 0.065,622 0.123,623 0.047,624 0.109,625 -0.037,626 -0.171,627 -0.22,628 -0.24,629 -0.142,630 -0.262,631 0.059,632 -0.151,633 0.229,634 0.056,635 0.137,636 0.157,637 -0.303,638 0.018,639 -0.124,640 0.094,641 -0.244,642 0.024,643 0.036,644 -0.016,645 0.068,646 -0.002,647 0.03,648 0.03,649 0.024,650 0.233,651 -0.106,652 -0.002,653 -0.038,654 -0.065,655 -0.051,656 -0.016,657 -0.14,658 -0.079,659 -0.014,660 -0.114,661 1.769,662 5.07,663 0.714,664 31.362,665 1.005,666 1.135,667 2.334,668 5.448,669 0.67,670 3.466,671 3.784,672 4.025,673 4.317,674 4.477,675 4.605,676 4.787,677 4.934,678 5.017,679 5.1,680 7.11,681 0.644,682 375.48,683 3.466,684 5.004,685 5.844,686 6.72,687 7.579,688 8.463,689 9.333,690 10.22,691 11.098,692 11.988,693 14.3,696 1,700 1,701 2,703 3,708 2,709 9,710 3,711 1,714 4,715 1,716 21,735 49,737 22,738 2,739 31,741 52,742 20,743 15,744 4,745 8,748 4,749 5,762 16,763 4,767 1,772 1,776 1,780 1,783 21,784 6,785 2,786 8,792 7,797 0.75,798 1,807 1,815 2,816 2,819 1,829 1,839 1,843 3,847 2,851 28,858 2,860 1,864 1,871 1,874 2,877 1,881 14,882 9.417,883 6.083,884 2.702,886 4.041,887 1.519,888 1.007,889 5.196,890 11.82,891 3.773,892 4.394,893 4.985,894 5.624,895 6.099,896 6.485,897 6.994,898 7.47,899 7.791,900 8.158,901 1,902 39,903 10.29,905 4.319,906 7.702,907 19.622,909 15.817,911 2.202,912 61.667,915 1,916 223.651,917 126.739,918 89.441,920 25.145,923 126.739,924 248.796,925 89.441,926 16.793,927 22.222,928 84.857,929 79.716,930 37.737,931 11.771,932 211.88,934 223.651,935 216.18,936 25.145,939 223.651,940 25.145,943 51.015,944 115.299,945 49.867,947 223.651,948 114.586,949 126.739,952 223.651,953 25.089,954 106.551,955 34.674,956 75.011,957 223.651,958 114.586,959 126.739,961 0.578,962 0.319,963 0.178,964 0.089,965 21,966 9,967 0.115,968 6,969 1,970 1.1,971 4.085,972 239.348,973 0.1,974 20,975 126.606,981 18.355,982 7.927,983 4.299,984 1.614,985 96.146,986 17.844,987 12.771,988 2.893,991 3.427,992 1.81,993 34.674,994 464.976,995 42.5,1000 12.07,1004 -0.102,1007 49.225,1008 55.604,1009 0.279,1010 0.667,1011 0.795,1012 0.883,1013 0.893,1014 0.893,1015 4.992,1016 1.496,1017 5.82,1018 4.195,1019 4.466,1020 5.081,1021 2.208,1022 6.603,1023 4.41,1024 6.202,1025 1.314,1026 7.354,1027 3.902,1028 4.007,1029 4.844,1030 1.668,1031 7.413,1032 3.919,1033 7.502,1034 1.135,1035 8.984,1036 3.174,1037 6.028,1038 7.302,1039 3.064,1040 10.506,1041 5.919,1042 8.839,1043 1,1044 10.672,1045 2.937,1046 6.382,1047 7.936,1048 3.135,1049 12.172,1050 6.242,1051 10.208,1052 0.738,1053 12.397,1054 2.136,1055 7.866,1056 9.836,1057 4.223,1058 14.764,1059 7.706,1060 11.601,1061 0.621,1062 14.151,1063 1.758,1064 8.605,1065 10.901,1066 4.573,1067 16.8,1068 8.417,1069 13.013,1070 -0.09,1071 15.925,1072 1.545,1073 9.866,1074 12.563,1075 5.481,1076 19.217,1077 9.657,1078 3.131,1079 -0.181,1080 17.716,1081 -0.238,1082 10.797,1083 13.846,1084 5.975,1085 21.417,1086 10.56,1087 2.862,1088 10.467,1089 19.519,1090 -0.492,1091 11.965,1092 15.406,1093 6.781,1094 23.774,1095 11.706,1096 2.567,1097 9.11,1098 21.334,1099 4.521,1100 12.99,1101 16.798,1102 7.353,1103 26.047,1104 12.705,1105 2.469,1106 7.562,1107 23.157,1108 3.878,1109 14.121,1110 18.317,1111 8.101,1112 28.385,1113 13.814,1114 2.16,1115 6.849,1116 24.988,1117 3.451,1118 15.194,1119 19.763,1120 8.717,1121 30.691,1122 14.861,1123 1.986,1124 6.102,1125 26.825,1126 3.054,1127 16.314,1128 21.267,1129 9.432,1130 33.025,1131 15.958,1132 1.665,1133 5.664,1134 28.667,1135 2.894,1136 17.411,1137 22.741,1138 10.073,1139 35.348,1140 17.031,1141 10039,1142 16368,1143 20.978,1144 32.824,1145 47.108,1146 47.067,1147 46.992,1148 46.336,1149 46.289,1150 62.902,1151 6.917,1152 130.801,1153 45.005,1154 5.448,1155 5.625,1156 6.375,1157 5.144,1158 5.131,1159 7.521,1160 3.43,1161 17.213,1162 5.059,1163 12.367,1164 1.52,1165 1.518,1166 1.516,1167 1.495,1168 1.493,1169 2.029,1170 0.223,1171 4.219,1172 1.452,1173 4.128,1174 4.171,1175 4.098,1176 4.017,1177 7.429,1178 4.03,1179 3.949,1180 4.001,1181 3.895,1182 3.856,1183 5.139,1184 3.853,1185 3.782,1186 3.839,1187 3.733,1188 3.574,1189 5.027,1190 3.612,1191 3.683,1192 3.755,1193 3.582,1194 3.446,1195 4.736,1196 3.47,1197 3.394,1198 3.468,1199 3.294,1200 3.174,1201 4.329,1202 3.194,1203 3.217,1204 3.283,1205 3.102,1206 2.981,1207 4.29,1208 2.992,1209 3.04,1210 3.109,1211 2.908,1212 2.884,1213 3.913,1214 2.884,1215 2.874,1216 3.009,1217 2.752,1218 2.735,1219 3.799,1220 2.721,1221 0.148,1222 0.117,1223 0.212,1224 0.133,1225 0.101,1226 4.575,1227 0.146,1228 3.625,1229 0.063,1230 6.573,1231 0.338,1232 4.108,1233 0.099,1234 3.131,1235 4.521,1236 1.959,1237 10.467,1238 3.059,1239 1.947,1240 1.927,1241 2.046,1242 2.026,1243 1.185,1244 2.032,1245 1.911,1246 1.881,1247 2.01,1248 2,1249 1.151,1250 2.006,1251 1.629,1252 1.56,1253 1.856,1254 1.898,1255 0.992,1256 1.886,1257 1.457,1258 1.397,1259 1.618,1260 1.728,1261 0.76,1262 1.69,1263 1.397,1264 1.311,1265 1.569,1266 1.695,1267 0.605,1268 1.67,1269 1.214,1270 1.154,1271 1.417,1272 1.471,1273 0.484,1274 1.436,1275 1.098,1276 1.033,1277 1.377,1278 1.371,1279 0.469,1280 1.35,1281 0.934,1282 0.821,1283 1.323,1284 1.239,1285 0.42,1286 1.308,1287 4.143,1289 5.46,1290 3.045,1291 6.948,1292 5.352,1293 8.518,1294 7.402,1295 10.135,1297 3.697,1303 0.96,1305 2.873,1309 1.81,1314 31.552,1315 76.792,1316 183.372,1317 218.856,1318 242.856,1319 245.611,1320 245.611,1321 40.223,1322 7.779,1323 91.73,1324 91.73,1325 22,1326 12.52,1327 4.524,1328 3.644,1329 42.552,1330 118,1331 118,1332 0.175,1333 195.326,1334 320.91,1335 468.355,1336 27134,1338 19.51,1339 0.697,1340 0.563,1341 19.51,1342 15.755,1343 13.581,1344 0.438,1345 0.289,1346 8.8,1347 12.976,1348 8.532,1349 7.156,1350 13.581,1351 8.955,1352 12.484,1353 0.29,1354 0.161,1355 12.484,1356 6.903,1357 9.821,1358 0.179,1359 0.078,1360 9.821,1361 4.3,1362 8.669,1363 0.117,1364 0.041,1365 8.669,1366 3.009,1367 6.369,1368 0.073,1369 0.021,1370 6.369,1371 1.858,1372 0.278,1373 85.679,1374 0.218,1375 27.064,1376 0.469,1377 148,1378 430.627,1379 162.759,1380 424.132,1381 584.44,1382 396,1383 172,1384 443.209,1385 188.731,1386 451.334,1387 648.21,1388 420,1389 5.1}
{0 CHEMBL1965660,1 1.844,2 8.435,3 3.299,4 10.88,5 89.973,6 10.241,7 0.68,8 3.67,9 3.781,10 3.483,11 3.274,12 4.975,13 3.279,14 4.096,15 4.215,16 3.905,17 3.66,18 5.485,19 3.643,20 4.311,21 4.453,22 3.968,23 3.769,24 5.602,25 3.728,26 4.329,27 4.477,28 4.072,29 3.745,30 5.679,31 3.702,32 4.357,33 4.54,34 3.855,35 3.718,36 5.598,37 3.657,38 4.321,39 4.506,40 3.894,41 3.59,42 5.772,43 3.555,44 4.203,45 4.39,46 3.713,47 3.469,48 5.548,49 3.404,50 4,51 4.191,52 3.593,53 3.228,54 5.556,55 3.157,56 0.14,57 0.532,58 3.247,59 2.272,60 16.329,61 2.201,62 0.247,63 0.786,64 5.881,65 4.051,66 28.916,67 4.551,68 0.389,69 0.885,70 13.259,71 5.337,72 41.2,73 5.394,74 0.461,75 0.898,76 16.283,77 5.376,78 43.882,79 5.522,80 0.407,81 0.91,82 15.066,83 6.042,84 42.594,85 6.844,86 0.528,87 0.843,88 15.534,89 5.596,90 60.125,91 6.159,92 0.446,93 0.695,94 16.831,95 5.358,96 56.58,97 5.648,98 0.461,99 0.567,100 13.921,101 4.346,102 63.346,103 4.917,104 27,105 36,106 0.335,107 0.653,108 0.808,109 0.902,110 0.902,111 0.902,112 3.189,113 0.874,114 -3.36,115 -3.34,116 -3.2,119 44.1,142 5,143 2,144 2,145 1,146 1,150 1,152 2,158 1,163 2,164 2,165 2,172 3,174 1,175 3,177 3,178 3,180 4,183 8,185 1,188 2,191 1,193 3,196 6,198 1,200 2,203 1,204 1,205 5,207 1,208 8,210 2,213 3,216 1,217 1,218 2,220 1,221 4,223 2,224 1,225 6,227 1,228 1,230 6,233 2,235 5,238 4,243 1,246 4,248 1,249 1,250 2,252 2,253 2,254 1,255 2,257 2,260 2,262 1,264 4,269 3,272 1,274 3,276 704,277 15.085,278 15.085,279 15.085,280 15.085,281 15.085,282 12.868,283 9.189,284 8.725,285 15.524,286 12.327,287 12.327,288 12.327,289 12.327,290 12.327,291 8.993,292 6.774,293 4.144,294 13.147,295 3.243,296 1.492,297 0.636,298 0.118,299 0.118,300 0.118,301 3.863,302 2,304 1,305 1,306 1,307 410,308 2.646,311 61.679,312 149.772,319 1.323,320 28.57,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 50.167,332 194,333 4.586,334 3.565,335 6.794,336 4.198,337 3.223,338 4.314,339 0.98,340 11.181,341 3.141,342 4.205,343 3.239,344 6.159,345 3.773,346 2.826,347 3.845,349 9.095,350 2.673,351 4.003,352 2.925,353 5.903,354 3.567,355 2.611,356 3.566,358 8.049,359 2.477,360 3.565,361 2.742,362 5.105,363 3.13,364 2.192,365 2.9,367 6.035,368 2.039,369 3.495,370 2.477,371 5.033,372 3.044,373 2.139,374 2.801,376 6.008,377 1.873,378 3.091,379 2.167,380 4.667,381 2.591,382 1.685,383 2.271,385 4.585,386 1.476,387 2.841,388 1.627,389 4.227,390 2.351,391 1.406,392 1.981,394 3.738,395 1.265,396 2.672,397 1.308,398 3.905,399 2.15,400 1.189,401 1.739,403 2.849,404 1.131,405 2.431,406 1.021,407 3.543,408 1.896,409 0.948,410 1.392,412 2.454,413 0.888,414 2.275,415 0.982,416 3.467,417 1.735,418 0.76,419 1.11,421 2.016,422 0.732,423 1.268,424 0.345,425 2.716,426 0.794,427 -0.057,428 -0.072,430 -0.138,431 -0.04,432 0.944,433 0.256,434 2.508,435 0.525,436 -0.401,437 -0.507,439 -0.891,440 -0.293,441 0.796,442 0.098,443 2.359,444 0.271,445 -0.515,446 -0.621,448 -1.242,449 -0.37,450 0.692,451 -0.247,452 2,453 0.235,454 -0.714,455 -0.943,457 -2,458 -0.672,459 0.51,460 -0.692,461 2,462 0.058,463 -1,464 -1.173,466 -2.022,467 -0.854,468 11.262,469 0.49,470 0.72,471 0.031,472 33.25,473 1.446,474 18,475 0.783,476 15.25,477 0.663,478 16.04,479 0.697,480 23.538,481 0.692,482 24.07,483 1.047,484 6.688,485 0.291,486 4.264,487 0.185,488 0.227,490 0.4,496 0.851,497 1.066,498 0.528,499 0.616,500 0.85,501 0.616,502 0.56,503 1.008,504 0.559,505 0.79,506 0.448,507 0.79,508 1.16,509 1.055,510 1.045,511 0.959,512 1.037,513 0.977,514 0.933,515 1.117,516 0.874,517 1.029,518 0.975,519 1.05,520 0.921,521 0.974,522 0.847,523 0.967,524 0.923,525 1.014,526 0.867,527 1.028,528 0.773,529 1.016,530 1.026,531 0.986,532 1.357,533 1.07,534 1.147,535 1.059,536 1.538,537 1.051,538 0.838,539 0.964,540 1.09,541 1.124,542 0.882,543 1.113,544 5.5,545 0.054,546 2.889,547 1.785,548 1.741,549 1.122,550 0.565,551 0.412,552 0.217,553 0.088,554 4980,555 19922,556 2.016,557 32.4,559 5,561 1,562 5,567 1.663,568 1.84,569 3.072,570 2.761,572 1,574 1,577 62.707,578 1.844,579 3.595,580 4.452,581 4.97,582 4.97,583 4.97,584 2.546,585 4.263,586 4.494,587 3.204,588 810.666,589 7.772,590 8991.94,591 1,592 1,593 1,594 1,595 172.974,596 1.538,597 4.428,598 0.22,599 0.013,600 0.08,601 0.05,602 0.05,603 0.035,604 0.019,605 0.017,606 0.011,607 0.009,608 0.504,609 0.33,610 1,611 0.872,612 105.583,613 -0.205,614 0.088,615 -0.03,616 0.16,617 -0.235,618 0.128,619 0.138,620 0.074,621 0.058,622 0.049,623 0.189,624 0.03,625 -0.248,626 -0.042,627 -0.168,628 -0.039,629 -0.176,630 -0.091,631 0.002,632 -0.101,633 0.015,634 -0.111,635 -0.083,636 -0.161,637 -0.074,638 -0.007,639 -0.026,640 -0.012,641 -0.063,642 -0.022,643 0.154,644 -0.065,645 0.095,646 -0.059,647 0.145,648 -0.003,649 -0.219,650 -0.168,651 -0.068,652 -0.032,653 -0.248,654 -0.023,655 0.312,656 -0.047,657 0.05,658 -0.095,659 0.359,660 -0.081,661 2.254,662 4.761,663 0.739,664 17.365,665 1.03,666 1.125,667 2.13,668 4.538,669 0.742,670 3.258,671 3.611,672 3.871,673 4.159,674 4.382,675 4.489,676 4.533,677 4.644,678 4.654,679 4.575,680 5.176,681 0.723,682 348.21,683 3.258,684 4.812,685 5.666,686 6.561,687 7.44,688 8.341,689 9.23,690 10.134,691 11.029,692 11.934,693 14.7,697 1,700 1,701 1,703 2,709 6,710 2,711 1,714 8,716 17,722 1,727 1,734 2,735 34,737 18,738 1,739 25,741 36,742 15,743 14,744 3,745 3,746 1,748 3,749 3,750 2,762 15,767 1,772 1,776 1,779 1,780 1,783 11,784 5,785 5,786 8,787 2,792 5,797 1,798 1,810 1,811 1,815 1,816 2,843 3,848 2,851 23,852 2,873 2,874 2.9,877 1,881 12.5,882 6.019,883 4.972,884 1.739,886 3.063,887 1.445,888 1.024,889 4.259,890 9.95,891 3.57,892 4.223,893 4.823,894 5.443,895 5.97,896 6.324,897 6.689,898 7.128,899 7.487,900 7.749,901 0.833,902 36,903 8.403,905 3.624,906 8.053,907 15.366,909 12.395,911 2.553,912 58.722,916 70.627,917 84.675,918 116.151,919 78.297,920 25.145,923 84.675,924 174.069,925 116.151,927 32.897,928 80.278,929 75.192,930 41.962,931 7.413,932 58.856,933 78.297,934 70.627,935 200.826,936 25.145,937 78.297,939 70.627,940 25.145,943 63.386,944 103.869,945 111.868,947 70.627,948 141.296,949 162.972,952 70.627,953 28.246,954 56.429,955 16.786,956 202.808,957 70.627,958 141.296,959 162.972,961 0.592,962 0.339,963 0.185,964 0.106,965 18,966 9,967 0.083,968 3,970 1,971 3.381,972 187.828,974 17,975 104.042,981 15.804,982 6.199,983 3.171,985 124.51,986 9.77,987 7.954,988 3.109,991 3.533,993 82.58,994 374.895,995 34.5,1000 11.761,1004 -0.587,1007 35.018,1008 38.25,1009 0.363,1010 0.707,1011 0.875,1012 0.977,1013 0.977,1014 0.977,1015 4.806,1016 1.189,1017 5.68,1018 3.738,1019 4.29,1020 4.909,1021 1.072,1022 6.518,1023 4.173,1024 6.051,1025 0.948,1026 7.261,1027 2.849,1028 4.007,1029 4.796,1031 7.469,1032 3.803,1033 7.376,1034 0.76,1035 8.939,1036 2.454,1037 5.911,1038 7.146,1039 1.045,1040 10.579,1041 5.717,1042 8.736,1043 -0.057,1044 10.673,1045 2.016,1046 6.399,1047 7.81,1049 12.355,1050 6.148,1051 10.124,1052 -0.401,1053 12.443,1054 -0.138,1055 7.825,1056 9.656,1057 1.019,1058 15,1059 7.575,1060 11.533,1061 -0.515,1062 14.239,1063 -0.891,1064 8.663,1065 10.692,1067 17.126,1068 8.374,1069 12.959,1070 -0.714,1071 16.055,1072 -1.242,1073 9.907,1074 12.319,1075 0.993,1076 19.609,1077 9.609,1078 3.223,1079 -1,1080 17.886,1081 -2,1082 10.909,1083 13.547,1085 21.89,1086 10.583,1087 2.826,1088 11.181,1089 19.729,1090 -2.022,1091 12.085,1092 15.072,1093 0.967,1094 24.318,1095 11.744,1096 2.611,1097 9.095,1098 21.582,1099 4.314,1100 13.165,1101 16.402,1103 26.668,1104 12.8,1105 2.192,1106 8.049,1107 23.443,1108 3.845,1109 14.319,1110 17.88,1111 0.942,1112 29.078,1113 13.936,1114 2.139,1115 6.035,1116 25.311,1117 3.566,1118 15.436,1119 19.263,1121 31.459,1122 15.032,1123 1.685,1124 6.008,1125 27.184,1126 2.9,1127 16.586,1128 20.722,1129 0.917,1130 33.866,1131 16.163,1132 1.406,1133 4.585,1134 29.062,1135 2.801,1136 17.723,1137 22.135,1139 36.262,1140 17.279,1141 4956,1142 10013,1143 16.126,1144 25.244,1145 38.725,1146 39.239,1147 40.006,1148 38.311,1149 37.958,1150 51.84,1151 1.96,1152 112.022,1153 35.39,1154 5.277,1155 5.565,1156 6.346,1157 5.269,1158 5.223,1159 7.314,1160 1.96,1161 18.456,1162 5.141,1163 13.197,1164 1.549,1165 1.57,1166 1.6,1167 1.532,1168 1.518,1169 2.074,1170 0.078,1171 4.481,1172 1.416,1173 4.078,1174 4.11,1175 4.138,1176 3.989,1177 7.437,1178 3.996,1179 3.843,1180 3.876,1181 3.932,1182 3.757,1183 5.237,1184 3.759,1185 3.69,1186 3.733,1187 3.693,1188 3.53,1189 5.034,1190 3.552,1191 3.285,1192 3.354,1193 3.564,1194 2.952,1195 4.897,1196 3.01,1197 3.025,1198 3.133,1199 3.218,1200 2.853,1201 4.744,1202 2.838,1203 2.886,1204 2.922,1205 3.054,1206 2.783,1207 4.622,1208 2.767,1209 2.859,1210 2.887,1211 2.859,1212 2.726,1213 4.508,1214 2.733,1215 2.569,1216 2.654,1217 2.56,1218 2.343,1219 4.058,1220 2.365,1221 0.183,1222 0.143,1223 0.272,1224 0.168,1225 0.129,1226 4.586,1227 0.173,1228 3.565,1229 0.039,1230 6.794,1231 0.447,1232 4.198,1233 0.126,1234 3.223,1235 4.314,1236 0.98,1237 11.181,1238 3.141,1239 1.908,1240 1.894,1241 1.953,1242 1.994,1243 1.112,1244 1.985,1245 1.796,1246 1.755,1247 1.875,1248 1.952,1249 0.908,1250 1.941,1251 1.527,1252 1.506,1253 1.614,1254 1.711,1255 0.67,1256 1.683,1257 1.315,1258 1.251,1259 1.447,1260 1.574,1261 0.453,1262 1.547,1263 0.962,1264 0.895,1265 1.246,1266 1.296,1267 0.169,1268 1.294,1269 0.922,1270 0.83,1271 1.194,1272 1.232,1274 1.237,1275 0.868,1276 0.824,1277 1.097,1278 1.017,1280 1.06,1281 0.61,1282 0.561,1283 0.755,1284 0.767,1286 0.792,1287 3.932,1289 5.273,1290 2.398,1291 6.799,1292 4.727,1293 8.412,1294 6.862,1295 10.07,1298 12.127,1301 11.057,1314 24.584,1315 62.707,1316 122.245,1317 151.364,1318 168.974,1319 168.974,1320 168.974,1321 40.428,1322 6.887,1323 110.68,1324 110.68,1325 17,1326 12.455,1327 4.248,1328 3.392,1329 36.565,1330 70,1331 71,1332 0.261,1333 160.762,1334 268.73,1335 384.02,1336 7503,1337 5.9,1338 16.56,1339 0.72,1340 0.573,1341 17.56,1342 13.189,1343 10.952,1344 0.438,1345 0.291,1346 6.505,1347 10.009,1348 6.32,1349 5.207,1350 11.53,1351 7.282,1352 10.394,1353 0.289,1354 0.156,1355 11.173,1356 5.604,1357 8.247,1358 0.175,1359 0.08,1360 8.842,1361 3.782,1362 7.023,1363 0.111,1364 0.043,1365 7.759,1366 2.718,1367 5.507,1368 0.07,1369 0.021,1370 5.909,1371 1.698,1372 0.394,1373 74.491,1374 0.249,1375 22.092,1376 0.766,1377 122,1378 396.39,1379 163.302,1380 451.375,1381 592.7,1382 416,1383 144,1384 391.587,1385 174.818,1386 417.979,1387 610.37,1388 393,1389 5.5}
{0 CHEMBL1965702,1 1.528,2 10.154,3 3.58,4 12.813,5 106.741,6 7.57,7 0.552,8 3.995,9 4.134,10 3.586,11 3.521,12 5.011,13 3.493,14 4.562,15 4.765,16 3.978,17 3.941,18 5.535,19 3.885,20 4.827,21 5.063,22 3.985,23 4.096,24 5.684,25 3.993,26 4.921,27 5.195,28 3.984,29 4.081,30 5.762,31 3.953,32 4.873,33 5.158,34 3.898,35 4.003,36 5.713,37 3.873,38 4.73,39 4.991,40 3.957,41 3.92,42 5.669,43 3.803,44 4.598,45 4.843,46 3.823,47 3.828,48 5.563,49 3.699,50 4.44,51 4.664,52 3.652,53 3.726,54 5.383,55 3.607,56 0.026,57 0.78,58 10.312,59 4.055,60 8.135,61 5.848,62 0.28,63 1.249,64 21.087,65 7.024,66 24.603,67 10.328,68 0.219,69 1.488,70 29.247,71 9.504,72 26.608,73 14.141,74 0.386,75 1.512,76 34.302,77 10.511,78 36.227,79 15.944,80 0.339,81 1.402,82 33.936,83 9.769,84 38.982,85 14.826,86 0.415,87 1.216,88 31.506,89 8.489,90 36.184,91 12.499,92 0.352,93 1.031,94 31.153,95 8.068,96 38.809,97 11.473,98 0.281,99 0.936,100 24.399,101 6.437,102 28.474,103 9.271,104 11,105 41,106 0.259,107 0.608,108 0.777,109 0.849,110 0.862,111 0.862,112 3.304,113 0.97,114 -4.35,115 -4.28,116 -4.04,119 38.8,121 4,124 2,127 2,142 3,143 2,145 1,146 1,147 1,150 1,151 1,161 1,172 5,174 1,175 8,178 3,180 4,183 7,188 4,193 2,196 3,200 8,203 2,205 6,208 2,212 1,213 5,218 1,221 2,224 2,225 3,228 1,229 1,230 2,233 7,237 1,238 2,241 1,243 1,246 6,250 3,255 2,258 6,264 3,269 1,272 4,276 962,277 17.602,278 17.602,279 17.602,280 17.602,281 17.602,282 15.759,283 17.604,284 10.369,285 18.161,286 14.36,287 14.36,288 14.36,289 14.36,290 14.36,291 11.58,292 31.692,293 4.955,294 15.319,295 4.087,296 2.023,297 1.026,298 0.602,299 0.521,300 0.521,301 4.002,303 1,304 1,305 1,306 1,307 578,308 2.828,311 52.523,312 229.02,315 99.94,319 1.55,320 17.867,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 55.333,332 264,333 4.6,334 3.206,335 6.714,336 4.141,337 3.167,338 4.535,339 0.8,340 10.928,341 3.088,342 4.153,343 3.034,344 5.987,345 3.8,346 2.848,347 3.816,348 0.4,349 8.587,350 2.717,351 3.818,352 2.948,353 5.859,354 3.624,355 2.704,356 2.964,358 8.242,359 2.481,360 3.571,361 2.62,362 5.481,363 3.276,364 2.332,365 2.811,367 7.134,368 2.197,369 3.377,370 2.333,371 5.128,372 3.024,373 2.116,374 2.572,376 6.184,377 1.913,378 3.079,379 2.051,380 4.705,381 2.726,382 1.846,383 2.319,385 5.135,386 1.56,387 3.046,388 1.547,389 4.502,390 2.513,391 1.547,392 2.171,394 4.232,395 1.489,396 2.911,397 1.489,398 4.005,399 2.378,400 1.441,401 2.076,403 3.446,404 1.323,405 2.525,406 1.407,407 3.761,408 2.283,409 1.312,410 1.537,412 2.999,413 1.271,414 2.334,415 1.085,416 3.564,417 1.988,418 1.027,419 1.332,421 2.558,422 0.981,423 2,424 1.035,425 3.436,426 1.971,427 1,428 1,430 2.323,431 0.968,432 1.973,433 0.495,434 3.094,435 1.428,436 0.488,437 0.721,439 1.178,440 0.457,441 1.175,442 0.222,443 2.94,444 0.94,450 0.948,451 0.145,452 2.556,453 0.407,454 -0.398,455 -0.503,457 -1.013,458 -0.248,459 0.734,460 -0.532,461 2.282,462 0.359,463 -0.587,464 -0.696,466 -1.564,467 -0.554,468 12.614,469 0.485,470 0.661,471 0.025,472 32.5,473 1.25,474 14.5,475 0.558,476 18,477 0.692,478 23.466,479 0.903,480 28.186,481 0.575,482 21.669,483 0.833,484 5.985,485 0.23,486 6.613,487 0.254,488 0.136,490 0.349,496 0.871,497 1.536,498 0.672,499 1.072,500 0.74,501 0.973,502 0.811,503 1.019,504 0.714,505 0.885,506 0.507,507 0.884,508 0.987,509 1.193,510 0.862,511 1.029,512 0.842,513 1.024,514 0.716,515 1.002,516 0.72,517 0.929,518 0.668,519 0.924,520 1.026,521 0.94,522 0.817,523 0.806,524 0.967,525 0.829,526 1.154,527 0.865,528 1.075,529 0.866,530 1.235,531 0.879,532 1.363,533 0.917,534 1.522,535 1.07,536 1.477,537 0.991,538 1.562,539 0.969,540 1.536,541 1.115,542 1.748,543 1.118,544 5.5,545 0.103,546 2.444,547 2.007,548 1.183,549 0.688,550 0.636,551 0.273,552 0.268,553 0.13,554 8082,555 19025,556 2.124,557 46.9,558 2,559 11,560 1,561 1,562 2,564 4,565 2,567 1.692,568 2,569 3.343,570 0.289,572 1,577 74.858,578 1.528,579 3.592,580 4.589,581 5.012,582 5.094,583 5.094,584 2.763,585 4.316,586 4.674,587 3.485,588 1132.54,589 8.103,590 14010.4,592 1,594 1,595 275.121,596 1.37,597 4.637,598 0.19,599 0.006,600 0.06,601 0.05,602 0.032,603 0.02,604 0.019,605 0.009,606 0.011,607 0.006,608 0.404,609 0.17,610 1,611 0.721,612 126.68,613 -0.048,614 -0.276,615 0.037,616 -0.071,618 -0.006,619 0.157,620 0.137,621 0.073,622 0.067,623 0.303,624 0.061,625 -0.102,626 -0.149,627 -0.03,628 -0.063,629 -0.007,630 -0.054,631 0.161,632 -0.043,633 0.13,634 0.023,635 0.176,636 0.051,637 -0.034,639 0.115,640 0.136,641 0.028,642 0.137,643 0.083,644 0.115,645 0.089,646 0.106,647 0.011,648 0.079,649 -0.029,650 0.03,651 -0.074,652 -0.014,653 -0.027,654 0.007,655 -0.27,656 0.067,657 -0.246,658 -0.091,659 -0.384,660 -0.147,661 1.226,662 2.179,663 0.808,664 21.308,665 0.998,666 1.136,667 3.119,668 9.726,669 0.668,670 3.401,671 3.738,672 4.007,673 4.304,674 4.511,675 4.585,676 4.718,677 4.844,678 4.883,679 4.984,680 6.117,681 0.626,682 370.93,683 3.401,684 4.949,685 5.802,686 6.688,687 7.559,688 8.449,689 9.326,690 10.219,691 11.1,692 11.993,693 12.2,696 1,698 1,701 1,703 3,708 2,709 5,710 3,711 1,714 4,716 16,728 1,734 1,735 49,737 16,739 29,741 52,742 19,743 11,748 4,749 5,750 1,757 6,760 6,762 11,763 8,779 1,780 1,783 23,784 5,785 2,786 7,787 1,792 6,797 0.75,809 1,810 1,811 1,815 1,816 3,819 1,839 1,843 3,847 2,848 1,851 26,858 4,860 1,863 2,864 1,873 1,881 13,882 9.276,883 5.611,884 3.02,886 3.209,887 1.424,888 0.994,889 5.008,890 10.773,891 3.638,892 4.245,893 4.843,894 5.478,895 6.001,896 6.357,897 6.804,898 7.26,899 7.47,900 7.85,901 0.857,902 40,903 9.596,905 4.066,906 7.53,907 18.793,909 15.766,911 2.03,912 52.778,914 1,915 1,916 247.193,917 88.656,918 88.277,919 39.149,923 88.656,924 286.342,925 88.277,926 16.793,927 10.138,928 37.476,929 81.854,930 37.473,931 55.891,932 223.651,934 247.193,935 176.933,937 39.149,939 176.567,940 70.627,943 45.467,944 63.099,945 68.367,946 39.149,947 247.193,948 88.277,949 127.805,952 247.193,953 25.34,954 66.441,955 34.796,956 89.505,957 247.193,958 88.277,959 127.805,961 0.585,962 0.337,963 0.188,964 0.102,965 21,966 9,967 0.077,968 4,969 1,970 1.095,971 3.806,972 223.751,973 0.095,974 21,975 120.211,981 17.564,982 7.414,983 3.818,984 1.867,985 71.492,986 9.437,987 13.452,988 3.185,991 2.813,993 34.796,994 463.275,995 37,1007 48.887,1008 55.671,1009 0.272,1010 0.64,1011 0.817,1012 0.893,1013 0.907,1014 0.907,1015 4.883,1016 1.441,1017 5.79,1018 4.232,1019 4.419,1020 4.931,1021 0.824,1022 6.6,1023 4.301,1024 6.08,1025 1.312,1026 7.344,1027 3.446,1028 4.007,1029 4.732,1030 0.325,1031 7.469,1032 3.806,1033 7.382,1034 1.027,1035 8.996,1036 2.999,1037 6.009,1038 7.137,1039 0.413,1040 10.576,1041 5.8,1042 8.718,1043 1,1044 10.704,1045 2.558,1046 6.399,1047 7.806,1048 0.268,1049 12.288,1050 6.136,1051 10.089,1052 0.488,1053 12.451,1054 2.323,1055 7.88,1056 9.695,1057 0.246,1058 14.907,1059 7.603,1060 11.485,1062 14.224,1063 1.178,1064 8.65,1065 10.796,1066 0.188,1067 16.988,1068 8.339,1069 12.902,1070 -0.398,1071 16.017,1073 9.915,1074 12.461,1075 0.157,1076 19.441,1077 9.584,1078 3.167,1079 -0.587,1080 17.826,1081 -1.013,1082 10.87,1083 13.776,1084 0.125,1085 21.689,1086 10.514,1087 2.848,1088 10.928,1089 19.648,1090 -1.564,1091 12.045,1092 15.344,1093 0.102,1094 24.088,1095 11.668,1096 2.704,1097 8.587,1098 21.48,1099 4.535,1100 13.09,1101 16.759,1102 0.082,1103 26.411,1104 12.692,1105 2.332,1106 8.242,1107 23.321,1108 3.816,1109 14.231,1110 18.287,1111 0.067,1112 28.796,1113 13.813,1114 2.116,1115 7.134,1116 25.17,1117 2.964,1118 15.319,1119 19.75,1120 0.054,1121 31.153,1122 14.882,1123 1.846,1124 6.184,1125 27.026,1126 2.811,1127 16.449,1128 21.262,1129 0.043,1130 33.536,1131 15.993,1132 1.547,1133 5.135,1134 28.887,1135 2.572,1136 17.56,1137 22.748,1138 0.035,1139 35.91,1140 17.085,1141 7654,1142 11975,1143 19.592,1144 32.745,1145 44.152,1146 43.799,1147 44.834,1148 43.886,1149 43.659,1150 55.706,1151 2.4,1152 125.89,1153 40.891,1154 5.6,1155 5.206,1156 6.396,1157 5.216,1158 5.167,1159 7.535,1160 1.2,1161 18.11,1162 5.088,1163 11.429,1164 1.522,1165 1.51,1166 1.546,1167 1.513,1168 1.505,1169 1.921,1170 0.083,1171 4.341,1172 1.41,1173 4.125,1174 4.166,1175 4.113,1176 4.015,1177 5.139,1178 4.029,1179 3.918,1180 3.98,1181 3.919,1182 3.779,1183 5.006,1184 3.776,1185 3.759,1186 3.81,1187 3.764,1188 3.61,1189 4.516,1190 3.626,1191 3.479,1192 3.572,1193 3.377,1194 3.254,1195 4.395,1196 3.257,1197 3.365,1198 3.43,1199 3.31,1200 3.213,1201 4.321,1202 3.215,1203 3.188,1204 3.273,1205 3.191,1206 3.002,1207 4.103,1208 2.992,1209 2.986,1210 3.085,1211 2.968,1212 2.799,1213 3.921,1214 2.77,1215 2.874,1216 3.009,1217 2.762,1218 2.666,1219 3.749,1220 2.691,1221 0.159,1222 0.111,1223 0.232,1224 0.143,1225 0.109,1226 4.6,1227 0.156,1228 3.206,1229 0.028,1230 6.714,1231 0.377,1232 4.141,1233 0.106,1234 3.167,1235 4.535,1236 0.8,1237 10.928,1238 3.088,1239 1.913,1240 1.88,1241 2.092,1242 2.067,1243 1.486,1244 2.076,1245 1.877,1246 1.827,1247 1.967,1248 2.005,1249 1.082,1250 1.997,1251 1.723,1252 1.678,1253 1.797,1254 1.91,1255 0.928,1256 1.886,1257 1.459,1258 1.369,1259 1.753,1260 1.72,1261 0.843,1262 1.738,1263 1.378,1264 1.311,1265 1.54,1266 1.613,1267 0.787,1268 1.602,1269 1.183,1270 1.102,1271 1.466,1272 1.41,1273 0.646,1274 1.439,1275 1.025,1276 0.954,1277 1.417,1278 1.26,1279 0.496,1280 1.312,1281 0.996,1282 0.924,1283 1.39,1284 1.239,1285 0.469,1286 1.308,1287 4.078,1289 5.407,1290 2.398,1291 6.927,1292 4.727,1293 8.533,1294 6.843,1295 10.184,1297 4.29,1298 6.29,1303 4.68,1305 3.498,1308 0.965,1309 2.303,1314 30.697,1315 74.858,1316 176.001,1317 224.856,1318 245.611,1319 249.611,1320 249.611,1321 34.725,1322 7.563,1323 69.73,1324 69.73,1325 23,1326 12.522,1327 4.087,1328 3.17,1329 38.007,1330 96,1331 86,1332 0.195,1333 192.058,1334 317.85,1335 460.382,1336 20248,1337 2,1338 18.096,1339 0.696,1340 0.607,1341 18.596,1342 15.793,1343 12.597,1344 0.434,1345 0.323,1346 8.909,1347 11.867,1348 8.629,1349 7.176,1350 12.886,1351 9.378,1352 11.66,1353 0.284,1354 0.183,1355 12.069,1356 7.514,1357 9.504,1358 0.176,1359 0.099,1360 9.74,1361 5.326,1362 8.333,1363 0.114,1364 0.054,1365 8.651,1366 3.918,1367 6.634,1368 0.074,1369 0.03,1370 6.866,1371 2.732,1372 0.303,1373 81.637,1374 0.226,1375 24.956,1376 0.54,1377 140,1378 355.45,1379 167.743,1380 381.678,1381 524.66,1382 358,1383 165,1384 376.666,1385 186.749,1386 394.491,1387 577.97,1388 370,1389 6.8}
{0 CHEMBL1965836,1 1.746,2 13.625,3 5.332,4 28.431,5 114.669,6 8.349,7 0.629,8 4.095,9 4.205,10 3.739,11 3.607,12 5.3,13 3.624,14 4.632,15 4.773,16 4.182,17 3.982,18 6.281,19 3.986,20 4.789,21 4.968,22 4.06,23 4.106,24 5.9,25 4.056,26 4.905,27 5.13,28 4.032,29 4.084,30 6.01,31 4.022,32 4.859,33 5.076,34 4,35 4.01,36 6.054,37 3.968,38 4.817,39 5.033,40 3.972,41 3.942,42 6.01,43 3.903,44 4.789,45 5.026,46 3.814,47 3.841,48 5.938,49 3.793,50 4.626,51 4.851,52 3.82,53 3.753,54 5.953,55 3.711,56 0.195,57 0.984,58 8.79,59 4.893,60 26.868,61 5.369,62 1.245,63 1.79,64 19.29,65 8.009,66 166.141,67 9.261,68 0.592,69 1.572,70 22.586,71 9.691,72 52.001,73 12.047,74 0.683,75 1.723,76 29.296,77 11.027,78 54.716,79 14.336,80 0.803,81 1.758,82 28.326,83 10.376,84 88.926,85 12.436,86 0.753,87 1.624,88 26.85,89 9.776,90 80.77,91 12.05,92 1.035,93 1.508,94 28.808,95 9.038,96 117.822,97 10.82,98 0.751,99 1.401,100 22.666,101 7.905,102 102.185,103 10.188,104 28,105 50,106 0.288,107 0.637,108 0.815,109 0.896,110 0.896,111 0.896,112 3.502,113 0.848,114 -3.61,115 -3.58,116 -3.41,119 43.4,120 1,121 1,125 1,127 1,133 1,142 8,143 4,144 2,145 2,146 1,152 1,163 1,164 1,165 1,168 1,172 11,175 6,180 3,183 14,185 1,187 1,188 9,190 1,191 1,193 3,196 10,198 1,200 7,205 4,208 5,210 2,213 7,218 3,221 3,223 2,225 5,227 2,228 2,230 3,233 3,235 2,237 2,238 3,241 1,243 1,246 4,248 1,249 1,250 3,253 1,255 2,258 6,260 2,264 2,269 2,272 8,274 2,276 1806,277 21.066,278 21.066,279 21.066,280 21.066,281 21.066,282 18.5,283 16.206,284 12.308,285 21.781,286 17.33,287 17.33,288 17.33,289 17.33,290 17.33,291 13.484,292 16.1,293 5.922,294 18.612,295 3.982,296 1.863,297 0.783,298 0.293,299 0.293,300 0.293,301 4.195,305 1,306 1,307 943,308 4.123,311 83.142,312 320.493,315 142.383,319 2.148,320 42.123,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 72.5,332 436,333 4.558,334 4.437,335 6.522,336 4.089,337 3.142,338 4.51,339 4.032,340 10.231,341 3.059,342 4.219,343 3.148,344 6.457,345 3.91,346 3.103,347 3.816,348 0.86,349 10.203,350 2.74,351 4.184,352 2.992,353 6.117,354 3.778,355 2.802,356 3.696,357 0.394,358 8.979,359 2.686,360 3.959,361 2.897,362 5.609,363 3.641,364 2.681,365 3.105,367 7.78,368 2.349,369 3.689,370 2.647,371 5.325,372 3.327,373 2.388,374 3.093,376 6.88,377 2.209,378 3.413,379 2.479,380 5.095,381 3.163,382 2.209,383 2.649,385 6.269,386 2.075,387 3.307,388 2.091,389 4.951,390 2.852,391 1.884,392 2.581,394 5.414,395 1.82,396 3.082,397 2.004,398 4.667,399 2.768,400 1.812,401 2.232,403 5.065,404 1.715,405 2.941,406 1.598,407 4.353,408 2.466,409 1.507,410 2.081,412 4.15,413 1.441,414 2.706,415 1.291,416 4.01,417 2.198,418 1.236,419 1.8,421 3.176,422 1.187,423 2.654,424 1.257,425 3.505,426 2.179,427 1.19,428 1.723,430 2.63,431 1.174,432 2.571,433 1.11,434 3.486,435 2.041,436 1.084,437 1.605,439 2.544,440 1.034,441 2.111,442 0.986,443 3.224,444 1.642,445 0.655,446 0.939,448 1.552,449 0.645,450 1.715,451 0.714,452 3.155,453 1.468,454 0.575,455 0.639,457 1.36,458 0.508,459 1.145,460 0.51,461 3.073,462 0.807,463 -0.099,464 -0.116,466 -0.278,467 -0.085,468 14.624,469 0.457,470 0.993,471 0.031,472 41.5,473 1.297,474 21,475 0.656,476 20.5,477 0.641,478 26.039,479 0.814,480 35.176,481 0.664,482 33.966,483 1.061,484 8.516,485 0.266,486 6.749,487 0.211,488 0.12,489 0.034,490 0.308,495 3,496 0.661,497 0.93,498 0.668,499 1.017,500 0.654,501 0.888,502 0.41,503 0.68,504 0.703,505 0.904,506 0.287,507 0.91,508 0.601,509 0.761,510 0.945,511 1.074,512 0.406,513 1.127,514 0.671,515 0.858,516 0.869,517 1.049,518 0.485,519 1.042,520 1.018,521 1.016,522 1.044,523 1.056,524 0.976,525 1.057,526 0.901,527 0.999,528 0.984,529 1.114,530 0.799,531 1.096,532 1.171,533 0.859,534 1.177,535 0.859,536 1.148,537 0.969,538 0.75,539 0.872,540 0.903,541 1.018,542 0.756,543 1.024,544 8.5,545 0.211,546 3.111,547 2.229,548 1.533,549 1.073,550 0.657,551 0.49,552 0.251,553 0.183,554 16036,555 55227,556 2.056,557 39.6,559 11,561 2,562 3,563 3,564 2,567 1.74,568 1.91,569 3.725,570 0.884,577 92.544,578 1.746,579 3.865,580 4.945,581 5.435,582 5.435,583 5.435,584 3.093,585 4.664,586 4.975,587 3.953,588 1960.66,589 8.67,590 30438.7,595 303.58,596 1.574,597 4.918,598 0.243,599 0.008,600 0.062,601 0.048,602 0.036,603 0.026,604 0.017,605 0.015,606 0.008,607 0.007,608 0.47,609 0.33,610 1,611 0.887,612 171.96,613 -0.043,614 0.014,615 0.024,616 0.012,617 -0.123,618 0.04,619 0.523,620 0.336,621 0.141,622 0.109,623 0.558,624 0.021,625 -0.018,626 -0.03,627 -0.124,628 -0.092,629 -0.005,630 -0.135,631 -0.016,632 -0.13,633 0.062,634 -0.073,635 0.052,636 -0.003,637 -0.126,638 -0.098,639 -0.076,640 -0.068,641 -0.09,642 -0.054,643 -0.056,644 -0.162,645 -0.022,646 -0.146,647 -0.035,648 -0.097,649 -0.146,650 0.059,651 -0.141,652 0.085,653 -0.189,654 0.009,655 0.116,656 0.029,657 0.077,658 -0.051,659 0.116,660 -0.024,661 5.983,662 4.402,663 0.656,664 35.055,665 1.027,666 1.143,667 2.378,668 5.653,669 0.667,670 3.584,671 3.932,672 4.111,673 4.382,674 4.564,675 4.615,676 4.727,677 4.86,678 4.804,679 4.875,680 8.314,681 0.659,682 442.48,683 3.584,684 5.142,685 5.969,686 6.853,687 7.696,688 8.581,689 9.43,690 10.315,691 11.17,692 12.054,693 7.5,694 1,701 1,703 2,708 2,709 10,710 2,711 1,714 6,716 22,733 2,735 53,737 22,738 2,739 35,741 56,742 23,743 18,744 5,745 7,748 4,749 5,754 1,760 2,762 18,763 5,781 3,783 21,784 8,785 3,786 9,792 4,797 0.75,798 2,807 1,809 1,815 1,816 3,819 1,836 1,843 3,847 1,849 3,851 32,852 1,858 2,861 2,863 1,865 1,873 3,874 3.8,879 2,881 16.75,882 9.662,883 6.792,884 2.952,886 4.188,887 1.529,888 0.997,889 6.356,890 12.098,891 3.85,892 4.48,893 5.038,894 5.651,895 6.174,896 6.452,897 6.887,898 7.316,899 7.516,900 7.858,901 0.889,902 46,903 12.343,905 5.688,906 8.138,907 21.785,909 17.71,911 2.638,912 84.417,916 211.88,917 147.192,918 83.009,920 22,921 44.88,923 147.192,924 233.88,925 127.889,926 8.825,927 40.024,928 75.81,929 56.991,930 126.399,931 2.757,932 188.338,933 9.817,934 211.88,935 230.2,936 66.88,939 188.338,940 45.542,941 44.88,942 9.817,943 85.751,944 101.183,945 33.449,947 256.76,948 105.009,949 147.192,952 221.697,953 34.644,954 102.73,955 16.663,956 133.226,957 211.88,958 149.889,959 147.192,961 0.591,962 0.313,963 0.17,964 0.092,965 24,966 11,967 0.125,968 7,969 1,970 1.095,971 4.392,972 281.137,973 0.095,974 21,975 155.245,981 22.128,982 9.192,983 5.799,984 1.926,985 133.226,986 16.909,987 8.48,988 2.966,991 3.749,993 49.56,994 508.96,995 46,1007 54.436,1008 60.583,1009 0.305,1010 0.675,1011 0.863,1012 0.949,1013 0.949,1014 0.949,1015 5.097,1016 1.812,1017 5.989,1018 5.414,1019 4.615,1020 5.168,1021 3.236,1022 6.795,1023 4.494,1024 6.327,1025 1.507,1026 7.547,1027 5.065,1028 4.369,1029 5.027,1030 4.042,1031 7.818,1032 4.093,1033 7.644,1034 1.236,1035 9.204,1036 4.15,1037 6.256,1038 7.392,1039 5.638,1040 10.779,1041 6.007,1042 8.993,1043 1.19,1044 10.917,1045 3.176,1046 6.758,1047 8.033,1048 6.952,1049 12.563,1050 6.359,1051 10.37,1052 1.084,1053 12.667,1054 2.63,1055 8.175,1056 9.913,1057 8.374,1058 15.091,1059 7.792,1060 11.767,1061 0.655,1062 14.44,1063 2.544,1064 9.009,1065 10.954,1066 9.758,1067 17.182,1068 8.506,1069 13.179,1070 0.575,1071 16.231,1072 1.552,1073 10.243,1074 12.617,1075 11.156,1076 19.566,1077 9.734,1078 3.142,1079 -0.099,1080 18.035,1081 1.36,1082 11.232,1083 13.873,1084 12.548,1085 21.785,1086 10.634,1087 3.103,1088 10.231,1089 19.85,1090 -0.278,1091 12.393,1092 15.434,1093 13.943,1094 24.119,1095 11.774,1096 2.802,1097 10.203,1098 21.673,1099 4.51,1100 13.454,1101 16.806,1102 15.337,1103 26.392,1104 12.767,1105 2.681,1106 8.979,1107 23.503,1108 3.816,1109 14.589,1110 18.323,1111 16.732,1112 28.711,1113 13.872,1114 2.388,1115 7.78,1116 25.338,1117 3.696,1118 15.683,1119 19.755,1120 18.126,1121 31.008,1122 14.914,1123 2.209,1124 6.88,1125 27.178,1126 3.105,1127 16.81,1128 21.256,1129 19.52,1130 33.324,1131 16.008,1132 1.884,1133 6.269,1134 29.021,1135 3.093,1136 17.921,1137 22.72,1138 20.915,1139 35.632,1140 17.076,1141 15224,1142 28546,1143 23.057,1144 35.358,1145 53.417,1146 52.844,1147 53.384,1148 52.807,1149 52.534,1150 68.935,1151 10.572,1152 152.468,1153 49.284,1154 5.457,1155 6.437,1156 6.075,1157 5.157,1158 5.142,1159 7.51,1160 5.542,1161 16.757,1162 5.059,1163 17.434,1164 1.526,1165 1.51,1166 1.525,1167 1.509,1168 1.501,1169 1.97,1170 0.302,1171 4.356,1172 1.408,1173 4.124,1174 4.16,1175 4.089,1176 4.034,1177 8.516,1178 4.042,1179 3.946,1180 3.973,1181 3.886,1182 3.867,1183 7.999,1184 3.865,1185 3.843,1186 3.878,1187 3.799,1188 3.716,1189 7.999,1190 3.732,1191 3.59,1192 3.649,1193 3.507,1194 3.41,1195 5.096,1196 3.414,1197 3.415,1198 3.467,1199 3.401,1200 3.254,1201 5.023,1202 3.256,1203 3.385,1204 3.426,1205 3.296,1206 2.962,1207 4.909,1208 3.062,1209 3.058,1210 3.13,1211 2.931,1212 2.892,1213 4.786,1214 2.897,1215 2.978,1216 3.055,1217 2.838,1218 2.793,1219 4.399,1220 2.79,1221 0.13,1222 0.127,1223 0.186,1224 0.117,1225 0.09,1226 4.558,1227 0.129,1228 4.437,1229 0.115,1230 6.522,1231 0.292,1232 4.089,1233 0.087,1234 3.142,1235 4.51,1236 4.032,1237 10.231,1238 3.059,1239 1.988,1240 1.969,1241 2.064,1242 2.062,1243 1.259,1244 2.063,1245 1.918,1246 1.894,1247 2.039,1248 2.018,1249 1.213,1250 2.025,1251 1.734,1252 1.707,1253 1.846,1254 1.872,1255 0.965,1256 1.865,1257 1.544,1258 1.486,1259 1.758,1260 1.773,1261 0.898,1262 1.761,1263 1.49,1264 1.415,1265 1.697,1266 1.745,1267 0.733,1268 1.733,1269 1.075,1270 1.055,1271 1.302,1272 1.529,1273 0.491,1274 1.391,1275 1.032,1276 0.991,1277 1.231,1278 1.287,1279 0.249,1280 1.29,1281 0.954,1282 0.885,1283 1.153,1284 1.216,1285 0.198,1286 1.233,1287 4.263,1289 5.602,1290 2.398,1291 7.109,1292 4.727,1293 8.691,1294 6.804,1295 10.315,1297 1.962,1299 37.205,1301 6.128,1303 0.508,1306 9.743,1308 -0.426,1310 -4.733,1314 34.933,1315 92.544,1316 204.851,1317 262.07,1318 288.07,1319 288.07,1320 288.07,1321 63.735,1322 7.91,1323 86.05,1324 86.05,1325 23,1326 12.593,1327 4.524,1328 3.585,1329 52.232,1330 163,1331 132,1332 0.154,1333 211.311,1334 366.81,1335 507.359,1336 35310,1337 5.7,1338 22.717,1339 0.71,1340 0.537,1341 20.217,1342 17.187,1343 15.265,1344 0.436,1345 0.283,1346 9.703,1347 14.48,1348 9.519,1349 7.868,1350 14.119,1351 9.899,1352 14.926,1353 0.299,1354 0.149,1355 12.57,1356 7.46,1357 10.898,1358 0.182,1359 0.081,1360 10.575,1361 4.885,1362 9.374,1363 0.119,1364 0.043,1365 8.694,1366 3.408,1367 7.347,1368 0.077,1369 0.024,1370 6.981,1371 2.243,1372 0.25,1373 97.207,1374 0.208,1375 30.548,1376 0.397,1377 170,1378 694.74,1379 202.448,1380 587.737,1381 775.86,1382 546,1383 195,1384 554.925,1385 217.561,1386 542.195,1387 808.64,1388 506,1389 6.6}
{0 CHEMBL1965845,1 1.505,2 12.393,3 2.809,4 7.889,5 109.69,6 7.24,7 0.516,8 4.049,9 4.173,10 3.598,11 3.579,12 5.125,13 3.56,14 4.587,15 4.766,16 3.945,17 3.976,18 5.622,19 3.932,20 4.808,21 5.012,22 3.992,23 4.121,24 5.775,25 4.047,26 4.898,27 5.111,28 3.928,29 4.122,30 5.917,31 4.026,32 4.946,33 5.2,34 3.815,35 4.059,36 5.885,37 3.939,38 4.846,39 5.102,40 3.697,41 3.965,42 5.734,43 3.839,44 4.778,45 5.055,46 3.604,47 3.864,48 5.709,49 3.722,50 4.624,51 4.902,52 3.505,53 3.7,54 5.56,55 3.575,56 0.026,57 0.774,58 10.997,59 4.588,60 8.653,61 6.19,62 0.314,63 1.243,64 20.804,65 7.656,66 26.32,67 10.563,68 0.198,69 1.485,70 26.497,71 9.799,72 28.249,73 13.726,74 0.273,75 1.556,76 29.76,77 10.541,78 47.816,79 14.706,80 0.415,81 1.544,82 32.991,83 10.972,84 56.775,85 15.736,86 0.337,87 1.413,88 29.683,89 9.988,90 40.525,91 14.366,92 0.42,93 1.289,94 28.24,95 9.581,96 47.697,97 14.137,98 0.267,99 1.076,100 24.291,101 8.464,102 37.833,103 12.265,104 11,105 43,106 0.25,107 0.646,108 0.847,109 0.897,110 0.897,111 0.897,112 3.374,113 0.916,114 -3.7,115 -3.66,116 -3.49,119 42.3,120 1,121 1,124 1,125 2,127 1,135 1,136 1,142 6,143 3,144 1,145 1,151 1,159 1,161 1,172 10,174 1,175 6,178 3,180 4,183 11,188 5,193 4,196 8,200 9,205 6,208 4,213 9,216 1,218 2,221 3,225 4,228 1,230 1,233 4,237 3,238 4,243 1,246 6,250 1,253 1,254 1,255 1,258 6,263 1,264 3,267 1,269 1,272 7,276 1212,277 19.231,278 19.231,279 19.231,280 19.231,281 19.231,282 17.024,283 19.002,284 11.285,285 19.685,286 15.225,287 15.225,288 15.225,289 15.225,290 15.225,291 11.817,292 23.993,293 5.246,294 15.831,295 4.195,296 1.81,297 0.597,298 0.298,299 0.298,300 0.298,301 4.072,304 1,305 1,306 1,307 760,308 3.391,311 67.54,312 278.41,315 126.423,319 2.008,320 20.61,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 60,332 347,333 4.59,334 3.703,335 6.707,336 4.138,337 3.155,338 4.518,339 1.709,340 10.888,341 3.103,342 4.172,343 3.204,344 6.151,345 3.88,346 2.912,347 3.723,348 0.86,349 9.024,350 2.823,351 3.993,352 3.094,353 5.954,354 3.686,355 2.727,356 3.313,357 0.748,358 8.388,359 2.605,360 3.793,361 2.712,362 5.712,363 3.379,364 2.409,365 3.07,366 0.522,367 7.612,368 2.334,369 3.505,370 2.655,371 5.246,372 3.208,373 2.263,374 2.733,375 0.074,376 6.545,377 2.129,378 3.096,379 2.202,380 4.633,381 2.639,382 1.67,383 2.326,385 4.649,386 1.61,387 3.044,388 1.621,389 4.342,390 2.511,391 1.546,392 2.29,394 4.042,395 1.488,396 2.783,397 1.588,398 4.041,399 2.402,400 1.445,401 1.871,403 3.503,404 1.377,405 2.642,406 1.543,407 3.748,408 2.218,409 1.235,410 1.67,412 2.832,413 1.207,414 2.51,415 1.388,416 3.561,417 2.026,418 1.052,419 1.482,421 2.564,422 1.023,423 2.276,424 1.15,425 3.458,426 1.984,427 1,428 1.156,430 2.275,431 0.983,432 2.091,433 1.084,434 3.414,435 1.895,436 0.901,437 1.04,439 2.239,440 0.889,441 1.946,442 0.935,443 3.086,444 1.443,445 0.497,446 0.711,448 1.19,449 0.469,450 1.583,451 0.557,452 2.704,453 1.292,454 0.427,455 0.479,457 0.621,458 0.366,459 0.845,460 0.31,461 2.6,462 0.589,463 -0.376,464 -0.404,466 -0.936,467 -0.362,468 13.267,469 0.474,470 0.606,471 0.022,472 36,473 1.286,474 17.5,475 0.625,476 18.5,477 0.661,478 22.883,479 0.817,480 29.933,481 0.576,482 26.346,483 0.941,484 7.302,485 0.261,486 6.35,487 0.227,488 0.101,490 0.332,496 0.841,497 1.361,498 0.808,499 1.103,500 0.623,501 0.969,502 0.922,503 0.955,504 0.899,505 0.886,506 0.62,507 0.887,508 1,509 1.151,510 0.998,511 1.072,512 0.912,513 1.036,514 1.237,515 1.192,516 1.172,517 1.176,518 1.557,519 1.166,520 1.196,521 1.002,522 1.073,523 0.988,524 1.454,525 1.011,526 1.123,527 1.007,528 1.089,529 1.023,530 1.061,531 1.046,532 0.672,533 0.879,534 0.907,535 0.938,536 0.876,537 0.947,538 0.782,539 0.887,540 0.775,541 0.913,542 1.117,543 0.859,544 5,545 0.148,546 3.556,547 1.819,548 1.352,549 0.91,550 0.43,551 0.354,552 0.255,553 0.157,554 10932,555 27125,556 2.115,557 46.2,559 15,560 1,561 1,562 2,564 5,567 1.705,568 2,569 3.589,570 0.212,571 1,572 1,577 78.276,578 1.505,579 3.89,580 5.104,581 5.402,582 5.402,583 5.402,584 3.053,585 4.495,586 4.78,587 3.756,588 1419.69,589 8.282,590 19280.6,592 1,594 1,595 296.423,596 1.333,597 4.748,598 0.161,599 0.007,600 0.083,601 0.041,602 0.035,603 0.027,604 0.014,605 0.013,606 0.01,607 0.007,608 0.399,609 0.33,610 1,611 0.689,612 142.657,613 -0.037,614 -0.172,615 0.059,616 -0.055,617 -0.033,618 0.005,619 0.094,620 0.166,621 0.038,622 0.107,623 0.075,624 0.067,625 -0.096,626 -0.099,627 -0.057,628 -0.071,629 -0.057,630 -0.059,631 -0.162,632 -0.175,633 -0.204,634 -0.193,635 -0.163,636 -0.202,637 -0.088,638 -0.05,639 -0.065,640 -0.027,641 -0.098,642 -0.042,643 -0.1,644 -0.046,645 -0.091,646 -0.063,647 -0.061,648 -0.074,649 0.208,650 0.051,651 0.095,652 0.026,653 0.136,654 0.045,655 0.165,656 0.003,657 0.238,658 0.065,659 0.131,660 0.146,661 1.716,662 5.68,663 0.75,664 27.663,665 0.998,666 1.126,667 2.465,668 6.078,669 0.664,670 3.466,671 3.784,672 4.078,673 4.317,674 4.511,675 4.543,676 4.663,677 4.736,678 4.779,679 4.844,680 7.232,681 0.63,682 376.5,683 3.466,684 5.004,685 5.861,686 6.735,687 7.605,688 8.483,689 9.359,690 10.239,691 11.118,692 11.999,693 7.7,700 2,701 1,703 1,708 2,709 8,710 1,711 1,714 3,716 16,733 1,735 52,737 18,738 1,739 31,741 55,742 22,743 13,744 2,745 4,746 2,748 4,749 5,753 1,754 1,757 1,760 2,762 16,763 6,767 2,772 1,774 1,776 2,780 1,783 24,784 5,785 2,786 6,792 4,797 0.75,798 2,809 1,811 1,815 1,816 3,819 1,834 1,835 1,843 3,847 2,851 28,858 3,860 1,861 1,863 1,864 1,874 3.8,877 1,879 1,881 14,882 9.817,883 6.222,884 3.082,886 3.274,887 1.43,888 0.996,889 5.465,890 10.883,891 3.738,892 4.327,893 4.923,894 5.492,895 5.967,896 6.196,897 6.541,898 6.836,899 6.87,900 7.144,901 1,902 44,903 10.349,905 4.363,906 7.643,907 19.978,909 16.411,911 2.143,912 60,915 1,916 258.964,917 134.247,918 54.706,920 36.145,923 134.247,924 295.109,925 54.706,926 19.708,927 27.881,928 75.381,929 55.417,930 54.206,931 16.047,932 235.422,934 258.964,935 188.953,936 36.145,939 200.109,940 95,943 64.254,944 98.437,945 26.262,947 258.964,948 90.851,949 134.247,952 258.964,953 30.11,954 107.261,955 34.796,956 52.93,957 258.964,958 90.851,959 134.247,961 0.579,962 0.35,963 0.187,964 0.098,965 21,966 9,967 0.073,968 4,969 1,970 1.095,971 4.062,972 239.541,973 0.095,974 21,975 134.606,981 18.727,982 8.171,983 3.988,984 2.018,985 74.065,986 15.582,987 4.347,988 3.218,991 2.984,993 34.796,994 484.062,995 41,1000 12.68,1002 2.134,1004 1.204,1007 51.898,1008 58.564,1009 0.264,1010 0.682,1011 0.895,1012 0.948,1013 0.948,1014 0.948,1015 4.97,1016 1.445,1017 5.838,1018 4.042,1019 4.466,1020 5.014,1021 2.198,1022 6.645,1023 4.396,1024 6.168,1025 1.235,1026 7.396,1027 3.503,1028 4.007,1029 4.771,1030 1.305,1031 7.545,1032 3.917,1033 7.471,1034 1.052,1035 9.054,1036 2.832,1037 6.057,1038 7.209,1039 2.655,1040 10.638,1041 5.928,1042 8.811,1043 1,1044 10.773,1045 2.564,1046 6.447,1047 7.849,1048 2.487,1049 12.379,1050 6.301,1051 10.186,1052 0.901,1053 12.529,1054 2.275,1055 7.937,1056 9.738,1057 3.452,1058 14.979,1059 7.761,1060 11.585,1061 0.497,1062 14.312,1063 2.239,1064 8.712,1065 10.809,1066 3.634,1067 17.065,1068 8.521,1069 13.003,1070 0.427,1071 16.114,1072 1.19,1073 9.975,1074 12.468,1075 4.404,1076 19.502,1077 9.76,1078 3.155,1079 -0.376,1080 17.929,1081 0.621,1082 10.931,1083 13.758,1084 4.754,1085 21.742,1086 10.702,1087 2.912,1088 10.888,1089 19.756,1090 -0.936,1091 12.102,1092 15.319,1093 5.419,1094 24.128,1095 11.853,1096 2.727,1097 9.024,1098 21.59,1099 4.518,1100 13.144,1101 16.719,1102 5.855,1103 26.439,1104 12.881,1105 2.409,1106 8.388,1107 23.433,1108 3.723,1109 14.28,1110 18.241,1111 6.463,1112 28.812,1113 14,1114 2.263,1115 7.612,1116 25.281,1117 3.313,1118 15.363,1119 19.694,1120 6.943,1121 31.158,1122 15.069,1123 1.67,1124 6.545,1125 27.135,1126 3.07,1127 16.488,1128 21.202,1129 7.52,1130 33.53,1131 16.179,1132 1.546,1133 4.649,1134 28.993,1135 2.733,1136 17.593,1137 22.681,1138 8.025,1139 35.894,1140 17.27,1141 10278,1142 16295,1143 20.978,1144 34.546,1145 47.017,1146 47.599,1147 47.976,1148 46.395,1149 46.477,1150 60.768,1151 7.825,1152 132.739,1153 44.809,1154 5.541,1155 5.703,1156 6.388,1157 5.184,1158 5.155,1159 7.518,1160 2.988,1161 18.019,1162 5.103,1163 11.898,1164 1.517,1165 1.535,1166 1.548,1167 1.497,1168 1.499,1169 1.96,1170 0.252,1171 4.282,1172 1.445,1173 4.126,1174 4.165,1175 4.088,1176 4.023,1177 7.429,1178 4.034,1179 3.947,1180 3.978,1181 3.885,1182 3.866,1183 5.065,1184 3.866,1185 3.803,1186 3.855,1187 3.722,1188 3.652,1189 4.866,1190 3.659,1191 3.518,1192 3.575,1193 3.423,1194 3.329,1195 4.47,1196 3.341,1197 3.371,1198 3.436,1199 3.257,1200 3.215,1201 4.406,1202 3.217,1203 3.236,1204 3.302,1205 3.097,1206 2.962,1207 4.272,1208 2.984,1209 3.158,1210 3.219,1211 2.991,1212 2.917,1213 4.108,1214 2.934,1215 3.039,1216 3.131,1217 2.812,1218 2.873,1219 3.875,1220 2.845,1221 0.148,1222 0.119,1223 0.216,1224 0.133,1225 0.102,1226 4.59,1227 0.146,1228 3.703,1229 0.055,1230 6.707,1231 0.351,1232 4.138,1233 0.1,1234 3.155,1235 4.518,1236 1.709,1237 10.888,1238 3.103,1239 1.93,1240 1.901,1241 2.046,1242 2.05,1243 1.303,1244 2.049,1245 1.911,1246 1.886,1247 2.023,1248 2.01,1249 1.194,1250 2.013,1251 1.779,1252 1.73,1253 1.912,1254 1.955,1255 1.015,1256 1.945,1257 1.493,1258 1.434,1259 1.728,1260 1.726,1261 0.833,1262 1.72,1263 1.398,1264 1.329,1265 1.581,1266 1.63,1267 0.696,1268 1.629,1269 1.185,1270 1.11,1271 1.563,1272 1.491,1273 0.644,1274 1.515,1275 1.097,1276 1.039,1277 1.433,1278 1.368,1279 0.57,1280 1.367,1281 1.08,1282 0.993,1283 1.292,1284 1.296,1285 0.361,1286 1.336,1287 4.143,1289 5.46,1290 2.398,1291 6.976,1292 4.727,1293 8.577,1294 6.843,1295 10.219,1297 3.626,1303 2.108,1305 3.082,1306 5.266,1308 -0.09,1309 1.841,1314 32.783,1315 78.276,1316 202.278,1317 265.403,1318 280.913,1319 280.913,1320 280.913,1321 41.432,1322 7.609,1323 70.25,1324 70.25,1325 23,1326 12.535,1327 4.248,1328 3.459,1329 42.73,1330 123,1331 114,1332 0.169,1333 201.051,1334 344.84,1335 482.326,1336 22542,1338 19.51,1339 0.697,1340 0.575,1341 19.51,1342 16.106,1343 13.652,1344 0.44,1345 0.305,1346 9.327,1347 13.129,1348 9.067,1349 7.534,1350 13.652,1351 9.464,1352 12.016,1353 0.279,1354 0.162,1355 12.016,1356 6.975,1357 10.564,1358 0.182,1359 0.09,1360 10.564,1361 5.227,1362 8.698,1363 0.118,1364 0.049,1365 8.698,1366 3.591,1367 6.84,1368 0.076,1369 0.027,1370 6.84,1371 2.429,1372 0.271,1373 85.497,1374 0.218,1375 27.141,1376 0.445,1377 148,1378 405.427,1379 161.224,1380 392.387,1381 543.56,1382 370,1383 175,1384 403.407,1385 188.144,1386 410.586,1387 599.35,1388 386,1389 5.8}
{0 CHEMBL1965910,1 1.397,2 13.514,3 5.249,4 27.548,5 141.865,6 6.877,7 0.55,8 4.315,9 4.445,10 3.835,11 3.872,12 5.295,13 3.836,14 4.896,15 5.08,16 4.2,17 4.308,18 5.8,19 4.242,20 5.195,21 5.432,22 4.237,23 4.458,24 5.995,25 4.351,26 5.254,27 5.505,28 4.231,29 4.478,30 6.061,31 4.357,32 5.279,33 5.537,34 4.194,35 4.492,36 6.058,37 4.358,38 5.235,39 5.492,40 4.18,41 4.445,42 6.055,43 4.318,44 5.177,45 5.435,46 4.134,47 4.378,48 6.048,49 4.253,50 5.118,51 5.374,52 4.022,53 4.318,54 5.932,55 4.188,56 0.066,57 1.019,58 15.424,59 6.308,60 11.662,61 8.832,62 0.283,63 1.725,64 29.169,65 11.02,66 26.39,67 15.592,68 0.311,69 2.158,70 40.72,71 14.791,72 32.521,73 21.552,74 0.413,75 2.241,76 43.704,77 16.063,78 41.648,79 23.245,80 0.378,81 2.271,82 44.881,83 16.535,84 40.654,85 24.103,86 0.378,87 2.196,88 42.936,89 15.476,90 41.46,91 22.822,92 0.506,93 2.09,94 40.722,95 14.127,96 50.876,97 21.07,98 0.338,99 1.935,100 38.318,101 13.548,102 38.691,103 19.871,104 2,105 56,106 0.219,107 0.542,108 0.705,109 0.8,110 0.833,111 0.833,112 3.589,113 0.966,114 -6.13,115 -5.98,116 -5.56,119 42.6,121 6,125 3,127 2,142 9,143 4,144 1,147 1,148 1,151 1,161 1,163 1,164 1,165 1,172 15,174 2,175 13,177 1,178 1,180 1,183 15,185 1,188 11,193 1,196 10,198 1,199 1,200 10,202 2,203 2,205 1,208 12,210 1,212 1,213 9,218 2,221 17,223 2,224 1,225 5,230 3,233 16,235 3,237 3,238 8,240 1,241 1,243 3,246 17,248 3,250 4,258 12,263 1,264 10,266 1,267 1,269 1,272 10,274 1,276 2466,277 24.499,278 24.499,279 24.499,280 24.499,281 24.499,282 21.917,283 26.71,284 14.608,285 24.972,286 19.807,287 19.807,288 19.807,289 19.807,290 19.807,291 15.933,292 30.133,293 6.972,294 20.599,295 4.691,296 2.625,297 1.582,298 0.971,299 0.765,300 0.765,301 4.311,306 1,307 1066,308 2.739,311 170.388,312 411.631,315 141.485,319 2.245,320 19.691,323 0.75,324 0.5,325 1,326 0.8,327 0.5,328 1,329 1,330 0.79,331 73.5,332 473,333 4.762,334 3.39,335 7.05,336 4.311,337 3.346,338 4.732,339 1.151,340 12.145,341 3.234,342 4.108,343 3.112,344 6.264,345 3.842,346 2.888,347 3.714,348 0.8,349 9.346,350 2.759,351 3.923,352 3.007,353 6.127,354 3.693,355 2.736,356 3.443,358 8.98,359 2.617,360 3.888,361 2.776,362 5.843,363 3.535,364 2.578,365 3.233,367 8.032,368 2.492,369 3.775,370 2.64,371 5.394,372 3.475,373 2.494,374 2.914,376 7.063,377 2.417,378 3.549,379 2.362,380 5.224,381 3.145,382 2.194,383 2.85,385 6.522,386 2.075,387 3.191,388 2.067,389 5.068,390 2.951,391 1.995,392 2.305,394 5.682,395 1.903,396 3.007,397 1.783,398 4.508,399 2.668,400 1.705,401 2.223,403 4.558,404 1.638,405 2.904,406 1.688,407 4.414,408 2.527,409 1.564,410 2.073,412 4.066,413 1.506,414 2.81,415 1.524,416 4.128,417 2.43,418 1.457,419 1.839,421 3.154,422 1.411,423 2.692,424 1.256,425 3.66,426 2.192,427 1.22,428 1.78,430 3.135,431 1.182,432 2.5,433 1.157,434 3.611,435 2.061,436 1.109,437 1.5,439 2.685,440 1.053,441 2.484,442 1,443 3.471,444 2,445 1,446 1.478,448 2.275,449 1,450 2.255,451 1,452 3.414,453 2,454 1,455 1.188,457 2.274,458 1,459 2,460 0.964,461 3.271,462 1.885,463 0.918,464 1,466 2.136,467 0.886,468 16.833,469 0.481,470 0.671,471 0.019,472 44.25,473 1.264,474 21,475 0.6,476 23.25,477 0.664,478 33.828,479 0.967,480 37.167,481 0.547,482 32.508,483 0.929,484 8.097,485 0.231,486 9.162,487 0.262,488 0.024,490 0.315,496 0.946,497 1.32,498 0.854,499 1.087,500 0.945,501 0.979,502 1.139,503 1.078,504 0.989,505 1.023,506 0.713,507 0.997,508 1.123,509 1.096,510 0.999,511 1.03,512 0.744,513 1.005,514 1.022,515 0.973,516 0.964,517 0.987,518 0.81,519 0.975,520 1.001,521 0.972,522 0.977,523 0.978,524 0.866,525 0.976,526 0.954,527 1.053,528 0.965,529 0.997,530 1.094,531 0.983,532 0.886,533 0.979,534 0.989,535 0.964,536 1.128,537 0.976,538 1.226,539 0.99,540 1.051,541 0.981,542 1.339,543 0.994,544 5,545 0.202,546 3.556,547 1.944,548 1.879,549 1.105,550 0.67,551 0.503,552 0.343,553 0.301,554 20018,555 39796,556 2.227,557 48.5,559 17,560 1,561 1,562 2,564 12,567 1.769,568 2.165,569 3.686,570 0.105,577 94.991,578 1.397,579 3.462,580 4.506,581 5.117,582 5.323,583 5.323,584 3.194,585 4.558,586 5.093,587 3.877,588 2306.76,589 8.958,590 35812.6,595 413.947,596 1.069,597 5.093,598 0.125,599 0.005,600 0.063,601 0.035,602 0.034,603 0.021,604 0.013,605 0.01,606 0.008,607 0.007,608 0.322,609 0.17,610 0.63,611 0.293,612 189.217,613 0.002,614 -0.134,615 0.079,616 -0.025,617 0.022,618 0.026,619 0.024,620 0.044,621 -0.017,622 -0.014,623 0.143,624 -0.02,625 -0.064,626 -0.072,627 -0.015,628 -0.041,629 0.087,630 -0.024,631 0.041,632 0.021,633 0.025,634 -0.001,635 0.126,636 0.007,637 -0.03,638 0.008,639 0.006,640 0.011,641 0.05,642 0.012,643 0.023,644 -0.06,645 0.021,646 -0.016,647 -0.008,649 0.158,650 0.04,651 0.005,652 -0.002,653 0.06,654 -0.009,655 -0.121,656 0.006,657 -0.056,658 -0.007,659 -0.199,660 -0.02,661 1.134,662 2.606,663 0.914,664 43.489,665 0.988,666 1.125,667 4.904,668 24.052,669 0.664,670 3.714,671 4.043,672 4.369,673 4.682,674 4.927,675 5.069,676 5.273,677 5.46,678 5.624,679 5.768,680 7.803,681 0.621,682 467.67,683 3.714,684 5.263,685 6.133,686 7.022,687 7.911,688 8.81,689 9.709,690 10.615,691 11.522,692 12.433,693 7.4,696 1,697 1,701 1,703 2,708 2,709 11,710 2,714 5,715 1,716 22,727 1,733 1,735 68,737 22,738 2,739 40,741 73,742 29,743 18,744 3,745 9,748 6,749 7,757 8,760 8,762 18,763 11,783 33,784 5,785 2,786 6,792 5,797 0.833,798 1,810 1,811 1,812 1,815 2,816 4,819 1,839 1,843 5,851 35,852 1,858 9,861 1,863 2,864 1,874 1.5,879 1,881 16.167,882 11.883,883 7.611,884 4.433,886 4.063,887 1.467,888 1.023,889 6.452,890 12.756,891 3.951,892 4.546,893 5.168,894 5.795,895 6.353,896 6.701,897 7.174,898 7.639,899 7.979,900 8.342,901 1,902 56,903 12.984,905 5.599,906 7.424,907 25.884,909 22.404,911 1.924,912 67.333,916 364.904,917 148.38,918 71.492,920 11,923 148.38,924 375.904,925 71.492,927 24.011,928 127.231,929 47.057,930 42.015,931 14.099,932 341.362,934 364.904,935 219.871,936 11,939 223.651,940 152.253,943 39.368,944 146.932,945 33.571,947 364.904,948 82.492,949 148.38,952 364.904,953 45.427,954 107.976,956 77.468,957 364.904,958 82.492,959 148.38,961 0.578,962 0.344,963 0.195,964 0.105,965 29,966 11,967 0.082,968 6,969 1,970 1.063,971 4.688,972 348.95,973 0.063,974 32,975 167.525,981 22.573,982 10.003,983 4.675,984 1.877,985 80.592,986 22.332,987 9.019,991 4.673,992 2.362,993 32.897,994 595.775,995 51,1007 67.207,1008 76.514,1009 0.229,1010 0.569,1011 0.74,1012 0.841,1013 0.874,1014 0.874,1015 5.196,1016 1.705,1017 6.103,1018 5.682,1019 4.727,1020 5.234,1021 1.528,1022 6.929,1023 4.651,1024 6.377,1025 1.564,1026 7.661,1027 4.558,1028 4.205,1029 4.945,1030 0.325,1031 7.856,1032 4.079,1033 7.675,1034 1.457,1035 9.324,1036 4.066,1037 6.323,1038 7.427,1039 1.603,1040 11.011,1041 6.17,1042 9.012,1043 1.22,1044 11.053,1045 3.154,1046 6.698,1047 8.076,1048 0.268,1049 12.846,1050 6.496,1051 10.389,1052 1.109,1053 12.826,1054 3.135,1055 8.224,1056 9.992,1057 1.778,1058 15.517,1059 7.999,1060 11.795,1061 1,1062 14.631,1063 2.685,1064 9.019,1065 11.104,1066 0.188,1067 17.728,1068 8.747,1069 13.225,1070 1,1071 16.46,1072 2.275,1073 10.314,1074 12.793,1075 1.991,1076 20.256,1077 10.017,1078 3.346,1079 0.918,1080 18.307,1081 2.274,1082 11.312,1083 14.137,1084 0.125,1085 22.628,1086 10.973,1087 2.888,1088 12.145,1089 20.168,1090 2.136,1091 12.521,1092 15.734,1093 2.225,1094 25.119,1095 12.154,1096 2.736,1097 9.346,1098 22.042,1099 4.732,1100 13.616,1101 17.191,1102 0.082,1103 27.559,1104 13.212,1105 2.578,1106 8.98,1107 23.926,1108 3.714,1109 14.8,1110 18.755,1111 2.473,1112 30.045,1113 14.365,1114 2.494,1115 8.032,1116 25.818,1117 3.443,1118 15.943,1119 20.264,1120 0.054,1121 32.514,1122 15.473,1123 2.194,1124 7.063,1125 27.719,1126 3.233,1127 17.124,1128 21.817,1129 2.73,1130 35.002,1131 16.622,1132 1.995,1133 6.522,1134 29.625,1135 2.914,1136 18.292,1137 23.35,1138 0.035,1139 37.485,1140 17.757,1141 18133,1142 25794,1143 28.027,1144 45.143,1145 60.354,1146 60.544,1147 60.752,1148 60.408,1149 60.363,1150 76.836,1151 3.902,1152 173.523,1153 58.068,1154 5.762,1155 5.39,1156 6.852,1157 5.385,1158 5.346,1159 7.732,1160 2.302,1161 19.682,1162 5.234,1163 7.736,1164 1.509,1165 1.514,1166 1.519,1167 1.51,1168 1.509,1169 1.921,1170 0.098,1171 4.338,1172 1.452,1173 4.166,1174 4.207,1175 4.137,1176 4.053,1177 5.235,1178 4.068,1179 3.92,1180 3.975,1181 3.851,1182 3.847,1183 4.886,1184 3.842,1185 3.915,1186 3.948,1187 3.805,1188 3.793,1189 4.787,1190 3.789,1191 3.815,1192 3.848,1193 3.748,1194 3.713,1195 4.708,1196 3.719,1197 3.69,1198 3.755,1199 3.552,1200 3.558,1201 4.429,1202 3.546,1203 3.346,1204 3.423,1205 3.262,1206 3.127,1207 4.35,1208 3.153,1209 3.224,1210 3.27,1211 3.1,1212 3.039,1213 4.24,1214 3.043,1215 3.111,1216 3.206,1217 2.952,1218 2.941,1219 4.047,1220 2.918,1221 0.119,1222 0.085,1223 0.176,1224 0.108,1225 0.084,1226 4.762,1227 0.118,1228 3.39,1229 0.029,1230 7.05,1231 0.304,1232 4.311,1233 0.081,1234 3.346,1235 4.732,1236 1.151,1237 12.145,1238 3.234,1239 1.945,1240 1.926,1241 2.096,1242 2.084,1243 1.503,1244 2.087,1245 1.914,1246 1.868,1247 2.046,1248 2.034,1249 1.211,1250 2.036,1251 1.892,1252 1.857,1253 2.002,1254 1.977,1255 1.16,1256 1.987,1257 1.735,1258 1.692,1259 1.86,1260 1.905,1261 1.118,1262 1.891,1263 1.577,1264 1.507,1265 1.812,1266 1.751,1267 1.037,1268 1.793,1269 1.491,1270 1.428,1271 1.686,1272 1.709,1273 0.866,1274 1.705,1275 1.31,1276 1.242,1277 1.52,1278 1.522,1279 0.825,1280 1.529,1281 1.181,1282 1.13,1283 1.513,1284 1.41,1285 0.749,1286 1.429,1287 4.394,1289 5.72,1290 3.045,1291 7.245,1292 5.352,1293 8.86,1294 7.455,1295 10.523,1301 6.412,1303 10.662,1306 6.106,1308 1.185,1309 2.705,1314 42.197,1315 94.991,1316 235.416,1317 306.399,1318 347.947,1319 361.947,1320 361.947,1321 46.97,1322 8.692,1323 69.2,1324 69.2,1325 34,1326 12.949,1327 4.524,1328 3.585,1329 47.009,1330 158,1331 183,1332 0.14,1333 253.282,1334 429.89,1335 609.767,1336 83649,1338 23.614,1339 0.675,1340 0.576,1341 23.614,1342 20.144,1343 17.259,1344 0.431,1345 0.322,1346 12.753,1347 16.768,1348 12.519,1349 10.312,1350 17.259,1351 12.883,1352 15.306,1353 0.273,1354 0.177,1355 15.306,1356 9.915,1357 13.562,1358 0.174,1359 0.099,1360 13.562,1361 7.749,1362 11.821,1363 0.11,1364 0.055,1365 11.821,1366 5.908,1367 9.551,1368 0.07,1369 0.03,1370 9.551,1371 4.116,1372 0.221,1373 106.772,1374 0.189,1375 32.322,1376 0.382,1377 192,1378 437.628,1379 205.34,1380 431.795,1381 615.69,1382 410,1383 230,1384 474.215,1385 244.645,1386 482.832,1387 712.9,1388 457,1389 5.9}
{0 CHEMBL1965988,1 1.587,2 13.742,3 3.728,4 13.894,5 127.847,6 8.222,7 0.647,8 4.051,9 4.172,10 3.734,11 3.686,12 5.249,13 3.646,14 4.501,15 4.649,16 4.083,17 4.066,18 5.688,19 3.995,20 4.7,21 4.873,22 4.145,23 4.175,24 5.829,25 4.088,26 4.755,27 4.945,28 4.183,29 4.165,30 5.893,31 4.068,32 4.751,33 4.947,34 4.032,35 4.094,36 5.909,37 3.989,38 4.693,39 4.908,40 3.935,41 3.994,42 5.844,43 3.895,44 4.593,45 4.799,46 3.744,47 3.909,48 5.692,49 3.805,50 4.515,51 4.743,52 3.644,53 3.829,54 5.569,55 3.702,56 0.057,57 0.776,58 9.537,59 4.279,60 13.895,61 5.147,62 0.21,63 1.192,64 17.461,65 7.679,66 27.305,67 9.531,68 0.141,69 1.418,70 21.705,71 9.202,72 32.027,73 11.317,74 0.122,75 1.499,76 26.145,77 10.267,78 29.506,79 12.85,80 0.232,81 1.47,82 28.432,83 10.391,84 46.45,85 12.009,86 0.267,87 1.399,88 27.949,89 9.636,90 48.867,91 11.57,92 0.231,93 1.248,94 22.373,95 8.122,96 41.937,97 10.075,98 0.168,99 1.13,100 20.375,101 8.388,102 32.819,103 11.124,104 20,105 47,106 0.26,107 0.649,108 0.784,109 0.853,110 0.868,111 0.874,112 3.471,113 0.929,114 -4.44,115 -4.37,116 -4.12,119 46.2,120 1,125 1,141 2,142 8,143 5,144 2,145 1,147 1,151 1,152 1,159 1,163 2,164 2,165 2,172 13,175 2,177 1,178 3,179 1,180 6,183 18,185 2,188 2,193 6,196 13,198 2,200 7,205 11,208 9,210 4,213 6,218 8,221 6,223 3,225 5,227 1,228 1,230 9,233 9,235 5,238 1,243 3,246 12,248 1,250 1,253 1,254 2,255 3,257 3,258 12,260 1,262 1,264 1,269 4,272 8,274 2,276 1660,277 21.093,278 21.093,279 21.093,280 21.093,281 21.093,282 18.008,283 22.195,284 12.621,285 21.451,286 16.774,287 16.774,288 16.774,289 16.774,290 16.774,291 12.067,292 27.362,293 5.97,294 17.352,295 4.113,296 1.737,297 0.914,298 0.491,299 0.399,300 0.361,301 4.168,305 1,306 1,307 917,308 3.536,311 72.685,312 305.053,315 137.754,319 2.219,320 23.801,323 0.75,324 0.83,325 0.83,326 0.5,328 0.83,329 1,330 0.68,331 65.5,332 426,333 4.732,334 3.563,335 6.972,336 4.252,337 3.285,338 4.712,339 1.656,340 11.822,341 3.176,342 4.156,343 3.364,344 6.078,345 3.736,346 2.761,347 3.74,348 0.769,349 8.756,350 2.688,351 4.074,352 2.881,353 5.63,354 3.659,355 2.675,356 3.66,357 0.247,358 7.806,359 2.629,360 3.935,361 2.74,362 5.535,363 3.454,364 2.473,365 3.329,367 7.244,368 2.417,369 3.703,370 2.588,371 5.373,372 3.208,373 2.232,374 2.98,376 6.76,377 2.179,378 3.468,379 2.355,380 4.903,381 3.056,382 2.089,383 2.776,385 5.71,386 2.016,387 3.431,388 2.257,389 4.718,390 2.778,391 1.834,392 2.593,394 4.972,395 1.741,396 3.185,397 2.136,398 4.505,399 2.669,400 1.694,401 2.341,403 4.594,404 1.612,405 3.074,406 1.863,407 4.193,408 2.414,409 1.438,410 2.107,412 3.307,413 1.401,414 2.659,415 1.24,416 3.697,417 2.18,418 1.183,419 1.73,421 2.677,422 1.179,423 2.562,424 1.178,425 3.479,426 2.035,427 1.081,428 1.586,430 2.585,431 1.021,432 2.5,433 1,434 3.414,435 2,436 1,437 1.5,439 2.275,440 1,441 2.281,442 0.99,443 3.387,444 1.699,445 0.861,446 1.185,448 2.1,449 0.702,450 1.776,451 0.688,452 2.96,453 1.345,454 0.413,455 0.52,457 0.755,458 0.382,459 1.327,460 0.615,461 2.783,462 1.018,463 0.072,464 0.085,466 0.194,467 0.067,468 15.167,469 0.489,470 0.712,471 0.023,472 44.25,473 1.427,474 25,475 0.806,476 19.25,477 0.621,478 23.409,479 0.755,480 31.033,481 0.597,482 33.626,483 1.085,484 8.776,485 0.283,486 6.27,487 0.202,488 0.108,490 0.33,496 0.981,497 0.943,498 0.764,499 0.736,500 0.879,501 0.742,502 0.505,503 0.891,504 0.839,505 0.885,506 0.546,507 0.861,508 1.052,509 1.04,510 0.907,511 0.927,512 0.95,513 0.969,514 0.843,515 1.202,516 0.924,517 1.109,518 0.775,519 1.005,520 1.49,521 1.117,522 1.286,523 1.157,524 1.427,525 1.063,526 1.318,527 1.047,528 1.191,529 1.083,530 1.286,531 0.971,532 1.374,533 1.078,534 1.152,535 1.069,536 1.396,537 1.117,538 0.556,539 0.93,540 0.869,541 1.023,542 0.658,543 1.076,544 6,545 0.145,546 3.111,547 2.153,548 1.824,549 1.059,550 0.645,551 0.42,552 0.25,553 0.233,554 14125,555 38900,556 2.084,557 40.4,558 3,559 10,560 1,561 1,562 6,567 1.732,568 1.958,569 3.71,570 3.179,572 1,577 82.535,578 1.587,579 3.963,580 4.787,581 5.21,582 5.301,583 5.34,584 3.272,585 4.607,586 4.921,587 3.905,588 1815.71,589 8.575,590 26788.1,592 1,595 296.423,596 1.383,597 4.888,598 0.176,599 0.006,600 0.066,601 0.045,602 0.039,603 0.026,604 0.017,605 0.013,606 0.009,607 0.009,608 0.406,609 0.17,610 1,611 1.02,612 163.793,613 -0.168,614 0.151,615 0.023,616 0.154,617 -0.188,618 0.109,619 0.273,620 0.145,621 0.061,622 0.083,623 0.123,624 0.058,625 -0.131,626 -0.031,627 -0.012,628 0.021,629 -0.109,630 -0.038,631 0.054,632 -0.213,633 0.106,634 -0.083,635 0.081,636 -0.028,637 -0.21,638 -0.106,639 -0.165,640 -0.103,641 -0.098,642 -0.102,643 -0.107,644 -0.034,645 -0.081,646 -0.048,647 -0.045,648 0.003,649 -0.248,650 -0.084,651 -0.23,652 -0.136,653 -0.257,654 -0.171,655 0.184,656 -0.006,657 0.013,658 -0.079,659 0.096,660 -0.063,661 1.962,662 5.283,663 0.677,664 36.73,665 1,666 1.114,667 3.21,668 10.302,669 0.716,670 3.555,671 3.871,672 4.143,673 4.443,674 4.654,675 4.736,676 4.844,677 5.011,678 5.037,679 5.106,680 7.917,681 0.677,682 427.57,683 3.555,684 5.094,685 5.943,686 6.825,687 7.696,688 8.587,689 9.468,690 10.365,691 11.253,692 12.154,693 9.6,694 1,697 1,700 2,703 1,708 2,709 10,710 1,713 1,714 7,716 22,727 1,735 52,737 24,738 2,739 34,741 55,742 24,743 19,744 4,745 8,748 4,749 5,753 1,754 2,761 2,762 20,763 2,767 1,772 1,776 1,780 1,783 21,784 6,785 6,786 7,787 1,792 5,797 0.75,798 1,809 1,815 1,816 3,819 1,823 2,836 1,843 3,845 1,847 1,851 31,852 2,858 1,860 2,866 1,869 1,872 2,874 1.9,877 1,881 15.833,882 9.533,883 6.889,884 2.846,886 4.623,887 1.582,888 1.033,889 6.289,890 12.572,891 3.892,892 4.525,893 5.154,894 5.811,895 6.369,896 6.741,897 7.188,898 7.667,899 7.97,900 8.333,901 1,902 48,903 11.377,905 4.785,906 7.758,907 21.564,909 17.429,911 2.258,912 70,915 1,916 176.567,917 196.955,918 118.601,920 25.145,922 31.278,923 165.677,924 201.711,925 118.601,926 8.825,927 71.024,928 116.356,929 53.702,930 29.876,931 53.182,932 184.302,934 176.567,935 284.278,936 25.145,937 31.278,939 176.567,940 25.145,943 88.897,944 144.535,945 50.847,946 31.278,947 176.567,948 143.746,949 196.955,952 176.567,953 61.562,954 101.332,955 70.083,956 107.725,957 176.567,958 143.746,959 196.955,961 0.574,962 0.332,963 0.188,964 0.104,965 22,966 10,967 0.055,968 3,969 1,970 1.095,971 4.291,972 274.342,973 0.095,974 21,975 147.58,977 1,981 21.016,982 9.277,983 4.754,984 1.87,985 143.746,986 18.973,987 4.297,990 1.574,991 5.757,993 101.816,994 517.267,995 48,1000 12.283,1004 -0.295,1007 51.982,1008 57.943,1009 0.278,1010 0.695,1011 0.84,1012 0.914,1013 0.93,1014 0.937,1015 5.121,1016 1.694,1017 5.922,1018 4.972,1019 4.554,1020 5.212,1021 1.944,1022 6.732,1023 4.489,1024 6.357,1025 1.438,1026 7.475,1027 4.594,1028 4.111,1029 4.997,1030 1.195,1031 7.639,1032 4.038,1033 7.677,1034 1.183,1035 9.129,1036 3.307,1037 6.138,1038 7.477,1039 2.476,1040 10.77,1041 6.018,1042 9.034,1043 1.081,1044 10.846,1045 2.677,1046 6.524,1047 8.122,1048 2.324,1049 12.572,1050 6.383,1051 10.421,1052 1,1053 12.605,1054 2.585,1055 8.014,1056 10.05,1057 3.26,1058 15.238,1059 7.838,1060 11.832,1061 0.861,1062 14.396,1063 2.275,1064 8.8,1065 11.138,1066 3.407,1067 17.43,1068 8.593,1069 13.261,1070 0.413,1071 16.212,1072 2.1,1073 10.078,1074 12.831,1075 4.159,1076 19.952,1077 9.84,1078 3.285,1079 0.072,1080 18.048,1081 0.755,1082 11.063,1083 14.152,1084 4.464,1085 22.309,1086 10.788,1087 2.761,1088 11.822,1089 19.9,1090 0.194,1091 12.26,1092 15.746,1093 5.112,1094 24.789,1095 11.954,1096 2.675,1097 8.756,1098 21.767,1099 4.712,1100 13.343,1101 17.184,1102 5.504,1103 27.213,1104 12.998,1105 2.473,1106 7.806,1107 23.646,1108 3.74,1109 14.515,1110 18.742,1111 6.091,1112 29.682,1113 14.137,1114 2.232,1115 7.244,1116 25.535,1117 3.66,1118 15.646,1119 20.237,1120 6.531,1121 32.132,1122 15.23,1123 2.089,1124 6.76,1125 27.432,1126 3.329,1127 16.814,1128 21.783,1129 7.083,1130 34.6,1131 16.364,1132 1.834,1133 5.71,1134 29.336,1135 2.98,1136 17.969,1137 23.305,1138 7.551,1139 37.061,1140 17.481,1141 13492,1142 22546,1143 22.77,1144 37.222,1145 51.538,1146 51.828,1147 52.313,1148 50.066,1149 50.185,1150 69.684,1151 5.345,1152 143.114,1153 48.422,1154 5.598,1155 5.563,1156 6.834,1157 5.357,1158 5.285,1159 7.712,1160 2.912,1161 19.202,1162 5.176,1163 15.183,1164 1.516,1165 1.524,1166 1.539,1167 1.473,1168 1.476,1169 2.05,1170 0.157,1171 4.209,1172 1.424,1173 4.117,1174 4.128,1175 4.34,1176 4.126,1177 7.431,1178 4.085,1179 3.934,1180 3.968,1181 3.884,1182 3.861,1183 5.2,1184 3.857,1185 3.846,1186 3.877,1187 3.805,1188 3.787,1189 5.06,1190 3.78,1191 3.545,1192 3.603,1193 3.545,1194 3.455,1195 4.791,1196 3.444,1197 3.432,1198 3.485,1199 3.385,1200 3.18,1201 4.747,1202 3.215,1203 3.267,1204 3.321,1205 3.358,1206 3.122,1207 4.681,1208 3.108,1209 3.144,1210 3.223,1211 3.012,1212 2.986,1213 4.383,1214 2.968,1215 3.083,1216 3.175,1217 2.947,1218 2.887,1219 4.208,1220 2.876,1221 0.139,1222 0.105,1223 0.205,1224 0.125,1225 0.097,1226 4.732,1227 0.139,1228 3.563,1229 0.049,1230 6.972,1231 0.348,1232 4.252,1233 0.093,1234 3.285,1235 4.712,1236 1.656,1237 11.822,1238 3.176,1239 1.964,1240 1.945,1241 2.044,1242 2.047,1243 1.176,1244 2.046,1245 1.913,1246 1.884,1247 2.027,1248 2.006,1249 1.131,1250 2.013,1251 1.839,1252 1.821,1253 1.885,1254 1.927,1255 1.01,1256 1.928,1257 1.499,1258 1.46,1259 1.677,1260 1.698,1261 0.701,1262 1.699,1263 1.373,1264 1.34,1265 1.561,1266 1.61,1267 0.631,1268 1.584,1269 1.267,1270 1.217,1271 1.432,1272 1.416,1273 0.609,1274 1.461,1275 1.14,1276 1.076,1277 1.321,1278 1.362,1279 0.301,1280 1.388,1281 0.936,1282 0.85,1283 1.207,1284 1.247,1285 0.218,1286 1.251,1287 4.234,1289 5.549,1290 2.398,1291 7.057,1292 4.727,1293 8.66,1294 6.88,1295 10.317,1297 1.978,1301 11.669,1303 0.288,1305 5.682,1313 5.925,1314 35.223,1315 82.535,1316 206.084,1317 248.913,1318 270.913,1319 275.668,1320 277.668,1321 48.139,1322 7.948,1323 106.06,1324 134.3,1325 23,1326 12.679,1327 4.644,1328 3.907,1329 49.752,1330 148,1331 146,1332 0.164,1333 222.456,1334 378.7,1335 534.551,1336 34326,1338 21.794,1339 0.703,1340 0.571,1341 22.148,1342 17.716,1343 15.046,1344 0.443,1345 0.31,1346 9.637,1347 14.246,1348 9.283,1349 7.759,1350 15.5,1351 10.526,1352 13.435,1353 0.286,1354 0.166,1355 13.959,1356 7.822,1357 11.019,1358 0.178,1359 0.092,1360 11.739,1361 5.693,1362 9.6,1363 0.114,1364 0.051,1365 10.542,1366 4.318,1367 7.638,1368 0.073,1369 0.027,1370 8.465,1371 2.847,1372 0.264,1373 97.308,1374 0.21,1375 29.614,1376 0.431,1377 162,1378 439.531,1379 194.267,1380 464.391,1381 641.93,1382 434,1383 190,1384 463.276,1385 220.369,1386 492.83,1387 716.87,1388 463,1389 5.9}
{0 CHEMBL1966035,1 1.565,2 9.227,3 1.722,4 2.965,5 84.781,6 7.928,7 0.5,8 3.722,9 3.824,10 3.332,11 3.294,12 4.961,13 3.288,14 4.135,15 4.285,16 3.617,17 3.583,18 5.329,19 3.564,20 4.343,21 4.539,22 3.642,23 3.64,24 5.624,25 3.592,26 4.306,27 4.506,28 3.502,29 3.603,30 5.451,31 3.531,32 4.325,33 4.531,34 3.554,35 3.611,36 5.45,37 3.556,38 4.347,39 4.528,40 3.56,41 3.553,42 5.627,43 3.526,44 4.298,45 4.487,46 3.43,47 3.441,48 5.614,49 3.405,50 4.172,51 4.39,52 3.14,53 3.337,54 5.346,55 3.24,56 0.06,57 0.524,58 6.657,59 3.204,60 12.408,61 3.784,62 0.074,63 0.8,64 10.971,65 4.684,66 14.095,67 5.953,68 0.358,69 0.946,70 15.523,71 5.697,72 49.3,73 7.643,74 0.281,75 0.891,76 15.098,77 5.804,78 38.435,79 7.657,80 0.16,81 0.884,82 15.696,83 6.1,84 28.412,85 8.007,86 0.257,87 0.869,88 16.179,89 5.766,90 43.036,91 6.893,92 0.367,93 0.797,94 16.205,95 5.563,96 56.433,97 6.549,98 0.273,99 0.698,100 14.578,101 5.369,102 43.336,103 6.848,104 10,105 33,106 0.28,107 0.612,108 0.724,109 0.8,110 0.823,111 0.832,112 3.147,113 0.864,114 -2.51,115 -2.53,116 -2.48,119 45.9,120 1,127 1,138 2,142 7,143 1,144 1,145 2,156 2,172 6,175 6,183 8,187 1,188 2,191 2,192 1,196 5,199 1,200 2,203 2,208 2,213 5,218 4,221 1,225 2,230 6,237 1,238 2,241 1,243 4,246 4,250 1,253 1,255 3,258 4,264 2,269 1,272 4,276 684,277 14.897,278 14.897,279 14.897,280 14.897,281 14.897,282 12.754,283 16.158,284 8.93,285 15.134,286 11.83,287 11.83,288 11.83,289 11.83,290 11.83,291 8.723,292 24.622,293 4.26,294 12.255,295 3.644,296 1.789,297 1.167,298 0.744,299 0.615,300 0.561,301 3.823,304 1,305 1,306 1,307 434,308 2.828,310 56.815,312 152.625,319 1.43,320 22.6,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 47.5,332 203,333 4.681,334 3.616,335 6.957,336 4.265,337 3.307,338 4.227,339 0.795,340 11.657,341 3.161,342 4.05,343 3.071,344 6.022,345 3.748,346 2.763,347 3.547,348 0.6,349 8.561,350 2.722,351 3.906,352 2.665,353 5.409,354 3.455,355 2.488,356 3.457,358 7.095,359 2.403,360 3.29,361 2.141,362 4.961,363 2.823,364 1.853,365 2.482,367 5.078,368 1.796,369 3.131,370 1.947,371 4.822,372 2.533,373 1.609,374 2.302,376 4.499,377 1.482,378 2.916,379 1.716,380 4.196,381 2.402,382 1.448,383 2.011,385 3.649,386 1.373,387 2.709,388 1.447,389 3.602,390 2.209,391 1.279,392 1.717,394 2.971,395 1.184,396 2.5,397 1.157,398 3.457,399 2,400 1,401 1.5,403 2.391,404 1,405 2.5,406 1,407 3.247,408 1.984,409 1,410 1.5,412 2.136,413 0.983,414 2.221,415 1,416 3.247,417 1.946,418 0.975,419 1.164,421 2.136,422 0.942,423 1.547,424 0.799,425 2.931,426 1.093,427 0.204,428 0.259,430 0.496,431 0.18,432 0.923,433 -0.126,434 2.587,435 0.558,436 -0.382,437 -0.456,439 -0.946,440 -0.357,441 0.665,442 -0.502,443 2,444 0.255,445 -0.735,446 -0.914,448 -1.601,449 -0.72,450 0.5,451 -0.684,452 1.843,453 0.084,454 -0.86,455 -0.966,457 -2.117,458 -0.816,459 0.5,460 -0.87,461 1.582,463 -1,464 -1.497,466 -2.347,467 -0.946,468 10.367,469 0.471,470 0.507,471 0.023,472 31,473 1.409,474 17,475 0.773,476 14,477 0.636,478 14.374,479 0.653,480 22.633,481 0.612,482 20.987,483 0.954,484 6.336,485 0.288,486 4.328,487 0.197,488 0.113,490 0.338,496 0.963,497 1.151,498 0.772,499 0.93,500 1.024,501 0.845,502 0.799,503 1.316,504 0.819,505 1.09,506 0.715,507 0.972,508 0.628,509 1.023,510 0.908,511 0.975,512 0.556,513 0.976,514 0.777,515 0.957,516 1.036,517 1.025,518 0.819,519 1.064,520 0.912,521 1.033,522 0.872,523 1.013,524 0.866,525 0.944,526 1.651,527 1.075,528 1.123,529 1.049,530 1.628,531 1.007,532 1.808,533 0.893,534 1.2,535 0.958,536 1.916,537 0.988,538 1.28,539 0.893,540 1.164,541 1.019,542 1.392,543 1.077,544 3.5,545 0.016,546 2.444,547 1.875,548 1.124,549 0.91,550 0.489,551 0.337,552 0.164,553 0.04,554 5028,555 14307,556 2.07,557 40.5,559 8,561 2,562 2,564 3,567 1.647,568 1.941,569 3.222,570 0.304,571 1,572 1,574 1,577 57.905,578 1.565,579 3.421,580 4.043,581 4.466,582 4.594,583 4.649,584 2.698,585 3.295,586 4.432,587 3.33,588 769.18,589 7.622,590 8559.71,591 1,592 1,594 1,595 192.75,596 1.395,597 4.392,598 0.146,599 0.002,600 0.079,601 0.063,602 0.043,603 0.032,604 0.018,605 0.015,606 0.01,607 0.003,608 0.411,609 0.67,610 1,611 0.595,612 101.341,613 -0.128,614 -0.079,615 0.002,616 0.053,617 -0.191,618 0.046,619 -0.046,620 -0.239,621 0.015,622 -0.137,623 -0.038,624 -0.064,625 0.285,626 0.029,627 0.028,628 -0.038,629 0.275,630 -0.046,631 0.09,632 0.058,633 -0.101,634 -0.064,635 0.002,636 -0.11,637 -0.033,638 -0.064,639 0.083,640 -0.03,641 0.012,642 0.039,643 -0.243,644 -0.106,645 -0.126,646 -0.099,647 -0.149,648 -0.09,649 -0.193,650 0.046,651 -0.155,652 -0.006,653 -0.181,654 -0.068,655 -0.097,656 0.005,657 -0.136,658 -0.025,659 -0.115,660 -0.081,661 1.893,662 3.826,663 0.727,664 16.81,665 1.007,666 1.119,667 1.278,668 1.634,669 0.689,670 3.219,671 3.526,672 3.807,673 3.97,674 4.127,675 4.111,676 4.19,677 4.205,678 4.234,679 4.174,680 5.552,681 0.666,682 293.35,683 3.219,684 4.745,685 5.595,686 6.466,687 7.339,688 8.221,689 9.105,690 9.995,691 10.885,692 11.78,693 8.1,702 2,703 1,709 9,710 1,714 2,716 12,735 37,737 15,738 1,739 24,741 39,742 17,743 11,744 1,745 5,746 4,748 3,749 3,754 1,760 1,762 15,763 2,767 3,775 2,776 4,779 1,780 1,783 15,784 5,785 2,786 5,792 3,797 1,798 2,809 1,814 1,816 2,826 2,834 2,841 2,843 3,847 1,851 22,857 2,863 1,874 5.4,876 2,881 11.333,882 6.833,883 4.889,884 2.117,886 3.464,887 1.52,888 0.932,889 3.923,890 10.123,891 3.526,892 4.111,893 4.696,894 5.178,895 5.661,896 5.812,897 6.237,898 6.606,899 6.979,900 7.244,901 1,902 30,903 8.094,905 3.45,906 7.879,907 15.133,909 12.165,911 2.379,912 52.333,916 153.024,917 104.71,918 50.357,920 85.367,923 104.71,924 238.391,925 50.357,926 8.825,928 66.334,929 131.208,930 57.608,932 129.482,934 153.024,935 155.066,936 85.367,939 117.711,940 120.68,943 60.491,944 77.79,945 16.786,947 153.024,948 135.723,949 104.71,952 153.024,953 11.456,954 93.254,956 135.723,957 153.024,958 135.723,959 104.71,961 0.577,962 0.344,963 0.176,964 0.093,965 16,966 7,967 0.077,968 3,970 1,971 3.505,972 167.045,974 16,975 90.107,981 14.332,982 6.021,983 2.893,985 135.723,986 16.4,987 3.914,991 1.668,993 85.367,994 393.457,995 33,1003 8.766,1004 0.184,1007 37.262,1008 41.405,1009 0.3,1010 0.657,1011 0.776,1012 0.857,1013 0.882,1014 0.892,1015 4.745,1016 1,1017 5.572,1018 2.971,1019 4.205,1020 4.796,1021 1.093,1022 6.385,1023 4.131,1024 5.957,1025 1,1026 7.135,1027 2.391,1028 3.761,1029 4.407,1031 7.302,1032 3.643,1033 7.267,1034 0.975,1035 8.807,1036 2.136,1037 5.814,1038 6.966,1039 0.722,1040 10.508,1041 5.675,1042 8.621,1043 0.204,1044 10.546,1045 2.136,1046 6.275,1047 7.456,1049 12.332,1050 6.081,1051 10.014,1052 -0.382,1053 12.33,1054 0.496,1055 7.776,1056 9.425,1057 0.469,1058 15.059,1059 7.562,1060 11.435,1061 -0.735,1062 14.148,1063 -0.946,1064 8.641,1065 10.35,1067 17.241,1068 8.367,1069 12.879,1070 -0.86,1071 15.989,1072 -1.601,1073 9.931,1074 12.043,1075 0.302,1076 19.803,1077 9.63,1078 3.307,1079 -1,1080 17.85,1081 -2.117,1082 10.975,1083 13.199,1085 22.136,1086 10.615,1087 2.763,1088 11.657,1089 19.725,1090 -2.347,1091 12.189,1092 14.755,1093 0.194,1094 24.636,1095 11.793,1096 2.488,1097 8.561,1098 21.612,1099 4.227,1100 13.311,1101 16.038,1103 27.035,1104 12.86,1105 1.853,1106 7.095,1107 23.508,1108 3.547,1109 14.501,1110 17.527,1111 0.124,1112 29.51,1113 14.007,1114 1.609,1115 5.078,1116 25.411,1117 3.457,1118 15.658,1119 18.878,1121 31.939,1122 15.112,1123 1.448,1124 4.499,1125 27.321,1126 2.482,1127 16.843,1128 20.336,1129 0.079,1130 34.403,1131 16.251,1132 1.279,1133 3.649,1134 29.236,1135 2.302,1136 18.017,1137 21.726,1139 36.846,1140 17.375,1141 4892,1142 8374,1143 16.008,1144 25.495,1145 36.651,1146 36.534,1147 37.205,1148 35.831,1149 35.85,1150 48.333,1151 2.79,1152 101.335,1153 34.452,1154 5.541,1155 5.616,1156 6.759,1157 5.3,1158 5.307,1159 7.227,1160 1.59,1161 19.657,1162 5.161,1163 9.671,1164 1.527,1165 1.522,1166 1.55,1167 1.493,1168 1.494,1169 2.014,1170 0.116,1171 4.222,1172 1.436,1173 3.999,1174 4.03,1175 3.966,1176 3.901,1177 6.539,1178 3.908,1179 3.883,1180 3.917,1181 3.82,1182 3.797,1183 6.391,1184 3.803,1185 3.754,1186 3.783,1187 3.707,1188 3.64,1189 4.959,1190 3.653,1191 3.38,1192 3.449,1193 3.23,1194 3.23,1195 4.786,1196 3.219,1197 2.865,1198 2.925,1199 2.814,1200 2.735,1201 4.612,1202 2.715,1203 2.854,1204 2.925,1205 2.687,1206 2.735,1207 4.23,1208 2.715,1209 2.854,1210 2.925,1211 2.687,1212 2.602,1213 3.786,1214 2.637,1215 2.76,1216 2.85,1217 2.542,1218 2.591,1219 3.674,1220 2.576,1221 0.195,1222 0.151,1223 0.29,1224 0.178,1225 0.138,1226 4.681,1227 0.176,1228 3.616,1229 0.033,1230 6.957,1231 0.486,1232 4.265,1233 0.132,1234 3.307,1235 4.227,1236 0.795,1237 11.657,1238 3.161,1239 1.941,1240 1.913,1241 2.056,1242 2.055,1243 1.191,1244 2.049,1245 1.861,1246 1.832,1247 1.947,1248 1.976,1249 0.982,1250 1.977,1251 1.706,1252 1.681,1253 1.791,1254 1.847,1255 0.862,1256 1.831,1257 1.386,1258 1.32,1259 1.652,1260 1.584,1261 0.765,1262 1.613,1263 0.886,1264 0.821,1265 1.181,1266 1.062,1267 0.218,1268 1.107,1269 0.886,1270 0.821,1271 1.181,1272 1.062,1273 0.218,1274 1.107,1275 0.789,1276 0.708,1277 1.109,1278 1.047,1279 0.216,1280 1.049,1281 0.729,1282 0.667,1283 0.903,1284 1.014,1286 0.996,1287 3.892,1289 5.242,1291 6.817,1293 8.479,1295 10.185,1297 1.926,1302 19.62,1308 -0.144,1314 24.655,1315 57.905,1316 126.569,1317 149.589,1318 165.24,1319 169.995,1320 171.995,1321 37.008,1322 6.659,1323 78.07,1324 78.07,1325 16,1326 12.307,1327 4,1328 3.322,1329 34.383,1330 71,1331 68,1332 0.233,1333 153.689,1334 270.6,1335 366.761,1336 6218,1338 15.527,1339 0.706,1340 0.546,1341 15.527,1342 12.01,1343 10.665,1344 0.444,1345 0.288,1346 6.835,1347 10.336,1348 6.664,1349 5.549,1350 10.665,1351 6.913,1352 9.397,1353 0.285,1354 0.149,1355 9.397,1356 4.927,1357 8.159,1358 0.185,1359 0.077,1360 8.159,1361 3.406,1362 6.215,1363 0.12,1364 0.04,1365 6.215,1366 2.099,1367 4.835,1368 0.079,1369 0.022,1370 4.835,1371 1.315,1372 0.36,1373 66.459,1374 0.25,1375 21.755,1376 0.651,1377 114,1378 339.235,1379 123.703,1380 334.47,1381 458.4,1382 312,1383 134,1384 339.455,1385 144.895,1386 345.484,1387 504.97,1388 326,1389 5.1}
{0 CHEMBL1966069,1 1.53,2 10.208,3 3.056,4 9.337,5 92.942,6 8.788,7 0.893,8 3.772,9 3.902,10 3.501,11 3.31,12 4.987,13 3.333,14 4.238,15 4.39,16 3.857,17 3.701,18 5.376,19 3.717,20 4.391,21 4.589,22 3.763,23 3.719,24 5.467,25 3.695,26 4.423,27 4.662,28 3.651,29 3.613,30 5.48,31 3.582,32 4.193,33 4.427,34 3.497,35 3.426,36 5.26,37 3.395,38 4.047,39 4.259,40 3.455,41 3.318,42 5.173,43 3.307,44 3.988,45 4.228,46 3.287,47 3.194,48 5.05,49 3.176,50 3.812,51 4.034,52 3.114,53 3.105,54 4.833,55 3.074,56 0.15,57 0.68,58 5.151,59 2.572,60 8.514,61 2.962,62 0.176,63 1.045,64 9.18,65 4.024,66 9.34,67 4.693,68 0.253,69 1.113,70 13.104,71 4.931,72 18.604,73 6.069,74 0.385,75 1.089,76 15.861,77 4.776,78 26.632,79 6.049,80 0.308,81 0.872,82 12.621,83 4.184,84 21.382,85 5.501,86 0.223,87 0.783,88 9.9,89 3.533,90 16.972,91 4.581,92 0.237,93 0.704,94 10.538,95 3.194,96 17.757,97 4.191,98 0.162,99 0.593,100 8.285,101 2.765,102 12.548,103 3.51,105 40,106 0.268,107 0.632,108 0.78,109 0.876,110 0.895,111 0.895,112 3.229,113 0.803,114 -3.17,115 -3.16,116 -3.04,119 44.4,125 1,142 7,143 1,144 1,145 1,146 2,151 1,152 2,166 4,168 1,172 5,174 2,175 5,180 2,183 4,187 1,188 12,193 2,196 3,199 3,200 9,212 4,213 3,216 1,224 3,225 6,228 1,237 1,238 9,241 1,250 6,258 2,263 1,264 2,267 1,272 6,276 734,277 16.894,278 16.894,279 16.894,280 16.894,281 16.894,282 14.07,283 14.706,284 9.914,285 17.162,286 13.874,287 13.874,288 13.874,289 13.874,290 13.874,291 9.655,292 20.475,293 4.734,294 14.32,295 3.639,296 1.561,297 0.713,298 0.167,299 0.056,300 0.056,301 3.948,304 1,305 1,306 1,307 567,308 2.236,311 158.542,312 118.138,315 183.674,319 1.625,320 12.557,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 52,332 245,333 4.534,334 3.183,335 6.536,336 4.047,337 3.086,338 4.477,339 0.522,340 10.313,341 2.966,342 4.466,343 3.068,344 6.304,345 3.984,346 3.012,347 4.391,349 9.631,350 2.927,351 4.175,352 2.808,353 6.029,354 3.711,355 2.747,356 3.841,358 8.709,359 2.641,360 3.644,361 2.491,362 5.403,363 3.259,364 2.295,365 3.04,367 7.025,368 2.209,369 3.334,370 1.944,371 4.986,372 2.855,373 1.888,374 2.698,376 5.621,377 1.824,378 3.046,379 1.546,380 4.411,381 2.527,382 1.546,383 2.318,385 4.277,386 1.514,387 3.034,388 1.534,389 4.238,390 2.517,391 1.534,392 2.301,394 3.84,395 1.507,396 2.822,397 1.433,398 4.11,399 2.349,400 1.372,401 1.959,403 3.589,404 1.338,405 2.624,406 1.166,407 3.581,408 2.133,409 1.145,410 1.682,412 2.731,413 1.13,414 2.512,415 1.041,416 3.434,417 1.998,418 1.024,419 1.517,421 2.361,422 0.996,423 2.191,424 0.73,425 3.279,426 1.673,427 0.707,428 1.043,430 1.708,431 0.682,432 2.071,433 0.637,434 3.142,435 1.586,436 0.607,437 0.879,439 1.427,440 0.593,441 1.888,442 0.399,443 3.028,444 1.36,445 0.393,446 0.586,448 0.977,449 0.379,450 1.067,451 -0.06,452 2.743,453 0.723,454 -0.238,455 -0.303,457 -0.664,458 -0.228,459 0.785,460 -0.589,461 2.466,462 0.318,463 -0.659,464 -0.914,466 -1.777,467 -0.641,468 11.2,469 0.467,470 0.479,471 0.02,472 36,473 1.5,474 20,475 0.833,476 16,477 0.667,478 14.249,479 0.594,480 23.6,481 0.656,482 23.507,483 0.979,484 7.339,485 0.306,486 4.527,487 0.189,490 0.339,496 0.537,497 0.922,498 0.604,499 0.874,500 0.567,501 0.779,502 0.958,503 1.289,504 0.783,505 1.049,506 0.825,507 0.915,508 1.128,509 1.198,510 1.076,511 1.134,512 1.03,513 1.103,514 1.345,515 0.967,516 1.194,517 0.942,518 1.3,519 1.016,520 0.933,521 0.855,522 0.978,523 0.915,524 1.064,525 0.947,526 0.867,527 1.127,528 0.898,529 1.082,530 0.864,531 1.014,532 1.198,533 1.001,534 0.986,535 0.874,536 1.046,537 0.883,538 1.244,539 1.024,540 1.06,541 0.927,542 1.115,543 0.949,544 4,545 0.078,546 2.667,547 1.396,548 0.836,549 0.511,550 0.268,551 0.212,552 0.127,553 0.086,554 7667,555 20962,556 2.289,557 33.3,559 9,560 1,561 1,562 1,567 1.664,568 2.25,569 3.336,570 -0.219,571 1,572 1,574 1,577 55.098,578 1.53,579 3.609,580 4.457,581 5.003,582 5.114,583 5.114,584 2.757,585 4.502,586 4.561,587 3.493,588 964.117,589 7.839,590 11343.7,591 1,592 1,593 1,594 1,595 186.117,596 0.918,597 4.557,598 0.143,599 0.005,600 0.067,601 0.04,602 0.028,603 0.02,604 0.011,605 0.01,606 0.007,607 0.005,608 0.335,609 0.5,610 0.88,612 114.611,613 0.348,614 0.208,615 0.09,616 0.025,617 0.166,618 0.008,619 -0.066,620 -0.214,621 -0.017,622 -0.131,623 -0.071,624 -0.078,625 -0.192,626 -0.205,627 -0.163,628 -0.177,629 -0.133,630 -0.167,631 -0.225,632 0.002,633 -0.16,634 -0.004,635 -0.203,636 -0.055,637 0.115,638 0.101,639 0.055,640 0.053,641 0.041,642 0.044,643 0.158,644 -0.144,645 0.072,646 -0.135,647 0.187,648 -0.068,649 -0.099,650 -0.047,651 0.068,652 0.081,653 0.035,654 0.103,655 -0.272,656 -0.067,657 -0.066,658 0.053,659 -0.146,660 0.04,661 0.978,662 1.243,663 0.958,664 19.167,665 1.016,666 1.134,667 1.937,668 3.754,669 0.71,670 3.367,671 3.714,672 4.043,673 4.344,674 4.489,675 4.595,676 4.762,677 4.905,678 4.92,679 5.03,680 6.122,681 0.701,682 316.36,683 3.367,684 4.92,685 5.796,686 6.686,687 7.572,688 8.464,689 9.353,690 10.245,691 11.136,692 12.028,693 22.2,701 3,703 5,708 4,709 9,710 5,711 1,714 2,715 2,716 25,735 36,737 25,738 2,739 28,741 40,742 16,743 15,744 5,745 7,748 5,749 7,762 15,763 1,779 1,780 1,783 12,784 5,785 1,786 8,792 8,797 0.6,807 1,815 3,816 2,819 2,843 3,851 24,858 1,871 2,881 10.667,882 6.65,883 5.111,884 2.067,886 4.95,887 1.632,888 1.089,889 2.934,890 12.78,891 3.726,892 4.428,893 5.123,894 5.786,895 6.24,896 6.639,897 7.129,898 7.591,899 7.786,900 8.195,901 0.857,902 35,903 8.764,905 3.806,906 7.625,907 16.761,909 14.028,911 2.125,912 51,916 129.482,917 101.053,918 103.286,923 101.053,924 129.482,925 103.286,927 2.106,928 75.381,929 94.841,930 39.494,931 16.059,932 105.94,934 129.482,935 204.339,939 129.482,943 36.27,944 84.999,945 83.07,947 129.482,948 103.286,949 101.053,952 129.482,953 16.625,954 87.982,955 16.663,956 83.07,957 129.482,958 103.286,959 101.053,961 0.586,962 0.352,963 0.198,964 0.096,965 23,966 8,967 0.075,968 3,969 2,970 1.174,971 3.843,972 206.014,973 0.174,974 23,975 108.039,981 13.405,982 5.253,983 2.302,984 3.877,985 83.07,986 17.511,987 20.826,988 2.936,991 1.754,992 3.573,993 16.663,994 333.821,995 40.5,1007 36.582,1008 40.817,1009 0.296,1010 0.698,1011 0.862,1012 0.968,1013 0.989,1014 0.989,1015 4.943,1016 1.372,1017 5.771,1018 3.84,1019 4.394,1020 5.115,1021 0.434,1022 6.592,1023 4.331,1024 6.177,1025 1.145,1026 7.327,1027 3.589,1028 3.892,1029 4.913,1031 7.466,1032 3.778,1033 7.498,1034 1.024,1035 8.981,1036 2.731,1037 5.994,1038 7.445,1039 0.138,1040 10.578,1041 5.861,1042 8.861,1043 0.707,1044 10.695,1045 2.361,1046 6.382,1047 8.164,1049 12.306,1050 6.194,1051 10.259,1052 0.607,1053 12.448,1054 1.708,1055 7.886,1056 10.073,1057 0.039,1058 14.889,1059 7.681,1060 11.681,1061 0.393,1062 14.226,1063 1.427,1064 8.67,1065 11.21,1067 16.951,1068 8.414,1069 13.121,1070 -0.238,1071 16.023,1072 0.977,1073 9.937,1074 12.869,1075 0.011,1076 19.354,1077 9.659,1078 3.086,1079 -0.659,1080 17.832,1081 -0.664,1082 10.899,1083 14.196,1085 21.553,1086 10.575,1087 3.012,1088 10.313,1089 19.652,1090 -1.777,1091 12.069,1092 15.752,1093 0.003,1094 23.893,1095 11.719,1096 2.747,1097 9.631,1098 21.479,1099 4.477,1100 13.111,1101 17.165,1103 26.151,1104 12.719,1105 2.295,1106 8.709,1107 23.311,1108 4.391,1109 14.243,1110 18.678,1111 0.001,1112 28.468,1113 13.82,1114 1.888,1115 7.025,1116 25.148,1117 3.841,1118 15.32,1119 20.13,1121 30.754,1122 14.859,1123 1.546,1124 5.621,1125 26.989,1126 3.04,1127 16.437,1128 21.626,1130 33.065,1131 15.943,1132 1.534,1133 4.277,1134 28.833,1135 2.698,1136 17.532,1137 23.096,1139 35.364,1140 17,1141 6828,1142 11452,1143 19.879,1144 25.568,1145 43.073,1146 42.585,1147 42.678,1148 42.742,1149 42.713,1150 61.465,1151 1.043,1152 124.415,1153 41.41,1154 5.319,1155 5.183,1156 6.217,1157 5.097,1158 5.086,1159 7.477,1160 1.043,1161 17.063,1162 4.966,1164 1.538,1165 1.521,1166 1.524,1167 1.527,1168 1.525,1169 2.195,1170 0.037,1171 4.443,1172 1.479,1173 4.14,1174 4.19,1175 4.107,1176 4.009,1177 5.189,1178 4.025,1179 4.07,1180 4.118,1181 4.039,1182 3.941,1183 5.114,1184 3.958,1185 3.819,1186 3.89,1187 3.788,1188 3.6,1189 5.019,1190 3.636,1191 3.399,1192 3.473,1193 3.318,1194 3.187,1195 4.43,1196 3.212,1197 3.246,1198 3.318,1199 3.172,1200 3.043,1201 4.328,1202 3.067,1203 2.973,1204 3.044,1205 2.862,1206 2.825,1207 3.862,1208 2.825,1209 2.913,1210 2.981,1211 2.797,1212 2.771,1213 3.769,1214 2.768,1215 2.731,1216 2.823,1217 2.564,1218 2.507,1219 3.525,1220 2.51,1221 0.162,1222 0.114,1223 0.233,1224 0.145,1225 0.11,1226 4.534,1227 0.16,1228 3.183,1229 0.019,1230 6.536,1231 0.368,1232 4.047,1233 0.106,1234 3.086,1235 4.477,1236 0.522,1237 10.313,1238 2.966,1239 1.945,1240 1.919,1241 2.026,1242 2.047,1243 1.17,1244 2.041,1245 1.919,1246 1.89,1247 2.013,1248 2.021,1249 1.141,1250 2.019,1251 1.566,1252 1.51,1253 1.715,1254 1.781,1255 0.896,1256 1.76,1257 1.314,1258 1.23,1259 1.465,1260 1.662,1261 0.454,1262 1.604,1263 1.243,1264 1.171,1265 1.355,1266 1.523,1267 0.405,1268 1.476,1269 1.045,1270 0.973,1271 1.195,1272 1.364,1273 0.229,1274 1.296,1275 0.927,1276 0.875,1277 1.105,1278 1.117,1279 0.178,1280 1.112,1281 0.811,1282 0.719,1283 1.041,1284 1.074,1285 0.089,1286 1.085,1287 4.043,1289 5.38,1290 3.434,1291 6.901,1292 5.733,1293 8.505,1294 7.766,1295 10.153,1303 0.522,1314 25.225,1315 55.098,1316 129.936,1317 160.466,1318 180.117,1319 184.117,1320 184.117,1321 23.375,1322 7.83,1323 90.1,1324 90.1,1325 27,1326 12.555,1327 4.7,1328 3.755,1329 30.526,1330 90,1331 72,1332 0.167,1333 152.361,1334 230.66,1335 363.522,1336 29494,1338 15.933,1339 0.664,1340 0.522,1341 15.933,1342 12.534,1343 11.865,1344 0.424,1345 0.268,1346 7.363,1347 11.28,1348 7.263,1349 6.003,1350 11.865,1351 7.497,1352 10.745,1353 0.269,1354 0.138,1355 10.745,1356 5.532,1357 9.696,1358 0.173,1359 0.071,1360 9.696,1361 3.961,1362 8.501,1363 0.112,1364 0.036,1365 8.501,1366 2.757,1367 6.399,1368 0.073,1369 0.02,1370 6.399,1371 1.733,1372 0.264,1373 75.112,1374 0.224,1375 23.575,1376 0.452,1377 136,1378 399.849,1379 150.931,1380 395.65,1381 563.82,1382 372,1383 164,1384 455.074,1385 182.04,1386 454.976,1387 659.07,1388 428,1389 5.1}
{0 CHEMBL1966087,1 1.473,2 9.4,3 1.011,4 1.022,5 78.953,6 7.226,7 0.545,8 3.708,9 3.83,10 3.262,11 3.258,12 4.777,13 3.234,14 4.225,15 4.398,16 3.539,17 3.61,18 5.229,19 3.562,20 4.459,21 4.685,22 3.42,23 3.65,24 5.377,25 3.539,26 4.293,27 4.551,28 3.23,29 3.493,30 5.132,31 3.369,32 4.149,33 4.366,34 3.265,35 3.466,36 5.068,37 3.369,38 4.212,39 4.449,40 3.249,41 3.468,42 5.132,43 3.361,44 4.143,45 4.391,46 3.118,47 3.346,48 5.058,49 3.229,50 4.002,51 4.266,52 2.835,53 3.1,54 4.878,55 2.972,56 0.021,57 0.542,58 7.744,59 3.295,60 7.327,61 4.42,62 0.115,63 0.853,64 14.251,65 5.232,66 15.854,67 7.134,68 0.318,69 0.947,70 19.791,71 7.082,72 28.177,73 9.71,74 0.147,75 0.801,76 16.882,77 6.361,78 21.276,79 8.982,80 0.104,81 0.756,82 13.741,83 5.264,84 15.838,85 7.409,86 0.151,87 0.812,88 14.941,89 5.311,90 19.043,91 7.672,92 0.097,93 0.733,94 14.077,95 5.04,96 18.6,97 7.35,98 0.163,99 0.602,100 12.784,101 4.234,102 19.295,103 6.073,105 28,106 0.267,107 0.606,108 0.783,109 0.865,110 0.875,111 0.875,112 3.056,113 0.928,114 -2.4,115 -2.43,116 -2.39,119 43.2,121 1,125 2,127 1,135 2,142 3,143 2,144 1,145 4,172 6,175 5,180 1,183 6,187 1,188 4,191 1,196 4,200 3,208 4,213 4,218 1,221 3,225 4,228 1,230 1,233 1,238 3,243 1,246 1,249 1,255 1,258 1,263 1,269 1,272 2,276 514,277 13.999,278 13.999,279 13.999,280 13.999,281 13.999,282 12.419,283 11.026,284 8.753,285 14.318,286 10.933,287 10.933,288 10.933,289 10.933,290 10.933,291 8.62,292 15.849,293 4.247,294 11.437,295 3.736,296 1.863,297 0.885,298 0.432,299 0.378,300 0.378,301 3.744,305 1,306 1,307 409,308 2.236,311 56.338,312 135.428,319 1.6,320 11.011,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 42.5,332 188,333 4.122,334 3.094,335 5.689,336 3.718,337 2.766,338 3.73,339 0.86,340 8.024,341 2.653,342 3.922,343 2.625,344 5.392,345 3.526,346 2.55,347 3.483,348 0.4,349 7.12,350 2.481,351 3.585,352 2.486,353 5.276,354 3.395,355 2.424,356 2.771,358 6.796,359 2.336,360 3.282,361 2.14,362 4.844,363 2.938,364 1.977,365 2.401,367 5.552,368 1.89,369 2.96,370 1.561,371 3.642,372 2.433,373 1.495,374 2.134,376 3.152,377 1.399,378 2.69,379 1.474,380 3.513,381 2.17,382 1.256,383 1.768,385 2.728,386 1.145,387 2.5,388 1.213,389 3.394,390 2.025,391 1.102,392 1.5,394 2.452,395 1.013,396 2.307,397 1,398 3.247,399 1.984,400 1,401 1.171,403 2.136,404 0.983,405 2.177,406 0.76,407 3.081,408 1.588,409 0.618,410 0.98,412 1.408,413 0.594,414 1.618,415 0.605,416 3,417 1.581,418 0.603,419 0.618,421 1.372,422 0.593,423 1.079,424 0.192,425 2.66,426 0.76,427 -0.139,428 -0.159,430 -0.372,431 -0.124,432 0.889,433 -0.412,434 2.298,435 0.556,436 -0.421,437 -0.522,439 -1.038,440 -0.41,441 0.656,442 -0.63,443 1.802,444 0.119,445 -0.851,446 -1.134,448 -1.916,449 -0.811,450 0.5,451 -0.868,452 1.614,453 -0.003,454 -0.944,455 -1.327,457 -2.347,458 -0.891,459 0.392,460 -1,461 1.555,462 -0.049,463 -1,464 -1.5,466 -2.484,467 -0.946,468 9.533,469 0.477,470 0.273,471 0.014,472 27,473 1.35,474 14,475 0.7,476 13,477 0.65,478 12.469,479 0.623,480 21.067,481 0.569,482 16.325,483 0.816,484 5.423,485 0.271,486 4.476,487 0.224,490 0.21,496 0.901,497 1.308,498 0.806,499 1.095,500 0.805,501 0.962,502 1.36,503 1.113,504 1.06,505 1.059,506 1.098,507 1.02,508 1.407,509 0.902,510 1.129,511 1.001,512 1.18,513 1.043,514 0.96,515 0.856,516 0.85,517 0.881,518 0.91,519 0.867,520 0.941,521 1.089,522 0.984,523 1.038,524 0.988,525 1.023,526 0.906,527 1.015,528 1.048,529 1.016,530 1.082,531 1.037,532 0.832,533 1.152,534 0.99,535 1.108,536 0.915,537 1.068,538 1.274,539 0.881,540 1.089,541 0.963,542 1.191,543 0.997,544 3,545 0.011,546 0.889,547 0.66,548 0.488,549 0.292,550 0.163,551 0.104,552 0.084,553 0.041,554 4403,555 10562,556 2.169,557 45.9,559 10,561 4,562 1,565 2,567 1.613,568 2.143,569 3.252,570 -0.32,572 1,574 1,577 54.508,578 1.473,579 3.346,580 4.324,581 4.777,582 4.831,583 4.831,584 2.733,585 3.722,586 4.295,587 3.393,588 644.637,589 7.31,590 6849.91,591 1,592 1,595 192.75,596 0.722,597 4.3,598 0.136,599 0.001,600 0.032,601 0.029,602 0.024,603 0.014,604 0.008,605 0.006,606 0.007,607 0.004,608 0.262,609 0.67,610 1,612 90.424,613 -0.018,614 -0.166,615 0.062,616 -0.066,617 0.043,618 -0.003,619 -0.173,620 -0.022,621 -0.124,622 -0.084,623 -0.07,624 -0.088,625 -0.002,626 0.034,627 -0.127,628 -0.023,629 -0.039,630 -0.084,631 -0.018,632 0.038,633 0.135,634 0.124,635 0.028,636 0.143,637 -0.082,638 -0.093,639 -0.045,640 -0.039,641 -0.082,642 -0.04,643 -0.051,644 0.006,645 -0.093,646 -0.056,647 -0.121,648 -0.076,649 -0.015,650 -0.176,651 -0.027,652 -0.141,653 0.043,654 -0.091,655 -0.07,656 0.065,657 -0.071,658 -0.026,659 -0.059,660 -0.045,661 1.073,662 2.399,663 0.85,664 16.27,665 0.995,666 1.125,667 1.172,668 1.373,669 0.67,670 3.135,671 3.367,672 3.555,673 3.761,674 3.85,675 3.784,676 3.871,677 3.932,678 3.989,679 3.932,680 5.727,681 0.634,682 267.36,683 3.135,684 4.615,685 5.416,686 6.24,687 7.052,688 7.88,689 8.696,690 9.526,691 10.344,692 11.175,693 8.1,695 1,703 2,709 7,710 2,714 3,716 12,733 1,735 37,737 13,739 22,741 39,742 16,743 10,746 2,748 3,749 3,757 2,760 2,762 12,763 4,767 1,774 2,779 1,780 1,783 17,784 4,785 1,786 4,792 3,797 1,798 1,809 2,812 1,815 1,816 2,834 2,838 1,843 3,851 20,858 3,860 1,861 1,863 1,874 2.7,879 1,881 9.333,882 6.4,883 4.5,884 2.197,886 2.777,887 1.429,888 0.986,889 4.167,890 9.248,891 3.401,892 3.892,893 4.394,894 4.896,895 5.384,896 5.426,897 5.812,898 6.141,899 6.539,900 6.787,901 1,902 23,903 7.356,905 3.017,906 7.542,907 14.325,909 11.505,911 2.042,912 40.833,913 0.001,916 188.338,917 101.931,918 51.582,920 11,923 101.931,924 199.338,925 51.582,927 6.746,928 65.392,929 80.655,930 58.804,932 141.253,934 188.338,935 153.513,936 11,939 164.795,940 34.542,943 60.946,944 40.043,945 52.524,947 188.338,948 62.582,949 101.931,952 188.338,953 18.361,954 83.571,955 18.011,956 44.571,957 188.338,958 62.582,959 101.931,961 0.557,962 0.309,963 0.168,964 0.082,965 13,966 4,967 0.103,968 4,970 1,971 3.496,972 140.026,974 17,975 82.439,981 12.98,982 6.42,983 3.737,985 62.582,986 13.112,987 8.23,991 2.979,993 18.011,994 352.851,995 29,1002 4.071,1007 36.818,1008 41.611,1009 0.283,1010 0.642,1011 0.83,1012 0.917,1013 0.927,1014 0.927,1015 4.575,1016 1,1017 5.323,1018 2.452,1019 4.043,1020 4.575,1021 1.029,1022 5.984,1023 3.958,1024 5.709,1025 0.618,1026 6.772,1027 2.136,1028 3.219,1029 3.861,1031 6.475,1032 3.118,1033 6.944,1034 0.603,1035 8.311,1036 1.408,1037 5.485,1038 6.603,1039 0.763,1040 9.539,1041 5.326,1042 8.212,1043 -0.139,1044 9.905,1045 1.372,1046 5.525,1047 6.735,1049 10.87,1050 5.349,1051 9.51,1052 -0.421,1053 11.533,1054 -0.372,1055 7.155,1056 8.884,1057 0.597,1058 13.347,1059 6.927,1060 10.829,1061 -0.851,1062 13.185,1063 -1.038,1064 7.623,1065 9.45,1067 15.037,1068 7.37,1069 12.163,1070 -0.944,1071 14.852,1072 -1.916,1073 8.948,1074 11.291,1075 0.47,1076 17.28,1077 8.648,1078 2.766,1079 -1,1080 16.529,1081 -2.347,1082 9.645,1083 12.114,1085 19.146,1086 9.314,1087 2.55,1088 8.024,1089 18.214,1090 -2.484,1091 10.812,1092 13.767,1093 0.367,1094 21.287,1095 10.439,1096 2.424,1097 7.12,1098 19.905,1099 3.73,1100 11.639,1101 14.754,1103 23.243,1104 11.229,1105 1.977,1106 6.796,1107 21.599,1108 3.483,1109 12.723,1110 16.287,1111 0.283,1112 25.339,1113 12.272,1114 1.495,1115 5.552,1116 23.297,1117 2.771,1118 13.623,1119 17.38,1121 27.344,1122 13.133,1123 1.256,1124 3.152,1125 24.998,1126 2.401,1127 14.664,1128 18.835,1129 0.217,1130 29.421,1131 14.134,1132 1.102,1133 2.728,1134 26.701,1135 2.134,1136 15.606,1137 19.999,1139 31.454,1140 15.035,1141 4176,1142 6559,1143 15.485,1144 24.801,1145 31.961,1146 31.781,1147 31.48,1148 31.627,1149 31.58,1150 41.111,1151 2.52,1152 81.478,1153 30.173,1154 5.047,1155 5.094,1156 5.491,1157 4.812,1158 4.766,1159 6.73,1160 1.72,1161 13.763,1162 4.601,1164 1.453,1165 1.445,1166 1.431,1167 1.438,1168 1.435,1169 1.869,1170 0.115,1171 3.704,1172 1.371,1173 3.965,1174 3.999,1175 3.908,1176 3.871,1177 4.978,1178 3.875,1179 3.844,1180 3.891,1181 3.773,1182 3.715,1183 4.891,1184 3.724,1185 3.755,1186 3.812,1187 3.646,1188 3.608,1189 4.52,1190 3.608,1191 3.271,1192 3.323,1193 3.178,1194 3.138,1195 4.254,1196 3.141,1197 2.932,1198 3.001,1199 2.809,1200 2.735,1201 4.113,1202 2.715,1203 2.854,1204 2.929,1205 2.687,1206 2.704,1207 3.696,1208 2.707,1209 2.822,1210 2.925,1211 2.593,1212 2.605,1213 3.674,1214 2.587,1215 2.699,1216 2.774,1217 2.559,1218 2.497,1219 3.391,1220 2.511,1221 0.187,1222 0.141,1223 0.259,1224 0.169,1225 0.126,1226 4.122,1227 0.17,1228 3.094,1229 0.039,1230 5.689,1231 0.365,1232 3.718,1233 0.121,1234 2.766,1235 3.73,1236 0.86,1237 8.024,1238 2.653,1239 1.912,1240 1.884,1241 2.013,1242 2.02,1243 1.182,1244 2.019,1245 1.781,1246 1.748,1247 1.892,1248 1.922,1249 1.069,1250 1.915,1251 1.546,1252 1.493,1253 1.792,1254 1.726,1255 0.928,1256 1.751,1257 1.411,1258 1.32,1259 1.68,1260 1.695,1261 0.894,1262 1.698,1263 1.239,1264 1.185,1265 1.433,1266 1.405,1267 0.445,1268 1.419,1269 0.886,1270 0.821,1271 1.181,1272 1.062,1273 0.218,1274 1.107,1275 0.749,1276 0.697,1277 0.997,1278 0.98,1279 0.078,1280 0.981,1281 0.659,1282 0.58,1283 0.939,1284 0.892,1285 0.049,1286 0.913,1287 3.807,1289 5.056,1290 2.398,1291 6.488,1292 4.443,1293 7.997,1294 6.26,1295 9.546,1303 2.994,1305 3.289,1306 5.899,1308 0.26,1314 23.467,1315 54.508,1316 123.814,1317 159.995,1318 176.75,1319 178.75,1320 178.75,1321 22.068,1322 6.471,1323 47.04,1324 47.04,1325 17,1326 11.75,1327 3.807,1328 3,1329 30.112,1330 68,1331 60,1332 0.212,1333 145.955,1334 249.79,1335 347.89,1336 5312,1338 13.623,1339 0.681,1340 0.56,1341 13.623,1342 11.197,1343 9.899,1344 0.45,1345 0.309,1346 6.717,1347 9.551,1348 6.597,1349 5.473,1350 9.899,1351 6.806,1352 8.366,1353 0.299,1354 0.171,1355 8.366,1356 4.801,1357 6.741,1358 0.198,1359 0.095,1360 6.741,1361 3.226,1362 5.543,1363 0.132,1364 0.052,1365 5.543,1366 2.179,1367 4,1368 0.087,1369 0.025,1370 4,1371 1.142,1372 0.338,1373 61.71,1374 0.254,1375 20.409,1376 0.567,1377 100,1378 273.359,1379 108.37,1380 265.918,1381 366.83,1382 252,1383 112,1384 268.716,1385 120.594,1386 272.896,1387 390.6,1388 257,1389 5.1}
{0 CHEMBL1966204,1 1.647,2 13.548,3 4.439,4 19.7,5 116.372,6 8.593,7 0.771,8 4.012,9 4.127,10 3.704,11 3.597,12 5.248,13 3.604,14 4.48,15 4.617,16 4.061,17 3.978,18 5.716,19 3.972,20 4.703,21 4.887,22 4.044,23 4.034,24 5.907,25 4.001,26 4.736,27 4.955,28 3.96,29 3.934,30 5.913,31 3.901,32 4.613,33 4.828,34 3.931,35 3.84,36 5.812,37 3.83,38 4.524,39 4.718,40 3.939,41 3.827,42 5.87,43 3.815,44 4.512,45 4.72,46 3.829,47 3.816,48 5.679,49 3.78,50 4.421,51 4.618,52 3.712,53 3.774,54 5.598,55 3.715,56 0.134,57 0.835,58 7.057,59 3.825,60 9.192,61 4.325,62 0.227,63 1.303,64 12.425,65 6.229,66 15.907,67 7.24,68 0.344,69 1.541,70 19.258,71 8.217,72 40.997,73 9.71,74 0.494,75 1.503,76 22.821,77 7.95,78 55.541,79 9.684,80 0.435,81 1.302,82 20.246,83 6.784,84 50.035,85 8.36,86 0.518,87 1.284,88 16.798,89 6.149,90 64.216,91 7.527,92 0.422,93 1.247,94 17.113,95 6.467,96 38.692,97 7.863,98 0.324,99 1.121,100 15.31,101 6.486,102 34.792,103 8.154,104 5,105 49,106 0.272,107 0.588,108 0.721,109 0.841,110 0.86,111 0.86,112 3.472,113 0.827,114 -5.4,115 -5.28,116 -4.93,119 47.9,125 1,142 12,143 4,144 1,146 2,151 1,153 1,158 1,166 2,168 1,172 14,174 1,175 5,178 1,179 1,180 3,183 14,188 11,191 1,193 5,196 7,200 15,203 1,205 7,208 1,212 1,213 11,218 3,221 4,224 1,225 7,228 2,230 2,233 10,237 2,238 4,241 4,246 15,249 1,250 1,258 15,263 2,264 5,269 2,272 8,276 1706,277 21.325,278 21.325,279 21.325,280 21.325,281 21.325,282 18.046,283 17.529,284 12.6,285 21.583,286 17.313,287 17.313,288 17.313,289 17.313,290 17.313,291 12.416,292 24.912,293 6.059,294 17.743,295 3.938,296 2.023,297 1.219,298 0.49,299 0.375,300 0.375,301 4.183,305 1,306 1,307 933,308 3.082,311 156.587,312 293.774,315 130.562,319 2.243,320 30.083,323 0.75,324 1,325 1,326 0.4,328 1,329 1,330 0.74,331 67.5,332 420,333 4.578,334 3.581,335 6.577,336 4.113,337 3.136,338 4.522,339 1.058,340 10.481,341 3.064,342 4.244,343 3.126,344 6.151,345 3.855,346 2.879,347 3.88,348 0.522,349 9.128,350 2.824,351 4.165,352 2.96,353 6.022,354 3.765,355 2.775,356 3.754,358 8.575,359 2.729,360 3.914,361 2.881,362 5.547,363 3.54,364 2.552,365 3.451,367 7.555,368 2.522,369 3.675,370 2.692,371 5.154,372 3.243,373 2.293,374 3.067,376 6.242,377 2.162,378 3.569,379 2.223,380 5.045,381 3.125,382 2.152,383 2.974,385 6.069,386 2.084,387 3.32,388 2.022,389 4.993,390 2.866,391 1.913,392 2.652,394 5.78,395 1.818,396 2.939,397 1.939,398 4.329,399 2.483,400 1.496,401 2.124,403 4.007,404 1.476,405 2.824,406 1.563,407 4.154,408 2.343,409 1.355,410 1.938,412 3.551,413 1.33,414 2.752,415 1.355,416 3.917,417 2.258,418 1.276,419 1.814,421 3.033,422 1.245,423 2.59,424 1.2,425 3.576,426 2.079,427 1.099,428 1.609,430 2.889,431 1.071,432 2.5,433 1,434 3.414,435 2,436 1,437 1.5,439 2.275,440 1,441 2.5,442 1,443 3.281,444 2,445 1,446 1.5,448 2.136,449 1,450 2.207,451 0.822,452 3.247,453 1.71,454 0.729,455 1.067,457 1.742,458 0.713,459 2.089,460 0.676,461 3.237,462 1.596,463 0.608,464 0.889,466 1.509,467 0.599,468 14.519,469 0.468,470 0.691,471 0.022,472 45.75,473 1.476,474 26,475 0.839,476 19.75,477 0.637,478 20.479,479 0.661,480 31.081,481 0.648,482 35.015,483 1.13,484 9.422,485 0.304,486 5.731,487 0.185,488 0.043,490 0.337,494 1,496 0.563,497 0.873,498 0.64,499 0.852,500 0.522,501 0.783,502 0.654,503 1.069,504 0.791,505 1.037,506 0.571,507 0.966,508 1.004,509 1.155,510 1.045,511 1.16,512 0.952,513 1.124,514 1.126,515 1.046,516 1.088,517 1.007,518 1.036,519 1.019,520 1.042,521 0.926,522 0.9,523 0.828,524 0.936,525 0.815,526 0.731,527 0.864,528 0.883,529 0.886,530 0.591,531 0.899,532 0.854,533 0.711,534 1.013,535 0.859,536 0.811,537 0.938,538 0.675,539 0.841,540 0.966,541 1.019,542 0.716,543 1.054,544 6,545 0.134,546 3.333,547 1.639,548 1.352,549 1.004,550 0.54,551 0.409,552 0.25,553 0.26,554 14855,555 43892,556 2.18,557 35.4,559 14,560 1,562 2,567 1.734,568 2.09,569 3.713,570 0.225,572 1,577 79.04,578 1.647,579 3.562,580 4.366,581 5.095,582 5.21,583 5.21,584 3.232,585 4.632,586 4.921,587 3.868,588 1798.81,589 8.586,590 26220.9,592 1,594 1,595 268.078,596 1.215,597 4.907,598 0.171,599 0.005,600 0.068,601 0.036,602 0.033,603 0.024,604 0.013,605 0.011,606 0.008,607 0.008,608 0.378,609 0.17,610 0.88,611 0.415,612 163.088,613 0.066,614 0.122,615 0.044,616 0.055,617 -0.033,618 0.042,619 0.046,620 -0.089,621 -0.033,622 -0.112,623 0.022,624 -0.1,625 -0.101,626 -0.178,627 -0.13,628 -0.194,629 -0.061,630 -0.175,631 -0.137,632 -0.127,633 -0.073,634 -0.063,635 -0.089,636 -0.05,637 -0.106,638 -0.078,639 0.102,640 0.098,641 -0.035,642 0.143,643 0.189,644 0.084,645 0.049,646 0.028,647 0.238,648 0.013,650 0.224,651 -0.065,652 0.074,653 -0.067,654 0.007,655 0.085,656 0.047,657 -0.032,658 -0.023,659 0.042,660 -0.048,661 2.062,662 5.492,663 0.839,664 36.747,665 1.016,666 1.126,667 4.167,668 17.368,669 0.708,670 3.584,671 3.912,672 4.19,673 4.454,674 4.663,675 4.762,676 4.913,677 5.081,678 5.198,679 5.323,680 7.693,681 0.696,682 412.46,683 3.584,684 5.13,685 5.984,686 6.86,687 7.729,688 8.609,689 9.486,690 10.37,691 11.251,692 12.138,693 12.5,700 1,701 2,703 3,708 2,709 13,710 3,711 1,714 6,715 1,716 27,723 1,734 1,735 48,737 28,738 3,739 35,741 52,742 23,743 21,744 6,745 12,746 1,748 5,749 6,762 22,763 1,767 1,772 1,776 1,780 1,781 1,783 17,784 6,785 2,786 8,792 6,797 0.8,798 1,807 1,815 2,816 3,819 1,843 4,849 1,851 31,858 1,860 1,871 1,873 1,874 2.1,877 1,881 14.833,882 8.693,883 6.694,884 2.731,886 4.903,887 1.593,888 1.053,889 5.028,890 13.173,891 3.922,892 4.57,893 5.19,894 5.8,895 6.304,896 6.639,897 7.104,898 7.579,899 7.945,900 8.355,901 1,902 46,903 11.418,905 4.976,906 7.871,907 21.416,909 17.672,911 2.371,912 73.5,915 1,916 176.567,917 158.052,918 86.317,920 25.145,921 14.96,923 158.052,924 201.711,925 101.277,927 20.116,928 122.762,929 79.716,930 46.919,931 26.731,932 164.795,934 176.567,935 244.369,936 40.105,939 191.527,940 25.145,943 45.785,944 148.718,945 49.867,947 191.527,948 111.462,949 158.052,952 176.567,953 35.29,954 124.539,955 34.674,956 89.972,957 176.567,958 126.422,959 158.052,961 0.583,962 0.337,963 0.179,964 0.097,965 25,966 10,967 0.096,968 5,969 1,970 1.077,971 4.408,972 282.404,973 0.077,974 26,975 145.58,981 19.164,982 8.133,983 4.09,984 1.445,985 107.982,986 22.918,987 12.73,988 2.845,991 3.121,992 1.779,993 34.674,994 461.041,995 49.5,1000 12.492,1004 -0.357,1007 48.752,1008 54.03,1009 0.295,1010 0.638,1011 0.782,1012 0.912,1013 0.933,1014 0.933,1015 5.14,1016 1.496,1017 5.958,1018 5.78,1019 4.595,1020 5.257,1021 1.331,1022 6.749,1023 4.548,1024 6.36,1025 1.355,1026 7.501,1027 4.007,1028 4.111,1029 4.997,1031 7.573,1032 4.029,1033 7.666,1034 1.276,1035 9.139,1036 3.551,1037 6.172,1038 7.499,1039 1.297,1040 10.663,1041 6.08,1042 9.009,1043 1.099,1044 10.834,1045 3.033,1046 6.524,1047 8.103,1049 12.332,1050 6.403,1051 10.383,1052 1,1053 12.566,1054 2.889,1055 8.021,1056 10.023,1057 1.348,1058 14.914,1059 7.889,1060 11.78,1061 1,1062 14.325,1063 2.275,1064 8.76,1065 11.05,1067 16.94,1068 8.602,1069 13.194,1070 0.729,1071 16.102,1072 2.136,1073 10.025,1074 12.721,1075 1.425,1076 19.347,1077 9.854,1078 3.136,1079 0.608,1080 17.894,1081 1.742,1082 10.952,1083 13.969,1085 21.533,1086 10.756,1087 2.879,1088 10.481,1089 19.698,1090 1.509,1091 12.12,1092 15.529,1093 1.51,1094 23.88,1095 11.907,1096 2.775,1097 9.128,1098 21.511,1099 4.522,1100 13.14,1101 16.895,1103 26.14,1104 12.903,1105 2.552,1106 8.575,1107 23.331,1108 3.88,1109 14.269,1110 18.409,1111 1.599,1112 28.469,1113 14.013,1114 2.293,1115 7.555,1116 25.158,1117 3.754,1118 15.336,1119 19.837,1121 30.766,1122 15.056,1123 2.152,1124 6.242,1125 26.991,1126 3.451,1127 16.452,1128 21.335,1129 1.69,1130 33.093,1131 16.151,1132 1.913,1133 6.069,1134 28.828,1135 3.067,1136 17.543,1137 22.796,1139 35.409,1140 17.219,1141 13680,1142 23709,1143 24.156,1144 33.995,1145 53.304,1146 53.829,1147 53.292,1148 52.637,1149 52.525,1150 73.478,1151 3.16,1152 149.942,1153 51.272,1154 5.413,1155 5.581,1156 6.379,1157 5.153,1158 5.136,1159 7.522,1160 2.117,1161 17.286,1162 5.064,1163 10.665,1164 1.523,1165 1.538,1166 1.523,1167 1.504,1168 1.501,1169 2.099,1170 0.09,1171 4.284,1172 1.465,1173 4.131,1174 4.173,1175 4.102,1176 4.021,1177 8.201,1178 4.034,1179 3.95,1180 4.002,1181 3.897,1182 3.856,1183 7.429,1184 3.854,1185 3.914,1186 3.938,1187 3.867,1188 3.839,1189 5.139,1190 3.842,1191 3.773,1192 3.829,1193 3.725,1194 3.567,1195 5.027,1196 3.605,1197 3.422,1198 3.478,1199 3.365,1200 3.209,1201 4.737,1202 3.239,1203 3.226,1204 3.269,1205 3.18,1206 3.014,1207 4.599,1208 3.043,1209 3.04,1210 3.106,1211 2.916,1212 2.898,1213 4.324,1214 2.898,1215 2.865,1216 2.927,1217 2.765,1218 2.735,1219 3.91,1220 2.723,1221 0.131,1222 0.102,1223 0.188,1224 0.118,1225 0.09,1226 4.578,1227 0.129,1228 3.581,1229 0.03,1230 6.577,1231 0.299,1232 4.113,1233 0.088,1234 3.136,1235 4.522,1236 1.058,1237 10.481,1238 3.064,1239 1.951,1240 1.931,1241 2.046,1242 2.031,1243 1.185,1244 2.034,1245 1.912,1246 1.882,1247 2.016,1248 2.009,1249 1.151,1250 2.014,1251 1.887,1252 1.865,1253 1.981,1254 1.975,1255 1.059,1256 1.978,1257 1.463,1258 1.407,1259 1.617,1260 1.745,1261 0.76,1262 1.693,1263 1.417,1264 1.346,1265 1.537,1266 1.695,1267 0.547,1268 1.67,1269 1.214,1270 1.154,1271 1.336,1272 1.455,1273 0.431,1274 1.408,1275 1.051,1276 1.024,1277 1.181,1278 1.322,1279 0.218,1280 1.268,1281 0.886,1282 0.821,1283 1.181,1284 1.071,1285 0.218,1286 1.107,1287 4.263,1289 5.587,1290 3.045,1291 7.094,1292 5.352,1293 8.68,1294 7.402,1295 10.308,1299 13.105,1303 0.626,1305 2.797,1314 33.387,1315 79.04,1316 170.953,1317 209.549,1318 244.568,1319 250.078,1320 250.078,1321 49.74,1322 8.27,1323 88.49,1324 88.49,1325 28,1326 12.67,1327 4.858,1328 3.954,1329 43.78,1330 142,1331 145,1332 0.148,1333 202.331,1334 336.7,1335 485.449,1336 52045,1337 2.1,1338 21.209,1339 0.684,1340 0.525,1341 20.338,1342 16.288,1343 15.153,1344 0.433,1345 0.276,1346 9.511,1347 14.552,1348 9.357,1349 7.746,1350 14.759,1351 9.651,1352 13.746,1353 0.281,1354 0.144,1355 13.124,1356 7.079,1357 11.782,1358 0.181,1359 0.076,1360 11.371,1361 4.921,1362 9.776,1363 0.115,1364 0.039,1365 9.624,1366 3.33,1367 7.791,1368 0.074,1369 0.021,1370 7.58,1371 2.192,1372 0.237,1373 95.198,1374 0.203,1375 29.542,1376 0.394,1377 168,1378 551.093,1379 185.174,1380 516.657,1381 707.1,1382 482,1383 198,1384 533.134,1385 216.059,1386 533.529,1387 773.33,1388 502,1389 5.5}
{0 CHEMBL1966279,1 1.733,2 14.706,3 1.622,4 2.631,5 128.796,6 8.379,7 0.486,8 4.152,9 4.258,10 3.93,11 3.744,12 5.318,13 3.715,14 4.654,15 4.789,16 4.221,17 4.125,18 6.01,19 4.078,20 4.931,21 5.113,22 4.31,23 4.258,24 6.168,25 4.195,26 4.974,27 5.163,28 4.269,29 4.2,30 6.265,31 4.15,32 4.912,33 5.096,34 4.223,35 4.151,36 6.182,37 4.104,38 4.869,39 5.051,40 4.073,41 4.108,42 6.333,43 4.027,44 4.786,45 5.001,46 3.882,47 4.01,48 5.917,49 3.901,50 4.661,51 4.882,52 3.843,53 3.858,54 5.847,55 3.766,56 0.169,57 0.887,58 12.45,59 5.211,60 25.788,61 5.811,62 0.451,63 1.359,64 19.564,65 8.727,66 65.473,67 10.369,68 0.469,69 1.69,70 32.707,71 12.24,72 74.116,73 14.416,74 0.673,75 1.706,76 34.5,77 11.656,78 105.396,79 13.177,80 0.646,81 1.596,82 33.596,83 10.866,84 105.889,85 12.429,86 0.924,87 1.482,88 30.223,89 11.048,90 158.25,91 13.166,92 0.474,93 1.354,94 26.841,95 10.524,96 78.799,97 13.217,98 0.43,99 1.231,100 26.015,101 9.06,102 64.918,103 11.234,104 31,105 52,106 0.279,107 0.574,108 0.721,109 0.842,110 0.883,111 0.889,112 3.56,113 0.978,114 -3.53,115 -3.5,116 -3.34,119 42.1,121 1,125 2,142 12,143 4,144 2,157 1,158 2,163 1,164 1,165 1,168 1,172 14,174 1,175 4,178 4,180 6,183 15,185 1,187 1,188 12,193 9,196 11,200 15,204 1,205 8,207 1,208 10,213 8,218 5,221 17,224 2,225 3,227 2,228 6,229 1,230 1,233 15,238 2,242 1,243 4,246 9,248 2,249 1,250 7,255 7,258 4,260 2,264 8,267 2,269 5,272 5,274 1,276 2068,277 22.877,278 22.877,279 22.877,280 22.877,281 22.877,282 20.074,283 19.367,284 13.579,285 23.143,286 18.215,287 18.215,288 18.215,289 18.215,290 18.215,291 13.805,292 18.535,293 6.365,294 18.621,295 4.1,296 2.266,297 1.358,298 0.603,299 0.351,300 0.316,301 4.254,305 1,306 1,307 1074,308 4.243,312 437.93,316 170.087,319 2.37,320 48.842,323 1,324 0.67,325 1,326 0.6,328 0.83,329 0.5,330 0.66,331 74.5,332 500,333 4.85,334 4.684,335 7.297,336 4.302,337 3.382,338 4.703,339 1.058,340 12.431,341 3.166,342 4.539,343 3.621,344 6.786,345 4.181,346 3.187,347 4.165,348 0.98,349 11.148,350 3.086,351 4.172,352 3.568,353 6.064,354 3.814,355 2.819,356 3.713,358 8.751,359 2.796,360 4.033,361 3.088,362 6.016,363 3.637,364 2.634,365 3.6,367 8.482,368 2.636,369 3.699,370 2.559,371 5.348,372 3.301,373 2.317,374 3.068,376 6.905,377 2.274,378 3.381,379 2.279,380 5.04,381 2.967,382 1.963,383 2.638,385 5.593,386 1.962,387 3.309,388 2.19,389 4.875,390 2.836,391 1.84,392 2.584,394 5.13,395 1.827,396 3.015,397 1.856,398 4.377,399 2.597,400 1.621,401 2.191,403 4.146,404 1.578,405 2.728,406 1.73,407 4.033,408 2.531,409 1.543,410 1.778,412 3.254,413 1.522,414 2.709,415 1.501,416 3.638,417 2.264,418 1.275,419 1.747,421 2.956,422 1.258,423 2.623,424 1.341,425 3.603,426 2.18,427 1.184,428 1.616,430 2.845,431 1.172,432 2.541,433 1.268,434 3.595,435 2.04,436 1.034,437 1.51,439 2.455,440 1.036,441 2.5,442 1.185,443 3.467,444 2,445 1,446 1.5,448 2.297,449 1,450 2.494,451 1,452 3.414,453 1.926,454 0.922,455 1.405,457 2.275,458 0.921,459 1.784,460 0.951,461 3.067,462 1.64,463 0.703,464 0.74,466 1.189,467 0.656,468 16.167,469 0.475,470 0.872,471 0.026,472 47,473 1.382,474 26,475 0.765,476 21,477 0.618,478 25.713,479 0.756,480 36.033,481 0.632,482 40.71,483 1.197,484 9.378,485 0.276,486 7.008,487 0.206,488 0.107,489 0.052,490 0.278,496 0.599,497 1.083,498 0.802,499 1.067,500 0.656,501 0.844,502 0.546,503 1.1,504 0.861,505 1.017,506 0.563,507 0.989,508 0.901,509 1.131,510 1.031,511 1.105,512 0.835,513 0.96,514 1.376,515 1.015,516 1.12,517 0.982,518 1.298,519 0.935,520 1.354,521 1.025,522 1.124,523 1.054,524 1.345,525 0.952,526 0.911,527 0.85,528 1.116,529 1.017,530 0.997,531 1.093,532 0.939,533 0.977,534 0.896,535 0.964,536 0.999,537 1.081,538 0.923,539 1.08,540 1.007,541 1.046,542 0.872,543 1.01,544 7,545 0.194,546 4.667,547 2.5,548 2.009,549 1.333,550 0.584,551 0.516,552 0.39,553 0.241,554 17983,555 55881,556 2.052,557 40.4,559 16,562 5,565 2,567 1.756,568 1.915,569 3.797,570 2.336,577 98.784,578 1.733,579 3.567,580 4.475,581 5.23,582 5.482,583 5.517,584 3.293,585 4.735,586 5.059,587 3.998,588 2243.06,589 8.846,590 35612,595 332.475,596 1.533,597 5.01,598 0.189,599 0.006,600 0.09,601 0.045,602 0.039,603 0.027,604 0.014,605 0.015,606 0.012,607 0.008,608 0.444,609 0.17,610 0.75,611 1.304,612 185.22,613 0.026,614 0.107,615 0.158,616 0.033,617 -0.128,618 0.084,619 0.223,620 -0.005,621 0.005,622 -0.018,623 0.153,624 -0.055,625 -0.033,626 -0.113,627 0.012,628 -0.044,629 0.014,630 0.035,631 -0.222,632 -0.001,633 -0.083,634 0.012,635 -0.141,636 0.013,637 -0.211,638 -0.021,639 -0.078,640 -0.038,641 -0.181,642 0.005,643 0.198,644 0.118,645 -0.16,646 -0.04,647 0.167,648 -0.127,649 -0.07,650 -0.068,651 -0.012,652 -0.019,653 -0.106,654 -0.059,655 -0.027,656 -0.112,657 0.021,658 -0.045,659 -0.006,660 0.002,661 4.653,662 5.726,663 0.647,664 39.862,665 1.015,666 1.123,667 2.296,668 5.273,669 0.69,670 3.638,671 3.97,672 4.234,673 4.466,674 4.718,675 4.762,676 4.868,677 4.949,678 5.05,679 5.088,680 8.449,681 0.665,682 477.59,683 3.638,684 5.187,685 6.038,686 6.921,687 7.792,688 8.679,689 9.558,690 10.448,691 11.33,692 12.22,693 8.8,694 1,695 1,700 2,702 1,709 12,714 6,716 18,723 1,735 57,737 23,738 3,739 37,741 60,742 24,743 18,744 6,745 12,746 3,748 4,749 5,751 1,754 1,760 1,762 21,763 3,767 5,770 1,772 4,775 1,776 3,783 23,784 9,785 5,786 10,787 1,792 5,797 0.75,798 4,816 4,820 1,836 1,843 3,845 1,851 34,852 1,855 1,858 3,860 3,874 7,877 4,881 17.75,882 9.867,883 7.514,884 3.225,886 3.857,887 1.476,888 1.013,889 7.081,890 11.957,891 3.951,892 4.559,893 5.101,894 5.638,895 6.189,896 6.412,897 6.783,898 7.051,899 7.389,900 7.676,901 0.9,902 56,903 12.846,905 5.824,906 8.056,907 23.437,909 19.362,911 2.556,912 86.917,916 211.88,917 155.484,918 101.864,920 94.603,922 5.807,923 149.677,924 306.483,925 101.864,927 75.542,928 135.927,929 106.769,930 33.713,932 211.88,934 211.88,935 251.541,936 94.603,937 5.807,939 188.338,940 118.145,943 108.61,944 142.931,945 5.807,947 211.88,948 196.467,949 155.484,951 5.807,952 211.88,953 35.962,954 113.715,955 52.304,956 144.163,957 211.88,958 196.467,959 155.484,961 0.581,962 0.34,963 0.178,964 0.1,965 24,966 11,967 0.133,968 8,969 1,970 1.091,971 4.469,972 311.329,973 0.091,974 22,975 166.974,980 1,981 23.645,982 10.182,983 5.366,985 196.467,986 19.984,991 2.764,993 85.201,994 563.831,995 51,998 -3.736,1000 49.568,1003 4.18,1004 -0.088,1007 57.847,1008 63.986,1009 0.297,1010 0.612,1011 0.767,1012 0.897,1013 0.94,1014 0.946,1015 5.19,1016 1.621,1017 6.047,1018 5.13,1019 4.654,1020 5.247,1021 1.641,1022 6.899,1023 4.611,1024 6.424,1025 1.543,1026 7.64,1027 4.146,1028 4.369,1029 5.247,1031 8.078,1032 4.271,1033 7.768,1034 1.275,1035 9.348,1036 3.254,1037 6.323,1038 7.527,1039 1.677,1040 11.129,1041 6.211,1042 9.156,1043 1.184,1044 11.128,1045 2.956,1046 6.878,1047 8.364,1049 13.14,1050 6.692,1051 10.581,1052 1.034,1053 12.955,1054 2.845,1055 8.331,1056 10.157,1057 1.719,1058 15.779,1059 8.125,1060 12.033,1061 1,1062 14.814,1063 2.455,1064 9.249,1065 11.36,1067 18.091,1068 8.965,1069 13.506,1070 0.922,1071 16.697,1072 2.297,1073 10.521,1074 12.977,1075 1.766,1076 20.618,1077 10.205,1078 3.382,1079 0.703,1080 18.596,1081 2.275,1082 11.594,1083 14.348,1085 23.042,1086 11.203,1087 3.187,1088 12.431,1089 20.509,1090 1.189,1091 12.806,1092 15.9,1093 1.817,1094 25.542,1095 12.369,1096 2.819,1097 11.148,1098 22.433,1099 4.703,1100 13.945,1101 17.351,1103 28.009,1104 13.439,1105 2.634,1106 8.751,1107 24.365,1108 4.165,1109 15.139,1110 18.882,1111 1.874,1112 30.505,1113 14.578,1114 2.317,1115 8.482,1116 26.303,1117 3.713,1118 16.308,1119 20.372,1121 32.992,1122 15.68,1123 1.963,1124 6.905,1125 28.248,1126 3.6,1127 17.499,1128 21.899,1129 1.935,1130 35.491,1131 16.812,1132 1.84,1133 5.593,1134 30.198,1135 3.068,1136 18.683,1137 23.411,1139 37.988,1140 17.929,1141 17257,1142 30583,1143 24.444,1144 39.347,1145 55.617,1146 58.306,1147 57.056,1148 55.22,1149 55.148,1150 74.288,1151 4.076,1152 160.429,1153 54.093,1154 5.734,1155 6.684,1156 7.196,1157 5.356,1158 5.382,1159 7.703,1160 2.117,1161 19.798,1162 5.166,1163 17.837,1164 1.503,1165 1.576,1166 1.542,1167 1.492,1168 1.49,1169 2.008,1170 0.11,1171 4.336,1172 1.462,1173 4.095,1174 4.094,1175 4.735,1176 4.072,1177 7.717,1178 4.005,1179 4.019,1180 4.028,1181 4,1182 3.956,1183 7.431,1184 3.945,1185 3.852,1186 3.878,1187 3.824,1188 3.78,1189 7.427,1190 3.776,1191 3.717,1192 3.76,1193 3.719,1194 3.611,1195 6.999,1196 3.567,1197 3.554,1198 3.58,1199 3.439,1200 3.401,1201 5.008,1202 3.368,1203 3.402,1204 3.46,1205 3.338,1206 3.193,1207 4.889,1208 3.218,1209 3.27,1210 3.306,1211 3.221,1212 3.049,1213 4.682,1214 3.079,1215 3.052,1216 3.131,1217 3.002,1218 2.907,1219 4.645,1220 2.921,1221 0.131,1222 0.127,1223 0.197,1224 0.116,1225 0.091,1226 4.85,1227 0.127,1228 4.684,1229 0.029,1230 7.297,1231 0.336,1232 4.302,1233 0.086,1234 3.382,1235 4.703,1236 1.058,1237 12.431,1238 3.166,1239 1.996,1240 1.986,1241 2.07,1242 2.088,1243 1.232,1244 2.09,1245 1.967,1246 1.963,1247 1.998,1248 2.042,1249 1.184,1250 2.066,1251 1.837,1252 1.813,1253 1.941,1254 1.932,1255 1.132,1256 1.942,1257 1.663,1258 1.616,1259 1.9,1260 1.861,1261 1.034,1262 1.88,1263 1.429,1264 1.43,1265 1.447,1266 1.632,1267 0.653,1268 1.656,1269 1.303,1270 1.255,1271 1.43,1272 1.56,1273 0.45,1274 1.53,1275 1.157,1276 1.124,1277 1.308,1278 1.426,1279 0.399,1280 1.396,1281 1,1282 0.969,1283 1.183,1284 1.276,1285 0.287,1286 1.305,1287 4.317,1289 5.645,1291 7.179,1293 8.804,1295 10.477,1301 5.401,1303 1.11,1305 7.735,1314 37.894,1315 98.784,1316 203.316,1317 255.091,1318 298.11,1319 312.475,1320 314.475,1321 86.782,1322 8.1,1323 147.04,1324 155.42,1325 24,1326 12.75,1327 4.585,1328 3.907,1329 57.275,1330 176,1331 190,1332 0.159,1333 237.372,1334 418.61,1335 570.947,1336 42670,1338 24.131,1339 0.71,1340 0.557,1341 24.381,1342 18.932,1343 16.386,1344 0.443,1345 0.326,1346 10.574,1347 15.049,1348 10.27,1349 8.525,1350 17.207,1351 12.062,1352 14.894,1353 0.286,1354 0.179,1355 16.217,1356 9.313,1357 12.362,1358 0.182,1359 0.098,1360 13.457,1361 6.65,1362 9.954,1363 0.116,1364 0.053,1365 10.828,1366 4.565,1367 8.273,1368 0.075,1369 0.029,1370 9.094,1371 3.229,1372 0.257,1373 110.78,1374 0.202,1375 31.932,1376 0.414,1377 178,1378 567.759,1379 231.193,1380 572.033,1381 769.09,1382 526,1383 209,1384 532.94,1385 268.679,1386 575.763,1387 838.92,1388 541,1389 6.3}
{0 CHEMBL1966343,1 1.549,2 8,3 3.188,4 10.161,5 75.911,6 7.324,7 0.714,8 3.673,9 3.806,10 3.231,11 3.19,12 4.809,13 3.173,14 4.168,15 4.345,16 3.584,17 3.581,18 5.198,19 3.544,20 4.361,21 4.573,22 3.508,23 3.637,24 5.361,25 3.556,26 4.466,27 4.734,28 3.405,29 3.554,30 5.389,31 3.461,32 4.179,33 4.41,34 3.237,35 3.336,36 5.181,37 3.268,38 4.041,39 4.256,40 3.1,41 3.169,42 5.075,43 3.096,44 3.825,45 4.05,46 2.932,47 3.045,48 4.858,49 2.961,50 3.794,51 4.046,52 2.567,53 3.021,54 4.595,55 2.845,56 0.107,57 0.545,58 7.539,59 3.018,60 10.823,61 4.104,62 0.067,63 0.841,64 13.125,65 5.199,66 12.81,67 7.275,68 0.137,69 0.943,70 16.827,71 6.062,72 21.422,73 8.703,74 0.254,75 0.924,76 20.666,77 6.205,78 30.77,79 9.321,80 0.172,81 0.725,82 14.763,83 4.462,84 21.954,85 6.519,86 0.324,87 0.596,88 13.169,89 4.056,90 25.625,91 5.714,92 0.185,93 0.541,94 10.167,95 3.339,96 18.296,97 4.782,98 0.055,99 0.499,100 9.711,101 3.769,102 10.597,103 5.575,104 12,105 30,106 0.283,107 0.669,108 0.783,109 0.824,110 0.824,111 0.824,112 3.011,113 0.904,114 -3.89,115 -3.85,116 -3.65,119 40,120 2,121 1,122 1,142 4,143 2,146 1,147 1,152 2,163 1,164 1,165 1,166 1,168 1,172 7,175 5,177 1,178 1,180 3,183 9,185 1,188 7,192 1,193 3,195 1,196 5,198 1,200 9,205 3,208 5,210 2,213 4,218 1,221 3,223 1,224 1,225 1,227 1,228 2,230 2,233 6,235 1,237 1,240 1,241 2,246 6,250 1,255 2,258 4,260 1,264 1,269 2,274 1,276 406,277 12.671,278 12.671,279 12.671,280 12.671,281 12.671,282 10.958,283 6.8,284 7.371,285 12.805,286 10.376,287 10.376,288 10.376,289 10.376,290 10.376,291 7.779,292 3.971,293 3.522,294 10.578,295 3.58,296 1.465,297 0.843,298 0.615,299 0.615,300 0.615,301 3.685,304 1,305 1,306 1,307 327,308 2.646,311 89.696,312 44.819,315 71.905,319 1.368,320 12.942,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 41,332 152,333 4.56,334 3.131,335 6.522,336 4.09,337 3.107,338 4.511,340 10.234,341 3.056,342 4.219,343 2.92,344 6.132,345 3.82,346 2.836,347 3.865,349 9.04,350 2.787,351 3.675,352 2.528,353 5.39,354 3.396,355 2.408,356 3.059,358 7.052,359 2.379,360 3.308,361 1.994,362 4.952,363 2.939,364 1.957,365 2.639,367 5.416,368 1.922,369 3.099,370 1.885,371 4.538,372 2.805,373 1.843,374 2.196,376 4.792,377 1.769,378 2.773,379 1.4,380 4.185,381 2.334,382 1.353,383 1.869,385 3.725,386 1.326,387 2.587,388 1.183,389 3.974,390 2.126,391 1.143,392 1.622,394 3.066,395 1.122,396 2.202,397 0.76,398 3.276,399 1.72,400 0.732,401 1.064,403 1.732,404 0.722,405 2.081,406 0.632,407 3.216,408 1.594,409 0.61,410 0.889,412 1.487,413 0.599,414 0.971,415 -0.112,416 2.613,417 0.704,418 -0.288,419 -0.329,421 -0.763,422 -0.286,423 0.787,424 -0.354,425 2.34,426 0.501,427 -0.467,428 -0.593,430 -1.152,431 -0.45,432 0.652,433 -0.786,434 2.155,435 0.175,436 -0.815,437 -1,439 -2,440 -0.807,441 0.235,442 -1,443 2,445 -1,446 -1.141,448 -2.487,449 -1,450 0.026,451 -1.026,452 1.695,453 -0.149,454 -1.09,455 -1.437,457 -2.981,458 -1.026,460 -1.339,461 1.393,462 -0.402,463 -1.381,464 -1.671,466 -3.689,467 -1.344,468 8.933,469 0.47,470 0.541,471 0.028,472 24.5,473 1.289,474 12.5,475 0.658,476 12,477 0.632,478 13.919,479 0.733,480 20.467,481 0.585,482 14.959,483 0.787,484 4.639,485 0.244,486 4.492,487 0.236,488 0.157,490 0.392,496 0.739,497 1.008,498 0.811,499 0.955,500 1.011,501 0.9,502 0.697,503 1.18,504 0.71,505 1.058,506 0.535,507 0.915,508 0.903,509 1.178,510 1.022,511 1.198,512 0.837,513 1.14,514 1.244,515 0.909,516 0.911,517 0.835,518 1.028,519 0.829,520 1.463,521 1.038,522 1.1,523 1.026,524 1.304,525 1.008,526 1.516,527 0.97,528 1.118,529 0.972,530 1.121,531 1.019,532 1.064,533 0.918,534 1.086,535 0.997,536 1.013,537 1.054,538 0.441,539 1.192,540 1.154,541 1.371,542 0.77,543 1.37,544 4.5,545 0.04,546 2.222,547 1.326,548 0.818,549 0.625,550 0.278,551 0.209,552 0.101,553 0.127,554 3289,555 8004,556 2.081,557 45.7,558 7,559 4,562 3,563 2,567 1.6,568 1.932,569 3.016,570 1.148,572 1,574 1,577 54.222,578 1.549,579 3.664,580 4.286,581 4.515,582 4.515,583 4.515,584 2.465,585 4.037,586 4.218,587 3.164,588 541.05,589 7.173,590 5271.87,591 1,592 1,594 1,595 179.525,596 1.462,597 4.171,598 0.214,599 0.007,600 0.074,601 0.051,602 0.036,603 0.033,604 0.017,605 0.015,606 0.011,607 0.018,608 0.476,609 0.67,610 1,611 1.091,612 82.239,613 0.175,614 0.215,615 0.051,616 0.104,617 -0.061,618 0.067,619 0.09,620 -0.089,621 0.18,622 0.004,623 0.212,624 0.09,625 -0.033,626 -0.148,627 -0.099,628 -0.184,629 0.004,630 -0.156,631 -0.116,632 -0.007,633 0.103,634 0.117,635 -0.02,636 0.141,637 -0.208,638 -0.052,639 -0.109,640 -0.078,641 -0.2,642 -0.071,643 0.13,644 -0.041,645 -0.091,646 -0.01,647 0.088,648 -0.087,649 0.034,650 0.109,651 -0.12,652 -0.039,653 0.058,654 -0.111,655 -0.008,656 -0.245,657 -0.254,658 -0.329,659 -0.155,660 -0.331,661 1.168,662 1.896,663 0.737,664 13.269,665 1.001,666 1.134,667 2.662,668 7.088,669 0.658,670 3.091,671 3.434,672 3.689,673 3.97,674 4.094,675 4.205,676 4.331,677 4.407,678 4.394,679 4.357,680 4.969,681 0.627,682 256.34,683 3.091,684 4.635,685 5.485,686 6.372,687 7.242,688 8.132,689 9.011,690 9.903,691 10.786,692 11.678,693 11.4,697 1,701 1,703 2,708 2,709 4,710 2,711 1,712 1,714 4,716 15,727 1,735 35,737 15,738 1,739 21,741 37,742 14,743 10,744 3,745 3,748 3,749 4,754 2,760 1,762 10,763 4,764 1,780 1,783 16,784 4,785 3,786 5,791 1,792 4,797 0.667,798 1,807 1,815 2,816 1,819 1,843 2,847 2,851 19,852 1,858 1,863 1,874 2.9,879 1,881 9.833,882 6.817,883 4.083,884 2.128,886 2.927,887 1.44,888 0.999,889 3.03,890 9.58,891 3.384,892 4.052,893 4.696,894 5.345,895 5.787,896 6.212,897 6.685,898 7.128,899 7.354,900 7.59,901 1,902 26,903 6.965,905 2.933,906 7.649,907 13.394,909 11.01,911 2.149,912 40.833,913 0.001,916 153.024,917 76.526,918 85.82,920 9.734,923 76.526,924 162.758,925 85.82,926 17.65,927 2.535,928 70.802,929 36.26,930 34.912,931 9.921,932 153.024,934 153.024,935 162.346,936 9.734,939 153.024,940 9.734,943 39.605,944 86.482,945 36.26,947 153.024,948 95.554,949 76.526,952 153.024,953 20.971,954 55.555,955 16.663,956 78.891,957 153.024,958 95.554,959 76.526,961 0.589,962 0.329,963 0.18,964 0.091,965 16,966 7,967 0.081,968 3,969 1,970 1.143,971 3.172,972 140.718,973 0.143,974 14,975 78.711,981 12.24,982 4.704,983 2.359,984 1.822,985 78.891,986 7.865,987 8.075,988 2.877,989 5.396,991 3.199,993 49.56,994 325.104,995 28.5,1007 35.036,1008 39.694,1009 0.302,1010 0.714,1011 0.836,1012 0.88,1013 0.88,1014 0.88,1015 4.613,1016 0.732,1017 5.485,1018 3.066,1019 4.111,1020 4.736,1022 6.297,1023 4.074,1024 5.845,1025 0.61,1026 7.045,1027 1.732,1028 3.761,1029 4.62,1031 7.182,1032 3.705,1033 7.165,1034 -0.288,1035 8.7,1036 1.487,1037 5.707,1038 7.028,1040 10.262,1041 5.639,1042 8.524,1043 -0.467,1044 10.411,1045 -0.763,1046 6.155,1047 7.78,1049 11.973,1050 6.067,1051 9.916,1052 -0.815,1053 12.157,1054 -1.152,1055 7.591,1056 9.638,1058 14.556,1059 7.493,1060 11.331,1061 -1,1062 13.929,1063 -2,1064 8.398,1065 10.79,1067 16.608,1068 8.279,1069 12.765,1070 -1.09,1071 15.72,1072 -2.487,1073 9.635,1074 12.426,1076 19.014,1077 9.505,1078 3.107,1079 -1.381,1080 17.524,1081 -2.981,1082 10.607,1083 13.764,1085 21.211,1086 10.457,1087 2.836,1088 10.234,1089 19.34,1090 -3.689,1091 11.765,1092 15.311,1094 23.552,1095 11.602,1096 2.408,1097 9.04,1098 21.164,1099 4.511,1100 12.814,1101 16.734,1103 25.811,1104 12.632,1105 1.957,1106 7.052,1107 22.995,1108 3.865,1109 13.942,1110 18.247,1112 28.131,1113 13.745,1114 1.843,1115 5.416,1116 24.832,1117 3.059,1118 15.025,1119 19.71,1121 30.418,1122 14.811,1123 1.353,1124 4.792,1125 26.673,1126 2.639,1127 16.144,1128 21.211,1130 32.731,1131 15.914,1132 1.143,1133 3.725,1134 28.518,1135 2.196,1136 17.245,1137 22.692,1139 35.032,1140 16.998,1141 3240,1142 5199,1143 13.929,1144 23.046,1145 32.582,1146 31.941,1147 32.943,1148 31.991,1149 31.978,1150 43.432,1152 93.089,1153 31.363,1154 5.32,1155 5.131,1156 5.872,1157 5.109,1158 5.107,1159 7.511,1161 16.761,1162 5.056,1163 9.288,1164 1.552,1165 1.521,1166 1.569,1167 1.523,1168 1.523,1169 2.068,1171 4.433,1172 1.493,1173 4.124,1174 4.16,1175 4.092,1176 4.017,1177 5.27,1178 4.03,1179 3.875,1180 3.912,1181 3.828,1182 3.714,1183 5.188,1184 3.729,1185 3.598,1186 3.656,1187 3.451,1188 3.434,1189 4.724,1190 3.435,1191 3.302,1192 3.372,1193 3.211,1194 3.115,1195 4.289,1196 3.13,1197 3.008,1198 3.107,1199 2.884,1200 2.827,1201 4.211,1202 2.828,1203 2.874,1204 3.009,1205 2.535,1206 2.618,1207 3.665,1208 2.57,1209 2.763,1210 2.866,1211 2.499,1212 2.5,1213 3.609,1214 2.491,1215 2.693,1216 2.806,1217 2.468,1218 2.347,1219 3.467,1220 2.364,1221 0.217,1222 0.149,1223 0.311,1224 0.195,1225 0.148,1226 4.56,1227 0.215,1228 3.131,1230 6.522,1231 0.487,1232 4.09,1233 0.146,1234 3.107,1235 4.511,1237 10.234,1238 3.056,1239 1.951,1240 1.932,1241 2.029,1242 2.027,1243 1.266,1244 2.028,1245 1.751,1246 1.696,1247 1.984,1248 1.904,1249 1.169,1250 1.934,1251 1.388,1252 1.35,1253 1.57,1254 1.7,1255 0.716,1256 1.645,1257 1.35,1258 1.268,1259 1.492,1260 1.528,1261 0.469,1262 1.541,1263 1.146,1264 1.104,1265 1.417,1266 1.476,1267 0.426,1268 1.409,1269 0.934,1270 0.804,1271 1.313,1272 1.239,1273 0.376,1274 1.308,1275 0.815,1276 0.743,1277 1.085,1278 1.16,1279 0.12,1280 1.132,1281 0.679,1282 0.586,1283 1.042,1284 0.967,1286 1.001,1287 3.761,1289 5.094,1290 3.045,1291 6.597,1292 5.352,1293 8.183,1294 7.391,1295 9.818,1297 4.319,1301 5.806,1303 0.916,1308 0.56,1314 21.961,1315 54.222,1316 128.241,1317 150.015,1318 158.015,1319 158.015,1320 158.015,1321 23.53,1322 6.653,1323 80.73,1324 80.73,1325 16,1326 12.208,1327 4,1328 3.087,1329 27.911,1330 56,1331 54,1332 0.251,1333 136.492,1334 217.93,1335 324.801,1336 5868,1338 13.405,1339 0.706,1340 0.578,1341 13.405,1342 10.974,1343 9.131,1344 0.435,1345 0.301,1346 6.248,1347 8.772,1348 6.031,1349 5.091,1350 9.131,1351 6.328,1352 8.62,1353 0.287,1354 0.172,1355 8.62,1356 5.15,1357 6.866,1358 0.176,1359 0.078,1360 6.866,1361 3.053,1362 5.899,1363 0.113,1364 0.041,1365 5.899,1366 2.15,1367 4.298,1368 0.073,1369 0.022,1370 4.298,1371 1.274,1372 0.387,1373 57.345,1374 0.268,1375 18.928,1376 0.707,1377 102,1378 280.671,1379 111.788,1380 276.417,1381 388.46,1382 258,1383 120,1384 309.319,1385 130.925,1386 310.352,1387 448.35,1388 291,1389 5.1}
{0 CHEMBL1966425,1 1.524,2 13.758,3 4.112,4 16.909,5 127.198,6 7.501,7 0.595,8 4.188,9 4.301,10 3.77,11 3.726,12 5.278,13 3.716,14 4.722,15 4.889,16 4.132,17 4.118,18 5.796,19 4.091,20 4.919,21 5.105,22 4.125,23 4.226,24 5.935,25 4.164,26 4.992,27 5.22,28 4.06,29 4.199,30 5.95,31 4.115,32 4.91,33 5.127,34 4.046,35 4.133,36 5.925,37 4.06,38 4.897,39 5.112,40 3.958,41 4.11,42 5.874,43 4.034,44 4.791,45 4.994,46 3.89,47 4.081,48 5.797,49 3.991,50 4.813,51 5.036,52 3.822,53 4.045,54 5.773,55 3.931,56 0.027,57 0.86,58 11.857,59 5.27,60 7.451,61 6.733,62 0.359,63 1.389,64 22.91,65 8.68,66 27.508,67 11.438,68 0.262,69 1.597,70 28.974,71 11.28,72 34.128,73 14.759,74 0.384,75 1.654,76 33.319,77 12.169,78 45.255,79 16.564,80 0.388,81 1.528,82 30.203,83 11.253,84 45.773,85 15.298,86 0.432,87 1.48,88 30.511,89 10.877,90 45.91,91 14.238,92 0.245,93 1.407,94 25.809,95 10.008,96 37.398,97 13.411,98 0.273,99 1.427,100 26.956,101 10.441,102 39.749,103 14.402,104 15,105 52,106 0.245,107 0.595,108 0.763,109 0.842,110 0.853,111 0.853,112 3.532,113 0.894,114 -4.43,115 -4.36,116 -4.11,119 44.1,121 1,124 2,125 3,142 10,143 4,144 2,146 1,152 1,158 1,162 1,172 12,174 1,175 7,178 3,180 4,183 14,188 8,193 4,196 12,199 1,200 9,205 5,208 9,212 1,213 8,216 1,218 5,221 6,225 8,230 4,233 8,238 7,243 2,246 10,250 6,253 1,254 1,255 1,258 8,263 1,264 4,267 2,272 4,276 2142,277 22.532,278 22.532,279 22.532,280 22.532,281 22.532,282 19.919,283 27.559,284 13.383,285 22.932,286 18.33,287 18.33,288 18.33,289 18.33,290 18.33,291 14.209,292 40.91,293 6.447,294 18.949,295 4.359,296 2.178,297 1.131,298 0.636,299 0.568,300 0.568,301 4.242,305 1,306 1,307 1000,308 3.606,311 153.812,312 288.577,315 288.95,319 2.296,320 25.948,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 71,332 454,333 4.577,334 3.659,335 6.813,336 4.226,337 3.23,338 4.403,339 1.081,340 11.269,341 3.216,342 4.462,343 3.091,344 6.248,345 3.965,346 2.994,347 4.279,348 0.86,349 9.498,350 2.908,351 4.071,352 3.036,353 6.051,354 3.696,355 2.7,356 3.64,357 0.8,358 8.616,359 2.688,360 3.772,361 2.765,362 5.492,363 3.415,364 2.442,365 3.131,366 0.473,367 7.357,368 2.371,369 3.631,370 2.641,371 5.304,372 3.271,373 2.34,374 2.967,375 0.4,376 6.84,377 2.171,378 3.389,379 2.563,380 5.041,381 3.131,382 2.212,383 2.739,385 5.774,386 2.033,387 3.226,388 2.294,389 4.838,390 2.945,391 1.972,392 2.298,394 5.178,395 1.913,396 3.104,397 1.961,398 4.657,399 2.689,400 1.687,401 2.292,403 5.133,404 1.683,405 3.032,406 1.716,407 4.414,408 2.513,409 1.532,410 2.227,412 4.312,413 1.501,414 2.833,415 1.532,416 4.19,417 2.35,418 1.401,419 1.982,421 3.479,422 1.345,423 2.654,424 1.445,425 3.784,426 2.341,427 1.358,428 1.669,430 2.971,431 1.309,432 2.5,433 1.378,434 3.603,435 2.202,436 1.223,437 1.5,439 2.926,440 1.192,441 2.438,442 1.239,443 3.444,444 2,445 1,446 1.434,448 2.279,449 1,450 2.063,451 1,452 3.414,453 1.866,454 0.891,455 1.01,457 2.275,458 0.864,459 1.847,460 0.751,461 3,462 1.322,463 0.369,464 0.521,466 0.86,467 0.338,468 15.6,469 0.473,470 0.78,471 0.024,472 44.5,473 1.348,474 22.5,475 0.682,476 22,477 0.667,478 26.345,479 0.798,480 34.8,481 0.59,482 34.701,483 1.052,484 8.961,485 0.272,486 7.103,487 0.215,488 0.085,490 0.346,496 0.848,497 1.307,498 0.769,499 1.079,500 0.654,501 0.933,502 0.942,503 0.906,504 0.853,505 0.86,506 0.602,507 0.836,508 1.157,509 1.119,510 1.028,511 1.09,512 0.99,513 1.05,514 1.037,515 0.972,516 0.934,517 0.957,518 1.045,519 0.937,520 0.89,521 1.018,522 0.878,523 1.014,524 0.673,525 0.956,526 1.455,527 0.892,528 1.058,529 0.869,530 1.103,531 0.905,532 1.022,533 1.101,534 1.098,535 1.106,536 1.408,537 1.113,538 0.762,539 1.16,540 1.062,541 1.189,542 1.25,543 1.18,544 6.5,545 0.215,546 3.111,547 2.236,548 1.524,549 1.084,550 0.746,551 0.364,552 0.303,553 0.352,554 17331,555 42628,556 2.15,557 44.1,559 22,562 2,565 2,567 1.751,568 2.041,569 3.702,570 0.162,572 1,577 89.898,578 1.524,579 3.705,580 4.752,581 5.247,582 5.315,583 5.315,584 3.245,585 4.499,586 5.009,587 3.932,588 2076.25,589 8.77,590 31965.8,592 1,595 347.076,596 1.301,597 4.989,598 0.176,599 0.006,600 0.06,601 0.045,602 0.033,603 0.024,604 0.018,605 0.009,606 0.009,607 0.01,608 0.39,609 0.17,610 0.88,611 1.232,612 177.32,613 -0.04,614 -0.156,615 0.064,616 -0.058,617 -0.055,618 0.007,619 0.085,620 0.201,621 0.068,622 0.116,623 0.115,624 0.096,625 -0.122,626 -0.109,627 -0.083,628 -0.088,629 -0.063,630 -0.081,631 -0.03,632 -0.009,633 0.057,634 0.032,635 -0.042,636 0.054,637 0.121,638 -0.049,639 0.104,640 -0.02,641 0.168,642 0.033,643 -0.212,644 0.065,645 -0.051,646 0.118,647 -0.087,648 0.066,649 -0.129,650 -0.095,651 -0.156,652 -0.106,653 -0.128,654 -0.131,655 0.029,656 -0.176,657 -0.11,658 -0.191,659 -0.122,660 -0.181,661 1.723,662 5.351,663 0.727,664 42.198,665 1.002,666 1.122,667 3.202,668 10.251,669 0.674,670 3.638,671 3.97,672 4.248,673 4.554,674 4.787,675 4.898,676 5.094,677 5.236,678 5.283,679 5.447,680 8.075,681 0.644,682 442.56,683 3.638,684 5.187,685 6.043,686 6.929,687 7.805,688 8.698,689 9.586,690 10.483,691 11.377,692 12.277,693 6.8,696 1,700 1,701 1,703 1,708 2,709 10,710 1,712 1,714 7,716 22,723 1,728 1,733 1,735 59,737 23,738 3,739 37,741 63,742 26,743 19,744 8,745 10,746 1,748 5,749 7,760 1,762 20,763 6,767 1,772 1,776 1,780 1,783 26,784 7,785 2,786 7,792 4,797 0.6,798 3,802 1,815 2,816 3,819 2,839 1,843 3,847 2,851 33,858 4,860 2,861 1,864 1,874 5.1,877 1,879 2,881 16.167,882 11.233,883 7.139,884 3.489,886 4.399,887 1.52,888 1.017,889 6.14,890 12.854,891 3.912,892 4.535,893 5.15,894 5.782,895 6.339,896 6.656,897 7.123,898 7.542,899 7.779,900 8.218,901 1,902 50,903 12.196,905 5.201,906 7.641,907 23.494,909 19.372,911 2.141,912 70.667,915 1,916 282.506,917 159.912,918 55.931,920 45.652,923 159.912,924 328.159,925 55.931,926 16.793,927 29.349,928 94.762,929 46.635,930 69.12,931 4.836,932 282.506,934 282.506,935 215.844,936 45.652,939 258.964,940 69.194,943 57.219,944 141.839,945 16.786,947 282.506,948 101.584,949 159.912,952 282.506,953 48.357,954 114.68,955 36.022,956 62.438,957 282.506,958 101.584,959 159.912,961 0.581,962 0.329,963 0.181,964 0.1,965 26,966 11,967 0.127,968 8,969 2,970 1.167,971 4.542,972 307.082,973 0.167,974 24,975 160.465,981 21.653,982 9.358,983 4.784,984 1.554,985 101.584,986 19.541,987 4.459,989 5.749,991 5.74,993 36.022,994 544.002,995 49,1000 12.351,1004 -0.056,1007 59.109,1008 66.189,1009 0.259,1010 0.63,1011 0.808,1012 0.892,1013 0.903,1014 0.903,1015 5.15,1016 1.687,1017 6.023,1018 5.178,1019 4.654,1020 5.223,1021 1.878,1022 6.832,1023 4.597,1024 6.358,1025 1.532,1026 7.574,1027 5.133,1028 4.205,1029 5.037,1030 0.325,1031 7.703,1032 4.132,1033 7.666,1034 1.401,1035 9.223,1036 4.312,1037 6.24,1038 7.452,1039 1.693,1040 10.824,1041 6.143,1042 9.012,1043 1.358,1044 10.932,1045 3.479,1046 6.621,1047 8.113,1048 0.268,1049 12.566,1050 6.521,1051 10.392,1052 1.223,1053 12.681,1054 2.971,1055 8.115,1056 9.996,1057 1.668,1058 15.198,1059 7.996,1060 11.796,1061 1,1062 14.459,1063 2.926,1064 8.893,1065 11.065,1066 0.188,1067 17.313,1068 8.777,1069 13.22,1070 0.891,1071 16.26,1072 2.279,1073 10.167,1074 12.719,1075 1.705,1076 19.784,1077 10.039,1078 3.23,1079 0.369,1080 18.077,1081 2.275,1082 11.138,1083 13.992,1084 0.125,1085 22.06,1086 11.013,1087 2.994,1088 11.269,1089 19.909,1090 0.86,1091 12.325,1092 15.542,1093 1.777,1094 24.48,1095 12.191,1096 2.7,1097 9.498,1098 21.752,1099 4.403,1100 13.389,1101 16.915,1102 0.082,1103 26.828,1104 13.255,1105 2.442,1106 8.616,1107 23.605,1108 4.279,1109 14.544,1110 18.418,1111 1.87,1112 29.235,1113 14.405,1114 2.34,1115 7.357,1116 25.465,1117 3.64,1118 15.652,1119 19.84,1120 0.054,1121 31.616,1122 15.512,1123 2.212,1124 6.84,1125 27.332,1126 3.131,1127 16.8,1128 21.323,1129 1.979,1130 34.023,1131 16.656,1132 1.972,1133 5.774,1134 29.206,1135 2.967,1136 17.93,1137 22.769,1138 0.035,1139 36.421,1140 17.784,1141 16133,1142 25518,1143 25.255,1144 39.762,1145 55.818,1146 56.822,1147 56.548,1148 55.493,1149 55.524,1150 73.126,1151 7.227,1152 159.504,1153 53.855,1154 5.479,1155 5.659,1156 6.499,1157 5.286,1158 5.23,1159 7.403,1160 2.162,1161 18.644,1162 5.216,1163 13.992,1164 1.509,1165 1.536,1166 1.528,1167 1.5,1168 1.501,1169 1.976,1170 0.195,1171 4.311,1172 1.456,1173 4.103,1174 4.123,1175 4.069,1176 4.014,1177 7.429,1178 4.02,1179 4.033,1180 4.049,1181 4.001,1182 3.924,1183 5.226,1184 3.941,1185 3.82,1186 3.851,1187 3.761,1188 3.738,1189 4.858,1190 3.74,1191 3.712,1192 3.79,1193 3.566,1194 3.513,1195 4.68,1196 3.514,1197 3.453,1198 3.509,1199 3.361,1200 3.223,1201 4.419,1202 3.249,1203 3.376,1204 3.424,1205 3.296,1206 3.167,1207 4.365,1208 3.196,1209 3.275,1210 3.344,1211 3.117,1212 3.077,1213 4.272,1214 3.075,1215 3.03,1216 3.067,1217 2.934,1218 2.911,1219 3.969,1220 2.912,1221 0.124,1222 0.099,1223 0.184,1224 0.114,1225 0.087,1226 4.577,1227 0.119,1228 3.659,1229 0.029,1230 6.813,1231 0.305,1232 4.226,1233 0.087,1234 3.23,1235 4.403,1236 1.081,1237 11.269,1238 3.216,1239 1.991,1240 1.976,1241 2.068,1242 2.059,1243 1.252,1244 2.062,1245 1.893,1246 1.871,1247 1.993,1248 1.988,1249 1.206,1250 1.989,1251 1.773,1252 1.749,1253 1.937,1254 1.925,1255 1.067,1256 1.932,1257 1.666,1258 1.594,1259 1.856,1260 1.857,1261 0.995,1262 1.857,1263 1.371,1264 1.312,1265 1.676,1266 1.66,1267 0.807,1268 1.644,1269 1.337,1270 1.257,1271 1.563,1272 1.608,1273 0.704,1274 1.615,1275 1.268,1276 1.23,1277 1.417,1278 1.562,1279 0.469,1280 1.509,1281 1.015,1282 0.985,1283 1.368,1284 1.239,1285 0.404,1286 1.308,1287 4.317,1289 5.645,1290 3.045,1291 7.155,1292 5.416,1293 8.754,1294 7.516,1295 10.406,1297 4.085,1303 2.993,1305 6.14,1306 5.984,1309 2.126,1314 38.025,1315 89.898,1316 218.58,1317 280.347,1318 309.566,1319 313.566,1320 313.566,1321 48.556,1322 8.455,1323 79.63,1324 79.63,1325 28,1326 12.8,1327 4.585,1328 3.7,1329 47.969,1330 156,1331 167,1332 0.145,1333 230.169,1334 394.29,1335 553.372,1336 64079,1338 22.786,1339 0.69,1340 0.567,1341 22.786,1342 18.721,1343 16.064,1344 0.434,1345 0.298,1346 10.856,1347 15.434,1348 10.567,1349 8.781,1350 16.064,1351 11.024,1352 14.72,1353 0.283,1354 0.161,1355 14.72,1356 8.374,1357 12.143,1358 0.176,1359 0.082,1360 12.143,1361 5.653,1362 10.422,1363 0.111,1364 0.043,1365 10.422,1366 3.996,1367 8.589,1368 0.072,1369 0.022,1370 8.589,1371 2.61,1372 0.233,1373 100.736,1374 0.199,1375 31.123,1376 0.386,1377 178,1378 505.163,1379 195.485,1380 486.035,1381 676.53,1382 458,1383 210,1384 509.533,1385 227.517,1386 516.043,1387 758.67,1388 485,1389 5.5}
{0 CHEMBL1966514,1 1.747,2 13.344,3 4.373,4 19.121,5 123.635,6 9.072,7 0.75,8 4.031,9 4.127,10 3.797,11 3.67,12 5.282,13 3.656,14 4.484,15 4.591,16 4.17,17 4.064,18 5.76,19 4.028,20 4.697,21 4.856,22 4.195,23 4.152,24 5.89,25 4.092,26 4.744,27 4.913,28 4.289,29 4.166,30 5.981,31 4.094,32 4.776,33 4.952,34 4.162,35 4.113,36 5.991,37 4.03,38 4.628,39 4.811,40 3.963,41 3.951,42 5.948,43 3.889,44 4.525,45 4.723,46 3.767,47 3.851,48 5.657,49 3.775,50 4.51,51 4.721,52 3.72,53 3.804,54 5.621,55 3.71,56 0.109,57 0.77,58 6.882,59 4.057,60 11.081,61 4.108,62 0.288,63 1.212,64 12.968,65 7.082,66 22.101,67 7.407,68 0.37,69 1.517,70 18.453,71 8.843,72 45.206,73 9.234,74 0.364,75 1.6,76 22.83,77 9.93,78 35.359,79 10.996,80 0.551,81 1.578,82 30.371,83 11.197,84 63.063,85 10.873,86 0.531,87 1.344,88 21.915,89 8.665,90 76.514,91 9.429,92 0.356,93 1.193,94 17.098,95 7.375,96 42.933,97 8.775,98 0.298,99 1.141,100 19.451,101 8.468,102 29.481,103 10.378,104 10,105 51,106 0.287,107 0.593,108 0.772,109 0.868,110 0.884,111 0.89,112 3.502,113 0.882,114 -4.74,115 -4.66,116 -4.38,119 49,142 9,143 5,144 3,145 1,147 1,151 3,152 1,159 1,163 1,164 1,165 1,172 10,175 4,177 1,178 3,179 1,180 5,183 15,185 1,188 3,193 4,196 11,198 1,200 7,205 9,208 8,210 3,212 1,213 7,218 7,221 6,223 3,225 5,230 6,233 9,235 3,238 2,240 1,241 1,243 2,246 10,250 3,253 1,254 1,255 2,257 1,258 8,264 3,269 2,272 5,276 1776,277 21.878,278 21.878,279 21.878,280 21.878,281 21.878,282 18.533,283 16.513,284 12.867,285 22.279,286 17.803,287 17.803,288 17.803,289 17.803,290 17.803,291 12.827,292 22.779,293 6.133,294 18.469,295 3.868,296 2.013,297 0.924,298 0.342,299 0.245,300 0.204,301 4.21,305 1,306 1,307 950,308 3.162,311 154.173,312 308.79,315 137.76,319 2.156,320 32.366,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 69.5,332 427,333 4.746,334 3.563,335 7.012,336 4.281,337 3.313,338 4.724,339 1.656,340 11.976,341 3.206,342 4.203,343 3.325,344 6.338,345 3.83,346 2.837,347 3.819,348 0.247,349 9.592,350 2.818,351 4.081,352 2.947,353 5.758,354 3.692,355 2.726,356 3.664,358 7.865,359 2.623,360 3.97,361 2.832,362 5.614,363 3.545,364 2.571,365 3.555,367 7.63,368 2.5,369 3.71,370 2.585,371 5.388,372 3.323,373 2.352,374 3.068,376 7.041,377 2.275,378 3.469,379 2.332,380 5.09,381 3.052,382 2.094,383 2.839,385 5.719,386 2.001,387 3.436,388 2.274,389 4.902,390 2.915,391 1.992,392 2.761,394 5.699,395 1.842,396 3.191,397 2.042,398 4.583,399 2.734,400 1.767,401 2.456,403 4.73,404 1.683,405 3.09,406 1.694,407 4.466,408 2.6,409 1.631,410 2.292,412 4.382,413 1.56,414 2.659,415 1.275,416 4.089,417 2.173,418 1.184,419 1.731,421 3.101,422 1.167,423 2.579,424 1.146,425 3.65,426 2.077,427 1.107,428 1.612,430 2.586,431 1.064,432 2.5,433 1,434 3.479,435 2,436 1,437 1.5,439 2.4,440 1,441 2.477,442 1,443 3.414,444 1.933,445 1,446 1.466,448 2.275,449 0.923,450 2.173,451 0.777,452 3.264,453 1.618,454 0.721,455 1.029,457 1.794,458 0.618,459 2.118,460 0.625,461 3,462 1.586,463 0.618,464 0.927,466 1.372,467 0.608,468 15.386,469 0.481,470 0.763,471 0.024,472 47.75,473 1.492,474 27,475 0.844,476 20.75,477 0.648,478 22.546,479 0.705,480 32.014,481 0.653,482 36.594,483 1.144,484 9.539,485 0.298,486 6.042,487 0.189,488 0.066,490 0.357,494 1,496 0.754,497 0.886,498 0.675,499 0.757,500 0.632,501 0.712,502 0.668,503 0.898,504 0.85,505 0.922,506 0.548,507 0.891,508 1.015,509 1.006,510 0.959,511 0.903,512 1.017,513 0.982,514 0.725,515 1.059,516 0.966,517 1.113,518 0.739,519 1.02,520 1.133,521 0.976,522 1.477,523 1.243,524 1.174,525 1.075,526 0.81,527 0.879,528 1.087,529 1.041,530 0.798,531 1.044,532 0.781,533 0.901,534 0.88,535 0.936,536 0.789,537 1.105,538 0.66,539 0.888,540 0.845,541 1.018,542 0.579,543 1.081,544 6,545 0.129,546 3.333,547 2.181,548 1.739,549 1.143,550 0.676,551 0.383,552 0.226,553 0.248,554 16136,555 50914,556 2.154,557 34.7,559 9,560 3,561 1,562 4,567 1.74,568 2.043,569 3.682,570 1.57,572 1,577 85.595,578 1.747,579 3.602,580 4.691,581 5.273,582 5.37,583 5.411,584 3.114,585 4.601,586 4.969,587 3.893,588 1930.7,589 8.667,590 28914.8,592 1,595 275.121,596 1.317,597 4.943,598 0.167,599 0.006,600 0.065,601 0.044,602 0.034,603 0.025,604 0.017,605 0.012,606 0.007,607 0.009,608 0.386,610 0.88,611 0.476,612 170.204,613 -0.1,614 0.052,615 0.025,616 0.099,617 -0.101,618 0.087,619 0.075,620 0.039,621 -0.035,622 0.003,623 0.061,624 -0.041,625 -0.165,626 -0.011,627 -0.084,628 0.028,629 -0.139,630 -0.065,631 0.041,632 -0.119,633 0.094,634 -0.077,635 0.048,636 -0.041,637 -0.143,638 -0.028,639 -0.213,640 -0.101,641 -0.128,642 -0.072,643 0.077,644 0.011,645 -0.114,646 -0.079,647 0.144,648 -0.068,649 -0.039,650 -0.032,651 -0.078,652 -0.071,653 -0.092,654 -0.116,655 0.081,656 -0.073,657 0.085,658 -0.059,659 0.078,660 -0.002,661 2.123,662 5.279,663 0.813,664 37.156,665 1.017,666 1.114,667 3.512,668 12.334,669 0.732,670 3.611,671 3.951,672 4.248,673 4.564,674 4.754,675 4.883,676 5.024,677 5.198,678 5.268,679 5.347,680 7.926,681 0.71,682 444.52,683 3.611,684 5.165,685 6.028,686 6.921,687 7.801,688 8.7,689 9.59,690 10.494,691 11.39,692 12.298,693 8.2,697 1,700 2,703 1,708 2,709 13,710 1,712 1,713 1,714 8,716 27,727 1,734 1,735 49,737 28,738 2,739 36,741 53,742 24,743 23,744 4,745 8,748 5,749 6,753 1,762 24,767 1,772 1,776 1,780 1,781 1,782 1,783 17,784 7,785 4,786 8,787 1,792 4,797 0.8,798 2,809 1,815 2,816 3,819 1,843 4,845 1,849 1,851 32,852 1,860 2,869 1,873 1,874 4.1,877 1,879 1,881 15.667,882 8.76,883 6.917,884 2.666,886 4.943,887 1.598,888 1.063,889 5.536,890 13.212,891 3.942,892 4.6,893 5.239,894 5.907,895 6.422,896 6.827,897 7.305,898 7.811,899 8.163,900 8.549,901 0.889,902 50,903 11.782,905 5.142,906 7.896,907 22.06,909 18.292,911 2.396,912 76.667,915 1,916 153.024,917 194.039,918 85.704,920 34.652,921 14.96,922 31.278,923 162.761,924 187.677,925 100.664,927 36.022,928 149.311,929 53.702,930 48.505,931 57.623,932 137.218,934 153.024,935 248.465,936 49.612,937 31.278,939 167.984,940 34.652,943 45.069,944 186.611,945 16.786,946 31.278,947 167.984,948 120.356,949 194.039,952 153.024,953 68.577,954 125.462,955 36.022,956 99.295,957 153.024,958 135.317,959 194.039,961 0.584,962 0.342,963 0.195,964 0.1,965 26,966 11,967 0.075,968 4,969 1,970 1.077,971 4.416,972 298.129,973 0.077,974 26,975 156,977 1,981 20.522,982 8.633,983 4.217,984 1.92,985 135.317,986 22.126,987 4.375,989 5.215,990 1.593,991 4.847,993 68.919,994 482.38,995 50.5,1000 12.201,1004 -0.456,1007 49.836,1008 54.578,1009 0.311,1010 0.641,1011 0.835,1012 0.939,1013 0.956,1014 0.964,1015 5.169,1016 1.767,1017 6.014,1018 5.699,1019 4.635,1020 5.288,1021 1.758,1022 6.841,1023 4.564,1024 6.397,1025 1.631,1026 7.576,1027 4.73,1028 4.205,1029 5.085,1030 1.195,1031 7.769,1032 4.109,1033 7.713,1034 1.184,1035 9.239,1036 4.382,1037 6.236,1038 7.552,1039 2.415,1040 10.91,1041 6.111,1042 9.068,1043 1.107,1044 10.965,1045 3.101,1046 6.648,1047 8.224,1048 2.324,1049 12.731,1050 6.496,1051 10.455,1052 1,1053 12.733,1054 2.586,1055 8.131,1056 10.124,1057 3.244,1058 15.402,1059 7.954,1060 11.867,1061 1,1062 14.532,1063 2.4,1064 8.936,1065 11.23,1066 3.407,1067 17.602,1068 8.73,1069 13.3,1070 0.721,1071 16.355,1072 2.275,1073 10.209,1074 12.901,1075 4.156,1076 20.13,1077 9.978,1078 3.313,1079 0.618,1080 18.198,1081 1.794,1082 11.206,1083 14.23,1084 4.464,1085 22.491,1086 10.942,1087 2.837,1088 11.976,1089 20.056,1090 1.372,1091 12.402,1092 15.812,1093 5.111,1094 24.976,1095 12.111,1096 2.726,1097 9.592,1098 21.928,1099 4.724,1100 13.492,1101 17.252,1102 5.504,1103 27.404,1104 13.167,1105 2.571,1106 7.865,1107 23.811,1108 3.819,1109 14.666,1110 18.803,1111 6.091,1112 29.88,1113 14.31,1114 2.352,1115 7.63,1116 25.703,1117 3.664,1118 15.802,1119 20.298,1120 6.531,1121 32.336,1122 15.411,1123 2.094,1124 7.041,1125 27.603,1126 3.555,1127 16.973,1128 21.841,1129 7.083,1130 34.811,1131 16.55,1132 1.992,1133 5.719,1134 29.509,1135 3.068,1136 18.133,1137 23.363,1138 7.551,1139 37.28,1140 17.675,1141 14896,1142 26604,1143 24.561,1144 35.847,1145 54.718,1146 55.101,1147 55.347,1148 54,1149 53.971,1150 75.057,1151 3.806,1152 156.714,1153 51.913,1154 5.612,1155 5.563,1156 6.608,1157 5.392,1158 5.313,1159 7.724,1160 2.912,1161 19.529,1162 5.206,1163 13.195,1164 1.52,1165 1.531,1166 1.537,1167 1.5,1168 1.499,1169 2.085,1170 0.106,1171 4.353,1172 1.442,1173 4.135,1174 4.145,1175 4.345,1176 4.136,1177 8.201,1178 4.098,1179 3.927,1180 3.959,1181 3.884,1182 3.833,1183 7.431,1184 3.836,1185 3.88,1186 3.902,1187 3.83,1188 3.801,1189 5.2,1190 3.802,1191 3.764,1192 3.78,1193 3.776,1194 3.652,1195 5.073,1196 3.652,1197 3.427,1198 3.471,1199 3.43,1200 3.189,1201 4.777,1202 3.217,1203 3.26,1204 3.307,1205 3.376,1206 3.099,1207 4.662,1208 3.102,1209 3.028,1210 3.107,1211 2.995,1212 2.875,1213 4.573,1214 2.857,1215 2.907,1216 2.964,1217 2.841,1218 2.735,1219 4.244,1220 2.737,1221 0.132,1222 0.099,1223 0.195,1224 0.119,1225 0.092,1226 4.746,1227 0.131,1228 3.563,1229 0.046,1230 7.012,1231 0.333,1232 4.281,1233 0.089,1234 3.313,1235 4.724,1236 1.656,1237 11.976,1238 3.206,1239 1.966,1240 1.947,1241 2.037,1242 2.046,1243 1.189,1244 2.044,1245 1.88,1246 1.853,1247 1.979,1248 1.992,1249 1.061,1250 1.988,1251 1.843,1252 1.825,1253 1.891,1254 1.926,1255 1.043,1256 1.93,1257 1.474,1258 1.45,1259 1.581,1260 1.612,1261 0.706,1262 1.599,1263 1.331,1264 1.309,1265 1.444,1266 1.574,1267 0.553,1268 1.535,1269 1.234,1270 1.215,1271 1.384,1272 1.529,1273 0.308,1274 1.495,1275 1.187,1276 1.167,1277 1.276,1278 1.309,1279 0.29,1280 1.35,1281 0.891,1282 0.839,1283 1.181,1284 1.176,1285 0.218,1286 1.183,1287 4.29,1289 5.624,1290 3.045,1291 7.144,1292 5.283,1293 8.756,1294 7.322,1295 10.419,1299 13.279,1301 6.221,1305 5.345,1314 34.773,1315 85.595,1316 176.486,1317 229.837,1318 258.366,1319 263.121,1320 265.121,1321 52.164,1322 8.269,1323 93.18,1324 121.42,1325 28,1326 12.817,1327 4.858,1328 3.954,1329 46.025,1330 153,1331 146,1332 0.146,1333 213.462,1334 359.3,1335 512.608,1336 51070,1337 2,1338 22.079,1339 0.69,1340 0.545,1341 21.562,1342 17.449,1343 15.581,1344 0.433,1345 0.294,1346 9.652,1347 14.569,1348 9.405,1349 7.771,1350 15.641,1351 10.585,1352 14.241,1353 0.279,1354 0.156,1355 14.131,1356 7.969,1357 12.003,1358 0.174,1359 0.087,1360 12.387,1361 6.006,1362 10.674,1363 0.112,1364 0.049,1365 11.291,1366 4.616,1367 8.092,1368 0.07,1369 0.026,1370 8.835,1371 3.002,1372 0.234,1373 102.027,1374 0.202,1375 30.319,1376 0.384,1377 174,1378 570.066,1379 212.283,1380 552.662,1381 752.46,1382 516,1383 207,1384 540.641,1385 242.769,1386 559.402,1387 816.96,1388 526,1389 6.6}
{0 CHEMBL1966524,1 1.564,2 12.621,3 3.582,4 12.83,5 116.579,6 8.174,7 0.788,8 4.011,9 4.119,10 3.711,11 3.658,12 5.129,13 3.616,14 4.507,15 4.644,16 4.088,17 4.071,18 5.555,19 4.001,20 4.733,21 4.915,22 4.085,23 4.151,24 5.737,25 4.04,26 4.772,27 4.991,28 3.945,29 4.08,30 5.674,31 3.948,32 4.668,33 4.892,34 3.849,35 3.946,36 5.619,37 3.837,38 4.651,39 4.87,40 3.77,41 3.895,42 5.66,43 3.792,44 4.638,45 4.893,46 3.667,47 3.822,48 5.573,49 3.701,50 4.422,51 4.632,52 3.633,53 3.72,54 5.405,55 3.609,56 0.034,57 0.71,58 9.126,59 4.308,60 11.119,61 5.191,62 0.112,63 1.151,64 17.113,65 7.538,66 17.846,67 8.93,68 0.284,69 1.416,70 26.012,71 10.281,72 31.604,73 12.487,74 0.226,75 1.449,76 29.85,77 11.25,78 28.628,79 13.837,80 0.21,81 1.317,82 24.875,83 9.458,84 28.709,85 12.029,86 0.262,87 1.289,88 23.289,89 8.823,90 35.696,91 11.187,92 0.257,93 1.269,94 26.366,95 9.363,96 35.794,97 11.888,98 0.224,99 1.005,100 19.778,101 7.449,102 26.622,103 9.232,104 2,105 46,106 0.259,107 0.622,108 0.802,109 0.902,110 0.909,111 0.909,112 3.408,113 0.936,114 -3.18,115 -3.17,116 -3.05,119 46.9,121 1,125 1,127 1,142 7,143 4,144 1,145 4,151 1,152 3,163 1,164 1,165 1,172 9,175 3,180 4,183 11,185 1,187 1,188 5,190 1,191 1,193 4,196 9,198 1,200 4,205 2,208 5,210 1,213 5,217 1,218 2,220 1,221 3,223 2,225 5,227 1,228 2,230 3,233 2,235 3,237 1,238 4,243 1,246 2,248 1,249 1,250 2,255 3,258 4,260 2,264 1,267 1,269 2,272 6,274 1,276 1351,277 20.17,278 20.17,279 20.17,280 20.17,281 20.17,282 17.216,283 8.592,284 12.026,285 20.654,286 16.357,287 16.357,288 16.357,289 16.357,290 16.357,291 11.947,292 7.94,293 5.766,294 17.176,295 4.051,296 1.858,297 0.768,298 0.163,299 0.122,300 0.122,301 4.123,305 1,306 1,307 830,308 3.162,311 128.076,312 258.902,315 245.443,319 1.936,320 17.224,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 61,332 366,333 4.527,334 3.163,335 6.533,336 4.059,337 3.073,338 4.474,339 0.86,340 10.301,341 3.03,342 4.512,343 3.087,344 6.379,345 4.006,346 3.066,347 4.439,349 9.914,350 2.88,351 4.098,352 2.894,353 5.935,354 3.648,355 2.687,356 3.735,358 8.399,359 2.579,360 3.617,361 2.549,362 5.344,363 3.36,364 2.401,365 2.966,367 6.862,368 2.302,369 3.498,370 2.37,371 5.239,372 3.146,373 2.199,374 2.805,376 6.512,377 2.064,378 3.139,379 1.972,380 4.797,381 2.816,382 1.837,383 2.319,385 5.2,386 1.795,387 3.045,388 1.587,389 4.414,390 2.518,391 1.546,392 2.298,394 4.312,395 1.501,396 3.032,397 1.546,398 4.248,399 2.479,400 1.532,401 2.284,403 3.839,404 1.441,405 2.994,406 1.532,407 4.144,408 2.443,409 1.53,410 2.173,412 3.701,413 1.379,414 2.758,415 1.358,416 3.595,417 2.216,418 1.299,419 1.872,421 2.883,422 1.186,423 2.616,424 1.206,425 3.581,426 2.14,427 1.153,428 1.668,430 2.743,431 1.135,432 2.5,433 1,434 3.48,435 1.935,436 1,437 1.5,439 2.467,440 0.925,441 2.086,442 0.987,443 3.209,444 1.627,445 0.686,446 0.922,448 1.608,449 0.641,450 1.847,451 0.677,452 3.019,453 1.402,454 0.498,455 0.585,457 1.149,458 0.447,459 1.687,460 0.347,461 3,462 1.244,463 0.347,464 0.521,466 0.86,467 0.305,468 14.267,469 0.492,470 0.585,471 0.02,472 41.25,473 1.422,474 22.5,475 0.776,476 18.75,477 0.647,478 21.959,479 0.757,480 28.933,481 0.59,482 27.677,483 0.954,484 7.982,485 0.275,486 6.277,487 0.216,488 0.028,490 0.315,496 0.97,497 1.014,498 0.728,499 0.814,500 1.049,501 0.786,502 1.218,503 0.97,504 0.883,505 0.865,506 1.025,507 0.875,508 1.061,509 1.023,510 1.095,511 1.079,512 1.047,513 1.058,514 1.163,515 1.056,516 1.1,517 1.091,518 0.958,519 1.036,520 1.016,521 1.056,522 0.896,523 1.022,524 1.016,525 1.026,526 1.285,527 1.049,528 0.957,529 1.001,530 1.317,531 1.074,532 1.265,533 0.877,534 0.934,535 0.876,536 1.152,537 0.886,538 1.32,539 1.03,540 0.981,541 1.004,542 1.134,543 1.008,544 5,545 0.103,546 2.889,547 1.708,548 1.307,549 0.657,550 0.363,551 0.332,552 0.147,553 0.173,554 13207,555 33062,556 2.215,557 40.8,559 10,560 1,561 4,562 3,564 2,567 1.714,568 2.148,569 3.63,570 0.857,572 1,577 76.64,578 1.564,579 3.757,580 4.846,581 5.451,582 5.492,583 5.492,584 3.069,585 4.582,586 4.834,587 3.806,588 1545.43,589 8.385,590 21834,592 1,594 1,595 275.121,596 1.091,597 4.82,598 0.152,599 0.004,600 0.063,601 0.04,602 0.035,603 0.019,604 0.011,605 0.011,606 0.005,607 0.007,608 0.348,609 0.33,610 0.88,611 0.335,612 150.055,613 -0.08,614 0.032,615 0.057,616 0.075,617 -0.134,618 0.068,619 -0.156,620 0.053,621 0.01,622 0.079,623 -0.122,624 0.017,625 0.054,626 -0.039,627 -0.073,628 -0.065,629 -0.018,630 -0.1,631 -0.074,632 -0.105,633 -0.033,634 -0.054,635 -0.038,636 -0.03,637 0.042,638 -0.09,639 0.028,640 -0.086,641 0.069,642 -0.049,643 0.008,644 -0.072,645 -0.084,646 -0.111,647 -0.039,648 -0.128,649 -0.04,650 0.089,651 0.054,652 0.081,653 0.045,654 0.117,655 0.01,656 -0.085,657 -0.001,658 -0.028,659 0.007,660 -0.032,661 1.437,662 2.459,663 0.828,664 27.957,665 0.998,666 1.111,667 1.95,668 3.801,669 0.719,670 3.526,671 3.85,672 4.143,673 4.431,674 4.625,675 4.654,676 4.779,677 4.875,678 4.836,679 4.913,680 7.517,681 0.678,682 400.54,683 3.526,684 5.069,685 5.927,686 6.806,687 7.678,688 8.561,689 9.439,690 10.323,691 11.204,692 12.088,693 8.2,694 1,701 1,703 2,708 4,709 12,710 2,711 1,713 1,714 4,716 26,733 1,735 49,737 26,738 1,739 33,741 53,742 23,743 20,744 2,745 4,748 5,749 7,760 2,762 20,763 3,780 1,783 20,784 4,785 3,786 6,787 1,792 4,797 0.6,798 1,809 2,811 1,815 2,816 3,819 2,836 1,843 3,845 1,851 29,852 1,858 2,861 1,863 1,869 1,874 2,879 1,881 13.5,882 8.65,883 6.278,884 2.801,886 5.063,887 1.629,888 1.055,889 5.004,890 13.108,891 3.85,892 4.511,893 5.172,894 5.82,895 6.336,896 6.635,897 7.066,898 7.471,899 7.552,900 7.881,901 1,902 43,903 10.679,905 4.583,906 7.552,907 20.741,909 17.469,911 2.052,912 59.5,914 1,915 1,916 200.109,917 170.984,918 83.254,920 11,922 31.278,923 139.707,924 211.109,925 83.254,927 40.024,928 75.381,929 80.655,930 80.736,931 16.019,932 172.531,934 200.109,935 222.96,936 11,937 31.278,939 176.567,940 34.542,943 92.999,944 96.39,945 33.571,946 31.278,947 200.109,948 94.254,949 170.984,952 200.109,953 59.413,954 111.571,955 16.786,956 77.468,957 200.109,958 94.254,959 170.984,961 0.579,962 0.34,963 0.192,964 0.104,965 24,966 9,967 0.113,968 6,969 2,970 1.167,971 4.299,972 255.823,973 0.167,974 24,975 140.881,977 1,981 18.286,982 7.936,983 3.887,984 4.693,985 77.468,986 23.775,987 8.536,988 3.294,990 1.701,991 4.123,993 49.683,994 465.347,995 46,1007 48.88,1008 54.444,1009 0.279,1010 0.669,1011 0.863,1012 0.971,1013 0.978,1014 0.978,1015 5.066,1016 1.532,1017 5.894,1018 4.312,1019 4.533,1020 5.198,1021 0.908,1022 6.691,1023 4.439,1024 6.28,1025 1.53,1026 7.435,1027 3.839,1028 4.007,1029 4.956,1031 7.526,1032 3.892,1033 7.587,1034 1.299,1035 9.076,1036 3.701,1037 6.107,1038 7.486,1039 0.739,1040 10.637,1041 5.94,1042 8.934,1043 1.153,1044 10.776,1045 2.883,1046 6.447,1047 8.157,1049 12.342,1050 6.251,1051 10.317,1052 1,1053 12.516,1054 2.743,1055 7.971,1056 10.095,1057 0.593,1058 14.933,1059 7.737,1060 11.726,1061 0.686,1062 14.285,1063 2.467,1064 8.719,1065 11.202,1067 16.99,1068 8.452,1069 13.156,1070 0.498,1071 16.073,1072 1.608,1073 10.001,1074 12.886,1075 0.469,1076 19.401,1077 9.702,1078 3.073,1079 0.347,1080 17.876,1081 1.149,1082 10.944,1083 14.201,1085 21.605,1086 10.612,1087 3.066,1088 10.301,1089 19.69,1090 0.86,1091 12.123,1092 15.773,1093 0.366,1094 23.952,1095 11.761,1096 2.687,1097 9.914,1098 21.514,1099 4.474,1100 13.157,1101 17.183,1103 26.218,1104 12.763,1105 2.401,1106 8.399,1107 23.344,1108 4.439,1109 14.295,1110 18.708,1111 0.283,1112 28.543,1113 13.872,1114 2.199,1115 6.862,1116 25.18,1117 3.735,1118 15.372,1119 20.162,1121 30.836,1122 14.918,1123 1.837,1124 6.512,1125 27.02,1126 2.966,1127 16.494,1128 21.667,1129 0.217,1130 33.153,1131 16.012,1132 1.546,1133 5.2,1134 28.865,1135 2.805,1136 17.591,1137 23.141,1139 35.459,1140 17.079,1141 11920,1142 19023,1143 23.057,1144 35.216,1145 50.093,1146 50.004,1147 50.202,1148 49.622,1149 49.705,1150 69.124,1151 1.72,1152 141.503,1153 47.221,1154 5.429,1155 5.163,1156 6.216,1157 5.174,1158 5.073,1159 7.474,1160 1.72,1161 17.025,1162 5.03,1163 6.837,1164 1.518,1165 1.515,1166 1.521,1167 1.504,1168 1.506,1169 2.095,1170 0.052,1171 4.288,1172 1.431,1173 4.134,1174 4.167,1175 4.336,1176 4.104,1177 5.059,1178 4.066,1179 4.075,1180 4.087,1181 4.08,1182 4.04,1183 4.983,1184 4.031,1185 3.826,1186 3.858,1187 3.785,1188 3.707,1189 4.943,1190 3.718,1191 3.62,1192 3.684,1193 3.502,1194 3.48,1195 4.884,1196 3.475,1197 3.374,1198 3.437,1199 3.393,1200 3.223,1201 4.379,1202 3.222,1203 3.259,1204 3.302,1205 3.252,1206 3.162,1207 4.303,1208 3.135,1209 3.003,1210 3.067,1211 2.914,1212 2.836,1213 4.262,1214 2.832,1215 2.885,1216 2.963,1217 2.862,1218 2.808,1219 3.797,1220 2.775,1221 0.137,1222 0.096,1223 0.198,1224 0.123,1225 0.093,1226 4.527,1227 0.136,1228 3.163,1229 0.026,1230 6.533,1231 0.312,1232 4.059,1233 0.092,1234 3.073,1235 4.474,1236 0.86,1237 10.301,1238 3.03,1239 1.942,1240 1.918,1241 2.042,1242 2.023,1243 1.258,1244 2.03,1245 1.872,1246 1.847,1247 1.958,1248 1.982,1249 1.077,1250 1.975,1251 1.837,1252 1.819,1253 1.906,1254 1.943,1255 1.053,1256 1.946,1257 1.683,1258 1.63,1259 1.851,1260 1.859,1261 1.001,1262 1.866,1263 1.39,1264 1.352,1265 1.576,1266 1.622,1267 0.698,1268 1.616,1269 1.299,1270 1.264,1271 1.352,1272 1.383,1273 0.536,1274 1.416,1275 1.037,1276 0.979,1277 1.275,1278 1.244,1279 0.385,1280 1.262,1281 0.889,1282 0.847,1283 1.127,1284 1.153,1285 0.205,1286 1.152,1287 4.205,1289 5.525,1290 3.045,1291 7.034,1292 5.416,1293 8.627,1294 7.526,1295 10.262,1301 6.34,1303 1.182,1306 5.959,1308 -0.103,1314 33.202,1315 76.64,1316 184.085,1317 237.469,1318 267.121,1319 269.121,1320 269.121,1321 36.235,1322 8.046,1323 76.82,1324 105.06,1325 28,1326 12.621,1327 4.755,1328 3.807,1329 39.899,1330 133,1331 111,1332 0.143,1333 204.53,1334 332.42,1335 490.814,1336 42449,1338 19.631,1339 0.677,1340 0.57,1341 19.985,1342 16.525,1343 14.259,1344 0.432,1345 0.312,1346 9.459,1347 13.428,1348 9.187,1349 7.592,1350 14.667,1351 10.301,1352 12.793,1353 0.278,1354 0.177,1355 13.435,1356 8.152,1357 11.022,1358 0.178,1359 0.098,1360 11.843,1361 6.076,1362 9.492,1363 0.114,1364 0.054,1365 10.379,1366 4.515,1367 7.71,1368 0.076,1369 0.03,1370 8.511,1371 3.045,1372 0.231,1373 92.288,1374 0.208,1375 28.07,1376 0.373,1377 158,1378 405.531,1379 192.689,1380 422.951,1381 594.52,1382 400,1383 187,1384 432.028,1385 220.422,1386 458.96,1387 671.2,1388 433,1389 6.1}
{0 CHEMBL1966628,1 1.439,2 10,3 1.862,4 3.467,5 90.848,6 7.173,7 0.615,8 3.875,9 4.021,10 3.42,11 3.398,12 4.924,13 3.379,14 4.419,15 4.607,16 3.778,17 3.822,18 5.41,19 3.766,20 4.72,21 4.977,22 3.761,23 3.922,24 5.596,25 3.825,26 4.708,27 4.99,28 3.627,29 3.831,30 5.563,31 3.715,32 4.559,33 4.842,34 3.545,35 3.686,36 5.463,37 3.588,38 4.37,39 4.619,40 3.47,41 3.582,42 5.335,43 3.505,44 4.298,45 4.546,46 3.318,47 3.537,48 5.239,49 3.42,50 4.243,51 4.499,52 3.163,53 3.465,54 5.063,55 3.331,56 0.048,57 0.712,58 9.431,59 3.425,60 9.873,61 5.044,62 0.185,63 1.138,64 17.236,65 6.328,66 19.15,67 9.239,68 0.214,69 1.342,70 25.342,71 7.883,72 28.75,73 12.398,74 0.28,75 1.258,76 25.847,77 7.626,78 32.294,79 12.176,80 0.277,81 1.097,82 22.316,83 6.381,84 32.318,85 10.245,86 0.241,87 0.972,88 17.787,89 5.01,90 25.906,91 7.975,92 0.23,93 0.882,94 16.394,95 5.643,96 26.69,97 8.409,98 0.121,99 0.805,100 15.556,101 5.389,102 17.491,103 8.189,104 2,105 36,106 0.25,107 0.627,108 0.762,109 0.814,110 0.854,111 0.854,112 3.189,113 0.931,114 -3.38,115 -3.37,116 -3.22,119 39.5,121 4,127 2,142 3,143 2,145 2,146 1,150 1,151 1,161 1,163 1,164 1,165 1,172 5,174 1,175 5,178 3,180 6,183 5,185 2,188 3,193 5,196 4,198 2,200 6,203 1,205 4,208 1,212 1,213 7,217 1,218 1,220 1,221 1,225 1,228 1,229 1,230 1,233 4,237 1,238 1,240 2,241 3,243 1,246 6,255 2,258 4,264 2,269 4,272 4,274 2,276 686,277 15.947,278 15.947,279 15.947,280 15.947,281 15.947,282 14.129,283 12.649,284 9.509,285 16.271,286 12.875,287 12.875,288 12.875,289 12.875,290 12.875,291 10.178,292 20,293 4.557,294 13.426,295 3.987,296 1.82,297 1.041,298 0.744,299 0.512,300 0.512,301 3.892,304 1,305 1,306 1,307 513,308 2.121,311 45.114,312 196.7,315 85.916,319 1.478,320 16.019,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 49,332 230,333 4.594,334 3.162,335 6.71,336 4.134,337 3.158,338 4.531,339 0.4,340 10.906,341 3.086,342 4.06,343 2.859,344 5.811,345 3.676,346 2.729,347 3.681,349 8.137,350 2.597,351 3.665,352 2.564,353 5.54,354 3.484,355 2.522,356 2.933,358 7.41,359 2.416,360 3.459,361 2.318,362 5.147,363 3.17,364 2.219,365 2.567,367 6.325,368 2.106,369 3.079,370 2.002,371 4.824,372 2.876,373 1.923,374 2.32,376 5.458,377 1.826,378 3.045,379 1.548,380 4.512,381 2.514,382 1.547,383 2.222,385 4.275,386 1.493,387 2.898,388 1.504,389 4.016,390 2.437,391 1.482,392 1.979,394 3.49,395 1.412,396 2.668,397 1.207,398 3.571,399 2.15,400 1.198,401 1.743,403 2.703,404 1.138,405 2.5,406 1,407 3.477,408 2,409 1,410 1.5,412 2.429,413 1,414 2,415 1,416 3.414,417 1.949,418 1,419 1,421 2.275,422 0.946,423 1.971,424 0.488,425 3.086,426 1.424,427 0.486,428 0.717,430 1.168,431 0.455,432 1.303,433 0.376,434 2.904,435 1.134,436 0.194,437 0.208,439 0.47,440 0.182,441 0.853,442 -0.249,443 2.406,444 0.537,445 -0.406,446 -0.456,448 -0.958,449 -0.381,450 0.729,451 -0.602,452 2,453 0.332,454 -0.615,455 -0.825,457 -1.599,458 -0.58,459 0.656,460 -0.837,461 2,462 0.133,463 -0.84,464 -1,466 -2.054,467 -0.814,468 10.9,469 0.474,470 0.465,471 0.02,472 30.25,473 1.315,474 14.5,475 0.63,476 15.75,477 0.685,478 17.676,479 0.769,480 24.5,481 0.57,482 18.821,483 0.818,484 5.52,485 0.24,486 5.773,487 0.251,488 0.037,490 0.321,496 1.09,497 1.341,498 0.843,499 1.024,500 1.067,501 0.92,502 0.751,503 1.144,504 0.924,505 1.121,506 0.716,507 1.058,508 1.077,509 1.132,510 0.965,511 1.013,512 0.997,513 0.98,514 1.107,515 0.963,516 0.959,517 0.899,518 1.044,519 0.907,520 1.116,521 0.9,522 0.899,523 0.81,524 0.973,525 0.823,526 1.364,527 0.989,528 1.094,529 0.923,530 1.253,531 0.964,532 0.801,533 0.87,534 1.081,535 1.077,536 0.785,537 1.111,538 0.905,539 1.061,540 1.071,541 1.134,542 0.909,543 1.126,544 4,545 0.058,546 2.222,547 1.319,548 0.912,549 0.309,550 0.417,551 0.229,552 0.153,553 0.091,554 6149,555 13666,556 2.196,557 46.5,559 5,560 1,561 2,562 4,564 8,567 1.655,568 2.123,569 3.308,570 1.822,571 1,572 1,574 1,577 61.894,578 1.439,579 3.607,580 4.385,581 4.682,582 4.915,583 4.915,584 2.736,585 4.056,586 4.496,587 3.418,588 864.674,589 7.731,590 9763.79,592 1,594 1,595 233.329,596 1.121,597 4.483,598 0.154,599 0.005,600 0.062,601 0.039,602 0.031,603 0.011,604 0.017,605 0.011,606 0.008,607 0.006,608 0.345,609 0.33,610 1,611 0.393,612 107.641,613 -0.129,614 -0.102,615 0.045,616 0.034,617 -0.094,618 0.058,619 0.19,620 -0.002,621 -0.008,622 -0.087,623 0.153,624 -0.076,625 -0.093,626 -0.143,627 0.008,628 -0.035,629 -0.012,630 -0.006,631 -0.066,632 -0.019,633 0.04,634 0.051,635 -0.056,636 0.058,637 -0.001,638 0.056,639 0.109,640 0.124,641 0.02,642 0.13,643 -0.135,644 0.067,645 -0.106,646 0.004,647 -0.189,648 -0.039,649 0.148,650 0.144,651 -0.124,652 -0.084,653 0.115,654 -0.131,655 -0.099,656 -0.098,657 -0.119,658 -0.115,659 -0.102,660 -0.119,661 0.987,662 1.963,663 0.913,664 17.732,665 0.995,666 1.137,667 2.153,668 4.637,669 0.66,670 3.296,671 3.611,672 3.892,673 4.174,674 4.394,675 4.407,676 4.543,677 4.673,678 4.682,679 4.771,680 5.782,681 0.624,682 308.43,683 3.296,684 4.828,685 5.68,686 6.555,687 7.424,688 8.304,689 9.18,690 10.063,691 10.943,692 11.828,693 14,694 1,698 1,701 1,703 3,708 2,709 6,710 3,711 1,714 3,716 16,728 1,735 43,737 16,739 26,741 46,742 17,743 11,748 4,749 5,757 6,760 6,762 11,763 6,779 1,780 1,783 20,784 5,785 4,786 6,792 6,797 0.75,809 1,810 1,811 1,815 1,816 3,819 1,836 1,843 3,851 23,852 1,858 4,860 1,863 2,881 10.833,882 7.35,883 5,884 2.674,886 3.225,887 1.44,888 1.023,889 3.878,890 10.547,891 3.555,892 4.155,893 4.774,894 5.408,895 5.94,896 6.26,897 6.727,898 7.171,899 7.36,900 7.723,901 0.857,902 34,903 8.485,905 3.639,906 7.543,907 16.611,909 14.118,911 2.043,912 47,916 188.338,917 77.839,918 118.05,923 77.839,924 188.338,925 118.05,927 43.035,928 37.476,929 93.625,930 43.396,931 13.67,932 153.024,934 188.338,935 195.889,939 94.169,940 94.169,943 84.287,944 43.235,945 68.367,947 188.338,948 118.05,949 77.839,952 188.338,953 22.268,954 55.571,955 34.796,956 83.254,957 188.338,958 118.05,959 77.839,961 0.578,962 0.336,963 0.187,964 0.104,965 19,966 7,967 0.065,968 3,969 1,970 1.095,971 3.652,972 187.43,973 0.095,974 21,975 100.042,981 14.462,982 6.168,983 3.016,984 1.942,985 101.265,986 11.44,987 13.364,988 3.187,991 2.625,993 67.693,994 384.227,995 34,1007 42.796,1008 48.896,1009 0.265,1010 0.665,1011 0.808,1012 0.863,1013 0.906,1014 0.906,1015 4.779,1016 1.198,1017 5.645,1018 3.49,1019 4.29,1020 4.84,1021 0.278,1022 6.435,1023 4.21,1024 5.964,1025 1,1026 7.182,1027 2.703,1028 3.761,1029 4.543,1031 7.273,1032 3.649,1033 7.255,1034 1,1035 8.817,1036 2.429,1037 5.855,1038 7.049,1039 0.05,1040 10.388,1041 5.704,1042 8.585,1043 0.486,1044 10.515,1045 2.275,1046 6.176,1047 7.681,1049 12.119,1050 6.002,1051 9.952,1052 0.194,1053 12.254,1054 1.168,1055 7.706,1056 9.616,1057 0.008,1058 14.739,1059 7.498,1060 11.348,1061 -0.406,1062 14.024,1063 0.47,1064 8.438,1065 10.706,1067 16.849,1068 8.213,1069 12.767,1070 -0.615,1071 15.818,1072 -0.958,1073 9.728,1074 12.393,1075 0.001,1076 19.309,1077 9.474,1078 3.158,1079 -0.84,1080 17.629,1081 -1.599,1082 10.666,1083 13.705,1085 21.579,1086 10.397,1087 2.729,1088 10.906,1089 19.456,1090 -2.054,1091 11.855,1092 15.284,1094 23.988,1095 11.56,1096 2.522,1097 8.137,1098 21.295,1099 4.531,1100 12.894,1101 16.701,1103 26.326,1104 12.584,1105 2.219,1106 7.41,1107 23.144,1108 3.681,1109 14.044,1110 18.236,1112 28.719,1113 13.712,1114 1.923,1115 6.325,1116 25.002,1117 2.933,1118 15.133,1119 19.701,1121 31.085,1122 14.784,1123 1.547,1124 5.458,1125 26.866,1126 2.567,1127 16.271,1128 21.218,1130 33.475,1131 15.902,1132 1.482,1133 4.275,1134 28.737,1135 2.32,1136 17.385,1137 22.705,1139 35.853,1140 16.998,1141 5726,1142 8679,1143 18.087,1144 28.364,1145 39.111,1146 38.948,1147 39.562,1148 38.913,1149 38.914,1150 50.804,1151 0.8,1152 110.091,1153 37.313,1154 5.594,1155 5.162,1156 6.392,1157 5.207,1158 5.158,1159 7.531,1160 0.8,1161 18.065,1162 5.086,1163 6.336,1164 1.504,1165 1.498,1166 1.522,1167 1.497,1168 1.497,1169 1.954,1170 0.031,1171 4.234,1172 1.435,1173 4.124,1174 4.165,1175 4.092,1176 4.013,1177 5.105,1178 4.028,1179 3.901,1180 3.963,1181 3.803,1182 3.763,1183 5.001,1184 3.759,1185 3.744,1186 3.802,1187 3.669,1188 3.586,1189 4.936,1190 3.604,1191 3.371,1192 3.438,1193 3.271,1194 3.214,1195 4.352,1196 3.221,1197 3.268,1198 3.361,1199 3.12,1200 3.051,1201 4.209,1202 3.055,1203 3.111,1204 3.206,1205 2.866,1206 2.941,1207 3.96,1208 2.91,1209 2.887,1210 2.98,1211 2.801,1212 2.657,1213 3.849,1214 2.686,1215 2.83,1216 2.922,1217 2.684,1218 2.593,1219 3.717,1220 2.607,1221 0.177,1222 0.122,1223 0.258,1224 0.159,1225 0.121,1226 4.594,1227 0.174,1228 3.162,1229 0.015,1230 6.71,1231 0.419,1232 4.134,1233 0.119,1234 3.158,1235 4.531,1236 0.4,1237 10.906,1238 3.086,1239 1.912,1240 1.879,1241 2.085,1242 2.061,1243 1.464,1244 2.068,1245 1.868,1246 1.816,1247 1.972,1248 2.002,1249 1.082,1250 1.997,1251 1.725,1252 1.675,1253 1.827,1254 1.915,1255 0.835,1256 1.895,1257 1.391,1258 1.323,1259 1.556,1260 1.634,1261 0.825,1262 1.619,1263 1.23,1264 1.145,1265 1.513,1266 1.499,1267 0.76,1268 1.506,1269 1.153,1270 1.064,1271 1.492,1272 1.376,1273 0.514,1274 1.429,1275 1.003,1276 0.952,1277 1.179,1278 1.172,1279 0.282,1280 1.179,1281 0.787,1282 0.693,1283 1.099,1284 1.11,1285 0.068,1286 1.123,1287 3.97,1289 5.283,1290 2.398,1291 6.795,1292 4.727,1293 8.392,1294 6.843,1295 10.033,1301 5.963,1303 4.272,1305 3.448,1308 0.758,1314 26.816,1315 61.894,1316 155.091,1317 188.574,1318 201.329,1319 211.329,1320 211.329,1321 28.243,1322 7.322,1323 92.51,1324 92.51,1325 23,1326 12.361,1327 4.087,1328 3.17,1329 31.934,1330 80,1331 84,1332 0.197,1333 164.541,1334 268.04,1335 393.239,1336 15185,1338 15.648,1339 0.68,1340 0.559,1341 15.648,1342 12.866,1343 11.293,1344 0.434,1345 0.31,1346 7.976,1347 10.929,1348 7.856,1349 6.496,1350 11.293,1351 8.071,1352 10.104,1353 0.281,1354 0.17,1355 10.104,1356 6.123,1357 8.62,1358 0.18,1359 0.093,1360 8.62,1361 4.488,1362 7.336,1363 0.115,1364 0.05,1365 7.336,1366 3.192,1367 6.104,1368 0.076,1369 0.028,1370 6.104,1371 2.256,1372 0.307,1373 70.225,1374 0.235,1375 22.599,1376 0.541,1377 124,1378 300.913,1379 134.519,1380 300.596,1381 426.79,1382 284,1383 146,1384 330.324,1385 156.491,1386 335.28,1387 492.12,1388 318,1389 7.4}
{0 CHEMBL1966703,1 1.553,2 7.083,3 3.471,4 12.049,5 93.552,6 7.396,7 0.407,8 3.893,9 4.014,10 3.455,11 3.463,12 5.005,13 3.437,14 4.446,15 4.618,16 3.896,17 3.916,18 5.483,19 3.876,20 4.742,21 4.913,22 4.009,23 4.119,24 5.802,25 4.052,26 4.995,27 5.254,28 4.062,29 4.147,30 6.023,31 4.068,32 4.826,33 5.023,34 4.045,35 4.074,36 5.995,37 4.036,38 4.815,39 5.007,40 4.063,41 4.032,42 6.162,43 3.976,44 4.844,45 5.111,46 3.403,47 3.836,48 5.889,49 3.684,50 4.507,51 4.838,52 2.753,53 3.434,54 5.269,55 3.18,56 0.06,57 0.718,58 9.099,59 4.272,60 9.725,61 5.425,62 0.085,63 1.2,64 17.1,65 7.494,66 18.105,67 9.954,68 0.166,69 1.581,70 23.447,71 9.869,72 37.27,73 12.799,74 0.401,75 1.805,76 34.936,77 12.134,78 65.217,79 16.804,80 0.378,81 1.644,82 27.706,83 9.332,84 56.153,85 12.029,86 0.581,87 1.739,88 26.999,89 9.625,90 86.435,91 12.94,92 0.608,93 1.556,94 31.492,95 9.569,96 96.528,97 12.576,98 0.244,99 0.945,100 22.936,101 7.805,102 37.849,103 11.628,104 26,105 42,106 0.269,107 0.65,108 0.788,109 0.835,110 0.843,111 0.843,112 3.231,113 0.907,114 -5.12,115 -5.02,116 -4.7,119 43.2,120 3,121 2,122 1,123 1,136 1,138 1,142 4,143 2,144 1,147 1,152 1,156 1,168 1,172 11,174 1,175 4,180 4,183 17,188 4,191 1,193 3,196 10,200 8,203 1,205 7,208 14,213 3,218 3,221 9,225 7,228 1,229 1,230 7,233 13,238 2,243 4,246 8,258 7,272 2,276 742,277 15.723,278 15.723,279 15.723,280 15.723,281 15.723,282 13.812,283 19.011,284 8.837,285 15.94,286 13.332,287 13.332,288 13.332,289 13.332,290 13.332,291 10.519,292 24.686,293 4.193,294 13.709,295 3.907,296 1.711,297 0.915,298 0.642,299 0.597,300 0.597,301 3.92,304 1,305 1,306 1,307 369,308 2.739,311 38.719,312 143.153,315 67.466,316 74.489,319 0.861,320 29.915,321 1,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 52,332 170,333 4.72,334 3.835,335 7.218,336 4.44,337 3.454,338 4.297,339 1.36,340 12.785,341 3.407,342 4.322,343 3.365,344 6.787,345 4.178,346 3.184,347 3.785,348 0.986,349 11.216,350 3.163,351 4.152,352 3.069,353 6.3,354 3.731,355 2.766,356 3.696,357 0.765,358 9.321,359 2.664,360 3.906,361 2.816,362 6.118,363 3.565,364 2.591,365 3.032,367 8.747,368 2.518,369 3.488,370 2.656,371 5.302,372 3.032,373 2.087,374 2.705,376 6.422,377 1.965,378 3.064,379 2.312,380 4.937,381 2.734,382 1.776,383 2.217,385 5.136,386 1.695,387 2.937,388 1.939,389 4.802,390 2.594,391 1.639,392 2.028,394 4.828,395 1.56,396 2.859,397 1.628,398 4.067,399 2.381,400 1.414,401 2.009,403 3.221,404 1.353,405 2.595,406 1.305,407 3.738,408 2.153,409 1.166,410 1.632,412 2.897,413 1.149,414 2.104,415 0.994,416 3.593,417 1.741,418 0.765,419 0.987,421 2.036,422 0.744,423 1.307,424 0.468,425 3.324,426 0.975,432 1.082,433 0.455,434 3.138,435 0.901,436 -0.04,437 -0.049,439 -0.107,440 -0.038,441 0.929,442 0.097,443 2.801,444 0.573,445 -0.371,446 -0.412,448 -1.04,449 -0.346,450 0.642,451 -0.049,452 2.458,453 0.353,454 -0.566,455 -0.674,457 -1.48,458 -0.511,459 0.527,460 -0.293,461 2.335,462 0.304,463 -0.664,464 -0.759,466 -1.735,467 -0.64,468 11.319,469 0.472,470 0.886,471 0.037,472 28.5,473 1.188,474 13.5,475 0.563,476 15,477 0.625,478 24.528,479 1.022,480 25.881,481 0.588,482 19.97,483 0.832,484 5.271,485 0.22,486 6.1,487 0.254,488 0.187,489 0.044,490 0.398,494 1,496 0.672,497 0.958,498 0.778,499 0.968,500 0.679,501 0.912,502 0.548,503 0.974,504 0.65,505 0.929,506 0.511,507 0.833,508 0.896,509 1.184,510 1.076,511 1.254,512 0.908,513 1.214,514 0.922,515 0.918,516 0.759,517 0.827,518 0.898,519 0.772,520 1.484,521 1.062,522 1.101,523 0.936,524 1.416,525 0.939,526 0.855,527 1.289,528 1.026,529 1.297,530 0.897,531 1.222,532 1.809,533 1.064,534 1.56,535 1.04,536 1.809,537 1.202,538 0.56,539 0.766,540 0.962,541 0.959,542 0.462,543 1.019,544 6,546 3.111,547 2.847,548 2.323,549 1.576,550 0.816,551 0.506,552 0.074,553 0.031,554 5142,555 13022,556 2.074,557 45.5,558 7,559 4,562 2,563 5,564 2,567 1.682,568 1.882,569 2.758,570 0.255,572 1,574 1,577 68.311,578 1.553,579 3.748,580 4.544,581 4.817,582 4.863,583 4.863,584 2.147,585 4.418,586 4.56,587 2.913,588 803.944,589 7.936,590 8944.34,592 1,594 1,595 240.215,596 1.724,597 4.481,598 0.222,600 0.074,601 0.065,602 0.051,603 0.035,604 0.019,605 0.027,606 0.008,607 0.016,608 0.516,609 0.33,610 1,611 0.663,612 108.593,613 -0.01,614 0.08,615 0.034,616 0.087,617 -0.063,618 0.068,619 0.061,620 0.003,621 0.206,622 0.109,623 0.064,624 0.169,625 -0.067,626 -0.16,627 -0.193,628 -0.233,629 -0.089,630 -0.239,631 0.028,632 0.005,633 0.238,634 0.142,635 0.049,636 0.217,637 -0.225,638 -0.039,639 -0.121,640 0.013,641 -0.179,642 -0.022,643 0.349,644 -0.177,645 -0.056,646 -0.324,647 0.307,648 -0.288,649 -0.367,650 0.069,651 -0.494,652 -0.112,653 -0.331,654 -0.279,655 0.03,656 -0.037,657 0.042,658 -0.011,659 0.075,660 0.014,661 1.944,662 6.569,663 0.792,664 14.743,665 1.002,666 1.131,667 3.891,668 15.141,669 0.665,670 3.332,671 3.761,672 4.078,673 4.477,674 4.771,675 4.984,676 5.112,677 5.318,678 5.303,679 5.236,680 4.518,681 0.634,682 325.42,683 3.332,684 4.934,685 5.826,686 6.774,687 7.69,688 8.645,689 9.57,690 10.526,691 11.457,692 12.413,693 6.8,701 1,702 1,703 1,709 4,710 1,711 1,714 5,716 11,734 1,735 44,737 13,738 1,739 27,741 47,742 19,743 9,744 2,745 4,746 3,748 4,749 7,754 3,755 1,756 1,757 2,758 1,760 2,762 12,763 7,764 1,767 2,775 1,776 3,779 1,780 1,781 1,783 20,784 4,785 2,786 5,792 3,797 0.5,798 1,807 1,815 1,816 3,819 1,820 1,826 1,834 1,835 1,841 1,843 2,847 3,849 1,851 24,857 1,858 2,863 1,865 1,873 1,874 2.3,876 1,881 12.75,882 8.91,883 4.972,884 2.661,886 2.846,887 1.375,888 0.97,889 3.347,890 10.426,891 3.57,892 4.23,893 4.805,894 5.441,895 5.95,896 6.345,897 6.745,898 7.181,899 7.452,900 7.634,901 0.8,902 44,903 8.966,905 4.044,906 7.809,907 17.089,909 14.933,911 2.309,912 55.417,915 1,916 211.88,917 95.969,918 50.112,920 42.683,921 14.96,923 95.969,924 254.563,925 65.072,926 26.476,927 5.069,928 37.905,929 62.103,930 52.126,931 20.045,932 211.88,934 211.88,935 146.08,936 57.643,939 203.298,940 66.226,943 64.993,944 64.424,945 16.663,947 226.84,948 92.795,949 95.969,952 211.88,953 31.588,954 64.381,955 16.663,956 91.092,957 211.88,958 107.755,959 95.969,961 0.608,962 0.355,963 0.21,964 0.121,965 24,966 11,967 0.021,968 1,969 2,970 1.211,971 3.33,972 222.241,973 0.211,974 19,975 108.039,981 15.438,982 5.203,983 2.398,985 91.092,986 6.737,987 4.286,988 2.96,991 2.582,993 59.346,994 415.604,995 34.5,1003 4.674,1004 1.872,1007 44.098,1008 49.781,1009 0.284,1010 0.687,1011 0.832,1012 0.882,1013 0.891,1014 0.891,1015 4.881,1016 1.414,1017 5.894,1018 4.828,1019 4.443,1020 4.916,1021 1.93,1022 6.838,1023 4.39,1024 6.147,1025 1.166,1026 7.538,1027 3.221,1028 4.369,1029 4.902,1030 1.06,1031 8.106,1032 4.299,1033 7.51,1034 0.765,1035 9.287,1036 2.897,1037 6.209,1038 7.141,1039 2.004,1040 11.209,1041 6.125,1042 8.903,1044 11.094,1045 2.036,1046 6.889,1047 7.875,1048 1.679,1049 13.234,1050 6.796,1051 10.324,1052 -0.04,1053 12.938,1055 8.295,1056 9.644,1057 2.278,1058 15.926,1059 8.192,1060 11.766,1061 -0.371,1062 14.806,1063 -0.107,1064 9.286,1065 10.729,1066 2.248,1067 18.246,1068 9.175,1069 13.222,1070 -0.566,1071 16.691,1072 -1.04,1073 10.55,1074 12.304,1075 2.696,1076 20.813,1077 10.429,1078 3.454,1079 -0.664,1080 18.59,1081 -1.48,1082 11.668,1083 13.561,1084 2.825,1085 23.252,1086 11.539,1087 3.184,1088 12.785,1089 20.498,1090 -1.735,1091 12.889,1092 15.052,1093 3.201,1094 25.784,1095 12.75,1096 2.766,1097 11.216,1098 22.414,1099 4.297,1100 14.061,1101 16.395,1102 3.415,1103 28.274,1104 13.912,1105 2.591,1106 9.321,1107 24.337,1108 3.785,1109 15.272,1110 17.851,1111 3.757,1112 30.799,1113 15.113,1114 2.087,1115 8.747,1116 26.265,1117 3.696,1118 16.468,1119 19.239,1120 4.015,1121 33.312,1122 16.298,1123 1.776,1124 6.422,1125 28.198,1126 3.032,1127 17.68,1128 20.682,1129 4.341,1130 35.84,1131 17.499,1132 1.639,1133 5.136,1134 30.135,1135 2.705,1136 18.888,1137 22.095,1138 4.622,1139 38.365,1140 18.696,1141 4997,1142 8062,1143 17.512,1144 29.262,1145 42.797,1146 42.794,1147 43.981,1148 41.78,1149 41.684,1150 52.774,1151 6.221,1152 133.22,1153 40.436,1154 5.672,1155 5.835,1156 6.902,1157 5.491,1158 5.454,1159 7.297,1160 2.346,1161 20.396,1162 5.407,1163 13.069,1164 1.585,1165 1.585,1166 1.629,1167 1.547,1168 1.544,1169 1.955,1170 0.23,1171 4.934,1172 1.498,1173 4.104,1174 4.14,1175 4.068,1176 4.01,1177 8.201,1178 4.018,1179 3.849,1180 3.882,1181 3.792,1182 3.769,1183 6.466,1184 3.767,1185 3.801,1186 3.857,1187 3.722,1188 3.656,1189 5.047,1190 3.666,1191 3.387,1192 3.445,1193 3.266,1194 3.246,1195 4.637,1196 3.243,1197 3.153,1198 3.22,1199 3.043,1200 2.953,1201 4.476,1202 2.964,1203 2.983,1204 3.064,1205 2.865,1206 2.838,1207 4.142,1208 2.827,1209 2.938,1210 3.033,1211 2.791,1212 2.733,1213 3.868,1214 2.734,1215 2.895,1216 3.009,1217 2.7,1218 2.694,1219 3.691,1220 2.683,1221 0.175,1222 0.142,1223 0.267,1224 0.164,1225 0.128,1226 4.72,1227 0.159,1228 3.835,1229 0.05,1230 7.218,1231 0.474,1232 4.44,1233 0.126,1234 3.454,1235 4.297,1236 1.36,1237 12.785,1238 3.407,1239 2.004,1240 1.981,1241 2.108,1242 2.094,1243 1.429,1244 2.099,1245 1.845,1246 1.813,1247 1.99,1248 1.951,1249 1.202,1250 1.965,1251 1.621,1252 1.578,1253 1.797,1254 1.782,1255 0.925,1256 1.785,1257 1.426,1258 1.351,1259 1.642,1260 1.683,1261 0.745,1262 1.668,1263 1.178,1264 1.127,1265 1.417,1266 1.424,1267 0.588,1268 1.413,1269 1.012,1270 0.94,1271 1.379,1272 1.239,1273 0.515,1274 1.308,1275 0.934,1276 0.823,1277 1.322,1278 1.237,1279 0.469,1280 1.259,1281 0.906,1282 0.804,1283 1.183,1284 1.193,1285 0.176,1286 1.227,1287 4.007,1289 5.407,1290 2.398,1291 7.002,1292 4.727,1293 8.697,1294 6.823,1295 10.448,1297 6.114,1299 14.569,1302 10.762,1303 1.307,1308 -0.372,1310 -0.074,1314 27.904,1315 68.311,1316 164.912,1317 199.95,1318 211.95,1319 213.95,1320 213.95,1321 49.373,1322 7.58,1323 61.27,1324 61.27,1325 23,1326 12.903,1327 3.807,1328 3.087,1329 33.342,1330 63,1331 62,1332 0.265,1333 168.537,1334 295.4,1335 402.99,1336 17854,1337 2.3,1338 17.06,1339 0.711,1340 0.584,1341 16.19,1342 14.021,1343 11.372,1344 0.421,1345 0.302,1346 8.079,1347 10.998,1348 7.749,1349 6.446,1350 10.961,1351 8.165,1352 11.518,1353 0.274,1354 0.178,1355 10.99,1356 7.477,1357 9.252,1358 0.16,1359 0.085,1360 8.773,1361 4.923,1362 8.764,1363 0.101,1364 0.045,1365 8.424,1366 3.907,1367 7.043,1368 0.06,1369 0.024,1370 6.807,1371 2.805,1372 0.384,1373 70.991,1374 0.239,1375 22.177,1376 0.837,1377 138,1378 395.884,1379 149.485,1380 365.301,1381 500.24,1382 340,1383 169,1384 375.632,1385 180.758,1386 378.674,1387 559.68,1388 355,1389 5.1}
{0 CHEMBL1966722,1 1.74,2 11.214,3 4.272,4 18.253,5 114.116,6 8.955,7 0.6,8 3.926,9 4.032,10 3.635,11 3.553,12 5.139,13 3.52,14 4.373,15 4.49,16 4.029,17 3.916,18 5.612,19 3.868,20 4.686,21 4.85,22 4.14,23 4.059,24 6.005,25 3.985,26 4.733,27 4.908,28 4.105,29 4.021,30 6.029,31 3.953,32 4.748,33 4.928,34 4.147,35 4.005,36 6.095,37 3.942,38 4.723,39 4.929,40 4.002,41 3.973,42 5.947,43 3.864,44 4.599,45 4.831,46 3.98,47 3.896,48 5.722,49 3.743,50 4.415,51 4.625,52 3.766,53 3.762,54 5.585,55 3.613,56 0.1,57 0.63,58 6.892,59 3.73,60 12.868,61 4.357,62 0.158,63 0.979,64 12.09,65 6.045,66 19.931,67 7.389,68 0.445,69 1.278,70 25.039,71 9.488,72 65.043,73 11.116,74 0.419,75 1.322,76 26.281,77 9.83,78 63.631,79 10.694,80 0.51,81 1.391,82 27.248,83 9.897,84 80.844,85 10.275,86 0.489,87 1.384,88 28.686,89 9.937,90 72.487,91 10.811,92 0.36,93 1.208,94 29.359,95 9.681,96 49.463,97 11.234,98 0.292,99 1.005,100 25.295,101 8.68,102 42.834,103 9.589,104 17,105 41,106 0.296,107 0.513,108 0.626,109 0.749,110 0.769,111 0.769,112 3.374,113 0.925,114 -4.98,115 -4.88,116 -4.58,119 45.7,130 1,142 14,143 2,144 2,158 1,159 1,169 1,172 14,178 1,179 1,180 4,183 17,188 2,191 2,192 2,193 8,196 14,200 4,204 1,205 12,208 8,213 4,216 1,218 15,221 10,225 2,229 1,230 10,233 8,238 2,243 7,246 4,250 2,255 7,258 5,269 4,272 12,276 1320,277 18.747,278 18.747,279 18.747,280 18.747,281 18.747,282 16.274,283 18.538,284 11.263,285 19.11,286 14.772,287 14.772,288 14.772,289 14.772,290 14.772,291 11.171,292 21.476,293 5.32,294 15.432,295 3.784,296 2.508,297 1.844,298 1.12,299 1,300 1,301 4.053,302 1,305 1,306 1,307 666,308 4.123,312 326.896,319 1.571,320 30.149,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 59.833,332 314,333 4.793,334 4.38,335 8.082,336 4.631,337 3.655,338 4.137,339 2.538,340 15.289,341 3.56,342 4.043,343 3.78,344 5.58,345 3.615,346 2.678,347 3.629,348 1.737,349 7.488,350 2.509,351 3.736,352 3.085,353 5.527,354 3.278,355 2.34,356 3.298,357 1.214,358 6.623,359 2.278,360 3.677,361 2.939,362 5.412,363 3.244,364 2.278,365 2.957,366 0.142,367 6.182,368 2.173,369 3.533,370 2.417,371 5.02,372 3.084,373 2.116,374 2.86,376 5.863,377 1.944,378 3.278,379 2.361,380 4.696,381 2.805,382 1.896,383 2.499,385 5.108,386 1.675,387 3.007,388 1.904,389 4.13,390 2.555,391 1.571,392 2.136,394 3.646,395 1.514,396 2.781,397 1.38,398 3.669,399 2.317,400 1.317,401 1.908,403 2.901,404 1.317,405 2.5,406 1.271,407 3.43,408 2,409 1,410 1.5,412 2.275,413 1,414 2.5,415 1.102,416 3.414,417 2,418 1,419 1.5,421 2.2,422 1,423 2.5,424 1,425 3.247,426 2,427 1,428 1.5,430 2.136,431 1,432 2.208,433 1,434 3.247,435 1.838,436 0.879,437 1.108,439 2.136,440 0.835,441 1.704,442 1,443 3.077,444 1.38,445 0.386,446 0.459,448 0.901,449 0.37,450 1.394,451 0.807,452 2.703,453 0.896,454 0.03,455 0.038,457 0.065,458 0.023,459 0.719,460 0.318,461 2.645,462 0.295,463 -0.656,464 -0.798,466 -1.571,467 -0.458,468 13.914,469 0.497,470 0.675,471 0.024,472 37.75,473 1.348,474 21,475 0.75,476 16.75,477 0.598,478 21.42,479 0.765,480 28.686,481 0.624,482 30.442,483 1.087,484 7.851,485 0.28,486 5.646,487 0.202,488 0.159,489 0.036,490 0.216,496 0.808,497 0.871,498 0.585,499 0.672,500 0.773,501 0.736,502 0.66,503 1.203,504 0.666,505 0.998,506 0.694,507 1.005,508 0.88,509 1.078,510 0.946,511 1.059,512 0.91,513 1.023,514 1.471,515 1.124,516 0.934,517 0.979,518 1.508,519 0.983,520 1.473,521 1.157,522 0.862,523 0.992,524 1.61,525 0.939,526 1.304,527 1.074,528 1.001,529 0.986,530 1.338,531 1.003,532 0.852,533 0.944,534 0.779,535 0.866,536 0.815,537 0.903,538 0.921,539 0.941,540 1.17,541 1.138,542 0.992,543 0.962,544 6,545 0.062,546 3.778,547 2.5,548 1.48,549 0.604,550 0.665,551 0.398,552 0.276,553 0.192,554 9500,555 30915,556 2.025,557 39.1,559 14,562 4,567 1.712,568 1.898,569 3.414,570 1.662,572 1,577 80.032,578 1.74,579 3.016,580 3.68,581 4.404,582 4.524,583 4.524,584 2.843,585 3.736,586 4.777,587 3.598,588 1360,589 8.319,590 18069.2,592 1,594 1,595 254.084,596 1.486,597 4.731,598 0.2,599 0.003,600 0.092,601 0.057,602 0.035,603 0.014,604 0.019,605 0.013,606 0.01,607 0.008,608 0.451,610 1,611 0.573,612 140.664,613 -0.075,614 0.193,615 -0.013,616 0.108,617 -0.156,618 0.077,619 0.1,620 -0.178,621 -0.004,622 -0.174,623 -0.005,624 -0.154,625 0.177,626 -0.084,627 -0.055,628 -0.13,629 0.164,630 -0.097,631 -0.155,632 -0.128,633 -0.07,634 -0.055,635 -0.101,636 -0.068,637 -0.119,638 -0.104,639 -0.011,640 -0.032,641 -0.082,642 -0.032,643 -0.166,644 -0.01,645 -0.08,646 -0.005,647 -0.142,648 -0.056,649 -0.004,650 0.083,651 0.206,652 0.175,653 0.023,654 0.122,655 -0.036,656 0.094,657 -0.023,658 0.035,659 -0.017,660 0.08,661 3.134,662 5.939,663 0.643,664 26.306,665 1.009,666 1.111,667 3.751,668 14.069,669 0.729,670 3.434,671 3.738,672 3.989,673 4.174,674 4.344,675 4.234,676 4.304,677 4.234,678 4.111,679 4.111,680 6.612,681 0.69,682 411.94,683 3.434,684 4.963,685 5.802,686 6.671,687 7.535,688 8.414,689 9.29,690 10.175,691 11.058,692 11.946,693 6.5,700 3,709 14,714 4,716 18,734 1,735 46,737 20,738 3,739 30,741 48,742 21,743 18,744 4,745 14,748 3,749 3,750 1,753 1,762 20,763 1,764 1,767 2,772 1,773 1,776 2,780 1,783 18,784 5,785 4,786 7,787 2,792 3,795 1,797 1,798 2,801 1,816 3,841 1,843 3,845 1,848 1,851 28,857 1,860 3,865 1,873 1,874 4.3,875 1,877 1,881 14.75,882 7.843,883 6.25,884 2.447,886 2.117,887 1.312,888 0.947,889 6.645,890 8.906,891 3.738,892 4.284,893 4.785,894 5.281,895 5.774,896 5.688,897 6.001,898 6.17,899 6.128,900 6.316,901 1,902 44,903 10.359,905 4.459,906 7.912,907 19.141,909 15.264,911 2.412,912 67.528,915 1,916 164.795,917 195.477,918 53.787,919 39.149,920 67.828,922 45.192,923 150.285,924 271.772,925 53.787,927 53.787,928 175.351,929 29.85,930 12.629,931 0.285,932 164.795,933 84.341,934 164.795,935 204.072,936 67.828,937 84.341,939 164.795,940 25.145,941 42.683,943 53.787,944 150.285,945 39.149,946 45.192,947 164.795,948 121.615,949 234.626,952 164.795,953 17.618,954 132.667,955 53.787,956 152.169,957 164.795,958 121.615,959 234.626,961 0.576,962 0.338,963 0.178,964 0.099,965 18,966 8,967 0.104,968 5,970 1,971 3.907,972 234.899,974 18,975 110.606,978 1,981 20.297,982 9.168,983 4.898,985 121.615,986 24.378,991 2.195,993 96.471,994 521.037,995 41,1000 12.939,1001 5.192,1004 -0.496,1007 46.429,1008 51.099,1009 0.315,1010 0.546,1011 0.666,1012 0.797,1013 0.819,1014 0.819,1015 4.952,1016 1.317,1017 5.802,1018 3.646,1019 4.419,1020 4.97,1021 2.898,1022 6.663,1023 4.34,1024 6.156,1025 1,1026 7.404,1027 2.901,1028 4.111,1029 4.635,1030 2.812,1031 8.071,1032 3.933,1033 7.463,1034 1,1035 9.148,1036 2.275,1037 6.084,1038 7.078,1039 4.163,1040 11.221,1041 5.943,1042 8.812,1043 1,1044 10.992,1045 2.2,1046 6.698,1047 7.532,1048 4.696,1049 13.61,1050 6.493,1051 10.202,1052 0.879,1053 12.909,1054 2.136,1055 8.185,1056 9.466,1057 5.772,1058 16.434,1059 7.994,1060 11.623,1061 0.386,1062 14.879,1063 2.136,1064 9.211,1065 10.314,1066 6.546,1067 19.082,1068 8.982,1069 13.07,1070 0.03,1071 16.887,1072 0.901,1073 10.548,1074 12.009,1075 7.528,1076 21.833,1077 10.314,1078 3.655,1079 -0.656,1080 18.921,1081 0.065,1082 11.743,1083 13.085,1084 8.397,1085 24.541,1086 11.48,1087 2.678,1088 15.289,1089 20.973,1090 -1.571,1091 13.041,1092 14.65,1093 9.346,1094 27.275,1095 12.763,1096 2.34,1097 7.488,1098 23.037,1099 4.137,1100 14.299,1101 15.862,1102 10.252,1103 29.997,1104 13.995,1105 2.278,1106 6.623,1107 25.11,1108 3.629,1109 15.59,1110 17.355,1111 11.189,1112 32.726,1113 15.265,1114 2.116,1115 6.182,1116 27.188,1117 3.298,1118 16.871,1119 18.65,1120 12.11,1121 35.452,1122 16.521,1123 1.896,1124 5.863,1125 29.27,1126 2.957,1127 18.163,1128 20.103,1129 13.043,1130 38.18,1131 17.79,1132 1.571,1133 5.108,1134 31.354,1135 2.86,1136 19.453,1137 21.447,1138 13.97,1139 40.907,1140 19.054,1141 9257,1142 16842,1143 19.761,1144 33.523,1145 45.043,1146 46.341,1147 45.993,1148 44.624,1149 44.291,1150 59.06,1151 11.263,1152 125.626,1153 42.399,1154 5.737,1155 6.38,1156 7.883,1157 5.665,1158 5.655,1159 7.137,1160 4.129,1161 23.242,1162 5.56,1163 13.308,1164 1.501,1165 1.545,1166 1.533,1167 1.487,1168 1.476,1169 1.969,1170 0.375,1171 4.188,1172 1.413,1173 4.013,1174 4.034,1175 4.032,1176 3.947,1177 7.43,1178 3.946,1179 3.904,1180 3.932,1181 3.95,1182 3.844,1183 6.442,1184 3.835,1185 3.808,1186 3.841,1187 3.86,1188 3.753,1189 4.979,1190 3.743,1191 3.561,1192 3.617,1193 3.729,1194 3.395,1195 4.834,1196 3.366,1197 3.331,1198 3.353,1199 3.411,1200 3.221,1201 4.762,1202 3.202,1203 2.98,1204 3.044,1205 3.302,1206 2.796,1207 4.688,1208 2.792,1209 2.854,1210 2.925,1211 2.889,1212 2.735,1213 4.314,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 4.022,1220 2.715,1221 0.16,1222 0.146,1223 0.269,1224 0.154,1225 0.122,1226 4.793,1227 0.138,1228 4.38,1229 0.085,1230 8.082,1231 0.51,1232 4.631,1233 0.119,1234 3.655,1235 4.137,1236 2.538,1237 15.289,1238 3.56,1239 1.976,1240 1.957,1241 2.074,1242 2.06,1243 1.203,1244 2.063,1245 1.881,1246 1.857,1247 1.969,1248 1.97,1249 1.06,1250 1.98,1251 1.824,1252 1.794,1253 1.961,1254 1.905,1255 1.01,1256 1.926,1257 1.425,1258 1.386,1259 1.513,1260 1.71,1261 0.549,1262 1.672,1263 1.238,1264 1.218,1265 1.3,1266 1.426,1267 0.353,1268 1.415,1269 0.887,1270 0.83,1271 1.181,1272 1.164,1273 0.218,1274 1.15,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.111,1289 5.416,1291 6.934,1293 8.549,1295 10.218,1298 5.857,1302 11.325,1305 8.022,1310 -1.884,1314 31.723,1315 80.032,1316 138.723,1317 169.271,1318 202.574,1319 208.084,1320 208.084,1321 60.841,1322 6.789,1323 73.39,1324 105.48,1325 18,1326 12.478,1327 4.392,1328 3.585,1329 49.629,1330 108,1331 130,1332 0.218,1333 205.667,1334 357.34,1335 493.588,1336 7002,1337 2.2,1338 19.985,1339 0.714,1340 0.582,1341 20.985,1342 16.297,1343 13.497,1344 0.45,1345 0.308,1346 8.45,1347 12.628,1348 8.217,1349 6.831,1350 14.074,1351 9.25,1352 11.981,1353 0.292,1354 0.167,1355 12.798,1356 6.827,1357 9.995,1358 0.189,1359 0.086,1360 10.546,1361 4.559,1362 7.684,1363 0.12,1364 0.047,1365 8.101,1366 2.982,1367 6.187,1368 0.081,1369 0.026,1370 6.665,1371 1.989,1372 0.341,1373 89.438,1374 0.225,1375 26.797,1376 0.597,1377 142,1378 419.948,1379 181.977,1380 468.108,1381 616.14,1382 432,1383 165,1384 409.741,1385 194.863,1386 435.674,1387 634.42,1388 410,1389 5.6}
{0 CHEMBL1966808,1 1.733,2 8.391,3 2.887,4 8.333,5 86.049,6 8.984,7 0.593,8 3.753,9 3.858,10 3.545,11 3.387,12 4.864,13 3.362,14 4.298,15 4.442,16 3.993,17 3.832,18 5.41,19 3.781,20 4.507,21 4.693,22 4.011,23 3.924,24 5.575,25 3.839,26 4.465,27 4.646,28 3.997,29 3.817,30 5.583,31 3.751,32 4.299,33 4.497,34 3.751,35 3.614,36 5.386,37 3.575,38 4.218,39 4.416,40 3.571,41 3.529,42 5.321,43 3.493,44 4.191,45 4.375,46 3.462,47 3.461,48 5.404,49 3.391,50 3.949,51 4.126,52 3.17,53 3.272,54 5.122,55 3.134,56 0.067,57 0.611,58 5.415,59 3.05,60 4.98,61 3.35,62 0.254,63 1.041,64 11.994,65 5.597,66 16.653,67 6.546,68 0.27,69 1.21,70 21.051,71 8.265,72 27.656,73 9.343,74 0.291,75 1.197,76 21.862,77 7.496,78 24.736,79 8.123,80 0.296,81 1.027,82 15.94,83 5.17,84 20.396,85 5.508,86 0.255,87 0.892,88 11.928,89 4.45,90 19.672,91 4.985,92 0.303,93 0.791,94 12.998,95 5.049,96 40.531,97 5.1,98 0.287,99 0.631,100 12.389,101 4.743,102 38.011,103 4.737,104 2,105 40,106 0.309,107 0.703,108 0.792,109 0.822,110 0.842,111 0.842,112 3.191,113 0.94,114 -4.28,115 -4.22,116 -3.98,119 44.4,121 4,142 2,143 3,145 2,149 1,152 1,153 1,159 1,161 1,166 1,172 7,174 3,175 6,178 2,180 2,183 9,187 1,188 9,191 1,193 1,196 6,199 1,200 9,203 1,205 2,208 3,212 2,213 8,218 3,221 3,224 1,225 8,230 2,233 4,238 4,246 6,249 1,250 1,253 1,258 5,264 2,272 2,276 632,277 16.085,278 16.085,279 16.085,280 16.085,281 16.085,282 14.151,283 15.889,284 9.406,285 16.512,286 13.392,287 13.392,288 13.392,289 13.392,290 13.392,291 10.275,292 20.315,293 4.519,294 14.111,295 3.437,296 1.222,297 0.722,298 0.556,299 0.444,300 0.444,301 3.909,304 1,305 1,306 1,307 444,308 2.121,311 57.413,312 128.377,315 162.162,318 69.921,319 1.278,320 19.782,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 49.5,332 193,333 4.727,334 3.74,335 7.067,336 4.329,337 3.381,338 4.474,339 1.629,340 12.229,341 3.205,342 4.314,343 3.3,344 6.404,345 3.894,346 2.943,347 3.979,348 0.142,349 9.872,350 2.805,351 3.98,352 2.901,353 6.034,354 3.604,355 2.632,356 3.481,358 8.611,359 2.549,360 3.48,361 2.501,362 5.55,363 3.071,364 2.117,365 2.768,367 6.848,368 2.031,369 3.378,370 2.265,371 5.315,372 3.032,373 2.089,374 2.599,376 6.514,377 1.931,378 3.148,379 1.931,380 4.631,381 2.658,382 1.741,383 2.382,385 4.647,386 1.581,387 2.795,388 1.67,389 4.358,390 2.417,391 1.474,392 1.876,394 3.949,395 1.373,396 2.5,397 1.407,398 3.775,399 2.327,400 1.341,401 1.5,403 2.96,404 1.317,405 2.476,406 1.24,407 3.615,408 1.986,409 1.044,410 1.468,412 2.62,413 0.983,414 2.435,415 1.033,416 3.5,417 1.984,418 1,419 1.425,421 2.178,422 0.979,423 2.268,424 1,425 3.369,426 1.727,427 0.763,428 1.104,430 2.136,431 0.726,432 1.69,433 0.51,434 3.247,435 1.371,436 0.447,437 0.547,439 1.208,440 0.406,441 1.107,442 0.41,443 2.758,444 0.71,445 -0.248,446 -0.307,448 -0.667,449 -0.232,450 0.754,451 -0.434,452 2.526,453 0.309,454 -0.665,455 -0.831,457 -1.54,458 -0.642,459 0.5,460 -0.612,461 2.4,462 0.17,463 -0.756,464 -0.908,466 -2.062,467 -0.682,468 11.167,469 0.486,470 0.534,471 0.023,472 32,473 1.391,474 16,475 0.696,476 16,477 0.696,478 18.087,479 0.786,480 23.033,481 0.64,482 19.551,483 0.85,484 5.703,485 0.248,486 5.606,487 0.244,488 0.03,490 0.394,496 0.685,497 1.12,498 0.645,499 0.83,500 0.504,501 0.78,502 0.459,503 0.985,504 0.717,505 0.879,506 0.479,507 0.862,508 0.773,509 1.071,510 1.017,511 1.055,512 0.727,513 0.921,514 0.858,515 1.345,516 1.177,517 1.352,518 0.799,519 1.062,520 1.286,521 1.027,522 1.071,523 0.937,524 0.921,525 0.889,526 1.402,527 0.844,528 0.854,529 0.739,530 1.127,531 0.912,532 2.024,533 0.831,534 1.065,535 0.836,536 2.595,537 1.029,538 1.632,539 0.848,540 1.527,541 1.179,542 2.308,543 1.28,544 3.5,545 0.016,546 2.444,547 1.889,548 1.334,549 0.869,550 0.483,551 0.258,552 0.079,553 0.027,554 5682,555 15135,556 2.274,557 36.1,558 6,559 2,561 2,562 1,563 2,567 1.662,568 2.19,569 3.057,570 -0.241,571 1,572 1,574 1,577 62.402,578 1.733,579 3.948,580 4.448,581 4.614,582 4.725,583 4.725,584 2.525,585 4.056,586 4.495,587 3.153,588 797.609,589 7.765,590 8525.64,591 1,592 1,593 1,594 1,595 186.117,596 1.192,597 4.481,598 0.13,599 0.004,600 0.061,601 0.047,602 0.036,603 0.028,604 0.018,605 0.012,606 0.005,607 0.003,608 0.344,609 0.33,610 0.88,611 0.393,612 104.395,613 0.007,614 -0.053,615 0.065,616 0.032,617 0.013,618 0.032,619 0.314,620 0.057,621 0.126,622 0.043,623 0.127,624 0.017,625 0.086,626 -0.095,627 0.067,628 0.012,629 0.107,630 0.079,631 0.116,632 -0.317,633 -0.006,634 -0.259,635 0.099,636 -0.097,637 -0.187,638 0.057,639 -0.113,640 -0.026,641 -0.06,642 -0.008,643 -0.276,644 0.173,645 -0.128,646 0.038,647 -0.081,648 -0.043,649 -0.467,650 0.087,651 -0.194,652 0.061,653 -0.395,654 -0.106,655 -0.243,656 0.081,657 -0.396,658 -0.084,659 -0.334,660 -0.293,661 1.904,662 5.349,663 0.957,664 16.628,665 1.012,666 1.119,667 3.051,668 9.306,669 0.727,670 3.332,671 3.714,672 4.094,673 4.477,674 4.779,675 4.984,676 5.209,677 5.421,678 5.501,679 5.606,680 4.94,681 0.698,682 323.41,683 3.332,684 4.905,685 5.808,686 6.732,687 7.657,688 8.592,689 9.526,690 10.466,691 11.405,692 12.348,693 13.9,700 1,701 1,703 3,709 4,710 3,713 1,714 7,715 1,716 16,735 36,737 17,739 27,741 40,742 16,743 11,746 1,748 5,749 11,753 1,757 4,760 4,762 12,763 4,767 1,772 1,776 1,779 1,780 1,783 13,784 5,785 1,786 7,787 1,792 5,797 0.4,798 1,809 1,815 2,816 3,819 3,822 1,843 2,845 1,851 23,858 4,860 1,869 1,871 1,874 2.8,877 1,881 10.5,882 6.717,883 4.861,884 2.375,886 3.047,887 1.38,888 1.087,889 2.89,890 11.055,891 3.611,892 4.263,893 4.934,894 5.607,895 6.117,896 6.57,897 7.048,898 7.498,899 7.867,900 8.212,901 0.833,902 40,903 8.516,905 3.827,906 7.659,907 16.479,909 14.439,911 2.159,912 49.667,916 141.253,917 99.24,918 70.021,920 25.145,922 31.278,923 67.962,924 166.398,925 70.021,927 28.149,928 18.952,929 101.249,930 32.686,931 5.634,932 148.989,934 141.253,935 137.983,936 25.145,937 31.278,939 143.581,940 25.145,943 51.278,944 34.143,945 50.234,946 31.278,947 141.253,948 95.166,949 99.24,952 141.253,953 62.192,954 38.824,955 18.011,956 75.379,957 141.253,958 95.166,959 99.24,961 0.59,962 0.359,963 0.213,964 0.122,965 24,966 9,967 0.025,968 1,969 3,970 1.273,971 3.546,972 209.23,973 0.273,974 22,975 100.042,977 1,981 13.381,982 4.967,983 1.978,985 93.39,986 7.104,987 13.076,990 1.687,991 6.784,992 1.389,993 18.011,994 335.659,995 36,1000 12.349,1004 -0.237,1007 36.447,1008 40.282,1009 0.335,1010 0.764,1011 0.86,1012 0.893,1013 0.914,1014 0.914,1015 4.875,1016 1.341,1017 5.808,1018 3.949,1019 4.394,1020 4.949,1021 1.701,1022 6.701,1023 4.292,1024 6.098,1025 1.044,1026 7.407,1027 2.96,1028 4.007,1029 4.796,1030 1.195,1031 7.722,1032 3.858,1033 7.429,1034 1,1035 9.109,1036 2.62,1037 6.052,1038 7.191,1039 2.344,1040 10.911,1041 5.852,1042 8.8,1043 0.763,1044 10.874,1045 2.178,1046 6.538,1047 7.924,1048 2.262,1049 12.802,1050 6.287,1051 10.209,1052 0.447,1053 12.679,1054 2.136,1055 8.039,1056 9.758,1057 3.143,1058 15.506,1059 7.742,1060 11.644,1061 -0.248,1062 14.512,1063 1.208,1064 8.921,1065 10.892,1066 3.301,1067 17.748,1068 8.568,1069 13.1,1070 -0.665,1071 16.366,1072 -0.667,1073 10.218,1074 12.507,1075 4.023,1076 20.3,1077 9.819,1078 3.381,1079 -0.756,1080 18.235,1081 -1.54,1082 11.279,1083 13.826,1084 4.321,1085 22.689,1086 10.821,1087 2.943,1088 12.229,1089 20.116,1090 -2.062,1091 12.503,1092 15.354,1093 4.946,1094 25.195,1095 11.996,1096 2.632,1097 9.872,1098 22.007,1099 4.474,1100 13.642,1101 16.759,1102 5.326,1103 27.645,1104 13.077,1105 2.117,1106 8.611,1107 23.906,1108 3.979,1109 14.845,1110 18.255,1111 5.892,1112 30.14,1113 14.228,1114 2.089,1115 6.848,1116 25.813,1117 3.481,1118 16.019,1119 19.7,1120 6.319,1121 32.616,1122 15.345,1123 1.741,1124 6.514,1125 27.725,1126 2.768,1127 17.218,1128 21.185,1129 6.852,1130 35.111,1131 16.492,1132 1.474,1133 4.647,1134 29.642,1135 2.599,1136 18.409,1137 22.65,1138 7.305,1139 37.6,1140 17.627,1141 5169,1142 8606,1143 18.898,1144 26.176,1145 42.382,1146 43.042,1147 42.617,1148 41.957,1149 41.942,1150 55.208,1151 3.542,1152 127.541,1153 39.773,1154 5.672,1155 5.74,1156 6.869,1157 5.473,1158 5.381,1159 7.474,1160 2.86,1161 19.85,1162 5.205,1163 5.664,1164 1.57,1165 1.594,1166 1.578,1167 1.554,1168 1.553,1169 2.045,1170 0.131,1171 4.724,1172 1.473,1173 4.111,1174 4.145,1175 4.309,1176 4.057,1177 7.43,1178 4.022,1179 3.885,1180 3.921,1181 3.917,1182 3.793,1183 5.064,1184 3.795,1185 3.713,1186 3.772,1187 3.669,1188 3.515,1189 4.829,1190 3.54,1191 3.36,1192 3.409,1193 3.431,1194 3.262,1195 4.542,1196 3.222,1197 3.153,1198 3.187,1199 3.128,1200 2.922,1201 4.021,1202 2.93,1203 3.057,1204 3.14,1205 2.919,1206 2.86,1207 3.709,1208 2.877,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.674,1214 2.715,1215 2.664,1216 2.737,1217 2.614,1218 2.482,1219 3.668,1220 2.489,1221 0.175,1222 0.139,1223 0.262,1224 0.16,1225 0.125,1226 4.727,1227 0.166,1228 3.74,1229 0.06,1230 7.067,1231 0.453,1232 4.329,1233 0.119,1234 3.381,1235 4.474,1236 1.629,1237 12.229,1238 3.205,1239 1.861,1240 1.825,1241 2.032,1242 1.983,1243 1.396,1244 1.997,1245 1.836,1246 1.8,1247 1.939,1248 1.965,1249 0.978,1250 1.959,1251 1.661,1252 1.632,1253 1.68,1254 1.87,1255 0.91,1256 1.838,1257 1.174,1258 1.12,1259 1.427,1260 1.423,1261 0.695,1262 1.399,1263 1.136,1264 1.105,1265 1.258,1266 1.304,1267 0.548,1268 1.332,1269 1.033,1270 0.968,1271 1.181,1272 1.204,1273 0.218,1274 1.23,1275 0.886,1276 0.821,1277 1.147,1278 1.063,1279 0.111,1280 1.107,1281 0.814,1282 0.773,1283 0.867,1284 1.062,1285 0.024,1286 1.034,1287 4.007,1289 5.371,1290 3.045,1291 6.94,1292 5.476,1293 8.606,1294 7.67,1295 10.324,1303 4.549,1305 2.966,1314 25.116,1315 62.402,1316 142.117,1317 160.117,1318 166.117,1319 170.117,1320 170.117,1321 27.464,1322 8.008,1323 75.94,1324 104.18,1325 28,1326 12.842,1327 4.17,1328 3.322,1329 28.459,1330 68,1331 71,1332 0.213,1333 152.96,1334 252.04,1335 364.983,1336 31840,1338 15.389,1339 0.669,1340 0.568,1341 15.742,1342 13.06,1343 11.31,1344 0.419,1345 0.313,1346 7.621,1347 10.461,1348 7.444,1349 6.093,1350 11.718,1351 8.464,1352 10.452,1353 0.261,1354 0.171,1355 11.094,1356 6.857,1357 9.528,1358 0.161,1359 0.094,1360 10.304,1361 5.561,1362 8.736,1363 0.1,1364 0.052,1365 9.72,1366 4.554,1367 7.453,1368 0.063,1369 0.029,1370 8.383,1371 3.451,1372 0.318,1373 74.78,1374 0.23,1375 21.917,1376 0.632,1377 134,1378 379.509,1379 172.967,1380 390.701,1381 552.85,1382 368,1383 166,1384 414.433,1385 203.45,1386 431.445,1387 647.54,1388 409,1389 5.1}
{0 CHEMBL1966816,1 1.894,2 9.76,3 3.674,4 13.498,5 80.387,6 10.009,7 0.63,8 3.717,9 3.818,10 3.492,11 3.229,12 5.086,13 3.291,14 4.217,15 4.337,16 3.96,17 3.565,18 6.115,19 3.631,20 4.402,21 4.574,22 3.944,23 3.631,24 5.963,25 3.688,26 4.38,27 4.556,28 3.866,29 3.524,30 5.931,31 3.597,32 4.343,33 4.527,34 3.759,35 3.394,36 5.963,37 3.469,38 4.226,39 4.427,40 3.514,41 3.231,42 5.749,43 3.296,44 4.028,45 4.195,46 3.599,47 3.149,48 6.07,49 3.211,50 3.884,51 4.064,52 3.302,53 3.174,54 5.281,55 3.189,56 0.304,57 0.859,58 2.913,59 2.868,60 45.423,61 2.401,62 0.936,63 1.608,64 6.481,65 4.802,66 145.023,67 4.178,68 0.861,69 1.409,70 11.258,71 5.216,72 103.883,73 5.102,74 0.907,75 1.378,76 11.708,77 5.658,78 125.483,79 5.227,80 1.005,81 1.176,82 12.524,83 4.989,84 123.181,85 4.485,86 1.001,87 0.931,88 13.949,89 4.861,90 160.073,91 4.359,92 0.94,93 0.797,94 9.645,95 3.516,96 150.809,97 3.696,98 0.57,99 0.854,100 7.686,101 3.81,102 88.449,103 3.521,104 27,105 39,106 0.342,107 0.645,108 0.769,109 0.881,110 0.901,111 0.901,112 3.267,113 0.778,114 -4.37,115 -4.3,116 -4.06,119 45.7,132 1,142 7,143 1,144 2,145 1,146 2,147 1,159 1,172 5,175 4,178 3,179 1,180 3,183 4,188 3,193 2,196 2,199 1,200 4,203 2,205 5,208 1,213 2,218 3,221 1,224 1,225 4,228 1,230 2,233 2,238 2,243 1,246 3,249 1,250 2,258 4,264 2,272 3,276 854,277 16.264,278 16.264,279 16.264,280 16.264,281 16.264,282 14.093,283 17.805,284 9.446,285 16.778,286 13.34,287 13.34,288 13.34,289 13.34,290 13.34,291 10.081,292 25.064,293 4.471,294 14.284,295 3.235,296 1.554,297 0.869,298 0.25,299 0.136,300 0.136,301 3.944,304 1,305 1,306 1,307 517,308 3.742,312 213.221,316 110.911,319 1.488,320 51.654,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 59,332 244,333 4.575,334 4.46,335 7.116,336 4.168,337 3.32,338 4.528,339 3.825,340 11.69,341 3.031,342 4.453,343 3.571,344 6.669,345 4.093,346 3.121,347 3.869,348 1.656,349 10.72,350 2.835,351 3.908,352 3.241,353 5.7,354 3.555,355 2.615,356 3.258,357 0.247,358 7.706,359 2.441,360 3.738,361 2.664,362 5.476,363 3.314,364 2.376,365 3.112,367 7.222,368 2.211,369 3.417,370 2.567,371 4.886,372 2.973,373 2.004,374 2.635,376 5.552,377 1.916,378 3.118,379 1.845,380 4.497,381 2.587,382 1.618,383 2.427,385 4.361,386 1.566,387 2.895,388 1.731,389 4.313,390 2.456,391 1.523,392 2.037,394 3.817,395 1.402,396 2.832,397 1.618,398 4.081,399 2.348,400 1.376,401 1.959,403 3.748,404 1.325,405 2.572,406 1.2,407 3.49,408 2.074,409 1.123,410 1.602,412 2.542,413 1.057,414 2.559,415 1.189,416 3.441,417 2.055,418 1.102,419 1.575,421 2.429,422 1.038,423 1.444,424 0.686,425 2.954,426 1.06,427 0.136,428 0.166,430 0.351,431 0.124,432 1.182,433 0.51,434 2.724,435 0.785,436 -0.173,437 -0.22,439 -0.434,440 -0.161,441 0.98,442 0.51,443 2.464,444 0.539,445 -0.419,446 -0.556,448 -0.976,449 -0.392,450 0.882,451 0.41,452 2.365,453 0.36,454 -0.618,455 -0.927,457 -1.594,458 -0.603,459 0.671,460 0.096,461 2.276,462 0.212,463 -0.741,464 -0.973,466 -1.965,467 -0.699,468 11.076,469 0.443,470 0.83,471 0.033,472 35.25,473 1.41,474 18.5,475 0.74,476 16.75,477 0.67,478 15.788,479 0.632,480 27.324,481 0.781,482 28.696,483 1.148,484 7.402,485 0.296,486 4.44,487 0.178,488 0.133,489 0.045,490 0.316,493 3,494 1,496 0.622,497 0.948,498 0.549,499 0.953,500 0.606,501 0.803,502 0.443,503 0.809,504 0.612,505 1.016,506 0.447,507 1.003,508 0.726,509 0.804,510 0.849,511 0.924,512 0.688,513 0.956,514 0.983,515 1.068,516 0.992,517 1.125,518 0.926,519 1.088,520 1.069,521 0.874,522 1.165,523 1.024,524 1.109,525 1.1,526 1.285,527 0.884,528 1.293,529 0.87,530 1.336,531 0.972,532 0.446,533 0.542,534 0.718,535 0.672,536 0.508,537 0.821,538 0.949,539 0.859,540 1.098,541 0.877,542 0.934,543 1,544 6.5,545 0.178,546 3.111,547 2.125,548 1.427,549 0.799,550 0.569,551 0.203,552 0.23,553 0.217,554 6987,555 31136,556 2.005,557 28.6,559 7,561 1,562 2,567 1.679,568 1.84,569 3.283,570 0.391,572 1,574 1,577 66.306,578 1.894,579 3.575,580 4.261,581 4.879,582 4.993,583 4.993,584 2.661,585 4.294,586 4.622,587 3.468,588 1040.46,589 7.98,590 12783.5,591 1,592 1,593 1,594 1,595 179.525,596 1.673,597 4.546,598 0.241,599 0.009,600 0.08,601 0.054,602 0.041,603 0.027,604 0.024,605 0.008,606 0.011,607 0.01,608 0.504,609 0.33,610 1,611 0.836,612 120.95,613 -0.072,614 -0.093,615 -0.009,616 -0.013,617 -0.094,618 0.029,619 0.354,620 0.175,621 0.082,622 -0.065,623 0.325,624 -0.168,625 -0.005,626 -0.007,627 0.008,628 -0.022,629 0.006,630 -0.011,631 -0.135,632 -0.196,633 -0.056,634 -0.189,635 -0.091,636 -0.114,637 -0.125,638 -0.009,639 -0.164,640 -0.103,641 -0.15,642 -0.136,643 -0.281,644 -0.047,645 -0.179,646 0.082,647 -0.284,648 0.075,649 0.488,650 0.269,651 0.276,652 0.25,653 0.47,654 0.145,655 -0.152,656 0.037,657 -0.181,658 0.12,659 -0.163,660 0.036,661 5.868,662 5.699,663 0.64,664 18.806,665 1.063,666 1.161,667 3.14,668 9.858,669 0.687,670 3.332,671 3.689,672 3.892,673 4.127,674 4.331,675 4.29,676 4.394,677 4.331,678 4.443,679 4.357,680 6.163,681 0.713,682 350.3,683 3.332,684 4.89,685 5.727,686 6.616,687 7.471,688 8.358,689 9.221,690 10.105,691 10.971,692 11.853,693 11.4,700 2,703 2,708 2,709 8,710 2,714 4,716 17,734 1,735 35,737 18,738 1,739 27,741 37,742 16,743 14,744 3,745 3,748 3,749 4,753 1,754 1,759 1,762 15,763 1,767 1,772 1,776 1,779 1,780 1,781 4,783 10,784 9,785 2,786 9,792 4,797 0.667,798 1,809 2,816 3,820 1,843 2,849 4,851 25,860 2,865 1,873 4,874 2.9,877 1,881 13.583,882 6.305,883 5.333,884 1.873,886 3.369,887 1.475,888 1.011,889 4.452,890 10.458,891 3.624,892 4.263,893 4.832,894 5.435,895 5.985,896 6.165,897 6.518,898 6.747,899 7.087,900 6.961,901 1,902 39,903 9.772,905 4.802,906 8.657,907 16.185,909 12.956,911 3.157,912 78.917,916 94.169,917 109.096,918 69.593,920 25.145,921 59.84,923 109.096,924 119.314,925 129.433,927 36.022,928 66.334,929 70.487,930 73.279,931 21.564,932 82.398,933 7.76,934 94.169,935 178.689,936 84.985,939 109.129,940 70.025,943 57.729,944 87.388,945 33.571,947 154.009,948 94.737,949 109.096,952 101.928,953 25.955,954 75.381,955 36.022,956 118.556,957 94.169,958 154.578,959 109.096,961 0.595,962 0.333,963 0.175,964 0.096,965 19,966 9,967 0.054,968 2,969 1,970 1.125,971 3.62,972 203.126,973 0.125,974 16,975 111.342,981 16.969,982 6.559,983 3.797,984 0.423,985 154.578,986 10.139,987 7.22,991 -1.686,993 36.022,994 357.843,995 36.5,1000 12.014,1004 -0.816,1007 37.203,1008 40.637,1009 0.369,1010 0.697,1011 0.831,1012 0.951,1013 0.974,1014 0.974,1015 4.869,1016 1.376,1017 5.765,1018 3.817,1019 4.369,1020 4.949,1021 3.244,1022 6.616,1023 4.237,1024 6.117,1025 1.123,1026 7.361,1027 3.748,1028 4.205,1029 4.879,1030 3.949,1031 7.803,1032 3.891,1033 7.451,1034 1.102,1035 9.07,1036 2.542,1037 6.057,1038 7.206,1039 5.464,1040 10.809,1041 5.766,1042 8.821,1043 0.136,1044 10.847,1045 2.429,1046 6.661,1047 7.911,1048 6.701,1049 12.784,1050 6.177,1051 10.221,1052 -0.173,1053 12.668,1054 0.351,1055 8.072,1056 9.774,1057 8.065,1058 15.392,1059 7.587,1060 11.642,1061 -0.419,1062 14.519,1063 -0.434,1064 9.006,1065 10.869,1066 9.391,1067 17.655,1068 8.353,1069 13.081,1070 -0.618,1071 16.392,1072 -0.976,1073 10.26,1074 12.526,1075 10.736,1076 20.144,1077 9.569,1078 3.32,1079 -0.741,1080 18.281,1081 -1.594,1082 11.333,1083 13.823,1084 12.075,1085 22.514,1086 10.504,1087 3.121,1088 11.69,1089 20.183,1090 -1.965,1091 12.532,1092 15.388,1093 13.417,1094 24.966,1095 11.64,1096 2.615,1097 10.72,1098 22.094,1099 4.528,1100 13.665,1101 16.787,1102 14.758,1103 27.377,1104 12.655,1105 2.376,1106 7.706,1107 24.013,1108 3.869,1109 14.847,1110 18.312,1111 16.1,1112 29.819,1113 13.759,1114 2.004,1115 7.222,1116 25.937,1117 3.258,1118 16.006,1119 19.763,1120 17.441,1121 32.247,1122 14.813,1123 1.618,1124 5.552,1125 27.866,1126 3.112,1127 17.185,1128 21.273,1129 18.783,1130 34.687,1131 15.906,1132 1.523,1133 4.361,1134 29.799,1135 2.635,1136 18.356,1137 22.75,1138 20.124,1139 37.123,1140 16.979,1141 6856,1142 14634,1143 17.394,1144 24.034,1145 41.281,1146 41.289,1147 41.69,1148 40.834,1149 40.627,1150 54.338,1151 11.457,1152 120.275,1153 37.895,1154 5.448,1155 6.46,1156 6.662,1157 5.229,1158 5.32,1159 7.528,1160 5.335,1161 18.813,1162 5.031,1163 14.193,1164 1.529,1165 1.529,1166 1.544,1167 1.512,1168 1.505,1169 2.013,1170 0.424,1171 4.455,1172 1.404,1173 4.077,1174 4.105,1175 4.049,1176 3.994,1177 8.513,1178 4.003,1179 3.909,1180 3.949,1181 3.88,1182 3.773,1183 8.201,1184 3.79,1185 3.542,1186 3.587,1187 3.503,1188 3.38,1189 7.999,1190 3.39,1191 3.392,1192 3.44,1193 3.356,1194 3.127,1195 7.999,1196 3.181,1197 3.262,1198 3.31,1199 3.227,1200 2.963,1201 7.431,1202 3.018,1203 3.01,1204 3.063,1205 2.96,1206 2.824,1207 4.943,1208 2.849,1209 2.765,1210 2.84,1211 2.666,1212 2.576,1213 4.838,1214 2.572,1215 2.66,1216 2.715,1217 2.539,1218 2.526,1219 4.351,1220 2.542,1221 0.169,1222 0.165,1223 0.264,1224 0.154,1225 0.123,1226 4.575,1227 0.168,1228 4.46,1229 0.142,1230 7.116,1231 0.433,1232 4.168,1233 0.112,1234 3.32,1235 4.528,1236 3.825,1237 11.69,1238 3.031,1239 2.026,1240 2.003,1241 2.088,1242 2.126,1243 1.206,1244 2.115,1245 1.838,1246 1.802,1247 1.929,1248 1.995,1249 0.968,1250 1.973,1251 1.476,1252 1.434,1253 1.629,1254 1.679,1255 0.657,1256 1.65,1257 1.25,1258 1.204,1259 1.374,1260 1.529,1261 0.328,1262 1.496,1263 1.062,1264 1.022,1265 1.16,1266 1.401,1267 0.185,1268 1.316,1269 0.926,1270 0.881,1271 1.085,1272 1.153,1273 0.093,1274 1.133,1275 0.7,1276 0.642,1277 0.929,1278 0.969,1279 0.029,1280 0.961,1281 0.663,1282 0.606,1283 0.894,1284 0.828,1286 0.859,1287 4.007,1289 5.352,1291 6.887,1293 8.508,1295 10.174,1299 51.593,1305 4.648,1310 -4.618,1314 24.968,1315 66.306,1316 125.119,1317 149.119,1318 170.77,1319 174.77,1320 174.77,1321 62.436,1322 7.089,1323 66.91,1324 66.91,1325 18,1326 12.391,1327 4.248,1328 3.392,1329 41.877,1330 94,1331 70,1332 0.22,1333 151.687,1334 268.89,1335 361.877,1336 11405,1337 11.4,1338 18.027,1339 0.721,1340 0.497,1341 14.656,1342 12.433,1343 11.842,1344 0.439,1345 0.259,1346 6.819,1347 11.113,1348 6.79,1349 5.567,1350 10.22,1351 6.999,1352 11.599,1353 0.297,1354 0.128,1355 9.114,1356 4.979,1357 8.644,1358 0.18,1359 0.068,1360 7.209,1361 3.251,1362 7.206,1363 0.118,1364 0.036,1365 6.32,1366 2.181,1367 5.816,1368 0.078,1369 0.019,1370 4.925,1371 1.406,1372 0.346,1373 76.426,1374 0.24,1375 24.24,1376 0.598,1377 132,1378 690.136,1379 163.166,1380 558.101,1381 715.78,1382 514,1383 153,1384 494.758,1385 177.177,1386 473.096,1387 711.29,1388 444,1389 6.8}
{0 CHEMBL1966842,1 1.592,2 15.814,3 6.448,4 41.573,5 170.744,6 7.97,7 0.688,8 4.409,9 4.525,10 4.071,11 3.992,12 5.537,13 3.964,14 4.912,15 5.078,16 4.432,17 4.365,18 5.997,19 4.324,20 5.092,21 5.267,22 4.437,23 4.486,24 6.153,25 4.417,26 5.221,27 5.453,28 4.462,29 4.493,30 6.229,31 4.421,32 5.197,33 5.389,34 4.565,35 4.545,36 6.318,37 4.481,38 5.269,39 5.484,40 4.562,41 4.577,42 6.311,43 4.492,44 5.209,45 5.412,46 4.506,47 4.526,48 6.27,49 4.446,50 5.209,51 5.424,52 4.408,53 4.5,54 6.204,55 4.41,56 0.022,57 1.125,58 14.023,59 6.419,60 10.142,61 7.955,62 0.375,63 1.83,64 28.373,65 10.425,66 30.182,67 13.235,68 0.289,69 2.092,70 32.597,71 13.074,72 39.857,73 16.677,74 0.338,75 2.297,76 41.173,77 15.08,78 48.863,79 20.288,80 0.534,81 2.353,82 38.156,83 13.793,84 59.667,85 17.661,86 0.487,87 2.465,88 46.052,89 16.498,90 58.15,91 20.92,92 0.529,93 2.39,94 41.832,95 14.047,96 59.495,97 18.105,98 0.507,99 2.266,100 42.762,101 15.237,102 47.701,103 19.475,104 22,105 67,106 0.241,107 0.579,108 0.759,109 0.854,110 0.872,111 0.872,112 3.788,113 0.917,114 -4.76,115 -4.68,116 -4.39,119 44.6,121 1,124 3,125 1,142 13,143 3,144 3,145 1,146 2,150 1,151 2,152 1,158 1,162 1,172 14,174 2,175 8,178 3,180 4,183 14,187 1,188 9,191 1,193 5,196 8,199 1,200 13,205 5,208 5,212 3,213 13,216 3,218 2,221 9,224 2,225 7,228 2,230 2,233 10,237 3,238 7,241 1,243 5,246 13,249 2,250 6,255 1,258 10,263 2,264 12,267 1,268 1,269 1,272 11,276 4449,277 29.488,278 29.488,279 29.488,280 29.488,281 29.488,282 25.509,283 29.512,284 17.565,285 30.343,286 23.751,287 23.751,288 23.751,289 23.751,290 23.751,291 17.695,292 45.903,293 8.362,294 25.065,295 4.618,296 2.391,297 1.204,298 0.581,299 0.463,300 0.463,301 4.501,306 1,307 1485,308 4.123,311 205.552,312 537.459,314 167.231,319 2.693,320 29.793,323 0.75,324 0.33,325 0.67,326 0.5,328 0.83,329 1,330 0.58,331 91.5,332 680,333 4.738,334 3.628,335 7.021,336 4.268,337 3.327,338 4.68,339 1.987,340 12.063,341 3.145,342 4.295,343 3.328,344 6.203,345 3.9,346 2.942,347 3.935,348 0.916,349 9.313,350 2.821,351 4.127,352 3.172,353 6.027,354 3.733,355 2.755,356 3.752,357 0.86,358 8.633,359 2.695,360 4.027,361 2.818,362 5.794,363 3.589,364 2.61,365 3.655,366 0.4,367 8.01,368 2.57,369 3.954,370 2.73,371 5.554,372 3.518,373 2.59,374 3.475,375 0.324,376 7.559,377 2.384,378 3.696,379 2.657,380 5.373,381 3.35,382 2.408,383 3.089,384 0.172,385 7.023,386 2.262,387 3.618,388 2.601,389 5.328,390 3.278,391 2.316,392 2.904,394 6.862,395 2.221,396 3.479,397 2.327,398 5.23,399 3.048,400 2.118,401 2.774,403 6.444,404 1.962,405 3.323,406 2.19,407 4.689,408 2.903,409 1.902,410 2.577,412 5.076,413 1.881,414 2.982,415 2.149,416 4.573,417 2.774,418 1.843,419 2.146,421 4.548,422 1.708,423 2.956,424 1.735,425 4.431,426 2.488,427 1.55,428 2.086,430 4.366,431 1.451,432 2.905,433 1.561,434 4.352,435 2.418,436 1.443,437 2.013,439 3.945,440 1.407,441 2.836,442 1.462,443 4.256,444 2.333,445 1.368,446 1.968,448 3.763,449 1.317,450 2.797,451 1.41,452 3.575,453 2.283,454 1.341,455 1.922,457 2.987,458 1.246,459 2.654,460 1.193,461 3.517,462 2.146,463 1.172,464 1.725,466 2.616,467 1.136,468 20.8,469 0.484,470 0.968,471 0.023,472 61.75,473 1.436,474 33,475 0.767,476 28.75,477 0.669,478 37.022,479 0.861,480 44,481 0.595,482 53.688,483 1.249,484 12.365,485 0.288,486 8.597,487 0.2,488 0.088,490 0.327,496 0.858,497 1.311,498 0.732,499 0.978,500 0.668,501 0.893,502 0.994,503 0.984,504 0.854,505 0.875,506 0.674,507 0.818,508 1.058,509 1.192,510 0.973,511 1.064,512 1.158,513 1.083,514 0.979,515 1.038,516 0.705,517 0.816,518 0.78,519 0.82,520 1.154,521 1.02,522 0.932,523 0.92,524 1.406,525 0.955,526 1.062,527 1.022,528 0.986,529 0.952,530 1.099,531 0.894,532 1.164,533 1.056,534 1.098,535 1.04,536 1.037,537 1.021,538 1.192,539 1.008,540 1.045,541 0.954,542 0.893,543 0.953,544 8.5,545 0.385,546 3.333,547 3.069,548 2.344,549 1.282,550 1.039,551 0.61,552 0.605,553 0.384,554 33352,555 85171,556 2.14,557 41.9,559 24,560 2,561 1,562 2,563 2,567 1.82,568 2.031,569 3.904,570 0.114,577 117.803,578 1.592,579 3.818,580 5.005,581 5.628,582 5.746,583 5.746,584 3.383,585 5.101,586 5.392,587 4.107,588 3708.46,589 9.562,590 67935.8,595 459.5,596 1.301,597 5.371,598 0.177,599 0.006,600 0.05,601 0.046,602 0.034,603 0.018,604 0.014,605 0.009,606 0.009,607 0.006,608 0.37,609 0.17,610 0.75,611 0.777,612 248.419,613 -0.037,614 -0.197,615 0.07,616 -0.038,617 -0.06,618 -0.001,619 0.067,620 0.116,621 0.073,622 0.079,623 0.06,624 0.09,625 -0.062,626 -0.154,627 -0.115,628 -0.135,629 -0.121,630 -0.153,631 0.007,632 -0.057,633 0.182,634 0.097,635 0.128,636 0.153,637 0.015,638 0.049,639 -0.012,640 0.003,641 -0.063,642 -0.042,643 0.013,644 0.002,645 0.064,646 0.056,647 0.004,648 0.076,649 -0.064,650 0.019,651 -0.093,652 -0.072,653 -0.075,654 -0.091,655 -0.077,656 -0.003,657 -0.054,658 0.023,659 -0.046,660 0.013,661 1.744,662 5.76,663 0.744,664 61.378,665 1.001,666 1.119,667 3.532,668 12.478,669 0.699,670 3.892,671 4.22,672 4.5,673 4.828,674 5.056,675 5.198,676 5.384,677 5.533,678 5.656,679 5.805,680 9.119,681 0.663,682 589.78,683 3.892,684 5.442,685 6.297,686 7.186,687 8.061,688 8.959,689 9.846,690 10.75,691 11.644,692 12.552,693 9.5,696 1,700 1,701 2,703 3,708 1,709 16,710 3,713 1,714 10,716 33,728 1,733 1,735 74,737 34,738 3,739 48,741 79,742 33,743 27,744 6,745 12,748 6,749 7,760 1,762 28,763 5,767 1,772 1,776 1,783 31,784 8,785 2,786 10,787 1,789 1,792 7,797 0.833,798 2,810 1,815 2,816 4,818 1,829 1,839 1,843 5,845 1,847 3,851 43,858 2,860 2,861 1,864 1,868 1,874 2.7,877 1,879 1,881 21.167,882 14.333,883 9.417,884 4.122,886 6.386,887 1.689,888 1.02,889 8.68,890 15.655,891 4.197,892 4.828,893 5.439,894 6.099,895 6.647,896 7.018,897 7.52,898 7.95,899 8.392,900 8.814,901 0.909,902 67,903 15.848,905 6.693,906 7.624,907 30.425,909 24.778,911 2.124,912 91.333,916 341.362,917 247.716,918 90.789,920 36.145,922 31.278,923 216.439,924 377.507,925 90.789,926 27.676,927 22.651,928 139.888,929 91.977,930 68.296,931 28.198,932 337.326,934 341.362,935 307.228,936 36.145,937 31.278,939 341.362,940 36.145,943 61.533,944 195.339,945 50.357,946 31.278,947 341.362,948 126.934,949 247.716,952 341.362,953 71.106,954 181.022,955 36.022,956 86.501,957 341.362,958 126.934,959 247.716,961 0.576,962 0.33,963 0.192,964 0.105,965 32,966 14,967 0.127,968 10,969 1,970 1.063,971 5.189,972 453.623,973 0.063,974 32,975 225.329,977 1,981 28.841,982 12.942,983 6.713,984 0.842,985 125.647,986 31.071,987 14.346,990 1.548,991 7.909,993 36.022,994 716.012,995 65.5,1000 12.76,1004 -0.078,1007 74.047,1008 82.809,1009 0.256,1010 0.615,1011 0.806,1012 0.906,1013 0.925,1014 0.925,1015 5.426,1016 2.118,1017 6.275,1018 6.862,1019 4.905,1020 5.517,1021 2.423,1022 7.086,1023 4.808,1024 6.639,1025 1.902,1026 7.824,1027 6.444,1028 4.443,1029 5.27,1030 1.668,1031 7.962,1032 4.301,1033 7.945,1034 1.843,1035 9.471,1036 5.076,1037 6.491,1038 7.742,1039 3.19,1040 11.098,1041 6.306,1042 9.287,1043 1.55,1044 11.179,1045 4.548,1046 6.858,1047 8.35,1048 3.188,1049 12.866,1050 6.616,1051 10.661,1052 1.443,1053 12.929,1054 4.366,1055 8.361,1056 10.271,1057 4.332,1058 15.528,1059 8.085,1060 12.061,1061 1.368,1062 14.71,1063 3.945,1064 9.13,1065 11.315,1066 4.658,1067 17.7,1068 8.791,1069 13.481,1070 1.341,1071 16.514,1072 3.763,1073 10.412,1074 12.998,1075 5.605,1076 20.218,1077 10.038,1078 3.327,1079 1.172,1080 18.339,1081 2.987,1082 11.385,1083 14.274,1084 6.092,1085 22.571,1086 10.945,1087 2.942,1088 12.063,1089 20.18,1090 2.616,1091 12.582,1092 15.854,1093 6.928,1094 25.053,1095 12.1,1096 2.755,1097 9.313,1098 22.036,1099 4.68,1100 13.656,1101 17.253,1102 7.501,1103 27.483,1104 13.11,1105 2.61,1106 8.633,1107 23.904,1108 3.935,1109 14.827,1110 18.794,1111 8.274,1112 29.961,1113 14.231,1114 2.59,1115 8.01,1116 25.782,1117 3.752,1118 15.953,1119 20.257,1120 8.894,1121 32.424,1122 15.294,1123 2.408,1124 7.559,1125 27.67,1126 3.655,1127 17.121,1128 21.786,1129 9.631,1130 34.905,1131 16.407,1132 2.316,1133 7.023,1134 29.567,1135 3.475,1136 18.275,1137 23.284,1138 10.279,1139 37.381,1140 17.498,1141 31093,1142 49967,1143 32.709,1144 51.733,1145 72.287,1146 72.658,1147 73.265,1148 71.112,1149 71.198,1150 96.595,1151 9.319,1152 203.95,1153 67.614,1154 5.604,1155 5.628,1156 6.823,1157 5.412,1158 5.327,1159 7.68,1160 3.497,1161 19.437,1162 5.145,1163 18.927,1164 1.506,1165 1.514,1166 1.526,1167 1.481,1168 1.483,1169 2.012,1170 0.194,1171 4.249,1172 1.409,1173 4.161,1174 4.196,1175 4.359,1176 4.068,1177 7.429,1178 4.057,1179 3.961,1180 3.993,1181 3.936,1182 3.878,1183 5.104,1184 3.875,1185 3.93,1186 3.962,1187 3.878,1188 3.855,1189 4.934,1190 3.853,1191 3.848,1192 3.88,1193 3.818,1194 3.792,1195 4.821,1196 3.777,1197 3.747,1198 3.799,1199 3.747,1200 3.612,1201 4.748,1202 3.614,1203 3.559,1204 3.641,1205 3.427,1206 3.324,1207 4.696,1208 3.334,1209 3.463,1210 3.497,1211 3.407,1212 3.276,1213 4.418,1214 3.294,1215 3.245,1216 3.314,1217 3.269,1218 3.104,1219 4.221,1220 3.081,1221 0.099,1222 0.076,1223 0.146,1224 0.089,1225 0.069,1226 4.738,1227 0.098,1228 3.628,1229 0.041,1230 7.021,1231 0.251,1232 4.268,1233 0.066,1234 3.327,1235 4.68,1236 1.987,1237 12.063,1238 3.145,1239 1.944,1240 1.917,1241 2.051,1242 2.06,1243 1.189,1244 2.05,1245 1.921,1246 1.894,1247 2.025,1248 2.029,1249 1.17,1250 2.032,1251 1.901,1252 1.875,1253 2.006,1254 1.984,1255 1.124,1256 1.994,1257 1.771,1258 1.73,1259 1.855,1260 1.927,1261 0.926,1262 1.914,1263 1.519,1264 1.44,1265 1.779,1266 1.781,1267 0.873,1268 1.784,1269 1.468,1270 1.41,1271 1.593,1272 1.696,1273 0.709,1274 1.666,1275 1.403,1276 1.371,1277 1.577,1278 1.62,1279 0.638,1280 1.603,1281 1.35,1282 1.339,1283 1.571,1284 1.507,1285 0.586,1286 1.529,1287 4.575,1289 5.9,1290 3.045,1291 7.409,1292 5.416,1293 9.008,1294 7.535,1295 10.657,1297 5.715,1303 1.094,1305 6.38,1306 5.602,1309 2.111,1314 49.088,1315 117.803,1316 282.533,1317 370.374,1318 416.48,1319 425.235,1320 425.235,1321 66.313,1322 9.269,1323 96.68,1324 124.92,1325 34,1326 13.072,1327 5.129,1328 4.209,1329 63.721,1330 227,1331 269,1332 0.13,1333 302.802,1334 510.75,1335 730.598,1336 185153,1338 29.761,1339 0.692,1340 0.58,1341 30.114,1342 24.929,1343 20.962,1344 0.437,1345 0.306,1346 13.663,1347 19.758,1348 13.158,1349 11.005,1350 21.416,1351 14.664,1352 18.971,1353 0.283,1354 0.167,1355 19.554,1356 11.192,1357 15.488,1358 0.174,1359 0.085,1360 16.112,1361 7.553,1362 13.943,1363 0.112,1364 0.046,1365 14.65,1366 5.664,1367 11.052,1368 0.071,1369 0.024,1370 11.666,1371 3.69,1372 0.207,1373 135.411,1374 0.175,1375 38.153,1376 0.352,1377 230,1378 641.223,1379 272.809,1380 650.332,1381 905.23,1382 612,1383 271,1384 665.469,1385 310.233,1386 696.523,1387 1017.43,1388 651,1389 7.3}
{0 CHEMBL1967094,1 1.727,2 11.48,3 4.752,4 22.585,5 102.768,6 9.433,7 0.75,8 3.789,9 3.884,10 3.607,11 3.494,12 4.959,13 3.445,14 4.259,15 4.374,16 4.016,17 3.891,18 5.427,19 3.817,20 4.458,21 4.617,22 4.015,23 3.914,24 5.577,25 3.815,26 4.443,27 4.637,28 3.769,29 3.776,30 5.547,31 3.674,32 4.344,33 4.546,34 3.783,35 3.724,36 5.479,37 3.619,38 4.252,39 4.422,40 3.761,41 3.671,42 5.455,43 3.551,44 4.066,45 4.211,46 3.583,47 3.534,48 5.272,49 3.413,50 3.97,51 4.127,52 3.488,53 3.379,54 5.254,55 3.291,56 0.063,57 0.541,58 5.079,59 3.081,60 6.133,61 3.524,62 0.127,63 0.866,64 9.921,65 5.324,66 12.98,67 6.11,68 0.182,69 1.033,70 19.743,71 7.745,72 23.566,73 8.836,74 0.264,75 1.047,76 20.924,77 7.617,78 34.993,79 8.164,80 0.238,81 0.981,82 18.16,83 7.177,84 28.051,85 8.152,86 0.3,87 0.853,88 18.803,89 6.732,90 32.663,91 7.021,92 0.19,93 0.718,94 16.087,95 5.822,96 26.267,97 5.306,98 0.221,99 0.639,100 13.381,101 4.897,102 30.987,103 4.775,104 5,105 39,106 0.301,107 0.606,108 0.715,109 0.828,110 0.84,111 0.84,112 3.267,113 0.96,114 -4.87,115 -4.78,116 -4.48,119 48.7,125 1,142 10,143 3,144 1,152 2,158 1,161 1,168 1,172 11,175 2,178 1,180 3,183 15,188 4,193 8,196 10,200 4,205 5,208 6,212 1,213 4,216 1,218 1,221 7,225 4,228 1,229 1,230 2,233 8,238 3,243 2,246 7,250 5,255 3,258 3,264 3,269 3,272 6,276 920,277 17.154,278 17.154,279 17.154,280 17.154,281 17.154,282 14.598,283 9.346,284 10.174,285 17.555,286 13.836,287 13.836,288 13.836,289 13.836,290 13.836,291 9.978,292 10.29,293 4.879,294 14.556,295 3.558,296 1.806,297 1.179,298 0.532,299 0.462,300 0.462,301 3.966,302 1,305 1,306 1,307 634,308 2.915,311 115.398,312 164.075,314 94.533,319 1.821,320 19.1,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 52.833,332 287,333 4.653,334 3.577,335 6.746,336 4.169,337 3.214,338 4.611,339 1.081,340 11.054,341 3.078,342 4.091,343 3.146,344 6.058,345 3.714,346 2.745,347 3.629,348 0.473,349 8.726,350 2.647,351 4.005,352 2.963,353 5.636,354 3.567,355 2.604,356 3.601,358 7.347,359 2.506,360 3.769,361 2.594,362 5.406,363 3.324,364 2.351,365 3.208,367 7.091,368 2.281,369 3.414,370 2.498,371 4.889,372 2.986,373 2.084,374 2.703,376 5.692,377 1.788,378 3.184,379 1.838,380 4.629,381 2.666,382 1.714,383 2.482,385 4.598,386 1.619,387 2.892,388 1.603,389 4.185,390 2.374,391 1.414,392 2.041,394 3.78,395 1.344,396 2.698,397 1.267,398 3.971,399 2.163,400 1.227,401 1.771,403 3.096,404 1.125,405 2.5,406 1.252,407 3.493,408 2,409 1,410 1.5,412 2.487,413 1,414 2.5,415 1.008,416 3.414,417 2,418 1,419 1.5,421 2.275,422 1,423 2.429,424 1,425 3.247,426 1.927,427 0.979,428 1.38,430 2.136,431 0.917,432 1.826,433 1,434 3.058,435 1.467,436 0.494,437 0.62,439 1.137,440 0.458,441 1.674,442 0.507,443 3.028,444 1.118,445 0.202,446 0.294,448 0.548,449 0.181,450 1.096,451 0.202,452 2.321,453 0.659,454 -0.219,455 -0.269,457 -0.466,458 -0.156,459 0.728,460 -0.201,461 2.28,462 0.266,463 -0.709,464 -0.988,466 -1.647,467 -0.688,468 12.581,469 0.503,470 0.554,471 0.022,472 35,473 1.4,474 19.5,475 0.78,476 15.5,477 0.62,478 17.975,479 0.719,480 24.619,481 0.631,482 23.144,483 0.926,484 6.949,485 0.278,486 5.255,487 0.21,488 0.083,490 0.318,496 0.635,497 0.845,498 0.595,499 0.686,500 0.559,501 0.702,502 0.648,503 1.069,504 0.719,505 0.882,506 0.591,507 0.885,508 0.866,509 1.292,510 0.974,511 1.207,512 0.915,513 1.105,514 1.353,515 1.113,516 1.054,517 1.033,518 1.397,519 1.045,520 0.823,521 0.941,522 0.793,523 0.917,524 0.805,525 0.869,526 1.18,527 0.885,528 1.2,529 1.113,530 1.442,531 1.015,532 1.617,533 1.068,534 1.476,535 1.324,536 1.837,537 1.102,538 1.27,539 1.129,540 1.155,541 1.209,542 1.389,543 1.057,544 4.5,545 0.098,546 2.889,547 1.229,548 1.153,549 0.761,550 0.429,551 0.29,552 0.186,553 0.119,554 8032,555 24710,556 2.154,557 35.9,559 12,562 2,567 1.676,568 2.055,569 3.491,570 0.273,577 67.362,578 1.727,579 3.479,580 4.107,581 4.753,582 4.824,583 4.824,584 2.953,585 4.004,586 4.613,587 3.625,588 1087.46,589 7.955,590 13404.7,592 1,595 206.131,596 1.26,597 4.592,598 0.161,599 0.007,600 0.074,601 0.034,602 0.038,603 0.025,604 0.016,605 0.013,606 0.009,607 0.007,608 0.383,609 0.17,610 1,611 0.477,612 122.064,613 -0.001,614 0.173,615 0.022,616 0.105,617 -0.058,618 0.071,619 0.058,620 -0.062,621 0.027,622 -0.01,623 0.016,624 -0.051,625 0.027,626 -0.339,627 -0.016,628 -0.23,629 -0.016,630 -0.148,631 -0.22,632 -0.091,633 -0.14,634 -0.072,635 -0.188,636 -0.082,637 0.099,638 0.103,639 0.085,640 0.098,641 0.148,642 0.127,643 0.036,644 0.138,645 -0.099,646 -0.016,647 -0.03,648 -0.038,649 -0.334,650 -0.014,651 -0.31,652 -0.14,653 -0.243,654 -0.154,655 -0.004,656 -0.105,657 -0.142,658 -0.173,659 0.113,660 -0.125,661 1.767,662 5.436,663 0.8,664 24.256,665 1.009,666 1.104,667 3.639,668 13.244,669 0.758,670 3.367,671 3.689,672 3.97,673 4.234,674 4.443,675 4.522,676 4.625,677 4.691,678 4.779,679 4.796,680 6.577,681 0.717,682 367.88,683 3.367,684 4.905,685 5.759,686 6.635,687 7.509,688 8.393,689 9.278,690 10.168,691 11.06,692 11.954,693 7.7,700 1,701 1,703 1,708 2,709 10,710 1,711 1,713 1,714 5,716 21,723 1,734 1,735 39,737 22,738 2,739 28,741 42,742 19,743 17,744 3,745 9,746 1,748 4,749 5,750 1,762 18,763 1,767 1,772 1,776 1,783 14,784 3,785 2,786 6,787 2,792 3,797 0.75,798 1,807 1,815 2,816 2,818 1,843 3,845 1,848 1,851 25,858 1,860 1,869 1,873 1,874 2.6,877 1,881 12.167,882 7.01,883 5.444,884 2.219,886 3.783,887 1.509,888 1.048,889 4.555,890 11.219,891 3.701,892 4.344,893 4.978,894 5.602,895 6.118,896 6.457,897 6.87,898 7.164,899 7.534,900 7.811,901 0.875,902 36,903 9.201,905 3.955,906 7.731,907 17.536,909 14.542,911 2.231,912 55.778,916 141.253,917 149.727,918 51.337,919 39.149,920 25.145,922 31.278,923 118.45,924 205.547,925 51.337,927 20.116,928 94.762,929 46.83,930 29.108,931 4.115,932 172.531,933 39.149,934 141.253,935 169.786,936 25.145,937 70.426,939 141.253,940 25.145,943 37.096,944 116.027,945 55.812,946 31.278,947 141.253,948 76.482,949 188.876,952 141.253,953 54.965,954 94.762,955 34.674,956 80.957,957 141.253,958 76.482,959 188.876,961 0.581,962 0.337,963 0.178,964 0.1,965 20,966 8,967 0.095,968 4,969 1,970 1.1,971 3.861,972 206.112,973 0.1,974 20,975 108.096,977 1,981 16.308,982 6.984,983 3.458,984 1.795,985 59.819,986 19.291,987 4.325,988 3.055,990 1.383,991 4.324,993 34.674,994 406.611,995 39.5,1000 12.436,1004 -0.1,1007 39.334,1008 43.06,1009 0.327,1010 0.658,1011 0.777,1012 0.899,1013 0.913,1014 0.913,1015 4.914,1016 1.227,1017 5.733,1018 3.78,1019 4.369,1020 5.03,1021 1.331,1022 6.532,1023 4.274,1024 6.133,1025 1,1026 7.281,1027 3.096,1028 3.892,1029 4.796,1031 7.402,1032 3.72,1033 7.442,1034 1,1035 8.93,1036 2.487,1037 5.948,1038 7.286,1039 1.343,1040 10.512,1041 5.775,1042 8.79,1043 0.979,1044 10.639,1045 2.275,1046 6.33,1047 7.944,1049 12.266,1050 6.087,1051 10.173,1052 0.494,1053 12.389,1054 2.136,1055 7.825,1056 9.858,1057 1.438,1058 14.886,1059 7.577,1060 11.581,1061 0.202,1062 14.168,1063 1.137,1064 8.603,1065 10.948,1067 17.006,1068 8.291,1069 13.009,1070 -0.219,1071 15.969,1072 0.548,1073 9.877,1074 12.625,1075 1.555,1076 19.471,1077 9.548,1078 3.214,1079 -0.709,1080 17.787,1081 -0.466,1082 10.846,1083 13.935,1085 21.748,1086 10.46,1087 2.745,1088 11.054,1089 19.618,1090 -1.647,1091 12.034,1092 15.514,1093 1.679,1094 24.163,1095 11.62,1096 2.604,1097 8.726,1098 21.46,1099 4.611,1100 13.097,1101 16.933,1103 26.508,1104 12.63,1105 2.351,1106 7.347,1107 23.312,1108 3.629,1109 14.254,1110 18.474,1111 1.807,1112 28.909,1113 13.752,1114 2.084,1115 7.091,1116 25.171,1117 3.601,1118 15.363,1119 19.948,1121 31.284,1122 14.811,1123 1.714,1124 5.692,1125 27.037,1126 3.208,1127 16.513,1128 21.475,1129 1.939,1130 33.683,1131 15.922,1132 1.414,1133 4.598,1134 28.908,1135 2.703,1136 17.646,1137 22.976,1139 36.071,1140 17.007,1141 7525,1142 13333,1143 19.186,1144 29.546,1145 42.594,1146 43.471,1147 43.091,1148 42.249,1149 42.056,1150 58.68,1151 3.107,1152 119.93,1153 39.889,1154 5.525,1155 5.577,1156 6.548,1157 5.323,1158 5.214,1159 7.611,1160 2.162,1161 18.236,1162 5.078,1163 9.115,1164 1.521,1165 1.553,1166 1.539,1167 1.509,1168 1.502,1169 2.096,1170 0.111,1171 4.283,1172 1.425,1173 4.13,1174 4.154,1175 4.357,1176 4.095,1177 7.429,1178 4.061,1179 3.917,1180 3.944,1181 3.994,1182 3.863,1183 5.07,1184 3.853,1185 3.82,1186 3.845,1187 3.823,1188 3.786,1189 4.939,1190 3.76,1191 3.497,1192 3.547,1193 3.514,1194 3.271,1195 4.699,1196 3.3,1197 3.173,1198 3.232,1199 3.363,1200 3.051,1201 4.366,1202 3.029,1203 2.868,1204 2.925,1205 3.118,1206 2.747,1207 4.158,1208 2.738,1209 2.854,1210 2.925,1211 2.732,1212 2.735,1213 3.867,1214 2.715,1215 2.854,1216 2.891,1217 2.687,1218 2.735,1219 3.674,1220 2.715,1221 0.166,1222 0.128,1223 0.241,1224 0.149,1225 0.115,1226 4.653,1227 0.165,1228 3.577,1229 0.039,1230 6.746,1231 0.395,1232 4.169,1233 0.11,1234 3.214,1235 4.611,1236 1.081,1237 11.054,1238 3.078,1239 1.924,1240 1.899,1241 2.031,1242 2.005,1243 1.152,1244 2.014,1245 1.905,1246 1.881,1247 2.008,1248 1.988,1249 1.128,1250 2.001,1251 1.597,1252 1.579,1253 1.681,1254 1.732,1255 0.82,1256 1.723,1257 1.459,1258 1.464,1259 1.521,1260 1.593,1261 0.699,1262 1.566,1263 1.265,1264 1.199,1265 1.321,1266 1.539,1267 0.557,1268 1.527,1269 1.123,1270 1.065,1271 1.196,1272 1.26,1273 0.293,1274 1.301,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.043,1289 5.361,1290 3.045,1291 6.864,1292 5.416,1293 8.449,1294 7.526,1295 10.081,1298 5.873,1303 0.462,1305 2.935,1314 27.954,1315 67.362,1316 135.692,1317 160.157,1318 185.376,1319 188.131,1320 188.131,1321 35.007,1322 7.436,1323 57.78,1324 86.02,1325 22,1326 12.481,1327 4.524,1328 3.644,1329 36.132,1330 98,1331 104,1332 0.179,1333 178.02,1334 293.33,1335 426.13,1336 17616,1337 2.6,1338 17.225,1339 0.689,1340 0.588,1341 18.079,1342 14.695,1343 12.204,1344 0.436,1345 0.32,1346 7.802,1347 11.198,1348 7.535,1349 6.226,1350 12.9,1351 8.96,1352 10.975,1353 0.281,1354 0.181,1355 12.026,1356 7.07,1357 9.432,1358 0.181,1359 0.1,1360 10.562,1361 5.183,1362 7.643,1363 0.112,1364 0.054,1365 8.664,1366 3.657,1367 6.239,1368 0.074,1369 0.03,1370 7.273,1371 2.525,1372 0.285,1373 82.419,1374 0.228,1375 24.608,1376 0.48,1377 134,1378 381.11,1379 183.075,1380 428.456,1381 580.75,1382 400,1383 158,1384 392.383,1385 200.325,1386 426.273,1387 624.57,1388 402,1389 5.1}
{0 CHEMBL1967116,1 1.605,2 13.909,3 4.2,4 17.636,5 134.53,6 8.265,7 0.73,8 4.123,9 4.243,10 3.82,11 3.742,12 5.292,13 3.708,14 4.595,15 4.748,16 4.192,17 4.142,18 5.745,19 4.086,20 4.786,21 4.954,22 4.221,23 4.26,24 5.88,25 4.177,26 4.89,27 5.088,28 4.299,29 4.279,30 5.978,31 4.175,32 4.88,33 5.085,34 4.193,35 4.2,36 5.997,37 4.098,38 4.747,39 4.951,40 4.033,41 4.072,42 5.866,43 3.988,44 4.704,45 4.92,46 3.855,47 4.005,48 5.779,49 3.903,50 4.646,51 4.875,52 3.765,53 3.95,54 5.634,55 3.827,56 0.068,57 0.859,58 9.939,59 4.596,60 10.449,61 5.544,62 0.246,63 1.349,64 18.97,65 7.991,66 23.524,67 9.853,68 0.185,69 1.579,70 22.73,71 9.588,72 28.37,73 11.678,74 0.149,75 1.726,76 30.2,77 11.847,78 31.13,79 14.876,80 0.384,81 1.726,82 35.313,83 11.701,84 49.656,85 13.48,86 0.2,87 1.466,88 25.801,89 9.718,90 39.365,91 11.972,92 0.353,93 1.419,94 26.2,95 9.006,96 47.088,97 11.082,98 0.168,99 1.287,100 22.943,101 9.385,102 25.718,103 12.504,104 17,105 53,106 0.259,107 0.626,108 0.785,109 0.856,110 0.869,111 0.875,112 3.532,113 0.913,114 -4.63,115 -4.55,116 -4.28,119 45.5,120 1,124 1,142 8,143 6,144 2,145 2,147 1,151 2,152 1,159 1,163 1,164 1,165 1,166 1,172 12,175 4,177 1,178 3,179 1,180 5,183 17,185 1,188 4,193 5,196 13,198 1,200 6,205 10,208 7,210 3,212 2,213 10,218 8,221 5,223 3,225 7,230 6,233 8,235 2,238 3,240 2,241 2,243 2,246 10,250 5,253 1,254 1,255 2,257 1,258 10,264 5,269 2,272 8,276 1957,277 22.325,278 22.325,279 22.325,280 22.325,281 22.325,282 18.956,283 20.473,284 13.003,285 22.744,286 18.286,287 18.286,288 18.286,289 18.286,290 18.286,291 13.238,292 26.718,293 6.212,294 18.967,295 4.177,296 1.901,297 0.914,298 0.478,299 0.391,300 0.355,301 4.238,306 1,307 1015,308 3.24,311 160.079,312 319.427,315 142.688,319 2.226,320 22.299,323 1,324 0.83,325 1,326 0.6,328 1,329 1,330 0.78,331 70,332 459,333 4.748,334 3.563,335 7.013,336 4.283,337 3.316,338 4.726,339 1.656,340 11.979,341 3.206,342 4.242,343 3.327,344 6.35,345 3.856,346 2.87,347 3.88,348 0.247,349 9.649,350 2.83,351 4.087,352 2.881,353 5.775,354 3.706,355 2.733,356 3.669,358 7.895,359 2.658,360 4.008,361 2.741,362 5.615,363 3.574,364 2.598,365 3.623,367 7.691,368 2.533,369 3.755,370 2.625,371 5.393,372 3.371,373 2.4,374 3.153,376 7.076,377 2.321,378 3.566,379 2.369,380 5.244,381 3.144,382 2.182,383 2.927,385 6.329,386 2.099,387 3.465,388 2.243,389 4.903,390 3.051,391 2.089,392 2.772,394 5.71,395 2.003,396 3.251,397 2.136,398 4.818,399 2.783,400 1.848,401 2.535,403 5.151,404 1.742,405 3.132,406 1.878,407 4.534,408 2.682,409 1.704,410 2.322,412 4.651,413 1.621,414 2.798,415 1.413,416 4.388,417 2.328,418 1.357,419 1.92,421 3.927,422 1.312,423 2.658,424 1.24,425 3.979,426 2.179,427 1.182,428 1.729,430 2.893,431 1.178,432 2.553,433 1.094,434 3.584,435 2.011,436 1.066,437 1.577,439 2.586,440 1,441 2.5,442 1,443 3.479,444 2,445 1,446 1.5,448 2.275,449 0.998,450 2.261,451 0.849,452 3.414,453 1.673,454 0.806,455 1.155,457 2.058,458 0.686,459 2.151,460 0.697,461 3.268,462 1.577,463 0.675,464 0.988,466 1.653,467 0.6,468 16.067,469 0.487,470 0.87,471 0.026,472 48.25,473 1.462,474 27,475 0.818,476 21.25,477 0.644,478 25.173,479 0.763,480 33.133,481 0.602,482 37.172,483 1.126,484 9.471,485 0.287,486 6.504,487 0.197,488 0.108,490 0.367,496 0.84,497 1.039,498 0.729,499 0.809,500 0.761,501 0.787,502 0.646,503 0.906,504 0.814,505 0.826,506 0.489,507 0.795,508 1.129,509 1.035,510 0.98,511 0.955,512 1.059,513 1.026,514 0.793,515 1.219,516 0.937,517 1.137,518 0.768,519 1.029,520 1.4,521 1.053,522 1.387,523 1.204,524 1.458,525 1.011,526 1.227,527 1.174,528 1.003,529 1.048,530 1.308,531 1.009,532 1.341,533 0.907,534 1.216,535 1.019,536 1.463,537 1.051,538 0.6,539 1.01,540 0.872,541 1.052,542 0.573,543 1.1,544 7,545 0.137,546 3.556,547 2.5,548 1.864,549 1.279,550 0.737,551 0.492,552 0.276,553 0.288,554 17373,555 46037,556 2.131,557 40,558 3,559 11,560 2,561 2,562 4,567 1.748,568 2,569 3.736,570 1.543,577 88.261,578 1.605,579 3.881,580 4.867,581 5.304,582 5.39,583 5.427,584 3.268,585 4.923,586 5.013,587 3.936,588 2078.24,589 8.757,590 31831.2,592 1,595 317.975,596 1.393,597 4.979,598 0.189,599 0.005,600 0.067,601 0.048,602 0.036,603 0.027,604 0.017,605 0.014,606 0.008,607 0.01,608 0.422,610 0.88,611 0.522,612 177.318,613 -0.039,614 0.062,615 0.049,616 0.087,617 -0.133,618 0.065,619 0.196,620 0.16,621 0.077,622 0.129,623 0.157,624 0.11,625 -0.204,626 -0.006,627 -0.107,628 -0.016,629 -0.177,630 -0.109,631 0.062,632 -0.239,633 0.123,634 -0.084,635 0.101,636 -0.032,637 -0.127,638 -0.015,639 -0.131,640 -0.078,641 -0.089,642 -0.034,643 -0.112,644 -0.19,645 -0.036,646 -0.079,647 -0.043,648 -0.048,649 -0.204,650 0.104,651 -0.229,652 -0.054,653 -0.248,654 -0.096,655 0.118,656 -0.094,657 0.005,658 -0.104,659 0.092,660 -0.079,661 1.955,662 5.348,663 0.788,664 39.743,665 1.002,666 1.117,667 3.4,668 11.561,669 0.713,670 3.638,671 3.989,672 4.277,673 4.595,674 4.796,675 4.92,676 5.069,677 5.257,678 5.342,679 5.421,680 8.116,681 0.677,682 454.6,683 3.638,684 5.198,685 6.061,686 6.957,687 7.838,688 8.74,689 9.63,690 10.536,691 11.433,692 12.342,693 10.9,697 1,700 2,701 1,703 2,708 2,709 12,710 2,713 1,714 8,715 1,716 27,727 1,735 55,737 28,738 2,739 37,741 59,742 25,743 22,744 4,745 8,748 5,749 6,753 1,754 1,762 23,763 2,767 1,772 1,776 1,783 22,784 6,785 4,786 8,787 1,792 6,797 0.8,798 1,807 1,809 1,815 2,816 3,819 1,843 4,845 1,847 2,851 33,852 1,860 2,869 1,874 1.8,877 1,881 16.5,882 10.517,883 7.083,884 3.032,886 4.998,887 1.597,888 1.047,889 5.77,890 13.372,891 3.961,892 4.63,893 5.263,894 5.931,895 6.454,896 6.854,897 7.341,898 7.856,899 8.224,900 8.613,901 1,902 52,903 12.131,905 5.19,906 7.687,907 23.163,909 19.126,911 2.187,912 72.167,916 211.88,917 190.464,918 104.144,920 25.145,922 31.278,923 159.187,924 237.025,925 104.144,926 17.222,927 36.022,928 125.404,929 82.136,930 43.886,931 30.892,932 196.073,934 211.88,935 263.331,936 25.145,937 31.278,939 211.88,940 25.145,943 64.718,944 165.164,945 33.449,946 31.278,947 211.88,948 129.289,949 190.464,952 211.88,953 62.642,954 129.599,955 36.022,956 91.491,957 211.88,958 129.289,959 190.464,961 0.588,962 0.341,963 0.192,964 0.102,965 27,966 12,967 0.068,968 4,969 1,970 1.077,971 4.469,972 311.168,973 0.077,974 26,975 160.465,977 1,981 21.468,982 8.87,983 4.437,984 2.004,985 127.512,986 23.056,987 8.71,990 1.634,991 7.058,992 1.771,993 68.919,994 531.633,995 51.5,1000 12.348,1004 -0.288,1007 55.083,1008 61.441,1009 0.278,1010 0.671,1011 0.842,1012 0.917,1013 0.932,1014 0.939,1015 5.197,1016 1.848,1017 6.057,1018 5.71,1019 4.673,1020 5.318,1021 1.758,1022 6.887,1023 4.603,1024 6.433,1025 1.704,1026 7.623,1027 5.151,1028 4.29,1029 5.165,1030 1.195,1031 7.813,1032 4.213,1033 7.755,1034 1.357,1035 9.287,1036 4.651,1037 6.282,1038 7.589,1039 2.415,1040 10.946,1041 6.157,1042 9.113,1043 1.182,1044 11.011,1045 3.927,1046 6.711,1047 8.281,1048 2.324,1049 12.755,1050 6.57,1051 10.502,1052 1.066,1053 12.775,1054 2.893,1055 8.178,1056 10.164,1057 3.244,1058 15.425,1059 8.002,1060 11.915,1061 1,1062 14.57,1063 2.586,1064 8.988,1065 11.276,1066 3.407,1067 17.619,1068 8.787,1069 13.348,1070 0.806,1071 16.388,1072 2.275,1073 10.254,1074 12.94,1075 4.156,1076 20.145,1077 10.022,1078 3.316,1079 0.675,1080 18.227,1081 2.058,1082 11.251,1083 14.268,1084 4.464,1085 22.503,1086 10.988,1087 2.87,1088 11.979,1089 20.082,1090 1.653,1091 12.444,1092 15.845,1093 5.111,1094 24.988,1095 12.15,1096 2.733,1097 9.649,1098 21.95,1099 4.726,1100 13.532,1101 17.283,1102 5.504,1103 27.414,1104 13.204,1105 2.598,1106 7.895,1107 23.83,1108 3.88,1109 14.703,1110 18.83,1111 6.091,1112 29.889,1113 14.343,1114 2.4,1115 7.691,1116 25.72,1117 3.669,1118 15.837,1119 20.323,1120 6.531,1121 32.344,1122 15.442,1123 2.182,1124 7.076,1125 27.618,1126 3.623,1127 17.007,1128 21.863,1129 7.083,1130 34.82,1131 16.578,1132 2.089,1133 6.329,1134 29.523,1135 3.153,1136 18.165,1137 23.383,1138 7.551,1139 37.288,1140 17.7,1141 16124,1142 26428,1143 24.967,1144 39.228,1145 56.593,1146 56.873,1147 57.758,1148 55.682,1149 55.794,1150 77.122,1151 3.806,1152 163.438,1153 53.709,1154 5.614,1155 5.563,1156 6.569,1157 5.396,1158 5.316,1159 7.726,1160 2.912,1161 19.547,1162 5.206,1163 15.707,1164 1.53,1165 1.537,1166 1.561,1167 1.505,1168 1.508,1169 2.084,1170 0.103,1171 4.417,1172 1.452,1173 4.139,1174 4.157,1175 4.346,1176 4.136,1177 7.431,1178 4.098,1179 3.939,1180 3.977,1181 3.885,1182 3.861,1183 5.191,1184 3.858,1185 3.9,1186 3.945,1187 3.859,1188 3.805,1189 4.948,1190 3.807,1191 3.791,1192 3.836,1193 3.791,1194 3.655,1195 4.784,1196 3.661,1197 3.442,1198 3.491,1199 3.438,1200 3.205,1201 4.742,1202 3.233,1203 3.274,1204 3.324,1205 3.38,1206 3.13,1207 4.565,1208 3.124,1209 3.145,1210 3.227,1211 3.044,1212 2.987,1213 4.244,1214 2.968,1215 3.13,1216 3.219,1217 2.956,1218 2.935,1219 4.018,1220 2.926,1221 0.128,1222 0.096,1223 0.19,1224 0.116,1225 0.09,1226 4.748,1227 0.128,1228 3.563,1229 0.045,1230 7.013,1231 0.324,1232 4.283,1233 0.087,1234 3.316,1235 4.726,1236 1.656,1237 11.979,1238 3.206,1239 1.966,1240 1.947,1241 2.044,1242 2.049,1243 1.19,1244 2.047,1245 1.913,1246 1.884,1247 2.028,1248 2.007,1249 1.131,1250 2.014,1251 1.846,1252 1.827,1253 1.893,1254 1.932,1255 1.059,1256 1.935,1257 1.509,1258 1.459,1259 1.722,1260 1.8,1261 0.777,1262 1.776,1263 1.429,1264 1.369,1265 1.564,1266 1.624,1267 0.669,1268 1.602,1269 1.301,1270 1.247,1271 1.526,1272 1.529,1273 0.613,1274 1.526,1275 1.237,1276 1.201,1277 1.387,1278 1.396,1279 0.481,1280 1.43,1281 1.136,1282 1.075,1283 1.276,1284 1.298,1285 0.301,1286 1.34,1287 4.317,1289 5.659,1290 3.045,1291 7.183,1292 5.352,1293 8.795,1294 7.424,1295 10.457,1297 3.875,1301 6.28,1305 5.719,1314 37.245,1315 88.261,1316 213.445,1317 267.71,1318 291.71,1319 296.465,1320 298.465,1321 46.896,1322 8.374,1323 97.86,1324 126.1,1325 28,1326 12.861,1327 4.858,1328 3.954,1329 48.15,1330 161,1331 156,1332 0.145,1333 231.449,1334 383.74,1335 556.495,1336 58076,1338 22.949,1339 0.695,1340 0.575,1341 23.303,1342 18.98,1343 15.974,1344 0.432,1345 0.304,1346 10.334,1347 15.041,1348 9.934,1349 8.297,1350 16.428,1351 11.255,1352 14.874,1353 0.281,1354 0.165,1355 15.399,1356 8.719,1357 12.339,1358 0.174,1359 0.09,1360 13.043,1361 6.383,1362 10.928,1363 0.112,1364 0.05,1365 11.897,1366 4.915,1367 8.474,1368 0.071,1369 0.027,1370 9.341,1371 3.218,1372 0.233,1373 103.675,1374 0.2,1375 31.095,1376 0.381,1377 180,1378 485.509,1379 215.043,1380 506.396,1381 706.32,1382 474,1383 214,1384 522.963,1385 247.977,1386 551.629,1387 802.45,1388 517,1389 7.7}
{0 CHEMBL1967302,1 1.505,2 13.233,3 2.569,4 6.599,5 115.32,6 7.663,7 0.647,8 4.068,9 4.184,10 3.665,11 3.652,12 5.188,13 3.637,14 4.582,15 4.727,16 4.031,17 4.066,18 5.662,19 4.029,20 4.84,21 5.029,22 4.023,23 4.166,24 5.898,25 4.09,26 4.872,27 5.104,28 3.894,29 4.11,30 5.809,31 4.004,32 4.792,33 5.024,34 3.836,35 4.001,36 5.795,37 3.906,38 4.744,39 4.973,40 3.771,41 3.925,42 5.747,43 3.833,44 4.699,45 4.952,46 3.693,47 3.84,48 5.671,49 3.748,50 4.532,51 4.749,52 3.621,53 3.743,54 5.6,55 3.662,56 0.038,57 0.762,58 10.016,59 4.494,60 10.581,61 5.674,62 0.143,63 1.225,64 18.192,65 7.859,66 21.565,67 10.081,68 0.333,69 1.502,70 26.18,71 10.297,72 43.656,73 13.419,74 0.232,75 1.516,76 28.846,77 11.127,78 36.031,79 15.159,80 0.229,81 1.412,82 26.614,83 9.979,84 41.389,85 13.575,86 0.314,87 1.349,88 25.509,89 9.075,90 42.597,91 12.27,92 0.273,93 1.268,94 25.444,95 8.836,96 39.545,97 12.168,98 0.306,99 1.055,100 20.673,101 7.587,102 41.471,103 10.05,104 5,105 48,106 0.247,107 0.634,108 0.823,109 0.905,110 0.911,111 0.911,112 3.44,113 0.88,114 -3.02,115 -3.03,116 -2.92,119 46.2,121 2,125 1,127 1,142 8,143 5,144 2,145 2,151 1,152 1,158 1,163 1,164 1,165 1,172 13,175 3,178 1,180 7,183 14,185 1,187 1,188 5,190 1,191 1,193 6,196 13,198 1,200 6,205 3,208 7,210 1,213 7,217 1,218 3,220 1,221 3,223 2,225 6,227 1,228 2,230 4,233 2,235 3,238 5,241 1,243 2,246 3,248 2,249 1,250 2,253 1,255 3,258 5,260 2,263 1,264 1,267 1,269 3,272 8,274 2,276 1504,277 20.618,278 20.618,279 20.618,280 20.618,281 20.618,282 17.922,283 17.176,284 12.155,285 20.896,286 16.84,287 16.84,288 16.84,289 16.84,290 16.84,291 12.729,292 20.104,293 5.831,294 17.289,295 4.195,296 1.84,297 0.692,298 0.192,299 0.154,300 0.154,301 4.153,305 1,306 1,307 895,308 3.24,311 143.43,312 263.076,315 256.749,319 2.033,320 24.068,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 64,332 397,333 4.527,334 3.683,335 6.533,336 4.059,337 3.072,338 4.474,339 1.987,340 10.301,341 3.03,342 4.402,343 3.162,344 6.332,345 4.042,346 3.052,347 4.068,348 0.86,349 9.748,350 3.02,351 4.124,352 3.025,353 6.06,354 3.764,355 2.784,356 3.674,357 0.324,358 8.84,359 2.729,360 3.69,361 2.853,362 5.356,363 3.391,364 2.438,365 3.035,367 6.941,368 2.321,369 3.511,370 2.586,371 5.248,372 3.227,373 2.257,374 2.806,376 6.548,377 2.181,378 3.348,379 2.404,380 4.819,381 2.94,382 1.924,383 2.548,385 5.345,386 1.938,387 3.132,388 1.977,389 4.79,390 2.814,391 1.83,392 2.319,394 5.187,395 1.796,396 3.045,397 1.794,398 4.463,399 2.518,400 1.546,401 2.229,403 4.409,404 1.501,405 2.882,406 1.583,407 4.243,408 2.508,409 1.527,410 2.022,412 3.821,413 1.496,414 2.868,415 1.546,416 4.145,417 2.393,418 1.432,419 2.003,421 3.7,422 1.371,423 2.618,424 1.219,425 3.582,426 2.144,427 1.155,428 1.671,430 2.748,431 1.14,432 2.588,433 1.141,434 3.489,435 2.05,436 1.102,437 1.629,439 2.551,440 1.04,441 2.086,442 0.988,443 3.212,444 1.627,445 0.687,446 0.922,448 1.609,449 0.642,450 1.688,451 0.677,452 3.161,453 1.407,454 0.499,455 0.587,457 1.158,458 0.449,459 1.643,460 0.657,461 3.019,462 1.378,463 0.409,464 0.489,466 1.072,467 0.397,468 14.267,469 0.476,470 0.691,471 0.023,472 42,473 1.4,474 22.5,475 0.75,476 19.5,477 0.65,478 22.363,479 0.745,480 30.733,481 0.591,482 30.319,483 1.011,484 8.317,485 0.277,486 6.336,487 0.211,488 0.051,490 0.35,496 0.875,497 1.075,498 0.772,499 0.905,500 0.739,501 0.827,502 0.91,503 1.099,504 0.887,505 1.009,506 0.689,507 0.956,508 1.128,509 1.032,510 1.112,511 1.069,512 1.122,513 1.09,514 0.936,515 1.023,516 0.998,517 1.042,518 0.624,519 1.032,520 0.991,521 1.074,522 1.004,523 1.079,524 0.964,525 1.049,526 1.153,527 1.045,528 1.096,529 1.058,530 0.899,531 1.065,532 1.118,533 0.911,534 0.943,535 0.906,536 0.785,537 0.895,538 1.227,539 1,540 1.021,541 0.985,542 1.13,543 0.988,544 6,545 0.136,546 3.111,547 2.021,548 1.248,549 0.837,550 0.452,551 0.379,552 0.225,553 0.175,554 14372,555 36017,556 2.186,557 42.3,559 11,560 1,561 2,562 4,563 2,564 2,567 1.723,568 2.093,569 3.684,570 1.564,571 1,572 1,577 78.276,578 1.505,579 3.86,580 5.008,581 5.508,582 5.547,583 5.547,584 3.111,585 4.84,586 4.883,587 3.855,588 1677.08,589 8.482,590 24318.1,592 1,594 1,595 296.423,596 1.231,597 4.859,598 0.176,599 0.005,600 0.065,601 0.045,602 0.032,603 0.023,604 0.014,605 0.012,606 0.008,607 0.006,608 0.387,609 0.17,610 0.88,611 0.424,612 157.086,613 -0.089,614 0.046,615 0.035,616 0.067,617 -0.096,618 0.074,619 -0.014,620 -0.043,621 -0.024,622 -0.026,623 -0.008,624 -0.027,625 -0.051,626 -0.034,627 -0.167,628 -0.088,629 -0.102,630 -0.137,631 -0.054,632 -0.074,633 -0.013,634 -0.044,635 0.02,636 -0.026,637 -0.021,638 -0.108,639 -0.009,640 -0.098,641 -0.004,642 -0.06,643 -0.032,644 -0.056,645 -0.087,646 -0.099,647 -0.056,648 -0.101,649 -0.036,650 0.052,651 0.097,652 0.062,653 0.029,654 0.096,655 0.029,656 -0.049,657 -0.006,658 -0.004,659 0.005,660 -0.015,661 1.637,662 4.58,663 0.8,664 30.009,665 1,666 1.118,667 1.795,668 3.222,669 0.688,670 3.555,671 3.892,672 4.174,673 4.466,674 4.654,675 4.682,676 4.836,677 4.934,678 4.898,679 4.97,680 7.735,681 0.659,682 398.5,683 3.555,684 5.106,685 5.964,686 6.847,687 7.718,688 8.603,689 9.48,690 10.365,691 11.244,692 12.129,693 7.7,694 1,700 1,701 1,703 1,708 2,709 11,710 1,711 1,714 6,716 22,733 1,735 52,737 23,738 2,739 34,741 56,742 24,743 19,744 5,745 7,748 5,749 7,757 1,760 3,762 20,763 4,767 1,772 1,776 1,780 1,783 22,784 5,785 4,786 6,792 4,797 0.6,798 2,809 1,811 1,815 2,816 3,819 2,829 1,836 1,843 3,851 30,852 1,858 3,860 1,861 1,863 1,874 3.8,877 1,879 1,881 14.333,882 9.117,883 6.444,884 3.001,886 4.359,887 1.536,888 1.045,889 4.991,890 12.487,891 3.85,892 4.48,893 5.085,894 5.707,895 6.221,896 6.458,897 6.87,898 7.218,899 7.288,900 7.549,901 0.889,902 45,903 11.077,905 4.813,906 7.678,907 21.32,909 18.046,911 2.178,912 65.333,915 1,916 211.88,917 142.778,918 84.479,920 36.145,923 142.778,924 248.025,925 84.479,927 60.569,928 84.857,929 70.177,930 69.196,931 13.915,932 176.567,934 211.88,935 227.257,936 36.145,939 188.338,940 59.687,943 95.45,944 115.022,945 16.786,947 211.88,948 120.624,949 142.778,952 211.88,953 39.826,954 102.952,955 34.796,956 85.828,957 211.88,958 120.624,959 142.778,961 0.584,962 0.34,963 0.191,964 0.103,965 25,966 10,967 0.107,968 6,969 2,970 1.167,971 4.35,972 268.074,973 0.167,974 24,975 147.207,981 18.859,982 7.94,983 3.98,984 2.31,985 103.838,986 21.6,987 4.311,988 3.281,991 5.703,993 67.693,994 475.282,995 46,1000 11.58,1004 0.029,1007 52.014,1008 58.149,1009 0.264,1010 0.677,1011 0.879,1012 0.966,1013 0.973,1014 0.973,1015 5.085,1016 1.546,1017 5.943,1018 5.187,1019 4.575,1020 5.168,1021 2.246,1022 6.744,1023 4.527,1024 6.294,1025 1.527,1026 7.489,1027 4.409,1028 4.111,1029 4.945,1030 1.593,1031 7.582,1032 4.069,1033 7.6,1034 1.432,1035 9.132,1036 3.821,1037 6.159,1038 7.392,1039 3.148,1040 10.683,1041 6.076,1042 8.942,1043 1.155,1044 10.831,1045 3.7,1046 6.524,1047 8.025,1048 3.168,1049 12.372,1050 6.443,1051 10.317,1052 1.102,1053 12.569,1054 2.748,1055 8.023,1056 9.93,1057 4.323,1058 14.96,1059 7.914,1060 11.715,1061 0.687,1062 14.332,1063 2.551,1064 8.779,1065 10.983,1066 4.654,1067 17.005,1068 8.669,1069 13.132,1070 0.499,1071 16.116,1072 1.609,1073 10.048,1074 12.65,1075 5.603,1076 19.411,1077 9.918,1078 3.072,1079 0.409,1080 17.914,1081 1.158,1082 10.992,1083 13.916,1084 6.091,1085 21.605,1086 10.857,1087 3.052,1088 10.301,1089 19.723,1090 1.072,1091 12.163,1092 15.475,1093 6.928,1094 23.945,1095 12.013,1096 2.784,1097 9.748,1098 21.542,1099 4.474,1100 13.196,1101 16.847,1102 7.5,1103 26.202,1104 13.038,1105 2.438,1106 8.84,1107 23.368,1108 4.068,1109 14.327,1110 18.357,1111 8.273,1112 28.519,1113 14.157,1114 2.257,1115 6.941,1116 25.2,1117 3.674,1118 15.4,1119 19.783,1120 8.894,1121 30.804,1122 15.221,1123 1.924,1124 6.548,1125 27.037,1126 3.035,1127 16.517,1128 21.274,1129 9.631,1130 33.115,1131 16.326,1132 1.83,1133 5.345,1134 28.878,1135 2.806,1136 17.61,1137 22.727,1138 10.279,1139 35.414,1140 17.409,1141 13037,1142 20778,1143 23.463,1144 35.784,1145 51.719,1146 52.898,1147 52.195,1148 51.318,1149 51.432,1150 68.955,1151 6.342,1152 147.96,1153 50.104,1154 5.429,1155 5.683,1156 6.215,1157 5.127,1158 5.072,1159 7.474,1160 3.497,1161 17.025,1162 5.03,1163 10.347,1164 1.521,1165 1.556,1166 1.535,1167 1.509,1168 1.513,1169 2.028,1170 0.187,1171 4.352,1172 1.474,1173 4.132,1174 4.166,1175 4.085,1176 4.049,1177 7.429,1178 4.054,1179 4.038,1180 4.064,1181 3.994,1182 3.967,1183 5.052,1184 3.97,1185 3.819,1186 3.852,1187 3.768,1188 3.688,1189 4.949,1190 3.702,1191 3.623,1192 3.685,1193 3.501,1194 3.48,1195 4.932,1196 3.476,1197 3.402,1198 3.445,1199 3.327,1200 3.243,1201 4.69,1202 3.257,1203 3.357,1204 3.412,1205 3.247,1206 3.189,1207 4.352,1208 3.195,1209 3.017,1210 3.076,1211 2.9,1212 2.85,1213 4.302,1214 2.851,1215 2.937,1216 3.007,1217 2.811,1218 2.808,1219 3.972,1220 2.801,1221 0.133,1222 0.108,1223 0.192,1224 0.119,1225 0.09,1226 4.527,1227 0.132,1228 3.683,1229 0.058,1230 6.533,1231 0.303,1232 4.059,1233 0.089,1234 3.072,1235 4.474,1236 1.987,1237 10.301,1238 3.03,1239 1.963,1240 1.943,1241 2.048,1242 2.046,1243 1.259,1244 2.047,1245 1.941,1246 1.917,1247 2.037,1248 2.018,1249 1.204,1250 2.026,1251 1.727,1252 1.693,1253 1.889,1254 1.898,1255 1.071,1256 1.899,1257 1.661,1258 1.612,1259 1.794,1260 1.808,1261 0.91,1262 1.807,1263 1.414,1264 1.375,1265 1.594,1266 1.67,1267 0.723,1268 1.64,1269 1.371,1270 1.305,1271 1.572,1272 1.616,1273 0.681,1274 1.61,1275 1.049,1276 0.997,1277 1.285,1278 1.263,1279 0.389,1280 1.274,1281 0.98,1282 0.932,1283 1.165,1284 1.184,1285 0.256,1286 1.188,1287 4.234,1289 5.565,1290 3.045,1291 7.077,1292 5.416,1293 8.673,1294 7.506,1295 10.314,1301 6.329,1303 1.533,1305 2.854,1306 5.936,1308 -0.134,1314 34.256,1315 78.276,1316 200.718,1317 260.423,1318 286.423,1319 288.423,1320 288.423,1321 44.211,1322 8.128,1323 93.03,1324 93.03,1325 28,1326 12.662,1327 4.585,1328 3.7,1329 41.905,1330 141,1331 122,1332 0.141,1333 206.988,1334 350.9,1335 496.811,1336 46855,1338 20.501,1339 0.683,1340 0.546,1341 20.501,1342 16.391,1343 14.653,1344 0.431,1345 0.293,1346 9.861,1347 14.216,1348 9.661,1349 7.97,1350 14.653,1351 9.971,1352 13.427,1353 0.28,1354 0.159,1355 13.427,1356 7.641,1357 11.335,1358 0.177,1359 0.084,1360 11.335,1361 5.398,1362 9.848,1363 0.115,1364 0.045,1365 9.848,1366 3.91,1367 7.94,1368 0.076,1369 0.025,1370 7.94,1371 2.592,1372 0.229,1373 91.055,1374 0.206,1375 28.881,1376 0.367,1377 164,1378 435.094,1379 175.946,1380 427.404,1381 593.68,1382 402,1383 194,1384 443.063,1385 205.921,1386 452.557,1387 660.3,1388 427,1389 6.1}
{0 CHEMBL1967531,1 1.676,2 11.731,3 2.976,4 8.858,5 104.575,6 8.816,7 0.759,8 3.843,9 3.955,10 3.597,11 3.482,12 5.064,13 3.453,14 4.28,15 4.407,16 3.958,17 3.855,18 5.522,19 3.801,20 4.487,21 4.662,22 3.945,23 3.922,24 5.623,25 3.854,26 4.515,27 4.707,28 3.95,29 3.88,30 5.695,31 3.794,32 4.491,33 4.694,34 3.74,35 3.769,36 5.68,37 3.672,38 4.317,39 4.529,40 3.545,41 3.589,42 5.486,43 3.513,44 4.162,45 4.379,46 3.382,47 3.485,48 5.218,49 3.395,50 4.097,51 4.319,52 3.308,53 3.422,54 5.146,55 3.3,56 0.062,57 0.643,58 6.452,59 3.247,60 9.099,61 3.551,62 0.23,63 1.001,64 12.083,65 5.575,66 19.54,67 6.465,68 0.191,69 1.165,70 15.807,71 6.888,72 26.544,73 7.942,74 0.202,75 1.204,76 19.566,77 7.659,78 26.101,79 9.068,80 0.286,81 1.127,82 22.705,83 8.062,84 42.497,85 8.617,86 0.268,87 0.952,88 17.467,89 6.128,90 39.963,91 6.746,92 0.171,93 0.815,94 12.842,95 4.991,96 23.584,97 6.29,98 0.15,99 0.745,100 13.468,101 5.692,102 17.254,103 7.32,104 5,105 40,106 0.289,107 0.576,108 0.707,109 0.793,110 0.83,111 0.839,112 3.304,113 0.91,114 -4.23,115 -4.17,116 -3.94,119 46.3,142 9,143 3,144 2,147 1,148 1,151 1,159 1,161 1,163 1,164 1,165 1,172 10,174 1,175 3,177 1,178 3,179 1,180 5,183 13,185 1,188 2,193 5,196 9,198 1,200 7,202 1,203 1,205 8,208 4,210 2,213 8,218 7,221 2,223 2,225 6,230 5,233 4,235 2,238 1,243 2,246 8,250 1,253 2,254 1,255 1,257 1,258 8,264 1,269 1,272 6,276 900,277 17.861,278 17.861,279 17.861,280 17.861,281 17.861,282 15.093,283 14.885,284 10.671,285 18.29,286 14.348,287 14.348,288 14.348,289 14.348,290 14.348,291 10.279,292 20.83,293 5.095,294 15.034,295 3.681,296 2.014,297 1.251,298 0.75,299 0.537,300 0.488,301 4.004,304 1,305 1,306 1,307 674,308 2.915,311 59.466,312 250.335,315 112.001,319 1.926,320 19.978,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 55.5,332 305,333 4.666,334 3.562,335 6.884,336 4.192,337 3.229,338 4.626,339 1.656,340 11.489,341 3.118,342 4.076,343 3.244,344 5.857,345 3.684,346 2.717,347 3.675,348 0.247,349 8.076,350 2.62,351 3.946,352 2.664,353 5.561,354 3.54,355 2.567,356 3.474,358 7.581,359 2.492,360 3.691,361 2.532,362 5.316,363 3.302,364 2.332,365 3.061,367 6.879,368 2.256,369 3.427,370 2.319,371 5.034,372 2.939,373 2,374 2.808,376 5.677,377 1.918,378 3.374,379 2.058,380 4.671,381 2.854,382 1.925,383 2.631,385 5.069,386 1.717,387 2.989,388 1.539,389 4.397,390 2.461,391 1.513,392 2.212,394 4.034,395 1.431,396 2.846,397 1.519,398 3.811,399 2.371,400 1.381,401 1.978,403 2.992,404 1.361,405 2.553,406 1.088,407 3.569,408 2,409 1.064,410 1.577,412 2.684,413 1,414 2.5,415 1,416 3.414,417 2,418 1,419 1.5,421 2.275,422 1,423 2.5,424 1,425 3.313,426 1.993,427 1,428 1.5,430 2.136,431 0.979,432 2.187,433 0.807,434 3.247,435 1.573,436 0.744,437 1.053,439 1.81,440 0.602,441 1.322,442 0.62,443 2.898,444 1.016,445 0.072,446 0.085,448 0.19,449 0.067,450 1.174,451 0.273,452 2.476,453 0.758,454 -0.238,455 -0.309,457 -0.559,458 -0.232,459 1.042,460 -0.18,461 2.364,462 0.579,463 -0.338,464 -0.448,466 -0.775,467 -0.309,468 12.667,469 0.487,470 0.554,471 0.021,472 40,473 1.538,474 23,475 0.885,476 17,477 0.654,478 16.194,479 0.623,480 25.733,481 0.628,482 27.443,483 1.055,484 7.889,485 0.303,486 4.815,487 0.185,488 0.058,490 0.316,496 0.907,497 1.032,498 0.709,499 0.744,500 0.758,501 0.719,502 0.453,503 0.962,504 0.868,505 0.985,506 0.51,507 0.936,508 1.105,509 1.073,510 0.868,511 0.899,512 1.012,513 0.977,514 0.9,515 1.17,516 0.953,517 1.13,518 0.844,519 1.058,520 1.535,521 1.07,522 1.325,523 1.161,524 1.586,525 1.066,526 1.586,527 0.973,528 1.122,529 0.923,530 1.63,531 0.956,532 0.965,533 0.971,534 0.838,535 0.9,536 0.936,537 1.04,538 0.439,539 0.866,540 0.849,541 1.055,542 0.59,543 1.093,544 4.5,545 0.079,546 2.444,547 1.75,548 1.357,549 0.611,550 0.406,551 0.242,552 0.143,553 0.198,554 9118,555 26743,556 2.148,557 36.6,559 9,560 1,561 1,562 4,567 1.684,568 2.053,569 3.491,570 1.735,571 1,572 1,577 68.736,578 1.676,579 3.343,580 4.107,581 4.607,582 4.821,583 4.87,584 2.922,585 3.873,586 4.672,587 3.677,588 1195.11,589 8.061,590 15364.4,591 1,592 1,594 1,595 219.66,596 1.239,597 4.65,598 0.155,599 0.005,600 0.061,601 0.045,602 0.038,603 0.02,604 0.016,605 0.011,606 0.007,607 0.011,608 0.369,609 0.33,610 1,611 0.465,612 129.175,613 -0.155,614 0.038,615 0.029,616 0.114,617 -0.154,618 0.089,619 0.332,620 0.082,621 -0.009,622 -0.053,623 0.128,624 -0.077,625 -0.169,626 -0.086,627 -0.036,628 -0.006,629 -0.128,630 -0.062,631 0.035,632 -0.195,633 0.057,634 -0.131,635 0.085,636 -0.081,637 -0.248,638 -0.102,639 -0.182,640 -0.093,641 -0.114,642 -0.068,643 -0.309,644 0.006,645 -0.144,646 0.028,647 -0.218,648 0.009,649 -0.118,650 -0.033,651 -0.037,652 -0.034,653 -0.154,654 -0.059,655 0.294,656 0.01,657 0.087,658 -0.074,659 0.137,660 -0.027,661 1.956,662 5.061,663 0.808,664 24.769,665 1.008,666 1.115,667 2.998,668 8.986,669 0.73,670 3.401,671 3.714,672 3.989,673 4.277,674 4.454,675 4.466,676 4.585,677 4.727,678 4.736,679 4.796,680 6.901,681 0.699,682 361.46,683 3.401,684 4.934,685 5.784,686 6.661,687 7.526,688 8.409,689 9.282,690 10.169,691 11.048,692 11.939,693 12.2,697 1,700 2,703 2,708 2,709 11,710 2,713 1,714 5,716 22,727 1,735 41,737 23,738 2,739 29,741 44,742 19,743 18,744 3,745 9,748 4,749 5,753 1,762 19,767 1,772 1,776 1,779 1,780 1,783 15,784 6,785 4,786 7,787 1,792 5,797 0.75,798 1,810 1,815 1,816 3,819 1,843 3,845 1,851 26,852 1,860 2,869 1,874 2.4,877 1,881 12.667,882 7.233,883 5.694,884 2.206,886 4.067,887 1.542,888 1.05,889 4.607,890 11.564,891 3.738,892 4.373,893 4.99,894 5.632,895 6.155,896 6.42,897 6.86,898 7.325,899 7.553,900 7.892,901 0.875,902 39,903 9.534,905 4.064,906 7.776,907 18.011,909 14.679,911 2.276,912 59.167,915 1,916 129.482,917 154.21,918 102.49,920 25.145,922 31.278,923 122.932,924 154.627,925 102.49,927 36.022,928 125.832,929 70.804,930 23.076,931 18.375,932 137.218,934 129.482,935 225.422,936 25.145,937 31.278,939 129.482,940 25.145,943 44.957,944 146.894,945 33.571,946 31.278,947 129.482,948 127.635,949 154.21,952 129.482,953 52.656,954 101.554,955 36.022,956 91.613,957 129.482,958 127.635,959 154.21,961 0.577,962 0.336,963 0.19,964 0.1,965 20,966 8,967 0.068,968 3,969 1,970 1.095,971 3.942,972 216.295,973 0.095,974 21,975 114.211,977 1,981 16.64,982 7.199,983 3.596,984 1.719,985 127.635,986 20.346,987 8.318,990 1.528,991 3.888,993 68.919,994 411.327,995 41,1000 12.061,1004 -0.289,1007 41.331,1008 45.697,1009 0.313,1010 0.624,1011 0.767,1012 0.86,1013 0.9,1014 0.909,1015 4.945,1016 1.381,1017 5.753,1018 4.034,1019 4.394,1020 5.059,1021 1.758,1022 6.55,1023 4.308,1024 6.16,1025 1.064,1026 7.295,1027 2.992,1028 3.892,1029 4.796,1030 1.195,1031 7.427,1032 3.79,1033 7.464,1034 1,1035 8.94,1036 2.684,1037 5.964,1038 7.305,1039 2.415,1040 10.557,1041 5.806,1042 8.806,1043 1,1044 10.649,1045 2.275,1046 6.312,1047 7.923,1048 2.324,1049 12.35,1050 6.134,1051 10.183,1052 0.744,1053 12.402,1054 2.136,1055 7.828,1056 9.866,1057 3.244,1058 15,1059 7.609,1060 11.585,1061 0.072,1062 14.188,1063 1.81,1064 8.59,1065 10.934,1066 3.407,1067 17.181,1068 8.342,1069 13.009,1070 -0.238,1071 16,1072 0.19,1073 9.878,1074 12.633,1075 4.156,1076 19.683,1077 9.595,1078 3.229,1079 -0.338,1080 17.832,1081 -0.559,1082 10.845,1083 13.936,1084 4.464,1085 22.022,1086 10.528,1087 2.717,1088 11.489,1089 19.681,1090 -0.775,1091 12.042,1092 15.529,1093 5.111,1094 24.479,1095 11.692,1096 2.567,1097 8.076,1098 21.543,1099 4.626,1100 13.11,1101 16.95,1102 5.504,1103 26.881,1104 12.723,1105 2.332,1106 7.581,1107 23.417,1108 3.675,1109 14.275,1110 18.5,1111 6.091,1112 29.325,1113 13.856,1114 2,1115 6.879,1116 25.301,1117 3.474,1118 15.392,1119 19.978,1120 6.531,1121 31.751,1122 14.936,1123 1.925,1124 5.677,1125 27.192,1126 3.061,1127 16.549,1128 21.512,1129 7.083,1130 34.192,1131 16.06,1132 1.513,1133 5.069,1134 29.09,1135 2.808,1136 17.69,1137 23.017,1138 7.551,1139 36.627,1140 17.164,1141 8507,1142 14717,1143 19.879,1144 29.938,1145 43.579,1146 44.202,1147 44.221,1148 43.019,1149 43.087,1150 60.36,1151 3.806,1152 121.781,1153 41.125,1154 5.53,1155 5.562,1156 6.686,1157 5.298,1158 5.229,1159 7.626,1160 2.912,1161 18.662,1162 5.118,1163 9.173,1164 1.503,1165 1.524,1166 1.525,1167 1.483,1168 1.486,1169 2.081,1170 0.131,1171 4.199,1172 1.418,1173 4.092,1174 4.11,1175 4.324,1176 4.08,1177 7.431,1178 4.042,1179 3.91,1180 3.946,1181 3.866,1182 3.828,1183 5.222,1184 3.824,1185 3.825,1186 3.86,1187 3.789,1188 3.757,1189 4.804,1190 3.745,1191 3.426,1192 3.473,1193 3.443,1194 3.177,1195 4.764,1196 3.211,1197 3.259,1198 3.308,1199 3.365,1200 3.097,1201 4.697,1202 3.094,1203 3.002,1204 3.108,1205 2.973,1206 2.819,1207 4.268,1208 2.797,1209 2.869,1210 2.942,1211 2.762,1212 2.735,1213 3.987,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.763,1220 2.715,1221 0.161,1222 0.123,1223 0.237,1224 0.145,1225 0.111,1226 4.666,1227 0.16,1228 3.562,1229 0.057,1230 6.884,1231 0.396,1232 4.192,1233 0.108,1234 3.229,1235 4.626,1236 1.656,1237 11.489,1238 3.118,1239 1.947,1240 1.924,1241 2.032,1242 2.041,1243 1.156,1244 2.037,1245 1.884,1246 1.853,1247 2.006,1248 1.985,1249 1.061,1250 1.991,1251 1.748,1252 1.716,1253 1.789,1254 1.901,1255 0.872,1256 1.885,1257 1.384,1258 1.372,1259 1.43,1260 1.592,1261 0.587,1262 1.557,1263 1.213,1264 1.176,1265 1.302,1266 1.368,1267 0.317,1268 1.402,1269 0.894,1270 0.84,1271 1.181,1272 1.233,1273 0.218,1274 1.226,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.886,1282 0.821,1283 1.162,1284 1.062,1285 0.135,1286 1.107,1287 4.078,1289 5.389,1290 2.398,1291 6.897,1292 4.727,1293 8.494,1294 6.862,1295 10.137,1301 5.998,1305 5.597,1314 28.643,1315 68.736,1316 137.077,1317 168.375,1318 188.905,1319 197.66,1320 199.66,1321 34.233,1322 7.497,1323 92.93,1324 121.17,1325 23,1326 12.47,1327 4.585,1328 3.7,1329 38.354,1330 112,1331 100,1332 0.172,1333 180.349,1334 297.48,1335 431.811,1336 19527,1338 17.933,1339 0.69,1340 0.556,1341 18.286,1342 14.456,1343 12.704,1344 0.438,1345 0.303,1346 7.905,1347 11.882,1348 7.672,1349 6.38,1350 13.158,1351 8.797,1352 11.348,1353 0.284,1354 0.162,1355 11.899,1356 6.469,1357 9.494,1358 0.179,1359 0.09,1360 10.168,1361 4.771,1362 8.318,1363 0.117,1364 0.05,1365 9.18,1366 3.583,1367 6.495,1368 0.076,1369 0.027,1370 7.248,1371 2.312,1372 0.276,1373 83.353,1374 0.224,1375 25.535,1376 0.454,1377 138,1378 397.864,1379 171.906,1380 417.131,1381 575.99,1382 390,1383 162,1384 416.318,1385 191.864,1386 440.43,1387 641.32,1388 414,1389 6.6}
{0 CHEMBL1967544,1 1.587,2 12.333,3 3.511,4 12.326,5 145.007,6 7.9,7 0.7,8 4.242,9 4.351,10 3.986,11 3.859,12 5.336,13 3.814,14 4.762,15 4.923,16 4.307,17 4.262,18 5.961,19 4.204,20 5,21 5.165,22 4.48,23 4.481,24 6.087,25 4.389,26 5.17,27 5.349,28 4.538,29 4.531,30 6.328,31 4.437,32 5.242,33 5.432,34 4.495,35 4.521,36 6.497,37 4.433,38 5.201,39 5.41,40 4.384,41 4.487,42 6.314,43 4.373,44 5.169,45 5.386,46 4.315,47 4.441,48 6.257,49 4.322,50 5.165,51 5.397,52 4.191,53 4.34,54 6.277,55 4.238,56 0.083,57 0.952,58 14.706,59 5.855,60 19.805,61 7.102,62 0.375,63 1.533,64 24.055,65 9.397,66 51.439,67 11.835,68 0.19,69 1.915,70 34.128,71 13.961,72 31.351,73 16.791,74 0.309,75 2.181,76 45.207,77 16.45,78 70.909,79 19.332,80 0.651,81 2.271,82 46.237,83 16.307,84 124.585,85 19.613,86 0.501,87 2.192,88 42.728,89 16.143,90 79.367,91 20.246,92 0.291,93 2.148,94 46.478,95 16.734,96 70.599,97 20.612,98 0.606,99 2.067,100 42.071,101 14.173,102 107.137,103 17.847,104 31,105 58,106 0.249,107 0.54,108 0.728,109 0.857,110 0.874,111 0.874,112 3.616,113 0.979,114 -3.47,115 -3.45,116 -3.3,119 44.4,124 2,125 2,142 11,143 6,144 3,145 4,163 1,164 1,165 1,172 16,174 3,175 6,183 19,187 1,188 14,190 1,191 1,196 16,200 18,208 9,212 2,213 14,215 2,216 2,218 1,221 6,223 1,224 3,225 12,227 1,228 1,230 3,233 5,235 3,238 10,243 4,246 7,248 4,249 1,250 7,255 4,258 10,260 4,263 2,264 6,266 1,267 1,269 3,272 13,274 3,276 2444,277 24.402,278 24.402,279 24.402,280 24.402,281 24.402,282 21.004,283 16.804,284 14.291,285 24.841,286 19.714,287 19.714,288 19.714,289 19.714,290 19.714,291 14.496,292 24.466,293 6.608,294 20.427,295 4.39,296 2.538,297 1.338,298 0.512,299 0.405,300 0.405,301 4.321,306 1,307 972,308 4.301,312 493.19,316 323.145,319 1.852,320 37.229,323 1,324 0.83,325 1,326 0.6,327 0.5,328 1,329 1,330 0.85,331 76.5,332 444,333 5.006,334 4.749,335 7.784,336 4.522,337 3.593,338 4.902,339 0.8,340 14.227,341 3.323,342 4.493,343 3.193,344 6.724,345 4.06,346 3.081,347 4.365,348 0.4,349 10.829,350 3.022,351 4.445,352 3.038,353 6.308,354 3.988,355 2.994,356 4.32,358 9.624,359 2.967,360 4.14,361 2.891,362 6.151,363 3.699,364 2.719,365 3.785,367 8.84,368 2.667,369 3.77,370 2.598,371 5.976,372 3.433,373 2.473,374 3.16,376 8.289,377 2.362,378 3.596,379 2.413,380 5.578,381 3.161,382 2.199,383 2.99,385 6.963,386 2.111,387 3.118,388 1.848,389 4.89,390 2.655,391 1.703,392 2.427,394 4.795,395 1.618,396 3.118,397 1.618,398 4.495,399 2.618,400 1.618,401 2.427,403 4.419,404 1.614,405 3.076,406 1.618,407 4.374,408 2.614,409 1.618,410 2.306,412 4.069,413 1.612,414 2.908,415 1.562,416 4.198,417 2.448,418 1.487,419 2.061,421 3.688,422 1.428,423 2.837,424 1.49,425 3.935,426 2.355,427 1.405,428 1.97,430 3.158,431 1.332,432 2.698,433 1.333,434 3.742,435 2.242,436 1.275,437 1.769,439 2.909,440 1.24,441 2.6,442 1.268,443 3.608,444 2.233,445 1.248,446 1.644,448 2.857,449 1.218,450 2.488,451 1.101,452 3.475,453 2.042,454 1.094,455 1.478,457 2.488,458 1.033,459 2.18,460 1.008,461 3.406,462 1.774,463 0.801,464 1.069,466 1.926,467 0.776,468 17.5,469 0.486,470 0.948,471 0.026,472 53,473 1.472,474 30,475 0.833,476 23,477 0.639,478 29.246,479 0.812,480 37.1,481 0.589,482 46.513,483 1.292,484 10.411,485 0.289,486 6.985,487 0.194,488 0.118,489 0.048,490 0.303,496 0.605,497 1.281,498 0.809,499 1.13,500 0.736,501 0.906,502 0.843,503 0.856,504 0.819,505 0.737,506 0.637,507 0.763,508 0.855,509 1.022,510 1.078,511 1.098,512 0.811,513 0.973,514 1.325,515 1.18,516 1.26,517 1.253,518 1.405,519 1.04,520 1.527,521 1.055,522 1.172,523 1.072,524 1.692,525 1.023,526 1.166,527 1.002,528 1.059,529 1.033,530 1.331,531 1.058,532 1.06,533 1.197,534 1.261,535 1.254,536 1.009,537 1.076,538 1.749,539 0.892,540 1.044,541 0.81,542 1.835,543 0.931,544 7,545 0.227,546 5.333,547 3.313,548 2.622,549 1.674,550 1.056,551 0.644,552 0.526,553 0.357,554 18522,555 47407,556 2.096,557 42.9,559 21,561 4,562 2,567 1.779,568 1.955,569 3.583,570 0.148,577 99.971,578 1.587,579 3.44,580 4.639,581 5.465,582 5.572,583 5.572,584 3.063,585 4.67,586 5.142,587 3.735,588 2353.02,589 9.063,590 35871.4,595 376.569,596 1.548,597 5.093,598 0.175,599 0.006,600 0.092,601 0.05,602 0.039,603 0.026,604 0.018,605 0.012,606 0.011,607 0.008,608 0.437,609 0.33,610 0.75,611 0.914,612 193.457,613 0.095,614 -0.146,615 0.19,616 -0.065,617 -0.165,618 0.024,619 0.144,620 0.251,621 0.1,622 0.219,623 0.179,624 0.15,625 0.012,626 0.034,627 0.022,629 0.01,630 0.004,631 -0.088,632 -0.16,633 -0.05,634 -0.121,635 -0.042,636 -0.059,637 -0.036,638 -0.052,639 -0.101,640 -0.058,641 0.001,642 -0.079,643 -0.008,644 -0.019,645 -0.064,646 -0.045,647 -0.081,648 -0.088,649 -0.053,650 -0.205,651 -0.107,652 -0.165,653 0.043,654 -0.071,655 -0.288,656 0.086,657 -0.102,658 0.095,659 -0.243,660 0.01,661 4.849,662 7.063,663 0.722,664 36.093,665 0.999,666 1.117,667 2.243,668 5.032,669 0.698,670 3.714,671 4.078,672 4.407,673 4.71,674 4.97,675 5.037,676 5.22,677 5.338,678 5.46,679 5.468,680 7.208,681 0.659,682 497.67,683 3.714,684 5.283,685 6.163,686 7.072,687 7.972,688 8.886,689 9.792,690 10.709,691 11.618,692 12.535,693 7.9,694 1,699 2,703 2,708 4,709 15,710 2,714 5,716 28,730 1,735 63,737 30,738 3,739 40,741 67,742 28,743 24,744 7,745 9,748 5,749 7,754 1,762 24,763 4,767 2,770 1,772 2,783 27,784 7,785 2,786 8,787 1,792 5,797 0.6,798 2,809 2,816 5,820 2,836 1,843 3,845 1,847 2,851 36,852 1,855 1,858 2,864 2,874 3.2,877 2,881 18.417,882 11.883,883 7.861,884 3.56,886 5.7,887 1.67,888 1.032,889 6.526,890 14.212,891 4.043,892 4.732,893 5.388,894 6.043,895 6.661,896 6.993,897 7.486,898 7.909,899 8.324,900 8.518,901 1,902 66,903 13.637,905 6.17,906 7.748,907 25.494,909 21.386,911 2.248,912 80.917,916 294.278,917 190.967,918 71.111,920 44.313,922 5.807,923 185.16,924 338.591,925 71.111,926 16.793,927 37.109,928 110.046,929 124.968,930 64.56,932 247.193,934 294.278,935 256.271,936 44.313,937 5.807,939 294.278,940 44.313,943 73.298,944 149.402,945 39.378,947 294.278,948 115.424,949 190.967,951 5.807,952 294.278,953 27.939,954 161.864,956 110.781,957 294.278,958 115.424,959 190.967,961 0.585,962 0.358,963 0.205,964 0.115,965 29,966 13,967 0.104,968 7,969 2,970 1.154,971 4.409,972 369.486,973 0.154,974 26,975 180.117,980 1,981 24.051,982 9.769,983 4.514,984 3.615,985 115.424,986 27.757,987 8.55,991 3.407,993 32.897,994 600.669,995 56,998 -3.932,1000 28.125,1007 62.96,1008 70.398,1009 0.265,1010 0.575,1011 0.776,1012 0.914,1013 0.932,1014 0.932,1015 5.288,1016 1.618,1017 6.184,1018 4.795,1019 4.762,1020 5.421,1021 0.824,1022 7.089,1023 4.694,1024 6.543,1025 1.618,1026 7.807,1027 4.419,1028 4.511,1029 5.453,1030 0.325,1031 8.343,1032 4.38,1033 7.901,1034 1.487,1035 9.548,1036 4.069,1037 6.469,1038 7.803,1039 0.413,1040 11.478,1041 6.321,1042 9.307,1043 1.405,1044 11.365,1045 3.688,1046 7.074,1047 8.683,1048 0.268,1049 13.599,1050 6.844,1051 10.752,1052 1.275,1053 13.231,1054 3.158,1055 8.539,1056 10.53,1057 0.246,1058 16.344,1059 8.283,1060 12.226,1061 1.248,1062 15.133,1063 2.909,1064 9.512,1065 11.783,1066 0.188,1067 18.788,1068 9.169,1069 13.722,1070 1.094,1071 17.061,1072 2.857,1073 10.81,1074 13.441,1075 0.157,1076 21.445,1077 10.422,1078 3.593,1079 0.801,1080 19.01,1081 2.488,1082 11.94,1083 14.86,1084 0.125,1085 24.012,1086 11.464,1087 3.081,1088 14.227,1089 20.976,1090 1.926,1091 13.19,1092 16.448,1093 0.102,1094 26.655,1095 12.652,1096 2.994,1097 10.829,1098 22.955,1099 4.902,1100 14.387,1101 17.941,1102 0.082,1103 29.271,1104 13.762,1105 2.719,1106 9.624,1107 24.946,1108 4.365,1109 15.63,1110 19.505,1111 0.067,1112 31.916,1113 14.93,1114 2.473,1115 8.84,1116 26.947,1117 4.32,1118 16.859,1119 21.034,1120 0.054,1121 34.553,1122 16.071,1123 2.199,1124 8.289,1125 28.956,1126 3.785,1127 18.106,1128 22.594,1129 0.043,1130 37.201,1131 17.237,1132 1.703,1133 6.963,1134 30.971,1135 3.16,1136 19.352,1137 24.142,1138 0.035,1139 39.847,1140 18.394,1141 17379,1142 28008,1143 26.641,1144 43.961,1145 60.998,1146 61.623,1147 63.167,1148 60.907,1149 60.877,1150 84.407,1151 2.4,1152 183.048,1153 58.823,1154 5.86,1155 6.749,1156 7.539,1157 5.594,1158 5.593,1159 7.902,1160 1.2,1161 22.854,1162 5.323,1163 17.639,1164 1.525,1165 1.541,1166 1.579,1167 1.523,1168 1.522,1169 2.11,1170 0.06,1171 4.576,1172 1.471,1173 4.19,1174 4.189,1175 4.749,1176 4.17,1177 7.715,1178 4.124,1179 4.077,1180 4.098,1181 4.047,1182 4.031,1183 6.999,1184 4.028,1185 3.905,1186 3.929,1187 3.974,1188 3.822,1189 5.025,1190 3.793,1191 3.73,1192 3.74,1193 3.763,1194 3.655,1195 4.992,1196 3.611,1197 3.531,1198 3.615,1199 3.402,1200 3.369,1201 4.869,1202 3.364,1203 3.419,1204 3.481,1205 3.337,1206 3.256,1207 4.847,1208 3.238,1209 3.368,1210 3.427,1211 3.267,1212 3.223,1213 4.403,1214 3.215,1215 3.359,1216 3.397,1217 3.225,1218 3.193,1219 4.351,1220 3.183,1221 0.125,1222 0.119,1223 0.195,1224 0.113,1225 0.09,1226 5.006,1227 0.123,1228 4.749,1229 0.02,1230 7.784,1231 0.356,1232 4.522,1233 0.083,1234 3.593,1235 4.902,1236 0.8,1237 14.227,1238 3.323,1239 2.108,1240 2.105,1241 2.143,1242 2.161,1243 1.362,1244 2.18,1245 2.065,1246 2.045,1247 2.137,1248 2.131,1249 1.271,1250 2.136,1251 1.835,1252 1.811,1253 1.911,1254 1.972,1255 1.118,1256 1.975,1257 1.634,1258 1.628,1259 1.774,1260 1.794,1261 0.906,1262 1.808,1263 1.505,1264 1.436,1265 1.761,1266 1.738,1267 0.868,1268 1.753,1269 1.378,1270 1.301,1271 1.622,1272 1.575,1273 0.694,1274 1.611,1275 1.35,1276 1.294,1277 1.521,1278 1.516,1279 0.573,1280 1.533,1281 1.293,1282 1.278,1283 1.417,1284 1.458,1285 0.503,1286 1.485,1287 4.394,1289 5.746,1291 7.315,1293 8.983,1295 10.702,1297 3.883,1301 5.89,1303 0.292,1309 3.328,1314 41.518,1315 99.971,1316 216.692,1317 292.25,1318 344.304,1319 351.059,1320 351.059,1321 71.539,1322 8.512,1323 92.42,1324 100.8,1325 30,1326 13.047,1327 4.954,1328 4.087,1329 54.257,1330 152,1331 170,1332 0.169,1333 257.428,1334 433.43,1335 619.884,1336 68156,1338 25.286,1339 0.702,1340 0.583,1341 25.536,1342 20.982,1343 17.396,1344 0.435,1345 0.326,1346 11.599,1347 16.135,1348 11.129,1349 9.282,1350 18.185,1351 13.05,1352 15.985,1353 0.276,1354 0.183,1355 17.266,1356 10.589,1357 13.683,1358 0.169,1359 0.1,1360 15.008,1361 8.112,1362 12.001,1363 0.109,1364 0.056,1365 13.393,1366 6.155,1367 10.136,1368 0.071,1369 0.03,1370 11.381,1371 4.361,1372 0.263,1373 115.877,1374 0.194,1375 32.443,1376 0.476,1377 196,1378 528.224,1379 248.16,1380 544.929,1381 757.39,1382 506,1383 237,1384 541.499,1385 301.232,1386 595.926,1387 873.85,1388 558,1389 5.1}
{0 CHEMBL1967560,1 1.556,2 14.237,3 3.201,4 10.244,5 147.504,6 6.878,7 0.286,8 4.426,9 4.568,10 3.93,11 3.864,12 5.433,13 3.849,14 5.026,15 5.239,16 4.312,17 4.283,18 5.981,19 4.244,20 5.3,21 5.536,22 4.439,23 4.468,24 6.248,25 4.407,26 5.401,27 5.648,28 4.448,29 4.502,30 6.397,31 4.44,32 5.403,33 5.64,34 4.458,35 4.532,36 6.474,37 4.462,38 5.377,39 5.609,40 4.349,41 4.528,42 6.366,43 4.428,44 5.404,45 5.679,46 4.187,47 4.437,48 6.3,49 4.31,50 5.256,51 5.535,52 4.114,53 4.302,54 6.143,55 4.186,56 0.048,57 1.18,58 17.784,59 6.219,60 10.854,61 9.469,62 0.559,63 1.87,64 34.888,65 10.218,66 37.776,67 16.198,68 0.582,69 2.281,70 46.445,71 13.193,72 51.234,73 21.339,74 0.707,75 2.365,76 52.507,77 13.899,78 79.215,79 22.543,80 1.092,81 2.383,82 52.78,83 14.459,84 111.508,85 22.873,86 0.62,87 2.348,88 50.223,89 15.267,90 78.875,91 23.788,92 0.784,93 2.202,94 53.202,95 14.479,96 87.586,97 23.704,98 0.815,99 1.88,100 46.109,101 13.152,102 77.538,103 20.87,104 41,105 60,106 0.241,107 0.546,108 0.767,109 0.843,110 0.843,111 0.843,112 3.668,113 0.968,114 -4.35,115 -4.28,116 -4.04,119 35.5,120 1,121 6,124 3,125 3,127 2,142 3,143 1,144 3,145 1,147 1,150 1,158 1,159 1,166 1,172 6,174 5,175 7,178 3,180 4,183 6,187 5,188 9,191 1,193 4,196 1,199 1,200 12,203 2,205 2,208 2,212 6,213 11,216 3,221 6,224 1,225 10,228 1,229 1,230 2,233 4,237 1,238 11,241 1,243 3,249 4,250 6,253 2,255 2,258 2,263 1,264 5,272 7,276 2746,277 25.825,278 25.825,279 25.825,280 25.825,281 25.825,282 24.229,283 45.066,284 14.896,285 26.57,286 20.56,287 20.56,288 20.56,289 20.56,290 20.56,291 17.857,292 77.376,293 6.879,294 21.611,295 4.692,296 2.724,297 1.293,298 0.803,299 0.803,300 0.803,301 4.37,307 1181,308 3.674,311 95.957,312 491.975,316 184.801,319 2.488,320 38.592,323 0.5,324 0.67,325 0.67,326 0.8,327 1,328 0.67,329 1,330 0.76,331 83,332 541,333 4.556,334 3.876,335 7.095,336 4.308,337 3.364,338 4.074,339 1.701,340 12.265,341 3.168,342 4.337,343 3.579,344 6.265,345 3.962,346 2.987,347 3.964,348 1.058,349 9.475,350 2.92,351 3.977,352 3.183,353 6.218,354 3.684,355 2.725,356 3.31,357 0.86,358 9.008,359 2.605,360 3.85,361 3.097,362 6.021,363 3.624,364 2.668,365 3.169,366 0.8,367 8.455,368 2.548,369 3.738,370 2.818,371 5.936,372 3.512,373 2.565,374 2.805,375 0.563,376 8.238,377 2.429,378 3.571,379 2.802,380 5.392,381 3.418,382 2.453,383 2.7,384 0.4,385 7.057,386 2.357,387 3.437,388 2.463,389 5.302,390 3.1,391 2.167,392 2.588,393 0.4,394 6.625,395 2.018,396 3.096,397 2.306,398 5.09,399 2.977,400 2.038,401 2.138,402 0.075,403 5.761,404 1.907,405 3.081,406 2.172,407 4.893,408 2.922,409 1.97,410 2.13,412 5.676,413 1.86,414 2.887,415 1.938,416 4.347,417 2.467,418 1.527,419 2.022,421 4.065,422 1.428,423 2.714,424 1.816,425 4.146,426 2.278,427 1.272,428 1.692,430 3.349,431 1.269,432 2.586,433 1.685,434 4.044,435 2.16,436 1.206,437 1.593,439 3.124,440 1.145,441 2.177,442 1.257,443 3.827,444 2.094,445 1.128,446 1.169,448 2.618,449 1.087,450 2,451 1.14,452 3.414,453 1.984,454 1,455 1,457 2.275,458 0.983,459 1.992,460 1.077,461 3.31,462 1.639,463 0.66,464 0.786,466 1.372,467 0.638,468 17.7,469 0.466,470 0.955,471 0.025,472 43.5,473 1.145,474 17,475 0.447,476 26.5,477 0.697,478 41.757,479 1.099,480 43.5,481 0.572,482 37.566,483 0.989,484 8.04,485 0.212,486 10.349,487 0.272,488 0.151,490 0.373,496 0.792,497 1.702,498 0.846,499 1.345,500 0.563,501 1.132,502 0.863,503 1.116,504 0.872,505 0.953,506 0.522,507 0.912,508 0.908,509 1.184,510 0.92,511 1.057,512 0.734,513 0.989,514 1.294,515 1.065,516 0.992,517 0.942,518 1.338,519 0.915,520 1.192,521 0.923,522 1.06,523 0.906,524 1.454,525 0.951,526 1.081,527 1.218,528 1.139,529 1.213,530 1.273,531 1.191,532 1.108,533 0.998,534 1.076,535 0.98,536 1.095,537 1.012,538 0.954,539 0.807,540 0.916,541 0.838,542 0.789,543 0.867,544 7.5,545 0.307,546 4.667,547 2.903,548 3.186,549 1.576,550 1.003,551 0.777,552 0.502,553 0.385,554 23285,555 52203,556 2.081,557 50,558 4,559 20,561 1,562 2,564 7,565 4,567 1.787,568 1.932,569 3.72,570 0.201,577 118.284,578 1.556,579 3.524,580 4.954,581 5.445,582 5.445,583 5.445,584 3.242,585 4.86,586 5.218,587 3.97,588 2790.61,589 9.189,590 46312.4,595 474.842,596 1.462,597 5.171,598 0.179,599 0.007,600 0.078,601 0.044,602 0.048,603 0.024,604 0.017,605 0.016,606 0.011,607 0.008,608 0.433,609 0.17,610 0.63,611 0.782,612 211.289,613 0.008,614 -0.342,615 0.081,616 -0.153,618 -0.045,619 0.124,620 0.07,621 0.109,622 0.077,623 0.113,624 0.084,625 0.05,626 -0.079,627 0.062,628 -0.052,629 0.073,631 -0.124,632 -0.024,633 0.021,634 0.024,635 -0.067,636 0.046,637 0.034,638 0.139,639 -0.045,640 0.07,641 -0.016,642 0.011,643 -0.079,644 -0.147,645 -0.163,646 -0.176,647 -0.107,648 -0.183,649 -0.099,650 -0.031,651 -0.081,652 -0.023,653 -0.105,654 -0.044,655 0.067,656 0.136,657 0.081,658 0.124,659 0.037,660 0.107,661 1.769,662 6.06,663 0.711,664 45.526,665 1.001,666 1.143,667 3.119,668 9.73,669 0.629,670 3.761,671 4.111,672 4.431,673 4.718,674 4.984,675 5.106,676 5.242,677 5.366,678 5.481,679 5.568,680 8.367,681 0.595,682 522.73,683 3.761,684 5.323,685 6.196,686 7.093,687 7.985,688 8.888,689 9.788,690 10.694,691 11.599,692 12.508,693 10.5,696 1,699 1,700 3,701 1,703 2,709 4,710 2,714 6,716 12,723 1,728 1,733 1,735 76,737 14,738 1,739 42,741 80,742 27,743 10,744 3,745 3,746 1,748 5,749 6,753 1,754 1,757 8,760 8,762 12,763 15,767 2,772 2,776 2,783 38,784 11,785 2,786 11,792 8,795 1,797 0.8,798 3,810 1,815 1,816 4,820 1,839 1,843 4,847 4,851 38,858 9,860 2,861 1,863 2,864 4,874 3.9,877 2,879 1,881 19.667,882 14.7,883 8.417,884 4.918,886 2.423,887 1.283,888 0.964,889 8.264,890 10.981,891 3.932,892 4.454,893 4.98,894 5.488,895 6.014,896 6.284,897 6.639,898 6.973,899 7.322,900 7.645,901 1,902 66,903 14.167,905 6.066,906 7.658,907 27.473,909 22.958,911 2.158,912 82,916 423.76,917 122.651,918 81.845,920 61.29,923 122.651,924 485.049,925 81.845,926 36.501,927 45.661,928 28.429,929 100.337,930 58.127,931 8.503,932 411.989,934 423.76,935 204.496,936 61.29,939 294.278,940 190.772,943 86.568,944 84.357,945 33.571,947 423.76,948 143.135,949 122.651,952 423.76,953 48.674,954 86.229,955 36.022,956 94.861,957 423.76,958 143.135,959 122.651,961 0.584,962 0.359,963 0.198,964 0.11,965 29,966 14,967 0.088,968 7,969 1,970 1.074,971 4.677,972 384.045,973 0.074,974 27,975 191.421,981 26.975,982 11.641,983 5.588,985 143.135,986 7.02,987 9.364,991 3.522,993 36.022,994 689.546,995 50,1000 25.964,1004 -0.18,1007 76.05,1008 86.843,1009 0.249,1010 0.564,1011 0.793,1012 0.871,1013 0.871,1014 0.871,1015 5.215,1016 2.038,1017 6.196,1018 6.625,1019 4.796,1020 5.142,1021 2.465,1022 7.048,1023 4.701,1024 6.389,1025 1.97,1026 7.784,1027 5.761,1028 4.443,1029 4.956,1030 1.404,1031 8.03,1032 4.296,1033 7.692,1034 1.527,1035 9.47,1036 5.676,1037 6.431,1038 7.203,1039 2.802,1040 11.165,1041 6.241,1042 9.025,1043 1.272,1044 11.215,1045 4.065,1046 6.899,1047 7.827,1048 2.498,1049 12.979,1050 6.657,1051 10.392,1052 1.206,1053 12.998,1054 3.349,1055 8.353,1056 9.586,1057 3.512,1058 15.661,1059 8.067,1060 11.78,1061 1.128,1062 14.808,1063 3.124,1064 9.192,1065 10.576,1066 3.613,1067 17.843,1068 8.852,1069 13.187,1070 1,1071 16.638,1072 2.618,1073 10.452,1074 12.145,1075 4.407,1076 20.386,1077 10.065,1078 3.364,1079 0.66,1080 18.484,1081 2.275,1082 11.468,1083 13.319,1084 4.718,1085 22.741,1086 11.025,1087 2.987,1088 12.265,1089 20.344,1090 1.372,1091 12.661,1092 14.802,1093 5.391,1094 25.245,1095 12.166,1096 2.725,1097 9.475,1098 22.215,1099 4.074,1100 13.764,1101 16.073,1102 5.808,1103 27.68,1104 13.21,1105 2.668,1106 9.008,1107 24.096,1108 3.964,1109 14.941,1110 17.512,1111 6.416,1112 30.176,1113 14.331,1114 2.565,1115 8.455,1116 25.986,1117 3.31,1118 16.087,1119 18.837,1120 6.887,1121 32.648,1122 15.416,1123 2.453,1124 8.238,1125 27.884,1126 3.169,1127 17.265,1128 20.254,1129 7.46,1130 35.146,1131 16.535,1132 2.167,1133 7.057,1134 29.789,1135 2.805,1136 18.435,1137 21.608,1138 7.96,1139 37.636,1140 17.642,1141 21931,1142 33098,1143 27.857,1144 47.83,1145 63.096,1146 65.109,1147 66.159,1148 62.846,1149 62.777,1150 73.874,1151 11.716,1152 185.722,1153 59.883,1154 5.556,1155 5.876,1156 6.69,1157 5.391,1158 5.364,1159 7.074,1160 2.972,1161 20.265,1162 5.168,1163 20.817,1164 1.502,1165 1.55,1166 1.575,1167 1.496,1168 1.495,1169 1.759,1170 0.279,1171 4.422,1172 1.426,1173 4.038,1174 4.09,1175 3.995,1176 3.894,1177 7.431,1178 3.908,1179 3.932,1180 3.974,1181 3.882,1182 3.796,1183 7.426,1184 3.809,1185 3.845,1186 3.904,1187 3.73,1188 3.689,1189 5.011,1190 3.69,1191 3.782,1192 3.838,1193 3.665,1194 3.64,1195 4.811,1196 3.645,1197 3.564,1198 3.635,1199 3.485,1200 3.338,1201 4.401,1202 3.354,1203 3.419,1204 3.486,1205 3.329,1206 3.169,1207 4.373,1208 3.199,1209 3.337,1210 3.422,1211 3.175,1212 3.074,1213 4.323,1214 3.092,1215 3.241,1216 3.314,1217 3.054,1218 2.978,1219 4.143,1220 2.983,1221 0.108,1222 0.092,1223 0.169,1224 0.103,1225 0.08,1226 4.556,1227 0.097,1228 3.876,1229 0.041,1230 7.095,1231 0.292,1232 4.308,1233 0.075,1234 3.364,1235 4.074,1236 1.701,1237 12.265,1238 3.168,1239 1.921,1240 1.896,1241 2.051,1242 2.089,1243 1.4,1244 2.063,1245 1.839,1246 1.785,1247 1.982,1248 2.045,1249 1.246,1250 2.037,1251 1.809,1252 1.752,1253 1.931,1254 1.974,1255 1.211,1256 1.97,1257 1.577,1258 1.507,1259 1.86,1260 1.764,1261 1.095,1262 1.793,1263 1.553,1264 1.489,1265 1.786,1266 1.751,1267 1.014,1268 1.766,1269 1.49,1270 1.415,1271 1.758,1272 1.698,1273 0.876,1274 1.727,1275 1.331,1276 1.264,1277 1.61,1278 1.622,1279 0.825,1280 1.614,1281 1.274,1282 1.188,1283 1.571,1284 1.568,1285 0.745,1286 1.57,1287 4.443,1289 5.784,1290 2.398,1291 7.326,1292 4.443,1293 8.965,1294 6.293,1295 10.659,1297 7.415,1303 8.744,1305 6.414,1306 5.617,1308 0.41,1309 7.711,1314 45.218,1315 118.284,1316 267.823,1317 376.539,1318 413.823,1319 413.823,1320 413.823,1321 76.221,1322 8.557,1323 111.24,1324 111.24,1325 29,1326 13.025,1327 3.907,1328 3.17,1329 59.237,1330 193,1331 224,1332 0.15,1333 275.721,1334 485.31,1335 664.518,1336 69646,1338 26.811,1339 0.706,1340 0.598,1341 26.811,1342 22.736,1343 18.389,1344 0.438,1345 0.323,1346 13.302,1347 17.463,1348 12.943,1349 10.759,1350 18.389,1351 13.551,1352 16.495,1353 0.275,1354 0.172,1355 16.495,1356 10.334,1357 14.634,1358 0.176,1359 0.094,1360 14.634,1361 7.83,1362 12.164,1363 0.11,1364 0.05,1365 12.164,1366 5.599,1367 9.969,1368 0.069,1369 0.026,1370 9.969,1371 3.735,1372 0.238,1373 116.637,1374 0.189,1375 34.488,1376 0.402,1377 204,1378 573.743,1379 229.569,1380 544.818,1381 754.16,1382 512,1383 245,1384 570.477,1385 273.346,1386 571.702,1387 846.03,1388 536,1389 5.1}
{0 CHEMBL1967564,1 1.571,2 8.316,3 2.361,4 5.573,5 69.818,6 7.707,7 0.714,8 3.614,9 3.743,10 3.215,11 3.163,12 4.754,13 3.153,14 4.113,15 4.284,16 3.563,17 3.534,18 5.236,19 3.499,20 4.324,21 4.544,22 3.56,23 3.564,24 5.418,25 3.518,26 4.261,27 4.493,28 3.436,29 3.443,30 5.39,31 3.396,32 4.104,33 4.313,34 3.312,35 3.292,36 5.324,37 3.262,38 3.997,39 4.224,40 3.129,41 3.185,42 5.106,43 3.124,44 3.901,45 4.155,46 2.823,47 3.05,48 4.899,49 2.948,50 3.752,51 4.011,52 2.567,53 2.885,54 4.764,55 2.752,56 0.053,57 0.526,58 6.303,59 2.72,60 5.474,61 3.567,62 0.143,63 0.817,64 11.549,65 4.666,66 15.601,67 6.396,68 0.227,69 0.924,70 16.238,71 5.392,72 30.383,73 7.555,74 0.275,75 0.845,76 15.66,77 4.696,78 32.454,79 6.723,80 0.252,81 0.712,82 13.159,83 3.863,84 36.52,85 5.281,86 0.195,87 0.656,88 11.693,89 3.488,90 24.524,91 5.062,92 0.155,93 0.566,94 11.042,95 3.342,96 17.033,97 4.866,98 0.123,99 0.45,100 9.789,101 3.353,102 19.191,103 4.74,104 9,105 29,106 0.289,107 0.666,108 0.802,109 0.867,110 0.878,111 0.878,112 3.011,113 0.902,114 -3.54,115 -3.52,116 -3.36,119 42.4,120 1,121 2,142 5,143 2,146 1,149 1,153 1,158 1,168 1,172 8,174 1,175 5,178 1,179 1,180 3,183 7,188 5,191 2,193 3,196 5,200 5,203 2,205 4,208 4,212 1,213 4,218 4,221 3,224 1,225 4,230 5,233 3,238 3,243 1,246 3,250 3,258 4,264 1,272 4,276 408,277 13.093,278 13.093,279 13.093,280 13.093,281 13.093,282 11.266,283 8.052,284 7.893,285 13.244,286 10.368,287 10.368,288 10.368,289 10.368,290 10.368,291 7.549,292 10.484,293 3.701,294 10.608,295 3.473,296 1.42,297 0.678,298 0.326,299 0.265,300 0.265,301 3.693,305 1,306 1,307 340,308 2.915,311 31.328,312 73.679,315 53.293,316 62.057,319 1.385,320 15.789,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 41,332 158,333 4.633,334 3.598,335 6.602,336 4.126,337 3.158,338 4.66,339 1.907,340 10.586,341 3.058,342 4.163,343 3.146,344 6.062,345 3.683,346 2.706,347 3.942,348 0.149,349 8.767,350 2.641,351 3.662,352 2.689,353 5.271,354 3.331,355 2.326,356 2.919,358 6.565,359 2.329,360 3.332,361 1.982,362 4.869,363 2.821,364 1.868,365 2.675,367 5.464,368 1.772,369 3.023,370 1.633,371 4.48,372 2.549,373 1.569,374 2.252,376 4.382,377 1.535,378 2.869,379 1.407,380 3.907,381 2.376,382 1.393,383 2.035,385 3.071,386 1.367,387 2.615,388 1.353,389 3.617,390 2.098,391 1.116,392 1.672,394 2.851,395 1.094,396 2.129,397 1.116,398 3.182,399 2.016,400 1.011,401 1.083,403 1.722,404 1.011,405 1.917,406 0.666,407 2.973,408 1.432,409 0.457,410 0.651,412 1.071,413 0.444,414 1.138,415 0.306,416 2.662,417 0.734,418 -0.227,419 -0.276,421 -0.516,422 -0.217,423 1.007,424 -0.06,425 2.352,426 0.486,427 -0.489,428 -0.693,430 -0.995,431 -0.476,432 0.728,433 -0.487,434 2,435 0.456,436 -0.584,437 -0.745,439 -1.37,440 -0.593,441 0.605,442 -0.623,443 2,444 0.203,445 -0.794,446 -1.159,448 -2.01,449 -0.794,450 0.453,451 -1.029,452 1.865,453 -0.055,454 -1.043,455 -1.561,457 -2.806,458 -1.033,459 0.028,460 -1.152,461 1.41,462 -0.41,463 -1.397,464 -1.827,466 -3.502,467 -1.372,468 8.933,469 0.47,470 0.397,471 0.021,472 26.25,473 1.382,474 14,475 0.737,476 12.25,477 0.645,478 12.314,479 0.648,480 19.867,481 0.602,482 16.299,483 0.858,484 5.045,485 0.266,486 4.23,487 0.223,488 0.093,490 0.336,496 0.708,497 1.149,498 0.75,499 0.975,500 0.572,501 0.881,502 0.523,503 1.167,504 0.761,505 1.071,506 0.543,507 0.975,508 1.079,509 1.062,510 0.885,511 0.929,512 1.12,513 0.89,514 1.206,515 0.976,516 0.977,517 0.87,518 1.18,519 0.878,520 1.649,521 1.071,522 1.103,523 0.909,524 1.78,525 0.923,526 1.178,527 1.149,528 1.131,529 1.038,530 0.963,531 1.058,532 1.197,533 0.896,534 1.235,535 1,536 0.867,537 1.08,538 1.088,539 0.837,540 1.138,541 1.056,542 1.151,543 1.098,544 3.5,545 0.021,546 2,547 1.167,548 1.062,549 0.521,550 0.238,551 0.218,552 0.086,553 0.057,554 3190,555 8330,556 2.113,557 42.4,558 5,559 5,562 2,563 2,567 1.603,568 2,569 3.049,570 0.393,572 1,573 1,574 1,577 51.859,578 1.571,579 3.624,580 4.367,581 4.718,582 4.779,583 4.779,584 2.55,585 4.248,586 4.214,587 3.141,588 537.149,589 7.183,590 5150.03,591 1,592 1,594 1,595 166.465,596 1.324,597 4.189,598 0.167,599 0.007,600 0.069,601 0.042,602 0.044,603 0.025,604 0.014,605 0.018,606 0.01,607 0.009,608 0.404,609 0.67,610 1,611 1.46,612 81.722,613 0.01,614 0.028,615 0.041,616 0.029,617 -0.037,618 0.037,619 0.235,620 -0.083,621 0.099,622 -0.074,623 0.091,624 -0.027,625 -0.024,626 -0.065,627 0.083,628 0.025,629 -0.07,630 0.057,631 -0.038,632 0.027,633 0.017,634 0.051,635 -0.042,636 0.047,637 -0.194,638 -0.065,639 -0.105,640 0.006,641 -0.124,642 -0.029,643 -0.089,644 -0.123,645 -0.159,646 -0.127,647 -0.003,648 -0.146,649 -0.24,650 0.089,651 -0.247,652 -0.074,653 -0.074,654 -0.132,655 -0.129,656 0.043,657 -0.131,658 -0.062,659 -0.041,660 -0.084,661 1.679,662 4.638,663 0.684,664 14.022,665 1.005,666 1.13,667 2.315,668 5.357,669 0.675,670 3.091,671 3.401,672 3.689,673 3.989,674 4.22,675 4.331,676 4.489,677 4.595,678 4.575,679 4.431,680 4.825,681 0.65,682 254.32,683 3.091,684 4.615,685 5.468,686 6.351,687 7.229,688 8.123,689 9.012,690 9.912,691 10.807,692 11.709,693 12.1,700 1,701 1,703 2,708 4,709 5,710 2,711 1,714 1,716 15,735 33,737 16,738 1,739 21,741 35,742 14,743 10,744 2,745 4,748 3,749 6,754 1,760 2,762 11,763 3,767 1,772 1,776 1,780 1,783 14,784 4,785 2,786 5,792 4,797 0.333,798 1,807 1,809 1,815 1,816 2,819 1,820 1,829 1,843 1,847 1,851 19,858 2,860 1,874 3,877 1,881 9.5,882 6.233,883 4.25,884 2.158,886 3.342,887 1.492,888 1.019,889 3.077,890 10.138,891 3.418,892 4.082,893 4.75,894 5.445,895 6.072,896 6.541,897 7.068,898 7.543,899 7.838,900 7.97,901 0.833,902 28,903 6.995,905 2.963,906 7.763,907 13.321,909 10.837,911 2.263,912 43,913 0.001,916 141.253,917 77.313,918 68.122,920 25.145,923 77.313,924 166.398,925 68.122,926 8.825,927 23.08,928 47.381,929 63.298,930 27.996,932 141.253,934 141.253,935 145.436,936 25.145,939 142.969,940 25.145,943 53.04,944 57.232,945 33.449,947 141.253,948 93.267,949 77.313,952 141.253,953 21.107,954 56.206,955 34.674,956 58.593,957 141.253,958 93.267,959 77.313,961 0.569,962 0.332,963 0.189,964 0.101,965 15,966 6,967 0.086,968 3,969 2,970 1.308,971 3.177,972 141.399,973 0.308,974 13,975 80.711,981 11.969,982 4.884,983 2.259,984 3.379,985 76.604,986 9.83,987 8.589,988 2.833,991 0.617,993 34.674,994 311.834,995 29.5,1000 11.638,1004 -0.013,1007 33.153,1008 37.279,1009 0.312,1010 0.718,1011 0.866,1012 0.935,1013 0.947,1014 0.947,1015 4.623,1016 1.011,1017 5.442,1018 2.851,1019 4.078,1020 4.766,1021 1.953,1022 6.256,1023 4.03,1024 5.848,1025 0.457,1026 6.995,1027 1.722,1028 3.611,1029 4.677,1030 1.593,1031 7.14,1032 3.544,1033 7.171,1034 -0.227,1035 8.649,1036 1.071,1037 5.659,1038 7.111,1039 2.904,1040 10.263,1041 5.556,1042 8.536,1043 -0.489,1044 10.365,1045 -0.516,1046 6.043,1047 7.896,1048 3.032,1049 11.998,1050 5.913,1051 9.936,1052 -0.584,1053 12.12,1054 -0.995,1055 7.544,1056 9.786,1057 4.037,1058 14.618,1059 7.382,1060 11.361,1061 -0.794,1062 13.902,1063 -1.37,1064 8.33,1065 10.976,1066 4.409,1067 16.705,1068 8.135,1069 12.806,1070 -1.043,1071 15.704,1072 -2.01,1073 9.605,1074 12.647,1075 5.25,1076 19.149,1077 9.379,1078 3.158,1079 -1.397,1080 17.521,1081 -2.806,1082 10.58,1083 14.022,1084 5.75,1085 21.385,1086 10.319,1087 2.706,1088 10.586,1089 19.349,1090 -3.502,1091 11.765,1092 15.604,1093 6.501,1094 23.766,1095 11.472,1096 2.326,1097 8.767,1098 21.186,1099 4.66,1100 12.828,1101 17.064,1102 7.068,1103 26.065,1104 12.498,1105 1.868,1106 6.565,1107 23.03,1108 3.942,1109 13.98,1110 18.612,1111 7.771,1112 28.425,1113 13.617,1114 1.569,1115 5.464,1116 24.879,1117 2.919,1118 15.083,1119 20.109,1120 8.374,1121 30.754,1122 14.685,1123 1.393,1124 4.382,1125 26.734,1126 2.675,1127 16.225,1128 21.645,1129 9.051,1130 33.107,1131 15.793,1132 1.116,1133 3.071,1134 28.592,1135 2.252,1136 17.348,1137 23.161,1138 9.674,1139 35.449,1140 16.881,1141 3156,1142 5210,1143 14.216,1144 22.284,1145 31.397,1146 32.098,1147 32.21,1148 31.206,1149 31.207,1150 43.778,1151 4.112,1152 88.959,1153 30.5,1154 5.48,1155 5.598,1156 6.374,1157 5.174,1158 5.158,1159 7.66,1160 3.306,1161 17.457,1162 5.058,1163 7.586,1164 1.495,1165 1.528,1166 1.534,1167 1.486,1168 1.486,1169 2.085,1170 0.196,1171 4.236,1172 1.452,1173 4.159,1174 4.197,1175 4.133,1176 4.057,1177 7.429,1178 4.069,1179 3.786,1180 3.834,1181 3.727,1182 3.639,1183 5.17,1184 3.655,1185 3.652,1186 3.712,1187 3.53,1188 3.5,1189 4.725,1190 3.494,1191 3.243,1192 3.311,1193 3.092,1194 3.003,1195 4.161,1196 3.017,1197 3.062,1198 3.132,1199 2.956,1200 2.9,1201 4.082,1202 2.906,1203 2.985,1204 3.05,1205 2.892,1206 2.805,1207 3.971,1208 2.816,1209 2.642,1210 2.765,1211 2.442,1212 2.374,1213 3.74,1214 2.381,1215 2.463,1216 2.546,1217 2.266,1218 2.236,1219 3.35,1220 2.234,1221 0.221,1222 0.171,1223 0.314,1224 0.196,1225 0.15,1226 4.633,1227 0.222,1228 3.598,1229 0.091,1230 6.602,1231 0.504,1232 4.126,1233 0.146,1234 3.158,1235 4.66,1236 1.907,1237 10.586,1238 3.058,1239 2.045,1240 2.022,1241 2.114,1242 2.125,1243 1.234,1244 2.123,1245 1.691,1246 1.636,1247 1.936,1248 1.9,1249 1.174,1250 1.904,1251 1.531,1252 1.492,1253 1.664,1254 1.715,1255 0.779,1256 1.701,1257 1.325,1258 1.239,1259 1.484,1260 1.604,1261 0.547,1262 1.582,1263 1.095,1264 1.024,1265 1.357,1266 1.393,1267 0.308,1268 1.391,1269 0.938,1270 0.875,1271 1.186,1272 1.122,1273 0.237,1274 1.148,1275 0.74,1276 0.689,1277 0.973,1278 0.976,1280 0.995,1281 0.505,1282 0.402,1283 0.84,1284 0.794,1286 0.808,1287 3.761,1289 5.069,1290 2.398,1291 6.581,1292 4.727,1293 8.193,1294 6.823,1295 9.861,1297 1.972,1303 1.32,1305 2.834,1314 21.434,1315 51.859,1316 119.594,1317 144.1,1318 155.71,1319 157.71,1320 157.71,1321 24.82,1322 6.797,1323 70.67,1324 70.67,1325 17,1326 12.231,1327 4.087,1328 3.248,1329 27.811,1330 54,1331 63,1332 0.262,1333 133.565,1334 215.29,1335 317.658,1336 7098,1338 13.242,1339 0.697,1340 0.558,1341 13.242,1342 10.604,1343 9.275,1344 0.442,1345 0.301,1346 6.238,1347 8.955,1348 6.097,1349 5.105,1350 9.275,1351 6.314,1352 8.167,1353 0.282,1354 0.153,1355 8.167,1356 4.449,1357 6.853,1358 0.176,1359 0.077,1360 6.853,1361 2.988,1362 5.982,1363 0.113,1364 0.039,1365 5.982,1366 2.068,1367 4.722,1368 0.07,1369 0.02,1370 4.722,1371 1.316,1372 0.398,1373 57.953,1374 0.265,1375 18.844,1376 0.751,1377 100,1378 291.691,1379 109.874,1380 286.426,1381 397.81,1382 268,1383 118,1384 303.158,1385 128.126,1386 305.77,1387 447.94,1388 289,1389 5.1}
{0 CHEMBL1967720,1 1.759,2 15.474,3 3.569,4 12.735,5 146.818,6 8.543,7 0.643,8 4.247,9 4.366,10 3.949,11 3.83,12 5.483,13 3.813,14 4.725,15 4.869,16 4.357,17 4.236,18 5.985,19 4.203,20 4.986,21 5.153,22 4.439,23 4.377,24 6.227,25 4.329,26 5.132,27 5.335,28 4.483,29 4.422,30 6.385,31 4.345,32 5.095,33 5.316,34 4.331,35 4.341,36 6.241,37 4.242,38 4.866,39 5.064,40 4.2,41 4.191,42 6.126,43 4.122,44 4.828,45 5.019,46 4.204,47 4.208,48 5.978,49 4.124,50 4.926,51 5.137,52 4.211,53 4.225,54 6.087,55 4.122,56 0.15,57 1.051,58 10.45,59 5.204,60 17.249,61 5.907,62 0.355,63 1.646,64 20.05,65 9.182,66 45.987,67 10.88,68 0.547,69 2.055,70 26.883,71 11.126,72 59.287,73 12.585,74 0.755,75 2.249,76 37.939,77 13.462,78 97.346,79 16.048,80 0.695,81 2.086,82 43.647,83 14.463,84 89.547,85 17.091,86 0.587,87 1.703,88 28.304,89 10.72,90 92.28,91 13.156,92 0.378,93 1.692,94 24.791,95 10.323,96 48.19,97 12.684,98 0.526,99 1.813,100 37.166,101 12.813,102 57.613,103 15.144,104 52,105 62,106 0.277,107 0.638,108 0.775,109 0.846,110 0.858,111 0.863,112 3.668,113 0.89,114 -4.25,115 -4.19,116 -3.96,119 43.5,120 2,130 1,142 8,143 5,144 3,145 2,147 1,151 2,152 1,158 1,159 1,163 2,164 2,165 2,166 1,172 9,175 6,177 2,178 4,179 1,180 5,183 15,185 1,187 1,188 8,190 1,191 1,193 6,196 11,198 3,199 1,200 6,202 1,203 1,205 9,208 8,210 3,212 2,213 10,218 8,221 7,223 4,225 7,230 6,233 8,235 3,238 5,240 2,241 2,243 2,246 12,249 1,250 7,252 1,253 2,254 1,255 4,257 1,258 8,260 2,264 6,269 5,272 7,274 3,276 3014,277 25.081,278 25.081,279 25.081,280 25.081,281 25.081,282 21.634,283 24.903,284 14.293,285 25.554,286 20.684,287 20.684,288 20.684,289 20.684,290 20.684,291 15.444,292 35.532,293 6.738,294 21.479,295 4.195,296 1.904,297 1.037,298 0.585,299 0.508,300 0.476,301 4.366,307 1272,308 4.416,311 192.764,312 375.649,315 169.53,319 2.632,320 44.9,323 0.5,324 0.5,325 0.67,326 0.4,328 0.5,329 0.5,330 0.44,331 83,332 588,333 4.755,334 4.036,335 7.62,336 4.468,337 3.495,338 4.726,339 1.934,340 13.303,341 3.399,342 4.618,343 3.563,344 7.012,345 4.275,346 3.307,347 4.036,348 1.656,349 11.975,350 3.2,351 4.182,352 3.326,353 6.345,354 3.82,355 2.83,356 3.731,357 0.247,358 9.619,359 2.801,360 4.079,361 2.947,362 5.775,363 3.691,364 2.725,365 3.66,366 0.148,367 7.88,368 2.621,369 3.961,370 2.931,371 5.616,372 3.543,373 2.57,374 3.445,376 7.667,377 2.496,378 3.712,379 2.741,380 5.41,381 3.327,382 2.357,383 3.057,385 7.062,386 2.275,387 3.487,388 2.549,389 5.361,390 3.059,391 2.097,392 2.852,394 6.152,395 2.01,396 3.462,397 2.326,398 4.994,399 2.985,400 2.048,401 2.765,403 5.71,404 1.922,405 3.231,406 2.272,407 4.901,408 2.757,409 1.815,410 2.499,412 5.106,413 1.69,414 3.128,415 2.019,416 4.564,417 2.662,418 1.693,419 2.314,421 4.65,422 1.608,423 2.876,424 1.704,425 4.448,426 2.415,427 1.414,428 1.96,430 3.982,431 1.403,432 2.658,433 1.275,434 4.078,435 2.172,436 1.183,437 1.73,439 2.988,440 1.166,441 2.563,442 1.216,443 3.758,444 2.062,445 1.091,446 1.586,448 2.586,449 1.049,450 2.5,451 1.066,452 3.556,453 2,454 1,455 1.5,457 2.54,458 1,459 2.423,460 1,461 3.479,462 1.951,463 1,464 1.351,466 2.275,467 0.94,468 18.086,469 0.476,470 1.215,471 0.032,472 53,473 1.395,474 28.5,475 0.75,476 24.5,477 0.645,478 33.032,479 0.869,480 39.514,481 0.637,482 45.675,483 1.202,484 10.4,485 0.274,486 7.729,487 0.203,488 0.152,489 0.028,490 0.354,494 1,496 0.727,497 0.98,498 0.713,499 0.814,500 0.672,501 0.782,502 0.548,503 1.005,504 0.739,505 0.912,506 0.484,507 0.836,508 1.116,509 1.055,510 0.989,511 0.948,512 1.006,513 1.015,514 0.992,515 0.944,516 1.039,517 0.99,518 0.994,519 0.998,520 0.979,521 0.934,522 1.25,523 1.138,524 0.947,525 1.002,526 0.738,527 0.937,528 0.938,529 0.978,530 0.718,531 0.977,532 0.711,533 0.974,534 0.933,535 1.033,536 0.679,537 1.082,538 0.678,539 0.974,540 1.318,541 1.321,542 0.632,543 1.102,544 9.5,545 0.236,546 5.333,547 2.931,548 2.354,549 1.605,550 0.982,551 0.683,552 0.572,553 0.489,554 24650,555 77411,556 2.059,557 38.7,559 8,560 2,561 2,562 6,564 6,567 1.784,568 1.892,569 3.881,570 3.025,577 109.088,578 1.759,579 4.05,580 4.918,581 5.369,582 5.446,583 5.478,584 3.389,585 4.912,586 5.214,587 4.106,588 2886.41,589 9.166,590 49340,595 369.16,596 1.636,597 5.156,598 0.226,599 0.007,600 0.086,601 0.046,602 0.038,603 0.03,604 0.019,605 0.014,606 0.012,607 0.012,608 0.489,610 0.75,611 0.864,612 213.682,613 -0.082,614 0.072,615 0.026,616 0.114,617 -0.12,618 0.087,619 0.149,620 0.01,621 0.111,622 0.07,623 0.123,624 0.089,625 -0.167,626 -0.015,627 -0.128,628 -0.012,629 -0.114,630 -0.109,631 -0.065,632 -0.001,633 -0.01,634 0.016,635 -0.065,636 -0.027,637 -0.082,638 -0.017,639 -0.054,640 -0.025,641 -0.063,642 0.032,643 0.08,644 -0.026,645 0.004,646 0.002,647 0.101,648 0.009,649 -0.03,650 -0.033,651 -0.025,652 -0.051,653 -0.056,654 -0.1,655 0.062,656 -0.051,657 -0.093,658 -0.162,659 0.05,660 -0.059,661 2.233,662 5.356,663 0.684,664 54.155,665 1.015,666 1.127,667 3.023,668 9.139,669 0.7,670 3.761,671 4.143,672 4.431,673 4.691,674 4.898,675 5.063,676 5.215,677 5.407,678 5.545,679 5.68,680 9.046,681 0.676,682 529.65,683 3.761,684 5.342,685 6.213,686 7.116,687 8.005,688 8.912,689 9.809,690 10.72,691 11.623,692 12.537,693 11.3,697 1,700 3,701 1,703 2,708 2,709 12,710 2,713 1,714 8,715 1,716 27,727 1,734 1,735 62,737 29,738 2,739 42,741 66,742 27,743 22,744 4,745 8,748 5,749 6,753 1,754 2,762 24,763 3,764 1,767 2,772 2,776 2,781 1,783 24,784 9,785 6,786 11,787 1,792 7,797 0.8,798 2,807 1,809 1,815 2,816 3,819 1,828 1,843 4,845 1,847 2,849 1,851 38,852 2,860 2,865 1,869 1,873 1,874 3.2,877 2,881 20.083,882 11.66,883 8.083,884 3.355,886 5.225,887 1.595,888 1.016,889 6.905,890 14.006,891 4.069,892 4.732,893 5.352,894 5.989,895 6.516,896 6.942,897 7.426,898 7.943,899 8.35,900 8.781,901 1,902 64,903 14.036,905 6.169,906 7.976,907 26.064,909 21.623,911 2.476,912 94.083,916 211.88,917 201.533,918 137.041,920 50.29,921 14.96,922 31.278,923 170.256,924 262.17,925 152.001,926 17.65,927 68.919,928 125.404,929 111.985,930 49.821,931 45.852,932 196.073,934 211.88,935 307.297,936 65.25,937 31.278,939 156.213,940 120.916,943 106.441,944 167.408,945 33.449,946 31.278,947 226.84,948 187.331,949 201.533,952 211.88,953 73.282,954 130.028,955 36.022,956 164.493,957 211.88,958 202.291,959 201.533,961 0.6,962 0.353,963 0.18,964 0.093,965 31,966 15,967 0.091,968 6,969 1,970 1.077,971 4.748,972 377.621,973 0.077,974 26,975 193.421,977 1,981 25.828,982 10.16,983 5.155,984 1.736,985 200.514,986 20.092,987 8.762,990 1.526,991 4.293,992 1.539,993 101.816,994 615.704,995 57.5,1000 24.155,1004 -0.974,1007 62.909,1008 69.903,1009 0.296,1010 0.68,1011 0.826,1012 0.902,1013 0.915,1014 0.92,1015 5.332,1016 2.048,1017 6.248,1018 6.152,1019 4.828,1020 5.421,1021 2.491,1022 7.132,1023 4.757,1024 6.585,1025 1.815,1026 7.864,1027 5.71,1028 4.635,1029 5.352,1030 1.977,1031 8.342,1032 4.548,1033 7.927,1034 1.693,1035 9.592,1036 5.106,1037 6.529,1038 7.689,1039 3.395,1040 11.429,1041 6.401,1042 9.306,1043 1.414,1044 11.39,1045 4.65,1046 7.148,1047 8.433,1048 3.424,1049 13.498,1050 7.001,1051 10.718,1052 1.183,1053 13.235,1054 3.982,1055 8.573,1056 10.268,1057 4.472,1058 16.189,1059 8.392,1060 12.153,1061 1.091,1062 15.116,1063 2.988,1064 9.536,1065 11.402,1066 4.768,1067 18.573,1068 9.332,1069 13.606,1070 1,1071 17.024,1072 2.586,1073 10.809,1074 13.039,1075 5.634,1076 21.162,1077 10.575,1078 3.495,1079 1,1080 18.954,1081 2.54,1082 11.92,1083 14.372,1084 6.079,1085 23.658,1086 11.659,1087 3.307,1088 13.303,1089 20.9,1090 2.275,1091 13.148,1092 15.934,1093 6.847,1094 26.224,1095 12.858,1096 2.83,1097 11.975,1098 22.861,1099 4.726,1100 14.323,1101 17.368,1102 7.379,1103 28.763,1104 14.004,1105 2.725,1106 9.619,1107 24.832,1108 4.036,1109 15.542,1110 18.905,1111 8.094,1112 31.326,1113 15.195,1114 2.57,1115 7.88,1116 26.812,1117 3.731,1118 16.746,1119 20.391,1120 8.676,1121 33.882,1122 16.369,1123 2.357,1124 7.667,1125 28.799,1126 3.66,1127 17.967,1128 21.924,1129 9.362,1130 36.449,1131 17.562,1132 2.097,1133 7.062,1134 30.792,1135 3.445,1136 19.186,1137 23.438,1138 9.974,1139 39.014,1140 18.751,1141 23316,1142 41476,1143 27.452,1144 43.387,1145 65.365,1146 65.9,1147 66.829,1148 64.174,1149 64.213,1150 86.622,1151 7.971,1152 194.568,1153 61.768,1154 5.621,1155 6.036,1156 7.176,1157 5.581,1158 5.495,1159 7.726,1160 3.388,1161 21.043,1162 5.399,1163 22.88,1164 1.556,1165 1.569,1166 1.591,1167 1.528,1168 1.529,1169 2.062,1170 0.19,1171 4.633,1172 1.471,1173 4.145,1174 4.165,1175 4.347,1176 4.138,1177 8.201,1178 4.101,1179 3.947,1180 3.992,1181 3.92,1182 3.833,1183 7.437,1184 3.838,1185 3.918,1186 3.951,1187 3.884,1188 3.812,1189 7.43,1190 3.82,1191 3.823,1192 3.856,1193 3.8,1194 3.723,1195 5.191,1196 3.724,1197 3.56,1198 3.606,1199 3.523,1200 3.426,1201 4.953,1202 3.425,1203 3.422,1204 3.469,1205 3.401,1206 3.168,1207 4.86,1208 3.204,1209 3.257,1210 3.307,1211 3.373,1212 3.096,1213 4.773,1214 3.094,1215 3.114,1216 3.213,1217 2.999,1218 2.851,1219 4.661,1220 2.838,1221 0.113,1222 0.096,1223 0.181,1224 0.106,1225 0.083,1226 4.755,1227 0.113,1228 4.036,1229 0.046,1230 7.62,1231 0.317,1232 4.468,1233 0.081,1234 3.495,1235 4.726,1236 1.934,1237 13.303,1238 3.399,1239 1.966,1240 1.947,1241 2.037,1242 2.047,1243 1.192,1244 2.044,1245 1.88,1246 1.853,1247 1.979,1248 1.995,1249 1.121,1250 1.989,1251 1.846,1252 1.826,1253 1.936,1254 1.969,1255 1.052,1256 1.959,1257 1.742,1258 1.691,1259 1.879,1260 1.92,1261 1.04,1262 1.918,1263 1.459,1264 1.436,1265 1.545,1266 1.609,1267 0.691,1268 1.59,1269 1.289,1270 1.258,1271 1.417,1272 1.523,1273 0.511,1274 1.503,1275 1.197,1276 1.169,1277 1.401,1278 1.457,1279 0.469,1280 1.407,1281 1.06,1282 0.971,1283 1.317,1284 1.357,1285 0.308,1286 1.357,1287 4.443,1289 5.808,1290 3.045,1291 7.357,1292 5.352,1293 8.99,1294 7.455,1295 10.668,1297 3.408,1299 13.356,1301 11.84,1305 5.333,1310 -0.983,1314 41.891,1315 109.088,1316 251.121,1317 304.896,1318 332.896,1319 337.65,1320 339.65,1321 83.144,1322 8.781,1323 140.95,1324 169.19,1325 28,1326 13.052,1327 4.907,1328 4.044,1329 59.434,1330 204,1331 210,1332 0.14,1333 259.695,1334 441.56,1335 625.415,1336 96152,1337 1.6,1338 27.026,1339 0.711,1340 0.562,1341 26.51,1342 21.344,1343 18.129,1344 0.432,1345 0.297,1346 11.501,1347 16.989,1348 11.103,1349 9.22,1350 18.189,1351 12.463,1352 17.442,1353 0.281,1354 0.162,1355 17.333,1356 10.054,1357 14.617,1358 0.176,1359 0.087,1360 15.001,1361 7.243,1362 11.841,1363 0.11,1364 0.047,1365 12.458,1366 5.079,1367 9.129,1368 0.069,1369 0.025,1370 9.866,1371 3.359,1372 0.226,1373 118.191,1374 0.191,1375 34.897,1376 0.368,1377 208,1378 662.668,1379 251.114,1380 646.873,1381 877.04,1382 600,1383 249,1384 636.834,1385 290.295,1386 656.933,1387 958.52,1388 616,1389 6.9}
{0 CHEMBL1967878,1 1.582,2 13.424,3 3.131,4 9.8,5 130.054,6 7.168,7 0.324,8 4.249,9 4.391,10 3.784,11 3.738,12 5.304,13 3.723,14 4.834,15 5.032,16 4.187,17 4.188,18 5.857,19 4.147,20 5.133,21 5.361,22 4.224,23 4.341,24 6.144,25 4.254,26 5.206,27 5.471,28 4.167,29 4.324,30 6.162,31 4.218,32 5.169,33 5.435,34 4.105,35 4.277,36 6.162,37 4.174,38 5.079,39 5.346,40 4.106,41 4.179,42 6.123,43 4.096,44 4.95,45 5.209,46 4.024,47 4.013,48 6.192,49 3.96,50 4.791,51 5.037,52 3.791,53 3.899,54 5.916,55 3.813,56 0.05,57 1.072,58 13.931,59 5.277,60 10.97,61 7.629,62 0.334,63 1.744,64 27.064,65 9.382,66 39.657,67 13.708,68 0.582,69 2.132,70 38.369,71 12.133,72 73.243,73 18.448,74 0.532,75 2.059,76 42.678,77 13.441,78 69.355,79 20.444,80 0.611,81 2.017,82 41.658,83 12.371,84 82.507,85 18.934,86 0.463,87 1.993,88 38.19,89 11.805,90 69.995,91 17.471,92 0.723,93 1.792,94 34.118,95 8.797,96 109.699,97 13.404,98 0.54,99 1.496,100 28.461,101 8.366,102 70.148,103 12.189,104 27,105 54,106 0.254,107 0.62,108 0.814,109 0.864,110 0.874,111 0.874,112 3.532,113 0.93,114 -4.41,115 -4.34,116 -4.09,119 38.1,120 1,121 1,122 3,124 1,125 4,127 1,135 2,142 3,143 1,144 3,145 1,147 1,150 1,158 1,163 1,164 1,165 1,172 9,174 1,175 3,177 1,178 4,180 5,183 11,185 1,187 1,188 4,193 6,196 4,198 1,200 9,203 2,204 2,205 5,207 1,208 1,210 3,213 10,216 1,218 1,223 1,224 1,225 8,227 1,228 1,230 4,237 2,238 3,243 5,249 1,250 1,252 1,253 3,254 1,255 2,257 1,258 4,267 1,272 10,276 1917,277 22.118,278 22.118,279 22.118,280 22.118,281 22.118,282 20.253,283 36.662,284 12.68,285 22.605,286 18.254,287 18.254,288 18.254,289 18.254,290 18.254,291 15.414,292 58.849,293 6.035,294 19.1,295 4.395,296 2.118,297 0.905,298 0.595,299 0.532,300 0.532,301 4.235,306 1,307 981,308 3.317,311 172.678,312 450.546,319 2.169,320 36.27,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 72,332 443,333 4.375,334 3.773,335 6.914,336 4.276,337 3.285,338 3.962,339 1.886,340 11.61,341 3.259,342 4.328,343 3.257,344 6.463,345 3.99,346 3.029,347 3.878,348 0.8,349 9.996,350 2.915,351 4.207,352 3.22,353 6.094,354 3.788,355 2.863,356 3.43,357 0.8,358 8.89,359 2.637,360 3.753,361 3.069,362 5.64,363 3.477,364 2.536,365 3.048,366 0.4,367 7.551,368 2.38,369 3.521,370 2.8,371 5.543,372 3.277,373 2.334,374 2.695,375 0.4,376 7.125,377 2.277,378 3.474,379 2.64,380 5.206,381 3.25,382 2.252,383 2.652,385 6.42,386 2.158,387 3.302,388 2.286,389 5.098,390 2.968,391 2.031,392 2.42,394 5.93,395 1.918,396 3.074,397 2.274,398 4.977,399 2.881,400 1.92,401 2.147,403 5.782,404 1.822,405 2.963,406 2.013,407 4.731,408 2.679,409 1.722,410 2.068,412 4.921,413 1.642,414 2.79,415 1.957,416 4.349,417 2.444,418 1.494,419 1.853,421 4.015,422 1.411,423 2.618,424 1.623,425 4.099,426 2.219,427 1.241,428 1.6,430 3.249,431 1.211,432 2.581,433 1.354,434 3.947,435 2.215,436 1.237,437 1.53,439 3.191,440 1.198,441 2.048,442 1.146,443 3.414,444 1.967,445 1,446 1,448 2.275,449 0.965,450 2,451 0.805,452 3.273,453 1.65,454 0.656,455 0.836,457 1.628,458 0.652,459 1.613,460 0.72,461 3.126,462 1.281,463 0.378,464 0.446,466 0.927,467 0.336,468 15.419,469 0.467,470 0.959,471 0.029,472 38.75,473 1.174,474 16,475 0.485,476 22.75,477 0.689,478 32.525,479 0.986,480 36.781,481 0.584,482 30.777,483 0.933,484 7.372,485 0.223,486 8.513,487 0.258,488 0.131,490 0.409,494 1,496 0.76,497 1.363,498 0.813,499 1.149,500 0.611,501 1.008,502 0.715,503 1.024,504 0.857,505 0.989,506 0.463,507 0.947,508 0.865,509 1.068,510 1.072,511 1.16,512 0.809,513 1.155,514 0.782,515 0.962,516 0.913,517 1.02,518 0.781,519 0.995,520 1.018,521 0.912,522 0.997,523 0.926,524 1.067,525 0.95,526 1.075,527 1.22,528 0.872,529 0.998,530 1.1,531 0.918,532 1.41,533 1.163,534 1.057,535 0.899,536 1.201,537 0.899,538 1.357,539 1.198,540 1.209,541 1.099,542 1.395,543 1.125,544 7.5,545 0.218,546 4,547 2.597,548 2.001,549 1.233,550 0.983,551 0.508,552 0.353,553 0.216,554 16999,555 39985,556 2.112,557 47.6,558 6,559 17,561 1,562 4,563 1,564 1,567 1.75,568 1.96,569 3.676,570 1.573,577 99.671,578 1.582,579 3.859,580 5.072,581 5.382,582 5.445,583 5.445,584 3.132,585 4.681,586 5.017,587 3.882,588 2049.49,589 8.77,590 31126.3,592 1,595 376.569,596 1.459,597 4.969,598 0.203,599 0.007,600 0.074,601 0.05,602 0.041,603 0.027,604 0.021,605 0.012,606 0.011,607 0.007,608 0.453,610 0.88,611 0.718,612 176.629,613 -0.066,614 -0.177,615 0.051,616 -0.03,617 -0.042,618 0.024,619 0.06,620 0.06,621 0.056,622 0.052,623 0.116,624 0.052,625 0.041,626 -0.04,627 -0.122,628 -0.151,629 0.021,630 -0.167,631 0.041,632 -0.066,633 0.051,634 -0.038,635 0.013,636 -0.001,637 -0.061,638 0.017,639 -0.012,640 0.039,641 -0.087,642 0.026,643 0.015,644 -0.161,645 0.133,646 -0.003,647 0.006,648 0.071,649 0.018,650 0.027,651 -0.002,652 0.028,653 0.182,654 0.02,655 -0.049,656 -0.025,657 -0.187,658 -0.127,659 -0.078,660 -0.177,661 2.225,662 6.524,663 0.758,664 35.609,665 1.002,666 1.143,667 3.18,668 10.111,669 0.644,670 3.638,671 4.007,672 4.304,673 4.605,674 4.82,675 4.898,676 4.99,677 5.075,678 5.187,679 5.313,680 7.862,681 0.612,682 451.61,683 3.638,684 5.209,685 6.08,686 6.98,687 7.867,688 8.77,689 9.663,690 10.568,691 11.465,692 12.371,693 11.1,696 1,698 1,699 1,700 1,701 1,703 2,709 4,710 2,714 6,716 12,728 2,730 1,734 1,735 63,737 14,738 1,739 37,741 67,742 24,743 10,744 3,745 3,748 5,749 6,754 1,757 2,758 3,760 2,762 13,763 11,764 3,767 2,772 1,774 2,776 1,781 1,783 30,784 9,785 4,786 9,792 7,797 0.8,798 1,810 1,815 2,816 4,828 1,834 2,839 1,843 4,847 2,849 1,851 33,852 1,858 5,860 2,863 4,864 2,873 1,874 1.6,877 1,881 16.833,882 11.526,883 7.028,884 3.784,886 2.671,887 1.322,888 0.991,889 6.084,890 10.973,891 3.829,892 4.382,893 4.871,894 5.379,895 5.852,896 6.047,897 6.34,898 6.715,899 7.067,900 7.437,901 0.889,902 52,903 12.314,905 5.455,906 7.758,907 23.691,909 20.458,911 2.258,912 74.5,915 1,916 306.049,917 111.359,918 108.738,920 25.145,921 14.96,923 111.359,924 331.194,925 123.698,926 17.222,927 43.855,928 47.381,929 93.202,930 51.127,931 19.187,932 294.278,934 306.049,935 220.098,936 40.105,939 309.238,940 36.916,943 84.761,944 64.802,945 70.534,947 321.009,948 133.883,949 111.359,952 306.049,953 37.709,954 79.899,955 36.022,956 106.573,957 306.049,958 148.843,959 111.359,961 0.596,962 0.349,963 0.191,964 0.104,965 28,966 13,967 0.09,968 6,969 2,970 1.12,971 4.422,972 313.238,973 0.16,974 24,975 162.465,981 22.269,982 9.015,983 4.477,985 148.843,986 7.289,987 8.461,991 3.023,993 68.919,994 566.251,995 45,1000 11.979,1002 4.112,1004 -0.368,1007 63.156,1008 72.02,1009 0.265,1010 0.646,1011 0.849,1012 0.9,1013 0.911,1014 0.911,1015 5.118,1016 1.92,1017 6.089,1018 5.93,1019 4.691,1020 5.069,1021 2.229,1022 6.932,1023 4.608,1024 6.307,1025 1.722,1026 7.67,1027 5.782,1028 4.369,1029 4.868,1030 1.738,1031 7.879,1032 4.247,1033 7.609,1034 1.494,1035 9.346,1036 4.921,1037 6.323,1038 7.129,1039 2.914,1040 10.99,1041 6.167,1042 8.938,1043 1.241,1044 11.078,1045 4.015,1046 6.792,1047 7.698,1048 3.011,1049 12.776,1050 6.613,1051 10.298,1052 1.237,1053 12.847,1054 3.249,1055 8.242,1056 9.484,1057 3.983,1058 15.417,1059 8.035,1060 11.677,1061 1,1062 14.641,1063 3.191,1064 9.077,1065 10.415,1066 4.336,1067 17.57,1068 8.858,1069 13.073,1070 0.656,1071 16.456,1072 2.275,1073 10.336,1074 12.001,1075 5.165,1076 20.058,1077 10.096,1078 3.285,1079 0.378,1080 18.288,1081 1.628,1082 11.343,1083 13.119,1084 5.649,1085 22.371,1086 11.099,1087 3.029,1088 11.61,1089 20.132,1090 0.927,1091 12.53,1092 14.605,1093 6.391,1094 24.812,1095 12.272,1096 2.863,1097 9.996,1098 21.988,1099 3.962,1100 13.617,1101 15.827,1102 6.945,1103 27.193,1104 13.358,1105 2.536,1106 8.89,1107 23.854,1108 3.878,1109 14.781,1110 17.26,1111 7.638,1112 29.624,1113 14.514,1114 2.334,1115 7.551,1116 25.727,1117 3.43,1118 15.907,1119 18.54,1120 8.229,1121 32.036,1122 15.64,1123 2.252,1124 7.125,1125 27.608,1126 3.048,1127 17.066,1128 19.944,1129 8.895,1130 34.468,1131 16.794,1132 2.031,1133 6.42,1134 29.494,1135 2.695,1136 18.211,1137 21.258,1138 9.506,1139 36.896,1140 17.94,1141 15765,1142 24411,1143 24.679,1144 40.569,1145 57.12,1146 57.719,1147 58.478,1148 56.363,1149 56.306,1150 67.53,1151 8.572,1152 167.941,1153 53.892,1154 5.375,1155 5.773,1156 6.328,1157 5.354,1158 5.285,1159 6.962,1160 3.272,1161 18.747,1162 5.259,1163 17.428,1164 1.544,1165 1.56,1166 1.58,1167 1.523,1168 1.522,1169 1.825,1170 0.232,1171 4.539,1172 1.457,1173 4.066,1174 4.108,1175 3.997,1176 3.968,1177 8.201,1178 3.966,1179 3.98,1180 4.022,1181 3.915,1182 3.888,1183 7.436,1184 3.89,1185 3.823,1186 3.884,1187 3.787,1188 3.629,1189 4.967,1190 3.664,1191 3.729,1192 3.789,1193 3.619,1194 3.555,1195 4.882,1196 3.562,1197 3.412,1198 3.461,1199 3.331,1200 3.173,1201 4.712,1202 3.202,1203 3.248,1204 3.335,1205 3.143,1206 3.056,1207 4.536,1208 3.055,1209 3.172,1210 3.274,1211 2.975,1212 2.952,1213 4.35,1214 2.947,1215 3.111,1216 3.206,1217 2.954,1218 2.941,1219 4.1,1220 2.91,1221 0.118,1222 0.102,1223 0.187,1224 0.116,1225 0.089,1226 4.375,1227 0.107,1228 3.773,1229 0.051,1230 6.914,1231 0.314,1232 4.276,1233 0.088,1234 3.285,1235 3.962,1236 1.886,1237 11.61,1238 3.259,1239 1.946,1240 1.912,1241 2.062,1242 2.082,1243 1.313,1244 2.078,1245 1.82,1246 1.779,1247 1.948,1248 2.002,1249 1.302,1250 1.982,1251 1.724,1252 1.661,1253 1.923,1254 1.916,1255 1.163,1256 1.922,1257 1.668,1258 1.617,1259 1.772,1260 1.844,1261 1.112,1262 1.831,1263 1.51,1264 1.456,1265 1.721,1266 1.67,1267 0.825,1268 1.694,1269 1.249,1270 1.198,1271 1.549,1272 1.508,1273 0.742,1274 1.498,1275 1.22,1276 1.145,1277 1.532,1278 1.467,1279 0.643,1280 1.491,1281 1.174,1282 1.071,1283 1.513,1284 1.436,1285 0.605,1286 1.476,1287 4.317,1289 5.673,1290 3.045,1291 7.219,1292 5.416,1293 8.853,1294 7.535,1295 10.534,1297 4.231,1299 14.524,1301 5.628,1303 4.957,1305 6.318,1308 -0.382,1309 4.728,1314 38.569,1315 99.671,1316 243.111,1317 319.549,1318 339.059,1319 343.059,1320 343.059,1321 65.56,1322 8.302,1323 99.41,1324 99.41,1325 28,1326 12.891,1327 3.907,1328 3.17,1329 48.053,1330 157,1331 168,1332 0.147,1333 233.355,1334 410.9,1335 561.146,1336 53045,1337 1.6,1338 23.112,1339 0.7,1340 0.575,1341 22.242,1342 18.961,1343 15.885,1344 0.429,1345 0.31,1346 11.288,1347 15.207,1348 11.019,1349 9.07,1350 15.474,1351 11.467,1352 15.046,1353 0.279,1354 0.173,1355 14.529,1356 9.353,1357 12.651,1358 0.173,1359 0.098,1360 12.102,1361 7.132,1362 10.879,1363 0.11,1364 0.054,1365 10.69,1366 5.358,1367 8.689,1368 0.071,1369 0.029,1370 8.355,1371 3.58,1372 0.236,1373 99.993,1374 0.201,1375 30.921,1376 0.391,1377 182,1378 520.405,1379 201.339,1380 481.7,1381 654.92,1382 450,1383 218,1384 482.899,1385 237.987,1386 484.202,1387 710.94,1388 455,1389 7.9}
{0 CHEMBL1967887,1 1.542,2 8.65,3 1.279,4 1.635,5 78.057,6 7.454,7 0.727,8 3.697,9 3.827,10 3.267,11 3.222,12 4.835,13 3.212,14 4.183,15 4.355,16 3.582,17 3.584,18 5.24,19 3.556,20 4.35,21 4.546,22 3.583,23 3.666,24 5.408,25 3.605,26 4.356,27 4.58,28 3.421,29 3.619,30 5.304,31 3.523,32 4.266,33 4.501,34 3.331,35 3.518,36 5.208,37 3.419,38 4.195,39 4.422,40 3.271,41 3.412,42 5.204,43 3.323,44 4.114,45 4.363,46 3.099,47 3.255,48 5.08,49 3.151,50 3.981,51 4.256,52 2.86,53 3.039,54 4.919,55 2.912,56 0.056,57 0.557,58 7.412,59 3.036,60 9.096,61 4.022,62 0.11,63 0.836,64 13.29,65 4.913,66 15.221,67 6.673,68 0.272,69 0.929,70 16.601,71 5.921,72 27.06,73 8.152,74 0.156,75 0.921,76 16.934,77 6.077,78 21.057,79 8.627,80 0.119,81 0.831,82 15.639,83 5.719,84 18.697,85 8.215,86 0.149,87 0.778,88 14.532,89 5.026,90 21.876,91 7.168,92 0.168,93 0.703,94 13.776,95 4.511,96 19.55,97 6.587,98 0.206,99 0.567,100 12.652,101 4,102 20.907,103 6.052,104 8,105 30,106 0.279,107 0.675,108 0.832,109 0.882,110 0.882,111 0.882,112 3.058,113 0.887,114 -2.18,115 -2.22,116 -2.19,119 41.7,120 1,125 2,142 4,143 3,144 1,145 2,146 1,152 1,163 1,164 1,165 1,168 1,172 6,175 4,180 2,183 8,187 1,188 6,190 1,191 1,193 2,196 7,200 4,205 2,208 4,213 5,218 2,221 2,223 1,225 3,227 1,228 1,230 2,233 1,235 1,237 1,238 1,241 1,243 1,248 1,249 1,250 1,253 1,255 2,260 2,269 2,274 2,276 478,277 13.801,278 13.801,279 13.801,280 13.801,281 13.801,282 11.958,283 7.63,284 8.337,285 14.096,286 10.841,287 10.841,288 10.841,289 10.841,290 10.841,291 8.068,292 7.082,293 3.923,294 11.305,295 3.628,296 1.442,297 0.577,298 0.299,299 0.299,300 0.299,301 3.741,305 1,306 1,307 373,308 2.449,311 43.454,312 106.904,315 74.537,319 1.45,320 13.076,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 43,332 173,333 4.558,334 3.147,335 6.522,336 4.088,337 3.103,338 4.51,339 0.86,340 10.231,341 3.059,342 4.184,343 2.948,344 6.117,345 3.776,346 2.798,347 3.816,349 8.978,350 2.738,351 3.681,352 2.603,353 5.307,354 3.284,355 2.342,356 3.096,358 6.826,359 2.196,360 3.308,361 2.026,362 4.951,363 2.852,364 1.884,365 2.647,367 5.414,368 1.821,369 2.989,370 1.798,371 4.365,372 2.535,373 1.594,374 2.193,376 4.193,377 1.494,378 2.715,379 1.475,380 4.012,381 2.306,382 1.349,383 1.811,385 3.193,386 1.284,387 2.573,388 1.257,389 3.513,390 2.172,391 1.211,392 1.608,394 2.656,395 1.162,396 2.432,397 1.101,398 3.379,399 2.036,400 1.082,401 1.428,403 2.42,404 1.029,405 2.11,406 0.731,407 3.221,408 1.641,409 0.652,410 0.938,412 1.547,413 0.644,414 1.381,415 0.704,416 2.632,417 1.15,418 0.273,419 0.294,421 0.439,422 0.238,423 1.018,424 -0.208,425 2.472,426 0.631,427 -0.353,428 -0.461,430 -0.849,431 -0.345,432 0.696,433 -0.276,434 2.21,435 0.306,436 -0.613,437 -0.73,439 -1.244,440 -0.556,441 0.652,442 -0.659,443 2,444 0.215,445 -0.773,446 -1.015,448 -2.042,449 -0.762,450 0.586,451 -0.876,452 1.792,453 0.097,454 -0.881,455 -1.304,457 -2.54,458 -0.862,459 0.192,460 -1.073,461 1.676,462 -0.206,463 -1.168,464 -1.448,466 -2.664,467 -1.123,468 9.433,469 0.472,470 0.397,471 0.02,472 27.25,473 1.363,474 14.5,475 0.725,476 12.75,477 0.638,478 13.148,479 0.657,480 21.167,481 0.588,482 17.42,483 0.871,484 5.55,485 0.278,486 4.225,487 0.211,488 0.095,490 0.318,496 0.924,497 1.094,498 0.804,499 0.983,500 1.089,501 0.888,502 1.217,503 1.081,504 0.864,505 0.93,506 1.019,507 0.861,508 1.163,509 0.941,510 1,511 0.931,512 0.909,513 0.951,514 1.017,515 1.046,516 1.067,517 1.077,518 0.924,519 1.079,520 0.821,521 1.053,522 0.937,523 1.059,524 0.766,525 1.023,526 1.045,527 1.125,528 1.046,529 1.123,530 1.047,531 1.096,532 0.956,533 1.062,534 1.06,535 1.121,536 0.956,537 1.108,538 0.72,539 0.959,540 0.927,541 1.011,542 0.807,543 0.999,544 3.5,545 0.049,546 2.222,547 1.104,548 0.751,549 0.601,550 0.292,551 0.215,552 0.119,553 0.07,554 3787,555 9945,556 2.107,557 44.4,559 8,561 2,562 3,563 3,567 1.617,568 2,569 3.113,570 1.103,572 1,574 1,577 55.514,578 1.542,579 3.728,580 4.593,581 4.871,582 4.871,583 4.871,584 2.546,585 3.922,586 4.291,587 3.234,588 614.456,589 7.329,590 6222.56,591 1,592 1,595 186.117,596 1.295,597 4.266,598 0.159,599 0.01,600 0.074,601 0.038,602 0.031,603 0.027,604 0.015,605 0.013,606 0.01,607 0.01,608 0.388,609 0.5,610 1,611 1.197,612 88.406,613 -0.013,614 0.092,615 0.041,616 0.041,617 -0.152,618 0.05,619 -0.143,620 -0.006,621 0.047,622 0.078,623 -0.09,624 0.091,625 0.003,626 0.075,627 -0.054,628 0.068,629 0.035,630 0.007,631 -0.133,632 -0.058,633 -0.127,634 -0.079,635 -0.145,636 -0.097,637 -0.033,638 -0.095,639 0.008,640 -0.05,641 0.031,642 -0.019,643 -0.053,644 -0.144,645 -0.087,646 -0.146,647 -0.036,648 -0.128,649 0.031,650 -0.092,651 -0.077,652 -0.173,653 -0.022,654 -0.149,655 0.282,656 -0.065,657 0.094,658 -0.059,659 0.219,660 -0.015,661 1.01,662 2.007,663 0.75,664 14.19,665 1.001,666 1.13,667 0.947,668 0.896,669 0.668,670 3.135,671 3.434,672 3.714,673 3.97,674 4.174,675 4.22,676 4.357,677 4.454,678 4.419,679 4.407,680 5.15,681 0.638,682 268.35,683 3.135,684 4.654,685 5.501,686 6.372,687 7.241,688 8.119,689 8.997,690 9.879,691 10.76,692 11.645,693 11.1,694 1,701 1,703 2,708 2,709 6,710 2,711 1,714 4,716 16,733 1,735 36,737 16,738 1,739 22,741 38,742 15,743 12,744 3,745 3,748 3,749 4,754 2,762 12,763 3,779 1,780 1,783 16,784 4,785 3,786 5,792 4,797 0.667,798 1,807 1,809 1,815 1,816 2,819 1,836 1,843 2,847 1,851 20,852 1,858 2,861 1,874 2.8,879 1,881 10,882 6.65,883 4.5,884 2.053,886 3.175,887 1.47,888 1.01,889 3.566,890 9.93,891 3.434,892 4.073,893 4.726,894 5.359,895 5.905,896 6.246,897 6.735,898 7.178,899 7.41,900 7.735,901 0.833,902 29,903 7.325,905 3.027,906 7.65,907 14.052,909 11.274,911 2.15,912 43,913 0.001,916 153.024,917 90.612,918 83.009,920 11,923 90.612,924 164.024,925 83.009,926 8.825,927 39.595,928 37.905,929 56.991,930 62.089,931 2.757,932 129.482,934 153.024,935 173.62,936 11,939 153.024,940 11,943 85.322,944 54.849,945 33.449,947 153.024,948 94.009,949 90.612,952 153.024,953 25.787,954 64.825,955 16.663,956 77.346,957 153.024,958 94.009,959 90.612,961 0.569,962 0.334,963 0.182,964 0.101,965 15,966 6,967 0.105,968 4,969 1,970 1.133,971 3.294,972 149.405,973 0.133,974 15,975 86.439,981 12.943,982 5.511,983 2.635,984 2.088,985 77.346,986 11.637,987 8.447,988 2.99,991 3.9,993 49.56,994 337.644,995 30,1007 36.036,1008 40.694,1009 0.298,1010 0.721,1011 0.888,1012 0.942,1013 0.942,1014 0.942,1015 4.635,1016 1.082,1017 5.468,1018 2.656,1019 4.111,1020 4.758,1021 0.908,1022 6.263,1023 4.041,1024 5.846,1025 0.652,1026 7.013,1027 2.42,1028 3.611,1029 4.559,1031 7.125,1032 3.544,1033 7.155,1034 0.273,1035 8.66,1036 1.547,1037 5.68,1038 7.042,1039 0.739,1040 10.226,1041 5.566,1042 8.508,1043 -0.353,1044 10.369,1045 0.439,1046 6.043,1047 7.73,1049 11.938,1050 5.937,1051 9.895,1052 -0.613,1053 12.116,1054 -0.849,1055 7.548,1056 9.643,1057 0.593,1058 14.526,1059 7.407,1060 11.308,1061 -0.773,1062 13.89,1063 -1.244,1064 8.313,1065 10.75,1067 16.581,1068 8.176,1069 12.74,1070 -0.881,1071 15.684,1072 -2.042,1073 9.583,1074 12.422,1075 0.469,1076 18.989,1077 9.422,1078 3.103,1079 -1.168,1080 17.492,1081 -2.54,1082 10.536,1083 13.731,1085 21.188,1086 10.373,1087 2.798,1088 10.231,1089 19.31,1090 -2.664,1091 11.709,1092 15.299,1093 0.366,1094 23.53,1095 11.528,1096 2.342,1097 8.978,1098 21.137,1099 4.51,1100 12.749,1101 16.707,1103 25.79,1104 12.56,1105 1.884,1106 6.826,1107 22.97,1108 3.816,1109 13.883,1110 18.232,1111 0.283,1112 28.11,1113 13.681,1114 1.594,1115 5.414,1116 24.808,1117 3.096,1118 14.964,1119 19.686,1121 30.398,1122 14.751,1123 1.349,1124 4.193,1125 26.651,1126 2.647,1127 16.085,1128 21.194,1129 0.217,1130 32.712,1131 15.859,1132 1.211,1133 3.193,1134 28.497,1135 2.193,1136 17.185,1137 22.672,1139 35.014,1140 16.947,1141 3719,1142 6111,1143 14.909,1144 24.046,1145 32.59,1146 33.036,1147 33.681,1148 32.501,1149 32.576,1150 44.682,1151 1.72,1152 91.796,1153 31.331,1154 5.348,1155 5.147,1156 6.385,1157 5.131,1158 5.103,1159 7.51,1160 1.72,1161 16.757,1162 5.059,1163 7.964,1164 1.481,1165 1.502,1166 1.531,1167 1.477,1168 1.481,1169 2.031,1170 0.078,1171 4.173,1172 1.424,1173 4.121,1174 4.158,1175 4.087,1176 4.032,1177 5.095,1178 4.04,1179 3.85,1180 3.887,1181 3.805,1182 3.718,1183 5.025,1184 3.734,1185 3.54,1186 3.619,1187 3.395,1188 3.323,1189 4.909,1190 3.33,1191 3.392,1192 3.459,1193 3.274,1194 3.231,1195 4.399,1196 3.23,1197 3.038,1198 3.123,1199 2.905,1200 2.876,1201 4.296,1202 2.876,1203 2.883,1204 2.975,1205 2.741,1206 2.627,1207 3.905,1208 2.615,1209 2.8,1210 2.888,1211 2.568,1212 2.593,1213 3.665,1214 2.598,1215 2.663,1216 2.748,1217 2.536,1218 2.448,1219 3.505,1220 2.461,1221 0.207,1222 0.143,1223 0.296,1224 0.186,1225 0.141,1226 4.558,1227 0.205,1228 3.147,1229 0.039,1230 6.522,1231 0.465,1232 4.088,1233 0.139,1234 3.103,1235 4.51,1236 0.86,1237 10.231,1238 3.059,1239 1.988,1240 1.969,1241 2.062,1242 2.059,1243 1.214,1244 2.061,1245 1.735,1246 1.708,1247 1.855,1248 1.88,1249 0.996,1250 1.875,1251 1.501,1252 1.427,1253 1.758,1254 1.772,1255 0.892,1256 1.761,1257 1.473,1258 1.394,1259 1.695,1260 1.733,1261 0.731,1262 1.73,1263 1.024,1264 0.973,1265 1.237,1266 1.28,1267 0.254,1268 1.284,1269 0.815,1270 0.733,1271 1.149,1272 1.175,1273 0.206,1274 1.172,1275 0.778,1276 0.7,1277 1.051,1278 0.984,1279 0.092,1280 1.015,1281 0.699,1282 0.594,1283 1.024,1284 0.975,1286 1.002,1287 3.807,1289 5.106,1290 2.398,1291 6.608,1292 4.727,1293 8.203,1294 6.804,1295 9.849,1297 2.012,1301 5.437,1303 0.982,1306 5.507,1314 22.961,1315 55.514,1316 134.201,1317 165.362,1318 175.362,1319 175.362,1320 175.362,1321 22.719,1322 6.755,1323 76.82,1324 76.82,1325 17,1326 12.179,1327 4.087,1328 3.17,1329 29.996,1330 61,1331 72,1332 0.246,1333 143.157,1334 232.59,1335 341.063,1336 6854,1338 13.949,1339 0.697,1340 0.563,1341 13.949,1342 11.258,1343 9.775,1344 0.444,1345 0.296,1346 6.412,1347 9.387,1348 6.243,1349 5.203,1350 9.775,1351 6.507,1352 8.487,1353 0.283,1354 0.154,1355 8.487,1356 4.627,1357 7.268,1358 0.182,1359 0.079,1360 7.268,1361 3.178,1362 5.992,1363 0.115,1364 0.041,1365 5.992,1366 2.15,1367 4.868,1368 0.076,1369 0.022,1370 4.868,1371 1.436,1372 0.379,1373 61.321,1374 0.259,1375 19.864,1376 0.69,1377 104,1378 292.671,1379 113.066,1380 286.01,1381 399.64,1382 270,1383 122,1384 302.441,1385 131.511,1386 307.157,1387 445.79,1388 289,1389 5.6}
{0 CHEMBL1968070,1 1.928,2 6.95,3 1.132,4 1.281,5 74.208,6 10.346,7 0.545,8 3.512,9 3.62,10 3.328,11 3.063,12 4.866,13 3.102,14 3.944,15 4.05,16 3.751,17 3.441,18 5.398,19 3.469,20 4.241,21 4.373,22 3.904,23 3.608,24 5.628,25 3.64,26 4.282,27 4.439,28 3.84,29 3.53,30 5.755,31 3.559,32 4.243,33 4.424,34 3.777,35 3.41,36 5.756,37 3.426,38 3.973,39 4.162,40 3.389,41 3.131,42 5.427,43 3.116,44 3.609,45 3.806,46 3.058,47 2.724,48 5.34,49 2.691,50 3.097,51 3.285,52 2.616,53 2.257,54 4.501,55 2.15,56 0.173,57 0.474,58 2.399,59 1.838,60 17.864,61 1.526,62 0.299,63 0.695,64 4.283,65 3.207,66 32.934,67 3.213,68 0.474,69 0.884,70 8.796,71 4.386,72 55.761,73 4.007,74 0.565,75 0.872,76 8.429,77 4.288,78 55.654,79 3.889,80 0.67,81 0.759,82 13.162,83 4.644,84 79.891,85 4.707,86 0.487,87 0.546,88 12.244,89 3.791,90 65.112,91 3.767,92 0.395,93 0.361,94 7.038,95 2.584,96 63.441,97 2.857,98 0.245,99 0.158,100 6.287,101 1.737,102 35.525,103 1.486,104 18,105 32,106 0.367,107 0.671,108 0.821,109 0.902,110 0.902,111 0.902,112 3.06,113 0.816,114 -2.21,115 -2.25,116 -2.22,119 42.9,142 4,143 2,144 2,147 2,158 2,163 1,164 1,165 1,166 1,172 4,175 5,177 1,178 3,180 5,183 3,185 1,188 5,191 1,192 1,193 7,196 2,198 1,199 1,200 3,203 3,204 1,205 3,207 1,208 2,210 1,212 1,213 7,216 2,217 1,218 3,220 1,221 4,223 1,224 1,225 5,227 1,228 1,230 1,233 2,235 1,237 2,238 2,240 2,241 2,243 1,246 2,248 1,258 2,264 1,269 1,274 1,276 370,277 13.223,278 13.223,279 13.223,280 13.223,281 13.223,282 11.459,283 19.388,284 7.601,285 13.504,286 10.844,287 10.844,288 10.844,289 10.844,290 10.844,291 8.107,292 30.145,293 3.585,294 11.338,295 2.88,296 1.286,297 0.5,298 0.071,299 0.071,300 0.071,301 3.736,303 1,305 1,306 1,307 296,308 2.55,312 72.495,313 35.516,317 123.722,319 1.06,320 29.097,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 44.833,332 139,333 4.519,334 3.646,335 6.698,336 4.16,337 3.183,338 4.169,339 1.058,340 10.847,341 3.108,342 4.285,343 3.526,344 6.415,345 3.889,346 2.9,347 3.933,348 0.98,349 9.81,350 2.867,351 3.704,352 2.948,353 5.57,354 3.321,355 2.356,356 3.03,357 0.4,358 7.104,359 2.277,360 3.513,361 2.901,362 5.144,363 3.069,364 2.126,365 2.827,367 5.995,368 2.011,369 3.355,370 2.496,371 4.961,372 2.934,373 2.035,374 2.559,376 5.823,377 1.71,378 2.881,379 1.841,380 4.217,381 2.406,382 1.416,383 2.045,385 3.449,386 1.394,387 2.744,388 1.537,389 3.856,390 2.269,391 1.273,392 1.764,394 3.125,395 1.254,396 2.532,397 1.299,398 3.733,399 2.005,400 1,401 1.475,403 2.591,404 0.998,405 1.663,406 0.87,407 3.055,408 1.292,409 0.342,410 0.423,412 0.861,413 0.308,414 1.29,415 0.511,416 2.88,417 0.948,418 0.017,419 0.02,421 0.044,422 0.015,423 0.973,424 0.208,425 2.359,426 0.522,427 -0.436,428 -0.556,430 -1.08,431 -0.355,432 0.695,433 -0.026,434 2.335,435 0.181,436 -0.751,437 -0.952,439 -2,440 -0.644,441 0.572,442 -0.262,443 2,444 0.137,445 -0.873,446 -1.236,448 -2.094,449 -0.82,450 0.411,451 -0.616,452 2,453 0.037,454 -1,455 -1.344,457 -2.233,458 -0.945,459 0.353,460 -0.85,461 1.619,462 -0.098,463 -1,464 -1.432,466 -2.805,467 -1.038,468 9.381,469 0.469,470 0.613,471 0.031,472 29.5,473 1.475,474 16,475 0.8,476 13.5,477 0.675,478 12.219,479 0.611,480 20.619,481 0.736,482 21.171,483 1.059,484 5.996,485 0.3,486 3.563,487 0.178,488 0.19,490 0.426,496 0.783,497 1.033,498 0.534,499 0.662,500 0.669,501 0.61,502 0.51,503 1.225,504 0.537,505 0.993,506 0.491,507 0.89,508 0.979,509 1.246,510 0.801,511 1.062,512 0.941,513 0.986,514 1.016,515 1.088,516 0.773,517 0.964,518 1.042,519 1.034,520 0.934,521 0.85,522 0.778,523 0.942,524 1.131,525 0.959,526 1.303,527 0.904,528 1.273,529 1.008,530 1.334,531 1.059,532 0.827,533 0.768,534 0.935,535 0.864,536 0.774,537 1.052,538 2.035,539 0.724,540 2.233,541 0.962,542 1.978,543 1.19,544 4.5,546 2.667,547 1.625,548 1.812,549 0.74,550 0.541,551 0.168,552 0.121,554 3174,555 13205,556 2.048,557 28.6,559 4,562 4,567 1.626,568 1.875,569 2.816,570 2.076,572 1,574 1,577 53.977,578 1.928,579 3.522,580 4.307,581 4.736,582 4.736,583 4.736,584 2.285,585 3.822,586 4.297,587 2.889,588 549.005,589 7.382,590 5352.27,591 1,592 1,595 134.606,596 1.522,597 4.231,598 0.205,600 0.083,601 0.044,602 0.055,603 0.026,604 0.028,605 0.014,606 0.024,608 0.48,609 0.5,610 1,611 0.897,612 85.327,613 -0.158,614 0.129,615 -0.032,616 0.16,617 -0.136,618 0.134,619 0.179,620 -0.139,621 0.073,622 -0.116,623 0.128,624 -0.073,625 -0.137,626 -0.217,627 -0.074,628 -0.165,629 -0.122,630 -0.119,631 -0.077,632 -0.067,633 -0.069,634 -0.088,635 -0.081,636 -0.151,637 0.113,638 0.072,639 0.149,640 0.029,641 -0.01,642 0.071,643 -0.223,644 -0.026,645 -0.121,646 0.019,647 -0.201,648 0.021,649 0.292,650 0.099,651 0.146,652 0.158,653 0.445,654 0.059,655 -0.635,657 -0.273,658 0.269,659 -0.551,660 0.013,661 2.283,662 5.108,663 0.75,664 11.45,665 1.045,666 1.132,667 0.978,668 0.957,669 0.726,670 3.135,671 3.497,672 3.784,673 4.078,674 4.357,675 4.466,676 4.605,677 4.673,678 4.736,679 4.727,680 4.27,681 0.729,682 289.7,683 3.135,684 4.691,685 5.557,686 6.457,687 7.344,688 8.246,689 9.141,690 10.043,691 10.941,692 11.843,693 17.9,700 2,701 1,703 2,709 4,710 2,714 6,716 12,722 1,723 1,728 1,734 1,735 28,737 14,738 1,739 22,741 30,742 12,743 10,744 3,745 3,746 2,748 3,749 6,750 1,762 12,767 2,772 2,776 2,780 1,783 8,784 7,785 4,786 8,787 1,792 5,797 0.333,798 2,808 1,816 2,817 1,821 2,843 1,848 1,851 20,852 1,860 2,873 1,874 7.1,877 2,881 10.667,882 5.043,883 4.306,884 1.46,886 2.7,887 1.388,888 1.023,889 3.044,890 9.659,891 3.434,892 4.06,893 4.635,894 5.211,895 5.769,896 5.996,897 6.397,898 6.701,899 7.066,900 7.38,901 0.8,902 37,903 7.337,905 3.252,906 8.222,907 13.194,909 10.733,911 2.722,912 54.444,916 47.084,917 64.599,918 102.245,919 39.149,920 50.29,923 64.599,924 136.523,925 102.245,927 50.908,928 37.905,929 93.025,930 29.895,931 44.548,932 47.084,934 47.084,935 166.843,936 50.29,937 39.149,939 47.084,940 50.29,943 68.919,944 64.599,945 33.326,946 39.149,947 47.084,948 152.535,949 103.747,952 47.084,953 26.694,954 37.905,955 36.022,956 155.662,957 47.084,958 152.535,959 103.747,961 0.594,962 0.35,963 0.194,964 0.114,965 17,966 8,967 0.033,968 1,969 2,970 1.267,971 3.053,972 160.498,973 0.267,974 15,975 86.439,981 12.844,982 4.74,983 2.23,985 152.535,986 6.208,987 7.495,991 1.592,993 68.919,994 303.366,995 30,1000 23.553,1004 -1.015,1007 29.255,1008 31.685,1009 0.401,1010 0.733,1011 0.896,1012 0.985,1013 0.985,1014 0.985,1015 4.682,1016 1,1017 5.572,1018 3.125,1019 4.174,1020 4.745,1021 1.701,1022 6.425,1023 4.099,1024 5.918,1025 0.342,1026 7.162,1027 2.591,1028 3.892,1029 4.663,1031 7.405,1032 3.779,1033 7.245,1034 0.017,1035 8.85,1036 0.861,1037 5.808,1038 6.955,1039 1.687,1040 10.52,1041 5.683,1042 8.606,1043 -0.436,1044 10.595,1045 0.044,1046 6.293,1047 7.632,1049 12.303,1050 6.154,1051 9.993,1052 -0.751,1053 12.375,1054 -1.08,1055 7.729,1056 9.445,1057 1.721,1058 14.941,1059 7.572,1060 11.402,1061 -0.873,1062 14.18,1063 -2,1064 8.566,1065 10.479,1067 17.058,1068 8.401,1069 12.826,1070 -1,1071 16.002,1072 -2.094,1073 9.814,1074 12.088,1075 1.766,1076 19.525,1077 9.629,1078 3.183,1079 -1,1080 17.838,1081 -2.233,1082 10.816,1083 13.302,1085 21.783,1086 10.618,1087 2.9,1088 10.847,1089 19.684,1090 -2.805,1091 11.991,1092 14.814,1093 1.817,1094 24.185,1095 11.772,1096 2.356,1097 9.81,1098 21.538,1099 4.169,1100 13.068,1101 16.121,1103 26.504,1104 12.832,1105 2.126,1106 7.104,1107 23.399,1108 3.933,1109 14.218,1110 17.584,1111 1.874,1112 28.883,1113 13.96,1114 2.035,1115 5.995,1116 25.265,1117 3.03,1118 15.329,1119 18.94,1121 31.229,1122 15.051,1123 1.416,1124 5.823,1125 27.135,1126 2.827,1127 16.471,1128 20.379,1129 1.935,1130 33.6,1131 16.17,1132 1.273,1133 3.449,1134 29.008,1135 2.559,1136 17.599,1137 21.761,1139 35.958,1140 17.275,1141 3172,1142 6573,1143 14.334,1144 20.318,1145 33.846,1146 35.552,1147 34.936,1148 33.426,1149 33.295,1150 44.49,1151 4.876,1152 99.298,1153 31.883,1154 5.351,1155 5.646,1156 6.217,1157 5.201,1158 5.183,1159 7.169,1160 2.117,1161 17.961,1162 5.108,1163 10.533,1164 1.538,1165 1.616,1166 1.588,1167 1.519,1168 1.513,1169 2.022,1170 0.222,1171 4.514,1172 1.449,1173 4.021,1174 4.054,1175 4.041,1176 3.912,1177 7.438,1178 3.925,1179 3.789,1180 3.818,1181 3.862,1182 3.683,1183 7.429,1184 3.694,1185 3.385,1186 3.434,1187 3.468,1188 3.121,1189 5.131,1190 3.164,1191 3.218,1192 3.262,1193 3.263,1194 2.991,1195 4.9,1196 3.012,1197 3.044,1198 3.119,1199 3.085,1200 2.749,1201 4.695,1202 2.808,1203 2.741,1204 2.79,1205 2.799,1206 2.614,1207 4.44,1208 2.611,1209 2.589,1210 2.665,1211 2.536,1212 2.357,1213 3.983,1214 2.374,1215 2.439,1216 2.545,1217 2.353,1218 2.097,1219 3.801,1220 2.146,1221 0.205,1222 0.166,1223 0.304,1224 0.189,1225 0.145,1226 4.519,1227 0.189,1228 3.646,1229 0.048,1230 6.698,1231 0.493,1232 4.16,1233 0.141,1234 3.183,1235 4.169,1236 1.058,1237 10.847,1238 3.108,1239 1.909,1240 1.886,1241 1.99,1242 2.018,1243 1.109,1244 2.009,1245 1.778,1246 1.751,1247 1.81,1248 1.942,1249 0.889,1250 1.91,1251 1.24,1252 1.2,1253 1.403,1254 1.568,1255 0.282,1256 1.52,1257 1.093,1258 1.043,1259 1.266,1260 1.389,1261 0.268,1262 1.354,1263 0.966,1264 0.92,1265 1.103,1266 1.219,1267 0.029,1268 1.204,1269 0.644,1270 0.568,1271 0.925,1272 0.912,1274 0.919,1275 0.496,1276 0.419,1277 0.68,1278 0.804,1280 0.784,1281 0.216,1282 0.151,1283 0.492,1284 0.593,1286 0.565,1287 3.807,1289 5.153,1291 6.693,1292 2.708,1293 8.325,1294 5.38,1295 10.004,1298 5.733,1301 5.319,1305 5.56,1314 20.418,1315 53.977,1316 98.606,1317 120.606,1318 132.606,1319 132.606,1320 132.606,1321 36.248,1322 6.959,1323 117.52,1324 117.52,1325 19,1326 12.365,1327 3.907,1328 3.17,1329 29.649,1330 54,1331 48,1332 0.3,1333 130.576,1334 223.95,1335 310.365,1336 8564,1337 3.6,1338 14.276,1339 0.714,1340 0.537,1341 14.776,1342 10.732,1343 9.559,1344 0.434,1345 0.272,1346 5.535,1347 8.84,1348 5.434,1349 4.473,1350 9.847,1351 5.982,1352 9.054,1353 0.283,1354 0.14,1355 9.462,1356 4.488,1357 7.415,1358 0.172,1359 0.07,1360 7.677,1361 3.015,1362 6.36,1363 0.11,1364 0.036,1365 6.58,1366 2.085,1367 5.504,1368 0.071,1369 0.019,1370 5.823,1371 1.44,1372 0.44,1373 63.695,1374 0.264,1375 19.08,1376 0.921,1377 108,1378 390.943,1379 137.23,1380 408.465,1381 539.38,1382 376,1383 129,1384 374.95,1385 152.036,1386 386.644,1387 565.83,1388 363,1389 5.6}
{0 CHEMBL1968127,1 1.605,2 11.5,3 4.53,4 20.519,5 115.058,6 7.428,7 0.636,8 4.112,9 4.242,10 3.681,11 3.593,12 5.226,13 3.589,14 4.65,15 4.85,16 4.064,17 3.99,18 5.727,19 3.972,20 4.845,21 5.038,22 4.059,23 4.138,24 5.89,25 4.069,26 5.076,27 5.381,28 4.041,29 4.147,30 5.946,31 4.062,32 4.888,33 5.092,34 4.099,35 4.164,36 5.918,37 4.095,38 5.077,39 5.368,40 4.058,41 4.129,42 6.048,43 4.051,44 4.772,45 4.986,46 3.94,47 3.993,48 5.839,49 3.924,50 4.747,51 4.997,52 3.758,53 3.873,54 5.832,55 3.784,56 0.035,57 0.922,58 11.355,59 4.582,60 7.925,61 6.282,62 0.414,63 1.442,64 22.294,65 7.445,66 30.759,67 10.504,68 0.221,69 1.724,70 26.514,71 9.844,72 34.375,73 13.746,74 0.638,75 1.79,76 39.601,77 10.802,78 60.239,79 17.082,80 0.274,81 1.693,82 27.827,83 9.893,84 28.684,85 14.425,86 0.748,87 1.772,88 39.314,89 10.554,90 69.959,91 16.462,92 0.392,93 1.517,94 25.868,95 8.821,96 32.64,97 12.64,98 0.542,99 1.428,100 26.673,101 7.853,102 59.099,103 11.737,104 31,105 48,106 0.263,107 0.613,108 0.773,109 0.808,110 0.808,111 0.808,112 3.441,113 0.887,114 -4.66,115 -4.58,116 -4.31,119 40,120 2,123 1,124 2,125 2,142 5,143 1,144 1,145 1,146 2,150 1,151 2,152 1,162 1,172 6,174 4,175 4,178 2,180 1,183 5,187 1,188 6,193 2,196 2,199 1,200 9,203 1,205 1,208 1,212 2,213 11,216 1,221 2,224 3,225 5,228 1,230 1,233 3,237 1,238 3,241 1,243 2,246 2,250 6,255 2,258 1,263 1,264 3,272 4,276 1558,277 19.809,278 19.809,279 19.809,280 19.809,281 19.809,282 17.407,283 14.469,284 11.527,285 20.303,286 16.324,287 16.324,288 16.324,289 16.324,290 16.324,291 12.705,292 21.18,293 5.5,294 17.183,295 4.177,296 2.043,297 1.066,298 0.855,299 0.855,300 0.855,301 4.132,305 1,306 1,307 739,308 4,311 138.31,312 176.397,314 112.962,319 1.7,320 27.185,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 65.5,332 345,333 4.736,334 3.328,335 7.02,336 4.276,337 3.325,338 4.679,339 0.8,340 12.057,341 3.18,342 4.218,343 3.262,344 6.734,345 4.199,346 3.209,347 3.71,348 0.4,349 11.007,350 3.165,351 4.062,352 2.909,353 5.998,354 3.624,355 2.658,356 3.665,358 8.453,359 2.57,360 4.036,361 2.701,362 5.789,363 3.552,364 2.618,365 3.21,367 8.013,368 2.442,369 3.645,370 2.498,371 5.284,372 3.203,373 2.264,374 3.066,376 6.611,377 2.112,378 3.435,379 2.382,380 5.031,381 3.044,382 2.108,383 2.74,385 6.004,386 1.96,387 3.021,388 2.204,389 4.594,390 2.917,391 2.006,392 2.113,394 4.823,395 1.824,396 2.912,397 1.524,398 4.539,399 2.423,400 1.459,401 2.084,403 4.265,404 1.403,405 2.897,406 1.451,407 4.404,408 2.353,409 1.414,410 2.01,412 3.97,413 1.322,414 2.627,415 1.159,416 3.543,417 2.079,418 1.145,419 1.687,421 2.618,422 1.067,423 2.5,424 1,425 3.438,426 2,427 1,428 1.5,430 2.275,431 1,432 2.436,433 0.985,434 3.414,435 1.92,436 0.951,437 1.405,439 2.253,440 0.918,441 1.768,442 0.853,443 3.404,444 1.568,445 0.643,446 0.705,448 1.551,449 0.594,450 1.697,451 0.359,452 3.243,453 1.19,454 0.24,455 0.343,457 0.673,458 0.227,459 1.148,460 0.2,461 2.742,462 0.734,463 -0.181,464 -0.23,466 -0.409,467 -0.16,468 14.019,469 0.467,470 0.937,471 0.031,472 39.25,473 1.308,474 18.5,475 0.617,476 20.75,477 0.692,478 26.318,479 0.877,480 32.781,481 0.596,482 30.577,483 1.019,484 7.726,485 0.258,486 6.595,487 0.22,488 0.163,489 0.036,490 0.307,494 1,496 0.768,497 1.426,498 0.763,499 1.228,500 0.618,501 1.033,502 0.803,503 0.843,504 0.75,505 0.754,506 0.546,507 0.735,508 0.899,509 1.391,510 1.088,511 1.383,512 0.91,513 1.297,514 0.828,515 0.624,516 0.722,517 0.521,518 0.654,519 0.564,520 0.635,521 1.175,522 0.988,523 1.282,524 0.455,525 1.214,526 0.901,527 0.569,528 0.808,529 0.588,530 0.614,531 0.646,532 0.854,533 1.179,534 1.001,535 1.203,536 0.799,537 1.151,538 0.949,539 1.012,540 1.098,541 1.021,542 0.936,543 1.062,544 7.5,545 0.225,546 3.333,547 2.319,548 1.779,549 0.942,550 0.67,551 0.615,552 0.382,553 0.372,554 11293,555 29363,556 2.059,557 45.5,558 6,559 15,560 2,561 1,562 1,567 1.732,568 1.905,569 3.447,570 -0.316,577 88.261,578 1.605,579 3.738,580 4.715,581 4.926,582 4.926,583 4.926,584 2.921,585 4.44,586 4.875,587 3.636,588 1581.57,589 8.524,590 21728.6,592 1,595 317.975,596 1.615,597 4.82,598 0.227,599 0.009,600 0.069,601 0.052,602 0.039,603 0.02,604 0.015,605 0.016,606 0.012,607 0.013,608 0.472,609 0.17,610 1,611 1.412,612 153.401,613 -0.032,614 -0.307,615 0.069,616 -0.155,617 -0.048,618 -0.047,619 0.108,620 0.193,621 0.174,622 0.224,623 0.133,624 0.214,625 -0.065,626 -0.322,627 -0.187,628 -0.345,629 -0.05,630 -0.305,631 -0.026,632 0.214,633 0.292,634 0.387,635 0.041,636 0.409,637 0.04,638 -0.236,639 -0.098,640 -0.28,641 0.018,642 -0.23,643 0.014,644 0.249,645 0.211,646 0.304,647 0.063,648 0.303,649 0.082,650 -0.196,651 -0.061,652 -0.199,653 0.017,654 -0.171,655 0.053,656 -0.011,657 -0.112,658 -0.076,659 0.078,660 -0.11,661 1.961,662 5.407,663 0.667,664 30.258,665 1.005,666 1.14,667 3.43,668 11.766,669 0.655,670 3.526,671 3.892,672 4.127,673 4.454,674 4.663,675 4.82,676 5.011,677 5.13,678 5.252,679 5.257,680 6.735,681 0.627,682 408.53,683 3.526,684 5.094,685 5.943,686 6.849,687 7.724,688 8.637,689 9.526,690 10.444,691 11.342,692 12.262,693 10.9,696 1,698 1,701 1,703 3,708 1,709 8,710 3,712 1,714 6,716 21,728 1,734 1,735 55,737 21,738 1,739 33,741 58,742 22,743 15,744 2,745 4,748 4,749 5,754 2,755 1,762 15,763 7,780 1,781 1,783 25,784 7,785 1,786 8,789 1,792 6,797 0.75,798 1,802 1,810 1,815 2,816 2,818 1,839 1,843 3,847 4,849 1,851 30,858 2,860 1,864 1,865 1,873 1,874 1.8,879 1,881 15.75,882 11.226,883 6.389,884 3.102,886 4.06,887 1.519,888 0.974,889 5.589,890 11.889,891 3.795,892 4.443,893 5.051,894 5.725,895 6.278,896 6.732,897 7.253,898 7.667,899 8.11,900 8.41,901 0.875,902 45,903 11.063,905 4.671,906 7.731,907 21.102,909 17.153,911 2.231,912 66.917,914 1,915 1,916 282.506,917 142.325,918 72.778,920 9.507,921 14.96,923 142.325,924 292.014,925 87.738,926 34.443,927 4.211,928 68.168,929 80.138,930 44.764,931 43.158,932 247.193,934 282.506,935 215.103,936 24.467,939 297.467,940 9.507,943 46.711,944 100.024,945 68.367,947 297.467,948 82.285,949 142.325,952 282.506,953 30.666,954 116.07,955 18.011,956 74.824,957 282.506,958 97.246,959 142.325,961 0.591,962 0.322,963 0.181,964 0.096,965 24,966 11,967 0.121,968 7,969 1,970 1.1,971 4.049,972 273.78,973 0.1,974 20,975 139.207,981 20.517,982 8.172,983 4.555,984 0.449,985 95.959,986 13.15,987 13.677,989 5.479,991 3.173,993 18.011,994 522.077,995 43.5,1007 55.287,1008 62.691,1009 0.278,1010 0.647,1011 0.816,1012 0.852,1013 0.852,1014 0.852,1015 5.051,1016 1.459,1017 5.974,1018 4.823,1019 4.575,1020 5.13,1021 0.824,1022 6.834,1023 4.478,1024 6.291,1025 1.414,1026 7.564,1027 4.265,1028 4.369,1029 5.027,1030 0.325,1031 7.993,1032 4.24,1033 7.622,1034 1.145,1035 9.26,1036 3.97,1037 6.256,1038 7.387,1039 0.413,1040 11.03,1041 6.084,1042 8.99,1043 1,1044 11.019,1045 2.618,1046 6.836,1047 8.112,1048 0.268,1049 13,1050 6.644,1051 10.389,1052 0.951,1053 12.821,1054 2.275,1055 8.255,1056 9.972,1057 0.246,1058 15.628,1059 8.026,1060 11.812,1061 0.643,1062 14.652,1063 2.253,1064 9.173,1065 11.102,1066 0.188,1067 17.902,1068 8.925,1069 13.254,1070 0.24,1071 16.503,1072 1.551,1073 10.428,1074 12.759,1075 0.157,1076 20.412,1077 10.148,1078 3.325,1079 -0.181,1080 18.371,1081 0.673,1082 11.495,1083 14.096,1084 0.125,1085 22.803,1086 11.191,1087 3.209,1088 12.057,1089 20.252,1090 -0.409,1091 12.695,1092 15.672,1093 0.102,1094 25.28,1095 12.361,1096 2.658,1097 11.007,1098 22.142,1099 4.679,1100 13.826,1101 17.112,1102 0.082,1103 27.716,1104 13.465,1105 2.618,1106 8.453,1107 24.04,1108 3.71,1109 15.009,1110 18.658,1111 0.067,1112 30.185,1113 14.618,1114 2.264,1115 8.013,1116 25.944,1117 3.665,1118 16.169,1119 20.15,1120 0.054,1121 32.642,1122 15.749,1123 2.108,1124 6.611,1125 27.854,1126 3.21,1127 17.351,1128 21.687,1129 0.043,1130 35.111,1131 16.899,1132 2.006,1133 6.004,1134 29.768,1135 3.066,1136 18.524,1137 23.203,1138 0.035,1139 37.577,1140 18.041,1141 10955,1142 17971,1143 21.671,1144 36.04,1145 51.067,1146 50.44,1147 51.411,1148 50.14,1149 50.081,1150 65.834,1151 2.4,1152 149.149,1153 47.567,1154 5.633,1155 5.328,1156 6.569,1157 5.351,1158 5.325,1159 7.679,1160 1.2,1161 19.41,1162 5.18,1163 16.511,1164 1.547,1165 1.528,1166 1.558,1167 1.519,1168 1.518,1169 1.995,1170 0.073,1171 4.52,1172 1.441,1173 4.17,1174 4.205,1175 4.153,1176 3.997,1177 8.201,1178 4.028,1179 3.86,1180 3.924,1181 3.806,1182 3.751,1183 5.266,1184 3.762,1185 3.854,1186 3.882,1187 3.782,1188 3.695,1189 4.976,1190 3.7,1191 3.736,1192 3.794,1193 3.647,1194 3.556,1195 4.646,1196 3.581,1197 3.455,1198 3.552,1199 3.274,1200 3.215,1201 4.408,1202 3.215,1203 3.207,1204 3.253,1205 3.154,1206 3.049,1207 4.245,1208 3.067,1209 3.085,1210 3.174,1211 2.927,1212 2.853,1213 4.151,1214 2.86,1215 2.874,1216 3.009,1217 2.721,1218 2.735,1219 3.933,1220 2.715,1221 0.144,1222 0.101,1223 0.213,1224 0.13,1225 0.101,1226 4.736,1227 0.142,1228 3.328,1229 0.024,1230 7.02,1231 0.365,1232 4.276,1233 0.096,1234 3.325,1235 4.679,1236 0.8,1237 12.057,1238 3.18,1239 1.92,1240 1.895,1241 2.028,1242 2.039,1243 1.325,1244 2.031,1245 1.825,1246 1.772,1247 2,1248 1.984,1249 1.11,1250 1.994,1251 1.752,1252 1.704,1253 1.852,1254 1.92,1255 0.913,1256 1.908,1257 1.48,1258 1.417,1259 1.755,1260 1.734,1261 0.851,1262 1.736,1263 1.428,1264 1.332,1265 1.6,1266 1.68,1267 0.644,1268 1.665,1269 1.313,1270 1.298,1271 1.417,1272 1.632,1273 0.531,1274 1.558,1275 1.141,1276 1.103,1277 1.417,1278 1.375,1279 0.469,1280 1.39,1281 1.045,1282 0.955,1283 1.408,1284 1.272,1285 0.469,1286 1.308,1287 4.205,1289 5.557,1290 3.045,1291 7.081,1292 5.416,1293 8.689,1294 7.535,1295 10.348,1297 8.516,1299 13.407,1303 1.666,1305 3.35,1309 2.163,1310 0.052,1314 34.494,1315 88.261,1316 205.61,1317 259.346,1318 270.955,1319 270.955,1320 270.955,1321 49.734,1322 7.828,1323 71.49,1324 71.49,1325 22,1326 12.775,1327 4.459,1328 3.524,1329 46.908,1330 118,1331 128,1332 0.192,1333 211.842,1334 353.22,1335 508.654,1336 27460,1337 1.8,1338 21.303,1339 0.71,1340 0.585,1341 20.433,1342 17.555,1343 14.321,1344 0.434,1345 0.296,1346 9.573,1347 13.621,1348 9.189,1349 7.745,1350 13.927,1351 9.758,1352 13.945,1353 0.291,1354 0.175,1355 13.323,1356 8.393,1357 10.505,1358 0.172,1359 0.078,1360 10.095,1361 4.747,1362 9.355,1363 0.11,1364 0.043,1365 9.204,1366 3.646,1367 7.142,1368 0.068,1369 0.019,1370 6.912,1371 1.991,1372 0.298,1373 90.746,1374 0.215,1375 28.125,1376 0.533,1377 162,1378 508.405,1379 181.529,1380 467.993,1381 642.15,1382 438,1383 190,1384 482.767,1385 210.664,1386 486.455,1387 712.23,1388 452,1389 5.1}
{0 CHEMBL1968151,1 1.843,2 7.158,3 1.504,4 2.261,5 68.741,6 10.358,7 0.727,8 3.466,9 3.559,10 3.372,11 3.104,12 4.72,13 3.103,14 3.925,15 4.035,16 3.776,17 3.484,18 5.224,19 3.474,20 4.035,21 4.179,22 3.699,23 3.459,24 5.335,25 3.445,26 3.978,27 4.137,28 3.691,29 3.301,30 5.336,31 3.327,32 3.779,33 3.968,34 3.356,35 3.116,36 5.049,37 3.103,38 3.491,39 3.62,40 3.067,41 2.961,42 4.791,43 2.934,44 3.508,45 3.642,46 3.053,47 2.969,48 4.801,49 2.892,50 3.463,51 3.67,52 2.741,53 2.737,54 4.662,55 2.553,56 0.101,57 0.472,58 2.08,59 1.896,60 3.93,61 1.528,62 0.245,63 0.763,64 5.351,65 3.226,66 10.019,67 2.656,68 0.272,69 0.796,70 8.759,71 4.191,72 23.717,73 3.561,74 0.3,75 0.772,76 7.379,77 3.25,78 21.212,79 2.273,80 0.255,81 0.609,82 6.947,83 2.889,84 17.109,85 2.414,86 0.168,87 0.418,88 3.171,89 2.181,90 14.267,91 1.825,92 0.154,93 0.417,94 3.504,95 2.544,96 14.008,97 2.232,98 0.216,99 0.405,100 8.581,101 3.354,102 21.784,103 3.22,104 2,105 32,106 0.351,107 0.703,108 0.817,109 0.837,110 0.837,111 0.837,112 3.013,113 0.883,114 -3.24,115 -3.23,116 -3.1,119 46.2,142 3,143 2,145 2,149 1,151 1,153 1,159 1,161 1,166 1,172 3,174 3,175 6,178 2,180 2,183 3,187 1,188 9,191 1,193 1,199 1,200 7,203 1,208 1,212 2,213 3,218 1,221 3,224 1,225 2,230 2,233 3,238 1,246 2,249 1,250 1,253 1,264 1,276 332,277 13.223,278 13.223,279 13.223,280 13.223,281 13.223,282 11.29,283 10.18,284 7.757,285 13.688,286 10.898,287 10.898,288 10.898,289 10.898,290 10.898,291 7.929,292 14.401,293 3.709,294 11.63,295 2.857,296 1.01,297 0.414,298 0.308,299 0.308,300 0.308,301 3.713,305 1,306 1,307 309,308 1.871,311 59.544,312 81.385,315 106.234,318 72.151,319 1.114,320 17.769,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 41.5,332 136,333 4.628,334 3.722,335 6.852,336 4.223,337 3.278,338 4.344,339 1.629,340 11.424,341 3.092,342 4.159,343 2.99,344 6.152,345 3.751,346 2.791,347 3.768,348 0.142,349 9.087,350 2.687,351 3.848,352 2.81,353 5.879,354 3.394,355 2.441,356 3.363,358 7.974,359 2.321,360 3.464,361 2.333,362 5.275,363 3.031,364 2.088,365 2.736,367 6.338,368 1.945,369 3.12,370 1.721,371 4.428,372 2.623,373 1.703,374 2.348,376 4.322,377 1.559,378 2.62,379 1.436,380 3.812,381 2.083,382 1.172,383 1.67,385 2.776,386 1.055,387 2.58,388 1.213,389 3.808,390 2.049,391 1.118,392 1.606,394 2.752,395 1.026,396 2.5,397 1.038,398 3.469,399 1.984,400 1,401 1.5,403 2.136,404 0.983,405 2.3,406 1,407 3.386,408 1.726,409 0.767,410 1.135,412 2.107,413 0.722,414 2.137,415 0.646,416 3.247,417 1.523,418 0.637,419 0.953,421 1.767,422 0.555,423 1.034,424 0.314,425 2.629,426 0.592,427 -0.381,428 -0.499,430 -0.96,431 -0.361,432 0.754,433 -0.588,434 2.434,435 0.304,436 -0.671,437 -0.918,439 -1.547,440 -0.652,441 0.5,442 -0.756,443 2.345,444 -0.017,445 -0.932,446 -1.126,448 -2.347,449 -0.833,450 0.354,451 -0.868,452 1.682,453 -0.049,454 -1,455 -1.5,457 -2.786,458 -0.946,459 0.194,460 -1,461 1.555,462 -0.257,463 -1.244,464 -1.789,466 -3.283,467 -1.197,468 9.167,469 0.482,470 0.432,471 0.023,472 29.5,473 1.553,474 16,475 0.842,476 13.5,477 0.711,478 10.765,479 0.567,480 18.433,481 0.709,482 17.719,483 0.933,484 5.692,485 0.3,486 3.635,487 0.191,488 0.036,490 0.371,496 0.748,497 1.111,498 0.622,499 0.769,500 0.564,501 0.693,502 0.544,503 1.022,504 0.853,505 0.946,506 0.579,507 0.852,508 1.01,509 1.214,510 1.016,511 1.076,512 0.946,513 0.999,514 1.18,515 1.216,516 0.799,517 0.995,518 1.082,519 0.91,520 1.213,521 0.7,522 0.826,523 0.681,524 1.01,525 0.769,526 1.331,527 0.75,528 0.855,529 0.792,530 1.578,531 1.025,532 1.283,533 0.972,534 1.067,535 1.074,536 1.571,537 1.305,538 0.971,539 0.878,540 1.711,541 1.419,542 1.251,543 1.491,544 3,546 2.222,547 1.097,548 1.202,549 0.587,550 0.235,551 0.108,552 0.054,553 0.007,554 3326,555 10946,556 2.239,557 26.9,559 3,560 1,561 2,562 1,567 1.606,568 2.151,569 2.865,570 -0.146,574 1,577 47.931,578 1.843,579 3.69,580 4.287,581 4.393,582 4.393,583 4.393,584 2.26,585 3.787,586 4.222,587 2.953,588 505.015,589 7.204,590 4754.6,591 1,592 1,594 1,595 122.211,596 1.211,597 4.203,598 0.136,600 0.069,601 0.037,602 0.045,603 0.029,604 0.015,605 0.008,606 0.007,607 0.003,608 0.349,609 0.67,610 1,611 0.447,612 80.233,613 -0.065,614 -0.091,615 0.034,616 0.025,617 -0.078,618 0.016,619 0.25,620 0.026,621 -0.051,622 -0.073,623 0.03,624 -0.098,625 -0.056,626 -0.243,627 -0.107,628 -0.149,629 0.008,630 -0.096,631 -0.086,632 -0.186,633 0.063,634 -0.138,635 -0.041,636 -0.058,637 -0.172,638 0.287,639 0.072,640 0.209,641 -0.016,642 0.21,643 -0.249,644 0.128,645 -0.169,646 0.022,647 -0.197,648 -0.138,649 -0.25,650 -0.129,651 -0.168,652 -0.113,653 -0.216,654 -0.314,655 0.096,656 -0.005,657 -0.209,658 -0.098,659 -0.024,660 -0.185,661 1.947,662 4.935,663 0.947,664 11.446,665 1.031,666 1.117,667 2.01,668 4.039,669 0.765,670 3.135,671 3.497,672 3.85,673 4.19,674 4.419,675 4.585,676 4.727,677 4.868,678 4.86,679 4.844,680 4.385,681 0.751,682 269.31,683 3.135,684 4.691,685 5.58,686 6.488,687 7.396,688 8.312,689 9.228,690 10.149,691 11.068,692 11.991,693 19.2,700 1,701 1,703 3,709 6,710 3,713 1,714 5,715 1,716 16,735 26,737 17,739 22,741 29,742 12,743 11,746 1,748 4,749 7,753 1,762 12,767 1,772 1,776 1,780 1,783 7,784 5,785 1,786 7,787 1,792 5,797 0.5,798 1,809 1,815 2,816 2,819 2,822 1,843 2,845 1,851 19,860 1,869 1,871 1,874 3.8,877 1,881 8.833,882 4.883,883 4.056,884 1.458,886 3.04,887 1.426,888 1.082,889 2.259,890 10.167,891 3.466,892 4.111,893 4.771,894 5.421,895 5.876,896 6.311,897 6.751,898 7.172,899 7.502,900 7.779,901 0.8,902 30,903 6.974,905 3.092,906 7.833,907 13.078,909 10.972,911 2.333,912 44.333,913 0.001,916 70.627,917 101.683,918 70.021,920 25.145,922 31.278,923 70.405,924 95.772,925 70.021,927 18.011,928 36.078,929 101.249,930 29.5,931 16.047,932 66.591,934 70.627,935 140.426,936 25.145,937 31.278,939 72.955,940 25.145,943 41.14,944 46.725,945 50.234,946 31.278,947 70.627,948 95.166,949 101.683,952 70.627,953 47.51,954 55.949,955 18.011,956 75.379,957 70.627,958 95.166,959 101.683,961 0.587,962 0.356,963 0.206,964 0.11,965 19,966 7,967 0.034,968 1,969 2,970 1.222,971 3.196,972 153.638,973 0.222,974 18,975 76.711,977 1,981 10.821,982 3.967,983 1.603,985 93.39,986 10.816,987 12.661,990 1.475,991 3.642,992 1.296,993 18.011,994 267.476,995 31,1000 11.935,1004 -0.28,1007 26.796,1008 29.036,1009 0.392,1010 0.785,1011 0.912,1012 0.935,1013 0.935,1014 0.935,1015 4.7,1016 1,1017 5.572,1018 2.752,1019 4.174,1020 4.796,1021 1.701,1022 6.438,1023 4.055,1024 5.924,1025 0.767,1026 7.157,1027 2.136,1028 3.761,1029 4.543,1030 1.195,1031 7.413,1032 3.616,1033 7.244,1034 0.637,1035 8.845,1036 2.107,1037 5.808,1038 7.022,1039 2.344,1040 10.575,1041 5.586,1042 8.604,1043 -0.381,1044 10.596,1045 1.767,1046 6.275,1047 7.67,1048 2.262,1049 12.401,1050 6.014,1051 9.999,1052 -0.671,1053 12.386,1054 -0.96,1055 7.763,1056 9.542,1057 3.143,1058 15.067,1059 7.438,1060 11.42,1061 -0.932,1062 14.203,1063 -1.547,1064 8.618,1065 10.605,1066 3.301,1067 17.232,1068 8.244,1069 12.86,1070 -1,1071 16.038,1072 -2.347,1073 9.897,1074 12.23,1075 4.023,1076 19.738,1077 9.464,1078 3.278,1079 -1.244,1080 17.887,1081 -2.786,1082 10.928,1083 13.492,1084 4.321,1085 22.048,1086 10.439,1087 2.791,1088 11.424,1089 19.747,1090 -3.283,1091 12.132,1092 15.013,1093 4.946,1094 24.501,1095 11.584,1096 2.441,1097 9.087,1098 21.615,1099 4.344,1100 13.242,1101 16.373,1102 5.326,1103 26.877,1104 12.634,1105 2.088,1106 7.974,1107 23.49,1108 3.768,1109 14.422,1110 17.853,1111 5.892,1112 29.312,1113 13.755,1114 1.703,1115 6.338,1116 25.371,1117 3.363,1118 15.567,1119 19.261,1120 6.319,1121 31.718,1122 14.84,1123 1.172,1124 4.322,1125 27.257,1126 2.736,1127 16.742,1128 20.725,1129 6.852,1130 34.15,1131 15.954,1132 1.118,1133 2.776,1134 29.147,1135 2.348,1136 17.905,1137 22.159,1138 7.305,1139 36.57,1140 17.057,1141 3100,1142 5752,1143 15.315,1144 19.892,1145 34.533,1146 34.848,1147 34.438,1148 33.955,1149 33.992,1150 46.845,1151 3.542,1152 101.367,1153 31.887,1154 5.508,1155 5.722,1156 6.654,1157 5.344,1158 5.278,1159 7.344,1160 2.86,1161 18.943,1162 5.028,1163 4.961,1164 1.57,1165 1.584,1166 1.565,1167 1.543,1168 1.545,1169 2.129,1170 0.161,1171 4.608,1172 1.449,1173 4.074,1174 4.116,1175 4.268,1176 3.98,1177 7.43,1178 3.956,1179 3.836,1180 3.869,1181 3.907,1182 3.773,1183 5.068,1184 3.758,1185 3.554,1186 3.593,1187 3.654,1188 3.378,1189 4.834,1190 3.392,1191 3.185,1192 3.229,1193 3.151,1194 2.884,1195 4.557,1196 2.946,1197 2.854,1198 2.925,1199 2.751,1200 2.735,1201 3.818,1202 2.715,1203 2.676,1204 2.744,1205 2.687,1206 2.541,1207 3.681,1208 2.522,1209 2.489,1210 2.541,1211 2.461,1212 2.274,1213 3.674,1214 2.292,1215 2.257,1216 2.305,1217 2.385,1218 2.193,1219 3.561,1220 2.115,1221 0.21,1222 0.169,1223 0.311,1224 0.192,1225 0.149,1226 4.628,1227 0.197,1228 3.722,1229 0.074,1230 6.852,1231 0.519,1232 4.223,1233 0.141,1234 3.278,1235 4.344,1236 1.629,1237 11.424,1238 3.092,1239 1.839,1240 1.804,1241 1.939,1242 1.966,1243 0.978,1244 1.959,1245 1.702,1246 1.669,1247 1.741,1248 1.918,1249 0.882,1250 1.866,1251 1.377,1252 1.366,1253 1.416,1254 1.499,1255 0.588,1256 1.517,1257 1.137,1258 1.09,1259 1.181,1260 1.347,1261 0.218,1262 1.33,1263 0.889,1264 0.87,1265 1.165,1266 1.096,1267 0.118,1268 1.107,1269 0.886,1270 0.821,1271 0.857,1272 1.062,1273 0.007,1274 1.063,1275 0.66,1276 0.596,1277 0.808,1278 0.943,1280 0.933,1281 0.36,1282 0.272,1283 0.613,1284 0.66,1286 0.661,1287 3.807,1289 5.153,1290 3.045,1291 6.701,1292 5.352,1293 8.344,1294 7.445,1295 10.041,1305 2.789,1314 19.536,1315 47.931,1316 95.947,1317 111.457,1318 114.211,1319 114.211,1320 114.211,1321 20.935,1322 7.128,1323 75.94,1324 104.18,1325 22,1326 12.498,1327 4.17,1328 3.322,1329 24.309,1330 52,1331 47,1332 0.25,1333 121.984,1334 195.2,1335 289.402,1336 10597,1338 12.82,1339 0.675,1340 0.547,1341 13.173,1342 10.386,1343 9.326,1344 0.424,1345 0.294,1346 5.573,1347 8.444,1348 5.425,1349 4.46,1350 9.781,1351 6.474,1352 8.525,1353 0.266,1354 0.154,1355 9.108,1356 4.916,1357 7.69,1358 0.167,1359 0.08,1360 8.314,1361 3.694,1362 6.856,1363 0.105,1364 0.042,1365 7.608,1366 2.756,1367 5.432,1368 0.066,1369 0.02,1370 5.995,1371 1.676,1372 0.372,1373 63.34,1374 0.256,1375 18.519,1376 0.746,1377 108,1378 349.509,1379 143.627,1380 360.308,1381 502.29,1382 338,1383 132,1384 371.09,1385 164.439,1386 386.065,1387 573.23,1388 364,1389 5.1}
{0 CHEMBL1968245,1 1.558,2 13.138,3 3.77,4 14.214,5 117.602,6 8.099,7 0.688,8 4.012,9 4.127,10 3.653,11 3.613,12 5.15,13 3.588,14 4.498,15 4.645,16 3.998,17 3.987,18 5.586,19 3.94,20 4.743,21 4.938,22 4.043,23 4.091,24 5.794,25 4.001,26 4.781,27 5.013,28 3.851,29 4.026,30 5.698,31 3.902,32 4.69,33 4.919,34 3.825,35 3.948,36 5.656,37 3.835,38 4.685,39 4.904,40 3.889,41 3.935,42 5.741,43 3.829,44 4.67,45 4.908,46 3.786,47 3.878,48 5.674,49 3.765,50 4.493,51 4.711,52 3.803,53 3.769,54 5.537,55 3.679,56 0.029,57 0.71,58 8.957,59 4.199,60 10.748,61 5.346,62 0.138,63 1.105,64 16.834,65 7.032,66 20.594,67 8.986,68 0.34,69 1.34,70 24.993,71 9.651,72 38.706,73 12.675,74 0.247,75 1.339,76 29.4,77 10.583,78 34.708,79 14.033,80 0.229,81 1.255,82 26.589,83 9.382,84 34.367,85 12.494,86 0.329,87 1.241,88 26.955,89 8.966,90 43.745,91 11.816,92 0.273,93 1.177,94 30.39,95 9.309,96 42.268,97 12.193,98 0.226,99 1.008,100 21.594,101 7.455,102 32.414,103 9.574,104 5,105 43,106 0.259,107 0.622,108 0.803,109 0.877,110 0.891,111 0.891,112 3.407,113 0.913,114 -3.39,115 -3.37,116 -3.23,119 46,121 1,125 1,127 1,135 2,142 7,143 4,144 1,145 3,147 1,151 1,152 1,163 1,164 1,165 1,172 12,175 5,180 4,183 12,185 1,187 1,188 6,190 1,191 1,193 4,196 10,198 1,200 4,205 2,208 7,210 1,213 4,217 1,218 2,220 1,221 5,223 2,225 6,227 1,228 2,230 4,233 4,235 4,238 6,243 2,246 5,248 2,249 1,250 2,255 2,258 7,260 1,263 1,264 1,267 1,269 3,272 7,274 1,276 1468,277 19.93,278 19.93,279 19.93,280 19.93,281 19.93,282 17.14,283 8.957,284 12.032,285 20.374,286 15.825,287 15.825,288 15.825,289 15.825,290 15.825,291 11.722,292 7.515,293 5.766,294 16.606,295 4.086,296 1.898,297 0.808,298 0.36,299 0.28,300 0.28,301 4.108,303 1,305 1,306 1,307 836,308 3.391,311 70.116,312 293.875,315 130.82,319 2.143,320 19.923,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 61.333,332 381,333 4.527,334 3.272,335 6.533,336 4.059,337 3.072,338 4.474,339 0.86,340 10.301,341 3.03,342 4.258,343 3.155,344 6.08,345 3.801,346 2.879,347 3.914,349 8.823,350 2.674,351 3.948,352 2.582,353 5.382,354 3.519,355 2.534,356 3.51,358 7.06,359 2.481,360 3.576,361 2.554,362 5.289,363 3.336,364 2.367,365 2.915,367 6.655,368 2.292,369 3.51,370 2.311,371 5.169,372 3.134,373 2.182,374 2.806,376 6.387,377 2.031,378 3.153,379 2.179,380 4.819,381 2.829,382 1.857,383 2.319,385 5.25,386 1.799,387 3.045,388 1.873,389 4.234,390 2.518,391 1.546,392 2.251,394 3.934,395 1.501,396 2.969,397 1.546,398 4.135,399 2.433,400 1.508,401 2.149,403 3.693,404 1.399,405 2.859,406 1.498,407 3.639,408 2.372,409 1.492,410 1.982,412 3.147,413 1.263,414 2.616,415 1.211,416 3.582,417 2.141,418 1.153,419 1.668,421 2.744,422 1.137,423 2.5,424 1,425 3.247,426 1.984,427 1,428 1.5,430 2.136,431 0.983,432 2.367,433 0.988,434 3.234,435 1.658,436 0.72,437 1.093,439 1.659,440 0.654,441 2.088,442 0.833,443 3.147,444 1.631,445 0.678,446 0.927,448 1.586,449 0.644,450 1.773,451 0.677,452 3.051,453 1.439,454 0.531,455 0.654,457 1.23,458 0.477,459 1.241,460 0.414,461 2.61,462 0.831,463 -0.021,464 -0.025,466 -0.048,467 -0.015,468 14.148,469 0.488,470 0.571,471 0.02,472 40.5,473 1.397,474 22,475 0.759,476 18.5,477 0.638,478 21.665,479 0.747,480 29.652,481 0.593,482 28.5,483 0.983,484 8.172,485 0.282,486 6.015,487 0.207,488 0.079,490 0.283,496 0.879,497 1.122,498 0.646,499 0.879,500 0.952,501 0.828,502 1.03,503 1.11,504 0.777,505 0.979,506 0.89,507 0.955,508 0.861,509 1.034,510 0.849,511 1.039,512 0.873,513 1.051,514 1.127,515 1.004,516 0.995,517 1.023,518 0.978,519 1.031,520 1.07,521 1.03,522 1.011,523 1.035,524 1.061,525 1.03,526 1.162,527 1.033,528 1.108,529 1.074,530 1.166,531 1.07,532 1.409,533 0.968,534 1.303,535 1.026,536 1.323,537 0.967,538 1.43,539 0.925,540 0.939,541 0.831,542 1.182,543 0.86,544 5,545 0.123,546 2.889,547 1.417,548 1.182,549 0.743,550 0.343,551 0.378,552 0.245,553 0.219,554 12707,555 34044,556 2.132,557 42,559 12,560 1,561 3,562 3,564 2,567 1.715,568 2.047,569 3.662,570 0.857,572 1,577 77.912,578 1.558,579 3.746,580 4.836,581 5.284,582 5.364,583 5.364,584 3.095,585 4.72,586 4.831,587 3.853,588 1564.22,589 8.39,590 22458.8,592 1,594 1,595 282.193,596 1.178,597 4.812,598 0.156,599 0.005,600 0.067,601 0.035,602 0.035,603 0.023,604 0.01,605 0.012,606 0.008,607 0.008,608 0.359,609 0.33,610 1,611 0.434,612 150.787,613 -0.076,614 -0.011,615 0.017,616 0.027,617 -0.142,618 0.044,619 -0.053,620 -0.05,621 -0.024,622 -0.053,623 -0.048,624 -0.055,625 0.167,626 -0.044,627 0.004,628 -0.078,629 0.088,630 -0.097,631 -0.098,632 -0.071,633 -0.036,634 -0.028,635 -0.072,636 -0.028,637 -0.054,638 -0.062,639 -0.037,640 -0.055,641 -0.027,642 -0.045,643 0.029,644 -0.042,645 -0.061,646 -0.103,647 0.033,648 -0.109,649 -0.147,650 -0.025,651 -0.079,652 -0.013,653 -0.09,654 0.032,655 -0.096,656 0.05,657 0.115,658 0.148,659 -0.015,660 0.104,661 1.499,662 2.379,663 0.724,664 30.754,665 1,666 1.118,667 2.161,668 4.669,669 0.704,670 3.497,671 3.784,672 4.025,673 4.248,674 4.431,675 4.382,676 4.443,677 4.522,678 4.533,679 4.585,680 7.709,681 0.667,682 404.93,683 3.497,684 5.017,685 5.849,686 6.703,687 7.55,688 8.408,689 9.261,690 10.12,691 10.977,692 11.838,693 8,694 1,701 1,703 2,708 2,709 11,710 2,711 1,714 5,716 22,733 1,734 1,735 50,737 23,738 1,739 32,741 53,742 23,743 18,744 2,745 4,746 2,748 4,749 5,750 1,760 2,762 20,763 3,767 1,774 2,780 1,783 21,784 4,785 3,786 6,787 1,792 4,797 0.75,798 1,809 2,811 1,815 1,816 3,819 1,834 2,836 1,843 3,848 1,851 29,852 1,858 2,861 1,863 1,873 1,874 2,879 1,881 14.167,882 8.71,883 6.417,884 2.813,886 4.547,887 1.603,888 1.011,889 6.131,890 12.093,891 3.807,892 4.41,893 5.011,894 5.582,895 6.078,896 6.231,897 6.565,898 6.894,899 6.991,900 7.262,901 0.889,902 41,903 10.651,905 4.46,906 7.642,907 20.428,909 16.598,911 2.142,912 62.111,914 1,915 1,916 211.88,917 151.192,918 83.254,919 39.149,920 11,923 151.192,924 262.028,925 83.254,927 40.024,928 94.334,929 68.884,930 72.301,931 56.136,932 164.795,934 211.88,935 234.446,936 11,937 39.149,939 188.338,940 34.542,943 83.952,944 97.97,945 52.524,946 39.149,947 211.88,948 94.254,949 190.341,952 211.88,953 29.716,954 121.476,955 16.786,956 116.617,957 211.88,958 94.254,959 190.341,961 0.573,962 0.329,963 0.176,964 0.096,965 20,966 8,967 0.132,968 7,969 1,970 1.095,971 4.282,972 242.104,973 0.095,974 21,975 136.881,981 19.496,982 9.12,983 4.97,984 2.294,985 77.468,986 21.128,987 8.23,988 3.272,991 3.975,993 49.683,994 496.474,995 44,1002 3.941,1007 50.011,1008 55.883,1009 0.276,1010 0.664,1011 0.857,1012 0.936,1013 0.95,1014 0.95,1015 5.007,1016 1.508,1017 5.802,1018 3.934,1019 4.466,1020 5.097,1021 0.908,1022 6.553,1023 4.378,1024 6.203,1025 1.492,1026 7.319,1027 3.693,1028 3.892,1029 4.745,1031 7.322,1032 3.756,1033 7.489,1034 1.153,1035 8.935,1036 3.147,1037 5.999,1038 7.309,1039 0.739,1040 10.402,1041 5.847,1042 8.814,1043 1,1044 10.612,1045 2.744,1046 6.275,1047 7.86,1049 12.05,1050 6.079,1051 10.173,1052 0.72,1053 12.329,1054 2.136,1055 7.807,1056 9.83,1057 0.593,1058 14.621,1059 7.598,1060 11.557,1061 0.678,1062 14.075,1063 1.659,1064 8.494,1065 10.835,1067 16.644,1068 8.25,1069 12.962,1070 0.531,1071 15.843,1072 1.586,1073 9.777,1074 12.536,1075 0.469,1076 19.043,1077 9.518,1078 3.072,1079 -0.021,1080 17.628,1081 1.23,1082 10.673,1083 13.778,1085 21.231,1086 10.385,1087 2.879,1088 10.301,1089 19.425,1090 -0.048,1091 11.845,1092 15.355,1093 0.366,1094 23.572,1095 11.542,1096 2.534,1097 8.823,1098 21.234,1099 4.474,1100 12.845,1101 16.718,1103 25.833,1104 12.519,1105 2.367,1106 7.06,1107 23.052,1108 3.914,1109 13.971,1110 18.239,1111 0.283,1112 28.156,1113 13.631,1114 2.182,1115 6.655,1116 24.877,1117 3.51,1118 15.022,1119 19.663,1121 30.45,1122 14.665,1123 1.857,1124 6.387,1125 26.708,1126 2.915,1127 16.132,1128 21.162,1129 0.217,1130 32.77,1131 15.76,1132 1.546,1133 5.25,1134 28.545,1135 2.806,1136 17.209,1137 22.617,1139 35.079,1140 16.824,1141 11843,1142 19535,1143 21.959,1144 35.188,1145 47.878,1146 48.098,1147 47.83,1148 47.197,1149 47.041,1150 64.323,1151 1.72,1152 129.207,1153 44.729,1154 5.431,1155 5.272,1156 6.335,1157 5.125,1158 5.072,1159 7.474,1160 1.72,1161 17.026,1162 5.03,1163 9.762,1164 1.496,1165 1.503,1166 1.495,1167 1.475,1168 1.47,1169 2.01,1170 0.054,1171 4.038,1172 1.398,1173 4.129,1174 4.164,1175 4.086,1176 4.047,1177 5.098,1178 4.051,1179 3.952,1180 3.981,1181 4.005,1182 3.869,1183 5.008,1184 3.872,1185 3.821,1186 3.854,1187 3.813,1188 3.711,1189 4.941,1190 3.719,1191 3.625,1192 3.688,1193 3.506,1194 3.482,1195 4.907,1196 3.478,1197 3.377,1198 3.438,1199 3.42,1200 3.223,1201 4.446,1202 3.227,1203 3.271,1204 3.319,1205 3.261,1206 3.143,1207 4.384,1208 3.142,1209 2.998,1210 3.065,1211 2.997,1212 2.83,1213 4.303,1214 2.828,1215 2.878,1216 2.96,1217 2.87,1218 2.735,1219 4.088,1220 2.715,1221 0.141,1222 0.102,1223 0.204,1224 0.127,1225 0.096,1226 4.527,1227 0.14,1228 3.272,1229 0.027,1230 6.533,1231 0.322,1232 4.059,1233 0.095,1234 3.072,1235 4.474,1236 0.86,1237 10.301,1238 3.03,1239 1.942,1240 1.919,1241 2.042,1242 2.025,1243 1.258,1244 2.031,1245 1.91,1246 1.884,1247 2.006,1248 2.01,1249 1.083,1250 2.012,1251 1.779,1252 1.749,1253 1.896,1254 1.926,1255 1.059,1256 1.92,1257 1.679,1258 1.626,1259 1.836,1260 1.852,1261 0.907,1262 1.854,1263 1.381,1264 1.32,1265 1.579,1266 1.622,1267 0.693,1268 1.616,1269 1.236,1270 1.19,1271 1.401,1272 1.404,1273 0.43,1274 1.412,1275 1.035,1276 0.977,1277 1.276,1278 1.244,1279 0.378,1280 1.26,1281 0.886,1282 0.821,1283 1.181,1284 1.152,1285 0.218,1286 1.151,1287 4.174,1289 5.468,1290 2.398,1291 6.95,1292 4.727,1293 8.515,1294 6.823,1295 10.123,1298 6.203,1301 6.304,1303 1.051,1306 5.879,1308 -0.165,1314 33.369,1315 77.912,1316 187.316,1317 241.786,1318 264.193,1319 268.193,1320 268.193,1321 41.727,1322 7.546,1323 76.82,1324 76.82,1325 23,1326 12.388,1327 4.585,1328 3.7,1329 44.945,1330 134,1331 128,1332 0.157,1333 209.126,1334 352.38,1335 502.027,1336 22911,1337 2,1338 20.054,1339 0.692,1340 0.569,1341 20.554,1342 16.511,1343 14.187,1344 0.443,1345 0.304,1346 9.293,1347 13.539,1348 9.062,1349 7.523,1350 14.475,1351 9.737,1352 12.462,1353 0.29,1354 0.167,1355 12.833,1356 7.164,1357 10.396,1358 0.189,1359 0.089,1360 10.776,1361 4.896,1362 8.408,1363 0.122,1364 0.048,1365 8.643,1366 3.299,1367 6.828,1368 0.082,1369 0.027,1370 7.09,1371 2.232,1372 0.255,1373 90.901,1374 0.213,1375 28.238,1376 0.41,1377 150,1378 406.874,1379 175.568,1380 432.71,1381 589.07,1382 406,1383 173,1384 413.5,1385 195.451,1386 433.88,1387 629.1,1388 408,1389 5.1}
{0 CHEMBL1968380,1 1.525,2 14.237,3 3.655,4 13.36,5 148.213,6 6.776,7 0.286,8 4.432,9 4.57,10 3.921,11 3.892,12 5.424,13 3.869,14 5.038,15 5.248,16 4.303,17 4.321,18 5.967,19 4.272,20 5.327,21 5.562,22 4.434,23 4.515,24 6.261,25 4.439,26 5.431,27 5.678,28 4.445,29 4.554,30 6.405,31 4.474,32 5.442,33 5.683,34 4.457,35 4.572,36 6.485,37 4.487,38 5.406,39 5.644,40 4.35,41 4.546,42 6.381,43 4.44,44 5.411,45 5.686,46 4.183,47 4.452,48 6.3,49 4.321,50 5.263,51 5.539,52 4.107,53 4.326,54 6.139,55 4.205,56 0.032,57 1.179,58 18.11,59 6.578,60 11.145,61 9.87,62 0.476,63 1.902,64 35.32,65 11.066,66 36.537,67 17.074,68 0.556,69 2.349,70 47.751,71 14.58,72 54.5,73 22.827,74 0.654,75 2.456,76 53.861,77 15.746,78 79.905,79 24.541,80 1.011,81 2.478,82 54.847,83 15.761,84 111.883,85 24.678,86 0.642,87 2.419,88 52.039,89 15.848,90 80.741,91 24.641,92 0.768,93 2.258,94 53.425,95 14.967,96 86.391,97 24.141,98 0.738,99 1.93,100 46.069,101 13.81,102 76.125,103 21.436,104 41,105 60,106 0.235,107 0.541,108 0.765,109 0.845,110 0.845,111 0.845,112 3.668,113 0.983,114 -4.05,115 -4,116 -3.79,119 36.4,120 1,121 7,124 3,125 2,127 3,142 3,143 1,144 3,145 1,147 1,150 1,158 2,172 7,174 3,175 7,178 3,180 4,183 6,187 4,188 9,191 1,193 4,196 1,199 1,200 11,203 2,205 2,208 4,212 5,213 11,216 2,221 8,224 1,225 11,228 1,229 1,230 3,233 4,237 1,238 10,241 1,243 3,249 3,250 4,253 2,255 2,258 3,263 1,264 5,272 9,276 2746,277 25.825,278 25.825,279 25.825,280 25.825,281 25.825,282 24.229,283 41.796,284 14.896,285 26.489,286 20.56,287 20.56,288 20.56,289 20.56,290 20.56,291 17.857,292 69.22,293 6.879,294 21.543,295 4.742,296 2.765,297 1.313,298 0.792,299 0.792,300 0.792,301 4.37,306 1,307 1181,308 3.674,311 95.957,312 491.975,316 184.801,319 2.488,320 39.385,323 0.75,324 0.67,325 0.83,326 0.9,327 1,328 0.83,329 1,330 0.85,331 82.5,332 541,333 4.556,334 3.94,335 7.095,336 4.309,337 3.364,338 4.074,339 1.989,340 12.265,341 3.179,342 4.337,343 3.579,344 6.265,345 3.962,346 2.987,347 3.964,348 1.058,349 9.475,350 2.92,351 3.977,352 3.207,353 6.218,354 3.685,355 2.725,356 3.31,357 0.86,358 9.008,359 2.606,360 3.85,361 3.103,362 6.021,363 3.621,364 2.668,365 3.169,366 0.835,367 8.455,368 2.543,369 3.738,370 2.837,371 5.936,372 3.525,373 2.565,374 2.805,375 0.8,376 8.238,377 2.462,378 3.571,379 2.803,380 5.392,381 3.425,382 2.453,383 2.7,384 0.543,385 7.057,386 2.377,387 3.437,388 2.464,389 5.302,390 3.107,391 2.167,392 2.588,393 0.4,394 6.625,395 2.026,396 3.096,397 2.306,398 5.09,399 2.976,400 2.038,401 2.138,403 5.761,404 1.904,405 3.081,406 2.176,407 4.893,408 2.92,409 1.97,410 2.13,412 5.676,413 1.857,414 2.887,415 1.938,416 4.347,417 2.467,418 1.527,419 2.022,421 4.065,422 1.429,423 2.714,424 1.808,425 4.146,426 2.279,427 1.272,428 1.692,430 3.349,431 1.27,432 2.586,433 1.647,434 4.044,435 2.175,436 1.206,437 1.593,439 3.124,440 1.164,441 2.177,442 1.243,443 3.827,444 2.095,445 1.128,446 1.169,448 2.618,449 1.087,450 2,451 1.14,452 3.414,453 1.984,454 1,455 1,457 2.275,458 0.983,459 1.992,460 1.077,461 3.31,462 1.651,463 0.66,464 0.786,466 1.372,467 0.647,468 17.8,469 0.468,470 0.955,471 0.025,472 43.25,473 1.138,474 17,475 0.447,476 26.25,477 0.691,478 42.518,479 1.119,480 43.4,481 0.564,482 36.805,483 0.969,484 7.813,485 0.206,486 10.576,487 0.278,488 0.15,490 0.376,496 0.804,497 1.678,498 0.864,499 1.322,500 0.564,501 1.127,502 0.885,503 1.115,504 0.894,505 0.975,506 0.54,507 0.934,508 0.906,509 1.162,510 0.936,511 1.064,512 0.799,513 1.005,514 1.21,515 1.052,516 0.98,517 0.975,518 1.298,519 0.945,520 1.148,521 0.986,522 1.035,523 0.937,524 1.399,525 0.962,526 1.105,527 1.185,528 1.132,529 1.161,530 1.257,531 1.151,532 1.139,533 0.977,534 1.084,535 0.956,536 1.098,537 0.997,538 0.988,539 0.805,540 0.93,541 0.848,542 0.799,543 0.875,544 7.5,545 0.307,546 4.667,547 2.903,548 3.186,549 1.576,550 1.003,551 0.777,552 0.502,553 0.385,554 23285,555 50645,556 2.081,557 50.6,558 7,559 19,561 1,562 2,564 6,565 4,567 1.787,568 1.932,569 3.72,570 0.175,577 117.4,578 1.525,579 3.502,580 4.954,581 5.474,582 5.474,583 5.474,584 3.242,585 4.86,586 5.218,587 3.97,588 2790.61,589 9.189,590 46312.4,595 482.543,596 1.462,597 5.171,598 0.179,599 0.007,600 0.078,601 0.044,602 0.048,603 0.024,604 0.017,605 0.016,606 0.011,607 0.008,608 0.433,609 0.33,610 0.63,611 0.782,612 211.289,613 -0.021,614 -0.336,615 0.075,616 -0.128,617 0.001,618 -0.029,619 0.08,620 0.069,621 0.09,622 0.07,623 0.091,624 0.076,625 0.049,626 -0.064,627 0.047,628 -0.046,629 0.06,630 -0.006,631 -0.082,632 -0.016,633 0.025,634 0.01,635 -0.051,636 0.032,637 0.052,638 0.061,639 -0.02,640 0.043,641 -0.001,642 0.008,643 -0.073,644 -0.125,645 -0.144,646 -0.149,647 -0.099,648 -0.157,649 -0.1,650 0.002,651 -0.084,652 -0.009,653 -0.105,654 -0.036,655 0.041,656 0.15,657 0.066,658 0.117,659 0.027,660 0.099,661 1.764,662 6.135,663 0.711,664 45.526,665 0.998,666 1.14,667 2.823,668 7.97,669 0.631,670 3.761,671 4.111,672 4.431,673 4.718,674 4.984,675 5.106,676 5.242,677 5.366,678 5.481,679 5.568,680 8.367,681 0.594,682 521.74,683 3.761,684 5.323,685 6.196,686 7.093,687 7.985,688 8.888,689 9.788,690 10.694,691 11.599,692 12.508,693 9.1,696 1,699 1,700 2,701 1,703 2,709 4,710 2,714 6,716 12,723 1,728 1,730 1,733 1,735 77,737 14,738 1,739 42,741 81,742 28,743 10,744 3,745 3,746 1,748 5,749 6,754 1,757 9,760 10,762 12,763 16,767 2,772 2,776 2,783 39,784 10,785 2,786 10,792 7,797 0.8,798 3,810 1,815 1,816 4,820 1,830 1,839 1,843 4,847 4,851 38,858 9,860 2,861 1,863 3,864 3,874 3.9,877 2,879 1,881 19.667,882 14.833,883 8.417,884 5.044,886 2.423,887 1.283,888 0.96,889 8.292,890 10.981,891 3.932,892 4.454,893 4.98,894 5.488,895 6.014,896 6.284,897 6.639,898 6.973,899 7.322,900 7.645,901 1,902 66,903 14.194,905 6.108,906 7.64,907 27.632,909 23.323,911 2.14,912 81.333,916 435.531,917 123.509,918 78.966,920 61.29,923 123.509,924 496.821,925 78.966,926 36.501,927 43.088,928 28.429,929 105.041,930 58.249,931 4.227,932 423.76,934 435.531,935 202.475,936 61.29,939 317.82,940 179.001,943 83.995,944 84.909,945 33.571,947 435.531,948 140.255,949 123.509,952 435.531,953 49.532,954 83.35,955 36.022,956 94.861,957 435.531,958 140.255,959 123.509,961 0.584,962 0.359,963 0.198,964 0.11,965 29,966 14,967 0.086,968 7,969 1,970 1.074,971 4.677,972 384.045,973 0.074,974 27,975 191.421,981 27.013,982 11.665,983 5.602,985 140.255,986 7.073,987 9.424,991 3.695,993 36.022,994 699.295,995 50,1000 26.043,1004 -0.007,1007 76.832,1008 87.76,1009 0.243,1010 0.559,1011 0.791,1012 0.874,1013 0.874,1014 0.874,1015 5.215,1016 2.038,1017 6.196,1018 6.625,1019 4.796,1020 5.142,1021 2.653,1022 7.048,1023 4.707,1024 6.389,1025 1.97,1026 7.784,1027 5.761,1028 4.443,1029 4.956,1030 1.803,1031 8.03,1032 4.306,1033 7.692,1034 1.527,1035 9.47,1036 5.676,1037 6.431,1038 7.203,1039 3.28,1040 11.165,1041 6.252,1042 9.025,1043 1.272,1044 11.215,1045 4.065,1046 6.899,1047 7.827,1048 3.237,1049 12.979,1050 6.672,1051 10.392,1052 1.206,1053 12.998,1054 3.349,1055 8.353,1056 9.586,1057 4.354,1058 15.661,1059 8.083,1060 11.78,1061 1.128,1062 14.808,1063 3.124,1064 9.192,1065 10.576,1066 4.691,1067 17.843,1068 8.872,1069 13.187,1070 1,1071 16.638,1072 2.618,1073 10.452,1074 12.145,1075 5.607,1076 20.386,1077 10.085,1078 3.364,1079 0.66,1080 18.484,1081 2.275,1082 11.468,1083 13.319,1084 6.118,1085 22.741,1086 11.049,1087 2.987,1088 12.265,1089 20.344,1090 1.372,1091 12.661,1092 14.802,1093 6.929,1094 25.245,1095 12.192,1096 2.725,1097 9.475,1098 22.215,1099 4.074,1100 13.764,1101 16.073,1102 7.524,1103 27.68,1104 13.239,1105 2.668,1106 9.008,1107 24.096,1108 3.964,1109 14.941,1110 17.512,1111 8.278,1112 30.176,1113 14.362,1114 2.565,1115 8.455,1116 25.986,1117 3.31,1118 16.087,1119 18.837,1120 8.915,1121 32.648,1122 15.45,1123 2.453,1124 8.238,1125 27.884,1126 3.169,1127 17.265,1128 20.254,1129 9.639,1130 35.146,1131 16.572,1132 2.167,1133 7.057,1134 29.789,1135 2.805,1136 18.435,1137 21.608,1138 10.3,1139 37.636,1140 17.682,1141 21931,1142 32586,1143 27.857,1144 48.586,1145 63.096,1146 64.991,1147 66.159,1148 62.827,1149 62.777,1150 73.874,1151 12.968,1152 185.722,1153 60.058,1154 5.556,1155 5.94,1156 6.69,1157 5.394,1158 5.364,1159 7.074,1160 3.465,1161 20.265,1162 5.179,1163 20.817,1164 1.502,1165 1.547,1166 1.575,1167 1.496,1168 1.495,1169 1.759,1170 0.309,1171 4.422,1172 1.43,1173 4.048,1174 4.097,1175 4.002,1176 3.903,1177 7.43,1178 3.918,1179 3.938,1180 3.976,1181 3.886,1182 3.82,1183 7.426,1184 3.83,1185 3.845,1186 3.904,1187 3.73,1188 3.689,1189 5.01,1190 3.69,1191 3.784,1192 3.839,1193 3.665,1194 3.649,1195 4.81,1196 3.649,1197 3.596,1198 3.656,1199 3.507,1200 3.429,1201 4.401,1202 3.434,1203 3.42,1204 3.486,1205 3.332,1206 3.17,1207 4.365,1208 3.201,1209 3.337,1210 3.423,1211 3.181,1212 3.075,1213 4.311,1214 3.092,1215 3.241,1216 3.314,1217 3.054,1218 2.978,1219 4.132,1220 2.983,1221 0.108,1222 0.094,1223 0.169,1224 0.103,1225 0.08,1226 4.556,1227 0.097,1228 3.94,1229 0.047,1230 7.095,1231 0.292,1232 4.309,1233 0.076,1234 3.364,1235 4.074,1236 1.989,1237 12.265,1238 3.179,1239 1.925,1240 1.899,1241 2.051,1242 2.096,1243 1.4,1244 2.071,1245 1.871,1246 1.827,1247 2.004,1248 2.047,1249 1.313,1250 2.046,1251 1.815,1252 1.755,1253 1.967,1254 1.976,1255 1.211,1256 1.976,1257 1.579,1258 1.52,1259 1.86,1260 1.774,1261 1.112,1262 1.793,1263 1.577,1264 1.507,1265 1.798,1266 1.751,1267 1.094,1268 1.78,1269 1.516,1270 1.451,1271 1.758,1272 1.701,1273 0.876,1274 1.731,1275 1.331,1276 1.264,1277 1.61,1278 1.622,1279 0.825,1280 1.614,1281 1.276,1282 1.19,1283 1.571,1284 1.568,1285 0.745,1286 1.571,1287 4.443,1289 5.784,1290 2.398,1291 7.326,1292 4.443,1293 8.965,1294 6.293,1295 10.659,1297 7.54,1303 9.06,1305 6.437,1306 5.625,1308 0.261,1309 6.183,1314 45.723,1315 117.4,1316 269.671,1317 381.465,1318 421.523,1319 421.523,1320 421.523,1321 80.143,1322 8.557,1323 102.93,1324 102.93,1325 29,1326 13.025,1327 3.907,1328 3.17,1329 59.237,1330 193,1331 224,1332 0.15,1333 278.519,1334 491.61,1335 671.346,1336 69646,1338 26.811,1339 0.706,1340 0.602,1341 26.811,1342 22.866,1343 18.389,1344 0.438,1345 0.328,1346 13.54,1347 17.558,1348 13.164,1349 10.943,1350 18.389,1351 13.766,1352 16.495,1353 0.275,1354 0.178,1355 16.495,1356 10.66,1357 14.634,1358 0.176,1359 0.099,1360 14.634,1361 8.176,1362 12.164,1363 0.11,1364 0.053,1365 12.164,1366 5.921,1367 9.969,1368 0.069,1369 0.028,1370 9.969,1371 4.01,1372 0.238,1373 116.099,1374 0.189,1375 34.488,1376 0.402,1377 204,1378 554.098,1379 226.655,1380 527.84,1381 728.12,1382 496,1383 245,1384 543.776,1385 269.849,1386 547.986,1387 810.21,1388 514,1389 5.1}
{0 CHEMBL1968406,1 1.596,2 12.467,3 4.39,4 19.268,5 122.323,6 8.148,7 0.647,8 4.048,9 4.166,10 3.738,11 3.684,12 5.172,13 3.643,14 4.555,15 4.707,16 4.154,17 4.109,18 5.666,19 4.037,20 4.792,21 4.974,22 4.202,23 4.249,24 5.815,25 4.153,26 4.843,27 5.034,28 4.197,29 4.231,30 5.902,31 4.124,32 4.849,33 5.066,34 4.02,35 4.109,36 5.91,37 4.008,38 4.739,39 4.972,40 3.85,41 3.953,42 5.801,43 3.858,44 4.634,45 4.882,46 3.648,47 3.791,48 5.687,49 3.692,50 4.453,51 4.692,52 3.542,53 3.694,54 5.474,55 3.58,56 0.038,57 0.782,58 9.587,59 4.423,60 8.863,61 5.413,62 0.238,63 1.278,64 18.499,65 8.062,66 23.997,67 10.283,68 0.167,69 1.562,70 26.66,71 10.712,72 25.394,73 13.129,74 0.144,75 1.642,76 29.7,77 11.534,78 28.165,79 14.474,80 0.272,81 1.603,82 30.624,83 10.806,84 43.235,85 13.234,86 0.258,87 1.437,88 26.931,89 9.172,90 42.104,91 11.604,92 0.315,93 1.243,94 24.178,95 8.009,96 50.217,97 10.418,98 0.291,99 1.023,100 20.944,101 7.719,102 38.089,103 9.781,104 11,105 49,106 0.263,107 0.628,108 0.767,109 0.862,110 0.881,111 0.887,112 3.441,113 0.949,114 -5.11,115 -5.01,116 -4.69,119 45.1,120 1,121 3,142 7,143 5,144 2,147 1,148 1,152 1,159 1,161 1,163 1,164 1,165 1,172 14,174 1,175 3,177 1,178 3,179 1,180 5,183 21,185 1,188 2,193 5,196 18,198 1,200 8,202 1,203 1,205 10,208 9,210 2,213 10,218 10,221 4,223 3,225 9,230 8,233 4,235 3,238 3,243 4,246 8,250 1,253 2,254 1,255 1,257 1,258 12,264 1,269 1,272 14,276 1344,277 20.627,278 20.627,279 20.627,280 20.627,281 20.627,282 17.885,283 24.231,284 11.997,285 21.047,286 16.77,287 16.77,288 16.77,289 16.77,290 16.77,291 12.469,292 29.077,293 5.656,294 17.475,295 4.076,296 1.861,297 1.018,298 0.446,299 0.329,300 0.289,301 4.153,305 1,306 1,307 837,308 3.317,311 46.988,312 265.514,315 175.95,316 91.166,319 1.969,320 22.595,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 63.5,332 374,333 4.774,334 3.565,335 7.107,336 4.333,337 3.368,338 4.724,339 1.656,340 12.368,341 3.261,342 4.239,343 3.431,344 6.267,345 3.815,346 2.845,347 3.912,348 0.247,349 9.349,350 2.753,351 4.092,352 2.918,353 5.679,354 3.706,355 2.726,356 3.682,358 7.922,359 2.672,360 3.804,361 2.803,362 5.611,363 3.444,364 2.475,365 3.2,367 7.455,368 2.391,369 3.617,370 2.509,371 5.371,372 3.206,373 2.256,374 2.954,376 6.831,377 2.145,378 3.446,379 2.269,380 5.124,381 3.023,382 2.083,383 2.77,385 6.133,386 1.949,387 3.275,388 2.209,389 5.018,390 2.821,391 1.881,392 2.554,394 5.742,395 1.756,396 3.139,397 1.971,398 4.726,399 2.724,400 1.736,401 2.326,403 4.877,404 1.716,405 3.013,406 1.906,407 4.534,408 2.673,409 1.706,410 2.165,412 4.65,413 1.613,414 2.816,415 1.374,416 4.156,417 2.286,418 1.344,419 1.96,421 3.411,422 1.261,423 2.671,424 1.273,425 3.576,426 2.201,427 1.204,428 1.746,430 2.623,431 1.199,432 2.301,433 0.958,434 3.493,435 1.853,436 0.893,437 1.225,439 2.222,440 0.852,441 1.861,442 0.645,443 3.25,444 1.476,445 0.575,446 0.719,448 1.468,449 0.507,450 1.584,451 0.619,452 3.001,453 1.43,454 0.431,455 0.482,457 0.627,458 0.43,459 1.311,460 0.503,461 2.693,462 1.017,463 0.07,464 0.082,466 0.196,467 0.066,468 14.667,469 0.489,470 0.725,471 0.024,472 42.5,473 1.417,474 23,475 0.767,476 19.5,477 0.65,478 24.519,479 0.817,480 30.333,481 0.595,482 30.107,483 1.004,484 7.882,485 0.263,486 6.736,487 0.225,488 0.084,490 0.375,496 0.87,497 1.046,498 0.735,499 0.802,500 0.724,501 0.787,502 0.408,503 0.896,504 0.744,505 0.874,506 0.445,507 0.863,508 0.98,509 1.033,510 1.007,511 0.989,512 0.895,513 0.954,514 0.765,515 1.265,516 1.062,517 1.259,518 0.742,519 1.13,520 1.457,521 1.127,522 1.126,523 1.061,524 1.414,525 1.045,526 1.445,527 1.082,528 1.039,529 0.976,530 1.374,531 1.008,532 1.667,533 0.892,534 0.899,535 0.793,536 1.866,537 0.925,538 1.287,539 0.681,540 0.897,541 0.791,542 1.637,543 0.871,544 6,545 0.144,546 2.667,547 2.694,548 1.973,549 0.973,550 0.549,551 0.364,552 0.246,553 0.222,554 13044,555 33310,556 2.165,557 41.2,558 7,559 7,561 1,562 4,563 2,567 1.724,568 2.045,569 3.577,570 1.598,572 1,577 81.403,578 1.596,579 3.811,580 4.654,581 5.226,582 5.344,583 5.383,584 3.057,585 4.457,586 4.878,587 3.753,588 1632.39,589 8.486,590 22759.4,592 1,595 289.294,596 1.347,597 4.848,598 0.176,599 0.006,600 0.054,601 0.053,602 0.041,603 0.024,604 0.016,605 0.013,606 0.009,607 0.009,608 0.401,609 0.17,610 0.88,611 0.659,612 154.987,613 -0.109,614 0.046,615 0.046,616 0.104,617 -0.094,618 0.084,619 0.35,620 0.146,621 0.141,622 0.092,623 0.181,624 0.066,625 -0.106,626 -0.021,627 -0.02,628 0.023,629 -0.076,630 0.008,631 0.077,632 -0.276,633 -0.024,634 -0.219,635 0.089,636 -0.147,637 -0.195,638 -0.129,639 -0.125,640 -0.095,641 -0.107,642 -0.093,643 -0.196,644 -0.078,645 -0.105,646 -0.07,647 -0.116,648 -0.065,649 -0.25,650 0.062,651 -0.034,652 0.069,653 -0.255,654 0.026,655 -0.003,656 0.235,657 0.042,658 0.157,659 -0.126,660 0.126,661 1.918,662 5.472,663 0.767,664 30.72,665 1,666 1.117,667 3.882,668 15.068,669 0.71,670 3.555,671 3.912,672 4.234,673 4.585,674 4.86,675 4.99,676 5.17,677 5.384,678 5.485,679 5.58,680 7.24,681 0.671,682 415.56,683 3.555,684 5.118,685 5.994,686 6.901,687 7.796,688 8.711,689 9.617,690 10.537,691 11.449,692 12.373,693 9.8,697 1,700 2,703 2,708 2,709 8,710 2,713 1,714 8,716 22,727 1,735 51,737 23,738 2,739 34,741 55,742 23,743 18,744 5,745 7,748 5,749 11,753 1,754 1,757 2,760 3,762 19,763 4,767 1,772 1,776 1,780 1,783 21,784 6,785 4,786 7,787 1,792 5,797 0.4,798 1,810 1,815 1,816 4,819 2,820 1,843 2,845 1,847 1,851 30,852 1,858 3,860 2,869 1,874 2,877 1,881 14.667,882 9.483,883 6.5,884 3.192,886 4.288,887 1.506,888 1.058,889 4.973,890 12.769,891 3.85,892 4.514,893 5.155,894 5.836,895 6.414,896 6.776,897 7.234,898 7.738,899 8.061,900 8.432,901 1,902 51,903 11.077,905 4.81,906 7.656,907 21.37,909 18.118,911 2.156,912 64.667,915 1,916 200.109,917 151.767,918 102.49,920 25.145,922 31.278,923 120.489,924 225.254,925 102.49,926 8.825,927 43.625,928 99.231,929 70.804,930 29.447,931 7.962,932 219.615,934 200.109,935 222.979,936 25.145,937 31.278,939 200.109,940 25.145,943 61.386,944 128.022,945 33.571,946 31.278,947 200.109,948 127.635,949 151.767,952 200.109,953 67.989,954 83.778,955 36.022,956 91.613,957 200.109,958 127.635,959 151.767,961 0.585,962 0.349,963 0.202,964 0.113,965 26,966 11,967 0.055,968 3,969 3,970 1.261,971 4.19,972 280.172,973 0.261,974 23,975 145.207,977 1,981 19.164,982 7.785,983 3.609,984 1.865,985 127.635,986 15.423,987 8.569,990 1.686,991 8.021,993 68.919,994 479.51,995 46,1000 12.472,1004 -0.252,1007 50.982,1008 56.943,1009 0.281,1010 0.672,1011 0.821,1012 0.921,1013 0.942,1014 0.949,1015 5.097,1016 1.736,1017 5.989,1018 5.742,1019 4.595,1020 5.201,1021 1.758,1022 6.841,1023 4.519,1024 6.327,1025 1.706,1026 7.565,1027 4.877,1028 4.205,1029 5.085,1030 1.195,1031 7.801,1032 4.102,1033 7.654,1034 1.344,1035 9.239,1036 4.65,1037 6.221,1038 7.478,1039 2.415,1040 10.958,1041 6.08,1042 9.017,1043 1.204,1044 10.974,1045 3.411,1046 6.648,1047 8.194,1048 2.324,1049 12.809,1050 6.481,1051 10.413,1052 0.893,1053 12.751,1054 2.623,1055 8.14,1056 10.071,1057 3.244,1058 15.508,1059 7.943,1060 11.834,1061 0.575,1062 14.558,1063 2.222,1064 8.967,1065 11.206,1066 3.407,1067 17.755,1068 8.74,1069 13.275,1070 0.431,1071 16.39,1072 1.468,1073 10.255,1074 12.872,1075 4.156,1076 20.314,1077 10.001,1078 3.368,1079 0.07,1080 18.242,1081 0.627,1082 11.279,1083 14.219,1084 4.464,1085 22.724,1086 10.992,1087 2.845,1088 12.368,1089 20.112,1090 0.196,1091 12.493,1092 15.801,1093 5.111,1094 25.244,1095 12.178,1096 2.726,1097 9.349,1098 21.996,1099 4.724,1100 13.609,1101 17.25,1102 5.504,1103 27.716,1104 13.26,1105 2.475,1106 7.922,1107 23.892,1108 3.912,1109 14.803,1110 18.802,1111 6.091,1112 30.228,1113 14.424,1114 2.256,1115 7.455,1116 25.799,1117 3.682,1118 15.964,1119 20.302,1120 6.531,1121 32.725,1122 15.551,1123 2.083,1124 6.831,1125 27.715,1126 3.2,1127 17.156,1128 21.845,1129 7.083,1130 35.236,1131 16.712,1132 1.881,1133 6.133,1134 29.637,1135 2.954,1136 18.338,1137 23.369,1138 7.551,1139 37.742,1140 17.861,1141 12050,1142 19445,1143 23.175,1144 36.222,1145 51.38,1146 52.385,1147 53.123,1148 51.168,1149 51.185,1150 69.001,1151 3.806,1152 151.746,1153 49.143,1154 5.66,1155 5.565,1156 6.7,1157 5.461,1158 5.368,1159 7.724,1160 2.912,1161 19.834,1162 5.261,1163 12.638,1164 1.511,1165 1.541,1166 1.562,1167 1.505,1168 1.505,1169 2.029,1170 0.112,1171 4.463,1172 1.445,1173 4.142,1174 4.157,1175 4.355,1176 4.135,1177 7.431,1178 4.1,1179 3.942,1180 3.976,1181 3.896,1182 3.871,1183 5.22,1184 3.867,1185 3.838,1186 3.873,1187 3.827,1188 3.77,1189 4.799,1190 3.757,1191 3.525,1192 3.584,1193 3.489,1194 3.34,1195 4.746,1196 3.347,1197 3.414,1198 3.485,1199 3.402,1200 3.263,1201 4.682,1202 3.25,1203 3.299,1204 3.353,1205 3.178,1206 3.079,1207 4.266,1208 3.101,1209 3.12,1210 3.18,1211 3.095,1212 3.002,1213 4.057,1214 2.977,1215 3,1216 3.103,1217 2.935,1218 2.813,1219 3.924,1220 2.794,1221 0.14,1222 0.105,1223 0.209,1224 0.127,1225 0.099,1226 4.774,1227 0.139,1228 3.565,1229 0.049,1230 7.107,1231 0.364,1232 4.333,1233 0.096,1234 3.368,1235 4.724,1236 1.656,1237 12.368,1238 3.261,1239 2.006,1240 1.986,1241 2.09,1242 2.081,1243 1.355,1244 2.084,1245 1.924,1246 1.895,1247 2.051,1248 2.018,1249 1.206,1250 2.029,1251 1.759,1252 1.729,1253 1.787,1254 1.915,1255 0.938,1256 1.896,1257 1.543,1258 1.512,1259 1.739,1260 1.718,1261 0.87,1262 1.721,1263 1.434,1264 1.362,1265 1.69,1266 1.618,1267 0.845,1268 1.658,1269 1.208,1270 1.159,1271 1.372,1272 1.474,1273 0.486,1274 1.46,1275 1.103,1276 1.068,1277 1.227,1278 1.284,1279 0.326,1280 1.29,1281 0.893,1282 0.839,1283 1.162,1284 1.173,1285 0.239,1286 1.187,1287 4.234,1289 5.58,1290 2.398,1291 7.127,1292 4.844,1293 8.772,1294 7.081,1295 10.47,1297 2.091,1301 6.162,1303 2.775,1305 5.854,1314 34.223,1315 81.403,1316 194.358,1317 237.378,1318 266.539,1319 272.539,1320 274.539,1321 41.792,1322 8.481,1323 92.93,1324 121.17,1325 29,1326 12.882,1327 4.585,1328 3.7,1329 41.864,1330 134,1331 134,1332 0.156,1333 211.325,1334 354.32,1335 507.392,1336 63643,1338 20.665,1339 0.689,1340 0.578,1341 21.018,1342 17.345,1343 14.619,1344 0.43,1345 0.316,1346 9.924,1347 13.806,1348 9.613,1349 7.958,1350 15.027,1351 10.758,1352 13.383,1353 0.273,1354 0.172,1355 14.025,1356 8.428,1357 11.523,1358 0.169,1359 0.097,1360 12.302,1361 6.595,1362 10.413,1363 0.107,1364 0.053,1365 11.374,1366 5.156,1367 8.702,1368 0.068,1369 0.03,1370 9.662,1371 3.834,1372 0.249,1373 94.384,1374 0.208,1375 28.47,1376 0.418,1377 166,1378 431.864,1379 203.247,1380 451.735,1381 634.26,1382 424,1383 200,1384 467.661,1385 233.205,1386 494.152,1387 729.5,1388 467,1389 5.1}
{0 CHEMBL1968590,1 1.709,2 10.462,3 2.873,4 8.252,5 110.681,6 9.06,7 0.69,8 3.856,9 3.957,10 3.678,11 3.558,12 5.034,13 3.49,14 4.324,15 4.462,16 4.091,17 3.956,18 5.485,19 3.866,20 4.464,21 4.606,22 4.078,23 4.04,24 5.615,25 3.933,26 4.528,27 4.675,28 4.052,29 4.043,30 5.659,31 3.924,32 4.508,33 4.692,34 3.886,35 3.958,36 5.56,37 3.819,38 4.481,39 4.681,40 3.969,41 3.859,42 5.625,43 3.752,44 4.368,45 4.557,46 3.936,47 3.813,48 5.501,49 3.672,50 4.3,51 4.51,52 3.647,53 3.637,54 5.434,55 3.496,56 0.041,57 0.623,58 6.727,59 3.638,60 8.322,61 4.049,62 0.171,63 1.014,64 15.042,65 6.636,66 18.534,67 7.455,68 0.165,69 1.143,70 19.569,71 8.144,72 24.825,73 8.469,74 0.192,75 1.212,76 20.967,77 8.628,78 29.802,79 9.178,80 0.123,81 1.174,82 22.374,83 9.123,84 20.591,85 10.329,86 0.285,87 1.175,88 21.152,89 7.94,90 35.01,91 9.062,92 0.164,93 1.057,94 21.302,95 8.059,96 23.813,97 8.591,98 0.246,99 0.986,100 19.585,101 7.062,102 34.58,103 7.968,104 21,105 42,106 0.293,107 0.69,108 0.85,109 0.877,110 0.877,111 0.877,112 3.305,113 1.003,114 -3.32,115 -3.3,116 -3.16,119 45.2,120 1,124 1,135 2,142 3,143 4,145 1,146 1,147 1,151 1,152 2,158 1,161 1,163 1,164 1,165 1,172 7,175 6,177 1,178 2,180 2,183 12,185 1,188 5,193 2,196 10,198 1,200 6,205 4,208 10,210 3,213 3,218 3,221 8,223 3,224 1,225 4,228 1,230 4,233 6,235 2,237 1,238 2,240 1,241 1,243 1,246 5,250 3,252 1,253 1,254 1,255 2,257 1,258 3,260 1,264 4,269 3,272 2,274 1,276 1008,277 17.61,278 17.61,279 17.61,280 17.61,281 17.61,282 15.056,283 9.945,284 10.12,285 18.184,286 14.241,287 14.241,288 14.241,289 14.241,290 14.241,291 10.196,292 7.162,293 4.735,294 15.121,295 3.684,296 1.367,297 0.435,298 0.274,299 0.274,300 0.274,301 4,305 1,306 1,307 591,308 3.24,311 104.697,312 123.291,315 190.082,319 1.805,320 20.057,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 55,332 272,333 4.732,334 3.449,335 6.974,336 4.259,337 3.293,338 4.714,339 1.058,340 11.832,341 3.183,342 4.469,343 3.303,344 6.285,345 3.92,346 2.991,347 4.417,349 9.582,350 2.793,351 3.973,352 3.021,353 6.019,354 3.56,355 2.588,356 3.485,358 8.569,359 2.503,360 3.728,361 2.59,362 5.505,363 3.337,364 2.339,365 3.075,367 6.86,368 2.316,369 3.545,370 2.29,371 4.987,372 3.125,373 2.165,374 2.863,376 5.851,377 2.071,378 3.361,379 2.105,380 4.824,381 2.859,382 1.951,383 2.708,385 5.347,386 1.751,387 3.156,388 1.774,389 4.691,390 2.646,391 1.723,392 2.422,394 4.853,395 1.569,396 3.007,397 1.52,398 4.436,399 2.451,400 1.516,401 2.249,403 4.311,404 1.403,405 2.6,406 1.14,407 4.171,408 2.055,409 1.099,410 1.618,412 3.18,413 1.038,414 2.509,415 1.094,416 3.671,417 1.859,418 0.958,419 1.403,421 2.354,422 0.849,423 2.208,424 1.002,425 3.179,426 1.582,427 0.7,428 0.983,430 1.526,431 0.605,432 1.886,433 0.774,434 3.151,435 1.289,436 0.395,437 0.585,439 1.049,440 0.346,441 1.481,442 0.4,443 2.713,444 1.212,445 0.252,446 0.289,448 0.382,449 0.238,450 1.311,451 0.142,452 2.648,453 0.828,454 -0.152,455 -0.214,457 -0.314,458 -0.147,459 0.918,460 -0.248,461 2.294,462 0.487,463 -0.469,464 -0.611,466 -1.257,467 -0.441,468 13.1,469 0.504,470 0.695,471 0.027,472 36,473 1.385,474 19.5,475 0.75,476 16.5,477 0.635,478 20.838,479 0.801,480 25.9,481 0.617,482 25.018,483 0.962,484 6.878,485 0.265,486 5.685,487 0.219,488 0.132,490 0.382,496 0.824,497 0.951,498 0.707,499 0.721,500 0.749,501 0.731,502 0.644,503 0.825,504 0.785,505 0.767,506 0.52,507 0.697,508 1.124,509 0.944,510 1.103,511 0.972,512 1.001,513 0.905,514 1.123,515 1.154,516 1.145,517 1.146,518 1.231,519 1.122,520 0.747,521 1.147,522 1.103,523 1.16,524 0.626,525 1.138,526 0.897,527 0.996,528 0.797,529 0.9,530 0.998,531 0.897,532 0.848,533 1.019,534 0.863,535 0.948,536 0.867,537 0.978,538 0.901,539 1.06,540 1.052,541 1.082,542 0.844,543 1.069,544 5.5,545 0.094,546 3.333,547 1.882,548 1.588,549 0.879,550 0.602,551 0.486,552 0.347,553 0.12,554 7741,555 23415,556 2.101,557 38.1,559 8,560 1,561 1,562 3,563 3,567 1.692,568 1.95,569 3.352,570 0.974,571 1,572 1,577 71.767,578 1.709,579 4.025,580 4.957,581 5.118,582 5.118,583 5.118,584 2.888,585 4.624,586 4.666,587 3.488,588 1133.68,589 8.098,590 13767.3,591 1,592 1,594 1,595 226.477,596 1.46,597 4.624,598 0.19,599 0.008,600 0.079,601 0.045,602 0.041,603 0.026,604 0.018,605 0.016,606 0.014,607 0.007,608 0.443,609 0.5,610 1,611 1.319,612 126.096,613 -0.112,614 0.071,615 0.044,616 0.118,617 -0.142,618 0.086,619 0.141,620 0.194,621 0.138,622 0.186,623 0.119,624 0.201,625 -0.202,626 0.065,627 -0.121,628 0.02,629 -0.086,630 0.008,631 -0.174,632 -0.178,633 -0.181,634 -0.166,635 -0.194,636 -0.198,637 -0.038,638 -0.194,639 -0.136,640 -0.177,641 0.016,642 -0.152,643 0.147,645 0.129,646 0.028,647 0.029,648 0.061,649 0.091,650 -0.021,651 0.144,652 0.045,653 0.041,654 -0.008,655 0.106,656 -0.063,657 -0.038,658 -0.093,659 0.112,660 -0.08,661 1.823,662 4.496,663 0.692,664 24.272,665 1.004,666 1.108,667 2.088,668 4.36,669 0.746,670 3.401,671 3.761,672 4.078,673 4.394,674 4.625,675 4.762,676 4.949,677 5.159,678 5.209,679 5.283,680 6.044,681 0.698,682 380.53,683 3.401,684 4.963,685 5.838,686 6.742,687 7.639,688 8.55,689 9.457,690 10.372,691 11.284,692 12.202,693 9.5,697 1,700 1,703 2,708 4,709 5,710 2,713 2,714 5,716 20,727 1,735 42,737 22,738 1,739 29,741 45,742 19,743 14,744 3,745 3,746 3,748 4,749 6,754 1,762 17,763 2,767 2,772 1,774 2,776 1,780 1,783 16,784 5,785 3,786 7,787 2,792 4,797 0.5,798 1,809 1,815 2,816 2,819 2,829 1,834 2,843 2,845 2,847 2,851 26,852 1,860 1,868 1,869 1,874 2.4,877 1,881 13.333,882 8.317,883 5.667,884 2.349,886 4.586,887 1.591,888 1.045,889 4.552,890 12.348,891 3.738,892 4.437,893 5.142,894 5.833,895 6.405,896 6.878,897 7.414,898 7.968,899 8.319,900 8.765,901 1,902 42,903 9.559,905 4.089,906 7.724,907 18.252,909 15.135,911 2.224,912 57.833,915 1,916 153.024,917 167.582,918 84.479,920 25.145,922 62.555,923 105.027,924 178.169,925 84.479,926 17.222,927 18.011,928 87.927,929 76.121,930 23.321,931 15.591,932 192.037,934 153.024,935 189.506,936 25.145,937 62.555,939 153.024,940 25.145,943 38.957,944 98.025,945 52.524,946 62.555,947 153.024,948 109.624,949 167.582,952 153.024,953 86.283,954 81.299,955 18.011,956 91.613,957 153.024,958 109.624,959 167.582,961 0.589,962 0.35,963 0.188,964 0.103,965 22,966 10,967 0.067,968 3,969 2,970 1.222,971 3.747,972 228.54,973 0.222,974 18,975 122.211,977 2,981 17.255,982 6.859,983 3.185,984 4.097,985 109.624,986 10.059,987 8.905,990 3.285,991 4.519,993 50.908,994 430.23,995 41,1000 11.496,1002 3.261,1004 -0.156,1007 42.189,1008 46.534,1009 0.317,1010 0.746,1011 0.919,1012 0.949,1013 0.949,1014 0.949,1015 4.977,1016 1.516,1017 5.844,1018 4.853,1019 4.443,1020 5.124,1021 1.176,1022 6.701,1023 4.334,1024 6.231,1025 1.099,1026 7.431,1027 4.311,1028 4.111,1029 5.085,1031 7.689,1032 3.988,1033 7.571,1034 0.958,1035 9.116,1036 3.18,1037 6.08,1038 7.482,1039 1.255,1040 10.823,1041 5.892,1042 8.952,1043 0.7,1044 10.86,1045 2.354,1046 6.567,1047 8.299,1049 12.669,1050 6.352,1051 10.364,1052 0.395,1053 12.642,1054 1.526,1055 8.019,1056 10.161,1057 1.338,1058 15.335,1059 7.758,1060 11.801,1061 0.252,1062 14.453,1063 1.049,1064 8.878,1065 11.374,1067 17.538,1068 8.58,1069 13.257,1070 -0.152,1071 16.285,1072 0.382,1073 10.139,1074 13.03,1075 1.422,1076 20.055,1077 9.804,1078 3.293,1079 -0.469,1080 18.134,1081 -0.314,1082 11.169,1083 14.423,1085 22.406,1086 10.794,1087 2.991,1088 11.832,1089 19.996,1090 -1.257,1091 12.363,1092 16,1093 1.51,1094 24.878,1095 11.954,1096 2.588,1097 9.582,1098 21.87,1099 4.714,1100 13.47,1101 17.472,1103 27.292,1104 13.022,1105 2.339,1106 8.569,1107 23.753,1108 4.417,1109 14.643,1110 19.019,1111 1.599,1112 29.753,1113 14.162,1114 2.165,1115 6.86,1116 25.644,1117 3.485,1118 15.785,1119 20.526,1121 32.194,1122 15.268,1123 1.951,1124 5.851,1125 27.541,1126 3.075,1127 16.955,1128 22.063,1129 1.69,1130 34.655,1131 16.405,1132 1.723,1133 5.347,1134 29.444,1135 2.863,1136 18.114,1137 23.585,1139 37.11,1140 17.531,1141 7448,1142 13065,1143 19.304,1144 31.341,1145 44.553,1146 45.087,1147 46.27,1148 43.832,1149 43.938,1150 61.622,1151 2.117,1152 131.392,1153 41.331,1154 5.402,1155 5.449,1156 6.535,1157 5.383,1158 5.293,1159 7.714,1160 2.117,1161 19.235,1162 5.183,1163 13.315,1164 1.536,1165 1.555,1166 1.596,1167 1.511,1168 1.515,1169 2.125,1170 0.073,1171 4.531,1172 1.425,1173 4.145,1174 4.155,1175 4.369,1176 4.154,1177 7.43,1178 4.112,1179 3.979,1180 3.992,1181 4.278,1182 3.988,1183 5.187,1184 3.932,1185 3.661,1186 3.701,1187 3.633,1188 3.532,1189 4.958,1190 3.527,1191 3.45,1192 3.5,1193 3.488,1194 3.348,1195 4.666,1196 3.324,1197 3.273,1198 3.347,1199 3.432,1200 3.155,1201 4.386,1202 3.123,1203 3.215,1204 3.287,1205 3.109,1206 3.016,1207 4.238,1208 3.005,1209 2.968,1210 3.048,1211 2.902,1212 2.83,1213 4.141,1214 2.783,1215 2.897,1216 2.976,1217 2.799,1218 2.755,1219 4.017,1220 2.74,1221 0.163,1222 0.119,1223 0.24,1224 0.147,1225 0.114,1226 4.732,1227 0.163,1228 3.449,1229 0.036,1230 6.974,1231 0.408,1232 4.259,1233 0.11,1234 3.293,1235 4.714,1236 1.058,1237 11.832,1238 3.183,1239 1.972,1240 1.958,1241 2.02,1242 2.037,1243 1.202,1244 2.036,1245 1.856,1246 1.842,1247 1.902,1248 1.931,1249 1.064,1250 1.938,1251 1.548,1252 1.514,1253 1.722,1254 1.781,1255 0.802,1256 1.764,1257 1.481,1258 1.446,1259 1.672,1260 1.623,1261 0.73,1262 1.67,1263 1.373,1264 1.354,1265 1.539,1266 1.503,1267 0.655,1268 1.531,1269 1.188,1270 1.107,1271 1.317,1272 1.329,1273 0.496,1274 1.381,1275 0.905,1276 0.864,1277 1.169,1278 1.209,1279 0.215,1280 1.21,1281 0.899,1282 0.833,1283 1.154,1284 1.106,1285 0.125,1286 1.133,1287 4.078,1289 5.425,1290 3.045,1291 6.961,1292 5.416,1293 8.59,1294 7.535,1295 10.273,1297 3.611,1301 6.185,1305 2.571,1314 29.335,1315 71.767,1316 169.051,1317 208.213,1318 214.968,1319 214.968,1320 214.968,1321 36.461,1322 7.762,1323 80.9,1324 137.38,1325 22,1326 12.713,1327 4.524,1328 3.7,1329 37.992,1330 92,1331 107,1332 0.204,1333 187.613,1334 307.63,1335 449.535,1336 24387,1338 18.259,1339 0.702,1340 0.61,1341 18.966,1342 15.871,1343 12.563,1344 0.433,1345 0.334,1346 8.065,1347 11.3,1348 7.638,1349 6.353,1350 13.425,1351 9.692,1352 11.558,1353 0.275,1354 0.189,1355 12.811,1356 7.93,1357 10.001,1358 0.172,1359 0.105,1360 11.425,1361 6.099,1362 8.457,1363 0.106,1364 0.06,1365 10.122,1366 4.763,1367 6.897,1368 0.068,1369 0.032,1370 8.322,1371 3.236,1372 0.315,1373 86.287,1374 0.228,1375 24.861,1376 0.574,1377 142,1378 396.392,1379 198.921,1380 435.291,1381 603.87,1382 408,1383 171,1384 421.314,1385 220.691,1386 462.009,1387 679.56,1388 435,1389 5.5}
{0 CHEMBL1968705,1 1.509,2 14.2,3 5.568,4 31.003,5 154.244,6 7.338,7 0.6,8 4.394,9 4.522,10 3.958,11 3.932,12 5.454,13 3.914,14 4.938,15 5.116,16 4.308,17 4.328,18 5.961,19 4.286,20 5.19,21 5.416,22 4.311,23 4.426,24 6.156,25 4.351,26 5.178,27 5.421,28 4.281,29 4.373,30 6.152,31 4.298,32 5.124,33 5.346,34 4.292,35 4.357,36 6.161,37 4.294,38 5.087,39 5.296,40 4.314,41 4.422,42 6.074,43 4.358,44 5.138,45 5.334,46 4.384,47 4.506,48 6.179,49 4.429,50 5.234,51 5.457,52 4.355,53 4.514,54 6.183,55 4.425,56 0.063,57 1.129,58 15.222,59 6.371,60 10.453,61 8.593,62 0.265,63 1.818,64 28.71,65 10.715,66 29.477,67 14.906,68 0.44,69 2.151,70 40.059,71 13.468,72 50.621,73 19.252,74 0.372,75 2.096,76 40.219,77 13.328,78 54.188,79 19.361,80 0.66,81 1.978,82 38.023,83 12.796,84 66.103,85 17.806,86 0.332,87 1.992,88 35.127,89 12.722,90 41.324,91 17.77,92 0.37,93 2.163,94 35.664,95 13.95,96 53.199,97 19.524,98 0.37,99 2.279,100 40.963,101 15.104,102 45.748,103 21.394,104 9,105 62,106 0.231,107 0.582,108 0.774,109 0.875,110 0.879,111 0.879,112 3.718,113 0.928,114 -5,115 -4.9,116 -4.59,119 42.5,120 1,121 4,125 4,142 10,143 3,144 3,145 1,146 1,147 1,149 1,152 1,158 1,168 1,172 11,174 1,175 11,178 2,180 8,183 9,187 1,188 12,193 8,196 6,200 9,203 1,205 4,208 6,212 2,213 11,216 4,217 1,218 3,221 14,225 5,230 1,233 17,237 3,238 8,241 1,242 1,243 4,246 21,249 2,250 7,253 1,255 3,258 15,263 1,264 7,267 2,269 5,272 6,276 3954,277 27.781,278 27.781,279 27.781,280 27.781,281 27.781,282 24.597,283 29.259,284 16.696,285 28.294,286 22.289,287 22.289,288 22.289,289 22.289,290 22.289,291 17.345,292 41.877,293 7.962,294 23.127,295 4.681,296 2.387,297 1.137,298 0.476,299 0.449,300 0.449,301 4.436,306 1,307 1255,308 3.937,311 215.155,312 441.387,315 158.523,316 181.928,319 2.27,320 30.452,323 0.75,324 0.33,325 0.67,326 0.7,327 0.5,328 0.83,329 1,330 0.68,331 85.5,332 568,333 4.588,334 3.59,335 6.592,336 4.115,337 3.152,338 4.523,339 1.907,340 10.573,341 3.038,342 4.421,343 3.213,344 6.194,345 3.917,346 2.936,347 4.363,348 0.86,349 9.261,350 2.879,351 4.186,352 2.959,353 6.117,354 3.787,355 2.806,356 3.815,357 0.8,358 9.003,359 2.753,360 3.824,361 2.903,362 5.46,363 3.488,364 2.554,365 3.25,366 0.4,367 7.29,368 2.44,369 3.734,370 2.82,371 5.444,372 3.461,373 2.495,374 3.116,375 0.149,376 7.188,377 2.358,378 3.605,379 2.692,380 5.357,381 3.353,382 2.403,383 2.932,385 7.002,386 2.276,387 3.528,388 2.435,389 5.242,390 3.181,391 2.226,392 2.741,394 6.616,395 2.121,396 3.414,397 2.298,398 5.022,399 3.025,400 2.033,401 2.667,403 5.792,404 1.998,405 3.357,406 1.961,407 4.828,408 2.862,409 1.906,410 2.534,412 5.491,413 1.817,414 3.034,415 1.631,416 4.372,417 2.517,418 1.534,419 2.301,421 4.209,422 1.507,423 2.882,424 1.534,425 4.354,426 2.42,427 1.456,428 2.041,430 4.045,431 1.398,432 2.625,433 1.475,434 3.809,435 2.366,436 1.394,437 1.683,439 3.008,440 1.35,441 2.589,442 1.353,443 3.612,444 2.136,445 1.153,446 1.633,448 2.766,449 1.132,450 2.466,451 1.203,452 3.481,453 2.071,454 1.102,455 1.463,457 2.502,458 1.065,459 2.395,460 1.172,461 3.445,462 2.011,463 1,464 1.359,466 2.372,467 1.007,468 18.967,469 0.474,470 0.79,471 0.02,472 53.5,473 1.338,474 27,475 0.675,476 26.5,477 0.663,478 35.918,479 0.898,480 42.233,481 0.579,482 44.108,483 1.103,484 10.173,485 0.254,486 9.468,487 0.237,488 0.044,490 0.311,496 0.821,497 1.282,498 0.795,499 1.065,500 0.626,501 0.944,502 0.944,503 1.193,504 0.899,505 1.047,506 0.617,507 0.979,508 1.224,509 1.091,510 1.007,511 0.972,512 1.061,513 0.963,514 1.092,515 1.058,516 0.891,517 0.938,518 1.017,519 0.891,520 1.272,521 0.829,522 0.949,523 0.829,524 1.396,525 0.853,526 1.158,527 0.971,528 0.927,529 0.879,530 0.912,531 0.873,532 0.701,533 1.079,534 0.976,535 1.103,536 0.712,537 1.08,538 0.885,539 1.025,540 0.988,541 1.056,542 0.73,543 1.036,544 7.5,545 0.265,546 3.333,547 2.042,548 1.933,549 1.056,550 0.882,551 0.599,552 0.584,553 0.36,554 27841,555 64000,556 2.182,557 45.2,558 5,559 18,561 1,562 3,563 2,564 4,567 1.806,568 2.105,569 3.762,570 0.731,577 110.161,578 1.509,579 3.803,580 5.053,581 5.714,582 5.741,583 5.741,584 3.295,585 5.072,586 5.283,587 3.976,588 3100.98,589 9.368,590 54303.4,595 451.857,596 1.141,597 5.28,598 0.167,599 0.005,600 0.054,601 0.034,602 0.033,603 0.018,604 0.014,605 0.009,606 0.009,607 0.006,608 0.349,609 0.17,610 0.75,611 0.881,612 225.694,613 0.003,614 -0.089,615 0.064,616 -0.024,617 -0.003,618 0.019,619 0.036,620 -0.081,621 0.025,622 -0.045,623 0.1,624 -0.019,625 -0.102,626 -0.07,627 -0.021,628 0.003,629 -0.039,630 0.001,631 -0.036,632 -0.058,633 0.107,634 0.031,635 0.039,636 0.081,637 0.069,638 0.182,639 0.059,640 0.141,641 -0.032,642 0.101,643 -0.142,644 0.069,645 0.028,646 0.127,647 -0.061,648 0.106,649 0.099,650 -0.007,651 -0.058,652 -0.083,653 0.071,654 -0.092,655 -0.01,656 -0.001,657 -0.034,658 -0.053,659 -0.039,660 -0.047,661 1.673,662 5.174,663 0.75,664 57.585,665 0.998,666 1.127,667 3.769,668 14.207,669 0.669,670 3.829,671 4.143,672 4.419,673 4.71,674 4.927,675 5.075,676 5.293,677 5.501,678 5.687,679 5.844,680 8.513,681 0.636,682 535.71,683 3.829,684 5.371,685 6.221,686 7.096,687 7.962,688 8.844,689 9.719,690 10.606,691 11.487,692 12.378,693 9.6,696 1,700 1,701 2,703 3,708 4,709 11,710 3,711 1,714 6,716 27,728 1,733 1,735 73,737 28,738 3,739 45,741 78,742 31,743 21,744 8,745 10,748 6,749 8,754 1,757 2,760 4,762 22,763 9,767 1,772 1,776 1,783 33,784 8,785 3,786 9,792 7,797 0.667,798 2,807 1,810 1,812 1,815 2,816 4,819 1,820 1,829 1,839 1,843 4,847 1,851 40,858 8,860 2,861 1,864 1,874 2.7,877 1,879 1,881 19,882 13.3,883 8.778,884 4.749,886 4.978,887 1.562,888 1.025,889 8.007,890 13.839,891 4.103,892 4.721,893 5.336,894 5.979,895 6.568,896 6.971,897 7.495,898 8.012,899 8.46,900 8.881,901 0.9,902 60,903 14.803,905 6.315,906 7.583,907 28.787,909 23.951,911 2.083,912 83.333,916 353.133,917 166.42,918 106.043,920 36.145,923 166.42,924 389.278,925 106.043,926 8.825,927 39.058,928 94.762,929 91.855,930 81.406,931 4.472,932 341.362,934 353.133,935 272.463,936 36.145,939 308.377,940 83.229,943 96.873,944 123.028,945 50.234,947 353.133,948 142.188,949 166.42,952 353.133,953 53.785,954 115.759,955 52.685,956 86.379,957 353.133,958 142.188,959 166.42,961 0.573,962 0.33,963 0.184,964 0.093,965 30,966 12,967 0.128,968 10,969 2,970 1.133,971 5.088,972 407.722,973 0.133,974 30,975 208.877,981 26.394,982 12.135,983 6.338,984 3.63,985 125.525,986 21.405,987 13.975,988 2.991,991 4.455,993 52.685,994 661.741,995 59.5,1000 12.174,1004 -0.006,1007 72.854,1008 82.305,1009 0.244,1010 0.614,1011 0.816,1012 0.923,1013 0.928,1014 0.928,1015 5.332,1016 2.033,1017 6.184,1018 6.616,1019 4.828,1020 5.409,1021 2.283,1022 6.967,1023 4.757,1024 6.528,1025 1.906,1026 7.716,1027 5.792,1028 4.29,1029 5.198,1030 1.668,1031 7.758,1032 4.189,1033 7.83,1034 1.534,1035 9.343,1036 5.491,1037 6.392,1038 7.65,1039 2.988,1040 10.863,1041 6.252,1042 9.168,1043 1.456,1044 11.028,1045 4.209,1046 6.698,1047 8.308,1048 3.047,1049 12.496,1050 6.53,1051 10.54,1052 1.394,1053 12.751,1054 4.045,1055 8.216,1056 10.208,1057 4.056,1058 15.091,1059 8.015,1060 11.935,1061 1.153,1062 14.5,1063 3.008,1064 8.925,1065 11.287,1066 4.412,1067 17.094,1068 8.696,1069 13.348,1070 1.102,1071 16.269,1072 2.766,1073 10.199,1074 12.956,1075 5.254,1076 19.51,1077 9.94,1078 3.152,1079 1,1080 18.052,1081 2.502,1082 11.11,1083 14.246,1084 5.75,1085 21.687,1086 10.822,1087 2.936,1088 10.573,1089 19.848,1090 2.372,1091 12.28,1092 15.812,1093 6.502,1094 24.04,1095 11.964,1096 2.806,1097 9.261,1098 21.654,1099 4.523,1100 13.292,1101 17.207,1102 7.068,1103 26.299,1104 12.946,1105 2.554,1106 9.003,1107 23.468,1108 4.363,1109 14.423,1110 18.729,1111 7.771,1112 28.634,1113 14.047,1114 2.495,1115 7.29,1116 25.29,1117 3.815,1118 15.487,1119 20.174,1120 8.374,1121 30.932,1122 15.079,1123 2.403,1124 7.188,1125 27.118,1126 3.25,1127 16.604,1128 21.677,1129 9.051,1130 33.265,1131 16.166,1132 2.226,1133 7.002,1134 28.951,1135 3.116,1136 17.695,1137 23.147,1138 9.674,1139 35.584,1140 17.224,1141 25688,1142 39214,1143 31.205,1144 48.847,1145 66.705,1146 67.778,1147 67.148,1148 66.578,1149 66.583,1150 87.955,1151 8.232,1152 187.624,1153 64.249,1154 5.547,1155 5.59,1156 6.363,1157 5.204,1158 5.152,1159 7.523,1160 3.306,1161 17.558,1162 5.038,1163 12.973,1164 1.482,1165 1.506,1166 1.492,1167 1.48,1168 1.48,1169 1.955,1170 0.183,1171 4.169,1172 1.428,1173 4.136,1174 4.174,1175 4.103,1176 4.032,1177 7.429,1178 4.044,1179 4.044,1180 4.08,1181 4.012,1182 3.946,1183 5.123,1184 3.956,1185 3.89,1186 3.926,1187 3.835,1188 3.817,1189 5.052,1190 3.817,1191 3.853,1192 3.919,1193 3.723,1194 3.683,1195 4.747,1196 3.682,1197 3.67,1198 3.724,1199 3.551,1200 3.517,1201 4.62,1202 3.512,1203 3.504,1204 3.558,1205 3.43,1206 3.305,1207 4.441,1208 3.329,1209 3.393,1210 3.462,1211 3.298,1212 3.194,1213 4.32,1214 3.206,1215 3.293,1216 3.361,1217 3.152,1218 3.117,1219 4.146,1220 3.121,1221 0.102,1222 0.08,1223 0.146,1224 0.091,1225 0.07,1226 4.588,1227 0.101,1228 3.59,1229 0.042,1230 6.592,1231 0.235,1232 4.115,1233 0.068,1234 3.152,1235 4.523,1236 1.907,1237 10.573,1238 3.038,1239 2.034,1240 2.009,1241 2.092,1242 2.144,1243 1.212,1244 2.129,1245 1.922,1246 1.898,1247 2.008,1248 2.01,1249 1.211,1250 2.011,1251 1.872,1252 1.848,1253 1.977,1254 1.975,1255 1.179,1256 1.976,1257 1.661,1258 1.603,1259 1.918,1260 1.852,1261 1.147,1262 1.869,1263 1.598,1264 1.527,1265 1.86,1266 1.828,1267 1.128,1268 1.84,1269 1.577,1270 1.507,1271 1.83,1272 1.751,1273 1.066,1274 1.793,1275 1.345,1276 1.296,1277 1.521,1278 1.647,1279 0.79,1280 1.598,1281 1.309,1282 1.229,1283 1.47,1284 1.556,1285 0.554,1286 1.539,1287 4.511,1289 5.826,1290 3.045,1291 7.326,1292 5.209,1293 8.917,1294 7.125,1295 10.562,1297 1.988,1303 7.672,1305 6.472,1306 6.138,1309 2.439,1314 46.428,1315 110.161,1316 277.609,1317 368.863,1318 417.102,1319 419.102,1320 419.102,1321 61.261,1322 8.86,1323 108.06,1324 108.06,1325 34,1326 12.908,1327 4.858,1328 3.954,1329 56.924,1330 191,1331 242,1332 0.135,1333 281.269,1334 476.46,1335 678.056,1336 98319,1338 27.313,1339 0.683,1340 0.565,1341 27.313,1342 22.613,1343 19.64,1344 0.436,1345 0.309,1346 13.744,1347 18.942,1348 13.475,1349 11.17,1350 19.64,1351 13.919,1352 17.464,1353 0.282,1354 0.164,1355 17.464,1356 10.148,1357 14.714,1358 0.179,1359 0.087,1360 14.714,1361 7.127,1362 12.787,1363 0.116,1364 0.046,1365 12.787,1366 5.064,1367 9.877,1368 0.072,1369 0.022,1370 9.877,1371 3.076,1372 0.212,1373 122.528,1374 0.179,1375 36.027,1376 0.369,1377 214,1378 573.05,1379 233.273,1380 559.46,1381 784.48,1382 528,1383 251,1384 597.444,1385 270.776,1386 603.66,1387 884.63,1388 571,1389 5.8}
{0 CHEMBL1968791,1 1.397,2 13.429,3 4.812,4 23.157,5 142.236,6 6.877,7 0.55,8 4.315,9 4.445,10 3.835,11 3.872,12 5.299,13 3.836,14 4.881,15 5.069,16 4.182,17 4.283,18 5.788,19 4.218,20 5.131,21 5.359,22 4.214,23 4.418,24 5.956,25 4.318,26 5.207,27 5.453,28 4.248,29 4.455,30 6.029,31 4.345,32 5.223,33 5.456,34 4.242,35 4.497,36 6.065,37 4.382,38 5.292,39 5.548,40 4.201,41 4.49,42 6.127,43 4.355,44 5.249,45 5.523,46 4.106,47 4.388,48 6.077,49 4.249,50 5.097,51 5.356,52 4.028,53 4.304,54 5.88,55 4.179,56 0.066,57 1.019,58 15.424,59 6.308,60 11.859,61 8.832,62 0.285,63 1.692,64 28.837,65 10.782,66 27.184,67 15.296,68 0.293,69 2.045,70 37.99,71 13.821,72 29.723,73 20.057,74 0.38,75 2.15,76 41.519,77 15.478,78 39.351,79 22.296,80 0.357,81 2.228,82 41.784,83 15.353,84 40.148,85 22.245,86 0.392,87 2.324,88 45.396,89 16.293,90 46.9,91 24.063,92 0.579,93 2.163,94 44.501,95 15.221,96 57.973,97 22.633,98 0.32,99 1.886,100 37.541,101 13.473,102 32.655,103 19.7,104 5,105 57,106 0.219,107 0.555,108 0.739,109 0.826,110 0.84,111 0.84,112 3.589,113 0.958,114 -6.13,115 -5.98,116 -5.56,119 42.6,120 1,121 4,122 1,125 4,127 1,142 9,143 4,144 1,147 1,148 1,152 1,161 1,163 1,164 1,165 1,172 15,174 2,175 13,177 1,178 1,180 1,183 15,185 1,188 10,193 1,196 10,198 1,199 1,200 11,202 2,203 2,205 1,208 14,210 1,212 1,213 9,218 3,221 17,223 3,224 1,225 6,230 3,233 16,235 3,237 3,238 8,240 1,241 1,243 2,246 15,248 2,250 4,258 12,263 1,264 9,266 1,267 1,269 1,272 13,274 1,276 2523,277 24.292,278 24.292,279 24.292,280 24.292,281 24.292,282 21.629,283 25.723,284 14.424,285 24.77,286 19.822,287 19.822,288 19.822,289 19.822,290 19.822,291 15.854,292 26.054,293 6.924,294 20.612,295 4.691,296 2.54,297 1.365,298 0.805,299 0.717,300 0.717,301 4.305,306 1,307 1058,308 3,310 70.571,311 174.317,312 315.549,315 144.402,319 2.286,320 19.832,323 0.75,324 0.5,325 1,326 0.8,327 0.5,328 1,329 1,330 0.79,331 73.5,332 470,333 4.854,334 3.53,335 7.268,336 4.421,337 3.458,338 4.825,339 1.151,340 12.95,341 3.338,342 4.118,343 3.034,344 6.391,345 3.882,346 2.904,347 3.717,348 0.8,349 9.775,350 2.84,351 3.984,352 2.97,353 6.014,354 3.652,355 2.69,356 3.443,358 8.44,359 2.588,360 3.894,361 2.79,362 5.667,363 3.502,364 2.537,365 3.364,367 7.734,368 2.483,369 3.693,370 2.662,371 5.442,372 3.464,373 2.509,374 3.009,376 7.156,377 2.361,378 3.587,379 2.476,380 5.298,381 3.261,382 2.306,383 2.737,385 6.75,386 2.194,387 3.363,388 2.284,389 5.251,390 3.121,391 2.171,392 2.421,394 6.559,395 2.054,396 3.106,397 1.87,398 4.897,399 2.657,400 1.709,401 2.33,403 5.056,404 1.616,405 2.921,406 1.675,407 4.643,408 2.522,409 1.56,410 2.086,412 4.487,413 1.498,414 2.882,415 1.59,416 4.26,417 2.463,418 1.473,419 2.045,421 3.472,422 1.456,423 2.704,424 1.422,425 3.683,426 2.305,427 1.361,428 1.785,430 3.143,431 1.283,432 2.58,433 1.259,434 3.63,435 2.189,436 1.211,437 1.598,439 2.688,440 1.181,441 2.5,442 1.188,443 3.491,444 2.065,445 1.094,446 1.5,448 2.51,449 1.059,450 2.226,451 1,452 3.377,453 2,454 1,455 1.196,457 2.136,458 1,459 1.942,460 0.956,461 3.247,462 1.688,463 0.729,464 0.875,466 1.999,467 0.697,468 16.833,469 0.481,470 0.76,471 0.022,472 44.25,473 1.264,474 21,475 0.6,476 23.25,477 0.664,478 34.203,479 0.977,480 37.167,481 0.547,482 32.719,483 0.935,484 8.197,485 0.234,486 8.973,487 0.256,488 0.053,490 0.345,496 0.946,497 1.32,498 0.854,499 1.087,500 0.969,501 0.979,502 1.148,503 1.054,504 0.962,505 0.989,506 0.709,507 0.963,508 1.177,509 1.102,510 1.015,511 1.035,512 0.802,513 1.011,514 0.971,515 0.966,516 0.888,517 0.951,518 0.792,519 0.922,520 1.135,521 1.061,522 1.073,523 1.054,524 0.968,525 1.056,526 0.97,527 1.105,528 1.033,529 1.073,530 1.228,531 1.058,532 1.038,533 0.89,534 0.97,535 0.89,536 1.137,537 0.916,538 1.153,539 0.95,540 0.97,541 0.927,542 1.032,543 0.93,544 5.5,545 0.214,546 2.667,547 3.396,548 2.255,549 1.264,550 0.74,551 0.603,552 0.367,553 0.369,554 19782,555 39366,556 2.209,557 48.5,559 18,561 1,562 2,563 3,564 9,567 1.77,568 2.121,569 3.654,570 0.105,577 94.991,578 1.397,579 3.547,580 4.723,581 5.282,582 5.37,583 5.37,584 3.161,585 4.786,586 5.09,587 3.864,588 2299.14,589 8.96,590 35607.4,595 413.947,596 1.208,597 5.084,598 0.138,599 0.005,600 0.048,601 0.062,602 0.04,603 0.023,604 0.014,605 0.013,606 0.008,607 0.009,608 0.359,609 0.17,610 0.63,611 0.383,612 188.952,613 0.002,614 -0.134,615 0.079,616 -0.025,617 0.001,618 0.026,619 0.034,620 0.064,621 0.014,622 0.015,623 0.157,624 0.011,625 -0.084,626 -0.061,627 -0.033,628 -0.044,629 0.05,630 -0.033,631 0.085,632 0.028,633 0.099,634 0.043,635 0.161,636 0.066,637 -0.088,638 -0.029,639 -0.093,640 -0.062,641 0.006,642 -0.075,643 0.007,644 -0.106,645 -0.048,646 -0.095,647 -0.055,648 -0.078,649 0.124,650 0.086,651 0.04,652 0.064,653 0.041,654 0.048,655 -0.081,656 0.033,657 0.023,658 0.053,659 -0.08,660 0.051,661 1.129,662 2.626,663 0.857,664 45.022,665 0.988,666 1.125,667 4.904,668 24.052,669 0.664,670 3.714,671 4.06,672 4.394,673 4.718,674 4.963,675 5.13,676 5.318,677 5.521,678 5.635,679 5.749,680 7.749,681 0.621,682 467.67,683 3.714,684 5.273,685 6.151,686 7.055,687 7.955,688 8.873,689 9.785,690 10.712,691 11.634,692 12.568,693 7.4,696 1,697 1,701 1,703 2,708 2,709 10,710 2,714 6,715 1,716 22,727 1,733 1,735 68,737 22,738 2,739 40,741 73,742 29,743 18,744 3,745 9,748 6,749 7,754 1,757 5,758 1,760 5,762 18,763 11,764 1,783 33,784 5,785 2,786 6,792 5,797 0.833,798 1,810 1,811 1,812 1,814 1,815 2,816 3,819 1,839 1,843 5,847 1,851 35,852 1,858 8,861 1,863 2,864 1,874 1.5,879 1,881 16.5,882 12.3,883 7.556,884 4.346,886 4.069,887 1.469,888 1.024,889 6.215,890 12.744,891 3.951,892 4.567,893 5.199,894 5.846,895 6.419,896 6.779,897 7.248,898 7.722,899 8.031,900 8.374,901 1,902 55,903 12.98,905 5.604,906 7.429,907 25.842,909 22.391,911 1.929,912 67.5,916 364.904,917 147.951,918 71.492,920 11,923 147.951,924 375.904,925 71.492,926 8.825,927 21.048,928 118.183,929 47.057,930 42.015,931 5.085,932 353.133,934 364.904,935 219.442,936 11,939 258.964,940 116.94,943 45.23,944 140.641,945 33.571,947 364.904,948 82.492,949 147.951,952 364.904,953 45.221,954 107.753,956 77.468,957 364.904,958 82.492,959 147.951,961 0.581,962 0.346,963 0.197,964 0.106,965 30,966 12,967 0.096,968 7,969 1,970 1.067,971 4.682,972 350.492,973 0.067,974 30,975 169.525,981 22.573,982 9.637,983 4.436,984 1.901,985 80.592,986 20.138,987 9.057,991 5.943,992 2.417,993 32.897,994 595.346,995 51,1007 67.207,1008 76.514,1009 0.229,1010 0.583,1011 0.776,1012 0.868,1013 0.882,1014 0.882,1015 5.207,1016 1.709,1017 6.133,1018 6.559,1019 4.745,1020 5.255,1021 1.528,1022 6.986,1023 4.67,1024 6.402,1025 1.56,1026 7.706,1027 5.056,1028 4.29,1029 5.037,1030 0.325,1031 7.958,1032 4.175,1033 7.715,1034 1.473,1035 9.384,1036 4.487,1037 6.375,1038 7.478,1039 1.603,1040 11.158,1041 6.231,1042 9.067,1043 1.361,1044 11.129,1045 3.472,1046 6.804,1047 8.18,1048 0.268,1049 13.061,1050 6.621,1051 10.458,1052 1.211,1053 12.92,1054 3.143,1055 8.317,1056 10.077,1057 1.778,1058 15.79,1059 8.109,1060 11.878,1061 1.094,1062 14.744,1063 2.688,1064 9.164,1065 11.235,1066 0.188,1067 18.089,1068 8.918,1069 13.324,1070 1,1071 16.595,1072 2.51,1073 10.465,1074 12.92,1075 1.991,1076 20.684,1077 10.192,1078 3.458,1079 0.729,1080 18.468,1081 2.136,1082 11.514,1083 14.303,1084 0.125,1085 23.143,1086 11.203,1087 2.904,1088 12.95,1089 20.357,1090 1.999,1091 12.745,1092 15.908,1093 2.225,1094 25.704,1095 12.404,1096 2.69,1097 9.775,1098 22.262,1099 4.825,1100 13.888,1101 17.396,1102 0.082,1103 28.224,1104 13.51,1105 2.537,1106 8.44,1107 24.178,1108 3.717,1109 15.103,1110 18.974,1111 2.473,1112 30.78,1113 14.693,1114 2.509,1115 7.734,1116 26.105,1117 3.443,1118 16.291,1119 20.509,1120 0.054,1121 33.323,1122 15.844,1123 2.306,1124 7.156,1125 28.041,1126 3.364,1127 17.508,1128 22.081,1129 2.73,1130 35.879,1131 17.027,1132 2.171,1133 6.75,1134 29.985,1135 3.009,1136 18.719,1137 23.636,1138 0.035,1139 38.432,1140 18.201,1141 17980,1142 25578,1143 27.739,1144 45.143,1145 60.234,1146 60.171,1147 60.956,1148 59.928,1149 59.854,1150 76.522,1151 3.902,1152 175.254,1153 57.568,1154 5.854,1155 5.53,1156 7.07,1157 5.496,1158 5.458,1159 7.825,1160 2.302,1161 20.532,1162 5.338,1163 10.703,1164 1.506,1165 1.504,1166 1.524,1167 1.498,1168 1.496,1169 1.913,1170 0.098,1171 4.381,1172 1.439,1173 4.186,1174 4.225,1175 4.158,1176 4.075,1177 5.232,1178 4.09,1179 3.923,1180 3.967,1181 3.854,1182 3.849,1183 4.885,1184 3.844,1185 3.908,1186 3.949,1187 3.804,1188 3.804,1189 4.785,1190 3.798,1191 3.816,1192 3.854,1193 3.743,1194 3.708,1195 4.709,1196 3.713,1197 3.73,1198 3.788,1199 3.605,1200 3.598,1201 4.439,1202 3.59,1203 3.408,1204 3.483,1205 3.313,1206 3.213,1207 4.346,1208 3.229,1209 3.223,1210 3.268,1211 3.096,1212 3.039,1213 4.251,1214 3.043,1215 3.071,1216 3.169,1217 2.933,1218 2.869,1219 4.087,1220 2.868,1221 0.121,1222 0.088,1223 0.182,1224 0.111,1225 0.086,1226 4.854,1227 0.121,1228 3.53,1229 0.029,1230 7.268,1231 0.324,1232 4.421,1233 0.083,1234 3.458,1235 4.825,1236 1.151,1237 12.95,1238 3.338,1239 1.952,1240 1.93,1241 2.12,1242 2.111,1243 1.552,1244 2.114,1245 1.948,1246 1.901,1247 2.047,1248 2.037,1249 1.211,1250 2.038,1251 1.894,1252 1.867,1253 2.005,1254 1.978,1255 1.171,1256 1.988,1257 1.729,1258 1.688,1259 1.86,1260 1.898,1261 1.124,1262 1.884,1263 1.577,1264 1.507,1265 1.806,1266 1.751,1267 1.038,1268 1.793,1269 1.54,1270 1.48,1271 1.747,1272 1.746,1273 0.864,1274 1.748,1275 1.408,1276 1.33,1277 1.671,1278 1.621,1279 0.842,1280 1.644,1281 1.185,1282 1.137,1283 1.449,1284 1.414,1285 0.606,1286 1.425,1287 4.394,1289 5.759,1290 3.045,1291 7.311,1292 5.416,1293 8.952,1294 7.564,1295 10.645,1297 2.196,1301 6.443,1303 9.411,1306 6.126,1308 1.234,1309 2.633,1314 42.197,1315 94.991,1316 241.205,1317 321.153,1318 359.193,1319 365.193,1320 365.193,1321 47.261,1322 8.675,1323 69.2,1324 69.2,1325 32,1326 13.07,1327 4.524,1328 3.585,1329 46.98,1330 155,1331 183,1332 0.142,1333 253.282,1334 429.89,1335 609.767,1336 81057,1338 23.777,1339 0.679,1340 0.582,1341 23.777,1342 20.36,1343 17.17,1344 0.429,1345 0.319,1346 12.645,1347 16.676,1348 12.341,1349 10.19,1350 17.17,1351 12.776,1352 15.521,1353 0.272,1354 0.177,1355 15.521,1356 10.089,1357 13.535,1358 0.169,1359 0.097,1360 13.535,1361 7.72,1362 11.852,1363 0.107,1364 0.052,1365 11.852,1366 5.779,1367 9.446,1368 0.067,1369 0.027,1370 9.446,1371 3.812,1372 0.223,1373 106.237,1374 0.19,1375 32.294,1376 0.39,1377 194,1378 441.628,1379 207.34,1380 436.198,1381 622.66,1382 414,1383 234,1384 480.215,1385 248.645,1386 490.143,1387 725.55,1388 463,1389 5.8}
{0 CHEMBL1968850,1 1.847,2 6.294,3 2.13,4 4.535,5 65.627,6 10.278,7 0.632,8 3.36,9 3.463,10 3.189,11 2.956,12 4.643,13 2.978,14 3.801,15 3.91,16 3.597,17 3.322,18 5.138,19 3.333,20 4.092,21 4.247,22 3.719,23 3.459,24 5.386,25 3.466,26 4.063,27 4.246,28 3.555,29 3.305,30 5.425,31 3.303,32 3.893,33 4.086,34 3.458,35 3.101,36 5.349,37 3.087,38 3.431,39 3.608,40 2.864,41 2.733,42 4.721,43 2.651,44 2.925,45 3.131,46 2.397,47 2.258,48 4.085,49 2.134,50 2.367,51 2.563,52 2.039,53 1.742,54 3.526,55 1.531,56 0.111,57 0.399,58 1.98,59 1.604,60 6.687,61 1.469,62 0.202,63 0.597,64 3.523,65 2.701,66 12.641,67 2.74,68 0.335,69 0.765,70 8.631,71 3.864,72 27.755,73 3.833,74 0.402,75 0.703,76 8.434,77 3.694,78 32.746,79 3.556,80 0.433,81 0.531,82 10.823,83 3.66,84 44.713,85 3.961,86 0.23,87 0.312,88 7.901,89 2.432,90 24.619,91 2.328,92 0.121,93 0.183,94 3.637,95 1.472,96 11.625,97 1.567,98 0.094,99 0.06,100 5.493,101 1.106,102 8.494,103 1.229,104 5,105 27,106 0.366,107 0.651,108 0.747,109 0.843,110 0.859,111 0.892,112 2.911,113 0.84,114 -2.87,115 -2.88,116 -2.78,119 45.8,142 5,143 1,144 2,147 2,158 1,166 1,172 4,175 4,178 2,180 4,183 3,188 4,191 1,192 1,193 6,196 2,199 1,200 2,203 2,205 2,208 2,212 1,213 6,216 1,218 2,221 4,225 4,233 2,238 1,246 2,258 2,276 199,277 11.516,278 11.516,279 11.516,280 11.516,281 11.516,282 9.897,283 16.564,284 6.759,285 11.821,286 9.393,287 9.393,288 9.393,289 9.393,290 9.393,291 6.947,292 26.849,293 3.233,294 9.926,295 2.738,296 1.301,297 0.817,298 0.333,299 0.25,300 0.083,301 3.59,303 1,305 1,306 1,307 234,308 1.732,312 57.486,313 29.082,317 99.481,319 0.934,320 17.937,323 1,324 0.83,325 1,326 0.4,328 1,329 1,330 0.75,331 37.333,332 107,333 4.442,334 3.627,335 6.526,336 4.077,337 3.106,338 4.069,339 1.058,340 10.276,341 3.015,342 4.106,343 2.953,344 6.075,345 3.678,346 2.707,347 3.733,348 0.4,349 8.798,350 2.634,351 3.579,352 2.914,353 5.183,354 3.141,355 2.205,356 2.906,358 6.235,359 2.06,360 3.373,361 2.494,362 4.961,363 2.938,364 2.062,365 2.596,367 5.824,368 1.711,369 2.901,370 1.649,371 4.227,372 2.436,373 1.446,374 2.078,376 3.723,377 1.428,378 2.795,379 1.486,380 3.842,381 2.339,382 1.364,383 1.912,385 3.106,386 1.32,387 2.529,388 1.29,389 3.594,390 2.003,391 1,392 1.478,394 2.564,395 0.997,396 1.607,397 0.723,398 2.991,399 1.225,400 0.288,401 0.358,403 0.71,404 0.252,405 1.286,406 0.482,407 2.785,408 0.942,414 0.827,415 -0.032,416 2.353,417 0.382,418 -0.534,419 -0.66,421 -1.345,422 -0.397,423 0.688,424 -0.265,425 2,426 0.181,427 -0.789,428 -1.127,430 -2.142,431 -0.758,432 0.47,433 -0.839,434 2,435 0.01,436 -1,437 -1.313,439 -2.458,440 -0.853,441 0.349,442 -0.853,443 1.719,444 -0.111,445 -1,446 -1.467,448 -2.691,449 -1.013,450 -0.049,451 -1.219,452 1.457,453 -0.503,454 -1.367,455 -1.85,457 -3.622,458 -1.222,459 -0.31,460 -1.399,461 1.167,462 -0.721,463 -1.638,464 -2.16,466 -4.671,467 -1.613,468 8.148,469 0.479,470 0.435,471 0.026,472 26,473 1.529,474 14.5,475 0.853,476 11.5,477 0.676,478 9.288,479 0.546,480 17.052,481 0.711,482 16.139,483 0.949,484 5.215,485 0.307,486 3.022,487 0.178,488 0.129,490 0.368,496 0.712,497 1.053,498 0.5,499 0.705,500 0.567,501 0.655,502 0.53,503 1.282,504 0.571,505 1.041,506 0.528,507 0.957,508 0.918,509 1.183,510 0.79,511 1.043,512 0.886,513 0.988,514 1.1,515 0.99,516 0.767,517 0.872,518 1.163,519 0.969,520 0.834,521 0.772,522 0.74,523 0.932,524 1.136,525 0.9,526 1.565,527 0.879,528 1.693,529 1.138,530 1.591,531 1.231,532 1.175,533 0.822,534 1.277,535 0.913,536 1.077,537 1.174,538 1.879,539 0.551,540 3.657,541 1.519,542 1.071,543 1.412,544 3.5,546 2,547 1.063,548 1.461,549 0.313,550 0.246,551 0.077,552 0.031,554 2161,555 7973,556 2.127,557 29.2,559 5,562 2,567 1.576,568 2,569 2.692,570 0.526,574 1,577 44.334,578 1.847,579 3.284,580 3.768,581 4.252,582 4.335,583 4.502,584 1.971,585 3.499,586 4.065,587 2.721,588 370.017,589 6.903,590 3209.82,592 1,594 1,595 110.039,596 1.379,597 4.023,598 0.184,600 0.074,601 0.035,602 0.061,603 0.016,604 0.025,605 0.015,606 0.016,608 0.427,609 0.67,610 1,611 0.604,612 67.771,613 -0.079,614 0.054,615 -0.009,616 0.073,617 -0.079,618 0.064,619 0.168,620 -0.234,621 0.025,622 -0.225,623 0.073,624 -0.181,625 -0.055,626 -0.173,627 -0.038,628 -0.164,629 -0.061,630 -0.107,631 -0.076,632 0.006,633 -0.01,634 0.035,635 -0.038,636 -0.031,637 0.303,638 0.117,639 0.27,640 0.096,641 0.218,642 0.184,643 -0.421,644 -0.031,645 -0.341,646 -0.045,647 -0.359,648 -0.15,649 -0.224,650 0.017,651 0.019,652 0.205,653 -0.185,654 0.006,655 -0.453,656 0.039,657 -0.539,658 0.02,659 -0.17,660 0.043,661 1.922,662 4.943,663 0.882,664 8.512,665 1.034,666 1.124,667 1.641,668 2.693,669 0.744,670 2.996,671 3.332,672 3.611,673 3.892,674 4.174,675 4.234,676 4.331,677 4.382,678 4.407,679 4.419,680 3.824,681 0.737,682 246.67,683 2.996,684 4.533,685 5.389,686 6.275,687 7.151,688 8.039,689 8.921,690 9.81,691 10.695,692 11.583,693 16.7,700 1,701 1,703 2,709 5,710 2,714 5,716 12,723 1,728 1,734 1,735 24,737 13,738 1,739 19,741 26,742 11,743 10,744 2,745 4,746 1,748 3,749 6,750 1,762 11,767 1,772 1,776 1,780 1,783 7,784 5,785 2,786 6,787 1,792 4,797 0.333,798 1,808 1,816 2,817 1,821 2,843 1,848 1,851 17,860 2,873 1,874 4.2,877 1,881 8.5,882 4.376,883 3.667,884 1.322,886 2.582,887 1.39,888 1.035,889 2.372,890 9.21,891 3.296,892 3.912,893 4.477,894 5.042,895 5.605,896 5.753,897 6.121,898 6.462,899 6.797,900 7.119,901 0.6,902 30,903 6.219,905 2.708,906 7.977,907 11.474,909 9.353,911 2.477,912 42.111,913 0.001,916 58.856,917 66.185,918 69.348,919 39.149,920 25.145,923 66.185,924 123.149,925 69.348,927 18.011,928 47.381,929 63.176,930 26.71,931 44.548,932 58.856,934 58.856,935 135.532,936 25.145,937 39.149,939 58.856,940 25.145,943 36.022,944 66.185,945 33.326,946 39.149,947 58.856,948 94.492,949 105.333,952 58.856,953 18.803,954 47.381,955 36.022,956 97.62,957 58.856,958 94.492,959 105.333,961 0.587,962 0.344,963 0.192,964 0.114,965 15,966 6,969 2,970 1.267,971 2.882,972 126.608,973 0.267,974 15,975 69.487,981 10.355,982 3.893,983 1.805,985 94.492,986 8.849,987 7.589,991 2.438,993 36.022,994 258.681,995 26,1000 11.943,1004 -0.255,1007 24.825,1008 26.977,1009 0.403,1010 0.716,1011 0.822,1012 0.927,1013 0.945,1014 0.982,1015 4.522,1016 0.288,1017 5.38,1018 2.564,1019 4.007,1020 4.595,1021 1.27,1022 6.196,1023 3.911,1024 5.738,1026 6.94,1027 0.71,1028 3.611,1029 4.388,1031 7.081,1032 3.444,1033 7.049,1034 -0.534,1035 8.6,1037 5.602,1038 6.782,1039 1.27,1040 10.19,1041 5.434,1042 8.393,1043 -0.789,1044 10.316,1045 -1.345,1046 5.994,1047 7.345,1049 11.888,1050 5.787,1051 9.764,1052 -1,1053 12.069,1054 -2.142,1055 7.473,1056 9.229,1057 1.34,1058 14.5,1059 7.254,1060 11.157,1061 -1,1062 13.847,1063 -2.458,1064 8.241,1065 10.168,1067 16.542,1068 7.998,1069 12.565,1070 -1.367,1071 15.644,1072 -2.691,1073 9.505,1074 11.819,1075 1.423,1076 18.971,1077 9.242,1078 3.106,1079 -1.638,1080 17.453,1081 -3.622,1082 10.458,1083 12.957,1085 21.165,1086 10.171,1087 2.707,1088 10.276,1089 19.274,1090 -4.671,1091 11.631,1092 14.487,1093 1.51,1094 23.522,1095 11.321,1096 2.205,1097 8.798,1098 21.102,1099 4.069,1100 12.672,1101 15.734,1103 25.784,1104 12.337,1105 2.062,1106 6.235,1107 22.936,1108 3.733,1109 13.81,1110 17.2,1111 1.599,1112 28.115,1113 13.449,1114 1.446,1115 5.824,1116 24.776,1117 2.906,1118 14.894,1119 18.508,1121 30.408,1122 14.505,1123 1.364,1124 3.723,1125 26.62,1126 2.596,1127 16.019,1128 19.939,1129 1.69,1130 32.731,1131 15.603,1132 1,1133 3.106,1134 28.468,1135 2.078,1136 17.124,1137 21.283,1139 35.038,1140 16.679,1141 2118,1142 4181,1143 12.83,1144 17.858,1145 28.767,1146 29.969,1147 29.325,1148 28.518,1149 28.357,1150 38.26,1151 2.917,1152 82.472,1153 26.834,1154 5.267,1155 5.627,1156 6.21,1157 5.119,1158 5.106,1159 7.069,1160 2.117,1161 17.04,1162 5.015,1163 6.532,1164 1.514,1165 1.577,1166 1.543,1167 1.501,1168 1.492,1169 2.014,1170 0.154,1171 4.341,1172 1.412,1173 4.003,1174 4.04,1175 4.031,1176 3.888,1177 7.429,1178 3.9,1179 3.765,1180 3.798,1181 3.823,1182 3.669,1183 5.131,1184 3.676,1185 3.274,1186 3.317,1187 3.431,1188 3.023,1189 4.766,1190 3.057,1191 3.066,1192 3.137,1193 3.129,1194 2.861,1195 4.444,1196 2.88,1197 2.799,1198 2.852,1199 2.8,1200 2.64,1201 3.99,1202 2.649,1203 2.668,1204 2.709,1205 2.672,1206 2.533,1207 3.851,1208 2.537,1209 2.444,1210 2.55,1211 2.357,1212 2.098,1213 3.654,1214 2.149,1215 1.997,1216 2.07,1217 2.243,1218 1.613,1219 3.389,1220 1.622,1221 0.234,1222 0.191,1223 0.343,1224 0.215,1225 0.163,1226 4.442,1227 0.214,1228 3.627,1229 0.056,1230 6.526,1231 0.541,1232 4.077,1233 0.159,1234 3.106,1235 4.069,1236 1.058,1237 10.276,1238 3.015,1239 1.888,1240 1.857,1241 1.993,1242 1.997,1243 1.08,1244 1.996,1245 1.778,1246 1.751,1247 1.81,1248 1.941,1249 0.889,1250 1.91,1251 1.127,1252 1.081,1253 1.274,1254 1.426,1255 0.278,1256 1.381,1257 1.005,1258 0.949,1259 1.193,1260 1.233,1261 0.238,1262 1.228,1263 0.799,1264 0.754,1265 0.993,1266 0.987,1267 0.013,1268 1.007,1269 0.526,1270 0.463,1271 0.71,1272 0.82,1274 0.798,1275 0.218,1276 0.153,1277 0.503,1278 0.538,1280 0.536,1281 0.009,1283 0.425,1284 0.441,1286 0.455,1287 3.664,1289 4.99,1291 6.515,1292 2.708,1293 8.128,1294 5.38,1295 9.785,1298 5.725,1305 5.823,1314 17.682,1315 44.334,1316 78.82,1317 90.429,1318 102.039,1319 104.039,1320 108.039,1321 21.608,1322 6.628,1323 74.43,1324 74.43,1325 19,1326 12.114,1327 3.807,1328 3,1329 23.525,1330 43,1331 33,1332 0.313,1333 113.121,1334 189.5,1335 267.774,1336 5765,1337 4.2,1338 11.828,1339 0.696,1340 0.548,1341 12.328,1342 9.323,1343 8.237,1344 0.434,1345 0.28,1346 4.899,1347 7.627,1348 4.801,1349 3.961,1350 8.526,1351 5.323,1352 7.595,1353 0.281,1354 0.146,1355 8.004,1356 3.941,1357 6.388,1358 0.177,1359 0.073,1360 6.65,1361 2.622,1362 5.423,1363 0.113,1364 0.037,1365 5.643,1366 1.799,1367 4.792,1368 0.075,1369 0.02,1370 5.112,1371 1.261,1372 0.456,1373 54.901,1374 0.279,1375 16.482,1376 0.969,1377 92,1378 309.895,1379 117.988,1380 332.395,1381 444.69,1382 308,1383 109,1384 311.468,1385 129.375,1386 323.22,1387 472.31,1388 304,1389 5.1}
{0 CHEMBL1968926,1 1.589,2 9.316,3 3.011,4 9.065,5 78.841,6 8.657,7 0.81,8 3.553,9 3.666,10 3.322,11 3.213,12 4.715,13 3.161,14 3.995,15 4.138,16 3.637,17 3.543,18 5.115,19 3.465,20 4.106,21 4.297,22 3.56,23 3.561,24 5.083,25 3.431,26 4.101,27 4.331,28 3.395,29 3.423,30 5.059,31 3.272,32 3.951,33 4.188,34 3.34,35 3.269,36 4.969,37 3.14,38 3.719,39 3.932,40 3.172,41 3.098,42 4.781,43 2.988,44 3.521,45 3.694,46 2.931,47 2.965,48 4.556,49 2.871,50 3.561,51 3.795,52 2.635,53 2.912,54 4.445,55 2.798,56 0.036,57 0.49,58 5.208,59 2.603,60 5.565,61 3.08,62 0.117,63 0.782,64 11.789,65 4.45,66 11.15,67 5.106,68 0.063,69 0.807,70 12.615,71 5.34,72 11.869,73 6.608,74 0.125,75 0.821,76 16.77,77 5.747,78 17.214,79 6.453,80 0.17,81 0.729,82 14.309,83 4.703,84 17.314,85 5.26,86 0.126,87 0.59,88 12.013,89 3.765,90 13.6,91 3.896,92 0.078,93 0.472,94 8.131,95 2.692,96 8.271,97 2.943,98 0.059,99 0.425,100 7.007,101 2.913,102 8.05,103 3.968,105 27,106 0.296,107 0.597,108 0.715,109 0.797,110 0.814,111 0.814,112 3.009,113 0.985,114 -4.52,115 -4.45,116 -4.19,119 45.2,125 1,142 7,143 2,145 2,150 1,161 1,168 1,172 8,174 1,175 5,178 1,180 1,183 8,188 4,193 3,196 5,200 4,208 3,212 1,213 4,216 1,218 1,221 3,224 1,225 4,230 2,233 1,238 3,243 2,246 4,255 1,258 6,264 1,272 5,276 425,277 13.345,278 13.345,279 13.345,280 13.345,281 13.345,282 11.312,283 5.279,284 8.311,285 13.744,286 10.421,287 10.421,288 10.421,289 10.421,290 10.421,291 7.506,292 4.511,293 4.015,294 11.068,295 3.365,296 1.748,297 1.11,298 0.67,299 0.581,300 0.581,301 3.696,304 1,305 1,306 1,307 386,308 2,311 51.699,312 128.074,319 1.562,320 8.813,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 40,332 177,333 4.293,334 4.438,335 6.181,336 3.866,337 2.92,338 3.954,339 3.272,340 9.223,341 2.778,342 3.907,343 3.062,344 5.403,345 3.514,346 2.544,347 3.449,349 7.122,350 2.48,351 3.734,352 2.76,353 5.237,354 3.237,355 2.322,356 3.251,358 6.647,359 2.095,360 3.137,361 2.226,362 4.335,363 2.638,364 1.728,365 2.377,367 4.211,368 1.559,369 2.914,370 1.837,371 3.636,372 2.468,373 1.487,374 2.083,376 3.139,377 1.453,378 2.571,379 1.417,380 3.486,381 2.041,382 1.124,383 1.601,385 2.642,386 1.019,387 2.5,388 1.224,389 3.267,390 2,391 1,392 1.5,394 2.136,395 1,396 2.5,397 1,398 3.247,399 1.984,400 1,401 1.5,403 2.136,404 0.983,405 2.174,406 1,407 3.247,408 1.631,409 0.689,410 1.016,412 1.686,413 0.646,414 1.753,415 0.692,416 3.029,417 1.367,418 0.511,419 0.62,421 1.219,422 0.427,423 0.813,424 0.237,425 2.333,426 0.424,427 -0.514,428 -0.638,430 -1.222,431 -0.474,432 0.717,433 -0.286,434 2.103,435 0.262,436 -0.701,437 -0.95,439 -1.575,440 -0.673,441 0.5,442 -0.702,443 1.555,445 -1,446 -1.448,448 -2.347,449 -0.946,450 0.5,451 -1,452 1.555,453 -0.049,454 -1,455 -1.5,457 -2.347,458 -0.97,459 0.209,460 -1,461 1.362,462 -0.229,463 -1.129,464 -1.5,466 -2.902,467 -1,468 9.433,469 0.496,470 0.256,471 0.013,472 28.5,473 1.5,474 16.5,475 0.868,476 12,477 0.632,478 10.879,479 0.573,480 18.767,481 0.605,482 15.9,483 0.837,484 5.593,485 0.294,486 3.822,487 0.201,490 0.212,496 0.764,497 1.012,498 0.696,499 0.804,500 0.756,501 0.795,502 0.808,503 1.151,504 1.102,505 1.201,506 0.921,507 1.026,508 0.784,509 1.146,510 0.897,511 1.064,512 0.903,513 1.099,514 1.32,515 1.123,516 1.302,517 1.15,518 1.189,519 1.04,520 1.319,521 0.9,522 1.177,523 0.937,524 0.992,525 0.845,526 1.556,527 1.029,528 1.455,529 1.112,530 1.25,531 0.867,532 1.475,533 1.206,534 1.422,535 1.307,536 1.312,537 1.181,538 0.832,539 0.763,540 0.67,541 0.749,542 0.853,543 0.982,544 2.5,545 0.016,546 1.333,547 0.472,548 0.557,549 0.32,550 0.092,551 0.149,552 0.07,553 0.009,554 3828,555 10475,556 2.178,557 38.7,559 9,561 2,562 1,567 1.595,568 2.151,569 3.231,570 -0.249,572 1,574 1,577 49.258,578 1.589,579 3.206,580 3.844,581 4.285,582 4.374,583 4.374,584 2.695,585 3.722,586 4.22,587 3.349,588 572.642,589 7.15,590 5798.9,591 1,592 1,593 1,594 1,595 153.58,596 0.742,597 4.225,598 0.119,599 0.002,600 0.049,601 0.021,602 0.029,603 0.018,604 0.006,605 0.011,606 0.006,607 0.001,608 0.263,609 0.33,610 1,612 84.131,613 0.1,614 0.027,615 0.065,616 0.052,617 0.028,618 0.028,619 0.166,620 -0.099,621 -0.092,622 -0.204,623 -0.013,624 -0.148,625 0.017,626 -0.208,627 0.047,628 -0.09,629 -0.073,630 -0.133,631 -0.191,632 -0.113,633 -0.098,634 -0.053,635 -0.126,636 -0.043,637 0.005,638 0.163,639 0.032,640 0.139,641 0.175,642 0.126,643 -0.178,644 0.088,645 -0.143,646 0.026,647 0.016,648 0.076,649 -0.345,650 -0.14,651 -0.381,652 -0.314,653 -0.344,654 -0.297,655 -0.098,656 0.091,657 -0.02,658 0.043,659 -0.062,660 0.007,661 0.907,662 1.464,663 0.895,664 14.77,665 1.001,666 1.115,667 3.293,668 10.841,669 0.733,670 3.091,671 3.332,672 3.555,673 3.761,674 3.892,675 3.807,676 3.871,677 3.932,678 3.97,679 3.932,680 5.538,681 0.69,682 268.37,683 3.091,684 4.575,685 5.389,686 6.221,687 7.05,688 7.888,689 8.724,690 9.565,691 10.405,692 11.248,693 12.9,701 1,703 3,709 9,710 3,711 1,714 4,716 17,735 31,737 17,738 1,739 21,741 33,742 14,743 13,744 1,745 5,748 3,749 3,762 13,763 1,779 1,780 1,783 12,784 3,785 1,786 5,787 1,792 4,797 1,809 1,815 1,816 2,843 3,844 1,845 1,851 19,858 1,862 1,871 1,881 8.833,882 5.517,883 4.278,884 1.708,886 2.973,887 1.462,888 1.014,889 3.682,890 9.411,891 3.418,892 3.975,893 4.526,894 5.065,895 5.469,896 5.506,897 5.849,898 6.173,899 6.483,900 6.683,901 1,902 23,903 6.95,905 2.848,906 7.579,907 13.382,909 10.612,911 2.079,912 39.5,913 0.001,916 129.482,917 126.94,918 66.897,922 32.22,923 94.72,924 129.482,925 66.897,927 0.9,928 66.334,929 76.104,930 41.129,931 0.693,932 138.159,934 129.482,935 161.617,937 32.22,939 129.482,943 38.679,944 72.705,945 50.234,946 32.22,947 129.482,948 66.897,949 126.94,952 129.482,953 42.511,954 84.429,955 16.663,956 50.234,957 129.482,958 66.897,959 126.94,961 0.558,962 0.317,963 0.172,964 0.09,965 13,966 4,967 0.121,968 4,970 1,971 3.387,972 131.806,974 17,975 72.711,977 1,981 12.092,982 5.786,983 3.08,985 50.234,986 17.601,987 12.665,988 2.949,991 3.797,993 16.663,994 323.319,995 29.5,1007 31.018,1008 34.574,1009 0.321,1010 0.647,1011 0.776,1012 0.865,1013 0.883,1014 0.883,1015 4.577,1016 1,1017 5.303,1018 2.136,1019 4.007,1020 4.659,1021 3.11,1022 5.999,1023 3.895,1024 5.741,1025 0.689,1026 6.777,1027 2.136,1028 3.219,1029 4.007,1031 6.629,1032 3.057,1033 6.996,1034 0.511,1035 8.35,1036 1.686,1037 5.476,1038 6.772,1039 5.44,1040 9.712,1041 5.265,1042 8.289,1043 -0.514,1044 9.987,1045 1.219,1046 5.602,1047 7.034,1049 11.258,1050 5.337,1051 9.616,1052 -0.701,1053 11.667,1054 -1.222,1055 7.217,1056 9.134,1057 7.807,1058 13.776,1059 6.917,1060 10.967,1061 -1,1062 13.377,1063 -1.575,1064 7.787,1065 9.852,1067 15.692,1068 7.433,1069 12.335,1070 -1,1071 15.109,1072 -2.347,1073 9.107,1074 11.625,1075 10.177,1076 18.016,1077 8.719,1078 2.92,1079 -1.129,1080 16.857,1081 -2.347,1082 9.907,1083 12.6,1085 20.095,1086 9.466,1087 2.544,1088 9.223,1089 18.616,1090 -2.902,1091 11.085,1092 14.195,1093 12.548,1094 22.35,1095 10.609,1096 2.322,1097 7.122,1098 20.385,1099 3.954,1100 12.008,1101 15.323,1103 24.503,1104 11.478,1105 1.728,1106 6.647,1107 22.161,1108 3.449,1109 13.12,1110 16.818,1111 14.919,1112 26.734,1113 12.55,1114 1.487,1115 4.211,1116 23.944,1117 3.251,1118 14.108,1119 18.04,1121 28.922,1122 13.484,1123 1.124,1124 3.139,1125 25.731,1126 2.377,1127 15.189,1128 19.478,1129 17.29,1130 31.145,1131 14.523,1132 1,1133 2.642,1134 27.523,1135 2.083,1136 16.213,1137 20.756,1139 33.349,1140 15.493,1141 3635,1142 6134,1143 14.792,1144 22.716,1145 30.867,1146 33.043,1147 30.708,1148 30.635,1149 30.65,1150 42.701,1151 6.545,1152 80.32,1153 28.878,1154 5.121,1155 6.438,1156 5.983,1157 5.006,1158 4.92,1159 6.954,1160 6.545,1161 15.49,1162 4.778,1164 1.47,1165 1.573,1166 1.462,1167 1.459,1168 1.46,1169 2.033,1170 0.312,1171 3.825,1172 1.375,1173 3.979,1174 4.029,1175 4.064,1176 3.882,1177 5.112,1178 3.871,1179 3.889,1180 3.922,1181 3.838,1182 3.803,1183 4.842,1184 3.81,1185 3.654,1186 3.721,1187 3.699,1188 3.473,1189 4.746,1190 3.468,1191 3.171,1192 3.225,1193 3.332,1194 3.088,1195 3.836,1196 3.044,1197 2.854,1198 2.925,1199 2.708,1200 2.735,1201 3.787,1202 2.715,1203 2.854,1204 2.925,1205 2.687,1206 2.735,1207 3.674,1208 2.715,1209 2.698,1210 2.757,1211 2.687,1212 2.596,1213 3.674,1214 2.565,1215 2.531,1216 2.616,1217 2.526,1218 2.35,1219 3.603,1220 2.328,1221 0.204,1222 0.211,1223 0.294,1224 0.184,1225 0.139,1226 4.293,1227 0.188,1228 4.438,1229 0.156,1230 6.181,1231 0.439,1232 3.866,1233 0.132,1234 2.92,1235 3.954,1236 3.272,1237 9.223,1238 2.778,1239 1.906,1240 1.879,1241 2.027,1242 1.98,1243 1.153,1244 2.001,1245 1.845,1246 1.809,1247 1.946,1248 1.976,1249 0.988,1250 1.97,1251 1.315,1252 1.286,1253 1.42,1254 1.586,1255 0.69,1256 1.536,1257 1.205,1258 1.117,1259 1.339,1260 1.428,1261 0.255,1262 1.453,1263 0.997,1264 0.931,1265 1.181,1266 1.225,1267 0.218,1268 1.213,1269 0.886,1270 0.821,1271 1.181,1272 1.062,1273 0.218,1274 1.107,1275 0.886,1276 0.821,1277 1.066,1278 1.062,1279 0.078,1280 1.107,1281 0.511,1282 0.424,1283 0.877,1284 0.756,1286 0.804,1287 3.761,1289 5.017,1290 2.398,1291 6.466,1292 4.595,1293 7.993,1294 6.581,1295 9.557,1303 0.87,1307 1.62,1314 21.38,1315 49.258,1316 99.399,1317 119.174,1318 132.825,1319 135.58,1320 135.58,1321 18.103,1322 6.438,1323 54.46,1324 79.76,1325 17,1326 11.812,1327 4.17,1328 3.248,1329 28.036,1330 63,1331 54,1332 0.218,1333 137.772,1334 222.37,1335 327.924,1336 5000,1338 12.916,1339 0.68,1340 0.577,1341 13.27,1342 10.97,1343 9.416,1344 0.448,1345 0.328,1346 5.936,1347 8.698,1348 5.714,1349 4.772,1350 9.87,1351 6.897,1352 7.919,1353 0.293,1354 0.182,1355 8.496,1356 4.919,1357 6.606,1358 0.194,1359 0.104,1360 7.283,1361 3.548,1362 5.357,1363 0.128,1364 0.058,1365 6.034,1366 2.426,1367 4.101,1368 0.085,1369 0.034,1370 4.831,1371 1.646,1372 0.346,1373 62.853,1374 0.26,1375 19.479,1376 0.581,1377 96,1378 272.129,1379 126.389,1380 292.513,1381 405.22,1382 276,1383 109,1384 288.438,1385 135.117,1386 307.365,1387 443.51,1388 288,1389 5.1}
{0 CHEMBL1968930,1 1.578,2 9.261,3 2.489,4 6.195,5 93.949,6 7.878,7 0.64,8 3.84,9 3.983,10 3.448,11 3.36,12 4.951,13 3.339,14 4.353,15 4.547,16 3.85,17 3.763,18 5.426,19 3.718,20 4.592,21 4.802,22 3.852,23 3.893,24 5.596,25 3.803,26 4.772,27 5.073,28 3.806,29 3.838,30 5.715,31 3.724,32 4.541,33 4.81,34 3.743,35 3.718,36 5.494,37 3.615,38 4.386,39 4.615,40 3.785,41 3.634,42 5.531,43 3.565,44 4.266,45 4.465,46 3.705,47 3.616,48 5.367,49 3.507,50 4.268,51 4.475,52 3.365,53 3.54,54 5.301,55 3.37,56 0.047,57 0.67,58 8.381,59 3.242,60 9.14,61 4.62,62 0.24,63 1.025,64 16.489,65 5.758,66 26.232,67 8.268,68 0.126,69 1.211,70 21.769,71 7.472,72 22.409,73 10.9,74 0.523,75 1.22,76 31.635,77 7.87,78 54.657,79 12.399,80 0.236,81 1.011,82 24.566,83 7.096,84 29.139,85 10.583,86 0.418,87 0.899,88 22.895,89 5.076,90 40.618,91 7.369,92 0.244,93 0.784,94 19.515,95 5.624,96 25.125,97 7.731,98 0.261,99 0.702,100 25.484,101 6.404,102 32.933,103 8.615,104 21,105 36,106 0.277,107 0.669,108 0.811,109 0.848,110 0.848,111 0.848,112 3.189,113 0.933,114 -3.65,115 -3.62,116 -3.45,119 38.1,120 2,123 1,125 2,142 3,143 2,145 1,146 1,147 1,150 1,151 1,161 1,163 1,164 1,165 1,172 5,174 1,175 6,178 3,180 4,183 5,185 1,188 3,193 5,196 2,198 2,200 5,203 1,204 1,205 5,207 1,208 2,212 1,213 7,218 1,221 2,225 1,227 2,228 3,229 1,230 2,233 4,237 1,238 2,241 1,243 1,246 8,255 4,258 3,260 3,264 1,269 3,272 3,274 1,276 710,277 15.248,278 15.248,279 15.248,280 15.248,281 15.248,282 13.406,283 11.088,284 8.763,285 15.7,286 12.259,287 12.259,288 12.259,289 12.259,290 12.259,291 9.469,292 16.907,293 4.09,294 13.059,295 3.815,296 1.579,297 0.768,298 0.56,299 0.56,300 0.56,301 3.865,303 1,304 1,305 1,306 1,307 452,308 3.464,311 46.555,312 131.98,315 88.521,319 1.49,320 18.823,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 49.333,332 213,333 4.6,334 3.229,335 6.715,336 4.175,337 3.186,338 4.535,339 0.4,340 10.928,341 3.158,342 4.201,343 3.181,344 6.69,345 4.137,346 3.159,347 3.814,349 10.767,350 3.087,351 4.114,352 2.95,353 5.853,354 3.626,355 2.713,356 3.179,358 8.267,359 2.476,360 3.557,361 2.43,362 5.358,363 3.122,364 2.187,365 2.937,367 6.772,368 2.031,369 3.29,370 2.249,371 4.794,372 2.81,373 1.965,374 2.538,376 5.392,377 1.604,378 3.046,379 1.547,380 4.503,381 2.513,382 1.547,383 2.319,385 4.24,386 1.489,387 2.921,388 1.476,389 4.006,390 2.378,391 1.442,392 2.118,394 3.449,395 1.322,396 2.526,397 1.063,398 3.594,399 1.992,400 1.033,401 1.539,403 2.563,404 0.984,405 1.975,406 0.963,407 3.562,408 1.655,409 0.732,410 0.791,412 1.667,413 0.673,414 1.826,415 0.627,416 3.094,417 1.427,418 0.487,419 0.713,421 1.174,422 0.456,423 1.37,424 0.489,425 2.906,426 1.268,427 0.34,428 0.348,430 0.479,431 0.315,432 0.957,433 0.208,434 2.582,435 0.431,436 -0.387,437 -0.491,439 -0.993,440 -0.245,441 0.842,442 -0.437,443 2.524,444 0.407,445 -0.526,446 -0.671,448 -1.516,449 -0.495,450 0.667,451 -0.662,452 2.134,453 0.147,454 -0.777,455 -0.954,457 -1.971,458 -0.68,459 0.564,460 -0.843,461 2,462 0.082,463 -0.854,464 -1,466 -2.148,467 -0.819,468 11.114,469 0.483,470 0.69,471 0.03,472 30,473 1.304,474 14.5,475 0.63,476 15.5,477 0.674,478 19.181,479 0.834,480 24.886,481 0.593,482 19.945,483 0.867,484 5.657,485 0.246,486 5.325,487 0.232,488 0.19,489 0.045,490 0.27,496 0.96,497 1.412,498 0.667,499 0.965,500 1.029,501 0.901,502 0.644,503 0.957,504 0.629,505 0.839,506 0.626,507 0.819,508 0.882,509 1.499,510 0.889,511 1.27,512 0.804,513 1.206,514 0.985,515 0.69,516 0.702,517 0.617,518 1.056,519 0.692,520 0.897,521 1.051,522 0.768,523 0.832,524 0.753,525 0.794,526 1.634,527 0.772,528 1.396,529 0.825,530 1.491,531 0.875,532 1.257,533 1.02,534 1.417,535 1.16,536 1.151,537 1.16,538 1.576,539 1.126,540 2.281,541 1.689,542 1.543,543 1.514,544 6,545 0.082,546 2.667,547 1.507,548 1.241,549 0.583,550 0.66,551 0.359,552 0.215,553 0.18,554 5320,555 14367,556 2.031,557 45.2,558 6,559 7,560 1,561 1,562 4,567 1.659,568 1.878,569 3.181,570 1.865,571 1,572 1,574 1,577 66.257,578 1.578,579 3.813,580 4.624,581 4.833,582 4.833,583 4.833,584 2.666,585 4.263,586 4.496,587 3.337,588 844.158,589 7.75,590 9524.41,591 1,592 1,594 1,595 226.477,596 1.631,597 4.433,598 0.24,599 0.008,600 0.074,601 0.044,602 0.041,603 0.02,604 0.024,605 0.015,606 0.013,607 0.013,608 0.492,609 0.17,610 1,611 1.422,612 107.001,613 -0.137,614 -0.149,615 0.009,616 0.01,617 -0.198,618 0.035,619 0.225,620 0.192,621 0.133,622 0.129,623 0.196,624 0.134,625 -0.063,626 -0.432,627 -0.083,628 -0.29,629 -0.01,630 -0.235,631 0.041,632 0.225,633 0.182,634 0.281,635 -0.013,636 0.255,637 0.05,638 -0.124,639 0.201,640 0.141,641 0.126,642 0.195,643 -0.141,644 0.3,645 -0.111,646 0.116,647 -0.169,648 0.02,649 -0.049,650 0.029,651 -0.107,652 -0.1,653 -0.025,654 -0.178,655 -0.275,656 -0.208,657 -0.572,658 -0.516,659 -0.233,660 -0.463,661 1.295,662 2.049,663 0.652,664 17.951,665 1.003,666 1.139,667 2.421,668 5.863,669 0.672,670 3.258,671 3.611,672 3.829,673 4.078,674 4.29,675 4.369,676 4.511,677 4.605,678 4.595,679 4.585,680 5.565,681 0.634,682 330.86,683 3.258,684 4.812,685 5.652,686 6.544,687 7.405,688 8.3,689 9.172,690 10.068,691 10.946,692 11.842,693 14.3,694 1,698 1,701 1,703 3,708 2,709 5,710 3,711 1,714 4,716 16,728 1,734 1,735 42,737 16,739 25,741 44,742 16,743 11,748 3,749 4,750 1,754 3,755 1,762 11,763 5,779 1,780 1,783 19,784 5,785 4,786 7,787 1,792 6,797 0.667,809 1,810 1,811 1,815 1,816 2,819 1,836 1,843 2,847 2,848 1,851 23,852 1,858 2,860 1,865 1,873 1,881 12.25,882 7.993,883 5,884 2.345,886 3.208,887 1.459,888 0.978,889 4.418,890 10.192,891 3.526,892 4.171,893 4.77,894 5.409,895 5.952,896 6.311,897 6.763,898 7.206,899 7.409,900 7.753,901 1,902 34,903 8.437,905 3.527,906 7.69,907 16.115,909 13.094,911 2.19,912 50.361,915 1,916 176.567,917 83.587,918 118.05,919 39.149,923 83.587,924 215.715,925 118.05,926 17.65,927 37.109,928 37.476,929 81.854,930 34.348,931 55.891,932 153.024,934 176.567,935 201.637,937 39.149,939 176.567,943 86.963,944 46.306,945 68.367,946 39.149,947 176.567,948 118.05,949 122.736,952 176.567,953 19.413,954 64.174,955 34.796,956 122.402,957 176.567,958 118.05,959 122.736,961 0.59,962 0.332,963 0.167,964 0.092,965 18,966 8,967 0.114,968 5,969 1,970 1.133,971 3.457,972 183.25,973 0.133,974 15,975 102.042,981 16.029,982 6.34,983 3.567,984 1.812,985 101.265,986 9.262,987 13.096,988 3.139,991 2.574,993 67.693,994 417.352,995 33,1007 42.12,1008 47.84,1009 0.293,1010 0.707,1011 0.858,1012 0.896,1013 0.896,1014 0.896,1015 4.771,1016 1.033,1017 5.687,1018 3.449,1019 4.29,1020 4.856,1021 0.278,1022 6.535,1023 4.179,1024 6.014,1025 0.732,1026 7.277,1027 2.563,1028 4.111,1029 4.783,1031 7.735,1032 3.985,1033 7.35,1034 0.487,1035 8.973,1036 1.667,1037 5.984,1038 7.129,1039 0.05,1040 10.693,1041 5.814,1042 8.722,1043 0.34,1044 10.732,1045 1.174,1046 6.581,1047 7.854,1049 12.647,1050 6.425,1051 10.123,1052 -0.387,1053 12.529,1054 0.479,1055 7.987,1056 9.712,1057 0.008,1058 15.204,1059 7.794,1060 11.544,1061 -0.526,1062 14.353,1063 -0.993,1064 8.903,1065 10.829,1067 17.425,1068 8.724,1069 12.98,1070 -0.777,1071 16.194,1072 -1.516,1073 10.142,1074 12.48,1075 0.001,1076 19.863,1077 9.938,1078 3.186,1079 -0.854,1080 18.048,1081 -1.971,1082 11.192,1083 13.795,1085 22.182,1086 10.993,1087 3.159,1088 10.928,1089 19.912,1090 -2.148,1091 12.372,1092 15.357,1094 24.583,1095 12.155,1096 2.713,1097 10.767,1098 21.783,1099 4.535,1100 13.478,1101 16.77,1103 26.94,1104 13.259,1105 2.187,1106 8.267,1107 23.66,1108 3.814,1109 14.636,1110 18.295,1112 29.329,1113 14.404,1114 1.965,1115 6.772,1116 25.541,1117 3.179,1118 15.767,1119 19.756,1121 31.701,1122 15.528,1123 1.547,1124 5.392,1125 27.426,1126 2.937,1127 16.918,1128 21.266,1130 34.086,1131 16.668,1132 1.442,1133 4.24,1134 29.314,1135 2.538,1136 18.06,1137 22.751,1139 36.465,1140 17.801,1141 5275,1142 8825,1143 16.296,1144 28.222,1145 37.811,1146 38.175,1147 38.79,1148 37.702,1149 37.581,1150 49.661,1151 0.8,1152 111.394,1153 35.193,1154 5.465,1155 5.229,1156 6.396,1157 5.249,1158 5.186,1159 7.535,1160 0.8,1161 18.108,1162 5.101,1163 12.042,1164 1.512,1165 1.527,1166 1.552,1167 1.508,1168 1.503,1169 1.986,1170 0.032,1171 4.456,1172 1.408,1173 4.124,1174 4.163,1175 4.112,1176 4.014,1177 5.141,1178 4.028,1179 3.846,1180 3.907,1181 3.915,1182 3.692,1183 5.01,1184 3.698,1185 3.723,1186 3.777,1187 3.656,1188 3.591,1189 5.003,1190 3.595,1191 3.367,1192 3.432,1193 3.351,1194 3.217,1195 4.508,1196 3.222,1197 3.164,1198 3.278,1199 3.224,1200 2.895,1201 4.346,1202 2.908,1203 3.054,1204 3.172,1205 2.944,1206 2.755,1207 4.19,1208 2.747,1209 2.874,1210 3.009,1211 2.811,1212 2.666,1213 3.943,1214 2.689,1215 2.87,1216 2.935,1217 2.658,1218 2.618,1219 3.77,1220 2.57,1221 0.184,1222 0.129,1223 0.269,1224 0.167,1225 0.127,1226 4.6,1227 0.181,1228 3.229,1229 0.016,1230 6.715,1231 0.437,1232 4.175,1233 0.126,1234 3.186,1235 4.535,1236 0.4,1237 10.928,1238 3.158,1239 1.904,1240 1.877,1241 2.016,1242 2.027,1243 1.296,1244 2.018,1245 1.801,1246 1.745,1247 1.966,1248 1.976,1249 1.082,1250 1.978,1251 1.71,1252 1.664,1253 1.79,1254 1.887,1255 0.815,1256 1.874,1257 1.383,1258 1.319,1259 1.529,1260 1.624,1261 0.576,1262 1.607,1263 1.106,1264 1.009,1265 1.458,1266 1.448,1267 0.477,1268 1.461,1269 1.041,1270 0.942,1271 1.417,1272 1.342,1273 0.472,1274 1.368,1275 0.982,1276 0.906,1277 1.381,1278 1.239,1279 0.469,1280 1.308,1281 0.934,1282 0.804,1283 1.152,1284 1.132,1285 0.27,1286 1.146,1287 3.932,1289 5.273,1290 2.398,1291 6.799,1292 4.727,1293 8.404,1294 6.843,1295 10.052,1297 4.16,1298 6.16,1301 5.752,1303 1.236,1305 3.215,1310 -0.045,1314 26.644,1315 66.257,1316 160.139,1317 194.213,1318 202.968,1319 202.968,1320 202.968,1321 33.912,1322 6.985,1323 92.51,1324 92.51,1325 17,1326 12.37,1327 4.087,1328 3.17,1329 36.775,1330 76,1331 77,1332 0.24,1333 170.675,1334 278.31,1335 408.206,1336 9200,1337 2.4,1338 16.449,1339 0.715,1340 0.602,1341 16.949,1342 13.854,1343 10.982,1344 0.439,1345 0.311,1346 7.326,1347 10.325,1348 7.035,1349 5.905,1350 11.271,1351 7.772,1352 10.444,1353 0.29,1354 0.184,1355 10.853,1356 6.611,1357 8.257,1358 0.183,1359 0.087,1360 8.493,1361 3.893,1362 6.524,1363 0.112,1364 0.041,1365 6.842,1366 2.376,1367 5.266,1368 0.073,1369 0.022,1370 5.509,1371 1.554,1372 0.37,1373 71.602,1374 0.248,1375 22.382,1376 0.674,1377 122,1378 327.117,1379 148.355,1380 355.909,1381 484.76,1382 332,1383 142,1384 344.046,1385 162.416,1386 362.249,1387 530.05,1388 339,1389 7.4}
{0 CHEMBL1969042,1 1.568,2 9.852,3 4.612,4 21.268,5 102.468,6 8.168,7 0.767,8 3.916,9 4.015,10 3.543,11 3.491,12 5.182,13 3.493,14 4.33,15 4.443,16 3.898,17 3.867,18 5.58,19 3.851,20 4.603,21 4.768,22 3.92,23 3.953,24 5.807,25 3.913,26 4.64,27 4.845,28 3.847,29 3.917,30 5.724,31 3.859,32 4.589,33 4.8,34 3.901,35 3.922,36 5.665,37 3.878,38 4.616,39 4.809,40 3.889,41 3.962,42 5.741,43 3.91,44 4.64,45 4.836,46 3.866,47 3.963,48 5.824,49 3.886,50 4.611,51 4.812,52 3.695,53 3.867,54 5.796,55 3.776,56 0.136,57 0.619,58 7.769,59 3.749,60 17.585,61 4.111,62 0.091,63 0.947,64 11.505,65 5.984,66 11.201,67 7.083,68 0.291,69 1.199,70 18.558,71 7.753,72 39.802,73 9.251,74 0.318,75 1.257,76 21.17,77 8.01,78 46.73,79 10.249,80 0.292,81 1.27,82 19.402,83 7.059,84 29.896,85 9.449,86 0.318,87 1.269,88 19.273,89 7.37,90 34.166,91 9.37,92 0.411,93 1.203,94 20.661,95 8.732,96 40.821,97 11.512,98 0.359,99 1.117,100 20.902,101 8.703,102 46.439,103 10.992,104 10,105 42,106 0.267,107 0.516,108 0.609,109 0.714,110 0.777,111 0.811,112 3.341,113 0.833,114 -3.73,115 -3.69,116 -3.51,119 47.7,142 12,143 3,144 4,146 1,153 1,168 1,172 11,175 2,179 1,180 10,183 13,188 3,191 1,193 11,196 11,200 4,205 11,208 8,213 4,217 1,218 11,221 12,225 2,228 1,230 3,233 16,241 1,242 4,243 3,246 18,253 1,254 1,255 5,258 12,269 9,272 4,276 1281,277 18.309,278 18.309,279 18.309,280 18.309,281 18.309,282 15.484,283 15.957,284 10.76,285 18.554,286 14.808,287 14.808,288 14.808,289 14.808,290 14.808,291 10.713,292 20.988,293 5.159,294 15.257,295 3.892,296 2.433,297 1.882,298 1.268,299 0.898,300 0.699,301 4.038,305 1,306 1,307 577,308 2.345,311 75.579,312 257.447,319 1.435,320 26.731,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 58.5,332 266,333 4.596,334 3.276,335 6.909,336 4.221,337 3.241,338 4.321,339 0.4,340 11.628,341 3.178,342 4.046,343 2.797,344 5.89,345 3.639,346 2.664,347 3.648,349 8.201,350 2.602,351 4.005,352 2.72,353 5.509,354 3.577,355 2.598,356 3.613,358 7.371,359 2.535,360 3.839,361 2.62,362 5.221,363 3.381,364 2.417,365 3.405,367 6.485,368 2.323,369 3.523,370 2.436,371 5.034,372 3.14,373 2.192,374 2.842,376 6.019,377 2.072,378 3.409,379 2.257,380 4.948,381 3.028,382 2.071,383 2.704,385 5.783,386 1.971,387 3.239,388 1.962,389 4.803,390 2.801,391 1.841,392 2.52,394 5.301,395 1.759,396 2.695,397 1.363,398 4.347,399 2.222,400 1.269,401 1.773,403 3.726,404 1.205,405 2.5,406 1,407 3.751,408 2,409 1,410 1.5,412 2.339,413 1,414 2.5,415 1,416 3.414,417 2,418 1,419 1.5,421 2.275,422 1,423 2.5,424 1,425 3.414,426 2,427 1,428 1.5,430 2.275,431 1,432 2.363,433 0.929,434 3.414,435 1.875,436 0.895,437 1.3,439 2.275,440 0.875,441 1.475,442 0.482,443 3.002,444 1.168,445 0.228,446 0.273,448 0.561,449 0.212,450 1.204,451 0.194,452 2.568,453 0.846,454 -0.095,455 -0.117,457 -0.21,458 -0.088,459 1.062,460 0.041,461 2.333,462 0.664,463 -0.271,464 -0.343,466 -0.598,467 -0.25,468 12.7,469 0.47,470 0.661,471 0.024,472 40.75,473 1.509,474 24,475 0.889,476 16.75,477 0.62,478 17.118,479 0.634,480 27.5,481 0.625,482 30.742,483 1.139,484 8.321,485 0.308,486 4.776,487 0.177,488 0.079,490 0.354,496 1.021,497 0.843,498 0.788,499 0.742,500 1.051,501 0.722,502 0.651,503 1.215,504 0.788,505 1.116,506 0.573,507 1.005,508 1.05,509 1.162,510 1.05,511 1.08,512 0.983,513 1.068,514 0.926,515 1.188,516 0.983,517 0.976,518 0.834,519 0.982,520 0.644,521 1.112,522 0.86,523 0.854,524 0.373,525 0.862,526 0.81,527 1.015,528 1.043,529 0.943,530 0.603,531 0.993,532 0.471,533 0.896,534 0.899,535 1.037,536 0.591,537 1.051,538 0.863,539 0.918,540 1.082,541 1.121,542 0.955,543 1.146,544 5.5,545 0.157,546 3.111,547 1.5,548 1.607,549 0.876,550 0.666,551 0.478,552 0.334,553 0.245,554 8457,555 25677,556 2.12,557 38.6,559 12,562 5,567 1.708,568 2,569 3.269,570 2.474,577 68.98,578 1.568,579 3.026,580 3.578,581 4.192,582 4.561,583 4.76,584 2.732,585 4.236,586 4.721,587 3.413,588 1198.12,589 8.238,590 15174.1,592 1,595 240.215,596 1.352,597 4.694,598 0.183,599 0.01,600 0.074,601 0.037,602 0.042,603 0.021,604 0.017,605 0.013,606 0.011,607 0.011,608 0.419,609 0.17,610 1,611 0.528,612 132.084,613 -0.143,614 0.236,615 -0.027,616 0.204,617 -0.219,618 0.126,619 0.005,620 -0.162,621 -0.03,622 -0.158,623 0.031,624 -0.116,625 -0.128,626 -0.141,627 -0.148,628 -0.125,629 -0.1,630 -0.142,631 -0.112,632 -0.162,633 -0.021,634 -0.021,635 -0.102,636 -0.01,637 -0.017,638 0.003,639 0.062,640 0.066,641 0.047,642 0.083,643 -0.09,644 0.078,645 -0.14,646 -0.015,647 -0.038,648 -0.062,649 0.263,650 0.077,651 0.042,652 -0.043,653 0.123,654 -0.046,655 0.034,656 0.004,657 -0.099,658 -0.111,659 -0.009,660 -0.126,661 1.485,662 3.611,663 0.852,664 24.798,665 1.011,666 1.114,667 2.498,668 6.241,669 0.698,670 3.434,671 3.761,672 4.025,673 4.304,674 4.575,675 4.644,676 4.804,677 4.963,678 5.056,679 5.069,680 5.948,681 0.679,682 359.41,683 3.434,684 4.977,685 5.826,686 6.706,687 7.578,688 8.466,689 9.35,690 10.243,691 11.135,692 12.032,693 6.8,701 2,703 1,709 12,710 1,711 1,714 9,716 23,728 1,732 3,735 44,737 23,738 3,739 30,741 47,742 21,743 21,744 6,745 12,748 4,749 4,762 21,780 1,783 17,784 5,785 5,786 6,792 3,797 1,798 3,807 1,815 1,816 3,843 4,851 27,857 3,860 1,874 6.8,876 3,881 13.5,882 7.55,883 5.861,884 2.354,886 3.369,887 1.456,888 0.969,889 4.645,890 10.753,891 3.75,892 4.391,893 4.984,894 5.589,895 6.145,896 6.411,897 6.859,898 7.33,899 7.737,900 8.05,901 0.857,902 41,903 9.896,905 4.266,906 7.907,907 18.524,909 15.203,911 2.407,912 65,915 1,916 141.253,917 131.113,918 51.337,920 128.05,923 131.113,924 269.303,925 51.337,928 113.715,929 144.713,930 52.072,932 141.253,934 141.253,935 182.45,936 128.05,939 141.253,940 128.05,943 39.758,944 126.028,945 16.663,947 141.253,948 179.387,949 131.113,952 141.253,953 17.398,954 113.715,955 34.674,956 144.713,957 141.253,958 179.387,959 131.113,961 0.584,962 0.332,963 0.176,964 0.107,965 21,966 9,967 0.085,968 4,970 1,971 3.863,972 237.337,974 23,975 116.382,981 17.305,982 7.248,983 3.707,985 162.724,986 20.376,987 4.448,988 3.015,991 5.258,993 162.724,994 451.753,995 41.5,1007 44.473,1008 49.03,1009 0.287,1010 0.554,1011 0.655,1012 0.768,1013 0.836,1014 0.872,1015 4.968,1016 1.269,1017 5.808,1018 5.301,1019 4.443,1020 5.078,1021 0.278,1022 6.608,1023 4.385,1024 6.19,1025 1,1026 7.357,1027 3.726,1028 4.007,1029 4.808,1031 7.499,1032 3.893,1033 7.495,1034 1,1035 9.004,1036 2.339,1037 6.023,1038 7.289,1039 0.05,1040 10.611,1041 5.918,1042 8.836,1043 1,1044 10.711,1045 2.275,1046 6.399,1047 7.825,1049 12.408,1050 6.247,1051 10.207,1052 0.895,1053 12.46,1054 2.275,1055 7.886,1056 9.754,1057 0.008,1058 15.063,1059 7.739,1060 11.599,1061 0.228,1062 14.241,1063 2.275,1064 8.65,1065 10.692,1067 17.256,1068 8.47,1069 13.009,1070 -0.095,1071 16.049,1072 0.561,1073 9.926,1074 12.371,1075 0.001,1076 19.77,1077 9.744,1078 3.241,1079 -0.271,1080 17.878,1081 -0.21,1082 10.89,1083 13.533,1085 22.124,1086 10.682,1087 2.664,1088 11.628,1089 19.725,1090 -0.598,1091 12.083,1092 15.087,1094 24.594,1095 11.866,1096 2.598,1097 8.201,1098 21.587,1099 4.321,1100 13.149,1101 16.377,1103 27.009,1104 12.911,1105 2.417,1106 7.371,1107 23.462,1108 3.648,1109 14.315,1110 17.872,1112 29.467,1113 14.064,1114 2.192,1115 6.485,1116 25.347,1117 3.613,1118 15.432,1119 19.234,1121 31.905,1122 15.161,1123 2.071,1124 6.019,1125 27.241,1126 3.405,1127 16.592,1128 20.702,1130 34.359,1131 16.306,1132 1.841,1133 5.783,1134 29.142,1135 2.842,1136 17.735,1137 22.106,1139 36.807,1140 17.43,1141 8074,1142 14168,1143 20.285,1144 30.71,1145 45.414,1146 44.917,1147 46.515,1148 44.971,1149 44.834,1150 61.798,1151 0.8,1152 128.477,1153 43.464,1154 5.376,1155 5.276,1156 6.323,1157 5.257,1158 5.241,1159 7.321,1160 0.8,1161 18.845,1162 5.178,1163 12.007,1164 1.514,1165 1.497,1166 1.551,1167 1.499,1168 1.494,1169 2.06,1170 0.027,1171 4.283,1172 1.449,1173 4.077,1174 4.113,1175 4.043,1176 3.983,1177 6.476,1178 3.992,1179 3.883,1180 3.908,1181 3.825,1182 3.809,1183 6.468,1184 3.809,1185 3.851,1186 3.872,1187 3.791,1188 3.786,1189 6.468,1190 3.784,1191 3.669,1192 3.72,1193 3.617,1194 3.494,1195 5.026,1196 3.52,1197 3.062,1198 3.105,1199 2.991,1200 2.853,1201 4.64,1202 2.879,1203 2.912,1204 2.945,1205 2.833,1206 2.735,1207 4.574,1208 2.744,1209 2.89,1210 2.925,1211 2.799,1212 2.735,1213 4.523,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.81,1220 2.715,1221 0.153,1222 0.109,1223 0.23,1224 0.141,1225 0.108,1226 4.596,1227 0.144,1228 3.276,1229 0.013,1230 6.909,1231 0.388,1232 4.221,1233 0.106,1234 3.241,1235 4.321,1236 0.4,1237 11.628,1238 3.178,1239 1.95,1240 1.931,1241 2.034,1242 2.028,1243 1.16,1244 2.03,1245 1.876,1246 1.851,1247 1.982,1248 1.984,1249 1.052,1250 1.984,1251 1.848,1252 1.826,1253 1.957,1254 1.939,1255 1.031,1256 1.945,1257 1.394,1258 1.357,1259 1.493,1260 1.669,1261 0.606,1262 1.62,1263 1.224,1264 1.158,1265 1.315,1266 1.446,1267 0.289,1268 1.414,1269 0.886,1270 0.834,1271 1.181,1272 1.162,1273 0.218,1274 1.127,1275 0.886,1276 0.821,1277 1.181,1278 1.066,1279 0.218,1280 1.107,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.111,1289 5.434,1290 2.398,1291 6.946,1292 4.727,1293 8.542,1294 6.843,1295 10.183,1302 28.63,1305 3.273,1314 29.896,1315 68.98,1316 133.156,1317 157.421,1318 184.441,1319 200.705,1320 209.46,1321 42.708,1322 7.384,1323 101.4,1324 101.4,1325 23,1326 12.558,1327 4.585,1328 3.644,1329 39.86,1330 89,1331 112,1332 0.207,1333 182.806,1334 309.15,1335 437.807,1336 14350,1338 18.803,1339 0.696,1340 0.527,1341 18.803,1342 14.217,1343 13.097,1344 0.437,1345 0.278,1346 8.239,1347 12.694,1348 8.092,1349 6.713,1350 13.097,1351 8.332,1352 11.98,1353 0.285,1354 0.145,1355 11.98,1356 6.088,1357 9.952,1358 0.181,1359 0.076,1360 9.952,1361 4.2,1362 8.078,1363 0.111,1364 0.039,1365 8.078,1366 2.859,1367 7.031,1368 0.073,1369 0.021,1370 7.031,1371 1.99,1372 0.316,1373 81.633,1374 0.222,1375 25.598,1376 0.597,1377 144,1378 416.76,1379 155.862,1380 413.497,1381 567.65,1382 384,1383 169,1384 426.796,1385 180.422,1386 434.668,1387 629.68,1388 410,1389 5.2}
{0 CHEMBL1969049,1 1.414,2 11.538,3 3.837,4 14.72,5 103.05,6 7.218,7 0.643,8 3.941,9 4.055,10 3.482,11 3.529,12 5.067,13 3.494,14 4.438,15 4.606,16 3.798,17 3.886,18 5.51,19 3.832,20 4.644,21 4.823,22 3.876,23 4.042,24 5.696,25 3.964,26 4.763,27 4.966,28 3.823,29 4.06,30 5.809,31 3.954,32 4.823,33 5.056,34 3.761,35 4.026,36 5.847,37 3.902,38 4.754,39 4.999,40 3.583,41 3.894,42 5.745,43 3.762,44 4.586,45 4.853,46 3.486,47 3.729,48 5.599,49 3.604,50 4.415,51 4.657,52 3.389,53 3.608,54 5.443,55 3.497,56 0.027,57 0.635,58 9.745,59 4.49,60 8.206,61 5.856,62 0.18,63 1.008,64 17.637,65 7.236,66 21.694,67 9.613,68 0.152,69 1.229,70 21.85,71 9.034,72 27.098,73 12.045,74 0.18,75 1.345,76 25.449,77 10.324,78 36.258,79 13.882,80 0.282,81 1.386,82 28.264,83 11.017,84 48.192,85 15.014,86 0.299,87 1.283,88 27.077,89 9.903,90 50.016,91 13.458,92 0.302,93 1.102,94 23.035,95 8.344,96 44.337,97 11.829,98 0.154,99 0.91,100 18.926,101 7.299,102 33.071,103 9.974,104 18,105 38,106 0.239,107 0.563,108 0.766,109 0.86,110 0.867,111 0.867,112 3.304,113 0.915,114 -4.23,115 -4.17,116 -3.94,119 45.8,120 2,124 1,127 1,142 9,143 5,144 1,145 2,158 1,172 14,175 5,178 1,180 3,183 18,188 5,193 4,196 16,200 6,205 3,208 11,213 7,216 1,218 3,221 9,225 5,230 1,233 9,237 1,238 5,243 2,246 11,250 2,258 10,263 1,264 2,267 1,272 10,276 1000,277 17.577,278 17.577,279 17.577,280 17.577,281 17.577,282 15.321,283 15.446,284 10.424,285 17.866,286 13.738,287 13.738,288 13.738,289 13.738,290 13.738,291 10.328,292 19.526,293 4.855,294 14.067,295 4.171,296 2.262,297 1.058,298 0.506,299 0.464,300 0.464,301 3.984,304 1,305 1,306 1,307 637,308 3.317,312 287.198,319 1.846,320 17.967,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 55,332 300,333 4.413,334 3.59,335 6.474,336 4.049,337 3.049,338 4.094,339 1.081,340 10.033,341 3.048,342 4.171,343 3.097,344 6.139,345 3.862,346 2.878,347 3.725,348 0.86,349 8.99,350 2.829,351 4.016,352 3.026,353 5.935,354 3.652,355 2.651,356 3.506,357 0.473,358 8.326,359 2.65,360 3.59,361 2.688,362 5.25,363 3.242,364 2.293,365 2.97,367 6.564,368 2.171,369 3.481,370 2.299,371 5.064,372 3.075,373 2.087,374 2.75,376 5.782,377 2.055,378 2.953,379 1.817,380 4.338,381 2.499,382 1.537,383 2.114,385 4.067,386 1.472,387 2.869,388 1.619,389 4.033,390 2.454,391 1.478,392 1.987,394 3.512,395 1.44,396 2.725,397 1.575,398 3.773,399 2.262,400 1.266,401 1.806,403 2.864,404 1.254,405 2.548,406 1.15,407 3.497,408 2.057,409 1.08,410 1.56,412 2.584,413 1.053,414 2.5,415 1.097,416 3.456,417 1.984,418 1,419 1.5,421 2.229,422 0.983,423 2.298,424 1,425 3.247,426 1.894,427 0.884,428 1.188,430 2.136,431 0.887,432 1.583,433 0.935,434 2.735,435 1.292,436 0.427,437 0.48,439 0.621,440 0.366,441 1.239,442 0.289,443 2.662,444 0.903,445 -0.091,446 -0.114,448 -0.217,449 -0.09,450 0.842,451 0.087,452 2.495,453 0.514,454 -0.489,455 -0.575,457 -1.201,458 -0.485,459 0.755,460 -0.379,461 2.257,462 0.353,463 -0.657,464 -0.876,466 -1.456,467 -0.652,468 12.467,469 0.479,470 0.592,471 0.023,472 35.75,473 1.375,474 20,475 0.769,476 15.75,477 0.606,478 19.328,479 0.743,480 27.133,481 0.565,482 26.268,483 1.01,484 7.32,485 0.282,486 5.26,487 0.202,488 0.147,490 0.321,496 0.754,497 1.161,498 0.815,499 1.038,500 0.64,501 0.948,502 0.978,503 0.949,504 0.864,505 0.871,506 0.661,507 0.856,508 1.015,509 1.085,510 1.025,511 1.061,512 0.93,513 1.044,514 1.043,515 1.17,516 1.109,517 1.177,518 1.272,519 1.156,520 1.043,521 1.063,522 1.035,523 1.069,524 1.311,525 1.06,526 1.377,527 0.994,528 1.125,529 0.984,530 1.547,531 1.02,532 0.81,533 0.846,534 0.874,535 0.851,536 0.948,537 0.855,538 1.06,539 0.967,540 0.902,541 0.961,542 1.359,543 0.923,544 5,545 0.112,546 3.111,547 1.75,548 1.427,549 0.924,550 0.527,551 0.321,552 0.209,553 0.192,554 8214,555 20994,556 2.037,557 45.8,558 3,559 13,561 2,562 1,564 3,567 1.688,568 1.902,569 3.504,570 -0.408,572 1,577 67.863,578 1.414,579 3.323,580 4.527,581 5.079,582 5.121,583 5.121,584 2.95,585 4.133,586 4.672,587 3.645,588 1184.61,589 8.078,590 15065.8,592 1,594 1,595 268.078,596 1.42,597 4.628,598 0.179,599 0.007,600 0.082,601 0.044,602 0.04,603 0.028,604 0.02,605 0.013,606 0.009,607 0.01,608 0.429,609 0.33,610 1,611 0.777,612 128.602,613 -0.012,614 -0.066,615 0.043,616 -0.022,617 -0.059,618 0.012,619 0.008,620 0.107,621 0.065,622 0.119,623 0.051,624 0.101,625 -0.095,626 -0.05,627 -0.097,628 -0.071,629 -0.045,630 -0.081,631 -0.081,632 -0.177,633 -0.157,634 -0.19,635 -0.095,636 -0.184,637 0.002,638 -0.108,639 -0.047,640 -0.087,641 -0.036,642 -0.078,643 -0.16,644 -0.035,645 -0.107,646 -0.021,647 -0.156,648 -0.053,649 0.153,650 0.13,651 0.138,652 0.108,653 0.168,654 0.127,655 -0.011,656 -0.022,657 0.098,658 0.021,659 0.024,660 0.065,661 1.76,662 5.631,663 0.692,664 24.533,665 0.994,666 1.116,667 3.001,668 9.006,669 0.678,670 3.367,671 3.664,672 3.912,673 4.111,674 4.304,675 4.263,676 4.357,677 4.317,678 4.357,679 4.382,680 6.695,681 0.64,682 346.46,683 3.367,684 4.89,685 5.727,686 6.586,687 7.438,688 8.3,689 9.157,690 10.021,691 10.881,692 11.745,693 4.2,700 1,703 1,709 11,710 1,714 6,716 18,723 1,733 1,735 48,737 19,738 2,739 28,741 50,742 22,743 17,744 5,745 7,746 1,748 3,749 3,754 2,760 1,762 18,763 4,767 1,772 1,776 1,780 1,783 22,784 4,785 1,786 4,792 2,797 1,798 2,809 1,816 3,843 3,847 3,851 26,860 1,861 1,863 1,874 4.2,877 1,879 1,881 13.667,882 9.533,883 5.861,884 2.772,886 3.04,887 1.435,888 0.967,889 5.573,890 10.023,891 3.664,892 4.241,893 4.806,894 5.336,895 5.86,896 5.964,897 6.338,898 6.511,899 6.795,900 7.076,901 0.875,902 40,903 9.578,905 3.941,906 7.692,907 18.31,909 14.547,911 2.192,912 57,915 1,916 247.193,917 157.79,918 34.796,920 36.145,923 157.79,924 283.338,925 34.796,926 28.533,927 18.011,928 85.286,929 70.177,930 50.266,932 223.651,934 247.193,935 192.587,936 36.145,939 211.88,940 71.458,943 53.756,944 122.045,945 16.786,947 247.193,948 70.941,949 157.79,952 247.193,953 25.876,954 131.915,955 18.011,956 52.93,957 247.193,958 70.941,959 157.79,961 0.575,962 0.342,963 0.18,964 0.097,965 17,966 8,967 0.1,968 5,970 1,971 3.805,972 209.098,974 18,975 118.211,981 18,982 8.049,983 4.251,985 70.941,986 20.948,987 4.047,991 5.677,993 18.011,994 475.925,995 38,1000 12.631,1004 -0.093,1007 47.694,1008 53.567,1009 0.253,1010 0.595,1011 0.811,1012 0.909,1013 0.917,1014 0.917,1015 4.871,1016 1.266,1017 5.7,1018 3.512,1019 4.344,1020 4.927,1021 1.661,1022 6.482,1023 4.308,1024 6.07,1025 1.08,1026 7.246,1027 2.864,1028 3.892,1029 4.605,1031 7.334,1032 3.865,1033 7.362,1034 1,1035 8.893,1036 2.584,1037 5.911,1038 7.081,1039 1.594,1040 10.407,1041 5.855,1042 8.69,1043 0.884,1044 10.598,1045 2.229,1046 6.275,1047 7.552,1049 12.067,1050 6.231,1051 10.047,1052 0.427,1053 12.339,1054 2.136,1055 7.755,1056 9.497,1057 1.614,1058 14.643,1059 7.69,1060 11.426,1061 -0.091,1062 14.105,1063 0.621,1064 8.494,1065 10.36,1067 16.637,1068 8.44,1069 12.821,1070 -0.489,1071 15.889,1072 -0.217,1073 9.748,1074 12.051,1075 1.674,1076 19.03,1077 9.68,1078 3.049,1079 -0.657,1080 17.685,1081 -1.201,1082 10.667,1083 13.131,1085 21.174,1086 10.606,1087 2.878,1088 10.033,1089 19.49,1090 -1.456,1091 11.823,1092 14.686,1093 1.758,1094 23.496,1095 11.753,1096 2.651,1097 8.99,1098 21.302,1099 4.094,1100 12.829,1101 15.892,1103 25.71,1104 12.762,1105 2.293,1106 8.326,1107 23.121,1108 3.725,1109 13.944,1110 17.373,1111 1.859,1112 28.006,1113 13.872,1114 2.087,1115 6.564,1116 24.944,1117 3.506,1118 14.994,1119 18.654,1121 30.256,1122 14.923,1123 1.537,1124 5.782,1125 26.771,1126 2.97,1127 16.093,1128 20.094,1129 1.973,1130 32.544,1131 16.019,1132 1.478,1133 4.067,1134 28.601,1135 2.75,1136 17.164,1137 21.421,1139 34.812,1140 17.09,1141 7989,1142 12872,1143 18.493,1144 32.534,1145 41.725,1146 42.536,1147 42.736,1148 41.158,1149 41.264,1150 55.358,1151 4.827,1152 115.413,1153 40.416,1154 5.289,1155 5.59,1156 6.276,1157 5.084,1158 5.049,1159 7.094,1160 2.162,1161 16.831,1162 5.048,1163 12.858,1164 1.49,1165 1.519,1166 1.526,1167 1.47,1168 1.474,1169 1.977,1170 0.172,1171 4.122,1172 1.443,1173 4.03,1174 4.055,1175 3.981,1176 3.97,1177 7.429,1178 3.969,1179 3.927,1180 3.953,1181 3.867,1182 3.858,1183 4.928,1184 3.856,1185 3.752,1186 3.79,1187 3.693,1188 3.645,1189 4.863,1190 3.651,1191 3.506,1192 3.566,1193 3.401,1194 3.32,1195 4.64,1196 3.327,1197 3.258,1198 3.315,1199 3.124,1200 3.078,1201 4.405,1202 3.074,1203 3.202,1204 3.279,1205 3.002,1206 2.954,1207 4.114,1208 2.957,1209 3.069,1210 3.132,1211 2.899,1212 2.896,1213 3.882,1214 2.894,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.795,1220 2.715,1221 0.158,1222 0.128,1223 0.231,1224 0.145,1225 0.109,1226 4.413,1227 0.146,1228 3.59,1229 0.039,1230 6.474,1231 0.358,1232 4.049,1233 0.109,1234 3.049,1235 4.094,1236 1.081,1237 10.033,1238 3.048,1239 1.994,1240 1.974,1241 2.084,1242 2.073,1243 1.228,1244 2.077,1245 1.915,1246 1.891,1247 2.031,1248 2.012,1249 1.187,1250 2.019,1251 1.725,1252 1.69,1253 1.85,1254 1.859,1255 0.883,1256 1.858,1257 1.469,1258 1.408,1259 1.725,1260 1.692,1261 0.828,1262 1.702,1263 1.237,1264 1.174,1265 1.564,1266 1.496,1267 0.616,1268 1.518,1269 1.182,1270 1.104,1271 1.551,1272 1.443,1273 0.57,1274 1.482,1275 1.034,1276 0.985,1277 1.248,1278 1.281,1279 0.273,1280 1.281,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.043,1289 5.342,1291 6.845,1293 8.432,1295 10.062,1297 5.61,1305 3.046,1306 5.248,1308 -0.113,1314 30.74,1315 67.863,1316 159.521,1317 217.284,1318 243.814,1319 245.814,1320 245.814,1321 42.589,1322 6.984,1323 51.22,1324 51.22,1325 18,1326 12.293,1327 4.322,1328 3.459,1329 44.532,1330 105,1331 98,1332 0.207,1333 191.929,1334 332.56,1335 460.066,1336 9716,1338 18.518,1339 0.712,1340 0.584,1341 18.518,1342 15.192,1343 12.58,1344 0.449,1345 0.305,1346 8.45,1347 12.211,1348 8.114,1349 6.831,1350 12.58,1351 8.541,1352 11.004,1353 0.29,1354 0.164,1355 11.004,1356 6.237,1357 9.285,1358 0.189,1359 0.09,1360 9.285,1361 4.421,1362 7.432,1363 0.124,1364 0.049,1365 7.432,1366 2.934,1367 5.858,1368 0.08,1369 0.026,1370 5.858,1371 1.911,1372 0.33,1373 78.079,1374 0.233,1375 25.397,1376 0.556,1377 132,1378 365.449,1379 140.534,1380 357.891,1381 490.2,1382 336,1383 153,1384 356.266,1385 160.982,1386 367.785,1387 528.72,1388 344,1389 5.1}
{0 CHEMBL1969102,1 1.624,2 13.344,3 3.994,4 15.949,5 129.634,6 8.472,7 0.75,8 4.075,9 4.193,10 3.791,11 3.705,12 5.266,13 3.675,14 4.532,15 4.671,16 4.156,17 4.107,18 5.707,19 4.05,20 4.732,21 4.899,22 4.184,23 4.211,24 5.827,25 4.129,26 4.824,27 5.017,28 4.278,29 4.228,30 5.94,31 4.132,32 4.837,33 5.037,34 4.16,35 4.157,36 5.977,37 4.056,38 4.694,39 4.905,40 3.94,41 3.991,42 5.821,43 3.912,44 4.589,45 4.801,46 3.767,47 3.888,48 5.7,49 3.802,50 4.559,51 4.795,52 3.698,53 3.856,54 5.561,55 3.739,56 0.084,57 0.818,58 8.95,59 4.226,60 11.183,61 4.922,62 0.224,63 1.262,64 16.498,65 7.474,66 22.648,67 8.992,68 0.179,69 1.486,70 20.815,71 9.164,72 27.03,73 10.953,74 0.164,75 1.63,76 27.589,77 10.965,78 29.491,79 13.446,80 0.394,81 1.667,82 33.397,83 11.175,84 50.05,85 12.42,86 0.24,87 1.388,88 25.364,89 9.278,90 40.883,91 11.158,92 0.316,93 1.255,94 19.903,95 7.423,96 45.377,97 9.326,98 0.195,99 1.183,100 21.485,101 8.588,102 27.768,103 11.323,104 10,105 51,106 0.264,107 0.623,108 0.786,109 0.861,110 0.876,111 0.882,112 3.502,113 0.905,114 -4.42,115 -4.35,116 -4.1,119 46.2,120 1,142 8,143 6,144 2,145 2,147 1,151 2,152 1,159 1,163 1,164 1,165 1,168 1,172 12,175 3,177 1,178 3,179 1,180 6,183 17,185 1,188 3,193 6,196 13,198 1,200 6,205 10,208 7,210 3,212 1,213 8,216 1,218 10,221 5,223 3,225 6,230 7,233 8,235 2,238 2,240 1,241 1,242 1,243 3,245 1,246 10,250 3,253 1,254 1,255 4,257 1,258 10,264 3,269 4,272 8,276 1776,277 21.878,278 21.878,279 21.878,280 21.878,281 21.878,282 18.533,283 17.311,284 12.867,285 22.275,286 17.803,287 17.803,288 17.803,289 17.803,290 17.803,291 12.827,292 24.218,293 6.133,294 18.437,295 4.077,296 1.873,297 0.875,298 0.414,299 0.322,300 0.284,301 4.21,305 1,306 1,307 950,308 3.162,311 154.173,312 308.79,315 137.76,319 2.156,320 22.284,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 68,332 427,333 4.746,334 3.563,335 7.012,336 4.28,337 3.313,338 4.724,339 1.656,340 11.976,341 3.204,342 4.203,343 3.325,344 6.338,345 3.827,346 2.837,347 3.819,348 0.247,349 9.592,350 2.807,351 4.081,352 2.833,353 5.758,354 3.702,355 2.726,356 3.664,358 7.865,359 2.656,360 3.97,361 2.739,362 5.614,363 3.55,364 2.571,365 3.555,367 7.63,368 2.514,369 3.71,370 2.58,371 5.388,372 3.329,373 2.352,374 3.068,376 7.041,377 2.289,378 3.469,379 2.308,380 5.09,381 3.073,382 2.094,383 2.839,385 5.719,386 2.043,387 3.436,388 2.136,389 4.902,390 2.903,391 1.992,392 2.761,394 5.699,395 1.812,396 3.191,397 2.042,398 4.583,399 2.755,400 1.767,401 2.456,403 4.73,404 1.739,405 3.09,406 1.694,407 4.466,408 2.596,409 1.631,410 2.292,412 4.382,413 1.556,414 2.659,415 1.24,416 4.089,417 2.181,418 1.184,419 1.731,421 3.101,422 1.179,423 2.579,424 1.146,425 3.65,426 2.07,427 1.107,428 1.612,430 2.586,431 1.056,432 2.5,433 1,434 3.479,435 2,436 1,437 1.5,439 2.4,440 1,441 2.477,442 1,443 3.414,444 1.924,445 1,446 1.466,448 2.275,449 0.915,450 2.173,451 0.777,452 3.264,453 1.586,454 0.721,455 1.029,457 1.794,458 0.608,459 2.118,460 0.624,461 3,462 1.547,463 0.618,464 0.927,466 1.372,467 0.572,468 15.567,469 0.486,470 0.763,471 0.024,472 47.5,473 1.484,474 27,475 0.844,476 20.5,477 0.641,478 23.525,479 0.735,480 31.833,481 0.612,482 35.616,483 1.113,484 9.354,485 0.292,486 6.227,487 0.195,488 0.079,490 0.353,496 0.871,497 0.946,498 0.724,499 0.745,500 0.755,501 0.735,502 0.565,503 0.929,504 0.837,505 0.889,506 0.516,507 0.859,508 1.046,509 1.039,510 0.952,511 0.965,512 1.008,513 1.028,514 0.809,515 1.213,516 0.934,517 1.128,518 0.77,519 1.01,520 1.416,521 1.075,522 1.438,523 1.248,524 1.469,525 1.056,526 1.261,527 1.134,528 1.055,529 1.052,530 1.321,531 0.994,532 1.3,533 0.905,534 0.954,535 0.89,536 1.5,537 1.057,538 0.627,539 0.915,540 0.84,541 0.969,542 0.608,543 1.018,544 6,545 0.129,546 3.333,547 2.181,548 1.739,549 1.143,550 0.676,551 0.383,552 0.226,553 0.248,554 16136,555 44034,556 2.154,557 38.5,558 3,559 8,560 2,561 2,562 5,567 1.74,568 2.043,569 3.682,570 2.345,577 84.435,578 1.624,579 3.828,580 4.825,581 5.287,582 5.378,583 5.417,584 3.114,585 4.601,586 4.969,587 3.893,588 1930.7,589 8.667,590 28914.8,592 1,595 296.423,596 1.317,597 4.943,598 0.167,599 0.006,600 0.065,601 0.044,602 0.034,603 0.025,604 0.017,605 0.012,606 0.007,607 0.009,608 0.386,610 0.88,611 0.476,612 170.204,613 -0.076,614 0.145,615 0.036,616 0.134,617 -0.13,618 0.096,619 0.212,620 0.115,621 0.03,622 0.062,623 0.124,624 0.034,625 -0.167,626 -0.039,627 -0.079,628 -0.022,629 -0.15,630 -0.103,631 0.056,632 -0.235,633 0.136,634 -0.072,635 0.103,636 -0.014,637 -0.15,638 -0.039,639 -0.175,640 -0.117,641 -0.109,642 -0.078,643 -0.133,644 -0.161,645 -0.065,646 -0.076,647 -0.048,648 -0.017,649 -0.175,650 0.071,651 -0.149,652 -0.032,653 -0.252,654 -0.119,655 0.122,656 -0.006,657 0.067,658 -0.013,659 0.086,660 0.022,661 1.956,662 5.323,663 0.813,664 37.156,665 1.004,666 1.116,667 3.193,668 10.192,669 0.721,670 3.611,671 3.951,672 4.248,673 4.564,674 4.754,675 4.883,676 5.024,677 5.198,678 5.268,679 5.347,680 7.926,681 0.687,682 440.57,683 3.611,684 5.165,685 6.028,686 6.921,687 7.801,688 8.7,689 9.59,690 10.494,691 11.39,692 12.298,693 11.5,697 1,700 2,701 1,703 2,708 2,709 12,710 2,711 1,713 1,714 8,716 27,727 1,735 52,737 28,738 2,739 36,741 56,742 24,743 22,744 4,745 8,748 5,749 6,753 1,754 1,762 23,763 1,767 1,772 1,776 1,783 20,784 6,785 5,786 8,787 1,792 6,797 0.8,798 1,807 1,809 1,815 2,816 3,819 1,843 4,845 1,847 1,851 32,852 1,860 2,869 1,874 1.9,877 1,881 15.667,882 9.567,883 6.917,884 2.858,886 4.943,887 1.598,888 1.06,889 5.536,890 13.212,891 3.942,892 4.6,893 5.239,894 5.907,895 6.422,896 6.827,897 7.305,898 7.811,899 8.163,900 8.549,901 0.889,902 50,903 11.753,905 5.048,906 7.708,907 22.382,909 18.53,911 2.208,912 70.667,915 1,916 176.567,917 182.068,918 119.03,920 25.145,922 31.278,923 150.79,924 201.711,925 119.03,926 8.825,927 36.022,928 125.404,929 82.136,930 58.772,931 30.892,932 160.76,934 176.567,935 269.821,936 25.145,937 31.278,939 176.567,940 25.145,943 79.605,944 156.768,945 33.449,946 31.278,947 176.567,948 144.175,949 182.068,952 176.567,953 62.642,954 119.427,955 52.685,956 91.491,957 176.567,958 144.175,959 182.068,961 0.584,962 0.342,963 0.195,964 0.1,965 26,966 11,967 0.071,968 4,969 1,970 1.077,971 4.416,972 298.129,973 0.077,974 26,975 154,977 1,981 20.522,982 8.633,983 4.217,984 1.986,985 127.512,986 22.816,987 8.44,988 2.842,990 1.624,991 6.988,993 85.582,994 502.81,995 50.5,1000 12.323,1004 -0.289,1007 52.2,1008 58.026,1009 0.285,1010 0.671,1011 0.846,1012 0.927,1013 0.943,1014 0.95,1015 5.169,1016 1.767,1017 6.014,1018 5.699,1019 4.635,1020 5.288,1021 1.758,1022 6.841,1023 4.569,1024 6.397,1025 1.631,1026 7.576,1027 4.73,1028 4.205,1029 5.085,1030 1.195,1031 7.769,1032 4.138,1033 7.713,1034 1.184,1035 9.239,1036 4.382,1037 6.236,1038 7.552,1039 2.415,1040 10.91,1041 6.118,1042 9.068,1043 1.107,1044 10.965,1045 3.101,1046 6.648,1047 8.224,1048 2.324,1049 12.731,1050 6.519,1051 10.455,1052 1,1053 12.733,1054 2.586,1055 8.131,1056 10.124,1057 3.244,1058 15.402,1059 7.963,1060 11.867,1061 1,1062 14.532,1063 2.4,1064 8.936,1065 11.23,1066 3.407,1067 17.602,1068 8.746,1069 13.3,1070 0.721,1071 16.355,1072 2.275,1073 10.209,1074 12.901,1075 4.156,1076 20.13,1077 9.986,1078 3.313,1079 0.618,1080 18.198,1081 1.794,1082 11.206,1083 14.23,1084 4.464,1085 22.491,1086 10.953,1087 2.837,1088 11.976,1089 20.056,1090 1.372,1091 12.402,1092 15.812,1093 5.111,1094 24.976,1095 12.117,1096 2.726,1097 9.592,1098 21.928,1099 4.724,1100 13.492,1101 17.252,1102 5.504,1103 27.404,1104 13.173,1105 2.571,1106 7.865,1107 23.811,1108 3.819,1109 14.666,1110 18.803,1111 6.091,1112 29.88,1113 14.313,1114 2.352,1115 7.63,1116 25.703,1117 3.664,1118 15.802,1119 20.298,1120 6.531,1121 32.336,1122 15.413,1123 2.094,1124 7.041,1125 27.603,1126 3.555,1127 16.973,1128 21.841,1129 7.083,1130 34.811,1131 16.55,1132 1.992,1133 5.719,1134 29.509,1135 3.068,1136 18.133,1137 23.363,1138 7.551,1139 37.28,1140 17.673,1141 14896,1142 24788,1143 24.561,1144 37.466,1145 54.718,1146 55.003,1147 55.347,1148 53.836,1149 53.971,1150 75.057,1151 3.806,1152 156.714,1153 52.039,1154 5.612,1155 5.563,1156 6.608,1157 5.393,1158 5.313,1159 7.724,1160 2.912,1161 19.529,1162 5.204,1163 13.195,1164 1.52,1165 1.528,1166 1.537,1167 1.495,1168 1.499,1169 2.085,1170 0.106,1171 4.353,1172 1.446,1173 4.136,1174 4.152,1175 4.345,1176 4.135,1177 7.431,1178 4.097,1179 3.937,1180 3.973,1181 3.885,1182 3.861,1183 5.194,1184 3.858,1185 3.885,1186 3.928,1187 3.832,1188 3.802,1189 5.012,1190 3.801,1191 3.767,1192 3.818,1193 3.777,1194 3.624,1195 4.786,1196 3.629,1197 3.44,1198 3.489,1199 3.43,1200 3.192,1201 4.743,1202 3.226,1203 3.267,1204 3.32,1205 3.38,1206 3.125,1207 4.569,1208 3.114,1209 3.144,1210 3.222,1211 3.01,1212 2.986,1213 4.244,1214 2.968,1215 3.029,1216 3.119,1217 2.94,1218 2.858,1219 4.018,1220 2.844,1221 0.132,1222 0.099,1223 0.195,1224 0.119,1225 0.092,1226 4.746,1227 0.131,1228 3.563,1229 0.046,1230 7.012,1231 0.333,1232 4.28,1233 0.089,1234 3.313,1235 4.724,1236 1.656,1237 11.976,1238 3.204,1239 1.966,1240 1.947,1241 2.044,1242 2.048,1243 1.189,1244 2.047,1245 1.913,1246 1.884,1247 2.027,1248 2.007,1249 1.131,1250 2.014,1251 1.845,1252 1.826,1253 1.891,1254 1.931,1255 1.056,1256 1.933,1257 1.47,1258 1.445,1259 1.574,1260 1.674,1261 0.697,1262 1.635,1263 1.323,1264 1.281,1265 1.552,1266 1.621,1267 0.614,1268 1.589,1269 1.261,1270 1.21,1271 1.428,1272 1.527,1273 0.522,1274 1.52,1275 1.218,1276 1.126,1277 1.38,1278 1.396,1279 0.301,1280 1.429,1281 1.136,1282 1.075,1283 1.275,1284 1.297,1285 0.243,1286 1.34,1287 4.29,1289 5.624,1290 3.045,1291 7.144,1292 5.283,1293 8.756,1294 7.322,1295 10.419,1297 1.983,1301 6.248,1305 5.707,1314 35.718,1315 84.435,1316 199.039,1317 250.913,1318 274.913,1319 279.668,1320 281.668,1321 44.708,1322 8.269,1323 108.72,1324 136.96,1325 28,1326 12.817,1327 4.858,1328 3.954,1329 46.025,1330 153,1331 146,1332 0.146,1333 221.856,1334 366.44,1335 533.09,1336 51070,1338 22.079,1339 0.69,1340 0.564,1341 22.432,1342 18.033,1343 15.581,1344 0.433,1345 0.302,1346 9.953,1347 14.681,1348 9.618,1349 8.012,1350 16.035,1351 10.862,1352 14.241,1353 0.279,1354 0.163,1355 14.765,1356 8.303,1357 12.003,1358 0.174,1359 0.09,1360 12.707,1361 6.177,1362 10.674,1363 0.112,1364 0.05,1365 11.642,1366 4.753,1367 8.092,1368 0.07,1369 0.027,1370 8.965,1371 3.073,1372 0.234,1373 101.161,1374 0.202,1375 30.319,1376 0.384,1377 174,1378 474.197,1379 208.349,1380 495.656,1381 690.38,1382 464,1383 207,1384 508.671,1385 239.95,1386 536.336,1387 781.08,1388 504,1389 7.3}
{0 CHEMBL1969126,1 1.737,2 9.25,3 5.24,4 27.458,5 100.768,6 8.823,7 0.781,8 3.925,9 4.03,10 3.641,11 3.467,12 5.161,13 3.493,14 4.438,15 4.583,16 4.061,17 3.865,18 5.673,19 3.891,20 4.629,21 4.813,22 4.079,23 3.949,24 5.859,25 3.96,26 4.681,27 4.883,28 4.082,29 3.962,30 6.029,31 3.96,32 4.621,33 4.793,34 4.027,35 3.979,36 5.796,37 3.962,38 4.661,39 4.834,40 4.062,41 3.958,42 5.925,43 3.942,44 4.655,45 4.856,46 3.969,47 3.85,48 5.887,49 3.836,50 4.522,51 4.747,52 3.805,53 3.649,54 5.803,55 3.64,56 0.151,57 0.829,58 5.913,59 3.661,60 7.903,61 3.904,62 0.381,63 1.336,64 12.599,65 6.016,66 20.72,67 6.806,68 0.524,69 1.596,70 18.055,71 7.254,72 43.043,73 8.013,74 0.764,75 1.735,76 20.231,77 7.308,78 90.578,79 8.449,80 0.487,81 1.506,82 16.244,83 7.254,84 34,85 8.149,86 0.632,87 1.526,88 18.295,89 8.301,90 40.916,91 9.591,92 0.653,93 1.551,94 20.454,95 8.17,96 49.716,97 9.504,98 0.73,99 1.319,100 19.435,101 6.566,102 51.315,103 8.008,104 18,105 48,106 0.295,107 0.656,108 0.774,109 0.844,110 0.851,111 0.851,112 3.376,113 0.824,114 -5.42,115 -5.3,116 -4.96,119 46.5,120 2,127 1,142 6,143 2,144 2,146 2,151 2,152 2,162 1,166 2,172 5,174 4,175 6,183 6,188 13,196 3,200 14,208 5,212 1,213 6,221 9,224 3,225 4,233 7,237 3,238 5,246 2,249 2,250 6,258 2,264 6,272 2,276 1224,277 18.947,278 18.947,279 18.947,280 18.947,281 18.947,282 16.112,283 9.58,284 10.767,285 19.329,286 15.792,287 15.792,288 15.792,289 15.792,290 15.792,291 11.431,292 6.987,293 5.082,294 16.484,295 3.69,296 1.562,297 0.861,298 0.454,299 0.407,300 0.407,301 4.083,305 1,306 1,307 575,308 2.915,311 169.927,312 131.709,314 93.34,315 94.582,319 1.357,320 35.303,323 0.75,324 1,325 1,326 0.4,328 1,329 1,330 0.74,331 62.5,332 259,333 4.761,334 3.395,335 7.053,336 4.311,337 3.353,338 4.708,340 12.173,341 3.216,342 4.553,343 3.199,344 6.668,345 4.08,346 3.122,347 4.486,349 10.709,350 2.989,351 4.231,352 3.082,353 6.284,354 3.777,355 2.823,356 3.916,358 9.333,359 2.683,360 3.827,361 2.689,362 5.778,363 3.423,364 2.452,365 3.324,367 7.784,368 2.374,369 3.593,370 2.498,371 5.512,372 3.206,373 2.251,374 2.964,376 6.82,377 2.147,378 3.481,379 2.27,380 5.208,381 3.097,382 2.144,383 2.802,385 6.304,386 2.026,387 3.106,388 2.052,389 4.772,390 2.635,391 1.708,392 2.347,394 4.873,395 1.566,396 2.954,397 1.466,398 4.606,399 2.419,400 1.461,401 2.177,403 4.433,404 1.401,405 2.81,406 1.42,407 4.347,408 2.384,409 1.414,410 1.926,412 3.806,413 1.362,414 2.748,415 1.364,416 4.033,417 2.254,418 1.283,419 1.858,421 3.268,422 1.239,423 2.469,424 1.06,425 3.676,426 2.055,427 1.059,428 1.457,430 2.601,431 1.055,432 2.438,433 0.987,434 3.446,435 1.93,436 0.957,437 1.409,439 2.258,440 0.928,441 1.966,442 0.573,443 3.324,444 1.528,445 0.556,446 0.769,448 1.388,449 0.539,450 1.674,451 0.378,452 3.142,453 1.184,454 0.222,455 0.315,457 0.619,458 0.213,459 1.285,460 0.235,461 2.742,462 0.868,463 -0.047,464 -0.061,466 -0.116,467 -0.042,468 12.905,469 0.461,470 0.819,471 0.029,472 39,473 1.393,474 20,475 0.714,476 19,477 0.679,478 21.849,479 0.78,480 29.095,481 0.677,482 30.124,483 1.076,484 7.757,485 0.277,486 5.768,487 0.206,488 0.122,490 0.449,494 2,496 0.591,497 0.986,498 0.584,499 1.012,500 0.52,501 0.861,502 0.663,503 0.993,504 0.615,505 0.914,506 0.54,507 0.797,508 1.042,509 1.085,510 0.905,511 0.915,512 0.941,513 0.862,514 0.847,515 0.846,516 0.92,517 0.808,518 0.736,519 0.84,520 0.789,521 0.85,522 1.006,523 1.029,524 0.688,525 1.062,526 0.719,527 0.917,528 0.881,529 1.123,530 0.6,531 1.093,532 0.994,533 1.088,534 0.973,535 1.113,536 1.02,537 1.073,538 0.908,539 0.983,540 0.941,541 0.921,542 0.926,543 0.926,544 5.5,545 0.095,546 3.778,547 2.514,548 1.887,549 1.136,550 0.648,551 0.687,552 0.43,553 0.235,554 9067,555 28722,556 2.155,557 34.9,559 7,560 2,564 6,567 1.718,568 2,569 3.185,570 -0.707,577 74.678,578 1.737,579 3.864,580 4.565,581 4.973,582 5.019,583 5.019,584 2.66,585 4.423,586 4.78,587 3.323,588 1255.93,589 8.353,590 15753.7,595 233.329,596 1.449,597 4.733,598 0.172,599 0.009,600 0.079,601 0.052,602 0.04,603 0.025,604 0.014,605 0.017,606 0.013,607 0.011,608 0.432,609 0.33,610 0.88,611 0.744,612 136.75,613 0.021,614 -0.063,615 0.064,616 -0.077,617 -0.034,618 -0.022,619 0.061,620 -0.089,621 0.161,622 0.019,623 0.05,624 0.088,625 -0.163,626 -0.101,627 -0.012,628 0.035,629 -0.072,630 0.066,631 0.014,632 0.122,633 0.008,634 0.124,635 0.13,636 0.096,637 -0.069,638 0.035,639 -0.176,640 -0.089,641 -0.072,642 -0.139,643 0.126,644 -0.054,645 0.019,646 -0.141,647 0.099,648 -0.121,650 -0.139,651 0.024,652 -0.126,653 -0.057,654 -0.079,655 0.115,656 -0.031,657 0.115,658 0.037,659 0.074,660 0.071,661 2.35,662 6.496,663 0.821,664 22.102,665 1.027,666 1.137,667 4.195,668 17.595,669 0.696,670 3.497,671 3.892,672 4.248,673 4.605,674 4.836,675 5.05,676 5.242,677 5.429,678 5.572,679 5.656,680 5.634,681 0.692,682 379.4,683 3.497,684 5.081,685 5.979,686 6.903,687 7.82,688 8.75,689 9.674,690 10.607,691 11.536,692 12.471,693 11.6,701 2,703 3,708 3,709 8,710 3,712 1,714 6,715 1,716 25,734 2,735 43,737 25,738 2,739 32,741 47,742 20,743 17,744 6,745 6,748 5,749 7,754 2,760 1,762 17,763 3,781 2,783 15,784 6,786 8,789 1,792 5,797 0.6,798 1,802 1,815 3,816 2,818 1,819 1,843 3,847 2,849 2,851 28,863 1,871 1,873 2,874 2.3,879 1,881 14,882 8.702,883 5.917,884 2.661,886 4.983,887 1.609,888 1.05,889 3.813,890 13.161,891 3.818,892 4.551,893 5.276,894 5.991,895 6.547,896 7.069,897 7.618,898 8.126,899 8.597,900 9.034,901 1,902 48,903 10.379,905 4.664,906 7.958,907 19.296,909 16.285,911 2.458,912 68.833,916 176.567,917 133.688,918 53.052,920 9.507,921 29.92,923 133.688,924 186.074,925 82.972,926 17.65,928 77.644,929 49.989,930 46.063,931 58.363,932 153.024,934 176.567,935 186.74,936 39.428,939 135.86,940 80.134,943 29.593,944 107.158,945 49.989,947 206.487,948 62.559,949 133.688,952 176.567,953 38.394,954 98.358,956 89.417,957 176.567,958 92.48,959 133.688,961 0.599,962 0.361,963 0.206,964 0.109,965 27,966 12,967 0.064,968 3,969 2,970 1.174,971 3.838,972 271.031,973 0.174,974 23,975 132.606,981 17.086,982 6.249,983 2.661,984 1.945,985 89.417,986 12.348,987 12.818,989 5.406,991 0.693,992 1.824,994 402.734,995 44.5,1007 44.163,1008 48.872,1009 0.32,1010 0.712,1011 0.841,1012 0.916,1013 0.925,1014 0.925,1015 5.077,1016 1.461,1017 5.999,1018 4.873,1019 4.575,1020 5.239,1022 6.895,1023 4.49,1024 6.339,1025 1.414,1026 7.609,1027 4.433,1028 4.29,1029 5.207,1031 7.945,1032 4.135,1033 7.688,1034 1.283,1035 9.319,1036 3.806,1037 6.248,1038 7.606,1040 11.103,1041 6.08,1042 9.078,1043 1.059,1044 11.088,1045 3.268,1046 6.792,1047 8.435,1049 12.999,1050 6.556,1051 10.502,1052 0.957,1053 12.894,1054 2.601,1055 8.239,1056 10.293,1058 15.683,1059 7.987,1060 11.95,1061 0.556,1062 14.726,1063 2.258,1064 9.143,1065 11.508,1067 17.919,1068 8.829,1069 13.417,1070 0.222,1071 16.579,1072 1.388,1073 10.409,1074 13.159,1076 20.454,1077 10.07,1078 3.353,1079 -0.047,1080 18.446,1081 0.619,1082 11.47,1083 14.548,1085 22.828,1086 11.077,1087 3.122,1088 12.173,1089 20.325,1090 -0.116,1091 12.673,1092 16.12,1094 25.317,1095 12.248,1096 2.823,1097 10.709,1098 22.213,1099 4.708,1100 13.802,1101 17.585,1103 27.751,1104 13.328,1105 2.452,1106 9.333,1107 24.109,1108 4.486,1109 14.987,1110 19.128,1112 30.229,1113 14.476,1114 2.251,1115 7.784,1116 26.011,1117 3.916,1118 16.147,1119 20.628,1121 32.689,1122 15.591,1123 2.144,1124 6.82,1125 27.919,1126 3.324,1127 17.329,1128 22.161,1130 35.168,1131 16.734,1132 1.708,1133 6.304,1134 29.831,1135 2.964,1136 18.504,1137 23.677,1139 37.641,1140 17.866,1141 8484,1142 15295,1143 21.501,1144 29.926,1145 50.284,1146 50.283,1147 51.698,1148 49.788,1149 49.612,1150 68.92,1152 152.738,1153 47.475,1154 5.472,1155 5.395,1156 6.541,1157 5.367,1158 5.353,1159 7.708,1161 19.698,1162 5.216,1163 13.68,1164 1.571,1165 1.571,1166 1.616,1167 1.556,1168 1.55,1169 2.154,1171 4.773,1172 1.484,1173 4.201,1174 4.237,1175 4.184,1176 4.056,1177 8.211,1178 4.08,1179 4.034,1180 4.082,1181 4.011,1182 3.869,1183 8.191,1184 3.893,1185 3.863,1186 3.888,1187 3.831,1188 3.72,1189 5.263,1190 3.748,1191 3.586,1192 3.65,1193 3.456,1194 3.441,1195 5.137,1196 3.433,1197 3.271,1198 3.32,1199 3.199,1200 3.107,1201 4.559,1202 3.125,1203 3.093,1204 3.154,1205 3.026,1206 2.897,1207 4.4,1208 2.919,1209 2.903,1210 3.009,1211 2.839,1212 2.752,1213 4.179,1214 2.75,1215 2.878,1216 2.959,1217 2.762,1218 2.733,1219 4.123,1220 2.734,1221 0.149,1222 0.106,1223 0.22,1224 0.135,1225 0.105,1226 4.761,1227 0.147,1228 3.395,1230 7.053,1231 0.38,1232 4.311,1233 0.1,1234 3.353,1235 4.708,1237 12.173,1238 3.216,1239 1.974,1240 1.951,1241 2.045,1242 2.068,1243 1.232,1244 2.062,1245 1.868,1246 1.846,1247 1.953,1248 1.974,1249 1.099,1250 1.966,1251 1.647,1252 1.577,1253 1.88,1254 1.86,1255 1.017,1256 1.862,1257 1.506,1258 1.453,1259 1.619,1260 1.717,1261 0.733,1262 1.685,1263 1.313,1264 1.298,1265 1.417,1266 1.633,1267 0.469,1268 1.558,1269 1.16,1270 1.131,1271 1.353,1272 1.39,1273 0.37,1274 1.347,1275 1.038,1276 0.957,1277 1.267,1278 1.301,1279 0.276,1280 1.308,1281 0.934,1282 0.805,1283 1.213,1284 1.239,1285 0.266,1286 1.281,1287 4.174,1289 5.549,1290 3.434,1291 7.109,1292 5.82,1293 8.76,1294 7.941,1295 10.464,1297 4.042,1299 27.885,1308 0.133,1314 29.749,1315 74.678,1316 166.168,1317 196.31,1318 213.82,1319 215.82,1320 215.82,1321 49.008,1322 8.178,1323 61.15,1324 61.15,1325 27,1326 12.971,1327 4.7,1328 3.755,1329 37.346,1330 91,1331 102,1332 0.197,1333 176.74,1334 287.79,1335 423.007,1336 40356,1337 4.7,1338 19.413,1339 0.693,1340 0.539,1341 17.673,1342 15.096,1343 13.525,1344 0.423,1345 0.275,1346 8.621,1347 12.795,1348 8.434,1349 6.97,1350 12.72,1351 8.79,1352 12.873,1353 0.268,1354 0.142,1355 11.712,1356 6.82,1357 11.239,1358 0.163,1359 0.068,1360 10.447,1361 4.682,1362 10.156,1363 0.103,1364 0.034,1365 9.44,1366 3.396,1367 7.896,1368 0.063,1369 0.018,1370 7.527,1371 2.241,1372 0.298,1373 86.181,1374 0.216,1375 25.919,1376 0.581,1377 160,1378 592.183,1379 182.527,1380 519.987,1381 714.75,1382 486,1383 197,1384 549.884,1385 220.517,1386 537.624,1387 797.84,1388 507,1389 5.1}
{0 CHEMBL1969151,1 1.528,2 10.808,3 3.703,4 13.714,5 106.784,6 7.57,7 0.552,8 3.995,9 4.134,10 3.586,11 3.521,12 5.011,13 3.493,14 4.562,15 4.765,16 3.978,17 3.941,18 5.535,19 3.885,20 4.827,21 5.063,22 3.985,23 4.096,24 5.685,25 3.993,26 4.921,27 5.195,28 3.962,29 4.08,30 5.759,31 3.948,32 4.867,33 5.156,34 3.853,35 3.988,36 5.692,37 3.844,38 4.687,39 4.957,40 3.92,41 3.862,42 5.603,43 3.747,44 4.487,45 4.708,46 3.775,47 3.771,48 5.495,49 3.649,50 4.419,51 4.648,52 3.567,53 3.689,54 5.315,55 3.554,56 0.026,57 0.78,58 10.312,59 4.055,60 8.135,61 5.848,62 0.28,63 1.249,64 21.087,65 7.024,66 24.576,67 10.328,68 0.219,69 1.488,70 29.247,71 9.504,72 26.583,73 14.141,74 0.374,75 1.505,76 34.302,77 10.451,78 36.055,79 15.891,80 0.344,81 1.369,82 33.953,83 10.142,84 37.868,85 15.223,86 0.352,87 1.138,88 30.856,89 8.208,90 35.813,91 12.17,92 0.401,93 0.953,94 28,95 7.073,96 35.195,97 9.83,98 0.165,99 0.901,100 24.156,101 7.113,102 24.152,103 10.048,104 11,105 41,106 0.259,107 0.608,108 0.756,109 0.793,110 0.821,111 0.821,112 3.304,113 0.97,114 -4.35,115 -4.28,116 -4.04,119 38.8,121 4,124 2,127 2,142 3,143 2,145 1,146 1,147 1,150 1,151 1,161 1,172 5,174 1,175 8,178 3,180 4,183 6,188 5,193 3,196 4,200 7,203 1,205 5,208 2,212 1,213 7,216 1,218 1,221 2,225 1,228 1,229 1,230 2,233 7,237 3,238 2,241 1,243 1,246 9,255 2,258 4,264 5,269 2,272 4,276 986,277 17.602,278 17.602,279 17.602,280 17.602,281 17.602,282 15.759,283 17.604,284 10.328,285 18.161,286 14.343,287 14.343,288 14.343,289 14.343,290 14.343,291 11.563,292 29.192,293 4.929,294 15.305,295 4.087,296 2.023,297 1.148,298 0.929,299 0.766,300 0.766,301 4.002,303 1,304 1,305 1,306 1,307 616,308 2.828,311 53.92,312 233.606,315 102.364,319 1.669,320 17.805,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 55.333,332 281,333 4.6,334 3.205,335 6.714,336 4.141,337 3.167,338 4.535,339 0.8,340 10.928,341 3.088,342 4.152,343 3.008,344 5.936,345 3.767,346 2.819,347 3.816,348 0.4,349 8.412,350 2.684,351 3.787,352 2.951,353 5.864,354 3.632,355 2.709,356 2.961,358 8.185,359 2.49,360 3.583,361 2.656,362 5.509,363 3.329,364 2.382,365 2.784,367 7.271,368 2.252,369 3.407,370 2.337,371 5.154,372 3.037,373 2.125,374 2.593,376 6.28,377 1.928,378 3.11,379 2.061,380 4.711,381 2.727,382 1.853,383 2.319,385 5.163,386 1.555,387 3.046,388 1.547,389 4.502,390 2.513,391 1.547,392 2.208,394 4.233,395 1.489,396 2.912,397 1.483,398 4.005,399 2.376,400 1.438,401 2.092,403 3.445,404 1.322,405 2.524,406 1.406,407 3.776,408 2.178,409 1.233,410 1.537,412 2.924,413 1.161,414 2.248,415 1.036,416 3.564,417 2,418 1.027,419 1.246,421 2.558,422 1,423 2,424 1,425 3.414,426 1.988,427 1,428 1,430 2.275,431 0.981,432 1.973,433 0.496,434 3.094,435 1.428,436 0.489,437 0.721,439 1.179,440 0.458,441 1.217,442 0.263,443 2.938,444 1.007,445 0.069,446 0.075,448 0.187,449 0.065,450 0.95,451 0.196,452 2.556,453 0.422,454 -0.393,455 -0.495,457 -1,458 -0.247,459 0.769,460 -0.432,461 2.273,462 0.407,463 -0.535,464 -0.639,466 -1.432,467 -0.507,468 12.614,469 0.485,470 0.661,471 0.025,472 32.5,473 1.25,474 14.5,475 0.558,476 18,477 0.692,478 23.316,479 0.897,480 28.186,481 0.575,482 21.473,483 0.826,484 5.985,485 0.23,486 6.613,487 0.254,488 0.136,490 0.349,496 0.871,497 1.536,498 0.672,499 1.072,500 0.74,501 0.973,502 0.811,503 1.019,504 0.714,505 0.885,506 0.507,507 0.884,508 0.987,509 1.193,510 0.862,511 1.029,512 0.835,513 1.024,514 0.771,515 1.006,516 0.744,517 0.933,518 0.694,519 0.939,520 0.899,521 0.896,522 0.805,523 0.829,524 0.951,525 0.851,526 1.135,527 0.904,528 1.012,529 0.811,530 1.18,531 0.79,532 1.584,533 0.786,534 1.785,535 1.131,536 1.718,537 1.109,538 1.218,539 1.206,540 1.467,541 1.285,542 1.313,543 1.173,544 5.5,545 0.099,546 2.667,547 1.882,548 1.183,549 0.688,550 0.636,551 0.33,552 0.218,553 0.159,554 8322,555 19585,556 2.124,557 46.9,559 11,560 1,561 1,562 2,564 8,567 1.69,568 2,569 3.399,570 0.289,572 1,577 74.858,578 1.528,579 3.592,580 4.466,581 4.686,582 4.849,583 4.849,584 2.907,585 4.21,586 4.671,587 3.563,588 1157.82,589 8.088,590 14397,592 1,594 1,595 275.121,596 1.37,597 4.637,598 0.19,599 0.006,600 0.065,601 0.047,602 0.033,603 0.021,604 0.02,605 0.012,606 0.009,607 0.008,608 0.411,609 0.17,610 1,611 0.721,612 127.384,613 -0.048,614 -0.276,615 0.037,616 -0.071,618 -0.006,619 0.157,620 0.137,621 0.073,622 0.067,623 0.303,624 0.061,625 -0.102,626 -0.149,627 -0.03,628 -0.063,630 -0.054,631 0.105,632 -0.047,633 0.105,634 0.018,635 0.148,636 0.037,637 0.038,638 0.021,639 0.128,640 0.126,641 0.034,642 0.128,643 0.073,644 0.039,645 0.178,646 0.172,647 0.078,648 0.182,649 -0.077,650 0.235,651 -0.248,652 -0.075,653 -0.183,654 -0.134,655 -0.132,656 -0.245,657 -0.18,658 -0.21,659 -0.131,660 -0.151,661 1.224,662 2.166,663 0.808,664 22.692,665 0.998,666 1.136,667 3.119,668 9.726,669 0.668,670 3.401,671 3.738,672 4.007,673 4.29,674 4.5,675 4.595,676 4.71,677 4.844,678 4.868,679 4.99,680 6.355,681 0.626,682 370.93,683 3.401,684 4.949,685 5.802,686 6.686,687 7.555,688 8.444,689 9.32,690 10.211,691 11.091,692 11.984,693 12.2,696 1,698 1,701 1,703 3,708 2,709 5,710 3,711 1,714 4,716 16,728 1,734 1,735 49,737 16,739 29,741 52,742 19,743 11,748 4,749 5,750 1,757 6,760 6,762 11,763 8,780 1,783 23,784 5,785 2,786 7,787 1,792 6,797 0.75,809 1,810 1,811 1,815 1,816 3,819 1,839 1,843 3,847 2,848 1,851 26,858 4,860 1,863 2,864 1,873 1,881 13,882 9.276,883 5.611,884 3.02,886 3.209,887 1.424,888 0.994,889 5.008,890 10.773,891 3.638,892 4.245,893 4.843,894 5.474,895 5.999,896 6.357,897 6.8,898 7.257,899 7.465,900 7.844,901 1,902 40,903 9.595,905 4.064,906 7.53,907 18.793,909 15.766,911 2.03,912 52.778,914 1,915 1,916 247.193,917 88.656,918 88.277,919 39.149,923 88.656,924 286.342,925 88.277,926 16.793,927 10.138,928 37.476,929 81.854,930 37.473,931 55.891,932 223.651,934 247.193,935 176.933,937 39.149,939 153.024,940 94.169,943 45.467,944 63.099,945 68.367,946 39.149,947 247.193,948 88.277,949 127.805,952 247.193,953 25.34,954 66.441,955 34.796,956 89.505,957 247.193,958 88.277,959 127.805,961 0.586,962 0.337,963 0.184,964 0.099,965 21,966 9,967 0.077,968 4,969 1,970 1.095,971 3.837,972 222.052,973 0.095,974 21,975 116.211,981 17.564,982 7.414,983 3.818,984 1.869,985 71.492,986 9.435,987 13.424,988 3.183,991 2.822,993 34.796,994 463.275,995 37,1007 48.887,1008 55.671,1009 0.272,1010 0.64,1011 0.795,1012 0.835,1013 0.864,1014 0.864,1015 4.883,1016 1.438,1017 5.79,1018 4.233,1019 4.419,1020 4.931,1021 0.824,1022 6.597,1023 4.301,1024 6.08,1025 1.233,1026 7.344,1027 3.445,1028 4.007,1029 4.732,1030 0.325,1031 7.469,1032 3.806,1033 7.382,1034 1.027,1035 8.995,1036 2.924,1037 6.009,1038 7.137,1039 0.413,1040 10.565,1041 5.8,1042 8.718,1043 1,1044 10.703,1045 2.558,1046 6.399,1047 7.806,1048 0.268,1049 12.28,1050 6.136,1051 10.088,1052 0.489,1053 12.449,1054 2.275,1055 7.878,1056 9.694,1057 0.246,1058 14.891,1059 7.6,1060 11.484,1061 0.069,1062 14.22,1063 1.179,1064 8.646,1065 10.796,1066 0.188,1067 16.974,1068 8.333,1069 12.901,1070 -0.393,1071 16.012,1072 0.187,1073 9.909,1074 12.461,1075 0.157,1076 19.424,1077 9.577,1078 3.167,1079 -0.535,1080 17.82,1081 -1,1082 10.86,1083 13.775,1084 0.125,1085 21.674,1086 10.504,1087 2.819,1088 10.928,1089 19.641,1090 -1.432,1091 12.034,1092 15.343,1093 0.102,1094 24.073,1095 11.657,1096 2.709,1097 8.412,1098 21.472,1099 4.535,1100 13.076,1101 16.759,1102 0.082,1103 26.397,1104 12.678,1105 2.382,1106 8.185,1107 23.312,1108 3.816,1109 14.215,1110 18.287,1111 0.067,1112 28.784,1113 13.798,1114 2.125,1115 7.271,1116 25.161,1117 2.961,1118 15.302,1119 19.749,1120 0.054,1121 31.142,1122 14.866,1123 1.853,1124 6.28,1125 27.015,1126 2.784,1127 16.432,1128 21.262,1129 0.043,1130 33.527,1131 15.977,1132 1.547,1133 5.163,1134 28.876,1135 2.593,1136 17.542,1137 22.748,1138 0.035,1139 35.902,1140 17.068,1141 7876,1142 12321,1143 19.592,1144 32.745,1145 44.067,1146 43.855,1147 44.844,1148 43.949,1149 43.716,1150 55.773,1151 2.4,1152 126.075,1153 40.945,1154 5.6,1155 5.205,1156 6.396,1157 5.216,1158 5.167,1159 7.535,1160 1.2,1161 18.109,1162 5.088,1163 11.604,1164 1.52,1165 1.512,1166 1.546,1167 1.515,1168 1.507,1169 1.923,1170 0.083,1171 4.347,1172 1.412,1173 4.125,1174 4.166,1175 4.113,1176 4.015,1177 5.139,1178 4.029,1179 3.917,1180 3.979,1181 3.918,1182 3.778,1183 5.006,1184 3.775,1185 3.761,1186 3.813,1187 3.763,1188 3.611,1189 4.516,1190 3.627,1191 3.484,1192 3.574,1193 3.39,1194 3.263,1195 4.394,1196 3.268,1197 3.362,1198 3.427,1199 3.315,1200 3.209,1201 4.324,1202 3.212,1203 3.111,1204 3.206,1205 3.17,1206 2.941,1207 4.109,1208 2.91,1209 3.093,1210 3.183,1211 2.899,1212 2.883,1213 3.914,1214 2.879,1215 2.874,1216 3.009,1217 2.866,1218 2.666,1219 3.728,1220 2.69,1221 0.159,1222 0.111,1223 0.232,1224 0.143,1225 0.109,1226 4.6,1227 0.156,1228 3.205,1229 0.028,1230 6.714,1231 0.377,1232 4.141,1233 0.106,1234 3.167,1235 4.535,1236 0.8,1237 10.928,1238 3.088,1239 1.913,1240 1.88,1241 2.092,1242 2.067,1243 1.486,1244 2.076,1245 1.877,1246 1.827,1247 1.968,1248 2.005,1249 1.082,1250 1.997,1251 1.723,1252 1.679,1253 1.8,1254 1.912,1255 0.929,1256 1.888,1257 1.465,1258 1.377,1259 1.746,1260 1.723,1261 0.825,1262 1.738,1263 1.369,1264 1.302,1265 1.517,1266 1.605,1267 0.808,1268 1.593,1269 1.153,1270 1.064,1271 1.513,1272 1.376,1273 0.643,1274 1.429,1275 1.081,1276 0.998,1277 1.417,1278 1.325,1279 0.494,1280 1.349,1281 0.991,1282 0.94,1283 1.376,1284 1.239,1285 0.469,1286 1.308,1287 4.078,1289 5.407,1290 2.398,1291 6.927,1292 4.727,1293 8.531,1294 6.843,1295 10.18,1297 4.307,1298 6.277,1303 4.606,1305 3.481,1308 1.06,1309 2.315,1314 30.697,1315 74.858,1316 176.001,1317 218.856,1318 229.611,1319 237.611,1320 237.611,1321 34.587,1322 7.563,1323 69.73,1324 69.73,1325 23,1326 12.514,1327 4.087,1328 3.17,1329 38.112,1330 99,1331 100,1332 0.189,1333 192.058,1334 317.85,1335 460.382,1336 20248,1337 2,1338 18.096,1339 0.696,1340 0.607,1341 18.596,1342 15.793,1343 12.597,1344 0.434,1345 0.323,1346 8.909,1347 11.867,1348 8.63,1349 7.172,1350 12.886,1351 9.378,1352 11.649,1353 0.284,1354 0.183,1355 12.057,1356 7.502,1357 9.572,1358 0.177,1359 0.1,1360 9.808,1361 5.376,1362 8.271,1363 0.115,1364 0.054,1365 8.589,1366 3.891,1367 6.494,1368 0.073,1369 0.03,1370 6.726,1371 2.644,1372 0.296,1373 81.637,1374 0.226,1375 25.124,1376 0.516,1377 140,1378 355.45,1379 167.743,1380 381.635,1381 524.64,1382 358,1383 165,1384 376.666,1385 186.749,1386 394.392,1387 577.7,1388 370,1389 7.1}
{0 CHEMBL1969190,1 1.806,2 12.6,3 3.882,4 15.072,5 107.307,6 8.922,7 0.667,8 3.978,9 4.077,10 3.675,11 3.497,12 5.297,13 3.532,14 4.434,15 4.553,16 4.049,17 3.861,18 5.798,19 3.889,20 4.65,21 4.798,22 4.103,23 3.961,24 5.979,25 3.979,26 4.705,27 4.87,28 4.127,29 3.948,30 6.153,31 3.954,32 4.715,33 4.902,34 3.935,35 3.887,36 6.015,37 3.873,38 4.64,39 4.846,40 3.849,41 3.762,42 6.096,43 3.733,44 4.423,45 4.632,46 3.568,47 3.606,48 5.589,49 3.564,50 4.339,51 4.556,52 3.58,53 3.53,54 5.567,55 3.489,56 0.242,57 0.816,58 6.412,59 3.841,60 19.37,61 3.833,62 0.471,63 1.256,64 11.992,65 6.535,66 33.174,67 6.806,68 0.77,69 1.52,70 17.169,71 7.684,72 80.482,73 7.692,74 0.863,75 1.617,76 19.316,77 8.37,78 82.686,79 9.512,80 0.868,81 1.406,82 21.684,83 8.199,84 96.5,85 8.855,86 0.976,87 1.256,88 21.367,89 7.39,90 124.962,91 8.966,92 0.603,93 1.047,94 16.985,95 6.29,96 66.659,97 7.248,98 0.482,99 1.012,100 15.921,101 6.478,102 37.924,103 8.162,104 27,105 47,106 0.305,107 0.639,108 0.733,109 0.823,110 0.841,111 0.848,112 3.44,113 0.801,114 -4.8,115 -4.71,116 -4.42,119 45.7,124 1,142 9,143 3,144 5,147 1,152 1,159 1,163 1,164 1,165 1,166 1,172 8,175 3,177 1,178 3,179 1,180 5,183 13,185 1,187 1,188 5,190 1,191 1,193 3,196 10,198 1,199 1,200 10,205 8,208 6,210 2,213 7,215 1,216 1,218 6,221 2,223 3,225 8,230 6,233 4,235 2,238 3,243 2,246 4,250 2,253 2,254 1,255 2,257 1,258 4,264 1,267 1,269 1,272 4,276 1344,277 20.127,278 20.127,279 20.127,280 20.127,281 20.127,282 17.316,283 22.454,284 11.663,285 20.58,286 16.236,287 16.236,288 16.236,289 16.236,290 16.236,291 11.926,292 30.042,293 5.468,294 16.891,295 3.717,296 1.735,297 1.175,298 0.642,299 0.538,300 0.495,301 4.134,305 1,306 1,307 818,308 3.317,311 70.502,312 296.692,315 132.843,319 2.053,320 43.9,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 68,332 378,333 4.719,334 3.565,335 6.969,336 4.269,337 3.282,338 4.696,339 1.656,340 11.808,341 3.241,342 4.183,343 3.34,344 6.074,345 3.771,346 2.811,347 3.819,348 0.86,349 8.724,350 2.697,351 4.1,352 3.111,353 5.72,354 3.687,355 2.708,356 3.717,357 0.247,358 8.097,359 2.64,360 3.81,361 2.793,362 5.574,363 3.451,364 2.486,365 3.207,367 7.363,368 2.39,369 3.671,370 2.592,371 5.426,372 3.25,373 2.305,374 3.058,376 6.909,377 2.169,378 3.497,379 2.579,380 5.007,381 3.095,382 2.131,383 2.787,385 6.002,386 2.045,387 3.232,388 2.348,389 4.618,390 2.787,391 1.879,392 2.481,394 4.963,395 1.681,396 3.155,397 2.235,398 4.58,399 2.713,400 1.731,401 2.367,403 4.751,404 1.678,405 2.95,406 1.625,407 4.437,408 2.467,409 1.469,410 2.135,412 4.131,413 1.463,414 2.744,415 1.531,416 4.369,417 2.304,418 1.362,419 1.837,421 3.805,422 1.277,423 2.5,424 1.106,425 3.651,426 2,427 1,428 1.5,430 2.275,431 1,432 2.361,433 1,434 3.414,435 1.903,436 0.934,437 1.305,439 2.24,440 0.9,441 1.718,442 0.794,443 3.051,444 1.399,445 0.49,446 0.581,448 0.893,449 0.441,450 1.317,451 0.651,452 2.922,453 1.023,454 0.082,455 0.096,457 0.202,458 0.077,459 1.187,460 0.338,461 2.57,462 0.779,463 -0.208,464 -0.266,466 -0.515,467 -0.201,468 13.671,469 0.456,470 0.818,471 0.027,472 43.25,473 1.442,474 23.5,475 0.783,476 19.75,477 0.658,478 20.283,479 0.676,480 31.929,481 0.694,482 35.276,483 1.176,484 9.067,485 0.302,486 5.373,487 0.179,488 0.132,490 0.402,494 2,496 0.689,497 0.914,498 0.641,499 0.898,500 0.607,501 0.78,502 0.733,503 0.958,504 0.676,505 0.98,506 0.571,507 0.871,508 1.047,509 1.05,510 1.029,511 1,512 1.07,513 0.994,514 0.709,515 0.922,516 0.845,517 1.144,518 0.572,519 1.09,520 1.092,521 0.919,522 1.181,523 1.022,524 1.108,525 1.099,526 0.71,527 0.724,528 1.011,529 0.959,530 0.583,531 1.059,532 0.948,533 0.834,534 1.137,535 0.96,536 0.837,537 1.066,538 0.616,539 0.926,540 0.782,541 1.063,542 0.598,543 1.029,544 7,545 0.155,546 3.111,547 2.688,548 1.755,549 1.268,550 0.532,551 0.355,552 0.302,553 0.229,554 12802,555 46231,556 2.067,557 34.8,559 12,562 4,567 1.723,568 1.915,569 3.562,570 1.664,572 1,577 83.09,578 1.806,579 3.788,580 4.349,581 4.882,582 4.985,583 5.029,584 3.073,585 3.965,586 4.88,587 3.804,588 1654.75,589 8.482,590 23766.2,592 1,594 1,595 254.084,596 1.475,597 4.828,598 0.212,599 0.007,600 0.066,601 0.056,602 0.037,603 0.033,604 0.016,605 0.013,606 0.011,607 0.01,608 0.461,610 1,611 0.758,612 156.34,613 -0.048,614 0.026,615 0.009,616 0.062,617 -0.087,618 0.07,619 0.02,620 -0.035,621 0.079,622 0.002,623 0.052,624 0.033,625 -0.125,626 -0.028,627 -0.175,628 -0.03,629 -0.166,630 -0.086,631 0.135,632 -0.036,633 0.06,634 -0.171,635 0.191,636 -0.122,637 -0.192,638 -0.06,639 -0.216,640 -0.067,641 -0.171,642 -0.123,643 0.123,644 0.056,645 -0.002,646 -0.019,647 0.224,648 -0.049,649 -0.158,650 -0.011,651 -0.149,652 0.004,653 -0.133,654 -0.039,655 0.108,656 -0.114,657 0.234,658 -0.057,659 0.097,660 0.068,661 2.45,662 5.235,663 0.7,664 30.973,665 1.035,666 1.135,667 3.568,668 12.729,669 0.687,670 3.526,671 3.871,672 4.143,673 4.454,674 4.635,675 4.727,676 4.787,677 4.905,678 4.92,679 5.017,680 7.572,681 0.689,682 410.41,683 3.526,684 5.081,685 5.938,686 6.832,687 7.704,688 8.603,689 9.482,690 10.384,691 11.268,692 12.172,693 8.7,697 1,700 2,703 1,708 2,709 9,710 1,712 1,714 8,716 22,727 1,733 1,734 2,735 46,737 23,738 3,739 33,741 49,742 21,743 19,744 9,745 9,748 4,749 5,753 1,762 20,763 1,767 1,772 1,776 1,780 1,781 2,783 16,784 9,785 4,786 9,791 1,792 4,797 0.75,798 3,815 1,816 3,819 1,843 3,847 1,849 2,851 30,852 1,860 2,861 1,873 2,874 6.5,877 1,879 2,881 15.667,882 8.569,883 6.556,884 2.426,886 4.092,887 1.524,888 1.02,889 5.464,890 11.903,891 3.829,892 4.491,893 5.11,894 5.768,895 6.291,896 6.622,897 7.006,898 7.443,899 7.689,900 8.047,901 1,902 48,903 11.076,905 4.859,906 8.178,907 20.088,909 16.222,911 2.678,912 80.333,915 1,916 141.253,917 145.552,918 88.515,920 45.879,921 29.92,923 145.552,924 187.132,925 118.436,926 10.883,927 36.022,928 118.183,929 44.742,930 58.677,931 41.36,932 141.253,934 141.253,935 234.068,936 75.799,939 171.173,940 45.879,943 36.022,944 178.449,945 19.597,947 171.173,948 134.394,949 145.552,952 141.253,953 49.383,954 96.169,955 36.022,956 128.293,957 141.253,958 164.314,959 145.552,961 0.585,962 0.342,963 0.196,964 0.102,965 23,966 11,967 0.082,968 4,969 1,970 1.095,971 4.144,972 265.989,973 0.095,974 21,975 137.207,981 19.981,982 8.203,983 4.192,984 1.067,985 164.314,986 13.273,987 3.804,989 5.264,991 1.277,993 68.919,994 451.12,995 45,1000 12.096,1004 -0.636,1007 47.6,1008 52.207,1009 0.327,1010 0.686,1011 0.787,1012 0.884,1013 0.903,1014 0.91,1015 5.066,1016 1.731,1017 5.938,1018 4.963,1019 4.554,1020 5.179,1021 1.985,1022 6.765,1023 4.483,1024 6.303,1025 1.469,1026 7.505,1027 4.751,1028 4.205,1029 5.085,1030 1.195,1031 7.689,1032 4.089,1033 7.628,1034 1.362,1035 9.168,1036 4.131,1037 6.163,1038 7.457,1039 2.508,1040 10.808,1041 6.042,1042 8.988,1043 1,1044 10.888,1045 3.805,1046 6.594,1047 8.172,1048 2.324,1049 12.597,1050 6.442,1051 10.378,1052 0.934,1053 12.648,1054 2.275,1055 8.051,1056 10.041,1057 3.275,1058 15.26,1059 7.895,1060 11.791,1061 0.49,1062 14.436,1063 2.24,1064 8.858,1065 11.165,1066 3.407,1067 17.44,1068 8.683,1069 13.222,1070 0.082,1071 16.248,1072 0.893,1073 10.117,1074 12.827,1075 4.165,1076 19.959,1077 9.938,1078 3.282,1079 -0.208,1080 18.08,1081 0.202,1082 11.11,1083 14.162,1084 4.464,1085 22.309,1086 10.918,1087 2.811,1088 11.808,1089 19.929,1090 -0.515,1091 12.296,1092 15.74,1093 5.114,1094 24.786,1095 12.099,1096 2.708,1097 8.724,1098 21.791,1099 4.696,1100 13.379,1101 17.179,1102 5.504,1103 27.205,1104 13.173,1105 2.486,1106 8.097,1107 23.666,1108 3.819,1109 14.544,1110 18.727,1111 6.092,1112 29.672,1113 14.333,1114 2.305,1115 7.363,1116 25.551,1117 3.717,1118 15.672,1119 20.218,1120 6.531,1121 32.12,1122 15.452,1123 2.131,1124 6.909,1125 27.445,1126 3.207,1127 16.835,1128 21.757,1129 7.084,1130 34.586,1131 16.609,1132 1.879,1133 6.002,1134 29.346,1135 3.058,1136 17.986,1137 23.274,1138 7.551,1139 37.045,1140 17.752,1141 12182,1142 23320,1143 21.789,1144 31.591,1145 49.824,1146 50.903,1147 51.865,1148 49.424,1149 49.342,1150 67.173,1151 5.526,1152 144.327,1153 47.399,1154 5.587,1155 5.565,1156 6.51,1157 5.312,1158 5.282,1159 7.696,1160 2.912,1161 19.209,1162 5.241,1163 16.494,1164 1.51,1165 1.543,1166 1.572,1167 1.498,1168 1.495,1169 2.036,1170 0.167,1171 4.374,1172 1.436,1173 4.123,1174 4.134,1175 4.102,1176 4.032,1177 8.211,1178 4.044,1179 3.932,1180 3.962,1181 3.898,1182 3.824,1183 8.191,1184 3.835,1185 3.844,1186 3.871,1187 3.795,1188 3.748,1189 7.431,1190 3.756,1191 3.433,1192 3.476,1193 3.393,1194 3.173,1195 5.364,1196 3.212,1197 3.395,1198 3.443,1199 3.312,1200 3.143,1201 4.862,1202 3.187,1203 3.203,1204 3.268,1205 3.071,1206 2.961,1207 4.75,1208 2.98,1209 2.951,1210 3.016,1211 2.913,1212 2.775,1213 4.605,1214 2.771,1215 2.937,1216 2.985,1217 2.821,1218 2.735,1219 4.543,1220 2.753,1221 0.143,1222 0.108,1223 0.211,1224 0.129,1225 0.099,1226 4.719,1227 0.142,1228 3.565,1229 0.05,1230 6.969,1231 0.358,1232 4.269,1233 0.098,1234 3.282,1235 4.696,1236 1.656,1237 11.808,1238 3.241,1239 2.005,1240 1.991,1241 2.075,1242 2.076,1243 1.233,1244 2.075,1245 1.87,1246 1.845,1247 1.949,1248 1.996,1249 1.031,1250 1.98,1251 1.772,1252 1.751,1253 1.867,1254 1.887,1255 0.975,1256 1.88,1257 1.315,1258 1.272,1259 1.574,1260 1.642,1261 0.579,1262 1.594,1263 1.246,1264 1.197,1265 1.408,1266 1.564,1267 0.347,1268 1.513,1269 1.14,1270 1.056,1271 1.372,1272 1.469,1273 0.302,1274 1.472,1275 0.93,1276 0.904,1277 1.181,1278 1.205,1279 0.218,1280 1.158,1281 0.886,1282 0.821,1283 1.089,1284 1.088,1285 0.18,1286 1.107,1287 4.205,1289 5.541,1290 2.398,1291 7.066,1292 4.727,1293 8.682,1294 6.843,1295 10.349,1297 1.525,1299 26.47,1301 5.949,1305 4.977,1306 5.267,1314 31.684,1315 83.09,1316 174.27,1317 200.045,1318 224.574,1319 229.329,1320 231.329,1321 66.32,1322 7.81,1323 102.41,1324 102.41,1325 23,1326 12.695,1327 4.585,1328 3.7,1329 47.391,1330 142,1331 110,1332 0.167,1333 191.997,1334 332.29,1335 460.233,1336 28469,1337 4.3,1338 21.25,1339 0.708,1340 0.523,1341 19.51,1342 15.701,1343 14.44,1344 0.438,1345 0.267,1346 8.619,1347 13.631,1348 8.473,1349 7.014,1350 13.652,1351 8.808,1352 13.346,1353 0.284,1354 0.136,1355 12.067,1356 6.402,1357 10.846,1358 0.175,1359 0.071,1360 10.295,1361 4.407,1362 9.814,1363 0.115,1364 0.037,1365 8.931,1366 3.103,1367 7.299,1368 0.072,1369 0.019,1370 7.099,1371 1.976,1372 0.269,1373 92.532,1374 0.214,1375 28.679,1376 0.441,1377 160,1378 651.052,1379 183.374,1380 571.359,1381 759.68,1382 530,1383 189,1384 555.224,1385 210.616,1386 545.61,1387 793.1,1388 511,1389 6.2}
{0 CHEMBL1969264,1 1.493,2 9.333,3 3.415,4 11.661,5 91.726,6 7.581,7 0.741,8 3.847,9 3.97,10 3.441,11 3.435,12 4.961,13 3.414,14 4.368,15 4.535,16 3.869,17 3.839,18 5.477,19 3.811,20 4.628,21 4.82,22 3.888,23 3.953,24 5.75,25 3.897,26 4.734,27 5.008,28 3.771,29 3.865,30 5.755,31 3.784,32 4.413,33 4.598,34 3.621,35 3.692,36 5.651,37 3.647,38 4.3,39 4.488,40 3.483,41 3.697,42 5.366,43 3.598,44 4.374,45 4.628,46 3.339,47 3.601,48 5.277,49 3.47,50 4.208,51 4.458,52 3.238,53 3.376,54 5.272,55 3.282,56 0.023,57 0.638,58 8.099,59 3.573,60 5.976,61 4.699,62 0.116,63 1.046,64 15.089,65 6.153,66 17.12,67 8.429,68 0.213,69 1.332,70 20.632,71 7.257,72 31.56,73 9.893,74 0.256,75 1.301,76 27.135,77 9.087,78 44.563,79 12.995,80 0.362,81 0.981,82 17.838,83 5.912,84 57.446,85 7.396,86 0.149,87 0.918,88 14.554,89 6.155,90 22.087,91 8.369,92 0.083,93 0.914,94 17.711,95 7.083,96 17.69,97 10.096,98 0.208,99 0.804,100 15.097,101 5.02,102 25.002,103 7.162,104 20,105 41,106 0.257,107 0.595,108 0.695,109 0.784,110 0.792,111 0.792,112 3.229,113 0.879,114 -3.78,115 -3.75,116 -3.56,119 45.2,120 3,130 1,142 7,143 2,146 3,152 1,158 1,161 1,172 7,175 4,178 2,180 6,183 9,187 1,188 8,191 1,193 4,196 3,200 10,205 3,208 4,212 1,213 3,216 1,218 2,221 9,224 1,228 1,230 1,233 9,238 4,243 1,246 7,250 4,253 1,254 1,255 1,258 3,264 2,269 2,272 3,276 726,277 15.773,278 15.773,279 15.773,280 15.773,281 15.773,282 13.504,283 9.101,284 8.978,285 15.967,286 13.38,287 13.38,288 13.38,289 13.38,290 13.38,291 9.826,292 18.192,293 4.322,294 13.721,295 3.899,296 1.937,297 1.356,298 0.84,299 0.792,300 0.792,301 3.925,304 1,305 1,306 1,307 490,308 3.674,311 34.772,312 129.129,315 128.9,316 67.015,319 1.583,320 20.03,321 1,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 51,332 224,333 4.748,334 3.631,335 6.782,336 4.217,337 3.252,338 4.869,339 1.058,340 11.21,341 3.14,342 4.374,343 3.244,344 6.488,345 4.125,346 3.152,347 4.232,349 10.264,350 3.064,351 4.166,352 3.087,353 6.207,354 3.853,355 2.866,356 3.49,358 9.303,359 2.828,360 3.856,361 2.777,362 5.847,363 3.496,364 2.501,365 3.149,367 8.03,368 2.477,369 3.565,370 2.149,371 5.479,372 3.055,373 2.079,374 2.962,376 6.727,377 2.026,378 3.36,379 1.87,380 4.962,381 2.8,382 1.86,383 2.787,385 5.649,386 1.746,387 2.984,388 1.788,389 4.403,390 2.459,391 1.484,392 2.226,394 4.156,395 1.445,396 2.857,397 1.483,398 4.101,399 2.354,400 1.356,401 2.019,403 3.435,404 1.35,405 2.767,406 1.335,407 3.65,408 2.265,409 1.257,410 1.794,412 2.954,413 1.258,414 2.336,415 0.844,416 3.566,417 1.808,418 0.836,419 1.251,421 2.179,422 0.811,423 1.779,424 0.487,425 3.075,426 1.237,427 0.285,428 0.421,430 0.744,431 0.27,432 1.109,433 0.29,434 2.928,435 0.633,436 -0.328,437 -0.409,439 -0.95,440 -0.313,441 0.999,442 -0.328,443 2.707,444 0.529,445 -0.464,446 -0.666,448 -1.301,449 -0.448,450 0.881,451 -0.487,452 2.361,453 0.455,454 -0.529,455 -0.78,457 -1.414,458 -0.524,459 0.648,460 -0.815,461 2.286,462 0.14,463 -0.851,464 -1,466 -2.234,467 -0.843,468 11.433,469 0.476,470 0.853,471 0.036,472 33.25,473 1.385,474 17.5,475 0.729,476 15.75,477 0.656,478 18.578,479 0.774,480 24.567,481 0.585,482 23.086,483 0.962,484 6.287,485 0.262,486 5.117,487 0.213,488 0.16,489 0.044,490 0.35,496 0.777,497 1.209,498 0.763,499 0.966,500 0.663,501 0.874,502 0.576,503 1.19,504 0.642,505 0.931,506 0.48,507 0.817,508 1.198,509 1.209,510 1.136,511 1.122,512 0.983,513 1.11,514 1.106,515 0.839,516 0.712,517 0.719,518 1.093,519 0.671,520 2.2,521 0.849,522 1.242,523 0.802,524 2.776,525 0.908,526 0.651,527 1.039,528 1.143,529 1.217,530 0.677,531 1.238,532 0.53,533 1.077,534 0.859,535 1.107,536 0.578,537 1.043,538 1.015,539 0.96,540 1.031,541 0.983,542 0.956,543 0.994,544 6.5,545 0.159,546 2.889,547 2.076,548 1.47,549 0.848,550 0.469,551 0.448,552 0.24,553 0.207,554 6268,555 14889,556 2.099,557 42.9,559 7,562 2,564 9,567 1.669,568 1.933,569 3.211,570 0.255,572 1,574 1,577 62.708,578 1.493,579 3.456,580 4.037,581 4.552,582 4.6,583 4.6,584 2.705,585 3.887,586 4.556,587 3.37,588 930.204,589 7.861,590 10588.8,591 1,592 1,594 1,595 226.477,596 1.666,597 4.495,598 0.241,599 0.012,600 0.07,601 0.053,602 0.042,603 0.028,604 0.018,605 0.02,606 0.013,607 0.015,608 0.513,609 0.5,610 1,611 1.195,612 112.824,613 -0.058,614 -0.082,615 0.046,616 0.014,617 -0.113,618 0.039,619 0.222,620 -0.118,621 0.238,622 0.045,623 0.168,624 0.122,625 -0.111,626 -0.114,627 -0.207,628 -0.203,629 -0.092,630 -0.214,631 0.016,632 0.079,633 0.346,634 0.258,635 0.106,636 0.335,637 -0.317,638 0.171,639 -0.235,640 0.134,641 -0.368,642 -0.022,643 0.068,644 -0.023,645 -0.257,646 -0.221,647 -0.012,648 -0.271,649 0.109,650 -0.184,651 0.118,652 -0.082,653 0.069,654 0.002,655 0.091,656 0.039,657 -0.017,658 -0.045,659 0.064,660 -0.041,661 1.773,662 5.364,663 0.708,664 19.458,665 0.998,666 1.122,667 2.554,668 6.523,669 0.686,670 3.332,671 3.738,672 3.989,673 4.331,674 4.615,675 4.762,676 5.004,677 5.226,678 5.318,679 5.407,680 5.645,681 0.654,682 318.41,683 3.332,684 4.92,685 5.784,686 6.706,687 7.591,688 8.515,689 9.412,690 10.335,691 11.24,692 12.164,693 9.5,700 1,701 1,703 2,708 6,709 7,710 2,711 1,714 1,716 20,723 1,735 42,737 21,738 2,739 27,741 45,742 19,743 14,744 5,745 7,746 1,748 4,749 10,754 3,762 15,763 4,764 1,767 1,772 1,776 1,779 1,780 1,783 18,784 4,785 2,786 5,792 4,797 0.25,798 1,806 1,811 1,815 1,816 3,819 2,820 1,843 1,847 3,851 24,860 1,865 1,874 2.4,877 1,881 12.417,882 8.65,883 4.931,884 2.499,886 4.448,887 1.573,888 1.018,889 3.24,890 12.213,891 3.664,892 4.398,893 5.089,894 5.83,895 6.53,896 7.072,897 7.703,898 8.305,899 8.754,900 9.196,901 1,902 39,903 8.868,905 3.87,906 7.691,907 16.96,909 14.301,911 2.191,912 52.583,915 1,916 188.338,917 113.564,918 68.367,920 25.145,923 113.564,924 213.483,925 68.367,926 26.476,927 18.011,928 66.334,929 65.136,930 28.976,931 2.144,932 188.338,934 188.338,935 181.932,936 25.145,939 82.398,940 131.085,943 69.42,944 78.941,945 33.571,947 188.338,948 93.512,949 113.564,952 188.338,953 20.755,954 92.809,955 34.796,956 58.716,957 188.338,958 93.512,959 113.564,961 0.604,962 0.327,963 0.183,964 0.103,965 23,966 10,967 0.044,968 2,969 3,970 1.353,971 3.554,972 207.559,973 0.353,974 17,975 105.284,981 14.949,982 5.201,983 2.723,984 5.109,985 76.727,986 13.402,987 9.372,988 3.286,991 0.589,993 34.796,994 395.414,995 38,1000 12.364,1004 -0.106,1007 41.92,1008 47.109,1009 0.277,1010 0.641,1011 0.749,1012 0.844,1013 0.853,1014 0.853,1015 4.927,1016 1.356,1017 5.838,1018 4.156,1019 4.419,1020 5.085,1021 1.176,1022 6.72,1023 4.368,1024 6.208,1025 1.257,1026 7.444,1027 3.435,1028 4.29,1029 5.147,1031 7.867,1032 4.222,1033 7.568,1034 0.836,1035 9.15,1036 2.954,1037 6.138,1038 7.483,1039 1.255,1040 10.881,1041 6.031,1042 8.963,1043 0.285,1044 10.912,1045 2.179,1046 6.746,1047 8.332,1049 12.758,1050 6.618,1051 10.385,1052 -0.328,1053 12.707,1054 0.744,1055 8.153,1056 10.198,1057 1.338,1058 15.349,1059 7.991,1060 11.828,1061 -0.464,1062 14.523,1063 -0.95,1064 9.072,1065 11.428,1067 17.516,1068 8.882,1069 13.287,1070 -0.529,1071 16.354,1072 -1.301,1073 10.317,1074 13.105,1075 1.422,1076 19.967,1077 10.095,1078 3.252,1079 -0.851,1080 18.196,1081 -1.414,1082 11.37,1083 14.52,1085 22.257,1086 11.116,1087 3.152,1088 11.21,1089 20.046,1090 -2.234,1091 12.554,1092 16.122,1093 1.51,1094 24.661,1095 12.268,1096 2.866,1097 10.264,1098 21.903,1099 4.869,1100 13.665,1101 17.622,1103 27.005,1104 13.346,1105 2.501,1106 9.303,1107 23.765,1108 4.232,1109 14.829,1110 19.199,1111 1.599,1112 29.396,1113 14.477,1114 2.079,1115 8.03,1116 25.632,1117 3.49,1118 15.966,1119 20.737,1121 31.766,1122 15.579,1123 1.86,1124 6.727,1125 27.503,1126 3.149,1127 17.124,1128 22.308,1129 1.69,1130 34.156,1131 16.704,1132 1.484,1133 5.649,1134 29.377,1135 2.962,1136 18.273,1137 23.864,1139 36.539,1140 17.819,1141 5997,1142 9387,1143 17.8,1144 28.807,1145 42.622,1146 43.125,1147 42.31,1148 41.829,1149 41.857,1150 58.399,1151 2.117,1152 129.305,1153 40.828,1154 5.59,1155 5.631,1156 6.463,1157 5.288,1158 5.252,1159 7.869,1160 2.117,1161 18.279,1162 5.14,1163 12.386,1164 1.579,1165 1.597,1166 1.567,1167 1.549,1168 1.55,1169 2.163,1170 0.078,1171 4.789,1172 1.512,1173 4.229,1174 4.264,1175 4.207,1176 4.122,1177 7.429,1178 4.139,1179 3.923,1180 3.95,1181 3.878,1182 3.852,1183 5.184,1184 3.854,1185 3.739,1186 3.802,1187 3.626,1188 3.589,1189 4.746,1190 3.586,1191 3.47,1192 3.515,1193 3.39,1194 3.348,1195 4.408,1196 3.355,1197 3.191,1198 3.23,1199 3.116,1200 2.994,1201 4.322,1202 3.02,1203 3.047,1204 3.112,1205 2.967,1206 2.88,1207 4.159,1208 2.89,1209 2.874,1210 3.009,1211 2.719,1212 2.735,1213 3.875,1214 2.724,1215 2.874,1216 3.009,1217 2.634,1218 2.618,1219 3.64,1220 2.57,1221 0.176,1222 0.134,1223 0.251,1224 0.156,1225 0.12,1226 4.748,1227 0.18,1228 3.631,1229 0.039,1230 6.782,1231 0.415,1232 4.217,1233 0.116,1234 3.252,1235 4.869,1236 1.058,1237 11.21,1238 3.14,1239 2.028,1240 2.004,1241 2.083,1242 2.137,1243 1.2,1244 2.12,1245 1.914,1246 1.887,1247 2.012,1248 2.011,1249 1.154,1250 2.014,1251 1.731,1252 1.669,1253 1.962,1254 1.926,1255 1.1,1256 1.939,1257 1.523,1258 1.483,1259 1.607,1260 1.691,1261 0.685,1262 1.676,1263 1.085,1264 1.047,1265 1.417,1266 1.349,1267 0.469,1268 1.317,1269 1.059,1270 1.008,1271 1.417,1272 1.248,1273 0.469,1274 1.308,1275 0.934,1276 0.804,1277 1.247,1278 1.239,1279 0.305,1280 1.308,1281 0.934,1282 0.804,1283 1.226,1284 1.239,1285 0.244,1286 1.248,1287 4.007,1289 5.389,1290 2.398,1291 6.952,1292 4.844,1293 8.598,1294 7.05,1295 10.289,1297 5.879,1305 2.969,1310 -0.279,1314 27.488,1315 62.708,1316 145.135,1317 169.542,1318 191.193,1319 193.193,1320 193.193,1321 34.913,1322 7.765,1323 70.67,1324 70.67,1325 23,1326 12.674,1327 4.459,1328 3.585,1329 33.905,1330 82,1331 70,1332 0.21,1333 168.278,1334 273.25,1335 402.359,1336 23799,1338 16.897,1339 0.704,1340 0.577,1341 16.897,1342 13.844,1343 11.405,1344 0.422,1345 0.293,1346 7.837,1347 11.091,1348 7.513,1349 6.305,1350 11.405,1351 7.914,1352 11.675,1353 0.285,1354 0.171,1355 11.675,1356 6.999,1357 8.829,1358 0.167,1359 0.073,1360 8.829,1361 3.85,1362 7.994,1363 0.107,1364 0.037,1365 7.994,1366 2.809,1367 6.639,1368 0.066,1369 0.019,1370 6.639,1371 1.941,1372 0.323,1373 70.612,1374 0.237,1375 23.111,1376 0.59,1377 136,1378 351.691,1379 146.818,1380 350.824,1381 493.85,1382 328,1383 162,1384 381.777,1385 173.069,1386 391.744,1387 577.2,1388 368,1389 5.1}
{0 CHEMBL1969301,1 1.475,2 12.941,3 5.538,4 30.671,5 131.385,6 7.04,7 0.432,8 4.245,9 4.375,10 3.764,11 3.794,12 5.313,13 3.758,14 4.814,15 5.007,16 4.119,17 4.203,18 5.798,19 4.135,20 5.117,21 5.353,22 4.223,23 4.347,24 6.107,25 4.263,26 5.173,27 5.411,28 4.207,29 4.321,30 6.27,31 4.242,32 5.111,33 5.346,34 4.188,35 4.287,36 6.2,37 4.215,38 5.105,39 5.337,40 4.152,41 4.322,42 6.215,43 4.227,44 5.105,45 5.346,46 4.09,47 4.319,48 6.074,49 4.208,50 5.056,51 5.301,52 4.026,53 4.279,54 6.027,55 4.156,56 0.031,57 0.961,58 13.892,59 5.914,60 10.042,61 8.197,62 0.303,63 1.575,64 26.506,65 10.293,66 25.297,67 14.632,68 0.265,69 1.96,70 37.685,71 13.219,72 46.588,73 19.311,74 0.59,75 2.011,76 41.173,77 12.769,78 87.411,79 18.626,80 0.427,81 1.909,82 38.302,83 12.209,84 70.697,85 17.701,86 0.523,87 1.92,88 37.712,89 12.772,90 93.998,91 18.42,92 0.389,93 1.909,94 37.582,95 13.052,96 54.216,97 19.046,98 0.441,99 1.815,100 35.754,101 12.963,102 58.155,103 18.809,104 32,105 51,106 0.233,107 0.551,108 0.731,109 0.848,110 0.861,111 0.861,112 3.561,113 0.982,114 -5.11,115 -5.01,116 -4.69,119 41.5,120 1,121 7,122 1,124 1,125 1,142 7,143 2,144 1,146 1,152 1,158 3,162 1,172 15,174 2,175 9,178 3,180 1,183 14,188 13,193 2,196 7,199 3,200 15,205 5,208 3,212 1,213 10,218 3,221 8,224 2,225 9,228 2,230 1,233 12,237 1,238 8,246 14,249 3,250 7,253 1,255 1,258 12,264 7,269 2,272 10,276 2130,277 23.223,278 23.223,279 23.223,280 23.223,281 23.223,282 21.105,283 23.435,284 13.842,285 23.503,286 18.148,287 18.148,288 18.148,289 18.148,290 18.148,291 14.602,292 26.047,293 6.439,294 18.598,295 4.547,296 2.538,297 1.403,298 0.662,299 0.577,300 0.577,301 4.254,306 1,307 937,308 4.243,311 81.622,312 340.801,315 150.222,319 2.01,320 34.657,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 72.5,332 440,333 4.651,334 4.058,335 6.768,336 4.173,337 3.229,338 4.597,339 2.035,340 11.142,341 3.057,342 4.248,343 3.832,344 6.52,345 3.98,346 3.01,347 3.838,348 1.94,349 10.017,350 2.921,351 4.194,352 3.584,353 6.08,354 3.841,355 2.838,356 3.529,357 1.058,358 8.819,359 2.839,360 3.839,361 3.232,362 5.757,363 3.473,364 2.496,365 3.131,366 0.555,367 7.782,368 2.425,369 3.725,370 2.73,371 5.485,372 3.314,373 2.32,374 3.003,376 6.877,377 2.301,378 3.362,379 2.504,380 5.24,381 3.024,382 2.063,383 2.571,385 6.411,386 1.976,387 3.208,388 2.233,389 4.889,390 2.749,391 1.803,392 2.473,394 5.34,395 1.704,396 3.101,397 2.107,398 4.522,399 2.692,400 1.69,401 2.045,403 4.28,404 1.688,405 2.923,406 1.901,407 4.107,408 2.453,409 1.467,410 1.94,412 3.507,413 1.444,414 2.69,415 1.781,416 3.779,417 2.371,418 1.369,419 1.63,421 2.977,422 1.365,423 2.602,424 1.465,425 3.656,426 2.194,427 1.211,428 1.471,430 2.846,431 1.188,432 2.516,433 1.382,434 3.472,435 2.041,436 1.039,437 1.298,439 2.451,440 1.036,441 2.316,442 1.271,443 3.317,444 2,445 1,446 1.058,448 2.136,449 1,450 2.154,451 1.177,452 3.247,453 1.819,454 0.835,455 1,457 1.903,458 0.817,459 2,460 1,461 3.13,462 1.48,463 0.459,464 0.868,466 1.042,467 0.463,468 16.167,469 0.475,470 0.746,471 0.022,472 42.75,473 1.257,474 21,475 0.618,476 21.75,477 0.64,478 32.94,479 0.969,480 36.633,481 0.564,482 34.221,483 1.006,484 7.578,485 0.223,486 8.933,487 0.263,488 0.128,490 0.328,496 0.682,497 1.39,498 0.83,499 1.146,500 0.48,501 1.025,502 0.554,503 1.077,504 0.861,505 1.039,506 0.44,507 0.996,508 0.937,509 1.156,510 0.863,511 1.016,512 0.726,513 0.94,514 1.456,515 1.023,516 1.051,517 0.927,518 1.359,519 0.935,520 1.435,521 1.047,522 0.994,523 0.932,524 1.262,525 0.908,526 1.149,527 0.966,528 1.053,529 0.97,530 0.981,531 0.993,532 1.022,533 1.037,534 1.044,535 1.019,536 0.847,537 1.027,538 0.77,539 0.946,540 1.002,541 1.01,542 0.693,543 1.031,544 6,545 0.209,546 4,547 2.889,548 1.912,549 1.4,550 0.868,551 0.593,552 0.475,553 0.331,554 16386,555 38701,556 2.059,557 47.7,558 15,559 12,562 1,563 1,564 2,567 1.763,568 1.925,569 3.664,570 -0.392,577 95.882,578 1.475,579 3.484,580 4.619,581 5.361,582 5.445,583 5.445,584 3.125,585 4.852,586 5.054,587 3.819,588 2142.5,589 8.886,590 32877.8,595 391.454,596 1.419,597 5.016,598 0.162,599 0.006,600 0.078,601 0.053,602 0.037,603 0.027,604 0.017,605 0.013,606 0.011,607 0.008,608 0.412,609 0.17,610 1,611 1.096,612 182.235,613 -0.007,614 -0.184,615 0.053,616 -0.053,617 0.029,618 -0.004,619 0.223,620 0.038,621 0.069,622 -0.008,623 0.087,624 0.003,625 0.001,626 -0.14,627 0.111,628 -0.024,629 0.058,630 0.046,631 -0.063,632 -0.002,633 -0.024,634 0.012,635 -0.064,637 -0.116,638 -0.023,639 0.023,640 0.02,641 -0.057,642 0.038,643 -0.003,644 0.069,645 -0.06,646 0.002,647 0.054,648 -0.031,649 -0.061,650 -0.02,651 -0.067,652 -0.035,653 -0.047,654 -0.047,655 0.081,656 0.061,657 -0.036,658 -0.014,659 0.016,660 -0.038,661 1.977,662 6.023,663 0.618,664 40.215,665 0.995,666 1.128,667 3.881,668 15.066,669 0.659,670 3.638,671 3.951,672 4.248,673 4.5,674 4.727,675 4.82,676 5.011,677 5.142,678 5.231,679 5.347,680 7.595,681 0.621,682 457.63,683 3.638,684 5.176,685 6.033,686 6.911,687 7.789,688 8.676,689 9.563,690 10.456,691 11.349,692 12.246,693 7.7,700 2,701 1,702 1,703 1,708 2,709 7,710 1,714 4,715 1,716 16,718 1,723 1,735 65,737 19,738 2,739 37,741 68,742 27,743 13,744 5,745 7,746 1,748 4,749 5,754 1,757 5,758 1,760 7,761 1,762 15,763 11,764 1,767 2,772 2,776 2,783 31,784 6,785 1,786 7,789 1,792 5,797 0.75,798 2,815 1,816 3,819 1,830 1,843 3,847 2,851 34,858 8,860 1,863 1,864 1,866 1,870 1,872 1,874 3.1,877 2,881 17.667,882 12.3,883 7.694,884 4.463,886 3.226,887 1.404,888 0.972,889 7.652,890 11.211,891 3.912,892 4.463,893 5.074,894 5.648,895 6.179,896 6.533,897 6.989,898 7.348,899 7.545,900 7.881,901 0.889,902 55,903 12.655,905 5.393,906 7.755,907 24.379,909 20.22,911 2.255,912 76.667,916 353.133,917 144.729,918 70.879,920 50.29,923 144.729,924 403.423,925 70.879,926 17.222,927 40.982,928 66.334,929 93.086,930 46.13,931 2.144,932 353.133,934 353.133,935 215.608,936 50.29,939 329.591,940 73.832,943 86.809,944 112.013,945 16.786,947 353.133,948 121.169,949 144.729,952 353.133,953 44.572,954 88.579,955 34.612,956 98.135,957 353.133,958 121.169,959 144.729,961 0.572,962 0.345,963 0.185,964 0.103,965 23,966 11,967 0.103,968 7,969 1,970 1.095,971 4.407,972 317.535,973 0.095,974 21,975 168.974,981 23.984,982 10.847,983 5.343,984 1.648,985 119.27,986 12.458,987 4.717,991 2.117,992 2.012,993 18.011,994 619.031,995 49,1000 25.921,1004 -0.148,1007 64.65,1008 73.308,1009 0.245,1010 0.579,1011 0.767,1012 0.89,1013 0.904,1014 0.904,1015 5.159,1016 1.69,1017 6.014,1018 5.34,1019 4.635,1020 5.15,1021 2.902,1022 6.836,1023 4.584,1024 6.36,1025 1.467,1026 7.582,1027 4.28,1028 4.205,1029 4.977,1030 1.668,1031 7.761,1032 4.115,1033 7.668,1034 1.369,1035 9.254,1036 3.507,1037 6.236,1038 7.349,1039 4.029,1040 10.884,1041 6.123,1042 9.013,1043 1.211,1044 10.986,1045 2.977,1046 6.661,1047 8.059,1048 3.13,1049 12.643,1050 6.499,1051 10.394,1052 1.039,1053 12.757,1054 2.846,1055 8.141,1056 9.899,1057 5.333,1058 15.278,1059 7.956,1060 11.8,1061 1,1062 14.554,1063 2.451,1064 8.953,1065 11.02,1066 4.539,1067 17.383,1068 8.715,1069 13.226,1070 0.835,1071 16.369,1072 2.136,1073 10.219,1074 12.655,1075 6.695,1076 19.852,1077 9.951,1078 3.229,1079 0.459,1080 18.199,1081 1.903,1082 11.209,1083 13.978,1084 5.912,1085 22.111,1086 10.887,1087 3.01,1088 11.142,1089 20.039,1090 1.042,1091 12.391,1092 15.533,1093 8.078,1094 24.522,1095 12.033,1096 2.838,1097 10.017,1098 21.887,1099 4.597,1100 13.463,1101 16.955,1102 7.263,1103 26.85,1104 13.051,1105 2.496,1106 8.819,1107 23.743,1108 3.838,1109 14.616,1110 18.481,1111 9.472,1112 29.243,1113 14.161,1114 2.32,1115 7.782,1116 25.605,1117 3.529,1118 15.726,1119 19.952,1120 8.602,1121 31.604,1122 15.217,1123 2.063,1124 6.877,1125 27.472,1126 3.131,1127 16.871,1128 21.469,1129 10.869,1130 33.994,1131 16.314,1132 1.803,1133 6.411,1134 29.343,1135 3.003,1136 18,1137 22.965,1138 9.936,1139 36.372,1140 17.389,1141 15800,1142 24533,1143 24.561,1144 42.836,1145 56.505,1146 59.64,1147 57.407,1148 54.883,1149 54.853,1150 70.436,1151 11.178,1152 156.941,1153 53.585,1154 5.651,1155 6.058,1156 6.627,1157 5.224,1158 5.229,1159 7.597,1160 4.069,1161 18.396,1162 5.057,1163 17.536,1164 1.527,1165 1.612,1166 1.552,1167 1.483,1168 1.483,1169 1.904,1170 0.302,1171 4.242,1172 1.448,1173 4.141,1174 4.185,1175 4.111,1176 4.01,1177 7.43,1178 4.029,1179 3.929,1180 3.952,1181 3.884,1182 3.869,1183 7.426,1184 3.869,1185 3.89,1186 3.941,1187 3.779,1188 3.771,1189 6.82,1190 3.762,1191 3.672,1192 3.738,1193 3.549,1194 3.53,1195 5.016,1196 3.519,1197 3.545,1198 3.615,1199 3.407,1200 3.342,1201 4.662,1202 3.359,1203 3.386,1204 3.427,1205 3.328,1206 3.18,1207 4.385,1208 3.209,1209 3.242,1210 3.298,1211 3.152,1212 3.073,1213 4.229,1214 3.084,1215 3.118,1216 3.206,1217 3.028,1218 2.941,1219 4.139,1220 2.946,1221 0.126,1222 0.11,1223 0.183,1224 0.113,1225 0.087,1226 4.651,1227 0.124,1228 4.058,1229 0.055,1230 6.768,1231 0.301,1232 4.173,1233 0.083,1234 3.229,1235 4.597,1236 2.035,1237 11.142,1238 3.057,1239 1.948,1240 1.916,1241 2.103,1242 2.075,1243 1.486,1244 2.078,1245 1.919,1246 1.898,1247 2.03,1248 2.018,1249 1.295,1250 2.028,1251 1.87,1252 1.822,1253 2.008,1254 1.995,1255 1.124,1256 2.002,1257 1.706,1258 1.639,1259 1.942,1260 1.889,1261 1.084,1262 1.907,1263 1.454,1264 1.387,1265 1.67,1266 1.704,1267 0.861,1268 1.697,1269 1.385,1270 1.327,1271 1.602,1272 1.637,1273 0.825,1274 1.627,1275 1.199,1276 1.154,1277 1.513,1278 1.431,1279 0.791,1280 1.433,1281 1.153,1282 1.064,1283 1.473,1284 1.376,1285 0.649,1286 1.429,1287 4.317,1289 5.631,1290 2.398,1291 7.146,1292 4.844,1293 8.749,1294 7.034,1295 10.399,1297 3.95,1303 8.034,1305 2.923,1308 0.093,1309 1.742,1312 9.137,1313 2.063,1314 40.385,1315 95.882,1316 226.458,1317 300.235,1318 348.434,1319 353.944,1320 353.944,1321 75.752,1322 7.985,1323 91.02,1324 91.02,1325 23,1326 12.772,1327 4.322,1328 3.7,1329 56.733,1330 155,1331 154,1332 0.179,1333 249.953,1334 437.06,1335 601.645,1336 33212,1338 24.079,1339 0.708,1340 0.585,1341 24.079,1342 19.881,1343 16.512,1344 0.446,1345 0.327,1346 11.986,1347 16.025,1348 11.683,1349 9.766,1350 16.512,1351 12.109,1352 14.329,1353 0.281,1354 0.176,1355 14.329,1356 8.993,1357 12.58,1358 0.182,1359 0.096,1360 12.58,1361 6.619,1362 10.119,1363 0.114,1364 0.052,1365 10.119,1366 4.619,1367 8.21,1368 0.073,1369 0.029,1370 8.21,1371 3.261,1372 0.281,1373 102.554,1374 0.202,1375 31.464,1376 0.491,1377 176,1378 478.384,1379 190.559,1380 470.223,1381 643,1382 438,1383 208,1384 476.442,1385 223.671,1386 484.121,1387 708.42,1388 456,1389 5.1}
{0 CHEMBL1969372,1 1.693,2 10.519,3 2.793,4 7.799,5 99.839,6 8.282,7 0.733,8 3.919,9 4.036,10 3.579,11 3.424,12 5.119,13 3.445,14 4.416,15 4.583,16 3.911,17 3.771,18 5.607,19 3.782,20 4.566,21 4.766,22 3.944,23 3.874,24 5.722,25 3.859,26 4.577,27 4.784,28 3.917,29 3.873,30 5.679,31 3.85,32 4.577,33 4.782,34 3.956,35 3.916,36 5.682,37 3.891,38 4.624,39 4.815,40 3.987,41 3.954,42 5.802,43 3.918,44 4.67,45 4.899,46 3.832,47 3.86,48 5.77,49 3.804,50 4.539,51 4.788,52 3.602,53 3.635,54 5.673,55 3.564,56 0.085,57 0.778,58 7.245,59 3.463,60 7.545,61 4.157,62 0.375,63 1.194,64 14.881,65 5.492,66 26.289,67 6.586,68 0.468,69 1.368,70 18.794,71 6.646,72 38.795,73 8.383,74 0.38,75 1.344,76 19,77 6.596,78 37.388,79 8.657,80 0.436,81 1.324,82 18.475,83 6.394,84 29.356,85 8.621,86 0.362,87 1.429,88 18.422,89 7.292,90 31.382,91 9.64,92 0.447,93 1.404,94 21.961,95 7.347,96 35.797,97 9.984,98 0.506,99 1.213,100 20.684,101 6.628,102 42.544,103 9.015,104 9,105 41,106 0.289,107 0.643,108 0.819,109 0.867,110 0.867,111 0.867,112 3.341,113 0.84,114 -3.52,115 -3.49,116 -3.33,119 43.2,124 1,125 2,142 5,143 1,144 1,145 3,146 2,150 1,151 1,152 1,161 1,172 4,174 2,175 3,178 2,183 4,187 3,188 4,191 1,196 2,199 1,200 6,205 1,208 1,212 3,213 5,216 1,221 2,224 2,225 6,228 1,230 1,233 2,238 5,243 2,249 2,250 2,253 1,255 2,263 1,264 1,276 1246,277 18.784,278 18.784,279 18.784,280 18.784,281 18.784,282 16.253,283 11,284 11.464,285 19.453,286 14.835,287 14.835,288 14.835,289 14.835,290 14.835,291 11.049,292 14.194,293 5.457,294 15.866,295 3.766,296 1.694,297 0.662,298 0.381,299 0.381,300 0.381,301 4.042,304 1,305 1,306 1,307 615,308 2.828,311 53.51,312 217.014,315 104.661,319 1.501,320 26.359,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 59.5,332 284,333 4.728,334 3.321,335 7.018,336 4.27,337 3.319,338 4.662,339 0.86,340 12.053,341 3.16,342 4.057,343 2.909,344 5.992,345 3.624,346 2.664,347 3.699,348 0.4,349 8.436,350 2.565,351 4.045,352 2.725,353 5.787,354 3.546,355 2.614,356 3.664,358 8.008,359 2.427,360 3.646,361 2.488,362 5.288,363 3.202,364 2.266,365 3.073,367 6.622,368 2.108,369 3.451,370 2.298,371 5.031,372 3.062,373 2.124,374 2.765,376 6.007,377 1.978,378 3.019,379 2.127,380 4.578,381 2.565,382 1.65,383 2.27,385 4.406,386 1.51,387 2.993,388 1.579,389 4.412,390 2.468,391 1.527,392 2.206,394 3.99,395 1.432,396 2.72,397 1.548,398 3.635,399 2.389,400 1.469,401 1.81,403 3.081,404 1.341,405 2.619,406 1.273,407 3.607,408 2.15,409 1.222,410 1.661,412 2.856,413 1.13,414 2.584,415 1.186,416 3.486,417 2.062,418 1.123,419 1.599,421 2.581,422 1.05,423 2.5,424 1.065,425 3.414,426 2,427 1,428 1.5,430 2.275,431 1,432 1.987,433 1,434 3.354,435 1.576,436 0.709,437 0.767,439 1.354,440 0.612,441 1.785,442 0.52,443 2.823,444 1.44,445 0.506,446 0.727,448 1.202,449 0.471,450 1.182,451 0.329,452 2.694,453 0.776,454 -0.142,455 -0.18,457 -0.324,458 -0.127,459 0.966,460 0.205,461 2.353,462 0.693,463 -0.214,464 -0.235,466 -0.376,467 -0.192,468 12.519,469 0.464,470 0.5,471 0.019,472 39.5,473 1.463,474 20.5,475 0.759,476 19,477 0.704,478 17.891,479 0.663,480 28.281,481 0.643,482 29.412,483 1.089,484 8.103,485 0.3,486 5.156,487 0.191,488 0.063,490 0.312,494 1,496 0.764,497 1.319,498 0.667,499 1.133,500 0.588,501 0.926,502 1.063,503 0.976,504 0.86,505 0.846,506 0.719,507 0.818,508 0.996,509 0.962,510 0.919,511 0.837,512 0.987,513 0.85,514 0.924,515 1.056,516 0.918,517 0.932,518 0.864,519 0.913,520 0.649,521 0.781,522 0.861,523 0.788,524 0.468,525 0.836,526 0.603,527 1.015,528 0.909,529 1.141,530 0.511,531 1.106,532 0.871,533 1.04,534 1.053,535 1.096,536 0.815,537 1.103,538 0.919,539 0.962,540 1.085,541 1.056,542 0.907,543 1.095,544 4,545 0.09,546 2.444,547 1.792,548 1.522,549 0.757,550 0.494,551 0.476,552 0.237,553 0.151,554 8297,555 25687,556 2.142,557 38.6,559 12,560 1,561 3,562 1,567 1.707,568 2.051,569 3.303,570 -0.272,571 1,572 1,577 74.508,578 1.693,579 3.765,580 4.798,581 5.079,582 5.079,583 5.079,584 2.834,585 4.607,586 4.717,587 3.448,588 1210.27,589 8.231,590 15129.3,592 1,594 1,595 240.215,596 1.218,597 4.706,598 0.133,599 0.006,600 0.06,601 0.043,602 0.037,603 0.018,604 0.011,605 0.014,606 0.009,607 0.008,608 0.339,609 0.33,610 1,611 1.159,612 131.971,613 -0.066,614 -0.285,615 0.057,616 -0.151,617 -0.045,618 -0.043,619 -0.102,620 0.011,622 0.091,623 -0.018,624 0.065,625 -0.062,626 0.072,627 -0.004,628 0.122,629 -0.059,630 0.082,631 -0.122,632 -0.082,633 -0.011,634 0.022,635 -0.093,636 0.034,637 0.012,638 0.125,639 0.009,640 0.141,641 0.003,642 0.095,643 0.07,644 -0.076,645 -0.052,646 -0.176,647 0.077,648 -0.156,649 -0.057,650 -0.128,651 -0.094,652 -0.143,653 -0.058,654 -0.127,655 0.049,656 -0.023,657 -0.053,658 -0.1,659 0.079,660 -0.102,661 1.961,662 5.356,663 0.778,664 25.213,665 1.017,666 1.137,667 2.287,668 5.232,669 0.682,670 3.434,671 3.738,672 4.043,673 4.369,674 4.663,675 4.796,676 4.97,677 5.147,678 5.198,679 5.204,680 5.97,681 0.668,682 364.42,683 3.434,684 4.963,685 5.82,686 6.706,687 7.593,688 8.496,689 9.399,690 10.311,691 11.222,692 12.139,693 13.6,698 1,701 1,703 4,708 1,709 9,710 4,714 6,716 22,728 1,734 1,735 44,737 22,738 1,739 30,741 47,742 19,743 16,744 2,745 4,748 4,749 5,762 16,763 3,779 1,780 1,781 1,783 17,784 7,785 1,786 8,789 1,792 6,797 0.75,798 1,806 1,810 1,815 1,816 3,819 1,842 1,843 3,847 1,849 1,851 27,858 2,860 1,861 1,873 1,874 2.3,878 1,881 13.167,882 8.31,883 6.056,884 2.472,886 4.276,887 1.559,888 1.012,889 4.946,890 11.92,891 3.738,892 4.373,893 5.035,894 5.716,895 6.346,896 6.759,897 7.28,898 7.801,899 8.16,900 8.499,901 1,902 42,903 9.916,905 4.179,906 7.821,907 18.663,909 14.904,911 2.321,912 62.667,915 1,916 188.338,917 125.343,918 86.439,920 11,921 14.96,923 125.343,924 199.338,925 101.399,926 10.883,927 6.698,928 56.429,929 133.181,930 46.249,931 31.387,932 141.253,934 188.338,935 211.783,936 25.96,939 203.298,941 11,943 44.255,944 82.375,945 85.153,947 203.298,948 97.439,949 125.343,952 188.338,953 30.889,954 95.74,955 18.011,956 93.102,957 188.338,958 112.399,959 125.343,961 0.565,962 0.328,963 0.188,964 0.113,965 20,966 8,967 0.128,968 6,969 1,970 1.095,971 3.869,972 238.646,973 0.095,974 21,975 124.382,981 17.379,982 7.685,983 3.597,984 0.68,985 111.113,986 14.925,987 17.659,991 3.183,993 18.011,994 426.08,995 41,1007 44.752,1008 50.03,1009 0.31,1010 0.69,1011 0.879,1012 0.93,1013 0.93,1014 0.93,1015 4.945,1016 1.469,1017 5.784,1018 3.99,1019 4.419,1020 5.059,1021 1.029,1022 6.605,1023 4.298,1024 6.153,1025 1.222,1026 7.336,1027 3.081,1028 3.892,1029 4.808,1031 7.538,1032 3.714,1033 7.46,1034 1.123,1035 8.997,1036 2.856,1037 5.999,1038 7.327,1039 0.763,1040 10.709,1041 5.775,1042 8.811,1043 1,1044 10.726,1045 2.581,1046 6.365,1047 7.979,1049 12.572,1050 6.089,1051 10.2,1052 0.709,1053 12.502,1054 2.275,1055 7.901,1056 9.921,1057 0.597,1058 15.265,1059 7.584,1060 11.617,1061 0.506,1062 14.311,1063 1.354,1064 8.701,1065 11.017,1067 17.508,1068 8.334,1069 13.058,1070 -0.142,1071 16.147,1072 1.202,1073 10.007,1074 12.713,1075 0.47,1076 20.055,1077 9.599,1078 3.319,1079 -0.214,1080 18.002,1081 -0.324,1082 11.017,1083 14.034,1085 22.45,1086 10.561,1087 2.664,1088 12.053,1089 19.874,1090 -0.376,1091 12.238,1092 15.626,1093 0.367,1094 24.954,1095 11.738,1096 2.614,1097 8.436,1098 21.758,1099 4.662,1100 13.346,1101 17.059,1103 27.406,1104 12.798,1105 2.266,1106 8.008,1107 23.653,1108 3.699,1109 14.54,1110 18.61,1111 0.283,1112 29.898,1113 13.946,1114 2.124,1115 6.622,1116 25.558,1117 3.664,1118 15.694,1119 20.096,1121 32.373,1122 15.052,1123 1.65,1124 6.007,1125 27.469,1126 3.073,1127 16.882,1128 21.634,1129 0.217,1130 34.862,1131 16.194,1132 1.527,1133 4.406,1134 29.387,1135 2.765,1136 18.058,1137 23.146,1139 37.345,1140 17.321,1141 7999,1142 14198,1143 20.572,1144 29.995,1145 44.74,1146 45.114,1147 45.784,1148 44.441,1149 44.383,1150 60.809,1151 2.52,1152 125.742,1153 41.571,1154 5.57,1155 5.321,1156 6.928,1157 5.344,1158 5.319,1159 7.662,1160 1.72,1161 19.398,1162 5.16,1163 10.004,1164 1.491,1165 1.504,1166 1.526,1167 1.481,1168 1.479,1169 2.027,1170 0.084,1171 4.191,1172 1.386,1173 4.151,1174 4.197,1175 4.131,1176 4.005,1177 8.201,1178 4.03,1179 3.852,1180 3.885,1181 3.803,1182 3.756,1183 5.136,1184 3.764,1185 3.798,1186 3.86,1187 3.752,1188 3.604,1189 4.948,1190 3.633,1191 3.555,1192 3.611,1193 3.411,1194 3.331,1195 4.646,1196 3.34,1197 3.27,1198 3.326,1199 3.218,1200 3.102,1201 4.631,1202 3.122,1203 3.158,1204 3.247,1205 2.966,1206 2.882,1207 4.358,1208 2.884,1209 2.9,1210 2.97,1211 2.802,1212 2.753,1213 4.04,1214 2.752,1215 2.854,1216 2.925,1217 2.763,1218 2.735,1219 3.943,1220 2.715,1221 0.158,1222 0.111,1223 0.234,1224 0.142,1225 0.111,1226 4.728,1227 0.155,1228 3.321,1229 0.029,1230 7.018,1231 0.402,1232 4.27,1233 0.105,1234 3.319,1235 4.662,1236 0.86,1237 12.053,1238 3.16,1239 1.925,1240 1.898,1241 2.004,1242 2.075,1243 1.118,1244 2.047,1245 1.851,1246 1.805,1247 1.932,1248 1.987,1249 1.038,1250 1.982,1251 1.717,1252 1.664,1253 1.841,1254 1.926,1255 0.981,1256 1.905,1257 1.508,1258 1.448,1259 1.742,1260 1.757,1261 0.766,1262 1.755,1263 1.266,1264 1.225,1265 1.529,1266 1.477,1267 0.565,1268 1.487,1269 1.13,1270 1.035,1271 1.337,1272 1.402,1273 0.407,1274 1.394,1275 0.886,1276 0.821,1277 1.181,1278 1.091,1279 0.218,1280 1.107,1281 0.878,1282 0.821,1283 1.093,1284 1.062,1285 0.18,1286 1.089,1287 4.111,1289 5.416,1290 2.398,1291 6.929,1292 4.844,1293 8.54,1294 7.066,1295 10.205,1297 1.639,1299 13.356,1303 1.15,1305 3.124,1306 5.041,1314 29.387,1315 74.508,1316 165.67,1317 211.096,1318 223.46,1319 223.46,1320 223.46,1321 37.565,1322 7.644,1323 77.23,1324 77.23,1325 23,1326 12.651,1327 4.524,1328 3.585,1329 39.916,1330 90,1331 132,1332 0.209,1333 180.138,1334 298.68,1335 431.296,1336 21284,1337 2.3,1338 18.64,1339 0.69,1340 0.542,1341 17.769,1342 14.633,1343 13.258,1344 0.442,1345 0.28,1346 8.223,1347 12.551,1348 8.075,1349 6.688,1350 12.865,1351 8.403,1352 11.494,1353 0.28,1354 0.142,1355 10.872,1356 5.805,1357 9.781,1358 0.175,1359 0.072,1360 9.371,1361 4.035,1362 8.407,1363 0.108,1364 0.036,1365 8.256,1366 2.801,1367 7.263,1368 0.069,1369 0.018,1370 7.033,1371 1.927,1372 0.32,1373 84.385,1374 0.22,1375 25.571,1376 0.602,1377 142,1378 498.405,1379 159.951,1380 454.552,1381 621.65,1382 428,1383 168,1384 457.835,1385 186.087,1386 457.921,1387 671.54,1388 430,1389 5.1}
{0 CHEMBL1969483,1 1.591,2 16.478,3 6.403,4 40.993,5 183.669,6 7.885,7 0.635,8 4.494,9 4.613,10 4.149,11 4.064,12 5.584,13 4.039,14 5.022,15 5.191,16 4.519,17 4.451,18 6.075,19 4.412,20 5.232,21 5.427,22 4.528,23 4.59,24 6.238,25 4.519,26 5.306,27 5.527,28 4.547,29 4.618,30 6.296,31 4.536,32 5.368,33 5.586,34 4.638,35 4.668,36 6.41,37 4.589,38 5.381,39 5.602,40 4.64,41 4.671,42 6.411,43 4.583,44 5.316,45 5.517,46 4.606,47 4.622,48 6.373,49 4.542,50 5.33,51 5.559,52 4.588,53 4.624,54 6.312,55 4.548,56 0.021,57 1.249,58 15.584,59 6.941,60 10.881,61 8.744,62 0.412,63 2.054,64 31.88,65 11.36,66 33.793,67 14.63,68 0.462,69 2.41,70 39.495,71 14.646,72 46.099,73 19.087,74 0.294,75 2.558,76 42.86,77 16.372,78 46.484,79 22.434,80 0.531,81 2.725,82 47.584,83 16.861,84 65.61,85 22.496,86 0.562,87 2.742,88 51.633,89 18.337,90 66.541,91 23.602,92 0.571,93 2.606,94 46.892,95 16.147,96 74.978,97 21.083,98 0.545,99 2.667,100 47.98,101 15.761,102 53.608,103 21.218,104 11,105 73,106 0.238,107 0.566,108 0.75,109 0.836,110 0.856,111 0.856,112 3.853,113 0.925,114 -4.4,115 -4.33,116 -4.08,119 43.8,121 1,124 2,125 4,142 13,143 2,144 4,145 1,146 2,150 1,151 2,152 1,158 1,162 1,172 12,174 2,175 9,178 3,180 4,183 13,187 2,188 8,191 1,193 4,196 7,199 1,200 14,203 1,205 5,208 4,212 2,213 13,216 2,218 2,221 8,224 4,225 8,228 2,230 2,233 9,237 2,238 9,241 2,243 5,246 8,249 2,250 11,255 1,258 10,263 4,264 9,267 1,268 1,272 13,276 5242,277 31.739,278 31.739,279 31.739,280 31.739,281 31.739,282 27.81,283 34.83,284 18.93,285 32.691,286 25.785,287 25.785,288 25.785,289 25.785,290 25.785,291 19.786,292 56.661,293 9.074,294 27.326,295 4.731,296 2.536,297 1.305,298 0.728,299 0.594,300 0.594,301 4.575,306 1,307 1686,308 3.937,311 225.847,312 717.426,314 183.736,319 2.696,320 31.751,323 0.75,324 0.5,325 0.67,326 0.7,327 0.5,328 0.83,329 1,330 0.71,331 98,332 758,333 4.74,334 3.636,335 7.022,336 4.273,337 3.331,338 4.681,339 1.987,340 12.066,341 3.154,342 4.334,343 3.334,344 6.441,345 3.961,346 3.002,347 3.971,348 0.86,349 9.925,350 2.874,351 4.195,352 3.143,353 6.17,354 3.852,355 2.904,356 3.777,357 0.8,358 9.189,359 2.758,360 4.036,361 3.119,362 5.97,363 3.613,364 2.666,365 3.639,366 0.8,367 8.329,368 2.611,369 3.957,370 2.819,371 5.799,372 3.58,373 2.609,374 3.475,375 0.4,376 8.102,377 2.453,378 3.834,379 2.611,380 5.497,381 3.424,382 2.49,383 3.266,384 0.324,385 7.402,386 2.321,387 3.632,388 2.542,389 5.492,390 3.313,391 2.366,392 2.898,394 7.249,395 2.216,396 3.52,397 2.484,398 5.074,399 3.153,400 2.165,401 2.743,403 6.027,404 2.134,405 3.397,406 2.285,407 5.028,408 2.976,409 2.049,410 2.681,412 5.887,413 1.886,414 3.037,415 2.11,416 4.633,417 2.701,418 1.751,419 2.199,421 4.703,422 1.659,423 2.964,424 2.011,425 4.542,426 2.646,427 1.71,428 2.115,430 4.389,431 1.589,432 2.904,433 1.561,434 4.374,435 2.42,436 1.446,437 2.075,439 4.137,440 1.408,441 2.862,442 1.55,443 4.347,444 2.343,445 1.423,446 1.975,448 3.848,449 1.327,450 2.817,451 1.458,452 3.695,453 2.326,454 1.348,455 1.925,457 2.98,458 1.282,459 2.657,460 1.4,461 3.566,462 2.211,463 1.259,464 1.716,466 2.812,467 1.194,468 22.2,469 0.483,470 1.003,471 0.022,472 65,473 1.413,474 33.5,475 0.728,476 31.5,477 0.685,478 42.036,479 0.914,480 47.4,481 0.592,482 57.303,483 1.246,484 12.824,485 0.279,486 9.689,487 0.211,488 0.06,490 0.324,496 0.87,497 1.37,498 0.733,499 1.005,500 0.659,501 0.908,502 1.098,503 1.06,504 0.884,505 0.906,506 0.695,507 0.854,508 1.174,509 1.052,510 0.969,511 0.929,512 1.136,513 0.982,514 0.773,515 1.12,516 0.778,517 0.952,518 0.737,519 0.969,520 1.056,521 0.993,522 0.879,523 0.892,524 1.264,525 0.92,526 1.069,527 0.947,528 0.984,529 0.944,530 1.223,531 0.901,532 1.165,533 1.184,534 1.037,535 1.07,536 1.618,537 1.028,538 1.076,539 0.973,540 0.938,541 0.835,542 0.89,543 0.835,544 8,545 0.445,546 4,547 3.257,548 2.295,549 1.476,550 1.166,551 0.745,552 0.802,553 0.426,554 41136,555 101903,556 2.182,557 42.5,559 27,560 2,561 1,562 2,563 2,567 1.836,568 2.091,569 3.957,570 0.105,577 127.256,578 1.591,579 3.786,580 5.017,581 5.594,582 5.728,583 5.728,584 3.463,585 5.219,586 5.49,587 4.152,588 4297.43,589 9.761,590 82158.5,595 505.754,596 1.22,597 5.476,598 0.154,599 0.007,600 0.055,601 0.044,602 0.031,603 0.019,604 0.015,605 0.01,606 0.01,607 0.006,608 0.349,609 0.17,610 0.75,611 0.497,612 270.466,613 -0.034,614 -0.235,615 0.076,616 -0.053,617 -0.046,618 -0.005,619 0.023,620 0.05,621 0.044,622 0.045,623 0.048,624 0.053,625 -0.11,626 -0.006,627 -0.088,628 -0.003,629 -0.12,630 -0.048,631 0.034,632 -0.118,633 0.075,634 -0.033,635 0.107,636 0.003,637 -0.013,638 0.035,639 0.053,640 0.046,641 -0.017,642 0.033,643 0.015,644 0.071,645 0.057,646 0.061,647 0.03,648 0.072,649 -0.015,650 -0.149,651 -0.035,652 -0.083,653 -0.125,654 -0.078,655 -0.084,656 0.084,657 0.04,658 0.111,659 -0.05,660 0.114,661 1.748,662 6.111,663 0.826,664 67.083,665 1,666 1.122,667 3.166,668 10.023,669 0.694,670 3.97,671 4.304,672 4.605,673 4.927,674 5.165,675 5.303,676 5.505,677 5.677,678 5.855,679 5.991,680 9.409,681 0.658,682 630.84,683 3.97,684 5.525,685 6.389,686 7.279,687 8.16,688 9.058,689 9.949,690 10.854,691 11.751,692 12.66,693 10,699 2,700 1,701 2,703 3,708 1,709 16,710 3,713 1,714 10,716 33,728 1,730 2,735 80,737 34,738 3,739 52,741 86,742 35,743 27,744 6,745 12,748 7,749 8,760 1,762 28,763 7,767 1,772 1,776 1,783 34,784 9,785 2,786 11,787 1,789 1,792 8,797 0.857,798 2,810 1,815 2,816 5,818 1,829 1,842 1,843 6,845 1,847 2,851 46,858 5,860 2,861 1,864 2,868 1,874 2.5,877 1,878 1,881 22,882 15.033,883 9.972,884 4.656,886 6.358,887 1.659,888 1.032,889 8.971,890 16.004,891 4.256,892 4.875,893 5.49,894 6.139,895 6.686,896 7.07,897 7.584,898 8.031,899 8.514,900 8.938,901 1,902 74,903 16.997,905 7.26,906 7.583,907 32.875,909 27.233,911 2.083,912 95.833,916 376.675,917 245.208,918 93.913,920 36.145,922 31.278,923 213.931,924 412.82,925 93.913,926 16.793,927 33.941,928 139.888,929 102.977,930 57.505,931 28.198,932 372.64,934 376.675,935 307.844,936 36.145,937 31.278,939 376.675,940 25.145,941 11,943 69.699,944 187.789,945 50.357,946 31.278,947 376.675,948 130.058,949 245.208,952 376.675,953 79.481,954 173.263,955 36.022,956 86.501,957 376.675,958 130.058,959 245.208,961 0.579,962 0.338,963 0.194,964 0.106,965 36,966 15,967 0.105,968 9,969 1,970 1.053,971 5.442,972 507.763,973 0.053,974 38,975 242.084,977 1,981 30.36,982 13.592,983 6.802,984 0.85,985 128.772,986 31.737,987 14.493,990 1.559,991 8.339,993 36.022,994 751.942,995 69.5,1000 13.111,1004 -0.082,1007 80.032,1008 89.723,1009 0.252,1010 0.599,1011 0.794,1012 0.885,1013 0.906,1014 0.906,1015 5.494,1016 2.165,1017 6.365,1018 7.249,1019 4.99,1020 5.565,1021 2.459,1022 7.185,1023 4.885,1024 6.697,1025 2.049,1026 7.92,1027 6.027,1028 4.511,1029 5.301,1030 1.738,1031 8.082,1032 4.359,1033 8.001,1034 1.751,1035 9.576,1036 5.887,1037 6.583,1038 7.773,1039 3.189,1040 11.225,1041 6.383,1042 9.342,1043 1.71,1044 11.295,1045 4.703,1046 6.957,1047 8.384,1048 3.194,1049 13.012,1050 6.702,1051 10.718,1052 1.446,1053 13.057,1054 4.389,1055 8.471,1056 10.298,1057 4.33,1058 15.668,1059 8.175,1060 12.119,1061 1.423,1062 14.848,1063 4.137,1064 9.25,1065 11.346,1066 4.658,1067 17.838,1068 8.894,1069 13.541,1070 1.348,1071 16.662,1072 3.848,1073 10.537,1074 13.024,1075 5.604,1076 20.346,1077 10.14,1078 3.331,1079 1.259,1080 18.494,1081 2.98,1082 11.514,1083 14.301,1084 6.091,1085 22.686,1086 11.058,1087 3.002,1088 12.066,1089 20.341,1090 2.812,1091 12.713,1092 15.878,1093 6.928,1094 25.156,1095 12.212,1096 2.904,1097 9.925,1098 22.2,1099 4.681,1100 13.788,1101 17.276,1102 7.501,1103 27.572,1104 13.228,1105 2.666,1106 9.189,1107 24.069,1108 3.971,1109 14.958,1110 18.814,1111 8.273,1112 30.039,1113 14.349,1114 2.609,1115 8.329,1116 25.947,1117 3.777,1118 16.081,1119 20.277,1120 8.894,1121 32.49,1122 15.415,1123 2.49,1124 8.102,1125 27.833,1126 3.639,1127 17.246,1128 21.804,1129 9.631,1130 34.962,1131 16.528,1132 2.366,1133 7.402,1134 29.726,1135 3.475,1136 18.396,1137 23.301,1138 10.279,1139 37.43,1140 17.621,1141 37538,1142 59350,1143 35.887,1144 55.5,1145 78.677,1146 79.241,1147 79.44,1148 77.859,1149 77.952,1150 103.359,1151 10.342,1152 223.999,1153 73.77,1154 5.74,1155 5.636,1156 6.824,1157 5.417,1158 5.331,1159 7.681,1160 3.497,1161 19.452,1162 5.154,1163 16.538,1164 1.513,1165 1.524,1166 1.528,1167 1.497,1168 1.499,1169 1.988,1170 0.199,1171 4.308,1172 1.419,1173 4.164,1174 4.199,1175 4.359,1176 4.07,1177 7.429,1178 4.06,1179 3.964,1180 4.004,1181 3.944,1182 3.875,1183 5.102,1184 3.87,1185 3.938,1186 3.974,1187 3.89,1188 3.85,1189 4.924,1190 3.852,1191 3.874,1192 3.908,1193 3.827,1194 3.807,1195 4.763,1196 3.797,1197 3.762,1198 3.816,1199 3.759,1200 3.614,1201 4.734,1202 3.617,1203 3.659,1204 3.704,1205 3.552,1206 3.475,1207 4.695,1208 3.484,1209 3.475,1210 3.547,1211 3.416,1212 3.28,1213 4.58,1214 3.294,1215 3.441,1216 3.49,1217 3.365,1218 3.247,1219 4.221,1220 3.249,1221 0.091,1222 0.07,1223 0.135,1224 0.082,1225 0.064,1226 4.74,1227 0.09,1228 3.636,1229 0.038,1230 7.022,1231 0.232,1232 4.273,1233 0.061,1234 3.331,1235 4.681,1236 1.987,1237 12.066,1238 3.154,1239 1.951,1240 1.924,1241 2.051,1242 2.07,1243 1.237,1244 2.061,1245 1.921,1246 1.888,1247 2.033,1248 2.047,1249 1.183,1250 2.045,1251 1.904,1252 1.876,1253 2.011,1254 1.992,1255 1.146,1256 2.003,1257 1.778,1258 1.735,1259 1.875,1260 1.954,1261 1.024,1262 1.935,1263 1.628,1264 1.574,1265 1.831,1266 1.835,1267 0.94,1268 1.837,1269 1.482,1270 1.431,1271 1.719,1272 1.701,1273 0.825,1274 1.707,1275 1.434,1276 1.376,1277 1.592,1278 1.686,1279 0.782,1280 1.663,1281 1.399,1282 1.351,1283 1.575,1284 1.619,1285 0.708,1286 1.603,1287 4.654,1289 5.984,1290 3.045,1291 7.504,1292 5.416,1293 9.112,1294 7.535,1295 10.769,1297 3.928,1303 3.476,1305 6.541,1306 5.519,1309 4.308,1314 52.636,1315 127.256,1316 302.894,1317 401.384,1318 447.49,1319 458.244,1320 458.244,1321 68.165,1322 9.645,1323 99.92,1324 128.16,1325 40,1326 13.178,1327 5.129,1328 4.209,1329 64.169,1330 252,1331 288,1332 0.118,1333 321.388,1334 543.99,1335 775.947,1336 293145,1338 31.459,1339 0.684,1340 0.576,1341 31.813,1342 26.498,1343 22.513,1344 0.433,1345 0.308,1346 15.014,1347 21.219,1348 14.563,1349 12.056,1350 22.967,1351 16.039,1352 20.373,1353 0.279,1354 0.166,1355 20.956,1356 12.115,1357 17.165,1358 0.173,1359 0.087,1360 17.789,1361 8.629,1362 15.309,1363 0.112,1364 0.047,1365 16.017,1366 6.377,1367 12.323,1368 0.071,1369 0.024,1370 12.937,1371 4.228,1372 0.187,1373 145.141,1374 0.167,1375 40.206,1376 0.319,1377 250,1378 680.868,1379 295.556,1380 686.042,1381 960.99,1382 648,1383 297,1384 712.081,1385 339.148,1386 738.697,1387 1085.95,1388 695,1389 6.6}
{0 CHEMBL1969502,1 1.572,2 10.385,3 2.309,4 5.332,5 97.898,6 8.2,7 0.533,8 3.881,9 3.993,10 3.538,11 3.488,12 5.041,13 3.484,14 4.366,15 4.5,16 3.878,17 3.879,18 5.52,19 3.849,20 4.646,21 4.821,22 3.998,23 4.013,24 5.801,25 3.975,26 4.675,27 4.872,28 3.899,29 3.936,30 5.829,31 3.885,32 4.588,33 4.804,34 3.747,35 3.757,36 5.79,37 3.701,38 4.436,39 4.661,40 3.504,41 3.565,42 5.614,43 3.505,44 4.26,45 4.469,46 3.497,47 3.483,48 5.576,49 3.444,50 4.155,51 4.328,52 3.408,53 3.489,54 5.342,55 3.436,56 0.076,57 0.645,58 7.018,59 3.471,60 8.496,61 4.107,62 0.17,63 1.009,64 12.407,65 5.954,66 21.818,67 7.376,68 0.262,69 1.278,70 19.371,71 8.027,72 43.603,73 9.992,74 0.308,75 1.293,76 21.386,77 8.365,78 45.784,79 10.451,80 0.388,81 1.166,82 20.824,83 7.6,84 49.329,85 9.776,86 0.393,87 0.972,88 18.907,89 6.405,90 55.172,91 7.948,92 0.361,93 0.804,94 15.436,95 5.554,96 65.757,97 7.037,98 0.23,99 0.748,100 12.151,101 4.905,102 39.458,103 5.846,104 5,105 44,106 0.27,107 0.651,108 0.8,109 0.872,110 0.884,111 0.884,112 3.305,113 0.855,114 -3.45,115 -3.43,116 -3.27,119 47.6,121 1,122 2,142 7,143 4,144 1,151 1,152 1,155 1,158 2,168 1,172 13,175 3,178 2,180 7,183 14,187 1,188 6,193 7,196 12,200 5,203 1,204 1,205 3,208 7,213 5,216 2,217 2,218 4,221 7,225 3,228 2,230 3,233 5,237 1,238 3,241 1,243 4,246 8,249 1,250 3,255 3,258 9,264 3,269 3,272 7,276 946,277 17.947,278 17.947,279 17.947,280 17.947,281 17.947,282 15.694,283 17.303,284 10.442,285 18.076,286 14.848,287 14.848,288 14.848,289 14.848,290 14.848,291 11.304,292 18.934,293 4.988,294 15.011,295 3.82,296 1.594,297 0.724,298 0.304,299 0.238,300 0.238,301 4.011,304 1,305 1,306 1,307 616,308 2.915,309 41.438,311 44.306,312 130.878,313 66.654,315 80.661,316 93.117,317 103.292,318 113.924,319 1.586,320 26,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 56,332 270,333 4.697,334 3.815,335 6.907,336 4.268,337 3.273,338 4.655,339 1.907,340 11.609,341 3.26,342 4.359,343 3.611,344 6.814,345 4.231,346 3.232,347 3.664,348 0.98,349 11.288,350 3.224,351 3.878,352 3.106,353 5.795,354 3.507,355 2.522,356 3.323,357 0.149,358 7.814,359 2.483,360 3.828,361 3.039,362 5.666,363 3.464,364 2.463,365 3.207,367 7.572,368 2.454,369 3.661,370 2.484,371 5.378,372 3.262,373 2.267,374 3.025,376 6.802,377 2.25,378 3.285,379 2.134,380 4.986,381 2.873,382 1.893,383 2.494,385 5.604,386 1.852,387 3.071,388 2.055,389 4.524,390 2.638,391 1.63,392 2.22,394 4.355,395 1.633,396 3.019,397 1.811,398 4.466,399 2.549,400 1.572,401 2.149,403 4.211,404 1.529,405 2.666,406 1.437,407 3.654,408 2.254,409 1.247,410 1.681,412 2.889,413 1.252,414 2.557,415 1.424,416 3.59,417 2,418 1,419 1.5,421 2.347,422 1,423 2.5,424 1,425 3.247,426 1.954,427 0.991,428 1.484,430 2.136,431 0.949,432 2.101,433 0.832,434 3.239,435 1.53,436 0.537,437 0.806,439 1.359,440 0.529,441 1.29,442 0.613,443 3.062,444 1.029,445 0.049,446 0.056,448 0.141,449 0.048,450 1.132,451 0.413,452 2.832,453 0.881,454 -0.123,455 -0.146,457 -0.329,458 -0.122,459 1.091,460 0.214,461 2.693,462 0.642,463 -0.36,464 -0.461,466 -0.913,467 -0.358,468 12.267,469 0.472,470 0.64,471 0.025,472 36,473 1.385,474 19,475 0.731,476 17,477 0.654,478 18.345,479 0.706,480 26.133,481 0.622,482 25.779,483 0.991,484 7.058,485 0.271,486 5.646,487 0.217,488 0.054,490 0.408,496 0.672,497 0.965,498 0.693,499 0.823,500 0.515,501 0.763,502 0.568,503 1.144,504 0.851,505 1.066,506 0.544,507 1.018,508 0.943,509 1.12,510 0.924,511 1.036,512 0.953,513 0.988,514 1.087,515 1.091,516 1.025,517 1.102,518 1.11,519 1.066,520 1.035,521 1.046,522 1.008,523 1.082,524 1.121,525 1.052,526 1.445,527 0.854,528 1.127,529 0.904,530 1.539,531 0.951,532 1.093,533 0.81,534 0.857,535 0.803,536 1.186,537 0.793,538 1.248,539 0.956,540 1.153,541 1.035,542 1.385,543 1.077,544 4.5,545 0.103,546 2.778,547 2.549,548 1.491,549 0.74,550 0.422,551 0.299,552 0.211,553 0.162,554 8819,555 23173,556 2.216,557 38.1,558 3,559 7,560 1,561 1,562 3,563 1,567 1.689,568 2.108,569 3.329,570 0.936,571 1,572 1,577 66.039,578 1.572,579 3.799,580 4.668,581 5.089,582 5.154,583 5.154,584 2.724,585 4.364,586 4.675,587 3.499,588 1137.32,589 8.088,590 14023.8,591 1,592 1,594 1,595 226.477,596 1.296,597 4.648,598 0.15,599 0.006,600 0.068,601 0.057,602 0.038,603 0.023,604 0.017,605 0.011,606 0.009,607 0.008,608 0.387,609 0.5,610 0.88,611 0.465,612 126.764,613 -0.029,614 0.139,615 0.033,616 0.105,617 -0.024,618 0.086,619 0.108,620 -0.099,621 -0.064,622 -0.114,623 0.04,624 -0.121,625 -0.032,626 -0.126,627 -0.013,628 -0.068,629 -0.051,630 -0.044,631 -0.053,632 -0.116,633 -0.049,634 -0.132,635 -0.054,636 -0.101,637 0.102,638 -0.077,639 0.027,640 -0.115,641 0.037,642 -0.072,643 -0.12,644 0.104,645 -0.046,646 0.066,647 -0.12,648 0.032,649 0.163,650 0.126,651 0.194,652 0.189,653 0.221,654 0.202,655 -0.128,656 0.015,657 -0.215,658 -0.061,659 -0.143,660 -0.137,661 1.95,662 5.616,663 0.846,664 21.03,665 1.009,666 1.117,667 2.218,668 4.918,669 0.702,670 3.434,671 3.807,672 4.111,673 4.431,674 4.654,675 4.804,676 4.956,677 5.1,678 5.215,679 5.303,680 6.191,681 0.683,682 344.4,683 3.434,684 5.004,685 5.894,686 6.808,687 7.716,688 8.637,689 9.552,690 10.475,691 11.394,692 12.317,693 9.5,700 2,701 1,702 1,708 2,709 8,711 1,714 4,716 16,735 42,737 19,738 2,739 30,741 46,742 20,743 14,744 5,745 7,746 2,748 5,749 9,751 1,757 1,758 2,760 1,762 17,763 3,764 2,767 3,772 2,774 1,775 1,776 2,779 1,780 1,783 16,784 5,785 3,786 6,792 4,797 0.6,798 2,811 1,813 1,815 1,816 2,817 1,819 1,820 1,821 1,822 1,829 1,843 3,851 26,858 1,860 2,863 2,874 4.8,877 2,881 12.333,882 7.45,883 5.528,884 2.506,886 3.495,887 1.433,888 1.063,889 3.437,890 11.564,891 3.738,892 4.366,893 4.984,894 5.636,895 6.174,896 6.551,897 6.993,898 7.372,899 7.633,900 7.905,901 0.857,902 45,903 9.644,905 4.366,906 7.808,907 18.34,909 16.053,911 2.308,912 60,915 1,916 153.024,917 113.403,918 69.348,920 50.29,923 113.403,924 203.314,925 69.348,927 38.434,928 75.381,929 80.518,930 48.335,931 13.915,932 129.482,934 153.024,935 182.75,936 50.29,939 153.024,940 50.29,943 71.882,944 101.821,945 9.047,947 153.024,948 119.637,949 113.403,952 153.024,953 28.974,954 84.429,955 52.685,956 66.953,957 153.024,958 119.637,959 113.403,961 0.591,962 0.345,963 0.197,964 0.105,965 25,966 10,967 0.065,968 3,969 3,970 1.227,971 3.903,972 233.756,973 0.273,974 21,975 118.211,981 15.354,982 5.82,983 2.742,984 1.613,985 102.852,986 15.444,988 3.139,991 3.154,993 52.685,994 386.065,995 41,1000 24.876,1002 1.611,1003 3.904,1004 -0.295,1007 42.363,1008 46.903,1009 0.292,1010 0.704,1011 0.866,1012 0.944,1013 0.956,1014 0.956,1015 4.997,1016 1.572,1017 5.894,1018 4.355,1019 4.489,1020 5.053,1021 2.194,1022 6.767,1023 4.47,1024 6.229,1025 1.247,1026 7.488,1027 4.211,1028 4.205,1029 4.924,1030 1.593,1031 7.849,1032 4.201,1033 7.559,1034 1,1035 9.187,1036 2.889,1037 6.168,1038 7.293,1039 3,1040 10.968,1041 6.137,1042 8.924,1043 0.991,1044 10.949,1045 2.347,1046 6.698,1047 8.006,1048 3.032,1049 12.875,1050 6.683,1051 10.322,1052 0.537,1053 12.751,1054 2.136,1055 8.158,1056 9.863,1057 4.068,1058 15.539,1059 8.123,1060 11.743,1061 0.049,1062 14.581,1063 1.359,1064 9.054,1065 10.996,1066 4.409,1067 17.773,1068 9.029,1069 13.183,1070 -0.123,1071 16.431,1072 0.141,1073 10.328,1074 12.648,1075 5.259,1076 20.289,1077 10.291,1078 3.273,1079 -0.36,1080 18.297,1081 -0.329,1082 11.385,1083 13.993,1084 5.75,1085 22.651,1086 11.353,1087 3.232,1088 11.609,1089 20.174,1090 -0.913,1091 12.592,1092 15.566,1093 6.504,1094 25.116,1095 12.552,1096 2.522,1097 11.288,1098 22.061,1099 4.655,1100 13.719,1101 17.012,1102 7.068,1103 27.526,1104 13.68,1105 2.463,1106 7.814,1107 23.955,1108 3.664,1109 14.903,1110 18.557,1111 7.772,1112 29.975,1113 14.86,1114 2.267,1115 7.572,1116 25.855,1117 3.323,1118 16.059,1119 20.051,1120 8.374,1121 32.404,1122 16.014,1123 1.893,1124 6.802,1125 27.759,1126 3.207,1127 17.238,1128 21.587,1129 9.051,1130 34.847,1131 17.189,1132 1.63,1133 5.604,1134 29.668,1135 3.025,1136 18.407,1137 23.104,1138 9.674,1139 37.283,1140 18.356,1141 8009,1142 13124,1143 20.69,1144 29.5,1145 46.443,1146 47.842,1147 46.385,1148 45.29,1149 45.352,1150 60.527,1151 6.072,1152 136.255,1153 44.925,1154 5.637,1155 5.815,1156 6.709,1157 5.315,1158 5.273,1159 7.655,1160 3.306,1161 18.812,1162 5.26,1163 8.872,1164 1.548,1165 1.595,1166 1.546,1167 1.51,1168 1.512,1169 2.018,1170 0.202,1171 4.542,1172 1.498,1173 4.161,1174 4.192,1175 4.13,1176 4.073,1177 7.431,1178 4.083,1179 4.024,1180 4.054,1181 3.953,1182 3.959,1183 7.427,1184 3.953,1185 3.73,1186 3.767,1187 3.649,1188 3.632,1189 4.992,1190 3.628,1191 3.486,1192 3.544,1193 3.427,1194 3.36,1195 4.758,1196 3.368,1197 3.472,1198 3.529,1199 3.412,1200 3.19,1201 4.598,1202 3.24,1203 3.118,1204 3.16,1205 3.052,1206 2.866,1207 4.318,1208 2.906,1209 2.861,1210 2.925,1211 2.788,1212 2.735,1213 4.137,1214 2.715,1215 2.854,1216 2.896,1217 2.687,1218 2.662,1219 3.686,1220 2.674,1221 0.157,1222 0.127,1223 0.23,1224 0.142,1225 0.109,1226 4.697,1227 0.155,1228 3.815,1229 0.064,1230 6.907,1231 0.387,1232 4.268,1233 0.109,1234 3.273,1235 4.655,1236 1.907,1237 11.609,1238 3.26,1239 1.95,1240 1.934,1241 2.022,1242 2.04,1243 1.192,1244 2.029,1245 1.896,1246 1.869,1247 2.002,1248 1.97,1249 1.153,1250 1.989,1251 1.567,1252 1.519,1253 1.687,1254 1.759,1255 0.847,1256 1.741,1257 1.399,1258 1.366,1259 1.55,1260 1.648,1261 0.731,1262 1.605,1263 1.316,1264 1.262,1265 1.436,1266 1.627,1267 0.702,1268 1.581,1269 1.158,1270 1.098,1271 1.428,1272 1.326,1273 0.376,1274 1.368,1275 0.997,1276 0.94,1277 1.189,1278 1.206,1279 0.254,1280 1.21,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.111,1288 1.946,1289 5.468,1290 4.111,1291 7.018,1292 6.196,1293 8.661,1294 8.201,1295 10.358,1303 0.853,1305 5.451,1308 0.249,1314 28.676,1315 66.039,1316 159.542,1317 196.071,1318 213.722,1319 216.477,1320 216.477,1321 42.149,1322 8.069,1323 90.64,1324 90.64,1325 27,1326 12.824,1327 4.322,1328 3.585,1329 34.021,1330 97,1331 99,1332 0.172,1333 171.546,1334 295.24,1335 410.332,1336 38755,1338 17.673,1339 0.68,1340 0.532,1341 17.673,1342 13.822,1343 12.704,1344 0.423,1345 0.285,1346 8.454,1347 12.302,1348 8.321,1349 6.831,1350 12.704,1351 8.549,1352 11.759,1353 0.267,1354 0.153,1355 11.759,1356 6.738,1357 10.045,1358 0.167,1359 0.08,1360 10.045,1361 4.811,1362 8.833,1363 0.106,1364 0.042,1365 8.833,1366 3.521,1367 7.096,1368 0.068,1369 0.022,1370 7.096,1371 2.317,1372 0.269,1373 79.192,1374 0.22,1375 25.021,1376 0.472,1377 148,1378 410.115,1379 159.312,1380 402.464,1381 555.84,1382 376,1383 181,1384 416.597,1385 192.452,1386 423.22,1387 622.3,1388 400,1389 5.8}
{0 CHEMBL1969506,1 1.803,2 14.743,3 1.885,4 3.553,5 132.181,6 8.579,7 0.421,8 4.183,9 4.28,10 3.972,11 3.723,12 5.371,13 3.715,14 4.694,15 4.829,16 4.287,17 4.072,18 6.134,19 4.069,20 4.931,21 5.078,22 4.284,23 4.193,24 6.299,25 4.156,26 5.039,27 5.266,28 4.21,29 4.144,30 6.276,31 4.098,32 4.899,33 5.091,34 4.088,35 4.024,36 6.209,37 4.013,38 4.758,39 4.926,40 4.1,41 4.054,42 6.015,43 4.028,44 4.809,45 4.967,46 4.056,47 4.063,48 6.149,49 4.005,50 4.829,51 5.057,52 3.937,53 3.941,54 6.042,55 3.86,56 0.22,57 0.907,58 12.126,59 5.348,60 29.369,61 5.751,62 0.667,63 1.361,64 21.527,65 8.721,66 96.041,67 10.203,68 0.936,69 1.612,70 27.982,71 10.899,72 100.152,73 12.282,74 0.903,75 1.69,76 37.464,77 11.94,78 107.565,79 15.526,80 1.058,81 1.452,82 29.698,83 9.085,84 145.913,85 10.314,86 0.632,87 1.38,88 24.722,89 8.844,90 84.436,91 10.339,92 0.712,93 1.417,94 23.178,95 9.747,96 82.892,97 11.516,98 0.831,99 1.329,100 29.949,101 10.179,102 106.972,103 12.975,104 88,105 58,106 0.289,107 0.649,108 0.755,109 0.804,110 0.81,111 0.81,112 3.588,113 0.951,114 -1.54,115 -1.61,116 -1.65,119 39.7,120 3,125 1,130 1,138 2,142 7,143 2,144 2,145 1,152 1,156 2,159 1,163 1,164 1,165 1,166 1,172 6,174 4,175 6,177 2,178 2,180 3,183 9,187 3,188 8,191 2,192 1,193 6,196 4,198 2,200 15,203 2,205 4,210 2,213 12,216 2,218 4,223 1,225 7,230 4,233 6,238 6,241 4,242 1,243 2,245 1,246 8,249 2,250 2,253 2,258 6,263 2,269 3,272 8,276 2453,277 22.228,278 22.228,279 22.228,280 22.228,281 22.228,282 19.553,283 27.998,284 12.4,285 22.653,286 18.713,287 18.713,288 18.713,289 18.713,290 18.713,291 14.315,292 40.052,293 5.871,294 19.391,295 4.055,296 1.814,297 1.154,298 0.85,299 0.815,300 0.815,301 4.27,306 1,307 1092,308 4.899,310 92.34,311 91.815,312 227.278,315 160.073,319 2.493,320 58.482,323 0.75,324 0.67,325 0.83,326 0.5,328 0.67,329 0.5,330 0.56,331 78.5,332 516,333 4.801,334 4.661,335 7.111,336 4.307,337 3.314,338 4.66,339 2.172,340 11.657,341 3.323,342 4.657,343 3.967,344 6.951,345 4.228,346 3.299,347 4.538,348 0.657,349 11.622,350 3.051,351 4.593,352 3.844,353 6.713,354 4.161,355 3.212,356 4.153,357 0.4,358 10.894,359 3.001,360 4.149,361 3.254,362 6.416,363 4.005,364 3.046,365 3.427,366 0.262,367 10.039,368 2.9,369 3.884,370 2.944,371 5.666,372 3.486,373 2.497,374 3.367,376 7.611,377 2.472,378 3.815,379 2.84,380 5.364,381 3.441,382 2.466,383 3.087,385 7.021,386 2.388,387 3.444,388 2.749,389 5.278,390 3.047,391 2.07,392 2.703,394 6.409,395 2.008,396 3.144,397 2.547,398 4.93,399 2.706,400 1.716,401 2.342,403 4.911,404 1.691,405 3.025,406 2.19,407 4.798,408 2.516,409 1.51,410 2.221,412 4.58,413 1.511,414 2.995,415 1.745,416 4.58,417 2.497,418 1.508,419 2.061,421 4.397,422 1.487,423 2.837,424 1.656,425 4.438,426 2.437,427 1.419,428 1.8,430 4.129,431 1.43,432 2.599,433 1.433,434 3.917,435 2.071,436 1.095,437 1.58,439 2.917,440 1.057,441 2.5,442 1.263,443 3.414,444 2,445 1,446 1.5,448 2.275,449 1,450 2.068,451 1,452 3.332,453 1.66,454 0.66,455 0.854,457 1.594,458 0.652,459 1.977,460 0.764,461 3.228,462 1.504,463 0.542,464 0.753,466 1.346,467 0.518,468 16.333,469 0.467,470 1.427,471 0.041,472 46,473 1.314,474 23.5,475 0.671,476 22.5,477 0.643,478 30.241,479 0.864,480 38.267,481 0.66,482 40.746,483 1.164,484 8.937,485 0.255,486 7.394,487 0.211,488 0.218,489 0.082,490 0.331,496 0.635,497 1.246,498 0.772,499 1.179,500 0.665,501 0.901,502 0.592,503 1.172,504 0.756,505 1.01,506 0.485,507 0.859,508 1.017,509 1.188,510 1.083,511 1.127,512 0.756,513 1.172,514 0.856,515 1.047,516 0.807,517 0.925,518 0.8,519 0.898,520 1.523,521 0.735,522 0.985,523 0.63,524 1.472,525 0.812,526 1.06,527 0.999,528 0.998,529 0.958,530 0.943,531 0.953,532 0.894,533 1.21,534 1.061,535 1.207,536 1.033,537 1.336,538 0.886,539 0.833,540 0.817,541 0.832,542 0.976,543 0.936,544 10.5,545 0.334,546 5.111,547 3.632,548 2.063,549 1.59,550 1.139,551 0.589,552 0.524,553 0.426,554 19307,555 66274,556 1.978,557 39.7,559 9,561 1,562 4,564 9,567 1.763,568 1.78,569 3.804,570 1.605,577 104.56,578 1.803,579 4.044,580 4.704,581 5.008,582 5.043,583 5.043,584 3.24,585 4.607,586 5.098,587 4.052,588 2410.78,589 8.93,590 39552.7,595 339.763,596 1.795,597 5.007,598 0.276,599 0.009,600 0.091,601 0.069,602 0.041,603 0.035,604 0.024,605 0.014,606 0.015,607 0.012,608 0.587,609 0.17,610 0.75,611 1.179,612 192.921,613 0.001,614 -0.016,615 0.157,616 -0.034,617 -0.138,618 0.046,619 0.237,620 -0.068,621 0.128,622 0.007,623 0.23,624 0.09,625 -0.037,626 -0.149,627 -0.2,628 -0.153,629 0.021,630 -0.234,631 -0.004,632 -0.101,633 0.131,634 -0.007,635 0.021,636 0.117,637 -0.356,638 0.24,639 -0.138,640 0.202,641 -0.275,642 0.096,643 -0.201,644 0.051,645 -0.135,647 -0.112,648 0.005,649 -0.03,650 -0.189,651 -0.266,652 -0.278,653 -0.099,654 -0.381,655 0.005,656 0.076,657 0.115,658 0.09,659 -0.063,660 0.094,661 4.718,662 5.361,663 0.543,664 45.417,665 1.026,666 1.128,667 0.308,668 0.095,669 0.677,670 3.664,671 4.078,672 4.29,673 4.511,674 4.663,675 4.812,676 4.949,677 5.075,678 5.231,679 5.407,680 8.762,681 0.661,682 497.58,683 3.664,684 5.263,685 6.116,686 7.031,687 7.903,688 8.816,689 9.697,690 10.61,691 11.497,692 12.409,693 8.6,695 1,697 1,698 1,701 1,703 1,708 2,709 8,710 1,714 3,715 1,716 16,728 1,731 1,735 58,737 22,738 2,739 38,741 61,742 23,743 13,744 5,745 7,746 5,748 4,749 5,754 3,762 18,763 5,764 1,767 6,770 1,772 5,776 5,783 23,784 10,785 4,786 12,787 1,792 5,797 0.75,798 6,807 1,814 1,815 1,816 2,819 1,827 2,834 2,838 1,843 3,845 1,847 3,851 35,852 1,855 1,858 1,860 2,861 1,865 1,874 10.3,877 5,879 1,881 19.667,882 11.317,883 7.236,884 3.151,886 3.641,887 1.441,888 0.982,889 6.383,890 11.893,891 3.97,892 4.642,893 5.175,894 5.709,895 6.163,896 6.525,897 6.922,898 7.29,899 7.588,900 7.993,901 0.9,902 53,903 13.235,905 6.118,906 8.21,907 23.753,909 19.749,911 2.71,912 94.833,916 223.651,917 144.523,918 85.753,920 130.748,922 5.807,923 138.716,924 354.399,925 85.753,926 26.476,927 2.106,928 121.443,929 181.973,930 31.89,931 8.907,932 211.88,934 223.651,935 224.468,936 130.748,937 5.807,939 117.711,940 236.688,943 57.416,944 126.865,945 45.995,947 223.651,948 216.5,949 144.523,951 5.807,952 223.651,953 36.859,954 103.633,955 36.022,956 178.702,957 223.651,958 216.5,959 144.523,961 0.612,962 0.333,963 0.165,964 0.082,965 29,966 15,967 0.131,968 8,969 1,970 1.105,971 4.501,972 324.26,973 0.105,974 19,975 168.77,980 1,981 24.764,982 9.022,983 5.338,984 1.153,985 214.724,986 12.328,987 4.084,991 1.185,992 1.149,993 67.313,994 584.674,995 52,998 -3.801,1000 59.366,1004 -1.71,1007 59.502,1008 65.405,1009 0.308,1010 0.69,1011 0.803,1012 0.855,1013 0.861,1014 0.861,1015 5.263,1016 1.716,1017 6.196,1018 6.409,1019 4.762,1020 5.33,1021 2.342,1022 7.093,1023 4.696,1024 6.548,1025 1.51,1026 7.826,1027 4.911,1028 4.745,1029 5.527,1030 1.784,1031 8.36,1032 4.627,1033 7.93,1034 1.508,1035 9.562,1036 4.58,1037 6.535,1038 7.683,1039 3.476,1040 11.369,1041 6.382,1042 9.348,1043 1.419,1044 11.358,1045 4.397,1046 7.252,1047 8.644,1048 3.553,1049 13.365,1050 7.046,1051 10.796,1052 1.095,1053 13.191,1054 4.129,1055 8.629,1056 10.377,1057 4.871,1058 15.992,1059 8.389,1060 12.265,1061 1,1062 15.049,1063 2.917,1064 9.625,1065 11.652,1066 5.235,1067 18.25,1068 9.339,1069 13.751,1070 0.66,1071 16.926,1072 2.275,1073 10.867,1074 13.243,1075 6.339,1076 20.755,1077 10.549,1078 3.314,1079 0.542,1080 18.815,1081 1.594,1082 11.972,1083 14.653,1084 6.865,1085 23.115,1086 11.615,1087 3.299,1088 11.657,1089 20.715,1090 1.346,1091 13.17,1092 16.193,1093 7.84,1094 25.577,1095 12.783,1096 3.212,1097 11.622,1098 22.623,1099 4.66,1100 14.319,1101 17.662,1102 8.462,1103 27.98,1104 13.9,1105 3.046,1106 10.894,1107 24.537,1108 4.538,1109 15.503,1110 19.186,1111 9.359,1112 30.427,1113 15.057,1114 2.497,1115 10.039,1116 26.456,1117 4.153,1118 16.67,1119 20.681,1120 10.041,1121 32.849,1122 16.197,1123 2.466,1124 7.611,1125 28.38,1126 3.427,1127 17.851,1128 22.201,1129 10.891,1130 35.292,1131 17.355,1132 2.07,1133 7.021,1134 30.306,1135 3.367,1136 19.027,1137 23.709,1138 11.609,1139 37.724,1140 18.509,1141 18752,1142 34970,1143 23.868,1144 39.256,1145 60.05,1146 63.264,1147 60.693,1148 58.944,1149 58.843,1150 78.266,1151 6.982,1152 183.159,1153 57.116,1154 5.746,1155 6.661,1156 6.525,1157 5.382,1158 5.314,1159 7.66,1160 3.872,1161 19.657,1162 5.323,1163 24.819,1164 1.58,1165 1.665,1166 1.597,1167 1.551,1168 1.548,1169 2.06,1170 0.184,1171 4.82,1172 1.503,1173 4.133,1174 4.166,1175 4.728,1176 4.062,1177 7.726,1178 4.03,1179 4.06,1180 4.049,1181 4.099,1182 3.999,1183 7.501,1184 3.966,1185 3.913,1186 3.918,1187 3.914,1188 3.773,1189 7.434,1190 3.796,1191 3.722,1192 3.766,1193 3.721,1194 3.581,1195 7.349,1196 3.556,1197 3.659,1198 3.653,1199 3.606,1200 3.555,1201 6.999,1202 3.507,1203 3.427,1204 3.475,1205 3.362,1206 3.213,1207 5.015,1208 3.247,1209 3.144,1210 3.218,1211 3.026,1212 2.918,1213 4.832,1214 2.919,1215 3.09,1216 3.111,1217 3.019,1218 2.9,1219 4.68,1220 2.915,1221 0.126,1222 0.123,1223 0.187,1224 0.113,1225 0.087,1226 4.801,1227 0.123,1228 4.661,1229 0.057,1230 7.111,1231 0.307,1232 4.307,1233 0.087,1234 3.314,1235 4.66,1236 2.172,1237 11.657,1238 3.323,1239 1.978,1240 1.976,1241 2.036,1242 2.08,1243 1.213,1244 2.083,1245 1.948,1246 1.93,1247 2.011,1248 2.03,1249 1.167,1250 2.043,1251 1.79,1252 1.786,1253 1.945,1254 1.944,1255 1.117,1256 1.925,1257 1.696,1258 1.647,1259 1.813,1260 1.885,1261 0.946,1262 1.892,1263 1.497,1264 1.523,1265 1.465,1266 1.684,1267 0.726,1268 1.707,1269 1.372,1270 1.314,1271 1.453,1272 1.666,1273 0.469,1274 1.621,1275 1.097,1276 1.053,1277 1.417,1278 1.363,1279 0.469,1280 1.371,1281 1.06,1282 1.003,1283 1.417,1284 1.279,1285 0.429,1286 1.308,1287 4.344,1289 5.759,1290 2.398,1291 7.348,1292 4.727,1293 9.01,1294 6.843,1295 10.709,1297 5.275,1301 5.09,1303 0.187,1305 5.851,1306 5.35,1310 -0.673,1314 38.324,1315 104.56,1316 234.548,1317 272.827,1318 290.479,1319 292.479,1320 292.479,1321 99.453,1322 8.252,1323 162.48,1324 170.86,1325 21,1326 12.928,1327 4.524,1328 3.907,1329 59.823,1330 183,1331 167,1332 0.157,1333 238.699,1334 421.53,1335 574.186,1336 50018,1338 25.543,1339 0.73,1340 0.571,1341 25.793,1342 19.972,1343 16.331,1344 0.43,1345 0.317,1346 10.461,1347 14.825,1348 9.989,1349 8.321,1350 17.226,1351 12.051,1352 17.029,1353 0.294,1354 0.18,1355 18.416,1356 10.447,1357 12.551,1358 0.174,1359 0.083,1360 13.308,1361 5.965,1362 10.238,1363 0.114,1364 0.043,1365 10.755,1366 3.826,1367 7.433,1368 0.071,1369 0.023,1370 7.801,1371 2.433,1372 0.254,1373 112.529,1374 0.205,1375 32.748,1376 0.41,1377 192,1378 664.542,1379 250.409,1380 654.59,1381 870.67,1382 598,1383 226,1384 611.972,1385 290.538,1386 650.897,1387 947.76,1388 605,1389 5.1}
{0 CHEMBL1969523,1 1.54,2 11.143,3 4.072,4 16.584,5 110.919,6 7.161,7 0.4,8 4.053,9 4.18,10 3.57,11 3.559,12 5.205,13 3.537,14 4.533,15 4.73,16 3.924,17 3.894,18 5.628,19 3.858,20 4.764,21 4.961,22 3.96,23 4.033,24 5.95,25 3.959,26 4.957,27 5.247,28 3.83,29 4.018,30 5.912,31 3.896,32 4.772,33 5.03,34 3.883,35 3.94,36 5.801,37 3.873,38 4.684,39 4.867,40 3.946,41 3.907,42 5.928,43 3.88,44 4.755,45 4.963,46 3.785,47 3.842,48 6.015,49 3.797,50 4.643,51 4.873,52 3.584,53 3.777,54 5.747,55 3.679,56 0.047,57 0.791,58 11.427,59 4.603,60 13.498,61 6.315,62 0.172,63 1.202,64 19.908,65 7.307,66 24.346,67 10.476,68 0.351,69 1.455,70 25.407,71 8.508,72 57.51,73 12.7,74 0.493,75 1.527,76 34.111,77 10.261,78 65.672,79 16.047,80 0.333,81 1.334,82 27.482,83 8.479,84 47.342,85 12.887,86 0.243,87 1.271,88 23.901,89 7.468,90 48.569,91 10.676,92 0.651,93 1.254,94 27.491,95 7.012,96 87.839,97 9.955,98 0.44,99 1.106,100 24.356,101 7.644,102 64.393,103 10.955,104 53,105 44,106 0.257,107 0.612,108 0.734,109 0.808,110 0.814,111 0.82,112 3.374,113 0.911,114 -3.93,115 -3.88,116 -3.68,119 39.6,120 5,123 1,127 1,138 2,142 5,143 1,144 1,145 1,147 1,150 1,156 2,172 8,174 2,175 5,178 2,180 2,183 10,187 1,188 3,191 2,192 1,193 2,196 6,199 1,200 4,203 3,205 3,208 1,212 1,213 7,216 1,218 3,225 9,228 1,230 6,233 2,237 1,238 4,241 2,242 1,243 3,246 4,250 5,253 1,254 1,258 5,264 4,269 4,276 1260,277 17.919,278 17.919,279 17.919,280 17.919,281 17.919,282 15.754,283 26.523,284 10.252,285 18.272,286 14.776,287 14.776,288 14.776,289 14.776,290 14.776,291 11.544,292 45.402,293 4.894,294 15.424,295 4.188,296 2.059,297 1.323,298 0.883,299 0.845,300 0.807,301 4.045,305 1,306 1,307 650,308 4,310 74.865,312 196.901,319 1.796,320 28.555,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 60.5,332 312,333 4.687,334 3.623,335 7.079,336 4.329,337 3.356,338 4.23,339 0.6,340 11.75,341 3.281,342 4.279,343 3.299,344 6.928,345 4.197,346 3.22,347 3.741,348 0.6,349 11.24,350 3.122,351 4.138,352 2.926,353 5.715,354 3.718,355 2.772,356 3.58,357 0.4,358 8.1,359 2.645,360 3.975,361 2.698,362 5.455,363 3.513,364 2.554,365 3.298,367 7.289,368 2.427,369 3.475,370 2.394,371 5.088,372 3.075,373 2.127,374 2.756,376 6.096,377 2.016,378 3.205,379 2.183,380 4.993,381 2.756,382 1.801,383 2.441,385 5.238,386 1.712,387 3.173,388 2.02,389 4.787,390 2.681,391 1.744,392 2.245,394 5.017,395 1.628,396 2.881,397 1.74,398 4.595,399 2.356,400 1.414,401 1.933,403 4.278,404 1.324,405 2.664,406 1.437,407 4.257,408 2.182,409 1.199,410 1.731,412 3.25,413 1.179,414 2.623,415 1.247,416 3.504,417 2.11,418 1.16,419 1.659,421 2.642,422 1.095,423 2.223,424 1.18,425 3.474,426 2.092,427 1.145,428 1.203,430 2.558,431 1.079,432 1.535,433 0.835,434 3.078,435 1.083,436 0.201,437 0.253,439 0.5,440 0.176,441 1.295,442 0.154,443 2.885,444 0.94,450 0.936,451 -0.132,452 2.762,453 0.585,454 -0.389,455 -0.466,457 -0.918,458 -0.362,459 0.881,460 -0.147,461 2,462 0.53,463 -0.42,464 -0.52,466 -1.071,467 -0.416,468 13.167,469 0.47,470 1.025,471 0.037,472 35.5,473 1.268,474 17.5,475 0.625,476 18,477 0.643,478 26.11,479 0.933,480 30.633,481 0.578,482 26.183,483 0.935,484 6.693,485 0.239,486 6.454,487 0.23,488 0.241,489 0.038,490 0.342,496 0.985,497 1.38,498 0.866,499 1.113,500 1.057,501 0.997,502 0.611,503 1.104,504 0.674,505 0.968,506 0.562,507 0.85,508 0.722,509 1.419,510 1.098,511 1.315,512 0.609,513 1.263,514 0.729,515 0.852,516 0.834,517 0.814,518 0.671,519 0.827,520 0.892,521 0.872,522 0.75,523 0.764,524 0.797,525 0.728,526 1.486,527 1.393,528 1.046,529 1.199,530 1.487,531 1.082,532 2.247,533 0.861,534 1.443,535 0.886,536 2.387,537 1.024,538 1.486,539 0.963,540 1.168,541 0.953,542 1.684,543 1.023,544 8,545 0.211,546 3.333,547 2.625,548 1.587,549 1.188,550 0.79,551 0.474,552 0.345,553 0.266,554 9554,555 23485,556 1.964,557 47.2,558 12,559 6,561 1,562 3,564 3,567 1.711,568 1.778,569 3.467,570 0.917,572 1,577 81.635,578 1.54,579 3.669,580 4.405,581 4.845,582 4.883,583 4.92,584 2.91,585 4.352,586 4.78,587 3.66,588 1383.39,589 8.312,590 18735.9,592 1,594 1,595 303.58,596 1.728,597 4.694,598 0.267,599 0.01,600 0.079,601 0.066,602 0.045,603 0.03,604 0.02,605 0.015,606 0.013,607 0.011,608 0.555,609 0.33,610 1,611 1.187,612 141.75,613 -0.107,614 -0.157,615 0.018,616 -0.003,617 -0.188,618 0.018,619 0.184,620 0.023,621 0.253,622 0.066,623 0.147,624 0.148,625 0.179,626 -0.292,627 -0.162,628 -0.314,629 0.193,630 -0.294,631 0.119,632 0.088,633 0.165,634 0.122,635 0.08,636 0.147,637 0.056,638 0.124,639 0.24,640 0.195,641 0.076,642 0.244,643 -0.093,644 -0.314,645 -0.054,646 -0.214,647 -0.015,648 -0.141,649 -0.335,650 0.188,651 -0.37,652 -0.002,653 -0.36,654 -0.164,655 -0.134,656 -0.002,657 -0.155,658 0.021,659 -0.2,660 -0.065,661 1.938,662 4.018,663 0.571,664 27.357,665 1,666 1.133,667 2.697,668 7.276,669 0.652,670 3.434,671 3.807,672 4.007,673 4.159,674 4.344,675 4.431,676 4.477,677 4.543,678 4.585,679 4.682,680 6.884,681 0.619,682 379.51,683 3.434,684 5.004,685 5.844,686 6.735,687 7.597,688 8.491,689 9.364,690 10.261,691 11.14,692 12.039,693 9.4,701 1,702 2,703 2,709 6,710 2,714 4,716 12,728 1,735 53,737 15,738 1,739 30,741 55,742 21,743 10,744 2,745 4,746 4,748 3,749 3,754 5,755 1,760 1,762 14,763 7,767 3,775 2,776 4,780 1,783 25,784 7,785 3,786 7,792 5,797 1,798 2,810 1,814 1,816 2,826 2,834 2,841 2,843 3,847 5,851 28,857 2,860 1,863 1,865 1,874 3.8,876 2,881 15.75,882 11.033,883 5.944,884 3.075,886 3.539,887 1.487,888 0.904,889 5.527,890 10.806,891 3.689,892 4.304,893 4.824,894 5.319,895 5.813,896 6.066,897 6.433,898 6.852,899 7.234,900 7.571,901 1,902 40,903 10.333,905 4.361,906 7.801,907 19.494,909 15.674,911 2.301,912 64.417,914 1,915 1,916 258.964,917 116.238,918 85.153,920 85.367,923 116.238,924 344.331,925 85.153,926 44.126,928 47.381,929 136.222,930 66.572,931 4.227,932 247.193,934 258.964,935 201.39,936 85.367,939 223.651,940 120.68,943 106.654,944 61.165,945 33.571,947 258.964,948 170.52,949 116.238,952 258.964,953 15.683,954 100.555,955 18.011,956 152.509,957 258.964,958 170.52,959 116.238,961 0.602,962 0.335,963 0.155,964 0.084,965 21,966 11,967 0.091,968 5,970 1,971 3.9,972 233.515,974 16,975 127.851,981 20.031,982 7.726,983 4.594,985 170.52,986 11.068,987 8.565,991 2.738,993 103.377,994 545.721,995 39,1003 8.88,1004 0.022,1007 53,1008 60.062,1009 0.269,1010 0.641,1011 0.769,1012 0.846,1013 0.852,1014 0.859,1015 4.963,1016 1.414,1017 5.894,1018 5.017,1019 4.489,1020 4.99,1021 1.015,1022 6.749,1023 4.404,1024 6.216,1025 1.199,1026 7.498,1027 4.278,1028 4.369,1029 4.89,1031 7.904,1032 4.269,1033 7.558,1034 1.16,1035 9.21,1036 3.25,1037 6.201,1038 7.18,1039 0.451,1040 10.953,1041 6.052,1042 8.935,1043 1.145,1044 10.986,1045 2.642,1046 6.847,1047 7.811,1049 12.899,1050 6.687,1051 10.341,1052 0.201,1053 12.804,1054 2.558,1055 8.247,1056 9.639,1057 0.178,1058 15.555,1059 8.05,1060 11.767,1062 14.653,1063 0.5,1064 9.209,1065 10.627,1067 17.801,1068 8.998,1069 13.211,1070 -0.389,1071 16.525,1073 10.462,1074 12.244,1075 0.066,1076 20.329,1077 10.222,1078 3.356,1079 -0.42,1080 18.414,1081 -0.918,1082 11.554,1083 13.424,1085 22.692,1086 11.296,1087 3.22,1088 11.75,1089 20.316,1090 -1.071,1091 12.759,1092 14.938,1093 0.024,1094 25.172,1095 12.475,1096 2.772,1097 11.24,1098 22.229,1099 4.23,1100 13.906,1101 16.224,1103 27.583,1104 13.602,1105 2.554,1106 8.1,1107 24.151,1108 3.741,1109 15.096,1110 17.688,1111 0.009,1112 30.045,1113 14.769,1114 2.127,1115 7.289,1116 26.078,1117 3.58,1118 16.268,1119 19.035,1121 32.477,1122 15.919,1123 1.801,1124 6.096,1125 28.01,1126 3.298,1127 17.456,1128 20.476,1129 0.003,1130 34.932,1131 17.085,1132 1.744,1133 5.238,1134 29.946,1135 2.756,1136 18.639,1137 21.857,1139 37.373,1140 18.246,1141 9472,1142 15076,1143 18.898,1144 34.552,1145 46.517,1146 46.524,1147 47.509,1148 45.304,1149 45.39,1150 58.141,1151 3.2,1152 135.918,1153 43.371,1154 5.547,1155 5.623,1156 6.639,1157 5.404,1158 5.356,1159 7.23,1160 1.2,1161 19.75,1162 5.281,1163 18.341,1164 1.551,1165 1.551,1166 1.584,1167 1.51,1168 1.513,1169 1.938,1170 0.107,1171 4.531,1172 1.446,1173 3.999,1174 4.039,1175 3.968,1176 3.881,1177 6.539,1178 3.891,1179 3.912,1180 3.945,1181 3.859,1182 3.818,1183 6.391,1184 3.828,1185 3.788,1186 3.843,1187 3.717,1188 3.656,1189 5.055,1190 3.658,1191 3.694,1192 3.732,1193 3.603,1194 3.557,1195 4.747,1196 3.572,1197 3.233,1198 3.329,1199 3.066,1200 3.05,1201 4.671,1202 3.039,1203 3.208,1204 3.29,1205 3.002,1206 3.031,1207 4.364,1208 3.007,1209 3.029,1210 3.107,1211 2.884,1212 2.853,1213 4.106,1214 2.855,1215 2.874,1216 3.009,1217 2.764,1218 2.618,1219 4.008,1220 2.596,1221 0.156,1222 0.121,1223 0.236,1224 0.144,1225 0.112,1226 4.687,1227 0.141,1228 3.623,1229 0.02,1230 7.079,1231 0.392,1232 4.329,1233 0.109,1234 3.356,1235 4.23,1236 0.6,1237 11.75,1238 3.281,1239 1.923,1240 1.891,1241 2.046,1242 2.058,1243 1.303,1244 2.044,1245 1.883,1246 1.852,1247 2.038,1248 2.01,1249 1.133,1250 2.018,1251 1.764,1252 1.716,1253 1.866,1254 1.92,1255 0.933,1256 1.921,1257 1.64,1258 1.604,1259 1.733,1260 1.811,1261 0.759,1262 1.791,1263 1.256,1264 1.162,1265 1.613,1266 1.501,1267 0.709,1268 1.546,1269 1.221,1270 1.144,1271 1.544,1272 1.436,1273 0.606,1274 1.476,1275 1,1276 0.931,1277 1.417,1278 1.239,1279 0.469,1280 1.308,1281 0.934,1282 0.804,1283 1.417,1284 1.239,1285 0.469,1286 1.308,1287 4.111,1289 5.501,1291 7.081,1293 8.737,1295 10.431,1297 10.149,1302 20.005,1305 3.132,1308 -0.063,1310 -0.08,1314 32.805,1315 81.635,1316 194.46,1317 233.441,1318 256.786,1319 258.786,1320 260.786,1321 59.355,1322 7.267,1323 102.99,1324 102.99,1325 16,1326 12.566,1327 4,1328 3.322,1329 49.702,1330 116,1331 104,1332 0.209,1333 205.647,1334 361.8,1335 493.538,1336 14036,1338 20.474,1339 0.731,1340 0.597,1341 20.474,1342 16.725,1343 13.147,1344 0.438,1345 0.304,1346 9.005,1347 12.705,1348 8.556,1349 7.258,1350 13.147,1351 9.115,1352 13.057,1353 0.297,1354 0.18,1355 13.057,1356 7.91,1357 10.043,1358 0.186,1359 0.085,1360 10.043,1361 4.615,1362 7.304,1363 0.116,1364 0.038,1365 7.304,1366 2.377,1367 5.693,1368 0.075,1369 0.02,1370 5.693,1371 1.512,1372 0.331,1373 82.123,1374 0.23,1375 26.875,1376 0.567,1377 148,1378 411.213,1379 162.365,1380 406.98,1381 559.92,1382 378,1383 172,1384 422.878,1385 187.391,1386 432.997,1387 631.07,1388 404,1389 5.1}
{0 CHEMBL1969537,1 1.867,2 5.95,3 3.276,4 10.734,5 85.857,6 11.445,7 0.75,8 3.563,9 3.648,10 3.556,11 3.264,12 4.718,13 3.206,14 4.086,15 4.205,16 4.079,17 3.703,18 5.202,19 3.656,20 4.231,21 4.382,22 4.133,23 3.828,24 5.292,25 3.71,26 4.195,27 4.323,28 4.22,29 3.765,30 5.359,31 3.666,32 4.033,33 4.171,34 3.997,35 3.623,36 5.235,37 3.524,38 3.938,39 4.116,40 3.826,41 3.478,42 5.042,43 3.258,44 3.744,45 3.964,46 2.757,47 3.032,48 4.733,49 2.698,50 3.02,51 3.323,52 1.112,53 2.063,54 3.78,55 1.6,56 0.103,57 0.554,58 3.762,59 2.539,60 7.978,61 2.029,62 0.233,63 0.961,64 5.295,65 4.002,66 10.928,67 3.721,68 0.245,69 1.058,70 12.025,71 6.309,72 15.415,73 5.522,74 0.272,75 1.121,76 15.937,77 6.54,78 14.09,79 4.543,80 0.255,81 0.933,82 5.475,83 4.204,84 13.432,85 2.357,86 0.231,87 0.802,88 10.131,89 5.117,90 18.587,91 3.058,92 0.233,93 0.633,94 16.78,95 5.888,96 25.972,97 3.661,98 0.127,99 0.271,100 15.102,101 4.032,102 15.662,103 3.344,104 5,105 38,106 0.349,107 0.674,108 0.777,109 0.831,110 0.844,111 0.857,112 3.063,113 0.989,114 -5.15,115 -5.04,116 -4.72,119 39.3,121 3,143 2,152 1,153 1,161 1,162 3,166 2,172 4,174 6,175 4,183 7,187 1,188 4,196 4,199 4,200 11,212 2,213 9,225 6,238 2,276 334,277 13.861,278 13.861,279 13.861,280 13.861,281 13.861,282 11.814,283 8.037,284 7.713,285 14.489,286 11.854,287 11.854,288 11.854,289 11.854,290 11.854,291 8.584,292 4.228,293 3.634,294 12.992,295 2.94,296 1.197,297 0.643,298 0.357,299 0.286,300 0.214,301 3.775,305 1,306 1,307 277,308 2.236,311 88.035,312 22.946,314 35.34,315 109.966,318 201.944,319 0.67,320 14.015,323 1,324 0.83,325 1,326 0.4,328 0.83,329 1,330 0.72,331 43,332 119,333 4.976,334 3.936,335 7.295,336 4.424,337 3.501,338 5.163,340 13.088,341 3.244,342 4.373,343 3.82,344 6.613,345 3.897,346 2.967,347 4.158,349 10.506,350 2.751,351 4.232,352 3.378,353 6.417,354 3.662,355 2.775,356 4.025,358 9.712,359 2.454,360 3.544,361 2.808,362 5.688,363 3.125,364 2.179,365 2.913,367 7.296,368 2.048,369 3.185,370 2.32,371 4.992,372 2.629,373 1.766,374 2.469,376 5.327,377 1.507,378 3.139,379 2.152,380 4.882,381 2.601,382 1.732,383 2.391,385 5.008,386 1.493,387 2.653,388 1.732,389 4.556,390 2.244,391 1.33,392 1.701,394 4.044,395 1.199,396 2.397,397 1.144,398 3.901,399 2.08,400 1.112,401 1.362,403 2.639,404 1.068,405 2.328,406 1.053,407 3.749,408 1.801,409 0.869,410 1.254,412 2.23,413 0.804,414 2.081,415 0.892,416 3.429,417 1.71,418 0.761,419 0.998,421 1.992,422 0.716,423 1.445,424 0.572,425 3.261,426 1.119,427 0.214,428 0.257,430 0.611,431 0.19,432 0.988,433 0.324,434 2.684,435 0.51,436 -0.356,437 -0.452,439 -0.916,440 -0.299,441 0.761,442 0.179,443 2.593,444 0.274,445 -0.578,446 -0.728,448 -1.507,449 -0.477,450 0.315,451 -0.767,452 2.158,453 -0.169,454 -1.015,455 -1.295,457 -2.836,458 -0.845,459 0.15,460 -0.962,461 2,462 -0.346,463 -1.216,464 -1.536,466 -3.321,467 -1.048,468 10.4,469 0.52,470 0.59,471 0.029,472 27.5,473 1.375,474 13,475 0.65,476 14.5,477 0.725,478 17.106,479 0.855,480 19.6,481 0.7,482 14.861,483 0.743,484 4.709,485 0.235,486 5.045,487 0.252,488 0.16,490 0.462,496 0.789,497 1.064,498 0.829,499 0.867,500 0.66,501 0.761,502 0.382,503 0.909,504 0.511,505 0.754,506 0.353,507 0.703,508 0.868,509 1.004,510 0.819,511 0.841,512 0.604,513 0.784,514 0.719,515 1.266,516 0.912,517 1.151,518 0.697,519 0.952,520 1.419,521 0.994,522 0.932,523 0.798,524 1.077,525 0.78,526 1.359,527 0.893,528 0.84,529 0.801,530 1.25,531 1.183,532 1.765,533 1.017,534 2.113,535 1.729,536 2.503,537 1.909,538 1.163,539 0.859,540 2.104,541 1.779,542 2.031,543 1.654,544 3,546 2.667,547 1.944,548 1.467,549 1.042,550 0.284,551 0.083,554 3467,555 11176,556 2.285,557 28.6,558 4,562 2,563 2,567 1.63,568 2.143,569 2.593,570 0.557,572 1,574 1,577 52.288,578 1.867,579 3.611,580 4.164,581 4.45,582 4.522,583 4.593,584 1.766,585 4.022,586 4.3,587 2.648,588 503.064,589 7.403,590 4864.09,591 1,592 1,593 1,594 1,595 134.606,596 1.361,597 4.261,598 0.125,600 0.07,601 0.053,602 0.04,603 0.034,604 0.016,605 0.017,608 0.353,609 0.33,610 0.88,611 0.548,612 83.392,613 0.029,614 -0.083,615 -0.155,616 -0.121,617 0.07,618 -0.071,619 0.501,620 0.037,621 0.139,622 -0.039,623 0.307,624 0.059,625 0.009,626 -0.079,627 0.097,628 0.087,629 0.175,630 0.18,631 0.267,632 -0.256,633 0.064,634 -0.181,635 0.181,636 -0.074,637 -0.345,638 0.07,639 -0.081,640 0.085,641 -0.073,642 0.002,643 -0.372,644 0.069,645 0.15,646 0.183,647 -0.145,648 -0.188,649 -0.705,650 -0.044,651 -0.749,652 -0.45,653 -1.038,654 -0.674,655 -0.114,656 -0.032,657 -0.418,658 -0.261,659 -0.505,660 0.034,661 1.148,662 1.293,663 0.9,664 9.7,665 1.026,666 1.113,667 3.916,668 15.334,669 0.812,670 3.219,671 3.664,672 4.111,673 4.554,674 4.82,675 5.124,676 5.38,677 5.529,678 5.595,679 5.609,680 3.818,681 0.758,682 320.46,683 3.219,684 4.828,685 5.771,686 6.735,687 7.696,688 8.666,689 9.632,690 10.604,691 11.572,692 12.544,693 21.4,701 2,703 4,708 4,710 4,713 1,714 4,716 18,735 28,737 18,739 24,741 32,742 11,743 8,748 5,749 17,757 3,760 3,762 8,763 3,780 1,783 8,784 4,786 9,787 3,792 6,797 0.2,810 1,815 4,816 1,818 1,819 3,822 4,843 1,845 3,851 20,858 3,859 2,869 1,871 2,881 9.333,882 5.267,883 4.111,884 1.763,886 3.883,887 1.493,888 1.118,889 2.279,890 11.761,891 3.526,892 4.341,893 5.176,894 6.005,895 6.656,896 7.32,897 7.923,898 8.445,899 8.815,900 9.174,901 0.75,902 37,903 7.344,905 3.348,906 7.606,907 14.223,909 12.747,911 2.106,912 42.111,913 0.001,916 92.263,917 127.83,918 69.225,922 108.405,923 19.425,924 92.263,925 69.225,927 7.604,929 90.004,930 11.321,931 1.358,932 179.032,934 92.263,935 88.65,937 108.405,939 92.263,943 14.881,944 7.117,945 66.652,946 108.405,947 92.263,948 69.225,949 127.83,952 92.263,953 50.703,954 2.573,956 143.779,957 92.263,958 69.225,959 127.83,961 0.609,962 0.387,963 0.238,964 0.126,965 25,966 10,969 4,970 1.444,971 3.154,972 185.014,973 0.444,974 18,975 86.439,976 2,977 1,981 11.776,982 3.871,983 1.359,984 3.732,985 66.652,987 16.641,990 1.787,991 3.914,994 289.319,995 33,1007 28.724,1008 31.165,1009 0.388,1010 0.751,1011 0.866,1012 0.926,1013 0.941,1014 0.955,1015 4.816,1016 1.112,1017 5.808,1018 4.044,1019 4.344,1020 5.027,1022 6.777,1023 4.167,1024 6.106,1025 0.869,1026 7.458,1027 2.639,1028 4.111,1029 5.173,1031 7.941,1032 3.824,1033 7.493,1034 0.761,1035 9.208,1036 2.23,1037 6.08,1038 7.531,1040 11.159,1041 5.743,1042 8.926,1043 0.214,1044 11.017,1045 1.992,1046 6.711,1047 8.553,1049 13.167,1050 6.278,1051 10.395,1052 -0.356,1053 12.864,1054 0.611,1055 8.163,1056 10.396,1058 15.913,1059 7.673,1060 11.889,1061 -0.578,1062 14.737,1063 -0.916,1064 9.149,1065 11.774,1067 18.246,1068 8.574,1069 13.403,1070 -1.015,1071 16.629,1072 -1.507,1073 10.437,1074 13.455,1076 20.851,1077 9.797,1078 3.501,1079 -1.216,1080 18.536,1081 -2.836,1082 11.567,1083 14.979,1085 23.316,1086 10.848,1087 2.967,1088 13.088,1089 20.453,1090 -3.321,1091 12.806,1092 16.613,1094 25.882,1095 12.019,1096 2.775,1097 10.506,1098 22.38,1099 5.163,1100 13.996,1101 18.196,1103 28.402,1104 13.133,1105 2.179,1106 9.712,1107 24.314,1108 4.158,1109 15.226,1110 19.821,1112 30.96,1113 14.292,1114 1.766,1115 7.296,1116 26.254,1117 4.025,1118 16.442,1119 21.432,1121 33.505,1122 15.433,1123 1.732,1124 5.327,1125 28.199,1126 2.913,1127 17.674,1128 23.059,1130 36.065,1131 16.593,1132 1.33,1133 5.008,1134 30.148,1135 2.469,1136 18.904,1137 24.683,1139 38.621,1140 17.748,1141 3186,1142 5880,1143 16.531,1144 22.739,1145 38.453,1146 41.003,1147 39.897,1148 38.603,1149 38.412,1150 53.382,1152 124.911,1153 34.949,1154 5.814,1155 5.936,1156 6.783,1157 5.597,1158 5.501,1159 8.163,1161 21.088,1162 5.217,1163 7.247,1164 1.602,1165 1.708,1166 1.662,1167 1.608,1168 1.6,1169 2.224,1171 5.205,1172 1.456,1173 4.285,1174 4.325,1175 4.457,1176 4.193,1177 5.288,1178 4.176,1179 3.829,1180 3.872,1181 4.003,1182 3.711,1183 4.953,1184 3.707,1185 3.598,1186 3.661,1187 3.83,1188 3.414,1189 4.566,1190 3.405,1191 3.231,1192 3.271,1193 3.365,1194 3.174,1195 4.046,1196 3.116,1197 2.806,1198 2.889,1199 3.288,1200 2.788,1201 4.015,1202 2.664,1203 2.595,1204 2.633,1205 3.096,1206 2.627,1207 3.907,1208 2.464,1209 2.515,1210 2.543,1211 2.676,1212 2.476,1213 3.462,1214 2.368,1215 2.362,1216 2.459,1217 2.297,1218 2.131,1219 3.302,1220 2.144,1221 0.207,1222 0.164,1223 0.304,1224 0.184,1225 0.146,1226 4.976,1227 0.215,1228 3.936,1230 7.295,1231 0.545,1232 4.424,1233 0.135,1234 3.501,1235 5.163,1237 13.088,1238 3.244,1239 1.948,1240 1.916,1241 1.946,1242 2.116,1243 1.253,1244 2.078,1245 1.552,1246 1.525,1247 1.8,1248 1.719,1249 1.119,1250 1.756,1251 1.515,1252 1.469,1253 1.557,1254 1.592,1255 0.928,1256 1.615,1257 1.293,1258 1.253,1259 1.198,1260 1.514,1261 0.358,1262 1.482,1263 1.106,1264 1.067,1265 1.078,1266 1.354,1267 0.188,1268 1.317,1269 0.774,1270 0.726,1271 0.77,1272 1.039,1274 1,1275 0.701,1276 0.674,1277 0.732,1278 0.763,1280 0.824,1281 0.197,1282 0.1,1283 0.533,1284 0.485,1286 0.573,1287 3.892,1289 5.303,1290 3.714,1291 6.905,1292 6.107,1293 8.609,1294 8.233,1295 10.378,1303 3.433,1304 8.811,1314 21.217,1315 52.288,1316 101.096,1317 116.606,1318 124.606,1319 126.606,1320 128.606,1321 19.466,1322 7.878,1323 60.38,1324 166.22,1325 26,1326 13.02,1327 4.248,1328 3.322,1329 23.402,1330 49,1331 38,1332 0.267,1333 135.913,1334 199.15,1335 323.389,1336 25287,1338 13.43,1339 0.672,1340 0.636,1341 14.784,1342 12.713,1343 9.754,1344 0.406,1345 0.33,1346 6.248,1347 8.436,1348 6.03,1349 4.888,1350 10.74,1351 7.91,1352 9.423,1353 0.248,1354 0.177,1355 10.781,1356 6.716,1357 8.978,1358 0.15,1359 0.094,1360 10.465,1361 5.66,1362 8.639,1363 0.092,1364 0.052,1365 10.401,1366 4.909,1367 6.852,1368 0.056,1369 0.028,1370 8.535,1371 3.414,1372 0.38,1373 71.197,1374 0.246,1375 18.661,1376 0.87,1377 124,1378 356.926,1379 191.404,1380 402.519,1381 569.2,1382 376,1383 160,1384 423.07,1385 221.279,1386 451.203,1387 682.65,1388 426,1389 5.1}
{0 CHEMBL1969561,1 1.527,2 9.214,3 3.618,4 13.093,5 111.315,6 7.49,7 0.677,8 4.017,9 4.15,10 3.6,11 3.551,12 5.146,13 3.533,14 4.53,15 4.718,16 3.954,17 3.935,18 5.57,19 3.905,20 4.73,21 4.93,22 3.995,23 4.059,24 5.778,25 3.998,26 4.886,27 5.117,28 4.022,29 4.047,30 6.015,31 3.985,32 4.824,33 5.066,34 3.995,35 3.98,36 5.908,37 3.947,38 4.738,39 4.932,40 4.048,41 4.03,42 5.896,43 4.007,44 4.855,45 5.076,46 3.96,47 4.099,48 5.933,49 4.02,50 4.85,51 5.084,52 3.808,53 4.108,54 5.851,55 3.972,56 0.086,57 0.802,58 10.034,59 4.269,60 10.006,61 5.74,62 0.187,63 1.249,64 18.696,65 6.654,66 15.949,67 9.515,68 0.209,69 1.443,70 23.416,71 8.505,72 24.789,73 12.068,74 0.408,75 1.558,76 29.703,77 9.423,78 61,79 13.578,80 0.398,81 1.469,82 28.755,83 7.984,84 58.191,85 11.626,86 0.324,87 1.498,88 23.756,89 6.888,90 38.665,91 9.824,92 0.397,93 1.565,94 27.897,95 9.28,96 48.24,97 13.031,98 0.344,99 1.467,100 28.164,101 11.205,102 49.603,103 15.701,104 20,105 44,106 0.254,107 0.614,108 0.756,109 0.822,110 0.832,111 0.832,112 3.376,113 0.893,114 -4.13,115 -4.07,116 -3.85,119 42,120 2,124 1,125 1,127 1,142 8,143 3,145 1,146 1,152 2,158 1,166 2,168 1,172 10,174 2,175 5,180 2,183 11,187 2,188 9,193 2,196 5,199 4,200 17,205 1,213 17,221 1,224 1,225 15,228 1,233 6,237 2,238 5,241 2,246 14,249 2,250 2,253 2,258 17,264 1,269 1,272 10,276 1364,277 18.913,278 18.913,279 18.913,280 18.913,281 18.913,282 16.399,283 16.518,284 11.065,285 19.168,286 15.274,287 15.274,288 15.274,289 15.274,290 15.274,291 11.462,292 25.201,293 5.23,294 15.656,295 4.117,296 1.951,297 1.1,298 0.7,299 0.645,300 0.645,301 4.068,305 1,306 1,307 561,308 3.674,311 145.238,312 162.576,315 113.497,319 1.444,320 20.979,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 60,332 258,333 4.618,334 3.754,335 6.959,336 4.247,337 3.275,338 4.429,339 1.2,340 11.73,341 3.182,342 4.389,343 3.079,344 6.25,345 3.91,346 2.929,347 4.193,348 0.522,349 9.348,350 2.87,351 3.919,352 2.91,353 6.085,354 3.652,355 2.699,356 3.451,357 0.293,358 8.508,359 2.575,360 3.874,361 2.683,362 5.723,363 3.523,364 2.535,365 3.16,367 7.726,368 2.501,369 3.574,370 2.483,371 5.327,372 3.191,373 2.214,374 2.884,376 6.66,377 2.158,378 3.041,379 2.206,380 4.779,381 2.762,382 1.758,383 2.301,385 4.765,386 1.755,387 3.034,388 1.59,389 4.449,390 2.518,391 1.534,392 2.155,394 4.27,395 1.507,396 2.914,397 1.534,398 4.296,399 2.469,400 1.479,401 2.024,403 3.756,404 1.463,405 2.751,406 1.332,407 3.763,408 2.262,409 1.291,410 1.863,412 2.991,413 1.251,414 2.512,415 1.078,416 3.584,417 2,418 1.025,419 1.518,421 2.363,422 1,423 2.5,424 1.036,425 3.435,426 1.99,427 1,428 1.5,430 2.283,431 0.987,432 2.298,433 1.004,434 3.247,435 1.888,436 0.917,437 1.186,439 2.136,440 0.887,441 1.903,442 1,443 3.063,444 1.433,445 0.455,446 0.634,448 1.089,449 0.442,450 1.655,451 0.445,452 2.951,453 1.327,454 0.322,455 0.421,457 0.746,458 0.32,459 1.244,460 0.185,461 2.73,462 0.917,463 -0.071,464 -0.089,466 -0.186,467 -0.069,468 13.233,469 0.473,470 0.716,471 0.026,472 37.25,473 1.33,474 19.5,475 0.696,476 17.75,477 0.634,478 23.077,479 0.824,480 29.367,481 0.587,482 28.921,483 1.033,484 7.501,485 0.268,486 6.04,487 0.216,488 0.139,490 0.363,496 0.594,497 1.163,498 0.759,499 1.053,500 0.57,501 0.95,502 0.829,503 1.118,504 0.782,505 0.897,506 0.606,507 0.834,508 0.899,509 1.176,510 0.968,511 1.121,512 0.854,513 1.062,514 1.234,515 1.127,516 0.965,517 1.035,518 1.516,519 0.983,520 1.776,521 0.987,522 0.916,523 0.692,524 1.933,525 0.692,526 1.634,527 1.119,528 1.165,529 0.958,530 1.351,531 0.976,532 1.296,533 0.901,534 1.181,535 1.023,536 1.362,537 1.075,538 0.671,539 0.898,540 1.056,541 1.148,542 0.982,543 1.17,544 5,545 0.105,546 3.333,547 1.819,548 1.569,549 1.097,550 0.914,551 0.546,552 0.368,553 0.249,554 9037,555 22582,556 2.094,557 44,559 14,561 1,562 1,564 6,567 1.719,568 1.953,569 3.192,570 -0.323,572 1,577 76.337,578 1.527,579 3.693,580 4.543,581 4.943,582 4.999,583 4.999,584 2.683,585 4.522,586 4.777,587 3.365,588 1271.98,589 8.356,590 16460.8,592 1,594 1,595 282.193,596 1.432,597 4.736,598 0.161,599 0.007,600 0.076,601 0.041,602 0.036,603 0.025,604 0.02,605 0.013,606 0.011,607 0.01,608 0.4,609 0.33,610 1,611 1.088,612 137.903,613 0.189,614 0.034,615 0.074,616 -0.029,617 0.001,618 -0.007,619 0.061,620 -0.004,621 0.126,622 0.089,623 0.041,624 0.114,625 0.029,626 -0.119,627 -0.043,628 -0.126,629 0.008,630 -0.098,631 0.078,632 -0.146,633 0.043,634 -0.08,635 0.043,636 -0.035,637 -0.257,638 0.003,639 0.126,640 0.229,641 -0.157,642 0.229,643 -0.278,644 0.029,645 -0.208,646 -0.056,647 -0.084,648 -0.106,649 -0.131,650 0.138,651 -0.213,652 -0.065,653 -0.113,654 -0.135,655 0.136,656 0.031,657 -0.107,658 -0.099,659 0.027,660 -0.136,661 1.766,662 6.273,663 0.714,664 24.929,665 1,666 1.13,667 2.899,668 8.407,669 0.672,670 3.466,671 3.807,672 4.111,673 4.382,674 4.564,675 4.7,676 4.875,677 5.037,678 5.106,679 5.182,680 5.868,681 0.641,682 374.49,683 3.466,684 5.017,685 5.883,686 6.772,687 7.658,688 8.555,689 9.45,690 10.353,691 11.253,692 12.159,693 12,700 1,701 2,703 3,708 2,709 9,710 3,711 1,714 4,715 1,716 21,724 1,735 50,737 22,738 2,739 31,741 53,742 21,743 15,744 4,745 8,746 1,748 4,749 5,754 2,760 1,762 16,763 5,767 1,772 1,776 1,780 1,783 22,784 5,785 1,786 7,792 6,797 0.75,798 1,807 1,815 2,816 2,819 1,843 3,847 3,851 28,858 1,863 1,864 1,871 1,874 2,877 1,881 14.333,882 10,883 6.111,884 2.998,886 3.732,887 1.495,888 0.994,889 4.971,890 11.275,891 3.773,892 4.407,893 5.043,894 5.663,895 6.128,896 6.507,897 7.004,898 7.504,899 7.818,900 8.199,901 1,902 44,903 10.332,905 4.383,906 7.679,907 19.747,909 16.121,911 2.179,912 61,914 1,915 1,916 247.193,917 134.316,918 71.43,920 25.145,923 134.316,924 272.338,925 71.43,926 26.047,927 5.23,928 75.81,929 91.487,930 39.188,931 4.901,932 235.422,934 247.193,935 205.747,936 25.145,939 176.567,940 95.772,943 53.124,944 102.756,945 49.867,947 247.193,948 96.575,949 134.316,952 247.193,953 23.412,954 115.805,955 16.663,956 75.011,957 247.193,958 96.575,959 134.316,961 0.586,962 0.35,963 0.185,964 0.094,965 22,966 10,967 0.094,968 5,969 1,970 1.1,971 3.873,972 252.99,973 0.1,974 20,975 125.851,981 18.392,982 7.568,983 3.591,984 1.901,985 78.136,986 17.547,987 12.75,988 2.94,991 2.971,992 1.686,993 16.663,994 478.085,995 42.5,1000 13.273,1004 -0.099,1007 50.007,1008 56.521,1009 0.271,1010 0.654,1011 0.805,1012 0.876,1013 0.886,1014 0.886,1015 5.006,1016 1.479,1017 5.878,1018 4.27,1019 4.489,1020 5.094,1021 1.487,1022 6.718,1023 4.441,1024 6.226,1025 1.291,1026 7.458,1027 3.756,1028 4.111,1029 4.89,1030 0.325,1031 7.687,1032 4.031,1033 7.54,1034 1.025,1035 9.141,1036 2.991,1037 6.107,1038 7.336,1039 1.543,1040 10.823,1041 6.005,1042 8.895,1043 1,1044 10.886,1045 2.363,1046 6.581,1047 8.015,1048 0.653,1049 12.647,1050 6.441,1051 10.284,1052 0.917,1053 12.67,1054 2.283,1055 8.038,1056 9.893,1057 1.746,1058 15.308,1059 7.879,1060 11.698,1061 0.455,1062 14.482,1063 2.136,1064 8.883,1065 10.983,1066 1.001,1067 17.483,1068 8.687,1069 13.131,1070 0.322,1071 16.314,1072 1.089,1073 10.141,1074 12.627,1075 1.994,1076 19.995,1077 9.924,1078 3.275,1079 -0.071,1080 18.162,1081 0.746,1082 11.155,1083 13.914,1084 1.37,1085 22.325,1086 10.904,1087 2.929,1088 11.73,1089 20.022,1090 -0.186,1091 12.34,1092 15.458,1093 2.264,1094 24.791,1095 12.066,1096 2.699,1097 9.348,1098 21.892,1099 4.429,1100 13.431,1101 16.84,1102 1.754,1103 27.189,1104 13.125,1105 2.535,1106 8.508,1107 23.77,1108 4.193,1109 14.594,1110 18.341,1111 2.551,1112 29.644,1113 14.262,1114 2.214,1115 7.726,1116 25.655,1117 3.451,1118 15.722,1119 19.769,1120 2.143,1121 32.074,1122 15.36,1123 1.758,1124 6.66,1125 27.547,1126 3.16,1127 16.881,1128 21.252,1129 2.851,1130 34.528,1131 16.492,1132 1.534,1133 4.765,1134 29.444,1135 2.884,1136 18.03,1137 22.702,1138 2.535,1139 36.973,1140 17.611,1141 8634,1142 13818,1143 20.69,1144 33.58,1145 47.576,1146 48.109,1147 48.337,1148 46.886,1149 46.869,1150 63.436,1151 4.029,1152 136.741,1153 45.797,1154 5.476,1155 5.754,1156 6.761,1157 5.274,1158 5.275,1159 7.429,1160 2.293,1161 19.196,1162 5.182,1163 13.28,1164 1.535,1165 1.552,1166 1.559,1167 1.512,1168 1.512,1169 2.046,1170 0.13,1171 4.411,1172 1.477,1173 4.13,1174 4.172,1175 4.098,1176 4.021,1177 7.428,1178 4.033,1179 3.966,1180 4.016,1181 3.922,1182 3.86,1183 5.128,1184 3.86,1185 3.824,1186 3.866,1187 3.767,1188 3.656,1189 5.016,1190 3.687,1191 3.666,1192 3.744,1193 3.547,1194 3.471,1195 4.736,1196 3.476,1197 3.318,1198 3.386,1199 3.238,1200 3.136,1201 4.331,1202 3.152,1203 3.225,1204 3.313,1205 3.061,1206 2.996,1207 4.294,1208 2.996,1209 3.04,1210 3.11,1211 2.898,1212 2.893,1213 3.816,1214 2.883,1215 2.921,1216 3.009,1217 2.788,1218 2.758,1219 3.802,1220 2.757,1221 0.149,1222 0.121,1223 0.224,1224 0.137,1225 0.106,1226 4.618,1227 0.143,1228 3.754,1229 0.039,1230 6.959,1231 0.378,1232 4.247,1233 0.103,1234 3.275,1235 4.429,1236 1.2,1237 11.73,1238 3.182,1239 1.957,1240 1.936,1241 2.048,1242 2.042,1243 1.2,1244 2.042,1245 1.912,1246 1.882,1247 2.022,1248 2.004,1249 1.152,1250 2.012,1251 1.709,1252 1.65,1253 1.939,1254 1.92,1255 1.131,1256 1.926,1257 1.485,1258 1.434,1259 1.64,1260 1.702,1261 0.788,1262 1.685,1263 1.312,1264 1.23,1265 1.552,1266 1.643,1267 0.638,1268 1.593,1269 1.242,1270 1.175,1271 1.465,1272 1.508,1273 0.494,1274 1.52,1275 1.167,1276 1.078,1277 1.417,1278 1.397,1279 0.469,1280 1.386,1281 0.934,1282 0.848,1283 1.342,1284 1.239,1285 0.406,1286 1.308,1287 4.143,1289 5.476,1290 3.045,1291 6.999,1292 5.352,1293 8.606,1294 7.413,1295 10.26,1297 5.775,1303 0.481,1308 0.066,1309 1.708,1314 32.058,1315 76.337,1316 184.644,1317 227.173,1318 247.173,1319 249.928,1320 249.928,1321 45.283,1322 7.542,1323 79.7,1324 79.7,1325 22,1326 12.678,1327 4.524,1328 3.644,1329 42.003,1330 92,1331 105,1332 0.212,1333 198.124,1334 327.21,1335 475.183,1336 17903,1338 19.673,1339 0.703,1340 0.576,1341 19.673,1342 16.125,1343 13.542,1344 0.437,1345 0.298,1346 9.095,1347 13.011,1348 8.775,1349 7.37,1350 13.542,1351 9.224,1352 12.305,1353 0.28,1354 0.162,1355 12.305,1356 7.112,1357 10.694,1358 0.178,1359 0.082,1360 10.694,1361 4.921,1362 8.722,1363 0.11,1364 0.039,1365 8.722,1366 3.078,1367 6.585,1368 0.069,1369 0.021,1370 6.585,1371 1.989,1372 0.321,1373 84.887,1374 0.22,1375 26.244,1376 0.618,1377 150,1378 418.294,1379 163.649,1380 412.623,1381 575.62,1382 386,1383 179,1384 444.364,1385 195.202,1386 450.856,1387 655.12,1388 422,1389 5.1}
{0 CHEMBL1969664,1 1.571,2 10.76,3 2.417,4 5.842,5 94.054,6 7.777,7 0.571,8 3.885,9 3.994,10 3.493,11 3.43,12 5.037,13 3.428,14 4.417,15 4.576,16 3.837,17 3.831,18 5.476,19 3.809,20 4.651,21 4.842,22 3.874,23 3.972,24 5.69,25 3.909,26 4.712,27 4.954,28 3.794,29 3.937,30 5.746,31 3.843,32 4.611,33 4.841,34 3.723,35 3.819,36 5.696,37 3.75,38 4.485,39 4.707,40 3.562,41 3.698,42 5.602,43 3.614,44 4.343,45 4.599,46 3.333,47 3.476,48 5.486,49 3.374,50 4.006,51 4.219,52 3.115,53 3.238,54 5.091,55 3.157,56 0.049,57 0.644,58 8.155,59 3.711,60 12.178,61 4.579,62 0.245,63 1.046,64 15.957,65 6.094,66 19.516,67 7.763,68 0.293,69 1.271,70 21.365,71 8.155,72 29.116,73 10.77,74 0.314,75 1.32,76 24.539,77 9.001,78 42.824,79 12.706,80 0.283,81 1.152,82 22.493,83 7.953,84 42.018,85 10.786,86 0.236,87 1.045,88 19.116,89 6.895,90 39.638,91 9.38,92 0.323,93 0.863,94 17.922,95 6.088,96 54.635,97 8.639,98 0.217,99 0.644,100 11.758,101 4.186,102 26.188,103 5.641,104 6,105 39,106 0.271,107 0.677,108 0.8,109 0.846,110 0.846,111 0.846,112 3.267,113 0.883,114 -2.42,115 -2.45,116 -2.4,119 44.2,125 5,142 5,143 4,145 1,146 1,152 1,153 1,158 1,172 7,175 5,179 1,180 4,183 7,187 1,188 5,193 3,196 6,199 1,200 4,203 2,205 5,208 4,213 4,218 4,221 4,225 3,228 1,230 2,233 4,237 2,238 3,241 1,246 3,250 2,253 2,258 1,264 4,276 895,277 17.317,278 17.317,279 17.317,280 17.317,281 17.317,282 15.382,283 16.484,284 10.251,285 17.744,286 13.793,287 13.793,288 13.793,289 13.793,290 13.793,291 10.759,292 18.276,293 4.835,294 14.474,295 3.855,296 1.496,297 0.782,298 0.512,299 0.512,300 0.512,301 3.968,304 1,305 1,306 1,307 593,308 2.449,311 54.157,312 223.534,315 101.386,319 1.728,320 23.19,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 54,332 269,333 4.694,334 4.058,335 6.915,336 4.244,337 3.267,338 4.645,339 2.035,340 11.627,341 3.192,342 4.077,343 3.308,344 5.835,345 3.671,346 2.707,347 3.682,348 0.916,349 8.063,350 2.619,351 3.905,352 3.023,353 5.573,354 3.499,355 2.533,356 3.327,357 0.86,358 7.62,359 2.45,360 3.65,361 2.616,362 5.253,363 3.269,364 2.316,365 2.95,366 0.172,367 6.609,368 2.197,369 3.393,370 2.48,371 5.082,372 3.06,373 2.09,374 2.505,376 6.099,377 2.018,378 3.213,379 2.232,380 4.894,381 2.718,382 1.789,383 2.361,385 5.219,386 1.652,387 2.991,388 2.047,389 4.595,390 2.489,391 1.523,392 2.194,394 4.444,395 1.473,396 2.905,397 1.983,398 3.6,399 2.265,400 1.395,401 1.5,403 3.035,404 1.202,405 2.5,406 1.518,407 3.481,408 1.959,409 1,410 1.441,412 2.275,413 0.956,414 2.441,415 1.256,416 3.414,417 1.952,418 1,419 1.174,421 2.136,422 0.946,423 2.075,424 1,425 3.247,426 1.68,427 0.714,428 1,430 1.749,431 0.688,432 2,433 0.724,434 2.921,435 1.394,436 0.448,437 0.742,439 0.782,440 0.422,441 1.341,442 0.422,443 2.804,444 1.018,445 0.074,446 0.09,448 0.178,449 0.07,450 1.021,451 0.148,452 2.491,453 0.613,454 -0.311,455 -0.393,457 -0.711,458 -0.284,459 0.677,460 -0.279,461 2.377,462 0.31,463 -0.64,464 -0.766,466 -1.494,467 -0.602,468 11.767,469 0.471,470 0.516,471 0.021,472 34.25,473 1.37,474 17.5,475 0.7,476 16.75,477 0.67,478 17.749,479 0.71,480 26.033,481 0.605,482 24.075,483 0.963,484 6.805,485 0.272,486 5.436,487 0.217,488 0.062,490 0.331,496 0.942,497 1.263,498 0.756,499 1.022,500 0.702,501 0.886,502 1.141,503 1.01,504 0.927,505 0.867,506 0.569,507 0.859,508 1.01,509 1.092,510 1.042,511 1.045,512 0.728,513 1.05,514 0.608,515 0.936,516 0.887,517 0.991,518 0.698,519 0.98,520 1.089,521 0.986,522 0.911,523 0.921,524 1.078,525 0.894,526 0.987,527 1.107,528 1.066,529 1.114,530 1.017,531 1.104,532 0.769,533 0.836,534 0.909,535 0.899,536 0.671,537 0.922,538 0.999,539 0.994,540 1.102,541 1.034,542 1.35,543 1.082,544 4.5,545 0.086,546 2.222,547 1.917,548 1.352,549 0.695,550 0.522,551 0.247,552 0.206,553 0.135,554 7633,555 20690,556 2.154,557 41.9,559 15,561 1,562 2,567 1.678,568 2.055,569 3.375,570 0.273,571 1,572 1,574 1,577 67.56,578 1.571,579 3.93,580 4.645,581 4.915,582 4.915,583 4.915,584 2.919,585 4.054,586 4.612,587 3.537,588 1061.03,589 7.964,590 12822.2,592 1,594 1,595 233.329,596 1.26,597 4.592,598 0.161,599 0.005,600 0.057,601 0.049,602 0.039,603 0.021,604 0.019,605 0.012,606 0.012,607 0.008,608 0.382,609 0.5,610 1,611 0.663,612 120.908,613 -0.091,614 -0.141,615 0.041,616 -0.018,617 -0.017,618 0.024,619 -0.124,620 0.071,621 -0.041,622 0.105,623 -0.009,624 0.057,625 -0.091,626 -0.076,627 -0.12,628 -0.06,629 -0.019,630 -0.091,631 0.113,632 0.038,633 0.084,634 -0.007,635 0.108,636 0.028,637 -0.089,638 -0.041,639 0.087,640 0.066,641 -0.044,642 0.099,643 -0.071,644 -0.126,645 -0.097,646 -0.142,647 -0.04,648 -0.128,649 0.162,650 0.099,651 0.12,652 0.075,653 0.269,654 0.086,655 0.008,656 0.001,657 -0.131,658 -0.07,659 -0.137,660 -0.122,661 1.599,662 4.281,663 0.84,664 23.232,665 1.006,666 1.124,667 1.19,668 1.415,669 0.681,670 3.367,671 3.689,672 3.989,673 4.29,674 4.533,675 4.585,676 4.754,677 4.868,678 4.883,679 4.942,680 6.262,681 0.656,682 334.41,683 3.367,684 4.905,685 5.765,686 6.65,687 7.53,688 8.424,689 9.313,690 10.212,691 11.107,692 12.01,693 9.3,696 1,701 1,702 1,703 1,708 2,709 6,710 1,711 1,714 5,716 16,718 1,732 1,735 43,737 17,738 1,739 28,741 46,742 19,743 13,744 3,745 3,748 4,749 5,761 1,762 13,763 5,779 1,780 1,783 18,784 5,785 2,786 6,792 4,797 0.75,798 2,809 1,811 1,815 1,816 3,819 1,839 1,842 1,843 3,851 25,857 1,858 5,861 1,864 1,866 1,870 1,872 1,874 4.7,876 1,878 1,881 12.167,882 7.717,883 5.528,884 2.551,886 3.381,887 1.45,888 0.992,889 4.31,890 10.9,891 3.664,892 4.259,893 4.912,894 5.563,895 6.152,896 6.561,897 7.07,898 7.492,899 7.737,900 8.077,901 1,902 39,903 9.216,905 3.965,906 7.767,907 17.648,909 14.704,911 2.267,912 56.667,915 1,916 188.338,917 105.563,918 67.755,920 53.683,923 105.563,924 242.021,925 67.755,927 15.502,928 47.381,929 98.842,930 74.903,931 2.144,932 176.567,934 188.338,935 173.318,936 53.683,939 188.338,940 42.683,941 11,943 78.275,944 78.257,945 16.786,947 188.338,948 121.438,949 105.563,952 188.338,953 32.532,954 59.553,955 33.387,956 101.528,957 188.338,958 121.438,959 105.563,961 0.576,962 0.343,963 0.193,964 0.109,965 20,966 8,967 0.065,968 3,969 1,970 1.095,971 3.788,972 210.581,973 0.095,974 21,975 112.096,981 15.952,982 6.755,983 3.19,984 1.579,985 104.652,986 11.077,987 4.532,988 2.941,991 3.062,993 59.469,994 415.338,995 38,1007 43.247,1008 48.318,1009 0.29,1010 0.724,1011 0.856,1012 0.906,1013 0.906,1014 0.906,1015 4.905,1016 1.395,1017 5.74,1018 4.444,1019 4.369,1020 4.945,1021 2.507,1022 6.555,1023 4.285,1024 6.116,1025 1,1026 7.294,1027 3.035,1028 3.892,1029 4.745,1030 0.325,1031 7.459,1032 3.795,1033 7.426,1034 1,1035 8.948,1036 2.275,1037 5.958,1038 7.197,1039 3.62,1040 10.592,1041 5.817,1042 8.773,1043 0.714,1044 10.665,1045 2.136,1046 6.33,1047 7.898,1048 0.393,1049 12.397,1050 6.184,1051 10.156,1052 0.448,1053 12.424,1054 1.749,1055 7.844,1056 9.793,1057 4.973,1058 15.058,1059 7.66,1060 11.566,1061 0.074,1062 14.214,1063 0.782,1064 8.628,1065 10.928,1066 0.384,1067 17.254,1068 8.438,1069 12.998,1070 -0.311,1071 16.029,1072 0.178,1073 9.92,1074 12.6,1075 6.38,1076 19.767,1077 9.698,1078 3.267,1079 -0.64,1080 17.865,1081 -0.711,1082 10.908,1083 13.948,1084 0.351,1085 22.123,1086 10.675,1087 2.707,1088 11.627,1089 19.717,1090 -1.494,1091 12.114,1092 15.529,1093 7.797,1094 24.592,1095 11.855,1096 2.533,1097 8.063,1098 21.583,1099 4.645,1100 13.201,1101 16.977,1102 0.312,1103 27.009,1104 12.926,1105 2.316,1106 7.62,1107 23.461,1108 3.682,1109 14.378,1110 18.524,1111 9.217,1112 29.465,1113 14.081,1114 2.09,1115 6.609,1116 25.348,1117 3.327,1118 15.512,1119 20.018,1120 0.273,1121 31.904,1122 15.196,1123 1.789,1124 6.099,1125 27.244,1126 2.95,1127 16.683,1128 21.555,1129 10.638,1130 34.358,1131 16.345,1132 1.523,1133 5.219,1134 29.147,1135 2.505,1136 17.84,1137 23.07,1138 0.236,1139 36.805,1140 17.482,1141 7178,1142 11934,1143 19.186,1144 29.262,1145 43.118,1146 44.78,1147 42.802,1148 41.735,1149 41.709,1150 55.219,1151 7.967,1152 119.672,1153 39.768,1154 5.694,1155 6.058,1156 6.717,1157 5.347,1158 5.267,1159 7.645,1160 4.069,1161 18.778,1162 5.192,1163 9.028,1164 1.54,1165 1.599,1166 1.529,1167 1.491,1168 1.49,1169 1.972,1170 0.285,1171 4.274,1172 1.42,1173 4.15,1174 4.178,1175 4.122,1176 4.068,1177 6.82,1178 4.077,1179 3.886,1180 3.934,1181 3.816,1182 3.77,1183 6.473,1184 3.775,1185 3.72,1186 3.77,1187 3.617,1188 3.526,1189 4.938,1190 3.54,1191 3.496,1192 3.536,1193 3.454,1194 3.354,1195 4.756,1196 3.373,1197 3.147,1198 3.208,1199 3.046,1200 2.987,1201 4.618,1202 2.993,1203 3.111,1204 3.206,1205 2.908,1206 2.941,1207 4.086,1208 2.91,1209 3.002,1210 3.058,1211 2.866,1212 2.814,1213 3.963,1214 2.817,1215 2.833,1216 2.897,1217 2.733,1218 2.605,1219 3.792,1220 2.637,1221 0.168,1222 0.145,1223 0.247,1224 0.152,1225 0.117,1226 4.694,1227 0.166,1228 4.058,1229 0.073,1230 6.915,1231 0.415,1232 4.244,1233 0.114,1234 3.267,1235 4.645,1236 2.035,1237 11.627,1238 3.192,1239 1.97,1240 1.95,1241 2.043,1242 2.053,1243 1.259,1244 2.052,1245 1.859,1246 1.823,1247 1.984,1248 2.002,1249 1.171,1250 1.999,1251 1.679,1252 1.624,1253 1.869,1254 1.897,1255 1.014,1256 1.889,1257 1.432,1258 1.395,1259 1.548,1260 1.659,1261 0.825,1262 1.627,1263 1.206,1264 1.167,1265 1.513,1266 1.381,1267 0.701,1268 1.429,1269 1.153,1270 1.064,1271 1.356,1272 1.376,1273 0.446,1274 1.374,1275 1.005,1276 0.942,1277 1.193,1278 1.251,1279 0.26,1280 1.233,1281 0.821,1282 0.757,1283 1.078,1284 1.038,1285 0.169,1286 1.059,1287 4.043,1289 5.361,1290 2.398,1291 6.882,1292 4.844,1293 8.492,1294 7.034,1295 10.149,1302 10.281,1303 4.255,1306 5.367,1309 2.336,1312 9.106,1313 2.13,1314 28.203,1315 67.56,1316 168.991,1317 199.72,1318 211.329,1319 211.329,1320 211.329,1321 36.835,1322 7.519,1323 85.17,1324 85.17,1325 23,1326 12.532,1327 4.17,1328 3.459,1329 36.06,1330 93,1331 96,1332 0.19,1333 172.274,1334 292.94,1335 412.11,1336 18875,1338 17.225,1339 0.689,1340 0.548,1341 17.225,1342 13.697,1343 12.242,1344 0.437,1345 0.294,1346 8.119,1347 11.755,1348 7.971,1349 6.539,1350 12.242,1351 8.246,1352 10.822,1353 0.277,1354 0.158,1355 10.822,1356 6.161,1357 9.387,1358 0.177,1359 0.085,1360 9.387,1361 4.499,1362 8.068,1363 0.112,1364 0.044,1365 8.068,1366 3.19,1367 6.725,1368 0.073,1369 0.024,1370 6.725,1371 2.209,1372 0.299,1373 76.855,1374 0.228,1375 24.372,1376 0.52,1377 134,1378 387.153,1379 145.643,1380 377.706,1381 515.49,1382 354,1383 159,1384 373.906,1385 171.256,1386 382.267,1387 558.71,1388 359,1389 5.1}
{0 CHEMBL1969735,1 1.76,2 10.733,3 4.172,4 17.405,5 114.578,6 8.538,7 0.667,8 4.033,9 4.15,10 3.708,11 3.567,12 5.225,13 3.568,14 4.543,15 4.711,16 4.118,17 3.959,18 5.727,19 3.948,20 4.789,21 4.974,22 4.217,23 4.108,24 5.967,25 4.066,26 4.962,27 5.221,28 4.14,29 4.096,30 6.029,31 4.033,32 4.724,33 4.935,34 4.137,35 4.056,36 5.806,37 4.017,38 4.765,39 4.956,40 4.262,41 4.109,42 6.042,43 4.078,44 4.785,45 4.978,46 4.144,47 4.097,48 5.944,49 4.019,50 4.739,51 4.972,52 3.953,53 3.888,54 5.902,55 3.799,56 0.11,57 0.848,58 8.148,59 4.091,60 12.955,61 4.95,62 0.359,63 1.337,64 17.127,65 6.803,66 36.912,67 8.575,68 0.451,69 1.617,70 23.308,71 9.051,72 44.422,73 11.525,74 0.849,75 1.618,76 37.319,77 10.435,78 95.41,79 14.013,80 0.408,81 1.459,82 24.019,83 8.256,84 37.124,85 11.135,86 0.622,87 1.578,88 22.919,89 7.505,90 56.146,91 9.77,92 0.438,93 1.525,94 27.076,95 9.425,96 37.68,97 12.053,98 0.592,99 1.387,100 29.677,101 8.912,102 58.374,103 11.796,104 30,105 48,106 0.293,107 0.665,108 0.81,109 0.842,110 0.842,111 0.842,112 3.441,113 0.884,114 -4.18,115 -4.12,116 -3.9,119 42,120 2,123 1,125 2,142 5,143 1,144 1,145 2,146 2,147 1,150 1,151 1,152 1,161 1,172 6,174 2,175 4,178 2,180 2,183 5,187 3,188 6,193 4,196 2,199 1,200 8,204 1,205 1,208 1,212 1,213 9,216 1,221 3,224 2,225 7,228 3,230 1,233 6,238 5,243 2,246 4,249 1,250 6,253 1,255 4,258 1,264 2,267 1,272 4,276 1614,277 20.024,278 20.024,279 20.024,280 20.024,281 20.024,282 17.448,283 12.213,284 11.465,285 20.615,286 16.186,287 16.186,288 16.186,289 16.186,290 16.186,291 12.325,292 15.508,293 5.361,294 17.285,295 3.884,296 1.657,297 0.782,298 0.59,299 0.59,300 0.59,301 4.134,303 1,305 1,306 1,307 688,308 3.674,311 61.314,312 248.232,315 119.644,319 1.551,320 34.798,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 65.833,332 322,333 4.763,334 3.402,335 7.059,336 4.292,337 3.348,338 4.72,339 0.4,340 12.197,341 3.168,342 4.193,343 3.228,344 6.69,345 4.169,346 3.179,347 3.783,349 10.767,350 3.148,351 4.13,352 2.978,353 6.206,354 3.659,355 2.728,356 3.667,358 9.054,359 2.572,360 4.044,361 2.879,362 5.873,363 3.602,364 2.656,365 3.222,367 8.184,368 2.462,369 3.727,370 2.642,371 5.378,372 3.263,373 2.348,374 3.145,376 6.879,377 2.13,378 3.482,379 2.351,380 5.036,381 3.062,382 2.132,383 2.824,385 6.009,386 1.967,387 3.182,388 2.016,389 4.938,390 2.677,391 1.788,392 2.435,394 5.312,395 1.55,396 3.016,397 1.558,398 4.418,399 2.467,400 1.526,401 2.266,403 4.029,404 1.431,405 2.733,406 1.377,407 4.167,408 2.218,409 1.283,410 1.837,412 3.398,413 1.184,414 2.605,415 1.193,416 3.642,417 2.067,418 1.127,419 1.655,421 2.661,422 1.055,423 2.5,424 1.141,425 3.539,426 2,427 1,428 1.5,430 2.275,431 1,432 2.184,433 1,434 3.453,435 1.647,436 0.752,437 1.05,439 1.971,440 0.662,441 1.825,442 0.943,443 3.414,444 1.607,445 0.705,446 0.775,448 1.607,449 0.613,450 1.37,451 0.766,452 2.874,453 1.214,454 0.34,455 0.348,457 0.477,458 0.294,459 1.254,460 0.369,461 2.775,462 0.823,463 -0.069,464 -0.087,466 -0.162,467 -0.056,468 14.233,469 0.474,470 0.882,471 0.029,472 41,473 1.367,474 20.5,475 0.683,476 20.5,477 0.683,478 25.704,479 0.857,480 31.967,481 0.639,482 32.034,483 1.068,484 7.931,485 0.264,486 6.445,487 0.215,488 0.164,489 0.035,490 0.309,494 1,496 0.762,497 1.284,498 0.61,499 0.999,500 0.709,501 0.889,502 0.725,503 1,504 0.629,505 0.852,506 0.658,507 0.802,508 0.799,509 1.203,510 0.815,511 1.169,512 0.789,513 1.119,514 1.1,515 0.721,516 0.821,517 0.569,518 1.02,519 0.648,520 0.672,521 0.921,522 0.718,523 0.808,524 0.485,525 0.788,526 0.793,527 0.842,528 0.896,529 0.813,530 0.589,531 0.899,532 0.876,533 1.136,534 1.208,535 1.229,536 0.769,537 1.205,538 0.896,539 1.061,540 1.15,541 1.196,542 0.867,543 1.153,544 7,545 0.247,546 3.778,547 2.104,548 2.078,549 1.146,550 0.74,551 0.663,552 0.463,553 0.36,554 10686,555 34118,556 2.059,557 40,558 6,559 9,560 1,561 2,562 2,567 1.735,568 1.905,569 3.334,570 0.276,572 1,577 88.006,578 1.76,579 3.987,580 4.861,581 5.054,582 5.054,583 5.054,584 2.857,585 4.64,586 4.874,587 3.524,588 1532.78,589 8.542,590 20731.4,592 1,594 1,595 282.193,596 1.615,597 4.82,598 0.212,599 0.011,600 0.079,601 0.043,602 0.045,603 0.023,604 0.015,605 0.015,606 0.014,607 0.012,608 0.469,609 0.33,610 1,611 1.249,612 151.901,613 -0.087,614 -0.216,615 0.015,616 -0.052,617 -0.1,618 -0.003,619 0.045,620 0.025,621 0.109,622 0.08,623 0.032,624 0.107,625 0.032,626 -0.17,627 -0.011,628 -0.215,629 0.01,630 -0.179,631 -0.126,632 0.12,633 0.151,634 0.371,635 -0.104,636 0.345,637 -0.019,638 -0.026,639 0.113,640 0.128,641 0.01,642 0.173,643 0.019,644 0.17,645 -0.039,646 0.077,647 0.046,648 -0.023,649 -0.065,650 -0.183,651 -0.152,652 -0.227,653 -0.055,654 -0.23,655 0.061,656 -0.128,657 -0.047,658 -0.206,659 0.042,660 -0.154,661 1.996,662 5.454,663 0.7,664 29.307,665 1.017,666 1.136,667 2.95,668 8.703,669 0.688,670 3.526,671 3.892,672 4.159,673 4.443,674 4.754,675 4.913,676 5.088,677 5.273,678 5.371,679 5.389,680 6.349,681 0.665,682 426.92,683 3.526,684 5.094,685 5.953,686 6.855,687 7.742,688 8.653,689 9.554,690 10.471,691 11.38,692 12.301,693 12,698 1,701 1,703 4,708 1,709 8,710 4,714 7,716 22,728 1,734 2,735 50,737 22,738 1,739 33,741 53,742 21,743 16,744 2,745 4,748 4,749 5,750 1,754 3,755 1,762 16,763 5,780 1,781 1,783 20,784 7,785 2,786 9,787 1,789 1,792 6,797 0.75,798 1,799 1,806 1,810 1,815 1,816 3,819 1,841 1,843 3,847 2,848 1,849 1,851 30,857 1,858 2,860 1,865 1,873 2,874 2,875 1,881 15.75,882 9.652,883 6.5,884 2.82,886 4.259,887 1.542,888 0.965,889 5.589,890 12.113,891 3.807,892 4.469,893 5.102,894 5.765,895 6.402,896 6.845,897 7.36,898 7.887,899 8.273,900 8.611,901 1,902 49,903 11.057,905 4.761,906 7.906,907 20.699,909 16.955,911 2.406,912 72.194,915 1,916 211.88,917 121.543,918 86.439,919 39.149,920 42.683,921 14.96,923 121.543,924 293.712,925 101.399,926 17.65,927 2.106,928 99.112,929 110.41,930 37.201,931 73.607,932 176.567,934 211.88,935 207.982,936 57.643,937 39.149,939 226.84,941 42.683,943 48.265,944 74.564,945 85.153,946 39.149,947 226.84,948 129.123,949 160.691,952 211.88,953 29.369,954 93.46,955 18.011,956 163.934,957 211.88,958 144.083,959 160.691,961 0.592,962 0.34,963 0.172,964 0.104,965 24,966 11,967 0.113,968 6,969 1,970 1.095,971 3.977,972 279.11,973 0.095,974 21,975 141.207,981 20.517,982 8.172,983 4.258,984 0.475,985 142.796,986 12.831,987 17.659,991 2.976,993 60.694,994 516.654,995 44,1007 50.843,1008 56.805,1009 0.312,1010 0.706,1011 0.861,1012 0.895,1013 0.895,1014 0.895,1015 5.059,1016 1.526,1017 5.984,1018 5.312,1019 4.575,1020 5.156,1021 0.278,1022 6.853,1023 4.452,1024 6.307,1025 1.283,1026 7.585,1027 4.029,1028 4.369,1029 5.075,1031 8.04,1032 4.207,1033 7.646,1034 1.127,1035 9.292,1036 3.398,1037 6.271,1038 7.441,1039 0.05,1040 11.069,1041 6.061,1042 9.023,1043 1,1044 11.062,1045 2.661,1046 6.858,1047 8.171,1049 13.044,1050 6.621,1051 10.429,1052 0.752,1053 12.871,1054 2.275,1055 8.281,1056 10.041,1057 0.008,1058 15.672,1059 8.005,1060 11.858,1061 0.705,1062 14.707,1063 1.971,1064 9.202,1065 11.173,1067 17.944,1068 8.9,1069 13.305,1070 0.34,1071 16.563,1072 1.607,1073 10.459,1074 12.84,1075 0.001,1076 20.457,1077 10.121,1078 3.348,1079 -0.069,1080 18.434,1081 0.477,1082 11.525,1083 14.182,1085 22.849,1086 11.159,1087 3.179,1088 12.197,1089 20.316,1090 -0.162,1091 12.726,1092 15.765,1094 25.332,1095 12.324,1096 2.728,1097 10.767,1098 22.207,1099 4.72,1100 13.856,1101 17.213,1103 27.773,1104 13.423,1105 2.656,1106 9.054,1107 24.106,1108 3.783,1109 15.041,1110 18.767,1112 30.251,1113 14.571,1114 2.348,1115 8.184,1116 26.011,1117 3.667,1118 16.201,1119 20.266,1121 32.716,1122 15.696,1123 2.132,1124 6.879,1125 27.922,1126 3.222,1127 17.384,1128 21.812,1130 35.196,1131 16.841,1132 1.788,1133 6.009,1134 29.836,1135 3.145,1136 18.559,1137 23.336,1139 37.672,1140 17.978,1141 10406,1142 18785,1143 21.671,1144 34.375,1145 50.177,1146 51.389,1147 51.987,1148 49.925,1149 49.826,1150 66.454,1151 0.8,1152 149.642,1153 46.472,1154 5.627,1155 5.402,1156 6.609,1157 5.366,1158 5.348,1159 7.72,1160 0.8,1161 19.689,1162 5.168,1163 16.371,1164 1.521,1165 1.557,1166 1.575,1167 1.513,1168 1.51,1169 2.014,1170 0.024,1171 4.535,1172 1.408,1173 4.154,1174 4.198,1175 4.187,1176 4.011,1177 8.201,1178 4.035,1179 3.854,1180 3.901,1181 3.842,1182 3.76,1183 6.456,1184 3.767,1185 3.838,1186 3.882,1187 3.792,1188 3.677,1189 5.187,1190 3.684,1191 3.712,1192 3.765,1193 3.627,1194 3.567,1195 4.974,1196 3.577,1197 3.279,1198 3.333,1199 3.461,1200 3.118,1201 4.695,1202 3.138,1203 3.117,1204 3.206,1205 3.148,1206 2.876,1207 4.472,1208 2.887,1209 2.981,1210 3.063,1211 2.966,1212 2.813,1213 4.279,1214 2.801,1215 2.923,1216 3.009,1217 2.767,1218 2.735,1219 4.258,1220 2.715,1221 0.144,1222 0.103,1223 0.214,1224 0.13,1225 0.101,1226 4.763,1227 0.143,1228 3.402,1229 0.012,1230 7.059,1231 0.37,1232 4.292,1233 0.096,1234 3.348,1235 4.72,1236 0.4,1237 12.197,1238 3.168,1239 1.925,1240 1.898,1241 2.011,1242 2.07,1243 1.286,1244 2.045,1245 1.85,1246 1.808,1247 1.994,1248 1.984,1249 1.116,1250 1.978,1251 1.784,1252 1.73,1253 1.903,1254 1.966,1255 0.984,1256 1.97,1257 1.679,1258 1.634,1259 1.772,1260 1.854,1261 0.773,1262 1.843,1263 1.275,1264 1.237,1265 1.417,1266 1.46,1267 0.549,1268 1.44,1269 1.069,1270 0.978,1271 1.415,1272 1.348,1273 0.469,1274 1.346,1275 0.934,1276 0.836,1277 1.333,1278 1.299,1279 0.425,1280 1.315,1281 0.925,1282 0.821,1283 1.297,1284 1.239,1285 0.387,1286 1.308,1287 4.205,1289 5.557,1290 2.398,1291 7.101,1292 4.844,1293 8.728,1294 7.081,1295 10.399,1297 3.881,1298 6.266,1299 13.454,1302 9.466,1303 0.536,1305 3.164,1310 -0.318,1314 33.268,1315 88.006,1316 199.364,1317 243.073,1318 252.683,1319 252.683,1320 252.683,1321 56.857,1322 7.854,1323 88.23,1324 88.23,1325 23,1326 12.812,1327 4.524,1328 3.585,1329 46.711,1330 108,1331 132,1332 0.205,1333 207.655,1334 348.49,1335 498.439,1336 27276,1337 4,1338 21.303,1339 0.71,1340 0.574,1341 20.933,1342 17.228,1343 14.376,1344 0.436,1345 0.295,1346 9.222,1347 13.496,1348 8.922,1349 7.427,1350 14.271,1351 9.723,1352 13.582,1353 0.283,1354 0.167,1355 13.331,1356 8.027,1357 11.231,1358 0.178,1359 0.078,1360 11.179,1361 4.935,1362 8.835,1363 0.105,1364 0.037,1365 8.977,1366 3.14,1367 7.731,1368 0.067,1369 0.019,1370 7.751,1371 2.211,1372 0.314,1373 93.722,1374 0.215,1375 27.847,1376 0.586,1377 162,1378 535.023,1379 195.679,1380 525.57,1381 706.28,1382 490,1383 192,1384 498.838,1385 222.892,1386 511.355,1387 754.3,1388 479,1389 5.1}
{0 CHEMBL1969755,1 1.56,2 11.5,3 3.005,4 9.032,5 98.061,6 7.787,7 0.643,8 3.894,9 4.001,10 3.483,11 3.485,12 5.099,13 3.465,14 4.376,15 4.521,16 3.796,17 3.847,18 5.564,19 3.804,20 4.665,21 4.865,22 3.87,23 3.967,24 5.811,25 3.9,26 4.72,27 4.932,28 3.847,29 3.906,30 6.022,31 3.836,32 4.679,33 4.893,34 3.781,35 3.845,36 5.962,37 3.783,38 4.621,39 4.841,40 3.732,41 3.761,42 5.869,43 3.709,44 4.541,45 4.759,46 3.628,47 3.612,48 5.983,49 3.572,50 4.292,51 4.502,52 3.406,53 3.463,54 5.566,55 3.413,56 0.052,57 0.668,58 8.185,59 4.166,60 12.655,61 4.997,62 0.163,63 1.062,64 14.574,65 6.737,66 28.299,67 8.316,68 0.285,69 1.372,70 22.286,71 9.091,72 49.065,73 11.546,74 0.499,75 1.407,76 25.141,77 9.595,78 94.096,79 12.156,80 0.454,81 1.335,82 24.439,83 9.033,84 91.924,85 11.165,86 0.324,87 1.328,88 23.2,89 8.632,90 63.867,91 10.485,92 0.622,93 1.238,94 22.65,95 7.749,96 109.81,97 8.93,98 0.286,99 0.877,100 16.73,101 6.092,102 54.223,103 7.351,104 11,105 37,106 0.267,107 0.581,108 0.736,109 0.847,110 0.865,111 0.865,112 3.304,113 0.892,114 -4.12,115 -4.07,116 -3.85,119 46.7,121 1,125 1,127 1,142 10,143 4,144 1,145 2,158 1,172 14,175 3,178 1,180 2,183 17,188 2,192 1,193 3,196 12,200 4,205 5,208 5,213 4,216 1,218 6,221 4,225 4,230 5,233 5,238 5,243 5,246 7,250 1,255 1,258 9,263 1,267 1,269 1,272 10,276 1036,277 17.784,278 17.784,279 17.784,280 17.784,281 17.784,282 15.476,283 10.264,284 10.781,285 17.962,286 13.777,287 13.777,288 13.777,289 13.777,290 13.777,291 10.43,292 9.598,293 5.069,294 14.07,295 3.932,296 2.102,297 1.199,298 0.55,299 0.444,300 0.444,301 3.987,304 1,305 1,306 1,307 637,308 3.391,312 294.007,319 1.885,320 32.973,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 56.5,332 299,333 4.403,334 3.624,335 6.435,336 4.028,337 3.041,338 4.072,339 1.058,340 9.86,341 2.997,342 4.084,343 3.009,344 6.102,345 3.753,346 2.76,347 3.597,349 8.887,350 2.74,351 3.929,352 2.832,353 5.581,354 3.605,355 2.614,356 3.455,358 7.658,359 2.591,360 3.515,361 2.666,362 5.118,363 3.203,364 2.235,365 2.816,367 6.222,368 2.156,369 3.273,370 2.306,371 4.763,372 2.883,373 1.899,374 2.463,376 5.061,377 1.86,378 3.058,379 1.835,380 4.366,381 2.618,382 1.666,383 2.203,385 4.136,386 1.568,387 2.828,388 1.548,389 3.843,390 2.411,391 1.418,392 1.944,394 3.089,395 1.404,396 2.72,397 1.528,398 3.576,399 2.223,400 1.248,401 1.801,403 2.9,404 1.209,405 2.516,406 1.13,407 3.5,408 2.001,409 1.02,410 1.5,412 2.579,413 1,414 2.5,415 1.09,416 3.247,417 2,418 1,419 1.5,421 2.136,422 0.995,423 2.5,424 1,425 3.247,426 1.984,427 1,428 1.479,430 2.136,431 0.983,432 1.459,433 1,434 2.822,435 1.285,436 0.394,437 0.412,439 0.579,440 0.346,441 1.207,442 0.467,443 2.725,444 0.913,445 -0.043,446 -0.05,448 -0.111,449 -0.04,450 1.123,451 0.319,452 2.494,453 0.726,454 -0.263,455 -0.339,457 -0.598,458 -0.251,459 0.819,460 -0.166,461 2.268,462 0.391,463 -0.549,464 -0.711,466 -1.34,467 -0.512,468 12.252,469 0.471,470 0.503,471 0.019,472 35.25,473 1.356,474 19.5,475 0.75,476 15.75,477 0.606,478 18.266,479 0.703,480 27.348,481 0.608,482 26.622,483 1.024,484 7.35,485 0.283,486 5.319,487 0.205,488 0.078,490 0.286,494 1,496 0.681,497 0.973,498 0.752,499 0.939,500 0.641,501 0.877,502 0.714,503 1.037,504 0.92,505 1.055,506 0.682,507 1.037,508 0.86,509 1.029,510 0.963,511 1.036,512 0.851,513 1.022,514 0.961,515 1.024,516 0.967,517 1.052,518 1.018,519 1.026,520 1.199,521 1.057,522 1.035,523 0.993,524 1.261,525 0.982,526 1.359,527 1.228,528 1.026,529 1.062,530 1.326,531 0.988,532 1.712,533 1.093,534 1.161,535 0.925,536 1.756,537 0.923,538 1.409,539 0.958,540 1.029,541 0.885,542 1.466,543 0.883,544 4.5,545 0.099,546 2.444,547 1.688,548 1.076,549 0.854,550 0.588,551 0.38,552 0.193,553 0.123,554 8322,555 23990,556 2.059,557 42.2,559 13,561 2,562 2,564 2,567 1.689,568 1.95,569 3.493,570 0.213,571 1,572 1,577 70.184,578 1.56,579 3.39,580 4.292,581 4.942,582 5.047,583 5.047,584 2.95,585 3.639,586 4.67,587 3.645,588 1184.53,589 8.084,590 15116.8,592 1,594 1,595 247.133,596 1.3,597 4.642,598 0.161,599 0.006,600 0.066,601 0.044,602 0.031,603 0.026,604 0.019,605 0.014,606 0.008,607 0.006,608 0.382,609 0.33,610 1,611 0.721,612 128.647,613 -0.061,614 0.002,615 0.007,616 0.056,617 -0.07,618 0.049,619 -0.015,620 -0.069,621 -0.097,622 -0.075,623 -0.031,624 -0.1,625 -0.019,626 -0.054,627 -0.035,628 -0.06,629 -0.032,630 -0.052,631 0.108,632 -0.056,633 0.03,634 -0.074,635 0.092,636 -0.05,637 -0.038,638 -0.076,639 -0.02,640 -0.025,641 -0.028,642 -0.019,643 -0.107,644 -0.127,645 0.013,646 -0.082,647 -0.074,648 -0.021,649 -0.022,650 0.156,651 -0.047,652 0.057,653 -0.014,654 0.016,655 -0.172,656 -0.018,657 -0.001,658 0.084,659 -0.132,660 0.077,661 2.27,662 6.428,663 0.692,664 25.976,665 1.007,666 1.122,667 2.892,668 8.364,669 0.682,670 3.367,671 3.638,672 3.871,673 4.078,674 4.248,675 4.22,676 4.304,677 4.317,678 4.331,679 4.317,680 6.691,681 0.658,682 350.42,683 3.367,684 4.875,685 5.7,686 6.55,687 7.39,688 8.245,689 9.091,690 9.95,691 10.799,692 11.66,693 4.4,700 1,703 1,709 12,710 1,714 5,716 18,723 1,734 1,735 45,737 19,738 2,739 28,741 47,742 21,743 17,744 4,745 8,746 1,748 3,749 3,754 1,760 2,762 18,763 3,767 1,772 1,776 1,779 1,780 1,781 1,783 19,784 5,785 2,786 5,792 2,797 1,798 2,799 1,809 1,816 3,841 1,843 3,849 1,851 26,857 1,858 2,860 1,863 1,873 1,874 4.4,875 1,877 1,881 13.333,882 7.793,883 5.917,884 2.547,886 2.915,887 1.422,888 0.956,889 5.852,890 9.821,891 3.664,892 4.212,893 4.751,894 5.276,895 5.776,896 5.86,897 6.249,898 6.499,899 6.748,900 6.963,901 0.875,902 38,903 9.67,905 4.143,906 7.994,907 17.981,909 14.483,911 2.494,912 64.833,915 1,916 200.109,917 141.96,918 34.796,920 67.828,921 14.96,923 141.96,924 267.937,925 49.756,927 20.545,928 137.446,929 70.177,930 39.958,931 14.96,932 176.567,934 200.109,935 176.756,936 82.788,939 191.527,940 48.687,941 42.683,943 38.64,944 121.33,945 16.786,947 215.069,948 102.625,949 141.96,952 200.109,953 29.102,954 112.857,955 18.011,956 99.574,957 200.109,958 117.585,959 141.96,961 0.565,962 0.331,963 0.179,964 0.095,965 16,966 7,967 0.128,968 6,970 1,971 3.857,972 206.672,974 18,975 114.211,981 17.937,982 8.482,983 4.615,985 117.585,986 20.796,987 3.934,991 1.829,993 60.694,994 459.653,995 38,1000 12.401,1004 -0.543,1007 45.323,1008 50.492,1009 0.284,1010 0.617,1011 0.782,1012 0.9,1013 0.919,1014 0.919,1015 4.856,1016 1.248,1017 5.652,1018 3.089,1019 4.317,1020 4.898,1021 1.176,1022 6.405,1023 4.279,1024 6.035,1025 1.02,1026 7.174,1027 2.9,1028 3.761,1029 4.46,1031 7.195,1032 3.716,1033 7.31,1034 1,1035 8.797,1036 2.579,1037 5.849,1038 7.013,1039 1.255,1040 10.276,1041 5.786,1042 8.62,1043 1,1044 10.482,1045 2.136,1046 6.133,1047 7.397,1049 11.906,1050 6.064,1051 9.962,1052 0.394,1053 12.208,1054 2.136,1055 7.657,1056 9.4,1057 1.338,1058 14.477,1059 7.573,1060 11.327,1061 -0.043,1062 13.96,1063 0.579,1064 8.343,1065 10.203,1067 16.454,1068 8.252,1069 12.71,1070 -0.263,1071 15.733,1072 -0.111,1073 9.619,1074 11.934,1075 1.422,1076 18.838,1077 9.515,1078 3.041,1079 -0.549,1080 17.52,1081 -0.598,1082 10.505,1083 12.973,1085 20.969,1086 10.391,1087 2.76,1088 9.86,1089 19.317,1090 -1.34,1091 11.67,1092 14.553,1093 1.51,1094 23.281,1095 11.543,1096 2.614,1097 8.887,1098 21.124,1099 4.072,1100 12.657,1101 15.733,1103 25.483,1104 12.518,1105 2.235,1106 7.658,1107 22.937,1108 3.597,1109 13.774,1110 17.228,1111 1.599,1112 27.767,1113 13.622,1114 1.899,1115 6.222,1116 24.756,1117 3.455,1118 14.811,1119 18.492,1121 30.004,1122 14.646,1123 1.666,1124 5.061,1125 26.579,1126 2.816,1127 15.91,1128 19.94,1129 1.69,1130 32.279,1131 15.731,1132 1.418,1133 4.136,1134 28.406,1135 2.463,1136 16.974,1137 21.256,1139 34.534,1140 16.781,1141 8045,1142 13777,1143 18.781,1144 30.711,1145 40.997,1146 42.455,1147 41.937,1148 40.587,1149 40.59,1150 54.485,1151 2.117,1152 110.486,1153 39.698,1154 5.303,1155 5.624,1156 6.237,1157 5.063,1158 5.041,1159 7.072,1160 2.117,1161 16.639,1162 4.997,1163 10.962,1164 1.464,1165 1.516,1166 1.498,1167 1.45,1168 1.45,1169 1.946,1170 0.076,1171 3.946,1172 1.418,1173 4.018,1174 4.044,1175 3.976,1176 3.948,1177 8.201,1178 3.951,1179 3.919,1180 3.952,1181 3.844,1182 3.86,1183 7.429,1184 3.852,1185 3.76,1186 3.797,1187 3.708,1188 3.642,1189 6.456,1190 3.652,1191 3.59,1192 3.644,1193 3.48,1194 3.422,1195 4.919,1196 3.426,1197 3.197,1198 3.221,1199 3.127,1200 2.995,1201 4.751,1202 3.022,1203 3.019,1204 3.082,1205 2.845,1206 2.819,1207 4.548,1208 2.815,1209 2.9,1210 2.957,1211 2.831,1212 2.735,1213 4.089,1214 2.734,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.78,1220 2.715,1221 0.157,1222 0.129,1223 0.23,1224 0.144,1225 0.109,1226 4.403,1227 0.145,1228 3.624,1229 0.038,1230 6.435,1231 0.352,1232 4.028,1233 0.107,1234 3.041,1235 4.072,1236 1.058,1237 9.86,1238 2.997,1239 1.973,1240 1.952,1241 2.066,1242 2.062,1243 1.272,1244 2.061,1245 1.923,1246 1.893,1247 2.043,1248 2.011,1249 1.159,1250 2.026,1251 1.719,1252 1.686,1253 1.836,1254 1.867,1255 0.964,1256 1.859,1257 1.557,1258 1.503,1259 1.763,1260 1.751,1261 0.847,1262 1.757,1263 1.093,1264 1.067,1265 1.32,1266 1.359,1267 0.48,1268 1.318,1269 0.993,1270 0.931,1271 1.228,1272 1.255,1273 0.241,1274 1.276,1275 0.886,1276 0.821,1277 1.181,1278 1.068,1279 0.218,1280 1.107,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.043,1289 5.323,1291 6.806,1293 8.374,1295 9.984,1299 14.428,1302 9.531,1303 0.247,1305 2.693,1308 -0.482,1314 29.597,1315 70.184,1316 152.53,1317 193.159,1318 222.379,1319 227.133,1320 227.133,1321 59.967,1322 6.907,1323 62.22,1324 62.22,1325 18,1326 12.212,1327 4.322,1328 3.459,1329 44.452,1330 104,1331 96,1332 0.207,1333 183.535,1334 321.33,1335 439.585,1336 8822,1337 2.2,1338 18.355,1339 0.706,1340 0.542,1341 17.485,1342 14.1,1343 12.669,1344 0.452,1345 0.297,1346 8.231,1347 12.267,1348 8.073,1349 6.696,1350 12.258,1351 8.327,1352 10.839,1353 0.293,1354 0.161,1355 10.3,1356 5.973,1357 8.998,1358 0.191,1359 0.087,1360 8.612,1361 4.108,1362 7.365,1363 0.127,1364 0.047,1365 6.833,1366 2.746,1367 5.663,1368 0.082,1369 0.026,1370 5.441,1371 1.781,1372 0.328,1373 79.073,1374 0.231,1375 25.457,1376 0.556,1377 130,1378 435.974,1379 140.926,1380 399.302,1381 527.49,1382 372,1383 149,1384 365.569,1385 159.2,1386 368.689,1387 532.6,1388 347,1389 5.1}
{0 CHEMBL1969843,1 1.572,2 9.381,3 2.023,4 4.091,5 82.577,6 7.457,7 0.625,8 3.776,9 3.907,10 3.368,11 3.278,12 4.829,13 3.272,14 4.335,15 4.51,16 3.693,17 3.696,18 5.292,19 3.665,20 4.553,21 4.784,22 3.582,23 3.778,24 5.398,25 3.677,26 4.576,27 4.858,28 3.466,29 3.658,30 5.388,31 3.544,32 4.38,33 4.665,34 3.359,35 3.438,36 5.242,37 3.361,38 4.11,39 4.34,40 3.289,41 3.296,42 5.135,43 3.243,44 4.012,45 4.26,46 3.087,47 3.169,48 4.949,49 3.087,50 3.781,51 3.992,52 2.828,53 3.137,54 4.559,55 3.011,56 0.092,57 0.624,58 8.027,59 3.355,60 8.14,61 4.466,62 0.187,63 0.985,64 15.629,65 5.502,66 15.088,67 7.648,68 0.222,69 1.103,70 20.947,71 7.207,72 22.897,73 10.537,74 0.262,75 1.071,76 22.856,77 6.609,78 25.373,79 10.54,80 0.334,81 0.877,82 19.204,83 4.752,84 24.318,85 7.839,86 0.239,87 0.74,88 13.282,89 3.665,90 22.778,91 5.71,92 0.295,93 0.626,94 12.56,95 3.792,96 20.211,97 5.576,98 0.046,99 0.518,100 9.031,101 3.939,102 6.738,103 5.51,105 33,106 0.281,107 0.663,108 0.811,109 0.834,110 0.834,111 0.834,112 3.103,113 0.912,114 -3.11,115 -3.1,116 -2.99,119 39.5,121 2,122 1,125 3,142 3,143 2,145 1,146 1,151 1,152 1,166 2,168 1,172 6,174 1,175 5,180 2,183 5,188 10,193 2,196 2,200 11,205 1,212 1,213 6,221 1,224 2,228 1,233 4,237 3,241 2,246 6,250 1,258 4,264 3,269 1,276 537,277 14.74,278 14.74,279 14.74,280 14.74,281 14.74,282 13.072,283 9.057,284 8.859,285 15.052,286 11.909,287 11.909,288 11.909,289 11.909,290 11.909,291 9.387,292 5.988,293 4.271,294 12.379,295 3.676,296 1.537,297 0.704,298 0.579,299 0.579,300 0.579,301 3.808,304 1,305 1,306 1,307 446,308 2,311 99.611,312 118.01,315 81.465,319 1.601,320 12.229,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 45.5,332 197,333 4.47,334 3.038,335 6.306,336 4.009,337 3.027,338 4.392,339 0.86,340 9.639,341 2.974,342 4.186,343 2.834,344 6.033,345 3.752,346 2.784,347 3.845,349 8.731,350 2.692,351 3.693,352 2.625,353 5.542,354 3.515,355 2.533,356 3.03,358 7.53,359 2.486,360 3.376,361 2.321,362 5.048,363 3.098,364 2.134,365 2.458,367 6.089,368 2.055,369 3.034,370 1.904,371 4.407,372 2.518,373 1.534,374 2.301,376 4.277,377 1.507,378 2.815,379 1.534,380 4.194,381 2.407,382 1.495,383 1.932,385 3.745,386 1.362,387 2.537,388 1.379,389 3.578,390 2.215,391 1.291,392 1.551,394 2.979,395 1.177,396 2.399,397 1.2,398 3.432,399 1.986,400 1.025,401 1.389,403 2.359,404 0.982,405 2.181,406 1.04,407 3.274,408 1.969,409 1,410 1.03,412 2.136,413 0.963,414 2,415 0.704,416 3.247,417 1.678,418 0.698,419 1,421 1.691,422 0.682,423 1.888,424 0.397,425 3.031,426 1.366,427 0.394,428 0.587,430 0.981,431 0.382,432 1.009,433 0.016,434 2.761,435 0.837,436 -0.109,437 -0.119,439 -0.288,440 -0.103,441 0.777,442 -0.522,443 2.466,444 0.341,445 -0.651,446 -0.853,448 -1.743,449 -0.645,450 0.573,451 -0.629,452 2.112,453 0.076,454 -0.897,455 -1,457 -2.251,458 -0.863,459 0.203,460 -0.784,461 1.611,462 0.009,463 -0.946,464 -1.044,466 -2.347,467 -0.884,468 9.833,469 0.468,470 0.376,471 0.018,472 25.75,473 1.226,474 12,475 0.571,476 13.75,477 0.655,478 15.666,479 0.746,480 22.567,481 0.594,482 15.509,483 0.739,484 4.943,485 0.235,486 5.439,487 0.259,490 0.295,496 0.686,497 1.112,498 0.746,499 1.088,500 0.609,501 0.956,502 1.251,503 1.168,504 0.965,505 1.025,506 0.984,507 0.974,508 0.995,509 1.138,510 1.053,511 1.125,512 0.914,513 1.112,514 0.878,515 1.067,516 0.948,517 0.964,518 0.884,519 0.956,520 1.137,521 0.879,522 0.904,523 0.668,524 1.172,525 0.721,526 1.02,527 1.112,528 1.088,529 1.043,530 1.237,531 1.055,532 0.924,533 0.633,534 1.055,535 0.873,536 1.087,537 0.966,538 0.482,539 1.083,540 1.052,541 1.339,542 0.702,543 1.302,544 3.5,545 0.04,546 1.778,547 0.917,548 0.769,549 0.348,550 0.321,551 0.122,552 0.056,553 0.078,554 5126,555 12463,556 2.246,557 44.7,559 9,560 1,561 1,562 1,564 5,567 1.626,568 2.211,569 3.236,570 -0.244,571 1,572 1,574 1,577 59.721,578 1.572,579 3.711,580 4.544,581 4.669,582 4.669,583 4.669,584 2.701,585 4.107,586 4.365,587 3.374,588 708.442,589 7.449,590 7553.57,591 1,592 1,594 1,595 199.421,596 0.863,597 4.366,598 0.146,599 0.004,600 0.054,601 0.033,602 0.032,603 0.016,604 0.016,605 0.008,606 0.004,607 0.006,608 0.319,609 0.67,610 1,612 95.579,613 0.198,614 0.12,615 0.095,616 -0.023,617 0.215,618 0.007,619 -0.157,620 -0.068,621 -0.054,622 0.001,623 -0.034,624 -0.014,625 -0.123,626 -0.163,627 -0.111,628 -0.105,629 -0.046,630 -0.111,631 -0.064,632 -0.143,633 0.045,634 -0.015,635 0.004,636 0.028,637 -0.083,638 0.061,639 0.128,640 0.225,641 -0.092,642 0.217,643 0.034,644 -0.031,645 -0.124,646 -0.137,647 -0.021,648 -0.15,649 0.193,650 0.377,651 -0.064,652 0.054,653 0.039,654 -0.034,655 0.009,656 -0.09,657 -0.182,658 -0.223,659 -0.124,660 -0.232,661 0.759,662 1.891,663 0.952,664 16.653,665 1.004,666 1.137,667 1.878,668 3.529,669 0.659,670 3.219,671 3.526,672 3.807,673 4.078,674 4.22,675 4.29,676 4.443,677 4.564,678 4.564,679 4.625,680 5.633,681 0.631,682 283.37,683 3.219,684 4.745,685 5.595,686 6.463,687 7.326,688 8.199,689 9.067,690 9.943,691 10.815,692 11.692,693 13.2,701 2,703 3,708 2,709 5,710 3,711 1,714 2,715 1,716 15,735 38,737 15,738 1,739 24,741 41,742 15,743 9,744 3,745 3,748 4,749 5,757 2,758 1,760 2,762 9,763 6,764 1,779 1,780 1,783 17,784 4,785 1,786 6,792 5,797 0.75,798 1,807 1,815 2,816 2,819 1,842 1,843 3,851 21,858 5,861 1,863 1,871 1,874 2.6,878 1,881 9.5,882 6.717,883 4.556,884 2.379,886 2.947,887 1.414,888 1.016,889 3.356,890 10.066,891 3.481,892 4.086,893 4.707,894 5.328,895 5.748,896 6.168,897 6.642,898 7.084,899 7.271,900 7.579,901 1,902 28,903 7.737,905 3.306,906 7.524,907 15.189,909 12.843,911 2.024,912 42.5,913 0.001,916 188.338,917 73.543,918 68.306,920 11,923 73.543,924 199.338,925 68.306,927 16.36,928 37.476,929 72.637,930 36.002,931 13.915,932 164.795,934 188.338,935 141.849,936 11,939 129.482,940 58.856,941 11,943 46.603,944 45.379,945 49.867,947 188.338,948 79.306,949 73.543,952 188.338,953 27.019,954 48.3,955 16.663,956 60.866,957 188.338,958 79.306,959 73.543,961 0.576,962 0.334,963 0.185,964 0.092,965 18,966 6,967 0.073,968 3,969 1,970 1.1,971 3.562,972 163.624,973 0.1,974 20,975 88.239,981 12.839,982 5.49,983 2.658,984 2.125,985 60.866,986 10.002,987 12.592,988 2.955,991 1.979,992 1.949,993 16.663,994 341.186,995 31.5,1007 38.138,1008 43.192,1009 0.299,1010 0.707,1011 0.866,1012 0.89,1013 0.89,1014 0.89,1015 4.698,1016 1.025,1017 5.549,1018 2.979,1019 4.205,1020 4.771,1021 0.908,1022 6.319,1023 4.138,1024 5.879,1025 1,1026 7.071,1027 2.359,1028 3.611,1029 4.477,1031 7.081,1032 3.546,1033 7.17,1034 0.698,1035 8.69,1036 2.136,1037 5.753,1038 6.989,1039 0.739,1040 10.176,1041 5.64,1042 8.501,1043 0.394,1044 10.368,1045 1.691,1046 6.043,1047 7.646,1049 11.794,1050 5.932,1051 9.869,1052 -0.109,1053 12.084,1054 0.981,1055 7.576,1056 9.537,1057 0.593,1058 14.345,1059 7.425,1060 11.263,1061 -0.651,1062 13.827,1063 -0.288,1064 8.274,1065 10.625,1067 16.308,1068 8.118,1069 12.676,1070 -0.897,1071 15.588,1072 -1.743,1073 9.55,1074 12.267,1075 0.469,1076 18.667,1077 9.362,1078 3.027,1079 -0.946,1080 17.363,1081 -2.251,1082 10.445,1083 13.555,1085 20.781,1086 10.247,1087 2.784,1088 9.639,1089 19.147,1090 -2.347,1091 11.609,1092 15.092,1093 0.366,1094 23.067,1095 11.384,1096 2.533,1097 8.731,1098 20.939,1099 4.392,1100 12.6,1101 16.475,1103 25.25,1104 12.362,1105 2.134,1106 7.53,1107 22.736,1108 3.845,1109 13.716,1110 17.969,1111 0.283,1112 27.509,1113 13.455,1114 1.534,1115 6.089,1116 24.538,1117 3.03,1118 14.755,1119 19.396,1121 29.725,1122 14.479,1123 1.495,1124 4.277,1125 26.344,1126 2.458,1127 15.852,1128 20.873,1129 0.217,1130 31.976,1131 15.556,1132 1.291,1133 3.745,1134 28.154,1135 2.301,1136 16.915,1137 22.322,1139 34.209,1140 16.603,1141 4697,1142 7444,1143 16.989,1144 25.051,1145 36.284,1146 36.009,1147 35.705,1148 35.849,1149 35.832,1150 47.029,1151 1.72,1152 100.312,1153 34.526,1154 5.47,1155 5.038,1156 6.108,1157 5.084,1158 5.027,1159 7.392,1160 1.72,1161 16.128,1162 4.974,1164 1.512,1165 1.5,1166 1.488,1167 1.494,1168 1.493,1169 1.96,1170 0.072,1171 4.18,1172 1.439,1173 4.119,1174 4.162,1175 4.082,1176 4.012,1177 5.141,1178 4.023,1179 3.916,1180 3.981,1181 3.851,1182 3.734,1183 5.032,1184 3.745,1185 3.731,1186 3.788,1187 3.632,1188 3.521,1189 4.607,1190 3.549,1191 3.313,1192 3.382,1193 3.23,1194 3.107,1195 4.332,1196 3.127,1197 3.111,1198 3.206,1199 2.915,1200 2.941,1201 3.877,1202 2.91,1203 3.065,1204 3.13,1205 2.866,1206 2.873,1207 3.763,1208 2.871,1209 2.918,1210 2.987,1211 2.793,1212 2.725,1213 3.474,1214 2.736,1215 2.562,1216 2.667,1217 2.366,1218 2.262,1219 3.448,1220 2.266,1221 0.186,1222 0.127,1223 0.263,1224 0.167,1225 0.126,1226 4.47,1227 0.183,1228 3.038,1229 0.036,1230 6.306,1231 0.402,1232 4.009,1233 0.124,1234 3.027,1235 4.392,1236 0.86,1237 9.639,1238 2.974,1239 1.951,1240 1.93,1241 2.046,1242 2.032,1243 1.418,1244 2.037,1245 1.828,1246 1.778,1247 2.02,1248 2.006,1249 1.174,1250 2.012,1251 1.434,1252 1.378,1253 1.612,1254 1.705,1255 0.825,1256 1.675,1257 1.31,1258 1.229,1259 1.513,1260 1.643,1261 0.816,1262 1.594,1263 1.211,1264 1.149,1265 1.465,1266 1.427,1267 0.52,1268 1.429,1269 1.153,1270 1.064,1271 1.361,1272 1.376,1273 0.406,1274 1.399,1275 0.858,1276 0.784,1277 1.129,1278 1.178,1279 0.261,1280 1.165,1281 0.791,1282 0.698,1283 1.05,1284 1.068,1285 0.092,1286 1.081,1287 3.892,1289 5.198,1290 3.045,1291 6.691,1292 5.283,1293 8.265,1294 7.273,1295 9.882,1303 4.864,1306 5.391,1308 0.643,1314 23.983,1315 59.721,1316 141.003,1317 172.666,1318 177.421,1319 177.421,1320 177.421,1321 22.885,1322 7.119,1323 68.62,1324 68.62,1325 22,1326 12.231,1327 4,1328 3.087,1329 28.192,1330 71,1331 65,1332 0.195,1333 145.485,1334 233.87,1335 346.744,1336 11728,1338 14.071,1339 0.67,1340 0.557,1341 14.071,1342 11.697,1343 10.382,1344 0.433,1345 0.304,1346 7.173,1347 9.869,1348 7.069,1349 5.812,1350 10.382,1351 7.297,1352 9.203,1353 0.279,1354 0.168,1355 9.203,1356 5.554,1357 7.97,1358 0.181,1359 0.092,1360 7.97,1361 4.061,1362 6.817,1363 0.118,1364 0.049,1365 6.817,1366 2.815,1367 5.099,1368 0.076,1369 0.028,1370 5.099,1371 1.844,1372 0.307,1373 65.768,1374 0.243,1375 21.045,1376 0.53,1377 114,1378 318.649,1379 125.565,1380 306.769,1381 428.54,1382 290,1383 134,1384 328.195,1385 147.121,1386 328.919,1387 475.69,1388 309,1389 5.1}
{0 CHEMBL1969879,1 1.602,2 7.955,3 0.854,4 0.73,5 84.36,6 7.056,7 0.417,8 3.867,9 4.005,10 3.383,11 3.298,12 4.937,13 3.293,14 4.441,15 4.649,16 3.746,17 3.718,18 5.431,19 3.685,20 4.699,21 4.922,22 3.846,23 3.904,24 5.735,25 3.834,26 4.854,27 5.104,28 3.792,29 3.973,30 5.772,31 3.871,32 4.915,33 5.19,34 3.686,35 3.964,36 5.799,37 3.83,38 4.83,39 5.108,40 3.618,41 3.867,42 5.743,43 3.737,44 4.683,45 4.947,46 3.469,47 3.681,48 5.728,49 3.56,50 4.484,51 4.783,52 3.083,53 3.343,54 5.51,55 3.206,56 0.051,57 0.668,58 9.793,59 3.318,60 9.55,61 5.117,62 0.332,63 1.047,64 18.976,65 5.547,66 25.298,67 8.742,68 0.413,69 1.259,70 24.888,71 7.425,72 52.4,73 11.881,74 0.466,75 1.35,76 29.902,77 8.679,78 50.851,79 13.722,80 0.539,81 1.316,82 32.615,83 9.451,84 61.154,85 14.987,86 0.451,87 1.2,88 29.899,89 8.452,90 52.805,91 13.687,92 0.477,93 1.004,94 25.974,95 7.131,96 60.799,97 11.276,98 0.446,99 0.72,100 22.129,101 5.217,102 53.12,103 8.738,104 19,105 34,106 0.282,107 0.65,108 0.868,109 0.885,110 0.885,111 0.885,112 3.148,113 0.939,114 -2.84,115 -2.85,116 -2.76,119 34.9,120 1,121 1,122 1,124 1,125 3,127 1,142 1,143 1,147 1,148 1,151 1,158 1,161 1,172 3,174 3,175 5,178 1,180 2,183 1,187 1,188 6,191 2,199 1,200 3,203 2,208 1,212 2,213 4,218 1,221 3,225 3,228 1,230 2,233 2,237 2,238 3,241 1,243 3,250 1,253 1,255 1,263 1,267 1,269 1,276 602,277 14.853,278 14.853,279 14.853,280 14.853,281 14.853,282 13.591,283 16.238,284 8.555,285 15.238,286 11.722,287 11.722,288 11.722,289 11.722,290 11.722,291 9.738,292 21.865,293 3.904,294 12.333,295 3.824,296 1.738,297 0.5,298 0.407,299 0.407,300 0.407,301 3.823,305 1,306 1,307 373,308 3.162,311 44.131,312 124.694,315 83.292,319 1.236,320 22.797,323 1,324 1,325 1,326 1,327 0.5,328 1,329 1,330 0.93,331 48.5,332 175,333 4.557,334 3.735,335 6.803,336 4.155,337 3.205,338 4.474,339 2.035,340 11.145,341 3.045,342 4.068,343 3.347,344 6.326,345 3.88,346 2.917,347 3.209,348 0.8,349 9.522,350 2.809,351 3.81,352 2.889,353 5.956,354 3.568,355 2.605,356 3.038,357 0.642,358 8.26,359 2.505,360 3.429,361 2.382,362 5.45,363 3.122,364 2.173,365 2.607,366 0.129,367 6.65,368 2.051,369 3.048,370 2.039,371 4.576,372 2.489,373 1.551,374 2.321,376 4.315,377 1.461,378 2.708,379 1.614,380 4.15,381 2.479,382 1.533,383 1.726,385 3.624,386 1.437,387 2.56,388 1.547,389 4.091,390 2.383,391 1.414,392 1.522,394 3.489,395 1.357,396 2.5,397 1.425,398 3.658,399 1.947,400 1,401 1.5,403 2.361,404 0.945,405 2.103,406 1.046,407 3.396,408 1.865,409 0.916,410 1.032,412 2.222,413 0.867,414 1.723,415 1,416 3.068,417 1.329,418 0.399,419 0.526,421 0.979,422 0.37,423 1.471,424 0.458,425 2.634,426 1.164,427 0.245,428 0.272,430 0.348,431 0.22,432 0.964,433 0.137,434 2.491,435 0.806,436 -0.186,437 -0.203,439 -0.391,440 -0.181,441 0.772,442 -0.281,443 2.283,444 0.316,445 -0.608,446 -0.793,448 -1.49,449 -0.559,450 0.5,451 -0.502,452 2.107,453 0.112,454 -0.829,455 -0.847,457 -2.428,458 -0.776,459 0.2,460 -0.587,461 1.81,462 -0.067,463 -1,464 -1.29,466 -2.46,467 -0.931,468 10.167,469 0.462,470 0.559,471 0.025,472 25.5,473 1.159,474 10,475 0.455,476 15.5,477 0.705,478 19.63,479 0.892,480 25.233,481 0.587,482 17.698,483 0.804,484 4.924,485 0.224,486 5.69,487 0.259,488 0.164,490 0.374,496 0.886,497 1.757,498 0.842,499 1.315,500 0.72,501 1.1,502 0.881,503 1.038,504 0.892,505 0.902,506 0.672,507 0.887,508 0.736,509 1.259,510 0.949,511 1.138,512 0.614,513 1.084,514 0.96,515 1.016,516 1.074,517 1.068,518 0.947,519 1.084,520 0.927,521 0.913,522 1.016,523 0.983,524 0.949,525 1.015,526 0.874,527 0.965,528 0.968,529 0.996,530 0.845,531 0.995,532 1.112,533 0.98,534 1.093,535 1.071,536 1.283,537 1.087,538 1.288,539 0.778,540 1.052,541 0.837,542 1.252,543 0.893,544 4,545 0.032,546 3.333,547 1.625,548 1.217,549 0.903,550 0.448,551 0.268,552 0.131,553 0.091,554 4433,555 12266,556 2.043,557 48.8,558 3,559 11,560 1,561 1,562 2,564 3,567 1.65,568 1.886,569 3.018,570 0.393,572 1,574 1,577 68.878,578 1.602,579 3.688,580 4.926,581 5.019,582 5.019,583 5.019,584 2.461,585 4.096,586 4.434,587 3.135,588 724.201,589 7.643,590 7765.13,592 1,595 233.329,596 1.495,597 4.376,598 0.167,599 0.011,600 0.098,601 0.045,602 0.037,603 0.031,604 0.017,605 0.012,606 0.009,607 0.01,608 0.437,609 0.5,610 1,611 1.055,612 99.178,613 -0.086,614 -0.413,615 0.051,616 -0.132,617 -0.055,618 -0.035,619 0.013,620 0.157,621 0.055,622 0.131,623 0.004,624 0.103,625 0.099,626 -0.151,627 -0.011,628 -0.093,629 0.156,630 -0.075,631 -0.085,632 0.015,633 -0.118,634 -0.07,635 -0.09,636 -0.097,637 -0.051,638 0.019,639 -0.051,640 0.002,641 -0.09,642 -0.022,643 -0.031,644 -0.036,645 -0.004,646 -0.019,647 -0.032,648 -0.005,649 -0.05,650 -0.054,651 -0.103,652 -0.113,653 -0.075,654 -0.122,655 -0.114,656 0.039,657 -0.023,658 0.039,659 -0.06,660 0.032,661 1.93,662 4.776,663 0.682,664 14.182,665 1.005,666 1.145,667 1.608,668 2.585,669 0.629,670 3.219,671 3.555,672 3.871,673 4.111,674 4.29,675 4.357,676 4.419,677 4.431,678 4.369,679 4.382,680 4.973,681 0.599,682 303.41,683 3.219,684 4.762,685 5.631,686 6.518,687 7.404,688 8.296,689 9.188,690 10.082,691 10.976,692 11.871,693 11.6,699 1,700 1,701 1,703 2,708 2,709 3,710 2,711 1,714 1,716 10,730 1,735 43,737 11,739 24,741 45,742 15,743 6,748 3,749 4,754 2,757 2,758 1,760 2,762 7,763 8,764 1,767 1,772 1,776 1,779 1,780 1,783 21,784 6,785 2,786 7,792 5,797 0.667,798 2,799 1,810 1,811 1,815 1,816 2,819 1,830 1,841 1,843 2,847 2,851 22,857 1,858 4,863 2,864 2,874 4.7,875 1,877 1,881 11.667,882 8.083,883 4.917,884 2.56,886 2.067,887 1.302,888 0.93,889 4.317,890 8.901,891 3.434,892 3.994,893 4.576,894 5.12,895 5.536,896 5.825,897 6.156,898 6.456,899 6.276,900 6.491,901 1,902 36,903 8.151,905 3.461,906 7.811,907 15.62,909 12.96,911 2.311,912 50.833,916 223.651,917 62.431,918 56.605,920 67.828,923 62.431,924 291.479,925 56.605,926 17.222,927 9.87,928 61.207,929 76.907,930 31.101,931 14.099,932 200.109,934 223.651,935 119.036,936 67.828,939 188.338,940 60.458,941 42.683,943 45.815,944 39.65,945 33.571,947 223.651,948 124.433,949 62.431,952 223.651,953 18.067,954 50.612,955 16.786,956 101.399,957 223.651,958 124.433,959 62.431,961 0.584,962 0.364,963 0.191,964 0.097,965 17,966 8,967 0.067,968 3,969 1,970 1.133,971 3.307,972 176.789,973 0.133,974 15,975 98.107,981 15.254,982 6.226,983 2.841,984 1.784,985 107.648,986 5.364,987 8.635,988 3.09,991 0.862,993 59.469,994 410.515,995 30,1000 11.776,1004 -0.209,1007 43.232,1008 49.232,1009 0.295,1010 0.68,1011 0.908,1012 0.925,1013 0.925,1014 0.925,1015 4.687,1016 1,1017 5.631,1018 3.489,1019 4.234,1020 4.677,1021 2.284,1022 6.482,1023 4.137,1024 5.874,1025 0.916,1026 7.223,1027 2.361,1028 3.892,1029 4.511,1030 1.738,1031 7.483,1032 3.769,1033 7.181,1034 0.399,1035 8.918,1036 2.222,1037 5.866,1038 6.848,1039 3.221,1040 10.602,1041 5.677,1042 8.524,1043 0.245,1044 10.672,1045 0.979,1046 6.365,1047 7.584,1048 3.296,1049 12.414,1050 6.145,1051 9.904,1052 -0.186,1053 12.463,1054 0.348,1055 7.807,1056 9.404,1057 4.458,1058 15.056,1059 7.527,1060 11.309,1061 -0.608,1062 14.279,1063 -0.391,1064 8.665,1065 10.555,1066 4.822,1067 17.188,1068 8.349,1069 12.733,1070 -0.829,1071 16.112,1072 -1.49,1073 9.911,1074 12.181,1075 5.792,1076 19.669,1077 9.54,1078 3.205,1079 -1,1080 17.957,1081 -2.428,1082 10.926,1083 13.524,1084 6.307,1085 21.942,1086 10.511,1087 2.917,1088 11.145,1089 19.812,1090 -2.46,1091 12.1,1092 15.073,1093 7.166,1094 24.366,1095 11.633,1096 2.605,1097 9.522,1098 21.674,1099 4.474,1100 13.183,1101 16.503,1102 7.765,1103 26.703,1104 12.669,1105 2.173,1106 8.26,1107 23.542,1108 3.209,1109 14.333,1110 18.021,1111 8.56,1112 29.108,1113 13.767,1114 1.551,1115 6.65,1116 25.415,1117 3.038,1118 15.448,1119 19.489,1120 9.206,1121 31.477,1122 14.833,1123 1.533,1124 4.315,1125 27.293,1126 2.607,1127 16.592,1128 20.995,1129 9.966,1130 33.877,1131 15.925,1132 1.414,1133 3.624,1134 29.174,1135 2.321,1136 17.723,1137 22.48,1138 10.639,1139 36.263,1140 17.005,1141 4396,1142 7394,1143 15.72,1144 27.029,1145 36.455,1146 37.15,1147 38.284,1148 35.861,1149 35.919,1150 44.453,1151 7.212,1152 105.829,1153 34.133,1154 5.557,1155 5.735,1156 6.358,1157 5.235,1158 5.205,1159 7.474,1160 3.579,1161 18.665,1162 4.984,1163 11.261,1164 1.519,1165 1.548,1166 1.595,1167 1.494,1168 1.497,1169 1.852,1170 0.301,1171 4.41,1172 1.422,1173 4.099,1174 4.15,1175 4.064,1176 3.951,1177 7.429,1178 3.974,1179 3.891,1180 3.949,1181 3.793,1182 3.737,1183 6.45,1184 3.74,1185 3.538,1186 3.581,1187 3.447,1188 3.294,1189 5.122,1190 3.326,1191 3.401,1192 3.483,1193 3.28,1194 3.176,1195 4.498,1196 3.189,1197 3.22,1198 3.308,1199 3.086,1200 2.993,1201 4.352,1202 3.006,1203 3.141,1204 3.232,1205 2.914,1206 2.9,1207 4.064,1208 2.886,1209 2.993,1210 3.097,1211 2.746,1212 2.789,1213 3.798,1214 2.763,1215 2.758,1216 2.848,1217 2.607,1218 2.522,1219 3.731,1220 2.537,1221 0.19,1222 0.156,1223 0.283,1224 0.173,1225 0.134,1226 4.557,1227 0.186,1228 3.735,1229 0.085,1230 6.803,1231 0.464,1232 4.155,1233 0.127,1234 3.205,1235 4.474,1236 2.035,1237 11.145,1238 3.045,1239 1.9,1240 1.85,1241 2.069,1242 2.081,1243 1.441,1244 2.076,1245 1.771,1246 1.726,1247 1.855,1248 1.955,1249 0.99,1250 1.93,1251 1.468,1252 1.4,1253 1.66,1254 1.724,1255 0.813,1256 1.705,1257 1.433,1258 1.389,1259 1.641,1260 1.684,1261 0.803,1262 1.678,1263 1.289,1264 1.199,1265 1.601,1266 1.534,1267 0.634,1268 1.563,1269 1.134,1270 1.043,1271 1.501,1272 1.42,1273 0.602,1274 1.451,1275 1.028,1276 0.927,1277 1.416,1278 1.281,1279 0.588,1280 1.334,1281 0.869,1282 0.79,1283 1.09,1284 1.123,1285 0.253,1286 1.121,1287 3.892,1289 5.22,1290 2.398,1291 6.756,1292 4.595,1293 8.384,1294 6.605,1295 10.061,1297 4.195,1302 9.079,1303 1.795,1308 0.606,1309 3.857,1314 25.751,1315 68.878,1316 158.574,1317 211.82,1318 215.82,1319 215.82,1320 215.82,1321 38.138,1322 6.834,1323 85.35,1324 85.35,1325 17,1326 12.397,1327 3.585,1328 2.807,1329 34.261,1330 65,1331 68,1332 0.264,1333 159.802,1334 268.56,1335 381.678,1336 7453,1338 15.69,1339 0.713,1340 0.585,1341 15.69,1342 12.859,1343 10.613,1344 0.442,1345 0.313,1346 7.365,1347 10.069,1348 7.158,1349 5.938,1350 10.613,1351 7.51,1352 9.409,1353 0.277,1354 0.173,1355 9.409,1356 5.879,1357 8.478,1358 0.18,1359 0.097,1360 8.478,1361 4.571,1362 6.762,1363 0.113,1364 0.053,1365 6.762,1366 3.176,1367 5.141,1368 0.071,1369 0.03,1370 5.141,1371 2.13,1372 0.398,1373 67.524,1374 0.252,1375 21.194,1376 0.773,1377 116,1378 340.799,1379 129.811,1380 324.314,1381 439.77,1382 304,1383 139,1384 318.687,1385 154.173,1386 321.644,1387 472.28,1388 301,1389 5.1}
{0 CHEMBL1970006,1 1.793,2 8.417,3 1.847,4 3.411,5 96.598,6 8.249,7 0.615,8 3.861,9 3.983,10 3.671,11 3.379,12 4.98,13 3.354,14 4.375,15 4.544,16 3.934,17 3.744,18 5.734,19 3.708,20 4.56,21 4.743,22 3.919,23 3.846,24 5.742,25 3.795,26 4.629,27 4.822,28 3.913,29 3.886,30 5.809,31 3.8,32 4.715,33 4.95,34 3.795,35 3.882,36 5.787,37 3.764,38 4.705,39 4.967,40 3.599,41 3.763,42 5.811,43 3.634,44 4.461,45 4.734,46 3.587,47 3.596,48 5.451,49 3.497,50 4.246,51 4.446,52 3.69,53 3.545,54 5.499,55 3.474,56 0.133,57 0.714,58 10.663,59 3.537,60 18.902,61 4.301,62 0.47,63 1.067,64 18.665,65 6.258,66 52.393,67 7.711,68 0.399,69 1.201,70 22.581,71 7.05,72 51.431,73 8.732,74 0.498,75 1.252,76 22.553,77 7.931,78 53.438,79 9.877,80 0.443,81 1.256,82 29.725,83 8.939,84 53.725,85 11.836,86 0.654,87 1.123,88 29.402,89 8.55,90 84.865,91 11.653,92 0.381,93 0.937,94 22.747,95 6.697,96 51.028,97 9.654,98 0.335,99 0.89,100 15.047,101 5.216,102 32.315,103 6.805,104 28,105 38,106 0.312,107 0.676,108 0.817,109 0.865,110 0.873,111 0.873,112 3.229,113 1.047,114 -3.12,115 -3.12,116 -3,119 35.7,124 2,125 1,142 5,143 2,144 1,147 1,150 1,151 1,161 1,163 1,164 1,165 1,172 5,174 4,175 4,177 2,178 4,180 4,183 4,188 4,193 2,196 2,200 6,203 3,204 3,205 3,207 2,208 1,210 1,213 5,218 2,221 2,223 1,224 1,225 6,228 2,230 2,233 3,235 1,238 3,243 2,246 3,248 1,249 3,250 4,252 1,253 2,255 4,258 1,260 2,264 3,269 2,274 1,276 744,277 15.61,278 15.61,279 15.61,280 15.61,281 15.61,282 13.347,283 19.048,284 9.006,285 16.01,286 12.821,287 12.821,288 12.821,289 12.821,290 12.821,291 9.334,292 30.765,293 4.254,294 13.51,295 3.599,296 1.503,297 0.693,298 0.417,299 0.369,300 0.369,301 3.902,304 1,305 1,306 1,307 427,308 3.742,311 49.94,312 141.14,315 93.107,319 1.215,320 29.712,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 53,332 202,333 4.782,334 4.38,335 7.219,336 4.315,337 3.374,338 4.543,339 0.657,340 12.042,341 3.165,342 4.544,343 3.163,344 6.538,345 4.04,346 3.086,347 4.494,348 0.4,349 10.333,350 2.946,351 4.151,352 3.052,353 6.148,354 3.702,355 2.728,356 3.772,358 8.927,359 2.646,360 3.578,361 2.308,362 5.229,363 3.087,364 2.169,365 3.009,367 6.343,368 1.988,369 3.457,370 2.26,371 5.015,372 3.009,373 2.091,374 2.813,376 5.942,377 1.917,378 2.99,379 2.04,380 4.733,381 2.615,382 1.659,383 2.141,385 4.797,386 1.581,387 2.92,388 1.574,389 3.842,390 2.47,391 1.48,392 2.085,394 3.174,395 1.464,396 2.6,397 1.153,398 3.715,399 2.081,400 1.123,401 1.648,403 2.671,404 1.073,405 2.279,406 1.049,407 3.545,408 1.851,409 0.907,410 1.205,412 2.221,413 0.854,414 2.091,415 1.004,416 3.432,417 1.721,418 0.768,419 0.968,421 1.891,422 0.728,423 1.727,424 0.599,425 3.093,426 1.377,427 0.445,428 0.556,430 1.102,431 0.413,432 1.056,433 0.392,434 2.681,435 0.643,436 -0.301,437 -0.385,439 -0.8,440 -0.283,441 1,442 -0.102,443 2.481,444 0.451,445 -0.476,446 -0.588,448 -1.139,449 -0.441,450 0.828,451 -0.305,452 2.21,453 0.206,454 -0.741,455 -0.942,457 -1.894,458 -0.697,459 0.646,460 -0.591,461 2.074,462 0.092,463 -0.889,464 -1.183,466 -2.198,467 -0.78,468 11.4,469 0.475,470 0.813,471 0.034,472 34.75,473 1.448,474 18.5,475 0.771,476 16.25,477 0.677,478 16.781,479 0.699,480 26.4,481 0.629,482 25.805,483 1.075,484 6.789,485 0.283,486 4.57,487 0.19,488 0.181,489 0.073,490 0.298,496 0.722,497 1.529,498 0.835,499 1.272,500 0.783,501 0.942,502 0.598,503 0.963,504 0.961,505 1.004,506 0.493,507 0.855,508 1.318,509 1.259,510 1.136,511 1.086,512 1.191,513 1.026,514 1.092,515 0.989,516 1.067,517 1.06,518 1.11,519 1.18,520 0.962,521 1.098,522 1.149,523 1.192,524 0.841,525 1.14,526 1.077,527 0.791,528 0.965,529 0.847,530 1.201,531 0.972,532 0.791,533 0.86,534 0.58,535 0.658,536 0.787,537 0.678,538 0.698,539 1.027,540 0.842,541 0.94,542 0.643,543 0.998,544 6,545 0.097,546 3.333,547 1.875,548 1.547,549 0.757,550 0.433,551 0.375,552 0.34,553 0.292,554 5895,555 19034,556 2.005,557 42.9,559 13,560 1,562 4,567 1.672,568 1.834,569 3.082,570 1.901,571 1,572 1,574 1,577 75.306,578 1.793,579 3.889,580 4.699,581 4.975,582 5.023,583 5.023,584 2.355,585 4.022,586 4.564,587 3.266,588 901.442,589 7.885,590 10692.7,591 1,592 1,594 1,595 226.477,596 1.697,597 4.483,598 0.231,599 0.008,600 0.088,601 0.051,602 0.045,603 0.025,604 0.017,605 0.014,606 0.013,607 0.014,608 0.506,609 0.17,610 1,611 1.045,612 113.104,613 -0.006,614 -0.245,615 0.207,616 -0.091,617 -0.215,618 0.03,619 0.337,620 0.193,621 0.034,622 0.051,623 0.326,624 0.092,625 -0.284,626 -0.183,627 -0.179,628 -0.08,629 -0.156,630 -0.082,631 -0.097,632 0.063,633 -0.182,634 -0.109,635 -0.129,636 -0.238,637 -0.117,638 -0.134,639 -0.136,640 -0.167,641 -0.026,642 -0.13,643 -0.055,644 0.066,645 -0.043,646 0.057,647 -0.1,648 0.022,649 0.025,650 -0.013,651 0.317,652 0.253,653 -0.004,654 0.356,655 0.157,656 0.06,657 0.061,658 0.016,659 0.092,660 -0.053,661 4.255,662 4.807,663 0.625,664 16.333,665 1.015,666 1.139,667 1.892,668 3.58,669 0.67,670 3.296,671 3.664,672 3.892,673 4.127,674 4.277,675 4.277,676 4.331,677 4.419,678 4.407,679 4.454,680 5.585,681 0.641,682 346.46,683 3.296,684 4.86,685 5.707,686 6.603,687 7.469,688 8.363,689 9.236,690 10.129,691 11.004,692 11.896,693 14.3,697 1,698 1,699 1,701 1,703 2,708 2,709 6,710 2,711 1,714 4,716 16,727 1,728 1,735 42,737 18,738 1,739 26,741 44,742 15,743 12,744 2,745 4,748 3,749 4,762 12,763 3,767 2,770 1,772 2,779 1,780 1,783 18,784 7,785 4,786 9,787 1,792 6,797 0.667,798 2,810 1,811 1,815 1,816 2,819 1,843 2,845 1,847 2,851 24,852 1,855 1,858 1,860 1,864 1,874 4.8,877 2,881 13.083,882 7.933,883 5.111,884 2.129,886 3.397,887 1.485,888 1.012,889 4.452,890 10.405,891 3.611,892 4.301,893 4.815,894 5.406,895 5.872,896 6.101,897 6.404,898 6.746,899 6.758,900 7.057,901 1,902 37,903 8.993,905 3.988,906 7.976,907 16.548,909 13.51,911 2.476,912 59.417,916 164.795,917 94.386,918 102.783,920 44.313,922 5.807,923 88.579,924 209.108,925 102.783,926 15.587,927 2.106,928 95.133,929 97.61,930 26.819,931 15.998,932 153.024,934 164.795,935 191.362,936 44.313,937 5.807,939 164.795,940 44.313,943 22.506,944 117.274,945 57.389,947 164.795,948 147.096,949 94.386,951 5.807,952 164.795,953 16.563,954 73.534,955 34.796,956 110.781,957 164.795,958 147.096,959 94.386,961 0.597,962 0.34,963 0.177,964 0.092,965 19,966 9,967 0.114,968 5,969 1,970 1.133,971 3.492,972 195.542,973 0.133,974 15,975 108.039,980 1,981 16.706,982 6.396,983 3.536,984 1.463,985 130.311,986 10.895,987 8.329,988 2.99,991 2.19,993 67.693,994 406.278,995 36,998 -3.339,1000 23.614,1007 42.643,1008 47.82,1009 0.333,1010 0.721,1011 0.871,1012 0.923,1013 0.932,1014 0.932,1015 4.86,1016 1.123,1017 5.753,1018 3.174,1019 4.344,1020 4.987,1021 0.781,1022 6.624,1023 4.24,1024 6.131,1025 0.907,1026 7.363,1027 2.671,1028 4.205,1029 5.156,1031 7.842,1032 4.025,1033 7.502,1034 0.768,1035 9.088,1036 2.221,1037 6.052,1038 7.372,1039 0.354,1040 10.869,1041 5.843,1042 8.915,1043 0.445,1044 10.88,1045 1.891,1046 6.698,1047 8.32,1049 12.856,1050 6.414,1051 10.36,1052 -0.301,1053 12.715,1054 1.102,1055 8.098,1056 10.083,1057 0.157,1058 15.489,1059 7.777,1060 11.828,1061 -0.476,1062 14.578,1063 -0.8,1064 9.062,1065 11.347,1067 17.758,1068 8.67,1069 13.314,1070 -0.741,1071 16.462,1072 -1.139,1073 10.314,1074 12.949,1075 0.069,1076 20.274,1077 9.876,1078 3.374,1079 -0.889,1080 18.361,1081 -1.894,1082 11.409,1083 14.347,1085 22.655,1086 10.903,1087 3.086,1088 12.042,1089 20.272,1090 -2.198,1091 12.613,1092 15.889,1093 0.03,1094 25.136,1095 12.052,1096 2.728,1097 10.333,1098 22.193,1099 4.543,1100 13.763,1101 17.345,1103 27.566,1104 13.136,1105 2.169,1106 8.927,1107 24.12,1108 4.494,1109 14.954,1110 18.863,1111 0.013,1112 30.038,1113 14.268,1114 2.091,1115 6.343,1116 26.054,1117 3.772,1118 16.129,1119 20.346,1121 32.492,1122 15.376,1123 1.659,1124 5.942,1125 27.993,1126 3.009,1127 17.319,1128 21.856,1129 0.006,1130 34.964,1131 16.504,1132 1.48,1133 4.797,1134 29.936,1135 2.813,1136 18.506,1137 23.35,1139 37.43,1140 17.624,1141 5819,1142 10585,1143 16.701,1144 28.159,1145 39.778,1146 40.753,1147 40.712,1148 39.725,1149 39.657,1150 54.468,1151 2.115,1152 118.883,1153 37.554,1154 5.638,1155 6.38,1156 6.902,1157 5.394,1158 5.374,1159 7.543,1160 1.315,1161 19.757,1162 5.165,1163 13.604,1164 1.53,1165 1.567,1166 1.566,1167 1.528,1168 1.525,1169 2.095,1170 0.081,1171 4.572,1172 1.444,1173 4.104,1174 4.149,1175 4.722,1176 4.004,1177 7.716,1178 3.981,1179 4.026,1180 4.026,1181 4.063,1182 3.929,1183 6.999,1184 3.902,1185 3.806,1186 3.796,1187 3.826,1188 3.765,1189 5.265,1190 3.679,1191 3.423,1192 3.51,1193 3.343,1194 3.178,1195 4.849,1196 3.207,1197 3.271,1198 3.365,1199 3.151,1200 3.041,1201 4.735,1202 3.058,1203 3.161,1204 3.26,1205 2.973,1206 2.934,1207 4.342,1208 2.915,1209 2.873,1210 2.955,1211 2.762,1212 2.681,1213 4.022,1214 2.693,1215 2.77,1216 2.851,1217 2.573,1218 2.614,1219 4.002,1220 2.599,1221 0.184,1222 0.168,1223 0.278,1224 0.166,1225 0.13,1226 4.782,1227 0.175,1228 4.38,1229 0.025,1230 7.219,1231 0.463,1232 4.315,1233 0.122,1234 3.374,1235 4.543,1236 0.657,1237 12.042,1238 3.165,1239 1.949,1240 1.931,1241 2.034,1242 2.063,1243 1.215,1244 2.075,1245 1.808,1246 1.774,1247 1.85,1248 1.987,1249 0.992,1250 1.963,1251 1.674,1252 1.697,1253 1.663,1254 1.805,1255 0.927,1256 1.861,1257 1.468,1258 1.398,1259 1.639,1260 1.702,1261 0.65,1262 1.692,1263 1.235,1264 1.16,1265 1.531,1266 1.477,1267 0.607,1268 1.489,1269 1.161,1270 1.061,1271 1.493,1272 1.434,1273 0.599,1274 1.482,1275 1.017,1276 0.92,1277 1.265,1278 1.349,1279 0.181,1280 1.341,1281 0.815,1282 0.744,1283 1.113,1284 1.01,1285 0.013,1286 1.053,1287 3.97,1289 5.323,1290 2.398,1291 6.86,1292 4.595,1293 8.482,1294 6.605,1295 10.15,1297 2.701,1301 5.718,1303 0.396,1305 3.205,1309 1.254,1314 26.906,1315 75.306,1316 163.358,1317 197.358,1318 208.968,1319 210.968,1320 210.968,1321 44.108,1322 7.009,1323 117,1324 125.38,1325 17,1326 12.427,1327 4.248,1328 3.459,1329 39.162,1330 82,1331 57,1332 0.238,1333 171.873,1334 281.89,1335 411.13,1336 10050,1338 17.32,1339 0.722,1340 0.589,1341 17.57,1342 14.131,1343 11.359,1344 0.437,1345 0.349,1346 7.251,1347 10.078,1348 6.864,1349 5.735,1350 12.254,1351 9.072,1352 11.132,1353 0.293,1354 0.195,1355 12.543,1356 7.397,1357 8.618,1358 0.18,1359 0.102,1360 9.408,1361 4.899,1362 6.939,1363 0.114,1364 0.048,1365 7.37,1366 2.954,1367 5.332,1368 0.075,1369 0.027,1370 5.739,1371 1.914,1372 0.368,1373 80.712,1374 0.245,1375 23.111,1376 0.671,1377 128,1378 403.245,1379 176.782,1380 413.479,1381 561.92,1382 380,1383 150,1384 396.498,1385 204.991,1386 434.849,1387 627.22,1388 405,1389 5.1}
{0 CHEMBL1970074,1 1.717,2 12.267,3 4.91,4 24.108,5 108.208,6 8.733,7 0.667,8 3.979,9 4.092,10 3.661,11 3.544,12 5.222,13 3.557,14 4.486,15 4.622,16 4.111,17 3.923,18 6.171,19 3.927,20 4.67,21 4.843,22 4.066,23 4.032,24 5.937,25 4.011,26 4.779,27 4.985,28 4.042,29 3.998,30 6.073,31 3.975,32 4.706,33 4.903,34 3.956,35 3.909,36 6.072,37 3.879,38 4.657,39 4.889,40 3.721,41 3.793,42 5.857,43 3.733,44 4.479,45 4.71,46 3.679,47 3.618,48 6.038,49 3.553,50 4.281,51 4.514,52 3.482,53 3.484,54 5.456,55 3.433,56 0.172,57 0.92,58 6.72,59 4.072,60 23.349,61 4.335,62 0.846,63 1.797,64 13.763,65 6.978,66 134.307,67 7.72,68 0.457,69 1.629,70 17.711,71 8.225,72 46.503,73 9.451,74 0.69,75 1.766,76 23.679,77 9.456,78 90.736,79 10.852,80 0.764,81 1.591,82 21.437,83 8.399,84 82.573,85 9.674,86 0.708,87 1.386,88 23.43,89 8.495,90 104.981,91 10.147,92 0.9,93 1.145,94 19.647,95 6.849,96 135.509,97 9.163,98 0.419,99 0.998,100 15.872,101 6.214,102 58.629,103 7.789,104 27,105 48,106 0.288,107 0.589,108 0.7,109 0.829,110 0.863,111 0.87,112 3.44,113 0.828,114 -5.57,115 -5.44,116 -5.08,119 46.8,120 1,132 1,142 11,143 4,144 2,146 1,152 1,159 1,168 1,172 13,175 2,178 2,179 1,180 6,183 17,188 3,193 6,196 14,200 6,205 9,208 10,213 6,218 7,221 7,225 4,230 6,233 8,238 1,243 2,246 8,250 2,253 1,254 1,255 4,258 8,264 1,269 1,272 6,276 1432,277 19.781,278 19.781,279 19.781,280 19.781,281 19.781,282 17.078,283 18.603,284 11.431,285 20.209,286 16.306,287 16.306,288 16.306,289 16.306,290 16.306,291 12.228,292 25.872,293 5.427,294 17.053,295 3.837,296 2.05,297 1.385,298 0.617,299 0.415,300 0.373,301 4.132,305 1,306 1,307 799,308 3.873,311 72.95,312 300.446,315 136.543,319 2.049,320 42.833,323 0.75,324 1,325 1,326 0.6,328 1,329 1,330 0.76,331 67.5,332 368,333 4.661,334 4.46,335 7.116,336 4.213,337 3.32,338 4.621,339 3.825,340 11.69,341 3.19,342 4.453,343 3.562,344 6.879,345 4.18,346 3.223,347 3.869,348 1.656,349 11.471,350 2.898,351 4.084,352 3.255,353 5.887,354 3.688,355 2.717,356 3.694,357 0.247,358 8.169,359 2.638,360 3.883,361 2.69,362 5.573,363 3.531,364 2.565,365 3.185,367 7.636,368 2.449,369 3.686,370 2.581,371 5.342,372 3.307,373 2.342,374 3.052,376 6.963,377 2.238,378 3.376,379 2.352,380 4.954,381 2.935,382 1.949,383 2.703,385 5.417,386 1.901,387 3.343,388 2.039,389 4.75,390 2.883,391 1.909,392 2.606,394 5.261,395 1.856,396 2.97,397 1.844,398 4.485,399 2.496,400 1.531,401 2.173,403 4.32,404 1.473,405 2.864,406 1.535,407 4.377,408 2.41,409 1.437,410 1.978,412 4.045,413 1.371,414 2.631,415 1.204,416 3.817,417 2.144,418 1.157,419 1.692,421 2.803,422 1.14,423 2.57,424 1.189,425 3.488,426 2.092,427 1.111,428 1.6,430 2.536,431 1.078,432 2.5,433 1,434 3.414,435 2,436 1,437 1.5,439 2.275,440 1,441 2.174,442 0.792,443 3.326,444 1.708,445 0.721,446 1.031,448 1.751,449 0.71,450 1.35,451 0.625,452 2.958,453 1.043,454 0.088,455 0.104,457 0.233,458 0.083,459 1.178,460 0.51,461 2.726,462 0.775,463 -0.226,464 -0.296,466 -0.561,467 -0.224,468 13.79,469 0.46,470 0.949,471 0.032,472 41.5,473 1.383,474 22.5,475 0.75,476 19,477 0.633,478 21.708,479 0.724,480 31.81,481 0.677,482 34.062,483 1.135,484 8.587,485 0.286,486 5.721,487 0.191,488 0.123,489 0.036,490 0.326,493 3,496 0.58,497 0.865,498 0.635,499 0.88,500 0.58,501 0.803,502 0.357,503 0.778,504 0.647,505 0.957,506 0.357,507 0.938,508 0.7,509 0.916,510 0.91,511 1.052,512 0.597,513 1.055,514 0.977,515 1.016,516 1.018,517 1.054,518 0.909,519 1.045,520 0.897,521 0.843,522 1.087,523 1.066,524 0.939,525 1.13,526 0.98,527 0.852,528 1.119,529 0.98,530 0.991,531 1.063,532 0.358,533 0.613,534 0.812,535 0.889,536 0.372,537 0.993,538 0.719,539 0.821,540 0.828,541 0.949,542 0.741,543 0.943,544 7.5,545 0.143,546 3.556,547 2.535,548 1.506,549 1.091,550 0.655,551 0.308,552 0.294,553 0.272,554 13098,555 45336,556 2.059,557 36.2,559 11,562 3,563 3,567 1.722,568 1.905,569 3.55,570 0.9,577 80.716,578 1.717,579 3.504,580 4.17,581 4.937,582 5.139,583 5.182,584 2.881,585 4.548,586 4.883,587 3.808,588 1656.28,589 8.479,590 24131.6,592 1,595 261.066,596 1.615,597 4.82,598 0.227,599 0.006,600 0.074,601 0.054,602 0.034,603 0.028,604 0.021,605 0.011,606 0.012,607 0.01,608 0.478,609 0.33,610 0.88,611 0.758,612 156.868,613 -0.035,614 0.034,615 0.009,616 0.069,617 -0.1,618 0.064,619 0.456,620 0.241,621 0.128,622 0.018,623 0.428,624 -0.042,625 -0.075,626 -0.109,627 -0.095,628 -0.107,629 -0.01,630 -0.105,631 -0.118,632 -0.106,633 -0.063,634 -0.084,635 -0.067,636 -0.054,637 -0.03,638 0.005,639 -0.146,640 -0.117,641 -0.059,642 -0.165,643 -0.133,644 -0.041,645 -0.095,646 -0.01,647 -0.136,648 -0.024,649 0.428,650 0.143,651 0.214,652 0.069,653 0.405,654 0.054,655 0.03,656 -0.016,657 0.181,658 0.044,659 -0.011,660 0.13,661 5.722,662 5.167,663 0.7,664 30.267,665 1.029,666 1.139,667 4.34,668 18.833,669 0.689,670 3.526,671 3.892,672 4.127,673 4.394,674 4.585,675 4.595,676 4.745,677 4.796,678 4.828,679 4.883,680 7.695,681 0.684,682 410.43,683 3.526,684 5.094,685 5.943,686 6.838,687 7.705,688 8.599,689 9.473,690 10.366,691 11.244,692 12.137,693 8.5,700 2,701 1,703 1,708 2,709 11,710 1,711 1,714 6,716 22,735 47,737 23,738 3,739 33,741 50,742 22,743 19,744 7,745 11,748 4,749 5,753 1,754 2,759 1,762 20,763 2,767 1,772 1,776 1,781 3,783 17,784 7,785 3,786 8,792 4,797 0.75,798 1,807 1,815 1,816 3,819 1,843 3,847 1,849 3,851 30,860 2,865 1,873 3,874 2.1,877 1,881 15.75,882 8.712,883 6.361,884 2.624,886 4.177,887 1.535,888 1.034,889 5.23,890 11.98,891 3.829,892 4.48,893 5.078,894 5.71,895 6.235,896 6.497,897 6.949,898 7.331,899 7.55,900 7.898,901 0.875,902 47,903 11.512,905 5.42,906 8.225,907 20.264,909 16.621,911 2.725,912 81.75,915 1,916 164.795,917 147.643,918 69.348,920 25.145,921 44.88,923 147.643,924 189.94,925 114.228,926 8.825,927 36.022,928 104.239,929 41.808,930 81.331,931 7.033,932 164.795,933 7.76,934 164.795,935 216.991,936 70.025,939 164.795,940 70.025,943 71.413,944 128.914,945 16.663,947 209.676,948 94.492,949 147.643,952 172.555,953 26.82,954 113.064,955 52.685,956 86.688,957 164.795,958 139.373,959 147.643,961 0.596,962 0.337,963 0.181,964 0.097,965 24,966 11,967 0.06,968 3,969 1,970 1.095,971 4.154,972 264.242,973 0.095,974 21,975 138.452,981 19.994,982 7.848,983 4.344,984 1.896,985 122.71,986 17.502,987 4.262,988 2.975,991 2.671,993 52.685,994 451.812,995 45,1000 12.167,1004 -0.63,1007 48.341,1008 53.543,1009 0.309,1010 0.631,1011 0.751,1012 0.889,1013 0.925,1014 0.933,1015 5.078,1016 1.531,1017 5.974,1018 5.261,1019 4.575,1020 5.168,1021 3.244,1022 6.828,1023 4.492,1024 6.325,1025 1.437,1026 7.567,1027 4.32,1028 4.369,1029 5.066,1030 3.949,1031 7.98,1032 4.148,1033 7.658,1034 1.157,1035 9.269,1036 4.045,1037 6.256,1038 7.426,1039 5.464,1040 11.011,1041 6.069,1042 9.027,1043 1.111,1044 11.039,1045 2.803,1046 6.836,1047 8.125,1048 6.701,1049 12.98,1050 6.506,1051 10.426,1052 1,1053 12.853,1054 2.536,1055 8.26,1056 9.994,1057 8.065,1058 15.602,1059 7.941,1060 11.848,1061 0.721,1062 14.698,1063 2.275,1064 9.18,1065 11.092,1066 9.391,1067 17.875,1068 8.743,1069 13.288,1070 0.088,1071 16.567,1072 1.751,1073 10.438,1074 12.751,1075 10.736,1076 20.376,1077 9.983,1078 3.32,1079 -0.226,1080 18.453,1081 0.233,1082 11.507,1083 14.058,1084 12.075,1085 22.761,1086 10.958,1087 3.223,1088 11.69,1089 20.353,1090 -0.561,1091 12.707,1092 15.626,1093 13.417,1094 25.226,1095 12.124,1096 2.717,1097 11.471,1098 22.263,1099 4.621,1100 13.84,1101 17.04,1102 14.758,1103 27.652,1104 13.182,1105 2.565,1106 8.169,1107 24.181,1108 3.869,1109 15.024,1110 18.573,1111 16.1,1112 30.106,1113 14.322,1114 2.342,1115 7.636,1116 26.106,1117 3.694,1118 16.184,1119 20.041,1120 17.441,1121 32.547,1122 15.42,1123 1.949,1124 6.963,1125 28.036,1126 3.185,1127 17.365,1128 21.563,1129 18.783,1130 34.998,1131 16.554,1132 1.909,1133 5.417,1134 29.971,1135 3.052,1136 18.539,1137 23.059,1138 20.124,1139 37.445,1140 17.674,1141 12419,1142 23356,1143 21.671,1144 32.381,1145 50.939,1146 50.708,1147 51.282,1148 50.362,1149 50.139,1150 67.617,1151 11.457,1152 149.139,1153 48.055,1154 5.532,1155 6.46,1156 6.662,1157 5.258,1158 5.32,1159 7.621,1160 5.335,1161 18.916,1162 5.19,1163 16.433,1164 1.544,1165 1.537,1166 1.554,1167 1.526,1168 1.519,1169 2.049,1170 0.347,1171 4.519,1172 1.456,1173 4.135,1174 4.17,1175 4.102,1176 4.056,1177 8.513,1178 4.062,1179 3.949,1180 3.982,1181 3.909,1182 3.858,1183 7.999,1184 3.862,1185 3.853,1186 3.889,1187 3.799,1188 3.765,1189 7.999,1190 3.768,1191 3.479,1192 3.534,1193 3.449,1194 3.288,1195 7.431,1196 3.294,1197 3.415,1198 3.47,1199 3.329,1200 3.162,1201 5.082,1202 3.213,1203 3.272,1204 3.318,1205 3.247,1206 2.993,1207 4.748,1208 3.038,1209 3.03,1210 3.117,1211 2.925,1212 2.868,1213 4.7,1214 2.878,1215 2.908,1216 2.991,1217 2.731,1218 2.735,1219 4.363,1220 2.715,1221 0.141,1222 0.135,1223 0.216,1224 0.128,1225 0.101,1226 4.661,1227 0.14,1228 4.46,1229 0.116,1230 7.116,1231 0.354,1232 4.213,1233 0.097,1234 3.32,1235 4.621,1236 3.825,1237 11.69,1238 3.19,1239 2.014,1240 1.996,1241 2.09,1242 2.075,1243 1.251,1244 2.08,1245 1.905,1246 1.879,1247 2.001,1248 2.013,1249 1.099,1250 2.008,1251 1.782,1252 1.754,1253 1.894,1254 1.88,1255 0.997,1256 1.885,1257 1.497,1258 1.422,1259 1.72,1260 1.771,1261 0.761,1262 1.751,1263 1.283,1264 1.24,1265 1.4,1266 1.595,1267 0.377,1268 1.536,1269 1.082,1270 1.043,1271 1.228,1272 1.406,1273 0.279,1274 1.323,1275 1.008,1276 0.945,1277 1.204,1278 1.283,1279 0.244,1280 1.285,1281 0.894,1282 0.832,1283 1.181,1284 1.099,1285 0.218,1286 1.112,1287 4.205,1289 5.557,1290 2.398,1291 7.091,1292 4.727,1293 8.707,1294 6.823,1295 10.366,1297 1.951,1299 38.392,1305 5.036,1310 -4.472,1314 32.165,1315 80.716,1316 164.694,1317 195.992,1318 232.046,1319 241.556,1320 243.556,1321 60.778,1322 7.803,1323 69.81,1324 69.81,1325 23,1326 12.667,1327 4.585,1328 3.7,1329 47.434,1330 142,1331 106,1332 0.163,1333 194.795,1334 338.08,1335 467.06,1336 29337,1337 6.4,1338 21.303,1339 0.71,1340 0.528,1341 18.803,1342 15.84,1343 14.309,1344 0.434,1345 0.276,1346 8.951,1347 13.679,1348 8.784,1349 7.266,1350 13.097,1351 9.105,1352 13.94,1353 0.29,1354 0.141,1355 11.982,1356 6.783,1357 10.777,1358 0.177,1359 0.076,1360 9.814,1361 4.663,1362 9.171,1363 0.115,1364 0.041,1365 8.653,1366 3.268,1367 7.336,1368 0.076,1369 0.022,1370 6.696,1371 2.151,1372 0.263,1373 90.404,1374 0.215,1375 28.761,1376 0.425,1377 162,1378 652.713,1379 188.947,1380 557.599,1381 736.32,1382 516,1383 190,1384 527.595,1385 209.714,1386 517.527,1387 772.96,1388 486,1389 5.1}
{0 CHEMBL1970083,1 1.842,2 14.919,3 5.061,4 25.61,5 134.938,6 9.695,7 0.683,8 4.133,9 4.231,10 3.932,11 3.751,12 5.436,13 3.755,14 4.621,15 4.735,16 4.377,17 4.142,18 6.312,19 4.135,20 4.823,21 4.972,22 4.413,23 4.265,24 6.184,25 4.24,26 4.928,27 5.097,28 4.456,29 4.275,30 6.3,31 4.239,32 4.922,33 5.1,34 4.386,35 4.226,36 6.361,37 4.171,38 4.827,39 5.011,40 4.257,41 4.087,42 6.421,43 4.055,44 4.688,45 4.87,46 4.102,47 3.97,48 6.28,49 3.938,50 4.661,51 4.874,52 3.923,53 3.931,54 5.918,55 3.866,56 0.247,57 1.11,58 5.819,59 4.583,60 38.661,61 4.181,62 0.946,63 2.123,64 12.772,65 8.112,66 147.353,67 7.553,68 0.696,69 2.081,70 16.843,71 9.904,72 81.674,73 9.657,74 0.951,75 2.305,76 24.962,77 11.999,78 139.542,79 11.387,80 1.122,81 2.152,82 31.455,83 12.433,84 152.012,85 12.066,86 1.324,87 2.249,88 27.337,89 10.604,90 221.268,91 10.051,92 0.991,93 1.622,94 17.447,95 8.154,96 149.244,97 9.23,98 0.724,99 1.569,100 21.558,101 9.549,102 104.037,103 10.851,104 38,105 60,106 0.298,107 0.606,108 0.768,109 0.856,110 0.862,111 0.862,112 3.642,113 0.856,114 -5.38,115 -5.26,116 -4.92,119 48.1,132 1,142 9,143 6,144 3,145 3,147 1,151 1,152 1,159 1,163 1,164 1,165 1,172 12,175 4,177 1,178 3,179 1,180 4,183 16,185 1,188 3,193 5,196 11,198 1,200 8,205 8,208 10,210 3,213 6,218 8,221 7,223 3,224 1,225 6,230 7,233 8,235 4,238 2,243 2,246 12,250 2,252 1,253 2,254 1,255 2,257 1,258 11,264 3,269 2,272 5,276 2501,277 24.557,278 24.557,279 24.557,280 24.557,281 24.557,282 21.121,283 19.296,284 14.167,285 25.269,286 20.238,287 20.238,288 20.238,289 20.238,290 20.238,291 15.083,292 24.778,293 6.728,294 21.476,295 3.913,296 2.003,297 1.001,298 0.458,299 0.421,300 0.421,301 4.343,307 1204,308 4.062,311 88.409,312 482.276,315 165.922,319 2.362,320 61.183,323 0.5,324 0.83,325 0.83,326 0.3,328 0.83,329 1,330 0.61,331 83.5,332 552,333 4.746,334 4.461,335 7.119,336 4.28,337 3.328,338 4.724,339 3.825,340 11.975,341 3.205,342 4.483,343 3.573,344 7.012,345 4.194,346 3.313,347 3.996,348 1.656,349 11.704,350 2.934,351 4.197,352 3.324,353 6.337,354 3.824,355 2.837,356 3.809,357 0.247,358 9.588,359 2.808,360 4.076,361 3.094,362 6.055,363 3.728,364 2.79,365 3.546,367 8.726,368 2.58,369 3.963,370 2.826,371 5.754,372 3.551,373 2.582,374 3.35,376 7.733,377 2.472,378 3.694,379 2.578,380 5.441,381 3.311,382 2.341,383 3.056,385 7.141,386 2.256,387 3.44,388 2.305,389 5.085,390 2.982,391 2.016,392 2.845,394 5.688,395 1.945,396 3.416,397 2.047,398 4.82,399 2.908,400 1.978,401 2.682,403 5.438,404 1.823,405 3.148,406 2.04,407 4.592,408 2.638,409 1.695,410 2.41,412 4.627,413 1.583,414 2.911,415 1.757,416 4.53,417 2.48,418 1.573,419 2.025,421 4.45,422 1.389,423 2.81,424 1.722,425 4.133,426 2.359,427 1.387,428 1.922,430 3.628,431 1.331,432 2.729,433 1.273,434 4.068,435 2.198,436 1.25,437 1.833,439 3.175,440 1.177,441 2.551,442 1.081,443 3.672,444 2.002,445 1.061,446 1.575,448 2.702,449 1,450 2.5,451 1,452 3.444,453 2,454 1,455 1.5,457 2.275,458 0.989,459 2.5,460 1,461 3.414,462 1.984,463 1,464 1.5,466 2.136,467 0.983,468 17.31,469 0.468,470 1.141,471 0.031,472 53,473 1.432,474 29,475 0.784,476 24,477 0.649,478 28.845,479 0.78,480 38.49,481 0.713,482 46.461,483 1.256,484 10.672,485 0.288,486 7.031,487 0.19,488 0.108,489 0.029,490 0.347,493 3,494 1,496 0.615,497 0.84,498 0.628,499 0.772,500 0.608,501 0.722,502 0.433,503 0.724,504 0.754,505 0.884,506 0.423,507 0.882,508 0.74,509 0.878,510 0.849,511 0.929,512 0.678,513 0.989,514 1.025,515 1.055,516 1.103,517 1.108,518 1.003,519 1.086,520 0.761,521 0.803,522 1.329,523 1.172,524 0.789,525 1.086,526 0.797,527 0.776,528 1.202,529 1.051,530 0.776,531 1.053,532 0.435,533 0.724,534 0.757,535 0.918,536 0.45,537 1.115,538 0.734,539 0.787,540 0.92,541 0.956,542 0.749,543 1.094,544 8.5,545 0.19,546 4.889,547 2.778,548 2.401,549 1.57,550 1.046,551 0.508,552 0.349,553 0.346,554 23312,555 87568,556 2.077,557 31.5,559 9,560 1,561 3,562 4,567 1.776,568 1.922,569 3.83,570 1.525,577 99.456,578 1.842,579 3.752,580 4.754,581 5.296,582 5.334,583 5.334,584 3.264,585 4.757,586 5.183,587 4.052,588 2698.56,589 9.09,590 45507,595 310.764,596 1.599,597 5.125,598 0.207,599 0.006,600 0.081,601 0.045,602 0.04,603 0.028,604 0.021,605 0.012,606 0.009,607 0.01,608 0.459,610 0.75,611 0.707,612 206.538,613 -0.073,614 0.007,615 0.007,616 0.097,617 -0.107,618 0.086,619 0.343,620 0.249,621 0.025,622 0.058,623 0.328,624 -0.036,625 -0.058,626 -0.046,627 -0.03,628 -0.008,629 -0.018,630 -0.059,631 -0.143,632 -0.107,633 -0.068,634 -0.069,635 -0.124,636 -0.094,637 0.052,638 0.032,639 -0.129,640 -0.061,641 0.027,642 -0.052,643 0.121,644 0.133,645 -0.13,646 -0.03,647 0.147,648 -0.052,649 0.288,650 0.041,651 0.044,652 -0.071,653 0.267,654 -0.129,655 0.003,656 0.003,657 0.026,658 -0.011,659 -0.03,660 0.01,661 5.916,662 5.937,663 0.73,664 45.097,665 1.038,666 1.135,667 4.15,668 17.225,669 0.722,670 3.738,671 4.111,672 4.382,673 4.663,674 4.92,675 5.024,676 5.159,677 5.278,678 5.384,679 5.472,680 8.854,681 0.718,682 523.55,683 3.738,684 5.313,685 6.176,686 7.077,687 7.96,688 8.865,689 9.756,690 10.662,691 11.559,692 12.468,693 9.3,697 1,700 2,703 2,708 2,709 13,710 2,713 1,714 9,716 28,727 1,734 1,735 54,737 29,738 2,739 41,741 58,742 26,743 24,744 5,745 7,748 5,749 6,753 1,754 1,759 1,762 25,763 1,767 1,772 1,776 1,781 4,783 17,784 10,785 4,786 11,787 1,792 5,797 0.8,798 1,809 2,815 1,816 4,819 1,843 4,845 1,849 4,851 37,852 1,860 2,865 1,869 1,873 4,874 1.9,877 1,881 19.25,882 9.721,883 7.861,884 2.921,886 5.357,887 1.619,888 1.051,889 6.635,890 14.014,891 4.043,892 4.707,893 5.332,894 5.977,895 6.564,896 6.919,897 7.395,898 7.866,899 8.246,900 8.649,901 0.9,902 62,903 14.272,905 6.863,906 8.286,907 24.832,909 20.594,911 2.786,912 103.083,916 153.024,917 199.6,918 102.49,920 25.145,921 59.84,922 31.278,923 168.322,924 178.169,925 162.33,927 36.022,928 125.832,929 94.029,930 105.158,931 34.081,932 137.218,933 7.76,934 153.024,935 270.812,936 84.985,937 31.278,939 167.984,940 70.025,943 70.923,944 166.317,945 33.571,946 31.278,947 212.865,948 127.635,949 199.6,952 160.784,953 71.763,954 120.078,955 36.022,956 151.454,957 153.024,958 187.475,959 199.6,961 0.596,962 0.343,963 0.183,964 0.104,965 30,966 14,967 0.069,968 4,969 1,970 1.074,971 4.688,972 363.042,973 0.074,974 27,975 179.995,977 1,981 24.82,982 9.89,983 5.172,984 1.774,985 187.475,986 19.46,987 8.416,990 1.529,991 1.678,993 68.919,994 540.099,995 56,1000 12.303,1004 -0.887,1007 56.032,1008 61.301,1009 0.32,1010 0.652,1011 0.826,1012 0.92,1013 0.927,1014 0.927,1015 5.298,1016 1.978,1017 6.205,1018 5.688,1019 4.796,1020 5.396,1021 3.244,1022 7.072,1023 4.685,1024 6.548,1025 1.695,1026 7.806,1027 5.438,1028 4.575,1029 5.293,1030 3.949,1031 8.215,1032 4.354,1033 7.884,1034 1.573,1035 9.515,1036 4.627,1037 6.482,1038 7.667,1039 5.464,1040 11.277,1041 6.264,1042 9.257,1043 1.387,1044 11.29,1045 4.45,1046 7.057,1047 8.375,1048 6.701,1049 13.232,1050 6.722,1051 10.661,1052 1.25,1053 13.107,1054 3.628,1055 8.488,1056 10.247,1057 8.065,1058 15.874,1059 8.142,1060 12.088,1061 1.061,1062 14.953,1063 3.175,1064 9.405,1065 11.355,1066 9.391,1067 18.137,1068 8.954,1069 13.533,1070 1,1071 16.821,1072 2.702,1073 10.667,1074 13.018,1075 10.736,1076 20.653,1077 10.184,1078 3.328,1079 1,1080 18.705,1081 2.275,1082 11.735,1083 14.336,1084 12.075,1085 23.038,1086 11.162,1087 3.313,1088 11.975,1089 20.601,1090 2.136,1091 12.939,1092 15.912,1093 13.417,1094 25.516,1095 12.32,1096 2.837,1097 11.704,1098 22.507,1099 4.724,1100 14.072,1101 17.34,1102 14.758,1103 27.949,1104 13.377,1105 2.79,1106 9.588,1107 24.421,1108 3.996,1109 15.26,1110 18.884,1111 16.1,1112 30.419,1113 14.511,1114 2.582,1115 8.726,1116 26.342,1117 3.809,1118 16.424,1119 20.368,1120 17.441,1121 32.873,1122 15.606,1123 2.341,1124 7.733,1125 28.268,1126 3.546,1127 17.609,1128 21.904,1129 18.783,1130 35.341,1131 16.736,1132 2.016,1133 7.141,1134 30.198,1135 3.35,1136 18.787,1137 23.417,1138 20.124,1139 37.804,1140 17.852,1141 21875,1142 42695,1143 27.046,1144 38.972,1145 63.279,1146 63.555,1147 63.973,1148 62.468,1149 62.307,1150 84.298,1151 11.457,1152 187.116,1153 58.625,1154 5.619,1155 6.461,1156 6.921,1157 5.388,1158 5.328,1159 7.724,1160 5.335,1161 19.526,1162 5.205,1163 20.7,1164 1.543,1165 1.55,1166 1.56,1167 1.524,1168 1.52,1169 2.056,1170 0.279,1171 4.564,1172 1.43,1173 4.133,1174 4.145,1175 4.344,1176 4.137,1177 8.513,1178 4.099,1179 3.957,1180 3.985,1181 3.935,1182 3.86,1183 8.201,1184 3.868,1185 3.881,1186 3.912,1187 3.83,1188 3.811,1189 7.999,1190 3.811,1191 3.763,1192 3.801,1193 3.768,1194 3.683,1195 7.999,1196 3.672,1197 3.463,1198 3.508,1199 3.451,1200 3.207,1201 7.431,1202 3.241,1203 3.313,1204 3.358,1205 3.433,1206 3.127,1207 5.188,1208 3.137,1209 3.242,1210 3.285,1211 3.293,1212 2.978,1213 4.903,1214 3.025,1215 3.06,1216 3.142,1217 3.017,1218 2.896,1219 4.772,1220 2.888,1221 0.116,1222 0.109,1223 0.174,1224 0.104,1225 0.081,1226 4.746,1227 0.115,1228 4.461,1229 0.093,1230 7.119,1231 0.292,1232 4.28,1233 0.078,1234 3.328,1235 4.724,1236 3.825,1237 11.975,1238 3.205,1239 1.984,1240 1.965,1241 2.047,1242 2.064,1243 1.202,1244 2.061,1245 1.905,1246 1.882,1247 1.982,1248 2.022,1249 1.095,1250 2.009,1251 1.884,1252 1.862,1253 1.965,1254 1.972,1255 1.082,1256 1.975,1257 1.675,1258 1.639,1259 1.759,1260 1.823,1261 0.827,1262 1.811,1263 1.393,1264 1.381,1265 1.438,1266 1.614,1267 0.618,1268 1.566,1269 1.235,1270 1.201,1271 1.32,1272 1.427,1273 0.322,1274 1.414,1275 1.051,1276 1.019,1277 1.192,1278 1.353,1279 0.218,1280 1.3,1281 0.913,1282 0.839,1283 1.181,1284 1.236,1285 0.218,1286 1.234,1287 4.419,1289 5.778,1290 2.398,1291 7.324,1292 4.727,1293 8.956,1294 6.88,1295 10.634,1299 52.651,1301 6.221,1305 4.603,1310 -4.666,1314 38.756,1315 99.456,1316 202.619,1317 256.725,1318 286.009,1319 288.009,1320 288.009,1321 88.962,1322 8.657,1323 92.93,1324 121.17,1325 29,1326 12.986,1327 4.907,1328 4,1329 57.147,1330 203,1331 168,1332 0.138,1333 236.112,1334 411.68,1335 567.874,1336 84506,1337 7.4,1338 26.156,1339 0.707,1340 0.53,1341 23.139,1342 19.622,1343 17.703,1344 0.432,1345 0.285,1346 10.703,1347 16.466,1348 10.486,1349 8.612,1350 16.535,1351 11.697,1352 17.07,1353 0.284,1354 0.148,1355 15.119,1356 8.875,1357 13.765,1358 0.174,1359 0.084,1360 12.957,1361 6.625,1362 11.555,1363 0.11,1364 0.047,1365 11.819,1366 4.952,1367 9.647,1368 0.071,1369 0.025,1370 9.577,1371 3.377,1372 0.224,1373 116.509,1374 0.192,1375 34.123,1376 0.361,1377 202,1378 844.309,1379 255.809,1380 738.857,1381 972.27,1382 684,1383 240,1384 675.299,1385 285.433,1386 677.373,1387 1011.79,1388 636,1389 6.7}
{0 CHEMBL1970104,1 1.369,2 8.636,3 4.743,4 22.499,5 87.891,6 7.26,7 0.8,8 3.797,9 3.929,10 3.364,11 3.391,12 4.865,13 3.358,14 4.315,15 4.491,16 3.778,17 3.814,18 5.316,19 3.769,20 4.538,21 4.727,22 3.765,23 3.936,24 5.532,25 3.844,26 4.715,27 4.993,28 3.649,29 3.874,30 5.586,31 3.748,32 4.497,33 4.77,34 3.457,35 3.682,36 5.35,37 3.561,38 4.267,39 4.518,40 3.358,41 3.513,42 5.213,43 3.431,44 4.124,45 4.356,46 3.095,47 3.424,48 5.012,49 3.303,50 3.949,51 4.2,52 2.938,53 3.249,54 4.753,55 3.112,56 0.065,57 0.617,58 8.343,59 3.484,60 8.881,61 4.787,62 0.094,63 1.001,64 14.975,65 6.063,66 14.126,67 8.532,68 0.146,69 1.221,70 19.062,71 7.642,72 21.027,73 10.781,74 0.254,75 1.349,76 25.766,77 8.881,78 33.278,79 13.157,80 0.154,81 1.078,82 20.516,83 7.203,84 23.399,85 10.667,86 0.177,87 0.906,88 15.943,89 4.854,90 21.801,91 7.235,92 0.143,93 0.772,94 13.386,95 4.564,96 15.222,97 6.602,98 0.058,99 0.606,100 11.362,101 4.687,102 11.165,103 6.735,104 11,105 38,106 0.239,107 0.595,108 0.689,109 0.775,110 0.784,111 0.784,112 3.148,113 0.895,114 -5.09,115 -4.99,116 -4.67,119 45,120 3,123 1,142 7,143 2,146 2,152 2,161 1,168 1,172 11,175 3,178 1,180 2,183 14,188 5,191 1,192 1,193 5,196 10,199 1,200 4,203 1,205 4,208 3,213 5,218 5,221 2,225 3,230 6,233 4,238 2,243 1,246 7,250 1,255 3,258 10,264 3,272 7,276 556,277 14.643,278 14.643,279 14.643,280 14.643,281 14.643,282 12.478,283 6.063,284 8.316,285 14.817,286 12.371,287 12.371,288 12.371,289 12.371,290 12.371,291 9.044,292 5.882,293 3.964,294 12.672,295 3.953,296 1.915,297 1.373,298 0.882,299 0.832,300 0.832,301 3.843,305 1,306 1,307 420,308 3.082,311 80.878,312 103.444,315 154.479,319 1.397,320 11.407,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 46,332 190,333 4.651,334 3.548,335 7.12,336 4.333,337 3.337,338 4.595,340 11.713,341 3.327,342 4.5,343 3.187,344 6.727,345 4.15,346 3.179,347 4.365,349 10.975,350 3.085,351 4.252,352 2.86,353 6.216,354 3.82,355 2.852,356 3.594,358 9.336,359 2.757,360 3.631,361 2.236,362 5.617,363 3.205,364 2.235,365 3.038,367 7.259,368 2.163,369 3.052,370 1.642,371 4.664,372 2.623,373 1.636,374 2.322,376 4.888,377 1.613,378 3.037,379 1.546,380 4.524,381 2.528,382 1.546,383 2.301,385 4.334,386 1.516,387 3.031,388 1.534,389 4.375,390 2.499,391 1.534,392 2.24,394 4.061,395 1.478,396 2.817,397 1.367,398 4.006,399 2.347,400 1.364,401 1.943,403 3.402,404 1.339,405 2.506,406 1.01,407 3.563,408 1.972,409 1.009,410 1.509,412 2.536,413 0.969,414 1.962,415 0.478,416 3.18,417 1.451,418 0.475,419 0.703,421 1.159,422 0.463,423 1.891,424 0.418,425 3.087,426 1.357,427 0.407,428 0.601,430 1.069,431 0.386,432 0.83,433 -0.528,434 2.812,435 0.38,436 -0.599,437 -0.819,439 -1.688,440 -0.585,441 0.68,442 -0.754,443 2.418,444 0.194,445 -0.791,446 -1,448 -2.021,449 -0.777,450 0.614,451 -0.848,452 2.214,453 0.133,454 -0.856,455 -1,457 -2.195,458 -0.845,459 0.555,460 -0.927,461 2,462 0.043,463 -0.935,464 -1.097,466 -2.722,467 -0.912,468 10.6,469 0.482,470 0.737,471 0.034,472 30,473 1.364,474 16,475 0.727,476 14,477 0.636,478 17.374,479 0.79,480 22.4,481 0.56,482 18.947,483 0.861,484 5.57,485 0.253,486 4.951,487 0.225,488 0.142,489 0.047,490 0.33,496 0.863,497 1.069,498 0.807,499 0.929,500 1.019,501 0.874,502 0.733,503 1.099,504 0.686,505 0.891,506 0.619,507 0.803,508 0.845,509 1.27,510 1.099,511 1.268,512 0.944,513 1.22,514 1.003,515 0.972,516 0.911,517 0.915,518 0.989,519 0.906,520 1.017,521 1.055,522 0.887,523 0.936,524 0.917,525 0.905,526 1.771,527 0.936,528 1.077,529 0.79,530 1.426,531 0.848,532 1.669,533 0.915,534 1.367,535 1.035,536 1.371,537 1.146,538 0.535,539 0.988,540 0.88,541 1.043,542 0.672,543 1.005,544 5.5,545 0.062,546 3.111,547 1.799,548 1.206,549 0.639,550 0.524,551 0.214,552 0.22,553 0.184,554 5005,555 10558,556 2.136,557 45,558 9,559 7,562 2,567 1.644,568 1.985,569 3.106,570 0.259,577 54.76,578 1.369,579 3.407,580 3.949,581 4.44,582 4.49,583 4.49,584 2.556,585 4.152,586 4.433,587 3.25,588 750.764,589 7.609,590 7973.99,592 1,595 212.877,596 1.62,597 4.378,598 0.22,599 0.009,600 0.082,601 0.051,602 0.04,603 0.026,604 0.023,605 0.013,606 0.015,607 0.014,608 0.492,609 0.67,610 1,611 0.797,612 99.845,613 0.1,614 0.066,615 0.061,616 0.052,617 -0.137,618 0.052,619 0.177,620 -0.037,621 0.223,622 0.099,623 0.271,624 0.153,625 0.085,626 -0.23,627 -0.185,628 -0.292,629 -0.016,630 -0.271,631 0.11,632 -0.014,633 0.104,634 0.039,635 0.07,636 0.065,637 0.016,638 -0.107,639 0.119,640 0.03,641 0.108,642 0.075,643 -0.314,644 0.131,645 -0.068,646 0.113,647 -0.162,648 0.06,649 -0.458,650 0.136,651 -0.403,652 -0.1,653 -0.4,654 -0.22,655 0.086,656 -0.087,657 0.076,658 -0.014,659 0.095,660 0.022,661 1.131,662 1.753,663 0.818,664 15.752,665 0.99,666 1.122,667 3.859,668 14.892,669 0.684,670 3.258,671 3.664,672 3.951,673 4.248,674 4.477,675 4.635,676 4.82,677 4.977,678 5.004,679 5.094,680 5.236,681 0.644,682 290.4,683 3.258,684 4.844,685 5.72,686 6.637,687 7.533,688 8.45,689 9.354,690 10.271,691 11.178,692 12.096,693 10,701 2,703 2,708 4,709 7,710 2,711 2,714 3,716 20,735 40,737 20,738 2,739 25,741 43,742 18,743 14,744 5,745 7,748 4,749 6,754 3,755 1,762 14,763 4,783 18,784 2,785 2,786 4,789 1,792 4,797 0.5,807 1,815 2,816 2,819 2,843 2,847 3,851 22,865 1,881 11.083,882 8.233,883 4.528,884 2.394,886 4.063,887 1.547,888 1.03,889 2.801,890 11.493,891 3.584,892 4.311,893 5.007,894 5.697,895 6.268,896 6.744,897 7.278,898 7.792,899 8.093,900 8.552,901 0.833,902 35,903 8.097,905 3.492,906 7.496,907 15.807,909 13.453,911 1.996,912 43.917,913 0.001,915 1,916 188.338,917 110.085,918 66.897,923 110.085,924 188.338,925 66.897,926 26.476,928 66.334,929 35.776,930 43.495,931 4.901,932 188.338,934 188.338,935 176.982,939 188.338,943 66.54,944 76.993,945 33.449,947 188.338,948 66.897,949 110.085,952 188.338,953 17.276,954 92.809,955 33.449,956 33.449,957 188.338,958 66.897,959 110.085,961 0.607,962 0.347,963 0.182,964 0.098,965 22,966 9,967 0.047,968 2,969 2,970 1.222,971 3.41,972 185.233,973 0.222,974 18,975 93.353,981 13.382,982 4.604,983 2.21,984 4.064,985 33.449,986 14.481,987 9.09,988 6.478,991 3.048,993 33.449,994 365.32,995 35,1007 39.592,1008 44.9,1009 0.257,1010 0.64,1011 0.742,1012 0.834,1013 0.844,1014 0.844,1015 4.844,1016 1.364,1017 5.771,1018 4.061,1019 4.344,1020 4.997,1022 6.671,1023 4.297,1024 6.119,1025 1.009,1026 7.393,1027 3.402,1028 4.205,1029 4.987,1031 7.895,1032 4.15,1033 7.477,1034 0.475,1035 9.125,1036 2.536,1037 6.08,1038 7.366,1040 10.929,1041 5.995,1042 8.875,1043 0.407,1044 10.921,1045 1.159,1046 6.735,1047 8.181,1049 12.923,1050 6.644,1051 10.304,1052 -0.599,1053 12.757,1054 1.069,1055 8.151,1056 10.043,1058 15.538,1059 8.039,1060 11.754,1061 -0.791,1062 14.62,1063 -1.688,1064 9.121,1065 11.234,1067 17.803,1068 9.003,1069 13.221,1070 -0.856,1071 16.501,1072 -2.021,1073 10.379,1074 12.885,1076 20.292,1077 10.247,1078 3.337,1079 -0.935,1080 18.395,1081 -2.195,1082 11.474,1083 14.249,1085 22.659,1086 11.335,1087 3.179,1088 11.713,1089 20.299,1090 -2.722,1091 12.677,1092 15.812,1094 25.109,1095 12.528,1096 2.852,1097 10.975,1098 22.211,1099 4.595,1100 13.822,1101 17.255,1103 27.516,1104 13.666,1105 2.235,1106 9.336,1107 24.128,1108 4.365,1109 15.008,1110 18.783,1112 29.956,1113 14.845,1114 1.636,1115 7.259,1116 26.051,1117 3.594,1118 16.174,1119 20.261,1121 32.381,1122 16.006,1123 1.546,1124 4.888,1125 27.977,1126 3.038,1127 17.357,1128 21.776,1130 34.819,1131 17.183,1132 1.534,1133 4.334,1134 29.906,1135 2.322,1136 18.533,1137 23.271,1139 37.254,1140 18.355,1141 4745,1142 7053,1143 16.701,1144 27.353,1145 39.858,1146 39.053,1147 39.277,1148 39.098,1149 39.148,1150 54.422,1152 121.463,1153 38.195,1154 5.335,1155 5.548,1156 6.801,1157 5.379,1158 5.337,1159 7.595,1161 18.966,1162 5.327,1163 10.033,1164 1.594,1165 1.562,1166 1.571,1167 1.564,1168 1.566,1169 2.177,1171 4.859,1172 1.528,1173 4.179,1174 4.221,1175 4.15,1176 4.064,1177 5.155,1178 4.079,1179 4.007,1180 4.043,1181 3.966,1182 3.924,1183 4.956,1184 3.929,1185 3.7,1186 3.761,1187 3.589,1188 3.571,1189 4.441,1190 3.569,1191 3.395,1192 3.462,1193 3.294,1194 3.242,1195 4.364,1196 3.247,1197 3.156,1198 3.235,1199 3.044,1200 2.952,1201 4.067,1202 2.969,1203 2.89,1204 3.009,1205 2.772,1206 2.774,1207 3.812,1208 2.764,1209 2.881,1210 3.009,1211 2.756,1212 2.743,1213 3.711,1214 2.738,1215 2.874,1216 2.958,1217 2.499,1218 2.618,1219 3.467,1220 2.57,1221 0.186,1222 0.142,1223 0.285,1224 0.173,1225 0.133,1226 4.651,1227 0.184,1228 3.548,1230 7.12,1231 0.469,1232 4.333,1233 0.133,1234 3.337,1235 4.595,1237 11.713,1238 3.327,1239 1.971,1240 1.944,1241 2.087,1242 2.058,1243 1.294,1244 2.068,1245 1.926,1246 1.904,1247 2.016,1248 1.996,1249 1.138,1250 2.004,1251 1.623,1252 1.565,1253 1.835,1254 1.819,1255 0.967,1256 1.816,1257 1.513,1258 1.451,1259 1.603,1260 1.748,1261 0.634,1262 1.727,1263 1.089,1264 1.007,1265 1.417,1266 1.419,1267 0.469,1268 1.376,1269 0.934,1270 0.868,1271 1.417,1272 1.239,1273 0.469,1274 1.308,1275 0.934,1276 0.816,1277 1.262,1278 1.239,1279 0.261,1280 1.308,1281 0.914,1282 0.804,1283 1.115,1284 1.077,1285 0.188,1286 1.092,1287 3.932,1289 5.313,1290 3.045,1291 6.876,1292 5.416,1293 8.518,1294 7.535,1295 10.2,1297 6.637,1310 0.119,1314 25.773,1315 54.76,1316 136.29,1317 157.941,1318 177.593,1319 179.593,1320 179.593,1321 25.097,1322 7.43,1323 57.36,1324 57.36,1325 22,1326 12.608,1327 4.392,1328 3.459,1329 29.946,1330 70,1331 58,1332 0.219,1333 157.617,1334 249.8,1335 376.346,1336 15801,1338 15.32,1339 0.696,1340 0.588,1341 15.32,1342 12.936,1343 10.521,1344 0.421,1345 0.298,1346 7.398,1347 10.273,1348 7.073,1349 5.951,1350 10.521,1351 7.46,1352 10.577,1353 0.278,1354 0.176,1355 10.577,1356 6.683,1357 8.57,1358 0.168,1359 0.079,1360 8.57,1361 4.047,1362 7.3,1363 0.106,1364 0.04,1365 7.3,1366 2.73,1367 5.892,1368 0.068,1369 0.021,1370 5.892,1371 1.816,1372 0.335,1373 64.851,1374 0.245,1375 21.356,1376 0.623,1377 126,1378 287.956,1379 133.605,1380 293.291,1381 423.65,1382 276,1383 152,1384 338.522,1385 160.992,1386 349.021,1387 512.77,1388 328,1389 6.2}
{0 CHEMBL1970142,1 1.643,2 16.553,3 3.85,4 14.824,5 151.902,6 8.088,7 0.643,8 4.28,9 4.404,10 3.946,11 3.864,12 5.451,13 3.834,14 4.768,15 4.93,16 4.321,17 4.261,18 5.917,19 4.209,20 4.987,21 5.165,22 4.395,23 4.392,24 6.128,25 4.324,26 5.102,27 5.296,28 4.455,29 4.433,30 6.275,31 4.345,32 5.107,33 5.329,34 4.342,35 4.367,36 6.209,37 4.264,38 4.946,39 5.164,40 4.169,41 4.242,42 6.023,43 4.156,44 4.883,45 5.093,46 4.165,47 4.228,48 5.958,49 4.13,50 4.924,51 5.137,52 4.162,53 4.21,54 6.033,55 4.106,56 0.091,57 1.024,58 12.264,59 5.526,60 12.804,61 6.799,62 0.334,63 1.601,64 23.501,65 9.56,66 34.827,67 12.097,68 0.373,69 1.909,70 29.709,71 11.601,72 45.491,73 14.461,74 0.448,75 2.1,76 37.552,77 13.528,78 70.703,79 16.849,80 0.496,81 2.076,82 44.102,83 14.385,84 66.266,85 17.757,86 0.371,87 1.761,88 32.491,89 11.4,90 56.693,91 14.597,92 0.261,93 1.689,94 29.175,95 11.193,96 38.005,97 14.695,98 0.47,99 1.716,100 35.162,101 12.06,102 58.064,103 14.998,104 40,105 60,106 0.257,107 0.634,108 0.796,109 0.839,110 0.854,111 0.859,112 3.668,113 0.92,114 -4.08,115 -4.03,116 -3.82,119 43.1,120 2,124 1,127 1,142 8,143 6,144 2,145 2,147 1,151 2,152 1,158 1,159 1,163 1,164 1,165 1,166 1,172 12,175 5,177 1,178 4,179 1,180 5,183 17,185 1,187 1,188 6,191 1,193 6,196 14,198 1,199 1,200 6,203 1,205 9,208 7,210 3,212 2,213 11,218 10,221 6,223 3,225 7,230 6,233 8,235 2,238 5,240 2,241 2,243 3,246 12,249 1,250 7,253 2,254 1,255 4,257 1,258 9,264 6,269 4,272 9,274 1,276 3094,277 25.61,278 25.61,279 25.61,280 25.61,281 25.61,282 22.187,283 26.286,284 14.757,285 26.098,286 20.615,287 20.615,288 20.615,289 20.615,290 20.615,291 15.327,292 33.219,293 6.912,294 21.33,295 4.379,296 1.967,297 0.927,298 0.65,299 0.558,300 0.527,301 4.369,306 1,307 1362,308 4.183,311 194.263,312 377.829,315 170.896,319 2.711,320 32.942,323 0.75,324 0.67,325 0.83,326 0.5,328 0.67,329 0.5,330 0.56,331 81.5,332 629,333 4.749,334 3.741,335 7.013,336 4.285,337 3.318,338 4.726,339 1.953,340 11.981,341 3.208,342 4.307,343 3.562,344 6.419,345 3.965,346 2.993,347 3.92,348 1.656,349 9.841,350 2.91,351 4.107,352 3.327,353 6.259,354 3.76,355 2.776,356 3.67,357 0.263,358 9.184,359 2.728,360 4.039,361 2.896,362 5.757,363 3.671,364 2.693,365 3.622,366 0.247,367 7.805,368 2.627,369 3.902,370 2.706,371 5.574,372 3.529,373 2.545,374 3.272,376 7.529,377 2.5,378 3.705,379 2.654,380 5.354,381 3.334,382 2.353,383 3.018,385 6.951,386 2.299,387 3.514,388 2.461,389 5.2,390 3.127,391 2.147,392 2.826,394 6.042,395 2.097,396 3.474,397 2.29,398 4.959,399 3.015,400 2.066,401 2.819,403 5.873,404 1.961,405 3.28,406 2.238,407 4.891,408 2.823,409 1.862,410 2.551,412 5.171,413 1.793,414 3.166,415 1.944,416 4.609,417 2.698,418 1.735,419 2.364,421 4.831,422 1.629,423 2.839,424 1.576,425 4.446,426 2.389,427 1.414,428 1.951,430 4.055,431 1.372,432 2.557,433 1.139,434 4.037,435 2.025,436 1.076,437 1.582,439 2.949,440 1.012,441 2.5,442 1.093,443 3.632,444 2,445 1,446 1.5,448 2.275,449 1,450 2.5,451 1,452 3.414,453 2,454 1,455 1.5,457 2.275,458 1,459 2.296,460 1,461 3.414,462 1.8,463 0.889,464 1.208,466 2.175,467 0.799,468 18.3,469 0.482,470 1.01,471 0.027,472 53,473 1.395,474 28.5,475 0.75,476 24.5,477 0.645,478 32.34,479 0.851,480 39.3,481 0.605,482 44.526,483 1.172,484 10.457,485 0.275,486 7.876,487 0.207,488 0.14,490 0.377,496 0.801,497 1.118,498 0.746,499 0.869,500 0.679,501 0.834,502 0.611,503 0.979,504 0.802,505 0.868,506 0.523,507 0.83,508 1.103,509 1.022,510 0.937,511 0.917,512 1.043,513 0.967,514 1.135,515 1.143,516 1.045,517 1.077,518 1.168,519 1.039,520 1.137,521 1.067,522 1.247,523 1.157,524 1.075,525 0.992,526 1.154,527 1.021,528 1.006,529 0.926,530 1.09,531 0.936,532 0.714,533 1.072,534 0.934,535 1.068,536 0.674,537 1.056,538 0.974,539 0.993,540 1.183,541 1.16,542 1.039,543 1.05,544 8,545 0.248,546 4.889,547 2.653,548 2.229,549 1.439,550 0.997,551 0.569,552 0.471,553 0.489,554 25094,555 68947,556 2.081,557 41.5,558 3,559 12,560 2,561 2,562 5,564 3,567 1.784,568 1.932,569 3.965,570 2.214,577 106.815,578 1.643,579 4.055,580 5.095,581 5.372,582 5.464,583 5.495,584 3.517,585 4.912,586 5.211,587 4.149,588 2916.69,589 9.163,590 50214.5,595 391.454,596 1.462,597 5.171,598 0.19,599 0.007,600 0.081,601 0.043,602 0.037,603 0.026,604 0.02,605 0.012,606 0.01,607 0.012,608 0.438,609 0.17,610 0.75,611 0.973,612 214.303,613 -0.057,614 0.03,615 0.044,616 0.074,617 -0.105,618 0.059,619 0.191,620 0.116,621 0.097,622 0.114,623 0.104,624 0.105,625 -0.109,626 0.032,627 -0.042,628 0.037,629 -0.092,630 -0.035,631 -0.065,632 -0.118,633 -0.006,634 -0.05,635 -0.049,636 -0.075,637 -0.075,638 -0.054,639 -0.048,640 -0.052,641 -0.024,642 0.007,643 -0.168,644 -0.016,645 -0.044,646 0.041,647 -0.118,648 0.033,649 0.029,650 -0.068,651 0.006,652 -0.078,653 0.005,654 -0.066,655 0.036,656 0.011,657 -0.066,658 -0.088,659 -0.027,660 -0.055,661 1.98,662 5.396,663 0.684,664 56.593,665 1.004,666 1.123,667 2.854,668 8.144,669 0.696,670 3.761,671 4.111,672 4.407,673 4.682,674 4.898,675 5.037,676 5.215,677 5.389,678 5.525,679 5.652,680 9.224,681 0.662,682 525.69,683 3.761,684 5.323,685 6.188,686 7.079,687 7.962,688 8.86,689 9.752,690 10.655,691 11.554,692 12.461,693 10.8,697 1,700 3,701 1,703 2,708 2,709 12,710 2,713 1,714 8,715 1,716 27,727 1,735 65,737 29,738 2,739 42,741 69,742 28,743 22,744 4,745 8,748 5,749 6,753 1,754 2,760 1,762 24,763 4,767 2,772 2,776 2,783 27,784 8,785 5,786 10,787 1,792 7,797 0.8,798 2,807 1,809 1,815 2,816 3,819 1,829 1,843 4,845 1,847 3,851 38,852 1,860 3,863 1,869 1,874 3.1,877 2,881 19.667,882 12.517,883 8.306,884 3.669,886 5.215,887 1.594,888 1.017,889 7.451,890 13.996,891 4.069,892 4.714,893 5.338,894 5.977,895 6.514,896 6.922,897 7.424,898 7.926,899 8.33,900 8.755,901 1,902 62,903 14.008,905 5.995,906 7.781,907 26.521,909 21.752,911 2.281,912 86.667,916 258.964,917 203.994,918 122.155,920 50.29,922 31.278,923 172.717,924 309.254,925 122.155,926 26.047,927 54.032,928 125.404,929 111.985,930 43.886,931 30.892,932 243.158,934 258.964,935 294.871,936 50.29,937 31.278,939 223.651,940 85.603,943 91.554,944 169.869,945 33.449,946 31.278,947 258.964,948 172.444,949 203.994,952 258.964,953 67.346,954 138.425,955 54.032,956 116.636,957 258.964,958 172.444,959 203.994,961 0.588,962 0.35,963 0.184,964 0.097,965 29,966 14,967 0.087,968 6,969 1,970 1.077,971 4.822,972 372.749,973 0.077,974 26,975 187.421,977 1,981 25.89,982 10.936,983 5.45,984 1.844,985 170.668,986 22.562,987 8.833,990 1.574,991 6.614,992 1.631,993 86.929,994 635.403,995 57.5,1000 24.422,1004 -0.434,1007 65.28,1008 72.979,1009 0.273,1010 0.673,1011 0.846,1012 0.892,1013 0.907,1014 0.912,1015 5.312,1016 2.066,1017 6.188,1018 6.042,1019 4.796,1020 5.403,1021 2.517,1022 7.024,1023 4.731,1024 6.543,1025 1.862,1026 7.766,1027 5.873,1028 4.443,1029 5.263,1030 1.977,1031 7.978,1032 4.375,1033 7.864,1034 1.735,1035 9.441,1036 5.171,1037 6.418,1038 7.653,1039 3.423,1040 11.096,1041 6.299,1042 9.223,1043 1.414,1044 11.175,1045 4.831,1046 6.878,1047 8.353,1048 3.457,1049 12.903,1050 6.747,1051 10.612,1052 1.076,1053 12.946,1054 4.055,1055 8.327,1056 10.212,1057 4.513,1058 15.561,1059 8.155,1060 12.024,1061 1,1062 14.746,1063 2.949,1064 9.154,1065 11.323,1066 4.823,1067 17.737,1068 8.958,1069 13.454,1070 1,1071 16.567,1072 2.275,1073 10.409,1074 12.975,1075 5.693,1076 20.252,1077 10.178,1078 3.318,1079 0.889,1080 18.406,1081 2.275,1082 11.41,1083 14.299,1084 6.154,1085 22.592,1086 11.149,1087 2.993,1088 11.981,1089 20.259,1090 2.175,1091 12.595,1092 15.87,1093 6.928,1094 25.066,1095 12.3,1096 2.776,1097 9.841,1098 22.123,1099 4.726,1100 13.682,1101 17.304,1102 7.474,1103 27.478,1104 13.352,1105 2.693,1106 9.184,1107 23.998,1108 3.92,1109 14.846,1110 18.848,1111 8.196,1112 29.944,1113 14.483,1114 2.545,1115 7.805,1116 25.881,1117 3.67,1118 15.975,1119 20.338,1120 8.792,1121 32.39,1122 15.577,1123 2.353,1124 7.529,1125 27.772,1126 3.622,1127 17.138,1128 21.876,1129 9.487,1130 34.858,1131 16.705,1132 2.147,1133 6.951,1134 29.67,1135 3.272,1136 18.29,1137 23.394,1138 10.112,1139 37.32,1140 17.821,1141 23726,1142 39514,1143 27.857,1144 45.211,1145 63.663,1146 65.47,1147 66.36,1148 62.886,1149 62.952,1150 85.257,1151 8.239,1152 185.424,1153 60.78,1154 5.614,1155 5.741,1156 6.557,1157 5.398,1158 5.318,1159 7.726,1160 3.416,1161 19.553,1162 5.208,1163 21.408,1164 1.516,1165 1.559,1166 1.58,1167 1.497,1168 1.499,1169 2.03,1170 0.196,1171 4.415,1172 1.447,1173 4.144,1174 4.163,1175 4.346,1176 4.137,1177 7.432,1178 4.1,1179 3.941,1180 3.984,1181 3.902,1182 3.861,1183 7.427,1184 3.858,1185 3.923,1186 3.961,1187 3.884,1188 3.811,1189 5.191,1190 3.817,1191 3.818,1192 3.854,1193 3.798,1194 3.698,1195 4.931,1196 3.704,1197 3.565,1198 3.622,1199 3.515,1200 3.386,1201 4.784,1202 3.395,1203 3.446,1204 3.497,1205 3.409,1206 3.195,1207 4.742,1208 3.232,1209 3.279,1210 3.352,1211 3.385,1212 3.133,1213 4.563,1214 3.12,1215 3.23,1216 3.316,1217 3.052,1218 3,1219 4.245,1220 2.986,1221 0.113,1222 0.089,1223 0.167,1224 0.102,1225 0.079,1226 4.749,1227 0.113,1228 3.741,1229 0.047,1230 7.013,1231 0.285,1232 4.285,1233 0.076,1234 3.318,1235 4.726,1236 1.953,1237 11.981,1238 3.208,1239 1.966,1240 1.947,1241 2.044,1242 2.049,1243 1.191,1244 2.047,1245 1.913,1246 1.884,1247 2.028,1248 2.008,1249 1.131,1250 2.015,1251 1.847,1252 1.828,1253 1.904,1254 1.95,1255 1.082,1256 1.944,1257 1.685,1258 1.628,1259 1.857,1260 1.917,1261 1.026,1262 1.903,1263 1.461,1264 1.437,1265 1.647,1266 1.636,1267 0.693,1268 1.634,1269 1.325,1270 1.275,1271 1.571,1272 1.623,1273 0.663,1274 1.609,1275 1.295,1276 1.222,1277 1.533,1278 1.532,1279 0.619,1280 1.534,1281 1.244,1282 1.183,1283 1.366,1284 1.381,1285 0.509,1286 1.409,1287 4.443,1289 5.784,1290 3.045,1291 7.31,1292 5.352,1293 8.921,1294 7.445,1295 10.579,1297 5.392,1301 6.332,1305 8.331,1308 -0.434,1314 43.034,1315 106.815,1316 263.605,1317 331.189,1318 349.189,1319 355.189,1320 357.189,1321 69.506,1322 8.781,1323 126.96,1324 155.2,1325 28,1326 12.98,1327 4.907,1328 4.044,1329 59.442,1330 207,1331 240,1332 0.137,1333 268.089,1334 452.79,1335 645.897,1336 97016,1338 26.811,1339 0.706,1340 0.578,1341 27.164,1342 21.966,1343 18.334,1344 0.437,1345 0.307,1346 11.933,1347 17.267,1348 11.477,1349 9.586,1350 18.788,1351 12.886,1352 16.762,1353 0.279,1354 0.164,1355 17.286,1356 9.812,1357 14.493,1358 0.179,1359 0.091,1360 15.197,1361 7.336,1362 11.835,1363 0.111,1364 0.049,1365 12.803,1366 5.287,1367 9.34,1368 0.07,1369 0.026,1370 10.207,1371 3.498,1372 0.222,1373 118.844,1374 0.189,1375 35.027,1376 0.359,1377 204,1378 577.578,1379 243.311,1380 591.017,1381 815.4,1382 552,1383 243,1384 597.712,1385 281.385,1386 623.85,1387 910.18,1388 586,1389 7.5}
{0 CHEMBL1970189,1 1.749,2 5.95,3 2.655,4 7.049,5 76.815,6 9.25,7 0.5,8 3.576,9 3.682,10 3.318,11 3.17,12 4.849,13 3.171,14 4.044,15 4.171,16 3.723,17 3.573,18 5.232,19 3.554,20 4.263,21 4.399,22 3.863,23 3.731,24 5.442,25 3.697,26 4.404,27 4.576,28 3.892,29 3.778,30 5.705,31 3.728,32 4.358,33 4.537,34 3.891,35 3.723,36 5.653,37 3.678,38 4.286,39 4.462,40 3.875,41 3.526,42 5.796,43 3.479,44 4.093,45 4.367,46 2.559,47 3.019,48 5.243,49 2.813,50 3.373,51 3.77,52 0.798,53 2.001,54 3.951,55 1.625,56 0.097,57 0.473,58 4.098,59 2.35,60 11.649,61 2.568,62 0.194,63 0.708,64 8.183,65 4.257,66 17.987,67 5.074,68 0.258,69 0.85,70 12.06,71 5.381,72 27.717,73 6.054,74 0.392,75 0.975,76 17.843,77 6.178,78 56.246,79 7.113,80 0.312,81 0.928,82 15.949,83 5.978,84 40.629,85 6.97,86 0.453,87 0.847,88 14.792,89 4.859,90 50.168,91 5.489,92 0.42,93 0.617,94 21.295,95 4.826,96 60.168,97 5.72,98 0.185,99 0.267,100 11.049,101 2.984,102 24.493,103 4.47,104 18,105 32,106 0.325,107 0.737,108 0.821,109 0.869,110 0.881,111 0.881,112 3.061,113 0.87,114 -3.66,115 -3.63,116 -3.46,119 45.2,120 1,122 1,136 1,139 1,142 4,143 2,144 1,147 1,152 1,158 1,163 1,164 1,165 1,168 1,172 7,174 1,175 4,177 1,178 1,180 3,183 11,185 1,188 4,191 1,193 2,196 10,198 1,199 1,200 6,202 2,203 2,205 4,208 10,210 2,213 3,217 1,218 2,220 1,221 3,223 1,224 1,225 10,228 1,230 7,233 3,235 4,238 3,243 2,246 1,248 1,276 478,277 13.491,278 13.491,279 13.491,280 13.491,281 13.491,282 11.633,283 14.014,284 7.742,285 13.835,286 10.76,287 10.76,288 10.76,289 10.76,290 10.76,291 8.003,292 15.265,293 3.527,294 11.373,295 3.205,296 0.992,297 0.54,298 0.282,299 0.218,300 0.218,301 3.733,302 1,304 1,305 1,306 1,307 252,308 2.236,311 38.183,312 96.405,315 69.679,319 0.77,320 21.404,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 43.333,332 119,333 4.656,334 4.156,335 7.125,336 4.335,337 3.361,338 4.243,339 2.278,340 12.411,341 3.276,342 4.151,343 3.662,344 6.238,345 3.706,346 2.76,347 3.772,348 1.248,349 9.127,350 2.607,351 4.054,352 3.13,353 5.97,354 3.514,355 2.565,356 3.502,357 1.041,358 8.202,359 2.412,360 3.315,361 2.803,362 5.196,363 2.898,364 1.995,365 2.384,367 6.038,368 1.784,369 3.154,370 2.589,371 4.781,372 2.619,373 1.669,374 2.182,376 4.737,377 1.578,378 2.994,379 2.026,380 4.101,381 2.353,382 1.414,383 2.009,385 3.29,386 1.268,387 2.859,388 1.659,389 3.867,390 2.191,391 1.225,392 1.668,394 2.918,395 1.168,396 2.599,397 1.401,398 3.608,399 2.03,400 1.076,401 1.563,403 2.626,404 1.021,405 2.161,406 1.194,407 3.321,408 1.507,409 0.547,410 0.829,412 1.09,413 0.519,414 1.312,415 0.625,416 2.736,417 0.772,418 -0.102,419 -0.124,421 -0.22,422 -0.076,423 0.989,424 0.429,425 2.359,426 0.692,427 -0.234,428 -0.298,430 -0.458,431 -0.213,432 0.802,433 0.055,434 2.337,435 0.338,436 -0.532,437 -0.696,439 -1.338,440 -0.43,441 0.551,442 -0.351,443 2,444 0.148,445 -0.791,446 -0.973,448 -1.903,449 -0.73,450 0.332,451 -0.683,452 2,453 -0.016,454 -1,455 -1.393,457 -2.538,458 -0.987,459 -0.059,460 -0.889,461 1.641,462 -0.439,463 -1.349,464 -1.558,466 -3.459,467 -1.145,468 9.648,469 0.482,470 0.542,471 0.027,472 27.25,473 1.363,474 14.5,475 0.725,476 12.75,477 0.638,478 15.195,479 0.76,480 20.352,481 0.657,482 18.343,483 0.917,484 5.415,485 0.271,486 4.215,487 0.211,488 0.209,490 0.415,496 0.828,497 0.9,498 0.562,499 0.74,500 0.698,501 0.707,502 0.632,503 0.998,504 0.562,505 0.845,506 0.452,507 0.793,508 1.035,509 1.079,510 0.89,511 0.989,512 0.758,513 0.96,514 1.089,515 0.955,516 1.141,517 0.989,518 0.965,519 0.99,520 1.092,521 1.134,522 0.919,523 0.922,524 1.109,525 0.904,526 0.863,527 1.341,528 1.084,529 1.379,530 1.057,531 1.31,532 1.649,533 0.874,534 1.971,535 1.331,536 2.1,537 1.445,538 0.593,539 0.4,540 0.521,541 0.535,542 0.665,543 0.707,544 3.5,546 2.667,547 2.035,548 1.728,549 1.118,550 0.364,551 0.098,554 3027,555 10554,556 2.048,557 35.5,558 1,559 4,562 3,563 3,567 1.631,568 1.875,569 2.565,570 1.152,572 1,574 1,577 54.223,578 1.749,579 3.962,580 4.414,581 4.672,582 4.736,583 4.736,584 1.857,585 4.222,586 4.298,587 2.686,588 510.42,589 7.409,590 5178.64,591 1,592 1,593 1,594 1,595 153.58,596 1.522,597 4.231,598 0.159,600 0.083,601 0.058,602 0.049,603 0.033,604 0.014,605 0.016,608 0.413,609 0.67,610 1,611 0.897,612 84.599,613 -0.071,614 0.209,615 -0.005,616 0.109,617 -0.073,618 0.087,619 0.172,620 0.013,621 0.113,622 0.075,623 0.09,624 0.094,625 -0.08,626 -0.096,627 -0.054,628 -0.045,629 -0.075,630 -0.063,631 -0.092,632 0.039,633 -0.14,634 -0.032,635 0.024,636 -0.064,637 -0.119,638 -0.16,639 0.044,640 0.04,641 -0.064,642 0.045,643 0.252,644 -0.316,645 0.005,646 -0.461,647 0.223,648 -0.426,649 -0.47,650 0.019,651 -0.593,652 -0.288,653 -0.59,654 -0.36,655 0.171,656 0.303,657 0.524,658 0.625,659 0.158,660 0.712,661 1.698,662 3.396,663 0.75,664 10.7,665 1.019,666 1.123,667 2.433,668 5.918,669 0.722,670 3.135,671 3.497,672 3.85,673 4.19,674 4.431,675 4.511,676 4.511,677 4.543,678 4.407,679 4.205,680 4.043,681 0.701,682 286.74,683 3.135,684 4.691,685 5.58,686 6.497,687 7.41,688 8.335,689 9.256,690 10.183,691 11.105,692 12.034,693 12.9,694 1,701 1,702 1,703 1,709 4,710 1,711 1,714 5,716 11,733 1,734 1,735 31,737 13,738 1,739 22,741 33,742 14,743 9,744 2,745 4,748 3,749 4,750 1,754 1,758 1,761 1,762 11,763 2,764 1,767 1,776 2,779 1,780 1,783 11,784 4,785 3,786 6,787 1,792 4,797 0.667,798 1,807 1,815 1,816 2,819 1,825 1,835 1,836 1,843 2,847 1,848 1,851 20,852 1,861 1,863 1,866 1,870 1,872 1,873 1,874 3.2,879 1,881 10.667,882 5.96,883 4.444,884 1.727,886 2.559,887 1.38,888 1.001,889 3.168,890 9.3,891 3.45,892 4.056,893 4.665,894 5.256,895 5.712,896 6.014,897 6.347,898 6.698,899 6.863,900 6.912,901 0.75,902 35,903 7.318,905 3.169,906 7.931,907 13.602,909 11.203,911 2.431,912 48.611,916 94.169,917 88.775,918 97.283,919 39.149,920 11,923 88.775,924 144.317,925 97.283,926 8.825,927 32.897,928 37.905,929 33.265,930 76.594,931 7.571,932 94.169,933 39.149,934 94.169,935 186.058,936 11,937 39.149,939 94.169,940 11,943 89.445,944 79.95,945 55.812,947 94.169,948 108.282,949 127.924,952 94.169,953 25.443,954 46.73,955 33.265,956 130.768,957 94.169,958 108.282,959 127.924,961 0.586,962 0.371,963 0.219,964 0.123,965 17,966 8,967 0.03,968 1,969 1,970 1.133,971 3.027,972 162.532,973 0.133,974 15,975 86.439,981 13.042,982 4.858,983 1.995,985 91.619,986 7.371,987 4.067,988 2.854,991 3.396,993 49.56,994 330.375,995 30.5,1004 0.409,1007 31.593,1008 34.807,1009 0.353,1010 0.8,1011 0.891,1012 0.943,1013 0.956,1014 0.956,1015 4.716,1016 1.076,1017 5.595,1018 2.918,1019 4.174,1020 4.741,1021 2.759,1022 6.497,1023 4.07,1024 5.961,1025 0.547,1026 7.212,1027 2.626,1028 3.892,1029 4.59,1030 1.06,1031 7.597,1032 3.724,1033 7.298,1034 -0.102,1035 8.933,1036 1.09,1037 5.844,1038 6.962,1039 4.07,1040 10.775,1041 5.67,1042 8.671,1043 -0.234,1044 10.717,1045 -0.22,1046 6.399,1047 7.644,1048 2.057,1049 12.724,1050 6.184,1051 10.075,1052 -0.532,1053 12.54,1054 -0.458,1055 7.846,1056 9.47,1057 5.62,1058 15.441,1059 7.621,1060 11.502,1061 -0.791,1062 14.39,1063 -1.338,1064 8.768,1065 10.533,1066 3.537,1067 17.73,1068 8.515,1069 12.947,1070 -1,1071 16.26,1072 -1.903,1073 10.038,1074 12.13,1075 7.233,1076 20.304,1077 9.771,1078 3.361,1079 -1.349,1080 18.146,1081 -2.538,1082 11.119,1083 13.373,1084 5.286,1085 22.729,1086 10.828,1087 2.76,1088 12.411,1089 20.044,1090 -3.459,1091 12.332,1092 14.871,1093 8.862,1094 25.26,1095 12.024,1096 2.565,1097 9.127,1098 21.952,1099 4.243,1100 13.48,1101 16.204,1102 7.087,1103 27.74,1104 13.151,1105 1.995,1106 8.202,1107 23.867,1108 3.772,1109 14.679,1110 17.659,1111 10.494,1112 30.259,1113 14.331,1114 1.669,1115 6.038,1116 25.79,1117 3.502,1118 15.857,1119 19.036,1120 8.88,1121 32.761,1122 15.489,1123 1.414,1124 4.737,1125 27.718,1126 2.384,1127 17.056,1128 20.475,1129 12.128,1130 35.278,1131 16.667,1132 1.225,1133 3.29,1134 29.651,1135 2.182,1136 18.248,1137 21.877,1138 10.654,1139 37.789,1140 17.838,1141 3051,1142 5782,1143 14.334,1144 22.381,1145 34.929,1146 36.353,1147 36.051,1148 33.45,1149 33.225,1150 44.302,1151 9.135,1152 100.879,1153 31.266,1154 5.494,1155 6.156,1156 6.809,1157 5.433,1158 5.361,1159 7.243,1160 4.525,1161 19.961,1162 5.276,1163 10.274,1164 1.588,1165 1.652,1166 1.639,1167 1.52,1168 1.51,1169 2.014,1170 0.415,1171 4.585,1172 1.421,1173 4.061,1174 4.091,1175 4.08,1176 3.968,1177 6.82,1178 3.974,1179 3.826,1180 3.862,1181 3.882,1182 3.717,1183 5.181,1184 3.726,1185 3.56,1186 3.612,1187 3.526,1188 3.399,1189 4.94,1190 3.421,1191 3.054,1192 3.14,1193 3.291,1194 2.856,1195 4.905,1196 2.847,1197 2.992,1198 3.09,1199 2.956,1200 2.801,1201 4.341,1202 2.809,1203 2.922,1204 3.005,1205 2.853,1206 2.777,1207 4.172,1208 2.762,1209 2.877,1210 2.921,1211 2.736,1212 2.603,1213 3.853,1214 2.639,1215 2.544,1216 2.634,1217 2.462,1218 2.269,1219 3.668,1220 2.277,1221 0.212,1222 0.189,1223 0.324,1224 0.197,1225 0.153,1226 4.656,1227 0.193,1228 4.156,1229 0.104,1230 7.125,1231 0.564,1232 4.335,1233 0.149,1234 3.361,1235 4.243,1236 2.278,1237 12.411,1238 3.276,1239 1.954,1240 1.938,1241 2.029,1242 2.026,1243 1.255,1244 2.031,1245 1.692,1246 1.67,1247 1.812,1248 1.816,1249 0.93,1250 1.816,1251 1.478,1252 1.414,1253 1.664,1254 1.757,1255 0.716,1256 1.726,1257 1.131,1258 1.075,1259 1.253,1260 1.403,1261 0.194,1262 1.367,1263 0.946,1264 0.884,1265 1.196,1266 1.246,1267 0.16,1268 1.25,1269 0.867,1270 0.824,1271 1.111,1272 1.135,1273 0.094,1274 1.119,1275 0.806,1276 0.699,1277 1.018,1278 1.021,1279 0.033,1280 1.063,1281 0.697,1282 0.594,1283 0.925,1284 0.927,1286 0.943,1287 3.807,1289 5.153,1290 2.398,1291 6.715,1292 4.727,1293 8.383,1294 6.823,1295 10.109,1297 1.871,1298 6.269,1301 5.829,1306 5.397,1308 -0.365,1312 9.396,1313 2.117,1314 21.735,1315 54.223,1316 122.825,1317 136.825,1318 144.825,1319 146.825,1320 146.825,1321 32.91,1322 6.742,1323 87.72,1324 87.72,1325 17,1326 12.538,1327 3.807,1328 3.248,1329 29.461,1330 46,1331 46,1332 0.318,1333 138.97,1334 238.76,1335 330.847,1336 6155,1337 3.2,1338 14.276,1339 0.714,1340 0.57,1341 14.776,1342 11.401,1343 9.63,1344 0.438,1345 0.29,1346 5.955,1347 9.007,1348 5.766,1349 4.775,1350 9.919,1351 6.378,1352 8.68,1353 0.271,1354 0.154,1355 9.051,1356 4.921,1357 7.682,1358 0.167,1359 0.08,1360 8.04,1361 3.69,1362 6.806,1363 0.105,1364 0.041,1365 7.103,1366 2.664,1367 5.461,1368 0.066,1369 0.022,1370 5.728,1371 1.813,1372 0.458,1373 63.324,1374 0.264,1375 18.911,1376 1.022,1377 108,1378 334.874,1379 133.11,1380 360.669,1381 484.81,1382 334,1383 132,1384 342.84,1385 153.663,1386 356.869,1387 523.05,1388 335,1389 5.1}
{0 CHEMBL1970203,1 1.711,2 13.516,3 3.215,4 10.336,5 122.776,6 8.481,7 0.647,8 4.046,9 4.165,10 3.752,11 3.637,12 5.261,13 3.613,14 4.508,15 4.657,16 4.129,17 4.011,18 5.747,19 3.966,20 4.706,21 4.868,22 4.138,23 4.101,24 5.905,25 4.044,26 4.823,27 5.037,28 4.18,29 4.046,30 6.027,31 3.986,32 4.739,33 4.937,34 3.924,35 3.93,36 6.069,37 3.858,38 4.658,39 4.898,40 3.845,41 3.846,42 5.811,43 3.773,44 4.5,45 4.685,46 3.775,47 3.834,48 5.71,49 3.742,50 4.469,51 4.687,52 3.666,53 3.779,54 5.545,55 3.681,56 0.089,57 0.81,58 8.823,59 4.188,60 11.44,61 4.836,62 0.321,63 1.247,64 17.316,65 7.332,66 28.723,67 8.987,68 0.257,69 1.452,70 19.746,71 8.383,72 34.94,73 9.878,74 0.367,75 1.551,76 29.933,77 10.026,78 45.055,79 12.663,80 0.628,81 1.382,82 26.396,83 8.935,84 81.146,85 10.272,86 0.414,87 1.209,88 25.601,89 8.772,90 63.815,91 11.005,92 0.45,93 1.113,94 20.475,95 7.487,96 57.364,97 8.536,98 0.246,99 1.085,100 20.18,101 7.462,102 35.402,103 9.369,104 26,105 48,106 0.282,107 0.635,108 0.733,109 0.788,110 0.807,111 0.827,112 3.471,113 0.911,114 -3.99,115 -3.94,116 -3.74,119 43.1,120 2,142 7,143 4,144 3,147 1,148 1,151 1,158 1,159 1,161 1,163 1,164 1,165 1,172 9,174 1,175 4,177 1,178 4,179 1,180 8,183 12,185 1,188 3,193 8,196 6,198 1,200 8,202 1,203 1,205 9,208 5,210 1,212 2,213 6,215 1,216 3,217 2,218 4,220 1,221 4,225 3,230 3,233 8,238 4,241 2,242 1,243 3,246 10,248 2,250 4,255 3,258 10,260 2,263 1,264 1,267 1,269 4,272 6,276 1570,277 20.618,278 20.618,279 20.618,280 20.618,281 20.618,282 17.645,283 27.256,284 12.063,285 21.08,286 16.804,287 16.804,288 16.804,289 16.804,290 16.804,291 12.294,292 39.769,293 5.772,294 17.53,295 3.962,296 1.82,297 1.229,298 0.892,299 0.775,300 0.657,301 4.164,305 1,306 1,307 909,308 3.674,311 78.578,312 323.852,315 146.644,319 2.273,320 31.748,323 1,324 1,325 1,326 0.6,328 0.83,329 0.5,330 0.7,331 67,332 419,333 4.659,334 3.621,335 6.87,336 4.184,337 3.22,338 4.613,339 1.656,340 11.41,341 3.108,342 4.182,343 3.563,344 5.784,345 3.793,346 2.812,347 3.819,348 1.058,349 8.11,350 2.76,351 4.076,352 3.033,353 5.72,354 3.674,355 2.699,356 3.661,357 0.247,358 7.878,359 2.625,360 3.825,361 2.882,362 5.512,363 3.462,364 2.491,365 3.182,367 7.358,368 2.404,369 3.64,370 2.666,371 5.226,372 3.25,373 2.265,374 2.93,376 6.522,377 2.218,378 3.423,379 2.248,380 5.033,381 2.995,382 2.034,383 2.807,385 5.896,386 1.956,387 3.363,388 2.147,389 4.97,390 2.879,391 1.978,392 2.641,394 5.674,395 1.879,396 3.232,397 2.129,398 4.618,399 2.856,400 1.879,401 2.481,403 4.963,404 1.718,405 3.117,406 2.086,407 4.511,408 2.68,409 1.681,410 2.295,412 4.629,413 1.666,414 2.935,415 1.757,416 4.205,417 2.379,418 1.424,419 2.083,421 3.575,422 1.348,423 2.522,424 1.14,425 3.757,426 2,427 1.016,428 1.502,430 2.574,431 1,432 2.5,433 1,434 3.414,435 1.943,436 1,437 1.5,439 2.275,440 0.926,441 2.154,442 0.824,443 3.304,444 1.549,445 0.707,446 0.988,448 1.746,449 0.581,450 1.492,451 0.778,452 3.006,453 1.157,454 0.193,455 0.233,457 0.492,458 0.184,459 1.193,460 0.519,461 2.701,462 0.819,463 -0.161,464 -0.202,466 -0.445,467 -0.156,468 14.9,469 0.481,470 0.873,471 0.028,472 45.25,473 1.46,474 25,475 0.806,476 20.25,477 0.653,478 22.854,479 0.737,480 31.9,481 0.625,482 34.506,483 1.113,484 8.896,485 0.287,486 5.989,487 0.193,488 0.139,490 0.369,496 0.846,497 1.13,498 0.731,499 0.825,500 0.684,501 0.788,502 0.446,503 0.986,504 0.77,505 0.936,506 0.478,507 0.86,508 1.128,509 1.254,510 0.951,511 1.059,512 1.045,513 1.117,514 0.946,515 1.233,516 0.829,517 1.129,518 0.935,519 0.977,520 1.395,521 0.879,522 1.241,523 1.075,524 1.507,525 1.13,526 1.287,527 0.768,528 0.726,529 0.661,530 1.363,531 0.709,532 1.301,533 0.866,534 1.222,535 0.959,536 1.456,537 1.039,538 0.861,539 1.017,540 1.015,541 1.011,542 0.773,543 1.021,544 7.5,545 0.157,546 2.889,547 2.75,548 1.939,549 0.806,550 0.656,551 0.344,552 0.313,553 0.205,554 14937,555 43609,556 2.065,557 39.2,558 6,559 7,560 1,561 1,562 5,567 1.73,568 1.918,569 3.681,570 2.413,572 1,577 87.238,578 1.711,579 3.853,580 4.444,581 4.78,582 4.898,583 5.015,584 3.084,585 4.478,586 4.929,587 3.927,588 1826.05,589 8.567,590 27704.6,592 1,595 289.294,596 1.462,597 4.877,598 0.221,599 0.008,600 0.06,601 0.059,602 0.043,603 0.022,604 0.019,605 0.011,606 0.01,607 0.008,608 0.461,609 0.17,610 1,611 0.584,612 165.01,613 -0.138,614 0.001,615 0.029,616 0.094,617 -0.127,618 0.076,619 0.31,620 0.089,621 0.118,622 0.047,623 0.151,624 0.065,625 -0.189,626 -0.216,627 -0.136,628 -0.154,629 -0.154,630 -0.214,631 0.067,632 -0.271,633 0.189,634 -0.139,635 0.087,636 0.016,637 -0.022,638 0.116,639 -0.257,640 -0.134,641 -0.024,642 -0.207,643 -0.118,644 0.119,645 0.223,646 0.276,647 -0.065,648 0.311,649 -0.142,650 0.127,651 -0.222,652 0.045,653 -0.201,654 -0.086,655 -0.093,656 -0.054,657 -0.069,658 -0.031,659 -0.054,660 -0.011,661 2.012,662 5.667,663 0.677,664 34.127,665 1.01,666 1.122,667 2.762,668 7.63,669 0.704,670 3.555,671 3.892,672 4.127,673 4.419,674 4.554,675 4.575,676 4.595,677 4.727,678 4.691,679 4.796,680 8.216,681 0.675,682 432.55,683 3.555,684 5.106,685 5.948,686 6.832,687 7.687,688 8.573,689 9.434,690 10.32,691 11.186,692 12.074,693 11.8,697 1,700 3,703 2,708 2,709 9,710 2,713 1,714 7,716 22,723 1,727 1,735 51,737 24,738 2,739 34,741 54,742 22,743 18,744 5,745 7,746 1,748 4,749 5,753 1,754 2,762 20,763 2,767 2,772 2,776 2,780 1,783 20,784 8,785 5,786 9,787 1,792 6,797 0.75,798 2,810 1,815 1,816 3,819 1,843 3,845 1,847 2,851 31,852 1,860 3,869 1,874 3.9,877 2,881 16.167,882 9.733,883 6.694,884 2.761,886 4.048,887 1.52,888 1.02,889 6.048,890 11.833,891 3.871,892 4.514,893 5.087,894 5.712,895 6.176,896 6.385,897 6.638,898 7.037,899 7.068,900 7.406,901 0.889,902 47,903 11.421,905 4.883,906 7.876,907 21.345,909 17.238,911 2.376,912 73.667,915 1,916 176.567,917 163.555,918 120.5,920 50.29,922 31.278,923 132.277,924 226.856,925 120.5,926 17.65,927 54.032,928 106.88,929 100.654,930 29.019,931 18.375,932 184.302,934 176.567,935 252.778,936 50.29,937 31.278,939 176.567,940 50.29,943 80.618,944 138.588,945 33.571,946 31.278,947 176.567,948 170.79,949 163.555,952 176.567,953 63.303,954 100.252,955 54.032,956 116.758,957 176.567,958 170.79,959 163.555,961 0.587,962 0.334,963 0.189,964 0.096,965 23,966 11,967 0.074,968 4,969 1,970 1.095,971 4.313,972 270.494,973 0.095,974 21,975 140.825,977 1,981 21.066,982 8.9,983 4.941,984 1.207,985 170.79,986 15.748,987 8.088,990 1.332,991 4.742,993 86.929,994 510.912,995 47,1000 24.931,1004 -0.65,1007 51.527,1008 57.235,1009 0.302,1010 0.679,1011 0.783,1012 0.843,1013 0.863,1014 0.884,1015 5.103,1016 1.879,1017 5.943,1018 5.674,1019 4.575,1020 5.201,1021 2.084,1022 6.742,1023 4.498,1024 6.334,1025 1.681,1026 7.493,1027 4.963,1028 4.205,1029 5.075,1030 1.195,1031 7.594,1032 4.13,1033 7.649,1034 1.424,1035 9.137,1036 4.629,1037 6.159,1038 7.443,1039 2.617,1040 10.697,1041 6.021,1042 8.997,1043 1.016,1044 10.836,1045 3.575,1046 6.553,1047 8.112,1048 2.324,1049 12.415,1050 6.409,1051 10.373,1052 1,1053 12.573,1054 2.574,1055 8.011,1056 9.983,1057 3.348,1058 15.059,1059 7.816,1060 11.771,1061 0.707,1062 14.339,1063 2.275,1064 8.779,1065 11.062,1066 3.407,1067 17.186,1068 8.568,1069 13.187,1070 0.193,1071 16.13,1072 1.746,1073 10.035,1074 12.723,1075 4.204,1076 19.679,1077 9.783,1078 3.22,1079 -0.161,1080 17.94,1081 0.492,1082 10.994,1083 14.021,1084 4.464,1085 21.989,1086 10.715,1087 2.812,1088 11.41,1089 19.769,1090 -0.445,1091 12.17,1092 15.591,1093 5.132,1094 24.436,1095 11.854,1096 2.699,1097 8.11,1098 21.612,1099 4.613,1100 13.224,1101 17.001,1102 5.504,1103 26.82,1104 12.875,1105 2.491,1106 7.878,1107 23.469,1108 3.819,1109 14.373,1110 18.535,1111 6.1,1112 29.255,1113 13.988,1114 2.265,1115 7.358,1116 25.338,1117 3.661,1118 15.475,1119 20.001,1120 6.531,1121 31.669,1122 15.055,1123 2.034,1124 6.522,1125 27.216,1126 3.182,1127 16.619,1128 21.524,1129 7.087,1130 34.102,1131 16.162,1132 1.978,1133 5.896,1134 29.103,1135 2.93,1136 17.746,1137 23.019,1138 7.551,1139 36.528,1140 17.252,1141 14103,1142 24354,1143 22.482,1144 35.921,1145 51.536,1146 52.879,1147 52.801,1148 50.672,1149 50.798,1150 69.47,1151 5.923,1152 146.204,1153 48.748,1154 5.534,1155 5.621,1156 6.414,1157 5.293,1158 5.22,1159 7.613,1160 2.912,1161 18.549,1162 5.108,1163 16.785,1164 1.516,1165 1.555,1166 1.553,1167 1.49,1168 1.494,1169 2.043,1170 0.174,1171 4.3,1172 1.434,1173 4.071,1174 4.09,1175 4.321,1176 4.046,1177 7.432,1178 4.005,1179 3.963,1180 3.995,1181 3.914,1182 3.892,1183 7.428,1184 3.889,1185 3.894,1186 3.927,1187 3.841,1188 3.823,1189 5.216,1190 3.82,1191 3.489,1192 3.539,1193 3.449,1194 3.222,1195 4.783,1196 3.269,1197 3.384,1198 3.429,1199 3.432,1200 3.155,1201 4.748,1202 3.185,1203 3.266,1204 3.35,1205 3.288,1206 3.125,1207 4.728,1208 3.101,1209 3.14,1210 3.199,1211 3.067,1212 2.995,1213 4.274,1214 2.965,1215 3.016,1216 3.108,1217 2.904,1218 2.825,1219 4.08,1220 2.819,1221 0.137,1222 0.106,1223 0.202,1224 0.123,1225 0.095,1226 4.659,1227 0.136,1228 3.621,1229 0.049,1230 6.87,1231 0.336,1232 4.184,1233 0.091,1234 3.22,1235 4.613,1236 1.656,1237 11.41,1238 3.108,1239 1.94,1240 1.912,1241 2.058,1242 2.045,1243 1.183,1244 2.046,1245 1.898,1246 1.869,1247 2,1248 2.006,1249 1.084,1250 2.006,1251 1.805,1252 1.778,1253 1.839,1254 1.95,1255 0.949,1256 1.928,1257 1.472,1258 1.467,1259 1.639,1260 1.667,1261 0.719,1262 1.631,1263 1.308,1264 1.259,1265 1.508,1266 1.554,1267 0.619,1268 1.557,1269 1.303,1270 1.226,1271 1.455,1272 1.507,1273 0.526,1274 1.542,1275 1.064,1276 1.008,1277 1.283,1278 1.3,1279 0.306,1280 1.314,1281 0.94,1282 0.889,1283 1.181,1284 1.25,1285 0.218,1286 1.255,1287 4.234,1289 5.565,1290 2.398,1291 7.072,1292 4.727,1293 8.666,1294 6.862,1295 10.306,1297 3.951,1301 5.9,1305 8.417,1314 34.433,1315 87.238,1316 196.484,1317 226.623,1318 243.784,1319 249.784,1320 255.784,1321 56.134,1322 7.785,1323 122.03,1324 150.27,1325 23,1326 12.609,1327 4.644,1328 3.807,1329 49.888,1330 158,1331 120,1332 0.154,1333 216.989,1334 366.53,1335 521.213,1336 29861,1338 21.957,1339 0.708,1340 0.571,1341 22.311,1342 17.709,1343 14.885,1344 0.438,1345 0.304,1346 9.4,1347 13.933,1348 9.025,1349 7.56,1350 15.339,1351 10.322,1352 13.947,1353 0.291,1354 0.165,1355 14.497,1356 7.934,1357 10.951,1358 0.18,1359 0.089,1360 11.624,1361 5.411,1362 9.867,1363 0.12,1364 0.05,1365 10.752,1366 4.136,1367 7.164,1368 0.076,1369 0.025,1370 7.893,1371 2.388,1372 0.251,1373 97.428,1374 0.211,1375 29.809,1376 0.397,1377 164,1378 495.933,1379 202.174,1380 510.081,1381 694.31,1382 474,1383 191,1384 498.208,1385 224.856,1386 524.56,1387 760.88,1388 490,1389 7.2}
{0 CHEMBL1970217,1 1.414,2 11.654,3 3.837,4 14.72,5 103.05,6 7.218,7 0.643,8 3.941,9 4.055,10 3.482,11 3.529,12 5.067,13 3.494,14 4.438,15 4.606,16 3.798,17 3.886,18 5.508,19 3.832,20 4.644,21 4.823,22 3.88,23 4.038,24 5.703,25 3.961,26 4.767,27 4.975,28 3.803,29 4.042,30 5.825,31 3.936,32 4.799,33 5.036,34 3.7,35 3.993,36 5.807,37 3.864,38 4.69,39 4.94,40 3.532,41 3.856,42 5.641,43 3.717,44 4.522,45 4.784,46 3.445,47 3.68,48 5.543,49 3.555,50 4.344,51 4.585,52 3.387,53 3.528,54 5.42,55 3.436,56 0.027,57 0.635,58 9.745,59 4.49,60 8.206,61 5.856,62 0.18,63 1.008,64 17.637,65 7.236,66 21.25,67 9.613,68 0.144,69 1.231,70 21.831,71 9.028,72 26.716,73 12.049,74 0.205,75 1.359,76 25.754,77 10.076,78 40.917,79 13.615,80 0.304,81 1.347,82 27.798,83 10.723,84 50.726,85 14.611,86 0.231,87 1.203,88 25.193,89 9.648,90 38.989,91 13.25,92 0.271,93 1.024,94 21.465,95 8.016,96 39.001,97 11.283,98 0.129,99 0.847,100 17.63,101 6.716,102 30.331,103 9.17,104 18,105 38,106 0.239,107 0.563,108 0.759,109 0.853,110 0.867,111 0.867,112 3.303,113 0.915,114 -4.23,115 -4.17,116 -3.94,119 45.8,120 2,124 1,127 1,142 9,143 5,144 1,145 2,158 1,172 14,175 5,178 1,180 3,183 17,188 6,193 4,196 15,200 6,205 3,208 10,213 6,216 1,218 2,221 11,225 4,230 1,233 10,237 1,238 5,243 2,246 9,250 3,255 1,258 8,263 1,264 2,267 1,272 9,276 1000,277 17.577,278 17.577,279 17.577,280 17.577,281 17.577,282 15.321,283 15.446,284 10.37,285 17.858,286 13.721,287 13.721,288 13.721,289 13.721,290 13.721,291 10.322,292 19.526,293 4.805,294 14.043,295 4.171,296 2.262,297 1.1,298 0.547,299 0.464,300 0.464,301 3.984,304 1,305 1,306 1,307 643,308 3.317,312 287.029,319 1.911,320 17.922,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 55,332 303,333 4.376,334 3.586,335 6.451,336 4.01,337 3.012,338 4.046,339 1.081,340 9.942,341 3.006,342 4.187,343 3.088,344 6.147,345 3.88,346 2.895,347 3.729,348 0.86,349 9.01,350 2.851,351 4.069,352 3.038,353 5.941,354 3.693,355 2.693,356 3.611,357 0.473,358 8.336,359 2.687,360 3.581,361 2.689,362 5.248,363 3.244,364 2.297,365 2.919,367 6.556,368 2.172,369 3.466,370 2.316,371 5.075,372 3.068,373 2.078,374 2.742,376 5.832,377 2.05,378 2.939,379 1.851,380 4.364,381 2.516,382 1.542,383 2.07,385 4.169,386 1.496,387 2.859,388 1.619,389 3.945,390 2.378,391 1.414,392 2.003,394 3.178,395 1.361,396 2.733,397 1.494,398 3.724,399 2.28,400 1.292,401 1.818,403 2.927,404 1.269,405 2.55,406 1.151,407 3.576,408 2.061,409 1.085,410 1.561,412 2.639,413 1.056,414 2.5,415 1.109,416 3.457,417 2,418 1,419 1.5,421 2.275,422 1,423 2.299,424 1,425 3.414,426 1.895,427 0.887,428 1.191,430 2.22,431 0.888,432 1.583,433 0.935,434 2.713,435 1.292,436 0.427,437 0.48,439 0.621,440 0.366,441 1.221,442 0.297,443 2.637,444 0.884,445 -0.098,446 -0.121,448 -0.219,449 -0.095,450 0.854,451 0.092,452 2.404,453 0.524,454 -0.463,455 -0.546,457 -1.129,458 -0.453,459 0.821,460 -0.373,461 2,462 0.403,463 -0.617,464 -0.854,466 -1.382,467 -0.618,468 12.467,469 0.479,470 0.592,471 0.023,472 35.75,473 1.375,474 20,475 0.769,476 15.75,477 0.606,478 19.047,479 0.733,480 27.133,481 0.565,482 26.215,483 1.008,484 7.319,485 0.282,486 5.261,487 0.202,488 0.147,490 0.321,496 0.754,497 1.161,498 0.815,499 1.038,500 0.64,501 0.948,502 0.978,503 0.949,504 0.864,505 0.871,506 0.667,507 0.856,508 1.002,509 1.134,510 1.019,511 1.086,512 0.917,513 1.057,514 1.124,515 1.146,516 1.142,517 1.15,518 1.303,519 1.144,520 1.099,521 1.003,522 1.062,523 1.027,524 1.393,525 1.044,526 1.092,527 0.995,528 1.034,529 1.005,530 1.104,531 1.015,532 0.755,533 0.891,534 0.85,535 0.895,536 0.978,537 0.879,538 1.073,539 1.014,540 0.809,541 0.954,542 1.353,543 0.869,544 5,545 0.116,546 3.333,547 1.75,548 1.267,549 0.924,550 0.486,551 0.321,552 0.185,553 0.174,554 8382,555 21258,556 2.037,557 45.8,558 3,559 13,561 2,562 1,564 3,567 1.686,568 1.902,569 3.504,570 -0.408,572 1,577 67.863,578 1.414,579 3.323,580 4.485,581 5.038,582 5.121,583 5.121,584 2.936,585 4.393,586 4.673,587 3.673,588 1193.86,589 8.071,590 15367.7,592 1,594 1,595 268.078,596 1.42,597 4.628,598 0.179,599 0.007,600 0.088,601 0.044,602 0.036,603 0.03,604 0.019,605 0.013,606 0.008,607 0.009,608 0.432,609 0.33,610 1,611 0.777,612 129.158,613 -0.012,614 -0.066,615 0.043,616 -0.022,617 -0.059,618 0.012,619 0.008,620 0.107,621 0.065,622 0.119,623 0.045,624 0.101,625 -0.082,626 -0.1,627 -0.091,628 -0.096,629 -0.031,630 -0.094,631 -0.111,632 -0.136,633 -0.18,634 -0.177,635 -0.1,636 -0.183,637 -0.03,638 -0.05,639 -0.069,640 -0.047,641 -0.089,642 -0.063,643 -0.077,644 -0.052,645 -0.035,646 -0.026,647 -0.054,648 -0.027,649 0.194,650 0.066,651 0.156,652 0.076,653 0.163,654 0.111,655 0.044,656 -0.069,657 0.201,658 0.024,659 0.12,660 0.115,661 1.765,662 5.545,663 0.692,664 25.112,665 0.994,666 1.116,667 3.001,668 9.006,669 0.678,670 3.367,671 3.664,672 3.912,673 4.094,674 4.277,675 4.234,676 4.331,677 4.331,678 4.331,679 4.369,680 6.857,681 0.64,682 346.46,683 3.367,684 4.89,685 5.727,686 6.583,687 7.433,688 8.292,689 9.146,690 10.005,691 10.861,692 11.721,693 4.2,700 1,703 1,709 11,710 1,714 6,716 18,723 1,733 1,735 48,737 19,738 2,739 28,741 50,742 22,743 17,744 4,745 8,746 1,748 3,749 3,754 2,760 1,762 18,763 4,767 1,772 1,776 1,780 1,783 22,784 4,785 1,786 4,792 2,797 1,798 2,809 1,816 3,843 3,847 3,851 26,860 1,861 1,863 1,874 4.2,877 1,879 1,881 13.667,882 9.533,883 5.861,884 2.772,886 3.14,887 1.447,888 0.967,889 5.573,890 10.16,891 3.664,892 4.241,893 4.806,894 5.325,895 5.84,896 5.945,897 6.321,898 6.538,899 6.784,900 7.064,901 0.875,902 40,903 9.577,905 3.94,906 7.692,907 18.31,909 14.547,911 2.192,912 57,915 1,916 247.193,917 157.79,918 34.796,920 36.145,923 157.79,924 283.338,925 34.796,926 28.533,927 18.011,928 85.286,929 70.177,930 50.266,932 223.651,934 247.193,935 192.587,936 36.145,939 211.88,940 71.458,943 53.756,944 122.045,945 16.786,947 247.193,948 70.941,949 157.79,952 247.193,953 25.876,954 131.915,955 18.011,956 52.93,957 247.193,958 70.941,959 157.79,961 0.576,962 0.344,963 0.177,964 0.093,965 17,966 8,967 0.1,968 5,970 1,971 3.823,972 207.697,974 18,975 118.211,981 18,982 8.049,983 4.251,985 70.941,986 20.94,987 4.117,991 5.716,993 18.011,994 475.925,995 38,1000 12.545,1004 -0.099,1007 47.694,1008 53.567,1009 0.253,1010 0.595,1011 0.803,1012 0.902,1013 0.917,1014 0.917,1015 4.871,1016 1.292,1017 5.7,1018 3.178,1019 4.344,1020 4.927,1021 1.661,1022 6.479,1023 4.308,1024 6.07,1025 1.085,1026 7.246,1027 2.927,1028 3.892,1029 4.605,1031 7.334,1032 3.865,1033 7.362,1034 1,1035 8.892,1036 2.639,1037 5.911,1038 7.081,1039 1.594,1040 10.393,1041 5.854,1042 8.69,1043 0.887,1044 10.596,1045 2.275,1046 6.275,1047 7.552,1049 12.057,1050 6.229,1051 10.047,1052 0.427,1053 12.336,1054 2.22,1055 7.752,1056 9.495,1057 1.614,1058 14.618,1059 7.685,1060 11.425,1061 -0.098,1062 14.101,1063 0.621,1064 8.489,1065 10.353,1067 16.611,1068 8.43,1069 12.819,1070 -0.463,1071 15.883,1072 -0.219,1073 9.738,1074 12.042,1075 1.674,1076 18.991,1077 9.665,1078 3.012,1079 -0.617,1080 17.677,1081 -1.129,1082 10.652,1083 13.112,1085 21.131,1086 10.583,1087 2.895,1088 9.942,1089 19.48,1090 -1.382,1091 11.802,1092 14.663,1093 1.758,1094 23.442,1095 11.723,1096 2.693,1097 9.01,1098 21.291,1099 4.046,1100 12.8,1101 15.856,1103 25.65,1104 12.723,1105 2.297,1106 8.336,1107 23.107,1108 3.729,1109 13.908,1110 17.33,1111 1.859,1112 27.934,1113 13.824,1114 2.078,1115 6.556,1116 24.928,1117 3.611,1118 14.948,1119 18.596,1121 30.176,1122 14.863,1123 1.542,1124 5.832,1125 26.752,1126 2.919,1127 16.039,1128 20.028,1129 1.973,1130 32.453,1131 15.948,1132 1.414,1133 4.169,1134 28.58,1135 2.742,1136 17.1,1137 21.338,1139 34.712,1140 17.007,1141 8151,1142 13082,1143 18.493,1144 32.534,1145 41.711,1146 42.515,1147 42.969,1148 41.15,1149 41.246,1150 55.34,1151 4.827,1152 115.407,1153 40.408,1154 5.251,1155 5.586,1156 6.136,1157 5.046,1158 5.012,1159 7.046,1160 2.162,1161 16.603,1162 5.006,1163 13.077,1164 1.49,1165 1.518,1166 1.535,1167 1.47,1168 1.473,1169 1.976,1170 0.172,1171 4.122,1172 1.443,1173 4.025,1174 4.052,1175 3.975,1176 3.962,1177 7.429,1178 3.962,1179 3.928,1180 3.954,1181 3.868,1182 3.858,1183 4.92,1184 3.856,1185 3.768,1186 3.802,1187 3.71,1188 3.669,1189 4.862,1190 3.673,1191 3.495,1192 3.556,1193 3.386,1194 3.311,1195 4.646,1196 3.317,1197 3.236,1198 3.301,1199 3.098,1200 3,1201 4.405,1202 3.007,1203 3.152,1204 3.242,1205 2.988,1206 2.974,1207 4.113,1208 2.966,1209 3.143,1210 3.19,1211 2.948,1212 2.94,1213 3.942,1214 2.943,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.761,1220 2.715,1221 0.156,1222 0.128,1223 0.23,1224 0.143,1225 0.108,1226 4.376,1227 0.144,1228 3.586,1229 0.039,1230 6.451,1231 0.355,1232 4.01,1233 0.107,1234 3.012,1235 4.046,1236 1.081,1237 9.942,1238 3.006,1239 1.988,1240 1.967,1241 2.079,1242 2.07,1243 1.212,1244 2.074,1245 1.915,1246 1.891,1247 2.032,1248 2.014,1249 1.182,1250 2.02,1251 1.745,1252 1.712,1253 1.873,1254 1.87,1255 0.945,1256 1.871,1257 1.462,1258 1.4,1259 1.721,1260 1.682,1261 0.828,1262 1.694,1263 1.186,1264 1.113,1265 1.563,1266 1.49,1267 0.57,1268 1.515,1269 1.179,1270 1.097,1271 1.514,1272 1.404,1273 0.549,1274 1.449,1275 1.077,1276 1.04,1277 1.26,1278 1.331,1279 0.281,1280 1.315,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.043,1289 5.342,1291 6.845,1293 8.431,1295 10.056,1297 5.62,1305 3.03,1306 5.242,1308 -0.111,1314 30.74,1315 67.863,1316 159.521,1317 215.284,1318 241.814,1319 245.814,1320 245.814,1321 42.58,1322 7.02,1323 51.22,1324 51.22,1325 18,1326 12.272,1327 4.322,1328 3.459,1329 44.605,1330 108,1331 98,1332 0.202,1333 191.929,1334 332.56,1335 460.066,1336 10436,1338 18.518,1339 0.712,1340 0.584,1341 18.518,1342 15.192,1343 12.58,1344 0.449,1345 0.305,1346 8.45,1347 12.215,1348 8.114,1349 6.832,1350 12.58,1351 8.541,1352 10.992,1353 0.289,1354 0.164,1355 10.992,1356 6.24,1357 9.354,1358 0.191,1359 0.09,1360 9.354,1361 4.42,1362 7.379,1363 0.125,1364 0.049,1365 7.379,1366 2.873,1367 5.728,1368 0.081,1369 0.026,1370 5.728,1371 1.856,1372 0.323,1373 78.079,1374 0.233,1375 25.485,1376 0.535,1377 132,1378 365.449,1379 140.534,1380 357.957,1381 490.22,1382 336,1383 153,1384 356.266,1385 161.148,1386 367.945,1387 528.89,1388 344,1389 5.1}
{0 CHEMBL1970314,1 1.503,2 7.15,3 1.79,4 3.205,5 78.397,6 7.979,7 0.773,8 3.606,9 3.725,10 3.225,11 3.232,12 4.853,13 3.216,14 4.034,15 4.164,16 3.577,17 3.611,18 5.298,19 3.574,20 4.284,21 4.447,22 3.639,23 3.737,24 5.469,25 3.68,26 4.333,27 4.534,28 3.573,29 3.687,30 5.516,31 3.614,32 4.273,33 4.472,34 3.511,35 3.615,36 5.47,37 3.545,38 4.23,39 4.437,40 3.319,41 3.474,42 5.465,43 3.39,44 4.127,45 4.383,46 3.073,47 3.24,48 5.27,49 3.141,50 3.814,51 4.071,52 2.731,53 2.867,54 5.138,55 2.749,56 0.04,57 0.476,58 5.731,59 2.609,60 10.956,61 3.194,62 0.072,63 0.708,64 9.216,65 4.478,66 19.672,67 5.713,68 0.087,69 0.893,70 13.113,71 5.779,72 24.783,73 7.311,74 0.184,75 0.93,76 15.185,77 6.165,78 34.577,79 8.126,80 0.071,81 0.861,82 14.157,83 5.948,84 21.295,85 7.832,86 0.137,87 0.818,88 14.105,89 5.421,90 36.229,91 6.897,92 0.164,93 0.728,94 14.371,95 4.982,96 38.083,97 6.656,98 0.185,99 0.549,100 10.289,101 3.556,102 38.315,103 4.881,104 11,105 31,106 0.275,107 0.549,108 0.733,109 0.899,110 0.899,111 0.899,112 3.059,113 0.845,114 -3.31,115 -3.3,116 -3.16,119 48.5,142 8,143 4,144 1,145 1,146 1,158 1,163 2,164 2,165 2,172 11,175 4,177 1,178 1,180 3,183 14,185 3,188 4,193 3,196 14,198 3,199 1,200 3,202 1,203 1,205 4,208 11,210 4,213 4,218 5,221 8,223 5,225 5,230 5,233 5,235 5,238 2,243 2,246 2,248 2,250 2,252 2,253 2,254 1,255 2,257 2,258 1,260 2,262 1,276 434,277 13.43,278 13.43,279 13.43,280 13.43,281 13.43,282 11.314,283 5.987,284 7.929,285 13.489,286 10.877,287 10.877,288 10.877,289 10.877,290 10.877,291 7.7,292 4.851,293 3.768,294 10.976,295 3.541,296 2.039,297 1.03,298 0.121,299 0.121,300 0.121,301 3.738,304 1,305 1,306 1,307 306,308 2.449,312 144.768,316 77.448,319 1.065,320 18.215,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 42.5,332 143,333 4.6,334 3.549,335 6.685,336 4.159,337 3.165,338 4.524,339 0.98,340 10.804,341 3.145,342 4.154,343 2.983,344 6.114,345 3.761,346 2.767,347 3.784,349 8.958,350 2.75,351 3.765,352 2.726,353 5.579,354 3.356,355 2.346,356 3.19,358 7.089,359 2.361,360 3.599,361 2.285,362 5.05,363 3.191,364 2.21,365 3.014,367 6.077,368 2.165,369 3.016,370 1.842,371 4.42,372 2.505,373 1.536,374 2.251,376 4.148,377 1.488,378 2.951,379 1.552,380 4.175,381 2.443,382 1.434,383 2.086,385 3.578,386 1.436,387 2.805,388 1.341,389 3.619,390 2.311,391 1.325,392 1.945,394 2.953,395 1.305,396 2.589,397 1.117,398 3.479,399 2.092,400 1.092,401 1.627,403 2.525,404 1.091,405 2.227,406 0.869,407 3.365,408 1.7,409 0.715,410 1.056,412 1.776,413 0.7,414 1.166,415 0.14,416 2.686,417 0.704,418 -0.284,419 -0.395,421 -0.731,422 -0.28,423 0.946,424 -0.239,425 2.564,426 0.548,427 -0.418,428 -0.528,430 -0.974,431 -0.401,432 0.902,433 -0.306,434 2,435 0.424,436 -0.565,437 -0.811,439 -1.562,440 -0.557,441 0.639,442 -0.555,443 2,444 0.173,445 -0.82,446 -1.143,448 -2,449 -0.81,450 0.525,451 -0.808,452 2,453 0.053,454 -1,455 -1.328,457 -2.202,458 -0.976,459 0.388,460 -0.982,461 1.657,462 -0.022,463 -1,464 -1.524,466 -2.618,467 -1.046,468 9.533,469 0.477,470 0.524,471 0.026,472 30.25,473 1.513,474 18,475 0.9,476 12.25,477 0.613,478 11.294,479 0.565,480 19.867,481 0.602,482 20.848,483 1.042,484 6.164,485 0.308,486 3.484,487 0.174,488 0.119,490 0.367,496 0.864,497 0.859,498 0.771,499 0.732,500 0.859,501 0.721,502 0.52,503 1.007,504 0.752,505 0.95,506 0.462,507 0.897,508 0.95,509 1.103,510 0.984,511 1.064,512 0.934,513 1.039,514 0.804,515 0.927,516 0.953,517 0.986,518 0.844,519 0.99,520 0.846,521 1.127,522 0.921,523 1.13,524 0.812,525 1.053,526 1.351,527 1.178,528 1.199,529 1.183,530 1.417,531 1.178,532 1.326,533 1.027,534 1.045,535 0.954,536 1.344,537 0.961,538 0.917,539 1.053,540 1.129,541 1.15,542 0.915,543 1.17,544 4,546 2.222,547 1.25,548 1.409,549 0.799,550 0.346,551 0.271,552 0.094,553 0.016,554 3410,555 9785,556 2.077,557 39.4,559 8,561 1,562 4,567 1.624,568 1.935,569 2.87,570 1.879,572 1,574 1,577 49.604,578 1.503,579 3.005,580 4.014,581 4.923,582 4.923,583 4.923,584 2.253,585 3.684,586 4.296,587 2.978,588 565.864,589 7.371,590 5653.42,591 1,592 1,594 1,595 166.465,596 1.441,597 4.248,598 0.182,600 0.072,601 0.039,602 0.049,603 0.03,604 0.016,605 0.017,606 0.009,607 0.008,608 0.421,609 0.5,610 1,611 0.843,612 86.436,613 -0.159,614 0.225,615 -0.013,616 0.183,617 -0.204,618 0.128,619 0.13,620 -0.005,621 0.037,622 0.006,623 0.148,624 0.007,625 -0.108,626 -0.123,627 -0.118,628 -0.104,629 -0.102,630 -0.113,631 0.089,632 0.047,633 -0.011,634 -0.017,635 0.015,636 -0.026,637 0.013,638 -0.185,639 0.021,640 -0.148,641 0.07,642 -0.075,643 -0.175,644 -0.221,645 -0.214,646 -0.223,647 -0.158,648 -0.225,649 -0.125,650 -0.086,651 0.041,652 0.028,653 -0.121,654 0.051,655 0.286,656 -0.073,657 -0.042,658 -0.198,659 0.274,660 -0.181,661 2.153,662 4.623,663 0.8,664 12.67,665 1.002,666 1.115,667 2.085,668 4.345,669 0.705,670 3.135,671 3.466,672 3.738,673 4.025,674 4.304,675 4.331,676 4.466,677 4.511,678 4.522,679 4.382,680 4.539,681 0.679,682 263.32,683 3.135,684 4.673,685 5.525,686 6.412,687 7.288,688 8.18,689 9.065,690 9.959,691 10.849,692 11.743,693 9.1,697 1,700 1,703 1,708 2,709 9,710 1,714 4,716 17,722 1,727 1,735 33,737 18,738 2,739 22,741 35,742 16,743 15,744 6,745 6,746 1,748 3,749 4,762 16,767 1,772 1,776 1,779 1,780 1,783 13,784 4,785 4,786 4,792 3,797 0.667,798 1,809 1,816 3,820 1,843 2,851 20,852 2,874 3,877 1,881 10.333,882 5.783,883 4.361,884 1.769,886 3.457,887 1.513,888 1.042,889 3.03,890 10.196,891 3.481,892 4.143,893 4.79,894 5.445,895 6.09,896 6.419,897 6.916,898 7.334,899 7.732,900 7.9,901 0.8,902 32,903 7.332,905 3.144,906 7.883,907 13.741,909 11.252,911 2.383,912 47.667,916 105.94,917 106.593,918 82.58,920 25.145,923 106.593,924 131.085,925 82.58,927 32.897,928 108.707,929 58.406,930 26.078,932 94.169,934 105.94,935 189.173,936 25.145,939 105.94,940 25.145,943 44.089,944 128.298,945 16.786,947 105.94,948 107.725,949 106.593,952 105.94,953 21.735,954 84.857,956 107.725,957 105.94,958 107.725,959 106.593,961 0.583,962 0.338,963 0.19,964 0.113,965 16,966 7,967 0.057,968 2,969 1,970 1.125,971 3.159,972 155.417,973 0.125,974 16,975 86.439,981 12.486,982 4.854,983 2.335,984 1.494,985 107.725,986 16.621,987 4.229,991 2.93,993 65.794,994 320.257,995 31.5,1000 11.623,1004 -0.487,1007 33.051,1008 36.78,1009 0.298,1010 0.596,1011 0.796,1012 0.976,1013 0.976,1014 0.976,1015 4.694,1016 1.092,1017 5.517,1018 2.953,1019 4.143,1020 4.828,1021 1.072,1022 6.34,1023 4.127,1024 5.931,1025 0.715,1026 7.083,1027 2.525,1028 3.761,1029 4.677,1031 7.265,1032 3.744,1033 7.251,1034 -0.284,1035 8.75,1036 1.776,1037 5.74,1038 7.118,1039 1.045,1040 10.381,1041 5.711,1042 8.609,1043 -0.418,1044 10.477,1045 -0.731,1046 6.155,1047 7.785,1049 12.134,1050 6.126,1051 9.997,1052 -0.565,1053 12.242,1054 -0.974,1055 7.631,1056 9.704,1057 1.019,1058 14.767,1059 7.592,1060 11.409,1061 -0.82,1062 14.035,1063 -1.562,1064 8.423,1065 10.783,1067 16.868,1068 8.381,1069 12.839,1070 -1,1071 15.846,1072 -2,1073 9.69,1074 12.467,1075 0.993,1076 19.328,1077 9.639,1078 3.165,1079 -1,1080 17.671,1081 -2.202,1082 10.663,1083 13.758,1085 21.58,1086 10.608,1087 2.767,1088 10.804,1089 19.508,1090 -2.618,1091 11.845,1092 15.335,1093 0.967,1094 23.979,1095 11.782,1096 2.346,1097 8.958,1098 21.354,1099 4.524,1100 12.905,1101 16.734,1103 26.296,1104 12.836,1105 2.21,1106 7.089,1107 23.206,1108 3.784,1109 14.055,1110 18.265,1111 0.942,1112 28.675,1113 13.979,1114 1.536,1115 6.077,1116 25.065,1117 3.19,1118 15.156,1119 19.717,1121 31.022,1122 15.074,1123 1.434,1124 4.148,1125 26.928,1126 3.014,1127 16.296,1128 21.231,1129 0.917,1130 33.396,1131 16.207,1132 1.325,1133 3.578,1134 28.796,1135 2.251,1136 17.419,1137 22.71,1139 35.757,1140 17.322,1141 3367,1142 5783,1143 14.622,1144 23.279,1145 33.636,1146 33.909,1147 34.25,1148 33.199,1149 33.182,1150 46.951,1151 1.96,1152 95.817,1153 32.88,1154 5.255,1155 5.549,1156 6.367,1157 5.197,1158 5.165,1159 7.524,1160 1.96,1161 17.891,1162 5.145,1163 9.205,1164 1.529,1165 1.541,1166 1.557,1167 1.509,1168 1.508,1169 2.134,1170 0.089,1171 4.355,1172 1.495,1173 4.107,1174 4.129,1175 4.074,1176 4.051,1177 7.437,1178 4.054,1179 3.862,1180 3.896,1181 3.804,1182 3.792,1183 5.118,1184 3.791,1185 3.507,1186 3.546,1187 3.44,1188 3.379,1189 4.986,1190 3.383,1191 3.299,1192 3.351,1193 3.223,1194 3.106,1195 4.856,1196 3.132,1197 3.024,1198 3.127,1199 2.87,1200 2.813,1201 4.538,1202 2.815,1203 2.849,1204 2.932,1205 2.739,1206 2.722,1207 4.23,1208 2.709,1209 2.812,1210 2.868,1211 2.694,1212 2.591,1213 3.909,1214 2.624,1215 2.515,1216 2.595,1217 2.368,1218 2.37,1219 3.594,1220 2.362,1221 0.209,1222 0.161,1223 0.304,1224 0.189,1225 0.144,1226 4.6,1227 0.206,1228 3.549,1229 0.045,1230 6.685,1231 0.491,1232 4.159,1233 0.143,1234 3.165,1235 4.524,1236 0.98,1237 10.804,1238 3.145,1239 2.072,1240 2.054,1241 2.136,1242 2.143,1243 1.275,1244 2.142,1245 1.854,1246 1.825,1247 1.961,1248 1.951,1249 1.031,1250 1.957,1251 1.467,1252 1.432,1253 1.615,1254 1.649,1255 0.652,1256 1.632,1257 1.213,1258 1.174,1259 1.384,1260 1.461,1261 0.301,1262 1.451,1263 0.984,1264 0.901,1265 1.273,1266 1.284,1267 0.19,1268 1.293,1269 0.834,1270 0.784,1271 1.079,1272 1.056,1273 0.156,1274 1.067,1275 0.782,1276 0.698,1277 1.065,1278 0.98,1280 1.016,1281 0.513,1282 0.445,1283 0.846,1284 0.747,1286 0.788,1287 3.807,1289 5.13,1291 6.663,1293 8.294,1295 9.977,1301 11.256,1314 22.413,1315 49.604,1316 99.181,1317 132.465,1318 162.465,1319 162.465,1320 162.465,1321 28.727,1322 6.739,1323 82,1324 82,1325 18,1326 12.27,1327 4.248,1328 3.392,1329 29.717,1330 55,1331 48,1332 0.279,1333 140.1,1334 233.61,1335 333.605,1336 6416,1338 14.113,1339 0.706,1340 0.535,1341 14.113,1342 10.706,1343 9.648,1344 0.439,1345 0.282,1346 6.145,1347 9.433,1348 6.002,1349 4.997,1350 9.648,1351 6.195,1352 8.88,1353 0.286,1354 0.148,1355 8.88,1356 4.589,1357 7.198,1358 0.176,1359 0.078,1360 7.198,1361 3.19,1362 6.163,1363 0.112,1364 0.041,1365 6.163,1366 2.265,1367 5.318,1368 0.073,1369 0.022,1370 5.318,1371 1.602,1372 0.416,1373 59.496,1374 0.262,1375 19.384,1376 0.835,1377 106,1378 290.005,1379 111.989,1380 293.172,1381 402.52,1382 272,1383 125,1384 298.791,1385 130.325,1386 309.307,1387 448.8,1388 291,1389 5.1}
{0 CHEMBL1970317,1 1.734,2 13.909,3 3.919,4 15.357,5 129.706,6 8.818,7 0.73,8 4.084,9 4.197,10 3.827,11 3.698,12 5.312,13 3.68,14 4.548,15 4.687,16 4.205,17 4.094,18 5.795,19 4.057,20 4.753,21 4.919,22 4.232,23 4.199,24 5.939,25 4.138,26 4.815,27 4.997,28 4.309,29 4.214,30 6.018,31 4.132,32 4.822,33 5.016,34 4.194,35 4.146,36 6.01,37 4.062,38 4.684,39 4.87,40 4.054,41 4.024,42 5.989,43 3.955,44 4.647,45 4.861,46 3.855,47 3.964,48 5.74,49 3.87,50 4.601,51 4.821,52 3.786,53 3.892,54 5.69,55 3.789,56 0.114,57 0.89,58 8.018,59 4.269,60 11.078,61 4.664,62 0.293,63 1.394,64 15.651,65 7.349,66 23.164,67 8.262,68 0.361,69 1.661,70 20.342,71 9.087,72 44.985,73 9.886,74 0.346,75 1.741,76 25.681,77 10.673,78 37.379,79 12.454,80 0.522,81 1.702,82 32.526,83 11.152,84 62.263,85 11.805,86 0.491,87 1.466,88 22.201,89 8.814,90 74.463,91 10.156,92 0.383,93 1.401,94 23.755,95 8.75,96 45.25,97 10.434,98 0.257,99 1.301,100 20.768,101 8.836,102 27.272,103 11.259,104 17,105 53,106 0.282,107 0.635,108 0.786,109 0.861,110 0.876,111 0.882,112 3.532,113 0.887,114 -4.79,115 -4.71,116 -4.42,119 46.2,124 1,142 8,143 5,144 3,145 2,147 1,151 2,152 1,159 1,163 1,164 1,165 1,166 1,172 9,175 4,177 1,178 3,179 1,180 5,183 14,185 1,188 4,193 4,196 11,198 1,200 6,205 9,208 6,210 3,212 2,213 9,218 7,221 5,223 3,225 6,230 5,233 8,235 2,238 3,240 2,241 2,243 2,246 8,250 5,253 1,254 1,255 2,257 1,258 6,264 5,269 2,272 5,276 1957,277 22.325,278 22.325,279 22.325,280 22.325,281 22.325,282 18.956,283 19.675,284 13.003,285 22.806,286 18.286,287 18.286,288 18.286,289 18.286,290 18.286,291 13.238,292 25.279,293 6.212,294 19.089,295 3.967,296 1.803,297 0.875,298 0.414,299 0.322,300 0.284,301 4.238,305 1,306 1,307 1015,308 3.24,311 160.079,312 319.427,315 142.688,319 2.226,320 31.709,323 1,324 0.83,325 1,326 0.4,328 1,329 1,330 0.75,331 71.5,332 459,333 4.748,334 3.563,335 7.013,336 4.283,337 3.316,338 4.726,339 1.656,340 11.979,341 3.206,342 4.242,343 3.327,344 6.35,345 3.856,346 2.87,347 3.88,348 0.247,349 9.649,350 2.83,351 4.087,352 2.947,353 5.775,354 3.697,355 2.733,356 3.669,358 7.895,359 2.625,360 4.008,361 2.88,362 5.615,363 3.567,364 2.598,365 3.623,367 7.691,368 2.513,369 3.755,370 2.63,371 5.393,372 3.363,373 2.4,374 3.153,376 7.076,377 2.302,378 3.566,379 2.379,380 5.244,381 3.136,382 2.182,383 2.927,385 6.329,386 2.078,387 3.465,388 2.293,389 4.903,390 3.036,391 2.089,392 2.772,394 5.71,395 1.974,396 3.251,397 2.239,398 4.818,399 2.768,400 1.848,401 2.535,403 5.151,404 1.691,405 3.132,406 1.878,407 4.534,408 2.67,409 1.704,410 2.322,412 4.651,413 1.611,414 2.798,415 1.413,416 4.388,417 2.327,418 1.357,419 1.92,421 3.927,422 1.311,423 2.658,424 1.275,425 3.979,426 2.172,427 1.182,428 1.729,430 2.893,431 1.166,432 2.553,433 1.094,434 3.584,435 2.011,436 1.066,437 1.577,439 2.586,440 1,441 2.5,442 1,443 3.479,444 2,445 1,446 1.5,448 2.275,449 0.998,450 2.261,451 0.849,452 3.414,453 1.673,454 0.806,455 1.155,457 2.058,458 0.686,459 2.151,460 0.697,461 3.268,462 1.577,463 0.675,464 0.988,466 1.653,467 0.6,468 15.852,469 0.48,470 0.87,471 0.026,472 48.5,473 1.47,474 27,475 0.818,476 21.5,477 0.652,478 24.265,479 0.735,480 33.348,481 0.641,482 38.08,483 1.154,484 9.634,485 0.292,486 6.341,487 0.192,488 0.096,490 0.372,494 1,496 0.71,497 0.953,498 0.685,499 0.786,500 0.631,501 0.752,502 0.637,503 0.913,504 0.813,505 0.862,506 0.515,507 0.82,508 1.123,509 0.988,510 0.984,511 0.905,512 1.048,513 0.984,514 0.736,515 1.084,516 0.963,517 1.148,518 0.729,519 1.055,520 1.151,521 0.967,522 1.415,523 1.217,524 1.168,525 1.027,526 0.795,527 0.988,528 1.024,529 1.06,530 0.789,531 1.073,532 0.808,533 0.858,534 1.152,535 1.064,536 0.768,537 1.094,538 0.585,539 0.982,540 0.872,541 1.095,542 0.541,543 1.158,544 7,545 0.137,546 3.556,547 2.5,548 1.864,549 1.279,550 0.737,551 0.492,552 0.276,553 0.288,554 17373,555 53129,556 2.131,557 36.5,559 11,560 2,561 2,562 4,567 1.748,568 2,569 3.736,570 1.573,577 90.163,578 1.734,579 3.897,580 4.825,581 5.287,582 5.378,583 5.417,584 3.268,585 4.923,586 5.013,587 3.936,588 2078.24,589 8.757,590 31831.2,595 296.423,596 1.393,597 4.979,598 0.189,599 0.005,600 0.067,601 0.048,602 0.036,603 0.027,604 0.017,605 0.014,606 0.008,607 0.01,608 0.422,610 0.88,611 0.522,612 177.318,613 -0.06,614 0.041,615 0.035,616 0.091,617 -0.101,618 0.071,619 0.088,620 0.074,621 0.029,622 0.077,623 0.089,624 0.057,625 -0.207,626 0.022,627 -0.115,628 0.034,629 -0.157,630 -0.072,631 0.056,632 -0.155,633 0.089,634 -0.096,635 0.053,636 -0.063,637 -0.14,638 -0.016,639 -0.162,640 -0.074,641 -0.113,642 -0.029,643 0.097,644 -0.089,645 -0.082,646 -0.101,647 0.147,648 -0.117,649 -0.072,650 0.037,651 -0.176,652 -0.088,653 -0.094,654 -0.092,655 0.089,656 -0.148,657 0.015,658 -0.153,659 0.082,660 -0.113,661 2.121,662 5.297,663 0.788,664 39.743,665 1.014,666 1.122,667 3.565,668 12.708,669 0.719,670 3.638,671 3.989,672 4.277,673 4.595,674 4.796,675 4.92,676 5.069,677 5.257,678 5.342,679 5.421,680 8.116,681 0.694,682 458.56,683 3.638,684 5.198,685 6.061,686 6.957,687 7.838,688 8.74,689 9.63,690 10.536,691 11.433,692 12.342,693 11.5,697 1,700 2,701 1,703 2,708 2,709 12,710 2,713 1,714 8,715 1,716 27,727 1,734 1,735 52,737 28,738 2,739 37,741 56,742 24,743 22,744 4,745 8,748 5,749 6,753 1,762 23,763 1,767 1,772 1,776 1,781 1,783 19,784 7,785 4,786 9,787 1,792 6,797 0.8,798 1,807 1,809 1,815 2,816 3,819 1,843 4,845 1,847 1,849 1,851 33,852 1,860 2,869 1,873 1,874 1.9,877 1,881 16.5,882 9.66,883 7.083,884 2.817,886 4.998,887 1.597,888 1.054,889 5.729,890 13.372,891 3.961,892 4.63,893 5.263,894 5.931,895 6.454,896 6.854,897 7.341,898 7.856,899 8.224,900 8.613,901 1,902 52,903 12.151,905 5.278,906 7.869,907 22.81,909 18.852,911 2.369,912 78.167,915 1,916 176.567,917 187.575,918 104.144,920 25.145,921 14.96,922 31.278,923 156.297,924 201.711,925 119.104,926 8.396,927 36.022,928 125.404,929 82.136,930 49.821,931 45.852,932 160.76,934 176.567,935 260.441,936 40.105,937 31.278,939 191.527,940 25.145,943 55.893,944 171.099,945 33.449,946 31.278,947 191.527,948 129.289,949 187.575,952 176.567,953 68.577,954 120.774,955 36.022,956 106.451,957 176.567,958 144.249,959 187.575,961 0.588,962 0.341,963 0.192,964 0.102,965 27,966 12,967 0.071,968 4,969 1,970 1.077,971 4.469,972 311.168,973 0.077,974 26,975 162.465,977 1,981 21.407,982 8.831,983 4.413,984 1.938,985 142.472,986 20.739,987 8.665,990 1.603,991 4.917,992 1.752,993 68.919,994 508.39,995 51.5,1000 12.226,1004 -0.455,1007 52.712,1008 58.365,1009 0.304,1010 0.684,1011 0.846,1012 0.927,1013 0.943,1014 0.95,1015 5.197,1016 1.848,1017 6.057,1018 5.71,1019 4.673,1020 5.318,1021 1.758,1022 6.887,1023 4.591,1024 6.433,1025 1.704,1026 7.623,1027 5.151,1028 4.29,1029 5.165,1030 1.195,1031 7.813,1032 4.186,1033 7.755,1034 1.357,1035 9.287,1036 4.651,1037 6.282,1038 7.589,1039 2.415,1040 10.946,1041 6.138,1042 9.113,1043 1.182,1044 11.011,1045 3.927,1046 6.711,1047 8.281,1048 2.324,1049 12.755,1050 6.543,1051 10.502,1052 1.066,1053 12.775,1054 2.893,1055 8.178,1056 10.164,1057 3.244,1058 15.425,1059 7.98,1060 11.915,1061 1,1062 14.57,1063 2.586,1064 8.988,1065 11.276,1066 3.407,1067 17.619,1068 8.762,1069 13.348,1070 0.806,1071 16.388,1072 2.275,1073 10.254,1074 12.94,1075 4.156,1076 20.145,1077 10,1078 3.316,1079 0.675,1080 18.227,1081 2.058,1082 11.251,1083 14.268,1084 4.464,1085 22.503,1086 10.967,1087 2.87,1088 11.979,1089 20.082,1090 1.653,1091 12.444,1092 15.845,1093 5.111,1094 24.988,1095 12.13,1096 2.733,1097 9.649,1098 21.95,1099 4.726,1100 13.532,1101 17.283,1102 5.504,1103 27.414,1104 13.186,1105 2.598,1106 7.895,1107 23.83,1108 3.88,1109 14.703,1110 18.83,1111 6.091,1112 29.889,1113 14.327,1114 2.4,1115 7.691,1116 25.72,1117 3.669,1118 15.837,1119 20.323,1120 6.531,1121 32.344,1122 15.427,1123 2.182,1124 7.076,1125 27.618,1126 3.623,1127 17.007,1128 21.863,1129 7.083,1130 34.82,1131 16.564,1132 2.089,1133 6.329,1134 29.523,1135 3.153,1136 18.165,1137 23.383,1138 7.551,1139 37.288,1140 17.688,1141 16124,1142 28354,1143 24.967,1144 37.404,1145 56.593,1146 56.979,1147 57.758,1148 55.777,1149 55.794,1150 77.122,1151 3.806,1152 163.438,1153 53.32,1154 5.614,1155 5.563,1156 6.569,1157 5.396,1158 5.316,1159 7.726,1160 2.912,1161 19.547,1162 5.206,1163 15.707,1164 1.53,1165 1.54,1166 1.561,1167 1.507,1168 1.508,1169 2.084,1170 0.103,1171 4.417,1172 1.441,1173 4.139,1174 4.156,1175 4.346,1176 4.136,1177 8.201,1178 4.098,1179 3.929,1180 3.97,1181 3.884,1182 3.833,1183 7.431,1184 3.836,1185 3.895,1186 3.936,1187 3.859,1188 3.8,1189 5.191,1190 3.802,1191 3.79,1192 3.834,1193 3.791,1194 3.655,1195 4.948,1196 3.66,1197 3.43,1198 3.475,1199 3.438,1200 3.198,1201 4.774,1202 3.222,1203 3.266,1204 3.311,1205 3.376,1206 3.1,1207 4.662,1208 3.108,1209 3.131,1210 3.224,1211 3.039,1212 2.94,1213 4.564,1214 2.927,1215 2.924,1216 3.018,1217 2.861,1218 2.775,1219 4.243,1220 2.755,1221 0.128,1222 0.096,1223 0.19,1224 0.116,1225 0.09,1226 4.748,1227 0.128,1228 3.563,1229 0.045,1230 7.013,1231 0.324,1232 4.283,1233 0.087,1234 3.316,1235 4.726,1236 1.656,1237 11.979,1238 3.206,1239 1.966,1240 1.947,1241 2.037,1242 2.047,1243 1.19,1244 2.044,1245 1.88,1246 1.853,1247 1.979,1248 1.993,1249 1.062,1250 1.988,1251 1.843,1252 1.824,1253 1.893,1254 1.929,1255 1.043,1256 1.932,1257 1.508,1258 1.458,1259 1.722,1260 1.8,1261 0.777,1262 1.776,1263 1.427,1264 1.368,1265 1.531,1266 1.608,1267 0.667,1268 1.586,1269 1.28,1270 1.237,1271 1.399,1272 1.521,1273 0.481,1274 1.5,1275 1.196,1276 1.168,1277 1.278,1278 1.309,1279 0.308,1280 1.35,1281 0.892,1282 0.839,1283 1.181,1284 1.181,1285 0.218,1286 1.187,1287 4.317,1289 5.659,1290 3.045,1291 7.183,1292 5.352,1293 8.795,1294 7.424,1295 10.457,1297 1.874,1299 13.297,1301 6.253,1305 5.356,1314 36.101,1315 90.163,1316 202.648,1317 250.913,1318 274.913,1319 279.668,1320 281.668,1321 54.26,1322 8.374,1323 97.86,1324 126.1,1325 28,1326 12.861,1327 4.858,1328 3.954,1329 48.15,1330 161,1331 156,1332 0.145,1333 223.055,1334 372.51,1335 536.013,1336 58076,1337 1.9,1338 22.949,1339 0.695,1340 0.556,1341 22.432,1342 18.358,1343 15.974,1344 0.432,1345 0.296,1346 9.998,1347 14.923,1348 9.69,1349 8.039,1350 16.035,1351 10.944,1352 14.874,1353 0.281,1354 0.158,1355 14.765,1356 8.36,1357 12.339,1358 0.174,1359 0.087,1360 12.723,1361 6.19,1362 10.928,1363 0.112,1364 0.049,1365 11.546,1366 4.758,1367 8.474,1368 0.071,1369 0.026,1370 9.212,1371 3.136,1372 0.233,1373 104.541,1374 0.2,1375 31.095,1376 0.381,1377 180,1378 571.62,1379 218.874,1380 559.632,1381 765.12,1382 522,1383 214,1384 556.296,1385 250.887,1386 576.422,1387 839.59,1388 541,1389 7.6}
{0 CHEMBL1970340,1 1.595,2 5.882,3 2.527,4 6.388,5 65.672,6 8.38,7 0.842,8 3.451,9 3.544,10 3.111,11 3.033,12 4.737,13 3.041,14 3.858,15 3.962,16 3.464,17 3.406,18 5.101,19 3.4,20 4.073,21 4.223,22 3.462,23 3.471,24 5.273,25 3.441,26 4.083,27 4.256,28 3.362,29 3.405,30 5.228,31 3.362,32 3.992,33 4.175,34 3.208,35 3.28,36 5.178,37 3.225,38 3.959,39 4.178,40 2.99,41 3.057,42 5.117,43 2.995,44 3.675,45 3.923,46 2.607,47 2.54,48 5.038,49 2.465,50 3.033,51 3.327,52 0.879,53 1.695,54 4.007,55 1.482,56 0.113,57 0.377,58 4.507,59 2.252,60 12.161,61 2.422,62 0.077,63 0.57,64 6.778,65 3.769,66 9.013,67 4.295,68 0.209,69 0.681,70 10.329,71 4.625,72 23.781,73 5.372,74 0.191,75 0.684,76 11.176,77 4.751,78 20.762,79 5.632,80 0.164,81 0.639,82 10.091,83 4.171,84 20.26,85 5.024,86 0.217,87 0.593,88 11.311,89 4.011,90 26.557,91 4.89,92 0.342,93 0.415,94 9.848,95 3.07,96 39.588,97 4.083,98 0.188,99 0.208,100 5.907,101 1.495,102 23.645,103 1.74,104 5,105 27,106 0.306,107 0.605,108 0.73,109 0.87,110 0.899,111 0.899,112 2.911,113 0.819,114 -3.92,115 -3.87,116 -3.67,119 48.1,142 7,143 3,144 1,147 1,152 1,163 1,164 1,165 1,166 1,172 9,175 3,177 1,178 1,180 3,183 12,185 1,188 4,190 1,191 1,193 3,196 10,198 1,200 5,205 5,208 6,210 3,213 4,218 5,221 5,223 3,225 2,230 2,233 2,235 1,238 2,241 2,242 1,243 2,245 1,246 1,248 1,276 293,277 11.569,278 11.569,279 11.569,280 11.569,281 11.569,282 9.654,283 5.319,284 6.781,285 11.669,286 9.382,287 9.382,288 9.382,289 9.382,290 9.382,291 6.578,292 3.663,293 3.2,294 9.551,295 3.16,296 1.604,297 0.95,298 0.222,299 0.074,300 0.074,301 3.586,305 1,306 1,307 217,308 1.732,311 29.891,312 81.571,315 56.259,319 0.858,320 15.259,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 37,332 100,333 4.663,334 3.244,335 6.881,336 4.217,337 3.225,338 4.622,340 11.479,341 3.199,342 4.068,343 2.751,344 5.906,345 3.639,346 2.655,347 3.7,349 8.24,350 2.612,351 3.541,352 2.325,353 5.052,354 3.126,355 2.16,356 2.934,358 5.992,359 2.081,360 3.344,361 1.982,362 4.939,363 2.88,364 1.912,365 2.702,367 5.383,368 1.847,369 2.939,370 1.533,371 4.363,372 2.46,373 1.474,374 2.137,376 3.961,377 1.45,378 2.661,379 1.215,380 3.81,381 2.178,382 1.189,383 1.736,385 2.803,386 1.174,387 2.6,388 1.122,389 3.479,390 2.101,391 1.112,392 1.648,394 2.561,395 1.098,396 2.146,397 0.71,398 3.304,399 1.676,400 0.683,401 0.987,403 1.668,404 0.678,405 1.023,406 -0.057,407 2.549,408 0.612,409 -0.362,410 -0.472,412 -0.833,413 -0.344,414 0.877,415 -0.356,416 2.275,417 0.471,418 -0.474,419 -0.597,421 -1.235,422 -0.45,423 0.782,424 -0.484,425 2,426 0.394,427 -0.574,428 -0.756,430 -1.356,431 -0.554,432 0.553,433 -0.94,434 2,435 0.056,436 -0.942,437 -1.404,439 -2.525,440 -0.939,441 0.179,442 -1.156,443 1.825,444 -0.258,445 -1.215,446 -1.708,448 -3.198,449 -1.159,450 -0.078,451 -1.207,452 1.5,453 -0.441,454 -1.376,455 -1.844,457 -3.407,458 -1.293,459 -0.291,460 -1.682,461 1.378,462 -0.728,463 -1.716,464 -2.33,466 -4.75,467 -1.697,468 7.967,469 0.469,470 0.418,471 0.025,472 25.75,473 1.515,474 15,475 0.882,476 10.75,477 0.632,478 8.836,479 0.52,480 17.233,481 0.638,482 16.165,483 0.951,484 5.28,485 0.311,486 2.974,487 0.175,488 0.092,490 0.377,496 0.856,497 0.769,498 0.729,499 0.717,500 1.075,501 0.695,502 0.659,503 1.033,504 0.694,505 1.049,506 0.552,507 0.92,508 0.926,509 0.991,510 0.944,511 0.997,512 0.934,513 0.984,514 1.011,515 1.137,516 1.005,517 1.075,518 0.821,519 1.053,520 0.955,521 1.199,522 1.116,523 1.181,524 0.951,525 1.176,526 1.231,527 1.121,528 1.173,529 1.124,530 1.254,531 1.125,532 0.911,533 0.924,534 0.994,535 0.974,536 1.017,537 1.001,538 2.215,539 0.493,540 1.84,541 0.644,542 2.423,543 1.047,544 3,546 2,547 1.41,548 0.746,549 0.445,550 0.246,551 0.111,554 2198,555 6781,556 2.127,557 37,559 7,562 3,567 1.576,568 2,569 2.645,570 1.193,574 1,577 43.057,578 1.595,579 3.151,580 3.805,581 4.533,582 4.681,583 4.681,584 1.904,585 3.617,586 4.065,587 2.725,588 370.535,589 6.9,590 3298.05,592 1,594 1,595 128.382,596 1.379,597 4.023,598 0.158,600 0.074,601 0.054,602 0.032,603 0.023,604 0.018,605 0.014,608 0.373,609 0.67,610 1,611 0.604,612 68.232,613 -0.004,614 0.287,615 -0.003,616 0.21,617 -0.223,618 0.129,619 0.039,620 -0.04,621 0.046,622 -0.094,623 0.065,624 -0.041,625 -0.039,626 -0.022,627 -0.074,628 -0.035,629 -0.068,630 -0.059,631 -0.119,632 -0.191,633 -0.08,634 -0.106,635 -0.037,636 -0.094,637 -0.122,638 -0.217,639 -0.193,640 -0.236,641 -0.085,642 -0.228,643 -0.162,644 -0.166,645 -0.115,646 -0.172,647 -0.166,648 -0.136,649 0.452,650 -0.017,651 0.229,652 0.001,653 0.487,654 0.05,655 -0.602,656 0.428,657 -0.491,658 0.329,659 -0.682,660 0.03,661 1.45,662 3.496,663 0.882,664 8.339,665 1.015,666 1.114,667 2.687,668 7.218,669 0.702,670 2.996,671 3.332,672 3.638,673 3.951,674 4.127,675 4.111,676 4.205,677 4.22,678 4.127,679 3.932,680 3.93,681 0.688,682 226.25,683 2.996,684 4.533,685 5.398,686 6.293,687 7.179,688 8.079,689 8.971,690 9.873,691 10.769,692 11.672,693 7.4,697 1,703 1,708 2,709 7,710 1,712 1,714 4,716 16,727 1,732 1,735 27,737 16,738 2,739 19,741 29,742 13,743 13,744 5,745 7,748 3,749 4,762 13,780 1,783 10,784 4,785 3,786 4,791 1,792 2,797 0.667,798 2,815 1,816 2,819 1,843 2,851 17,852 1,857 1,874 7.4,876 1,879 1,881 8.5,882 4.733,883 3.694,884 1.453,886 3.181,887 1.494,888 1.004,889 2.265,890 9.617,891 3.332,892 4.021,893 4.702,894 5.377,895 5.91,896 6.211,897 6.667,898 7.066,899 7.254,900 7.459,901 0.75,902 26,903 6.208,905 2.679,906 7.882,907 11.617,909 9.56,911 2.382,912 40.5,913 0.001,916 82.398,917 82.442,918 52.494,920 52.417,923 82.442,924 134.815,925 52.494,928 99.231,929 62.28,930 18.678,931 7.164,932 82.398,934 82.398,935 134.936,936 52.417,939 82.398,940 52.417,944 115.339,945 19.597,947 82.398,948 104.911,949 82.442,952 82.398,953 16.108,954 66.334,956 104.911,957 82.398,958 104.911,959 82.442,961 0.584,962 0.349,963 0.203,964 0.108,965 15,966 6,967 0.034,968 1,969 1,970 1.133,971 2.915,972 125.306,973 0.133,974 15,975 69.487,981 10.173,982 3.786,983 1.646,984 1.418,985 104.911,986 12.595,987 3.745,989 5.104,991 2.358,993 75.581,994 269.751,995 27,1007 27.393,1008 30.076,1009 0.335,1010 0.663,1011 0.8,1012 0.953,1013 0.984,1014 0.984,1015 4.543,1016 0.683,1017 5.389,1018 2.561,1019 4.007,1020 4.705,1022 6.232,1023 3.974,1024 5.784,1025 -0.362,1026 6.963,1027 1.668,1028 3.611,1029 4.559,1031 7.213,1032 3.546,1033 7.11,1034 -0.474,1035 8.642,1036 -0.833,1037 5.617,1038 7.031,1040 10.363,1041 5.562,1042 8.479,1043 -0.574,1044 10.386,1045 -1.235,1046 6.066,1047 7.764,1049 12.233,1050 5.99,1051 9.883,1052 -0.942,1053 12.172,1054 -1.356,1055 7.548,1056 9.678,1058 14.903,1059 7.478,1060 11.313,1061 -1.215,1062 13.99,1063 -2.525,1064 8.392,1065 10.834,1067 17.124,1068 8.308,1069 12.764,1070 -1.376,1071 15.83,1072 -3.198,1073 9.667,1074 12.515,1076 19.639,1077 9.585,1078 3.225,1079 -1.716,1080 17.688,1081 -3.407,1082 10.691,1083 13.873,1085 21.994,1086 10.598,1087 2.655,1088 11.479,1089 19.56,1090 -4.75,1091 11.889,1092 15.458,1094 24.457,1095 11.794,1096 2.16,1097 8.24,1098 21.443,1099 4.622,1100 12.991,1101 16.909,1103 26.864,1104 12.888,1105 1.912,1106 5.992,1107 23.334,1108 3.7,1109 14.163,1110 18.456,1112 29.311,1113 14.055,1114 1.474,1115 5.383,1116 25.232,1117 2.934,1118 15.3,1119 19.949,1121 31.737,1122 15.185,1123 1.189,1124 3.961,1125 27.136,1126 2.702,1127 16.466,1128 21.483,1130 34.179,1131 16.344,1132 1.112,1133 2.803,1134 29.044,1135 2.137,1136 17.619,1137 22.994,1139 36.614,1140 17.489,1141 2165,1142 3888,1143 12.83,1144 18.966,1145 29.188,1146 28.704,1147 29.995,1148 28.891,1149 28.82,1150 40.934,1152 84.176,1153 28.278,1154 5.306,1155 5.244,1156 6.436,1157 5.217,1158 5.225,1159 7.622,1161 18.727,1162 5.199,1163 6.624,1164 1.536,1165 1.511,1166 1.579,1167 1.521,1168 1.517,1169 2.154,1171 4.43,1172 1.488,1173 4.114,1174 4.127,1175 4.088,1176 4.027,1177 6.471,1178 4.037,1179 3.83,1180 3.851,1181 3.776,1182 3.735,1183 5.361,1184 3.741,1185 3.353,1186 3.414,1187 3.271,1188 3.156,1189 4.828,1190 3.178,1191 3.027,1192 3.057,1193 2.949,1194 2.901,1195 4.646,1196 2.905,1197 2.923,1198 2.967,1199 2.791,1200 2.746,1201 4.364,1202 2.747,1203 2.779,1204 2.881,1205 2.606,1206 2.502,1207 3.728,1208 2.512,1209 2.48,1210 2.572,1211 2.277,1212 2.226,1213 3.44,1214 2.23,1215 2.182,1216 2.27,1217 2.085,1218 1.771,1219 3.286,1220 1.854,1221 0.245,1222 0.171,1223 0.362,1224 0.222,1225 0.17,1226 4.663,1227 0.243,1228 3.244,1230 6.881,1231 0.604,1232 4.217,1233 0.168,1234 3.225,1235 4.622,1237 11.479,1238 3.199,1239 2.003,1240 1.988,1241 2.077,1242 2.065,1243 1.224,1244 2.069,1245 1.76,1246 1.739,1247 1.873,1248 1.86,1249 0.948,1250 1.864,1251 1.281,1252 1.226,1253 1.434,1254 1.621,1255 0.359,1256 1.56,1257 0.973,1258 0.945,1259 1.169,1260 1.214,1261 0.237,1262 1.181,1263 0.883,1264 0.839,1265 1.128,1266 1.142,1267 0.141,1268 1.131,1269 0.83,1270 0.79,1271 1.031,1272 1.04,1273 0.006,1274 1.055,1275 0.472,1276 0.382,1277 0.828,1278 0.792,1280 0.801,1281 0.295,1282 0.162,1283 0.601,1284 0.678,1286 0.701,1287 3.664,1289 4.99,1290 2.398,1291 6.524,1292 4.727,1293 8.153,1294 6.823,1295 9.835,1301 5.785,1302 9.496,1314 18.58,1315 43.057,1316 85.079,1317 102.73,1318 122.382,1319 126.382,1320 126.382,1321 20.71,1322 6.436,1323 72.28,1324 72.28,1325 17,1326 12.193,1327 4.087,1328 3.17,1329 23.537,1330 39,1331 36,1332 0.306,1333 114.38,1334 184.78,1335 270.847,1336 4385,1338 11.828,1339 0.696,1340 0.525,1341 11.828,1342 8.921,1343 8.254,1344 0.434,1345 0.273,1346 5.124,1347 7.957,1348 5.034,1349 4.174,1350 8.254,1351 5.188,1352 7.519,1353 0.278,1354 0.141,1355 7.519,1356 3.797,1357 6.383,1358 0.173,1359 0.072,1360 6.383,1361 2.682,1362 5.663,1363 0.111,1364 0.038,1365 5.663,1366 1.929,1367 4.47,1368 0.073,1369 0.021,1370 4.47,1371 1.252,1372 0.447,1373 51.753,1374 0.279,1375 16.578,1376 0.942,1377 92,1378 278.843,1379 100.45,1380 273.256,1381 378.64,1382 254,1383 110,1384 293.898,1385 118.7,1386 295.139,1387 428.52,1388 278,1389 5.2}
{0 CHEMBL1970369,1 1.694,2 10.24,3 1.19,4 1.415,5 90.581,6 8.081,7 0.536,8 3.881,9 3.998,10 3.513,11 3.383,12 5.072,13 3.396,14 4.407,15 4.563,16 3.885,17 3.802,18 5.565,19 3.793,20 4.672,21 4.868,22 3.89,23 3.9,24 5.796,25 3.856,26 4.746,27 4.965,28 3.828,29 3.818,30 5.939,31 3.776,32 4.556,33 4.784,34 3.674,35 3.648,36 5.685,37 3.619,38 4.405,39 4.59,40 3.641,41 3.489,42 5.812,43 3.494,44 4.232,45 4.427,46 3.469,47 3.338,48 5.521,49 3.343,50 4.043,51 4.212,52 3.292,53 3.269,54 5.319,55 3.238,56 0.158,57 0.673,58 7.628,59 3.474,60 14.708,61 4.285,62 0.29,63 1.065,64 14.593,65 5.928,66 33.125,67 7.748,68 0.451,69 1.229,70 21.827,71 8.007,72 56.175,73 10.625,74 0.814,75 1.197,76 26.439,77 7.845,78 95.518,79 10.506,80 0.497,81 1.003,82 21.761,83 6.499,84 64.875,85 8.843,86 0.653,87 0.852,88 17.955,89 5.183,90 90.233,91 6.621,92 0.486,93 0.748,94 15.008,95 4.289,96 51.439,97 5.393,98 0.371,99 0.636,100 11.376,101 3.994,102 38.379,103 5.06,104 11,105 40,106 0.294,107 0.692,108 0.828,109 0.894,110 0.894,111 0.894,112 3.267,113 0.868,114 -2.2,115 -2.25,116 -2.22,119 40.5,121 2,122 1,125 2,142 4,143 2,145 1,146 1,152 2,158 2,163 1,164 1,165 1,166 1,168 1,172 6,174 1,175 7,177 1,178 1,180 3,183 6,185 1,187 2,188 9,193 3,196 4,198 1,199 3,200 9,202 1,203 1,205 2,208 2,210 1,213 7,221 2,224 2,225 8,227 1,228 2,230 1,233 1,237 2,238 6,240 1,241 2,243 1,246 2,248 1,249 1,252 1,253 1,258 5,263 2,264 1,267 2,269 1,272 6,274 1,276 862,277 16.947,278 16.947,279 16.947,280 16.947,281 16.947,282 15.029,283 10.86,284 9.81,285 17.106,286 13.805,287 13.805,288 13.805,289 13.805,290 13.805,291 10.81,292 11.437,293 4.632,294 14.037,295 3.699,296 1.402,297 0.619,298 0.238,299 0.238,300 0.238,301 3.962,305 1,306 1,307 564,308 3.082,311 126.332,312 148.464,315 103.755,319 1.69,320 30.938,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 55.5,332 256,333 4.48,334 3.728,335 6.454,336 4.068,337 3.082,338 4.393,339 1.886,340 9.978,341 3.039,342 4.307,343 3.621,344 6.273,345 3.935,346 2.954,347 3.936,348 1.2,349 9.474,350 2.893,351 3.994,352 3.008,353 6.011,354 3.739,355 2.743,356 3.315,357 0.293,358 8.612,359 2.73,360 3.831,361 2.701,362 5.892,363 3.544,364 2.547,365 3.036,367 8.071,368 2.529,369 3.352,370 2.439,371 5.182,372 3.005,373 2.042,374 2.595,376 6.122,377 1.959,378 3.034,379 1.988,380 4.441,381 2.539,382 1.535,383 2.301,385 4.311,386 1.537,387 2.897,388 1.763,389 4.284,390 2.516,391 1.526,392 1.972,394 3.927,395 1.506,396 2.619,397 1.534,398 3.856,399 2.248,400 1.266,401 1.631,403 3.049,404 1.238,405 2.459,406 1.282,407 3.487,408 2.02,409 1.044,410 1.421,412 2.388,413 1.015,414 2.21,415 1.22,416 3.435,417 2.004,418 1,419 1.079,421 2.323,422 0.997,423 2.132,424 1.008,425 3.399,426 1.726,427 0.737,428 1.048,430 1.818,431 0.725,432 2.04,433 0.689,434 3.253,435 1.585,436 0.554,437 0.786,439 1.411,440 0.566,441 1.883,442 0.392,443 3.024,444 1.357,445 0.382,446 0.571,448 0.955,449 0.371,450 0.793,451 0.213,452 2.538,453 0.348,454 -0.646,455 -0.694,457 -1.57,458 -0.64,459 0.576,460 -0.253,461 2.273,462 0.333,463 -0.672,464 -0.855,466 -1.773,467 -0.665,468 11.5,469 0.46,470 0.644,471 0.026,472 31.75,473 1.27,474 15,475 0.6,476 16.75,477 0.67,478 19.181,479 0.767,480 26.9,481 0.64,482 23.232,483 0.929,484 6.279,485 0.251,486 5.835,487 0.233,488 0.093,490 0.383,496 0.666,497 1.148,498 0.704,499 0.992,500 0.584,501 0.872,502 0.682,503 1.2,504 0.786,505 1.071,506 0.491,507 0.965,508 0.893,509 1.118,510 0.973,511 1.162,512 0.883,513 1.103,514 1.223,515 0.888,516 1.078,517 0.906,518 1.452,519 0.956,520 1.232,521 0.95,522 0.96,523 0.911,524 1.264,525 0.873,526 1.415,527 1.012,528 1.079,529 0.933,530 1.183,531 0.942,532 1.5,533 0.84,534 1.106,535 0.838,536 1.307,537 0.882,538 1.086,539 1.08,540 1.141,541 1.13,542 1.132,543 1.151,544 5,545 0.081,546 3.333,547 1.507,548 1.206,549 0.868,550 0.47,551 0.231,552 0.224,553 0.162,554 7634,555 22511,556 2.13,557 40.5,558 2,559 8,561 1,562 3,563 1,564 2,567 1.677,568 2,569 3.37,570 1.045,571 1,572 1,574 1,577 71.139,578 1.694,579 3.99,580 4.773,581 5.154,582 5.154,583 5.154,584 2.793,585 4.404,586 4.617,587 3.521,588 1056.4,589 7.969,590 12797.6,591 1,592 1,595 226.477,596 1.388,597 4.579,598 0.179,599 0.005,600 0.083,601 0.04,602 0.035,603 0.029,604 0.017,605 0.01,606 0.011,607 0.009,608 0.418,609 0.5,610 1,611 0.739,612 120.933,613 0.039,614 0.072,615 0.045,616 0.052,617 -0.02,618 0.05,619 0.041,620 -0.074,621 0.037,622 -0.039,623 0.099,624 -0.005,625 -0.031,626 -0.124,627 -0.045,628 -0.144,629 -0.012,630 -0.107,631 -0.052,632 0.032,633 -0.045,634 0.052,635 -0.166,636 0.012,637 -0.169,638 -0.028,639 0.066,640 0.055,641 -0.167,642 0.114,643 -0.013,644 -0.065,645 -0.054,646 0.007,647 0.123,648 -0.031,649 -0.178,650 0.15,651 -0.094,652 0.078,653 -0.089,654 0.015,655 0.017,656 -0.073,657 -0.211,658 -0.131,659 -0.034,660 -0.206,661 2.035,662 5.62,663 0.8,664 21.219,665 1.019,666 1.134,667 0.974,668 0.949,669 0.666,670 3.367,671 3.714,672 4.007,673 4.248,674 4.419,675 4.533,676 4.654,677 4.736,678 4.796,679 4.898,680 6.225,681 0.653,682 339.39,683 3.367,684 4.92,685 5.784,686 6.666,687 7.544,688 8.427,689 9.31,690 10.195,691 11.079,692 11.964,693 11.9,700 2,701 1,703 2,708 2,709 5,710 2,711 1,712 1,714 3,716 15,724 1,735 42,737 17,738 1,739 28,741 45,742 17,743 10,744 3,745 3,746 1,748 4,749 5,757 2,758 1,760 2,762 12,763 5,764 1,767 2,772 2,776 2,779 1,780 1,783 17,784 7,785 3,786 8,791 1,792 5,797 0.75,798 3,807 1,815 2,816 2,819 1,828 1,843 3,851 25,852 1,858 4,863 1,864 1,874 7.1,877 2,879 1,881 12.5,882 7.433,883 5.389,884 2.519,886 3.056,887 1.409,888 1.008,889 4.115,890 10.525,891 3.651,892 4.256,893 4.858,894 5.429,895 5.856,896 6.297,897 6.73,898 7.172,899 7.427,900 7.798,901 0.857,902 38,903 9.256,905 4.091,906 7.94,907 17.374,909 14.661,911 2.44,912 61,916 164.795,917 81.75,918 88.944,920 60.024,923 81.75,924 224.819,925 88.944,927 45.302,928 37.905,929 107.73,930 43.96,931 7.593,932 153.024,934 164.795,935 170.695,936 60.024,939 141.253,940 83.566,943 73.769,944 60.666,945 36.26,947 164.795,948 148.968,949 81.75,952 164.795,953 34.798,954 50.077,955 16.663,956 129.181,957 164.795,958 148.968,959 81.75,961 0.591,962 0.351,963 0.181,964 0.092,965 21,966 9,967 0.067,968 3,969 1,970 1.1,971 3.761,972 210.794,973 0.1,974 20,975 116.096,981 16.001,982 6.429,983 3.085,984 1.868,985 132.305,986 9.025,987 7.882,988 2.883,989 5.343,991 1.552,993 49.56,994 395.514,995 37.5,1000 23.995,1004 -0.614,1007 42.793,1008 47.611,1009 0.314,1010 0.74,1011 0.885,1012 0.956,1013 0.956,1014 0.956,1015 4.896,1016 1.266,1017 5.778,1018 3.927,1019 4.394,1020 4.942,1021 2.263,1022 6.597,1023 4.364,1024 6.104,1025 1.044,1026 7.347,1027 3.049,1028 4.007,1029 4.771,1030 1.668,1031 7.496,1032 3.973,1033 7.415,1034 1,1035 9.013,1036 2.388,1037 6.004,1038 7.147,1039 3.042,1040 10.577,1041 5.943,1042 8.761,1043 0.737,1044 10.736,1045 2.323,1046 6.447,1047 7.854,1048 3.026,1049 12.27,1050 6.382,1051 10.141,1052 0.554,1053 12.492,1054 1.818,1055 7.898,1056 9.676,1057 4.057,1058 14.842,1059 7.809,1060 11.542,1061 0.382,1062 14.271,1063 1.411,1064 8.696,1065 10.777,1066 4.353,1067 16.848,1068 8.6,1069 12.96,1070 -0.646,1071 16.065,1072 0.955,1073 9.934,1074 12.383,1075 5.198,1076 19.238,1077 9.818,1078 3.082,1079 -0.672,1080 17.869,1081 -1.57,1082 10.892,1083 13.671,1084 5.658,1085 21.382,1086 10.765,1087 2.954,1088 9.978,1089 19.68,1090 -1.773,1091 12.044,1092 15.19,1093 6.405,1094 23.7,1095 11.898,1096 2.743,1097 9.474,1098 21.497,1099 4.393,1100 13.075,1101 16.567,1102 6.949,1103 25.909,1104 12.916,1105 2.547,1106 8.612,1107 23.319,1108 3.936,1109 14.193,1110 18.051,1111 7.643,1112 28.199,1113 14.016,1114 2.042,1115 8.071,1116 25.144,1117 3.315,1118 15.259,1119 19.472,1120 8.23,1121 30.44,1122 15.068,1123 1.535,1124 6.122,1125 26.971,1126 3.036,1127 16.364,1128 20.943,1129 8.897,1130 32.72,1131 16.156,1132 1.526,1133 4.311,1134 28.801,1135 2.595,1136 17.448,1137 22.387,1138 9.506,1139 34.979,1140 17.225,1141 7177,1142 12450,1143 18.898,1144 27.96,1145 43.654,1146 44.172,1147 43.696,1148 42.848,1149 42.829,1150 56.167,1151 6.757,1152 124.878,1153 42.207,1154 5.48,1155 5.728,1156 5.998,1157 5.104,1158 5.082,1159 7.393,1160 3.272,1161 16.902,1162 5.039,1163 11.026,1164 1.559,1165 1.578,1166 1.561,1167 1.53,1168 1.53,1169 2.006,1170 0.241,1171 4.46,1172 1.507,1173 4.119,1174 4.154,1175 4.084,1176 4.014,1177 7.437,1178 4.025,1179 3.924,1180 3.969,1181 3.869,1182 3.754,1183 7.427,1184 3.769,1185 3.789,1186 3.819,1187 3.72,1188 3.608,1189 5.217,1190 3.633,1191 3.414,1192 3.466,1193 3.348,1194 3.176,1195 5.065,1196 3.207,1197 3.305,1198 3.366,1199 3.206,1200 3.11,1201 4.882,1202 3.121,1203 3.128,1204 3.191,1205 3.016,1206 2.905,1207 4.329,1208 2.918,1209 2.932,1210 3.017,1211 2.803,1212 2.765,1213 4.225,1214 2.77,1215 2.895,1216 2.987,1217 2.68,1218 2.591,1219 3.767,1220 2.608,1221 0.16,1222 0.133,1223 0.231,1224 0.145,1225 0.11,1226 4.48,1227 0.157,1228 3.728,1229 0.067,1230 6.454,1231 0.356,1232 4.068,1233 0.109,1234 3.082,1235 4.393,1236 1.886,1237 9.978,1238 3.039,1239 1.95,1240 1.931,1241 2.042,1242 2.037,1243 1.402,1244 2.039,1245 1.848,1246 1.797,1247 2.024,1248 2.021,1249 1.173,1250 2.022,1251 1.496,1252 1.475,1253 1.587,1254 1.683,1255 0.828,1256 1.647,1257 1.314,1258 1.249,1259 1.551,1260 1.648,1261 0.717,1262 1.595,1263 1.296,1264 1.229,1265 1.464,1266 1.555,1267 0.568,1268 1.55,1269 1.198,1270 1.175,1271 1.357,1272 1.464,1273 0.407,1274 1.405,1275 0.958,1276 0.873,1277 1.229,1278 1.267,1279 0.246,1280 1.275,1281 0.841,1282 0.745,1283 1.182,1284 1.179,1285 0.004,1286 1.199,1287 4.043,1289 5.38,1290 3.045,1291 6.901,1292 5.283,1293 8.501,1294 7.286,1295 10.144,1301 5.366,1303 2.387,1308 -0.299,1309 1.611,1314 27.412,1315 71.139,1316 167.583,1317 200.477,1318 216.477,1319 216.477,1320 216.477,1321 46.329,1322 7.47,1323 118.11,1324 118.11,1325 22,1326 12.497,1327 4.17,1328 3.392,1329 36.053,1330 94,1331 78,1332 0.189,1333 166.808,1334 280.77,1335 398.771,1336 18010,1338 17.389,1339 0.696,1340 0.537,1341 17.389,1342 13.436,1343 12.114,1344 0.433,1345 0.289,1346 7.967,1347 11.517,1348 7.859,1349 6.461,1350 12.114,1351 8.104,1352 11.147,1353 0.279,1354 0.156,1355 11.147,1356 6.241,1357 9.696,1358 0.18,1359 0.085,1360 9.696,1361 4.565,1362 7.86,1363 0.114,1364 0.046,1365 7.86,1366 3.164,1367 5.961,1368 0.073,1369 0.026,1370 5.961,1371 2.098,1372 0.297,1373 77.02,1374 0.23,1375 24.328,1376 0.515,1377 136,1378 439.787,1379 152.242,1380 420.045,1381 568.71,1382 390,1383 162,1384 426.057,1385 179.631,1386 423.966,1387 615.72,1388 398,1389 5.1}
{0 CHEMBL1970522,1 1.708,2 10.087,3 3.496,4 12.219,5 91.11,6 8.822,7 0.48,8 3.732,9 3.814,10 3.483,11 3.353,12 4.974,13 3.326,14 4.172,15 4.283,16 3.866,17 3.692,18 5.42,19 3.649,20 4.333,21 4.473,22 3.83,23 3.719,24 5.614,25 3.659,26 4.295,27 4.466,28 3.711,29 3.645,30 5.487,31 3.551,32 4.266,33 4.437,34 3.704,35 3.654,36 5.424,37 3.542,38 4.224,39 4.393,40 3.638,41 3.549,42 5.441,43 3.464,44 4.109,45 4.291,46 3.499,47 3.326,48 5.426,49 3.281,50 3.886,51 4.028,52 3.212,53 3.176,54 5.351,55 3.113,56 0.08,57 0.499,58 5.92,59 3.374,60 9.072,61 3.489,62 0.229,63 0.798,64 11.754,65 5.371,66 17.612,67 5.758,68 0.331,69 0.904,70 16.614,71 6.837,72 31.804,73 7.052,74 0.306,75 0.868,76 15.359,77 6.546,78 36.659,79 7.08,80 0.291,81 0.877,82 19.781,83 7.26,84 31.531,85 7.225,86 0.256,87 0.827,88 17.736,89 6.558,90 29.286,91 6.677,92 0.388,93 0.7,94 15.094,95 5.33,96 41.396,97 5.708,98 0.344,99 0.56,100 13.05,101 4.625,102 45.268,103 4.65,104 11,105 34,106 0.306,107 0.646,108 0.761,109 0.858,110 0.871,111 0.871,112 3.188,113 0.923,114 -3.73,115 -3.69,116 -3.51,119 45.9,124 1,135 1,138 1,142 8,143 1,144 3,158 1,159 1,172 8,175 4,178 2,180 2,183 9,188 6,191 1,193 3,196 5,199 1,200 5,205 4,208 4,213 3,218 5,221 3,225 6,230 2,233 3,237 1,238 3,241 1,243 1,246 4,249 1,250 1,253 1,254 1,258 7,267 1,272 7,276 741,277 15.61,278 15.61,279 15.61,280 15.61,281 15.61,282 13.576,283 14.539,284 9.289,285 16.095,286 12.299,287 12.299,288 12.299,289 12.299,290 12.299,291 9.185,292 15.157,293 4.385,294 13.043,295 3.501,296 1.602,297 0.96,298 0.419,299 0.345,300 0.345,301 3.869,304 1,305 1,306 1,307 494,308 2.55,311 65.811,312 160.774,319 1.743,320 23.677,321 1,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 50,332 232,333 4.339,334 4.69,335 6.189,336 3.925,337 2.989,338 3.94,339 3.655,340 9.271,341 2.817,342 4.194,343 3.458,344 6.053,345 3.776,346 2.835,347 3.673,348 1.055,349 8.704,350 2.651,351 3.952,352 3.129,353 5.491,354 3.5,355 2.531,356 3.453,357 0.86,358 7.375,359 2.45,360 3.557,361 3.034,362 5.203,363 3.161,364 2.194,365 2.871,366 0.624,367 6.465,368 2.112,369 3.339,370 2.534,371 4.863,372 2.805,373 1.868,374 2.572,376 5.399,377 1.719,378 2.885,379 2.244,380 4.209,381 2.464,382 1.531,383 2.022,385 3.838,386 1.42,387 2.814,388 1.981,389 4.127,390 2.36,391 1.387,392 1.927,394 3.514,395 1.339,396 2.754,397 1.545,398 3.584,399 2.191,400 1.264,401 1.676,403 3.01,404 1.136,405 2.5,406 1.035,407 3.247,408 2,409 1,410 1.5,412 2.136,413 1,414 1.741,415 1,416 3.003,417 1.43,418 0.543,419 0.631,421 0.963,422 0.476,423 1.414,424 0.941,425 2.846,426 1.043,427 0.142,428 0.166,430 0.31,431 0.126,432 1.242,433 0.551,434 2.782,435 0.863,436 -0.077,437 -0.098,439 -0.198,440 -0.072,441 0.976,442 0.533,443 2.278,444 0.538,445 -0.385,446 -0.486,448 -0.891,449 -0.347,450 0.717,451 0.079,452 2,453 0.232,454 -0.753,455 -0.987,457 -1.776,458 -0.719,459 0.584,460 -0.431,461 1.87,462 0.115,463 -0.848,464 -1.164,466 -2.192,467 -0.804,468 11.133,469 0.484,470 0.52,471 0.023,472 32.5,473 1.413,474 18,475 0.783,476 14.5,477 0.63,478 15.167,479 0.659,480 23.667,481 0.64,482 22.287,483 0.969,484 6.599,485 0.287,486 4.553,487 0.198,488 0.105,490 0.314,496 0.862,497 1.031,498 0.709,499 0.83,500 0.77,501 0.789,502 0.837,503 1.05,504 0.792,505 0.946,506 0.645,507 0.866,508 0.951,509 1.179,510 1.064,511 1.156,512 0.989,513 1.061,514 1.043,515 1.017,516 0.957,517 0.922,518 0.949,519 0.999,520 1.113,521 1.015,522 1.423,523 1.146,524 0.975,525 0.955,526 1.069,527 1.182,528 1.261,529 1.253,530 1.213,531 1.07,532 1.073,533 0.92,534 0.89,535 0.922,536 1.436,537 0.851,538 1.002,539 1.105,540 1.482,541 1.337,542 1.216,543 1.151,544 5,545 0.082,546 2,547 1.792,548 0.929,549 0.674,550 0.47,551 0.334,552 0.173,553 0.06,554 5884,555 18561,556 2.067,557 37.8,559 12,562 2,567 1.655,568 1.944,569 3.329,570 0.321,572 1,574 1,577 63.205,578 1.708,579 3.607,580 4.25,581 4.79,582 4.865,583 4.865,584 2.773,585 4.263,586 4.495,587 3.489,588 882.746,589 7.726,590 10236.5,591 1,592 1,593 1,594 1,595 192.75,596 1.371,597 4.458,598 0.2,599 0.007,600 0.059,601 0.056,602 0.034,603 0.025,604 0.019,605 0.015,606 0.01,607 0.005,608 0.429,609 0.5,610 1,611 0.777,612 108.715,613 -0.105,614 -0.009,615 0.034,616 0.068,617 -0.134,618 0.051,619 0.039,620 -0.025,621 0.107,622 0.019,623 0.015,624 0.019,625 0.03,626 -0.172,627 -0.074,628 -0.159,629 -0.012,630 -0.136,631 -0.081,632 -0.022,633 0.02,634 0.053,635 -0.048,636 -0.04,637 -0.178,638 0.039,639 -0.117,640 0.043,641 -0.068,642 0.053,643 -0.105,644 -0.151,645 -0.092,646 -0.163,647 -0.082,648 -0.091,649 0.146,650 0.072,651 0.13,652 0.043,653 0.01,654 0.111,655 0.221,656 -0.098,657 -0.34,658 -0.263,659 0.268,660 -0.21,661 1.864,662 5.039,663 0.739,664 19.985,665 1.015,666 1.109,667 2.496,668 6.231,669 0.719,670 3.258,671 3.555,672 3.784,673 4.007,674 4.159,675 4.127,676 4.263,677 4.344,678 4.369,679 4.394,680 6.08,681 0.69,682 326.4,683 3.258,684 4.779,685 5.609,686 6.469,687 7.315,688 8.178,689 9.031,690 9.896,691 10.753,692 11.618,693 5.4,700 1,702 1,709 8,714 4,716 12,732 1,733 1,735 37,737 15,738 2,739 25,741 39,742 17,743 12,744 4,745 8,746 4,748 3,749 3,762 16,763 1,767 3,772 1,774 1,775 1,776 3,779 1,780 1,783 14,784 5,785 2,786 6,787 1,792 2,797 1,798 3,815 1,816 2,829 1,834 2,843 3,844 1,845 1,847 1,851 23,857 1,860 1,861 1,862 1,874 8.1,876 1,877 1,879 1,881 11.833,882 6.9,883 5.139,884 1.956,886 3.247,887 1.474,888 0.964,889 4.695,890 10.094,891 3.555,892 4.127,893 4.654,894 5.17,895 5.676,896 5.83,897 6.21,898 6.558,899 6.838,900 7.134,901 0.857,902 32,903 8.452,905 3.558,906 7.913,907 15.762,909 12.501,911 2.413,912 55.5,916 141.253,917 146.523,918 34.796,920 78.828,922 32.22,923 114.303,924 220.081,925 34.796,926 10.883,927 18.011,928 85.286,929 74.084,930 38.971,931 0.693,932 173.473,934 141.253,935 149.1,936 78.828,937 32.22,939 141.253,940 78.828,943 34.796,944 103.277,945 11.027,946 32.22,947 141.253,948 113.624,949 146.523,952 141.253,953 50.354,954 96.169,955 18.011,956 95.614,957 141.253,958 113.624,959 146.523,961 0.574,962 0.334,963 0.176,964 0.092,965 16,966 7,967 0.077,968 3,970 1,971 3.597,972 176.205,974 17,975 100.042,977 1,981 15.654,982 6.898,983 3.754,985 113.624,986 14.335,991 1.964,993 60.694,994 401.401,995 34,1000 12.039,1002 1.732,1003 4.39,1004 0.877,1007 37.564,1008 41.036,1009 0.328,1010 0.692,1011 0.816,1012 0.92,1013 0.934,1014 0.934,1015 4.771,1016 1.264,1017 5.58,1018 3.514,1019 4.234,1020 4.812,1021 3.442,1022 6.34,1023 4.124,1024 5.975,1025 1,1026 7.107,1027 3.01,1028 3.761,1029 4.511,1030 1.998,1031 7.096,1032 3.586,1033 7.272,1034 0.543,1035 8.729,1036 2.136,1037 5.784,1038 6.949,1039 5.8,1040 10.156,1041 5.57,1042 8.602,1043 0.142,1044 10.403,1045 0.963,1046 6.111,1047 7.408,1048 4.966,1049 11.704,1050 5.811,1051 9.959,1052 -0.077,1053 12.11,1054 0.31,1055 7.595,1056 9.325,1057 8.334,1058 14.25,1059 7.273,1060 11.334,1061 -0.385,1062 13.84,1063 -0.198,1064 8.302,1065 10.158,1066 7.845,1067 16.145,1068 7.884,1069 12.724,1070 -0.753,1071 15.585,1072 -0.891,1073 9.555,1074 11.826,1075 10.885,1076 18.491,1077 9.113,1078 2.989,1079 -0.848,1080 17.343,1081 -1.776,1082 10.448,1083 12.867,1084 10.642,1085 20.548,1086 9.912,1087 2.835,1088 9.271,1089 19.109,1090 -2.192,1091 11.597,1092 14.4,1093 13.438,1094 22.811,1095 11.029,1096 2.531,1097 8.704,1098 20.883,1099 3.94,1100 12.581,1101 15.562,1102 13.39,1103 24.945,1104 11.926,1105 2.194,1106 7.375,1107 22.663,1108 3.673,1109 13.685,1110 17.018,1111 15.994,1112 27.174,1113 12.989,1114 1.868,1115 6.465,1116 24.448,1117 3.453,1118 14.715,1119 18.254,1120 16.105,1121 29.346,1122 13.939,1123 1.531,1124 5.399,1125 26.237,1126 2.871,1127 15.801,1128 19.665,1129 18.553,1130 31.562,1131 14.976,1132 1.387,1133 3.838,1134 28.029,1135 2.572,1136 16.854,1137 20.947,1138 18.797,1139 33.753,1140 15.955,1141 5728,1142 10306,1143 16.701,1144 26.591,1145 37.059,1146 39.851,1147 37.912,1148 36.539,1149 36.567,1150 48.861,1151 12.388,1152 101.971,1153 34.491,1154 5.118,1155 6.69,1156 5.991,1157 5.051,1158 4.989,1159 6.94,1160 7.134,1161 15.578,1162 4.817,1163 10.503,1164 1.482,1165 1.594,1166 1.516,1167 1.462,1168 1.463,1169 1.954,1170 0.496,1171 4.079,1172 1.38,1173 3.971,1174 3.99,1175 4.087,1176 3.908,1177 7.429,1178 3.899,1179 3.887,1180 3.914,1181 3.842,1182 3.818,1183 6.47,1184 3.815,1185 3.679,1186 3.696,1187 3.765,1188 3.593,1189 4.866,1190 3.565,1191 3.264,1192 3.324,1193 3.149,1194 3.026,1195 4.776,1196 3.043,1197 3.127,1198 3.177,1199 3.028,1200 2.931,1201 4.488,1202 2.937,1203 2.95,1204 2.98,1205 2.941,1206 2.75,1207 4.365,1208 2.77,1209 2.854,1210 2.925,1211 2.784,1212 2.735,1213 3.927,1214 2.715,1215 2.764,1216 2.837,1217 2.687,1218 2.618,1219 3.674,1220 2.595,1221 0.174,1222 0.188,1223 0.248,1224 0.157,1225 0.12,1226 4.339,1227 0.158,1228 4.69,1229 0.146,1230 6.189,1231 0.371,1232 3.925,1233 0.113,1234 2.989,1235 3.94,1236 3.655,1237 9.271,1238 2.817,1239 1.903,1240 1.89,1241 2.004,1242 1.993,1243 1.1,1244 1.991,1245 1.884,1246 1.854,1247 1.986,1248 1.978,1249 1.05,1250 1.988,1251 1.446,1252 1.442,1253 1.586,1254 1.653,1255 0.63,1256 1.613,1257 1.266,1258 1.223,1259 1.489,1260 1.518,1261 0.555,1262 1.524,1263 1.183,1264 1.112,1265 1.295,1266 1.406,1267 0.337,1268 1.424,1269 0.886,1270 0.838,1271 1.181,1272 1.116,1273 0.218,1274 1.107,1275 0.87,1276 0.821,1277 1.098,1278 1.062,1279 0.159,1280 1.094,1281 0.788,1282 0.723,1283 1.042,1284 0.982,1285 0.092,1286 1.015,1287 3.932,1289 5.231,1290 2.398,1291 6.715,1292 4.727,1293 8.279,1294 6.783,1295 9.881,1297 1.48,1302 9.605,1305 2.738,1306 5.067,1307 1.273,1314 25.535,1315 63.205,1316 133.466,1317 157.24,1318 177.24,1319 179.995,1320 179.995,1321 37.277,1322 6.847,1323 74.68,1324 102.92,1325 17,1326 12.166,1327 4,1328 3.322,1329 36.95,1330 83,1331 78,1332 0.217,1333 162.022,1334 286.9,1335 387.093,1336 8096,1338 16.234,1339 0.706,1340 0.571,1341 16.587,1342 13.132,1343 11.152,1344 0.446,1345 0.308,1346 6.841,1347 10.302,1348 6.597,1349 5.505,1350 11.56,1351 7.688,1352 9.875,1353 0.29,1354 0.17,1355 10.544,1356 5.779,1357 8.169,1358 0.19,1359 0.094,1360 8.938,1361 4.049,1362 6.614,1363 0.122,1364 0.053,1365 7.504,1366 2.877,1367 5.093,1368 0.081,1369 0.028,1370 5.799,1371 1.795,1372 0.342,1373 74.082,1374 0.245,1375 22.808,1376 0.588,1377 118,1378 388.459,1379 156.095,1380 394.568,1381 533.02,1382 368,1383 136,1384 370.025,1385 169.63,1386 392.151,1387 569.79,1388 367,1389 5.1}
{0 CHEMBL1970709,1 1.714,2 10.238,3 2.922,4 8.538,5 84.964,6 10.154,7 0.696,8 3.651,9 3.771,10 3.481,11 3.252,12 4.828,13 3.233,14 4.111,15 4.255,16 3.879,17 3.635,18 5.309,19 3.582,20 4.324,21 4.51,22 3.833,23 3.695,24 5.408,25 3.593,26 4.322,27 4.558,28 3.55,29 3.495,30 5.394,31 3.388,32 4.116,33 4.361,34 3.43,35 3.253,36 5.261,37 3.186,38 3.964,39 4.157,40 3.445,41 3.183,42 5.219,43 3.132,44 3.889,45 4.093,46 3.347,47 3.159,48 5.148,49 3.079,50 3.743,51 3.935,52 3.491,53 3.144,54 4.84,55 3.046,56 0.078,57 0.526,58 3.619,59 2.638,60 6.305,61 3.079,62 0.199,63 0.801,64 7.185,65 4.543,66 16.324,67 5.485,68 0.205,69 0.913,70 20.35,71 6.577,72 25.18,73 7.562,74 0.272,75 0.878,76 24.165,77 6.494,78 32.291,79 7.689,80 0.261,81 0.708,82 14.723,83 5.039,84 29.834,85 6.177,86 0.239,87 0.596,88 19.177,89 4.307,90 29.026,91 4.531,92 0.304,93 0.554,94 14.331,95 4.212,96 34.131,97 4.869,98 0.169,99 0.488,100 11.056,101 3.659,102 18.383,103 4.411,104 5,105 31,106 0.312,107 0.656,108 0.789,109 0.873,110 0.873,111 0.873,112 3.102,113 0.942,114 -3.94,115 -3.9,116 -3.7,117 1,119 44.1,125 1,142 7,143 2,144 2,145 1,152 1,159 1,168 1,172 6,175 1,178 2,179 1,180 5,183 8,188 2,193 6,196 6,200 4,205 5,208 1,213 4,216 1,217 1,218 4,225 2,230 3,233 2,237 1,241 2,242 1,246 6,250 1,255 1,258 8,264 1,269 1,272 4,276 565,277 14.24,278 14.24,279 14.24,280 14.24,281 14.24,282 12.172,283 13.592,284 8.517,285 14.564,286 11.37,287 11.37,288 11.37,289 11.37,290 11.37,291 8.285,292 17.987,293 4.1,294 11.94,295 3.374,296 1.483,297 0.754,298 0.294,299 0.294,300 0.294,301 3.785,304 1,305 1,306 1,307 469,308 2.915,311 52.506,312 130.452,315 90.794,319 1.583,320 14.884,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 44.75,332 215,333 4.427,334 3.551,335 6.195,336 3.928,337 2.947,338 4.366,339 1.659,340 9.267,341 2.889,342 4.017,343 2.946,344 5.461,345 3.603,346 2.638,347 3.616,348 0.564,349 7.285,350 2.545,351 3.801,352 2.93,353 5.38,354 3.43,355 2.47,356 3.154,357 0.133,358 7.061,359 2.363,360 3.46,361 2.577,362 4.91,363 3.036,364 2.124,365 2.743,367 5.75,368 1.945,369 3.334,370 2.315,371 4.74,372 2.88,373 1.919,374 2.572,376 5.263,377 1.693,378 3.034,379 1.534,380 4.359,381 2.517,382 1.534,383 2.301,385 4.2,386 1.507,387 2.588,388 1.251,389 3.451,390 2.067,391 1.103,392 1.628,394 2.455,395 1.06,396 2.5,397 1.131,398 3.414,399 2,400 1,401 1.5,403 2.275,404 1,405 1.965,406 1,407 3.195,408 1.624,409 0.691,410 0.804,412 1.598,413 0.622,414 1.856,415 0.655,416 3.014,417 1.424,418 0.456,419 0.649,421 1.088,422 0.436,423 1.153,424 0.483,425 2.64,426 0.787,427 -0.123,428 -0.147,430 -0.292,431 -0.085,432 1.094,433 0.251,434 2.247,435 0.619,436 -0.315,437 -0.413,439 -0.752,440 -0.268,441 0.637,442 -0.292,443 2,444 0.139,445 -0.857,446 -1.147,448 -2.323,449 -0.748,450 0.5,451 -0.684,452 1.936,453 0.003,454 -1,455 -1.3,457 -2.511,458 -0.855,459 0.496,460 -0.902,461 1.643,463 -1,464 -1.464,466 -2.583,467 -0.995,468 10.767,469 0.513,470 0.468,471 0.022,472 29.25,473 1.393,474 16,475 0.762,476 13.25,477 0.631,478 14.088,479 0.671,480 21.033,481 0.619,482 17.849,483 0.85,484 5.817,485 0.277,486 4.386,487 0.209,488 0.155,490 0.279,496 0.768,497 1.034,498 0.479,499 0.686,500 0.588,501 0.731,502 0.597,503 1.067,504 0.588,505 0.818,506 0.534,507 0.921,508 1.073,509 1.201,510 0.999,511 1.128,512 1.027,513 1.173,514 1.238,515 1.123,516 0.825,517 1.011,518 1.187,519 1.066,520 1.231,521 0.863,522 0.377,523 0.685,524 1.458,525 0.789,526 1.773,527 1.086,528 1.119,529 1.121,530 2.098,531 1.025,532 1.168,533 0.639,534 0.808,535 0.794,536 1.754,537 0.876,538 0.614,539 0.91,540 0.741,541 1.042,542 0.802,543 1.047,544 4.5,545 0.065,546 2,547 0.882,548 0.911,549 0.399,550 0.33,551 0.227,552 0.072,553 0.118,554 5070,555 16450,556 2.102,557 38.2,559 9,561 1,562 3,567 1.624,568 2,569 3.338,570 1.109,572 1,574 1,577 58.265,578 1.714,579 3.605,580 4.333,581 4.793,582 4.793,583 4.793,584 2.761,585 4.202,586 4.367,587 3.489,588 732.764,589 7.438,590 8115.31,591 1,592 1,593 1,594 1,595 172.974,596 1.268,597 4.338,598 0.196,599 0.005,600 0.065,601 0.033,602 0.043,603 0.021,604 0.018,605 0.013,606 0.005,607 0.009,608 0.408,609 0.5,610 1,611 0.532,612 97.152,613 -0.05,614 0.103,615 -0.005,616 0.066,617 -0.066,618 0.059,619 0.173,620 0.015,621 0.001,622 -0.01,623 0.098,624 -0.079,625 -0.176,626 -0.225,627 -0.1,628 -0.187,629 -0.139,630 -0.228,631 -0.175,632 -0.174,633 -0.061,634 -0.1,635 -0.082,636 -0.086,637 0.001,638 0.078,639 0.086,640 0.144,641 0.015,642 0.178,643 -0.273,644 -0.123,645 -0.114,646 -0.156,647 -0.187,648 -0.1,649 0.197,650 0.308,651 -0.026,652 0.129,653 0.019,654 0.074,655 0.169,656 0.024,657 0.095,658 -0.091,659 0.03,660 -0.056,661 1.902,662 4.872,663 0.714,664 16.186,665 1.011,666 1.121,667 2.713,668 7.36,669 0.725,670 3.178,671 3.466,672 3.664,673 3.871,674 4.025,675 3.97,676 4.007,677 4.078,678 3.85,679 3.892,680 6.086,681 0.69,682 345.22,683 3.178,684 4.691,685 5.509,686 6.358,687 7.191,688 8.04,689 8.879,690 9.729,691 10.572,692 11.423,693 11.8,700 2,701 1,703 1,708 2,709 8,710 1,711 1,714 3,716 16,734 1,735 34,737 17,738 2,739 23,740 1,741 36,742 15,743 13,744 5,745 7,748 3,749 4,753 1,762 14,763 1,767 1,772 1,776 1,779 1,780 1,783 13,784 4,785 3,786 6,787 1,792 4,797 0.667,798 1,807 1,815 1,816 2,819 1,843 2,846 1,851 21,858 1,860 2,873 1,874 2.9,877 1,881 10.5,882 5.926,883 4.611,884 1.84,886 2.924,887 1.441,888 1.026,889 4.223,890 9.56,891 3.497,892 4.107,893 4.655,894 5.227,895 5.699,896 5.861,897 6.154,898 6.479,899 6.097,900 6.244,901 0.857,902 27,903 7.699,905 3.213,906 7.774,907 14.577,909 11.671,911 2.274,912 47.75,916 117.711,917 95.477,918 115.302,920 25.145,923 141.431,924 142.856,925 69.348,927 38.127,928 66.334,929 53.579,930 37.281,931 6.42,932 105.94,933 45.954,934 117.711,935 164.825,936 25.145,938 45.954,939 117.711,940 25.145,943 63.838,944 84.324,945 16.663,946 45.954,947 117.711,948 94.492,949 141.431,952 117.711,953 20.096,954 75.381,955 98.639,956 41.808,957 117.711,958 94.492,959 141.431,961 0.577,962 0.321,963 0.165,964 0.089,965 15,966 6,967 0.083,968 3,969 1,970 1.133,971 3.519,972 151.517,973 0.133,974 15,975 88.239,981 14.108,982 6.286,983 3.625,984 1.9,985 77.829,986 15.123,987 3.947,988 2.869,991 2.792,993 52.685,994 353.635,995 32,1000 11.872,1004 -0.235,1007 34.382,1008 38.12,1009 0.337,1010 0.709,1011 0.852,1012 0.942,1013 0.942,1014 0.942,1015 4.691,1016 1,1017 5.468,1018 2.455,1019 4.143,1020 4.792,1021 1.848,1022 6.192,1023 4.057,1024 5.894,1025 0.691,1026 6.971,1027 2.275,1028 3.611,1029 4.543,1030 1.195,1031 6.88,1032 3.448,1033 7.186,1034 0.456,1035 8.564,1036 1.598,1037 5.659,1038 7.007,1039 2.443,1040 9.908,1041 5.509,1042 8.512,1043 -0.123,1044 10.208,1045 1.088,1046 5.916,1047 7.592,1048 2.324,1049 11.414,1050 5.711,1051 9.866,1052 -0.315,1053 11.886,1054 -0.292,1055 7.418,1056 9.51,1057 3.261,1058 13.93,1059 7.219,1060 11.24,1061 -0.857,1062 13.588,1063 -0.752,1064 8.055,1065 10.514,1066 3.415,1067 15.807,1068 7.82,1069 12.631,1070 -1,1071 15.308,1072 -2.323,1073 9.315,1074 12.189,1075 4.173,1076 18.135,1077 9.078,1078 2.947,1079 -1,1080 17.041,1081 -2.511,1082 10.152,1083 13.418,1084 4.478,1085 20.192,1086 9.888,1087 2.638,1088 9.267,1089 18.787,1090 -2.583,1091 11.299,1092 14.979,1093 5.131,1094 22.449,1095 11.028,1096 2.47,1097 7.285,1098 20.542,1099 4.366,1100 12.242,1101 16.326,1102 5.522,1103 24.592,1104 11.949,1105 2.124,1106 7.061,1107 22.306,1108 3.616,1109 13.339,1110 17.834,1111 6.114,1112 26.823,1113 13.034,1114 1.919,1115 5.75,1116 24.077,1117 3.154,1118 14.338,1119 19.242,1120 6.554,1121 29.008,1122 14.015,1123 1.534,1124 5.263,1125 25.855,1126 2.743,1127 15.413,1128 20.727,1129 7.11,1130 31.232,1131 15.076,1132 1.103,1133 4.2,1134 27.639,1135 2.572,1136 16.443,1137 22.165,1138 7.577,1139 33.437,1140 16.088,1141 4832,1142 8801,1143 15.603,1144 24.637,1145 34.138,1146 34.855,1147 34.327,1148 33.975,1149 33.765,1150 46.664,1151 4.711,1152 92.487,1153 32.121,1154 5.321,1155 5.551,1156 5.707,1157 4.978,1158 4.947,1159 7.366,1160 2.921,1161 15.548,1162 4.889,1163 8.089,1164 1.484,1165 1.515,1166 1.492,1167 1.477,1168 1.468,1169 2.029,1170 0.205,1171 4.021,1172 1.397,1173 4.097,1174 4.14,1175 6.88,1176 3.987,1177 7.431,1178 3.998,1179 3.917,1180 3.946,1181 4.057,1182 3.879,1183 5.095,1184 3.859,1185 3.573,1186 3.632,1187 3.777,1188 3.311,1189 4.749,1190 3.349,1191 3.313,1192 3.383,1193 3.502,1194 3.146,1195 4.442,1196 3.142,1197 3.04,1198 3.089,1199 3.199,1200 2.906,1201 4.075,1202 2.898,1203 2.911,1204 2.966,1205 2.855,1206 2.756,1207 3.813,1208 2.758,1209 2.854,1210 2.925,1211 2.759,1212 2.735,1213 3.674,1214 2.715,1215 2.541,1216 2.625,1217 2.687,1218 2.37,1219 3.642,1220 2.322,1221 0.192,1222 0.154,1223 0.269,1224 0.171,1225 0.128,1226 4.427,1227 0.19,1228 3.551,1229 0.072,1230 6.195,1231 0.403,1232 3.928,1233 0.126,1234 2.947,1235 4.366,1236 1.659,1237 9.267,1238 2.889,1239 1.936,1240 1.911,1241 2.02,1242 2.037,1243 1.161,1244 2.033,1245 1.903,1246 1.88,1247 1.995,1248 1.977,1249 1.145,1250 1.992,1251 1.392,1252 1.336,1253 1.551,1254 1.694,1255 0.686,1256 1.652,1257 1.309,1258 1.229,1259 1.464,1260 1.619,1261 0.408,1262 1.581,1263 1.098,1264 1.047,1265 1.27,1266 1.303,1267 0.337,1268 1.309,1269 0.886,1270 0.821,1271 1.181,1272 1.083,1273 0.218,1274 1.107,1275 0.854,1276 0.808,1277 1.073,1278 1.062,1279 0.029,1280 1.094,1281 0.669,1282 0.595,1283 0.923,1284 0.892,1286 0.913,1287 3.85,1289 5.142,1290 2.398,1291 6.611,1292 4.595,1293 8.16,1294 6.581,1295 9.752,1296 3.379,1303 0.479,1305 5.625,1314 23.46,1315 58.265,1316 122.567,1317 147.322,1318 162.974,1319 162.974,1320 162.974,1321 26.413,1322 6.636,1323 69.81,1324 69.81,1325 17,1326 11.982,1327 4.17,1328 3.322,1329 32.503,1330 77,1331 73,1332 0.203,1333 152.143,1334 249.23,1335 362.99,1336 6577,1337 2.9,1338 14.656,1339 0.698,1340 0.602,1341 15.656,1342 12.645,1343 10.204,1344 0.444,1345 0.314,1346 6.396,1347 9.29,1348 6.227,1349 5.167,1350 10.781,1351 7.223,1352 9.174,1353 0.296,1354 0.178,1355 9.991,1356 5.522,1357 7.337,1358 0.193,1359 0.095,1360 7.914,1361 3.593,1362 5.839,1363 0.124,1364 0.048,1365 6.172,1366 2.245,1367 4.584,1368 0.083,1369 0.029,1370 5.056,1371 1.602,1372 0.327,1373 71.986,1374 0.253,1375 21.359,1376 0.532,1377 108,1378 323.034,1379 183.134,1380 355.218,1381 472.35,1382 330,1383 123,1384 320.413,1385 160.002,1386 338.814,1387 486.19,1388 318,1389 5.1}
{0 CHEMBL1970735,1 1.685,2 7.059,3 0.866,4 0.751,5 63.784,6 7.558,7 0.353,8 3.514,9 3.646,10 3.055,11 2.945,12 4.781,13 2.954,14 3.988,15 4.178,16 3.348,17 3.227,18 5.199,19 3.213,20 4.168,21 4.375,22 3.405,23 3.282,24 5.422,25 3.289,26 4.133,27 4.347,28 3.438,29 3.246,30 5.586,31 3.237,32 4.036,33 4.228,34 3.192,35 3.21,36 5.303,37 3.186,38 4.04,39 4.257,40 3.134,41 3.19,42 5.394,43 3.116,44 4.048,45 4.3,46 2.759,47 3.053,48 5.267,49 2.931,50 3.867,51 4.174,52 2.271,53 2.731,54 5.14,55 2.537,56 0.074,57 0.45,58 6.178,59 2.312,60 13.148,61 3.241,62 0.259,63 0.612,64 11.536,65 3.778,66 25.401,67 5.486,68 0.333,69 0.681,70 14.607,71 3.56,72 49.191,73 5.504,74 0.46,75 0.656,76 14.16,77 3.953,78 56.478,79 5.884,80 0.304,81 0.629,82 12.233,83 3.045,84 44.248,85 4.641,86 0.334,87 0.605,88 12.413,89 3.696,90 52.425,91 5.68,92 0.309,93 0.531,94 13.537,95 3.511,96 55.72,97 5.527,98 0.29,99 0.382,100 12.112,101 2.956,102 67.278,103 4.973,104 40,105 22,106 0.323,107 0.716,108 0.855,109 0.855,110 0.855,111 0.855,112 2.907,113 0.916,114 -2.52,115 -2.54,116 -2.48,119 35.5,120 2,121 1,125 1,142 1,143 1,144 1,147 2,158 2,163 1,164 1,165 1,172 1,174 1,175 6,178 2,180 4,183 1,185 2,188 1,199 3,200 5,202 3,203 4,204 1,205 1,207 1,208 2,213 1,221 1,224 1,225 3,227 1,228 2,230 3,233 2,235 2,238 1,243 2,246 1,248 1,249 1,250 2,258 1,264 1,272 1,276 324,277 11.154,278 11.154,279 11.154,280 11.154,281 11.154,282 10.079,283 15.702,284 6.842,285 11.392,286 8.298,287 8.298,288 8.298,289 8.298,290 8.298,291 6.552,292 22.096,293 3.107,294 8.711,295 3.27,296 1.225,297 0.5,298 0.5,299 0.5,300 0.5,301 3.531,305 1,306 1,307 229,308 3.162,312 60.335,319 1.017,320 22.735,323 1,324 1,325 1,326 1,327 0.5,328 1,329 1,330 0.93,331 38,332 120,333 4.446,334 4.087,335 6.478,336 4.003,337 3.047,338 4.136,339 2.035,340 10.059,341 2.917,342 3.764,343 3.535,344 5.39,345 3.389,346 2.42,347 3.04,348 1.907,349 7.053,350 2.34,351 3.4,352 3.12,353 5.065,354 2.94,355 2.026,356 2.56,357 0.86,358 5.793,359 1.861,360 3.317,361 2.434,362 4.444,363 2.848,364 1.844,365 2.49,366 0.149,367 4.566,368 1.812,369 3.099,370 2.265,371 3.707,372 2.382,373 1.43,374 1.61,376 2.832,377 1.354,378 2.464,379 1.657,380 3.252,381 1.885,382 0.945,383 1.337,385 1.823,386 0.884,387 1.594,388 1.053,389 2.693,390 1.151,391 0.246,392 0.282,394 0.383,395 0.221,396 1.301,397 0.628,398 2.526,399 0.832,400 -0.112,401 -0.162,403 -0.215,404 -0.105,405 0.947,406 0.404,407 2.319,408 0.568,409 -0.378,410 -0.484,412 -0.897,413 -0.357,414 0.74,415 -0.038,416 1.895,417 0.353,418 -0.576,419 -0.704,421 -1.196,422 -0.526,423 0.374,424 -0.254,425 1.407,426 0.096,427 -1,428 -1.233,430 -2,431 -1.051,432 0.026,433 -0.783,434 1.19,435 -0.187,436 -1.132,437 -1.454,439 -2.424,440 -1.107,441 -0.159,442 -1.001,443 1,444 -0.43,445 -1.387,446 -1.674,448 -3.537,449 -1.327,450 -0.301,451 -1.263,452 1,453 -0.66,454 -1.625,455 -2.091,456 -0.657,457 -4.583,458 -1.56,459 -0.5,460 -1.486,461 1,462 -0.913,463 -1.842,464 -2.201,465 -0.86,466 -5.215,467 -1.659,468 7.767,469 0.457,470 0.421,471 0.025,472 22.75,473 1.338,474 12,475 0.706,476 10.75,477 0.632,478 11.005,479 0.647,480 19.233,481 0.62,482 15.237,483 0.896,484 4.419,485 0.26,486 3.66,487 0.215,488 0.275,490 0.322,496 0.889,497 1.446,498 0.82,499 1.218,500 0.669,501 1.02,502 0.754,503 1.172,504 0.707,505 1.068,506 0.493,507 0.92,508 1.465,509 1.187,510 0.964,511 0.909,512 1.134,513 0.836,514 0.747,515 0.847,516 0.746,517 0.882,518 0.524,519 0.842,520 1.55,521 1.142,522 1.364,523 1.044,524 1.382,525 1.127,526 0.665,527 1.119,528 1.103,529 1.246,530 0.865,531 1.253,532 1.231,533 1.037,534 1.336,535 1.144,536 1.379,537 1.244,538 0.845,539 0.782,540 1.147,541 0.987,542 1.232,543 1.104,544 4,546 1.556,547 1.5,548 0.964,549 0.66,550 0.385,551 0.153,552 0.049,554 1851,555 6485,556 1.838,557 45.2,558 3,559 3,562 3,563 3,564 2,567 1.576,568 1.672,569 2.832,570 1.309,572 1,574 1,577 52.223,578 1.685,579 3.729,580 4.454,581 4.454,582 4.454,583 4.454,584 2.257,585 3.735,586 4.051,587 2.958,588 402.329,589 6.887,590 3691.36,592 1,595 153.58,596 1.566,597 3.976,598 0.235,600 0.071,601 0.065,602 0.042,603 0.037,604 0.024,605 0.015,606 0.01,608 0.499,609 0.5,610 1,611 1.805,612 70.02,613 -0.127,614 -0.157,615 -0.003,616 -0.075,617 -0.073,618 -0.011,619 0.181,620 -0.108,621 0.212,622 -0.007,623 0.121,624 0.083,625 -0.274,626 -0.179,627 0.016,628 0.042,629 -0.169,630 0.09,631 0.364,632 0.173,633 0.233,634 0.067,635 0.323,636 0.093,637 -0.44,638 -0.023,639 -0.433,640 -0.095,641 -0.355,642 -0.229,643 0.169,644 -0.057,645 -0.188,646 -0.252,647 0.082,648 -0.284,649 -0.269,650 -0.113,651 -0.364,652 -0.204,653 -0.232,654 -0.288,655 -0.015,656 0.021,657 -0.132,658 -0.094,659 0.022,660 -0.127,661 1.928,662 3.907,663 0.353,664 12.298,665 1.015,666 1.145,667 1.286,668 1.655,669 0.637,670 2.89,671 3.135,672 3.296,673 3.526,674 3.611,675 3.664,676 3.497,677 3.258,678 2.485,679 1.792,680 4.437,681 0.618,682 234.29,683 2.89,684 4.369,685 5.165,686 6.019,687 6.845,688 7.712,689 8.55,690 9.422,691 10.266,692 11.139,693 12.9,697 1,700 1,702 1,703 1,709 1,710 1,714 4,716 6,718 1,727 1,733 1,735 31,737 8,739 17,741 31,742 11,743 5,748 1,749 1,754 2,760 1,761 1,762 6,763 4,767 1,772 1,776 1,780 1,783 14,784 6,785 3,786 6,792 4,797 1,798 2,809 1,816 1,829 1,843 1,847 2,851 17,852 1,858 2,860 1,861 1,866 1,870 1,872 1,874 6.5,877 1,879 1,881 10.167,882 6.15,883 4.056,884 1.879,886 1.549,887 1.277,888 0.902,889 4.739,890 7.132,891 3.178,892 3.651,893 4.131,894 4.711,895 5.097,896 5.358,897 5.385,898 5.482,899 4.427,900 3.944,901 0.8,902 23,903 6.206,905 2.454,906 8.196,907 11.29,909 8.24,911 2.696,912 45.833,913 0.001,916 129.482,917 68.645,918 98.753,920 36.145,923 68.645,924 165.627,925 98.753,926 17.65,927 25.138,928 42.373,929 63.237,930 48.002,931 7.143,932 129.482,934 129.482,935 167.398,936 36.145,939 105.94,940 59.687,943 73.847,944 76.765,945 16.786,947 129.482,948 134.898,949 68.645,952 129.482,953 24.916,954 27.127,955 34.612,956 116.887,957 129.482,958 134.898,959 68.645,961 0.552,962 0.307,963 0.177,964 0.094,965 8,966 5,967 0.129,968 4,970 1,971 2.788,972 106.062,974 6,975 69.487,981 13.274,982 6.069,983 3.613,985 134.898,986 1.429,987 4.025,991 0.85,993 50.908,994 333.025,995 23,1000 10.907,1004 -0.261,1007 31.48,1008 35.488,1009 0.34,1010 0.753,1011 0.899,1012 0.899,1013 0.899,1014 0.899,1015 4.388,1016 -0.112,1017 5.142,1018 0.383,1019 3.807,1020 4.331,1021 2.822,1022 5.911,1023 3.712,1024 5.596,1025 -0.378,1026 6.678,1027 -0.215,1028 3.434,1029 4.205,1030 1.593,1031 6.783,1032 3.334,1033 6.895,1034 -0.576,1035 8.318,1036 -0.897,1037 5.342,1038 6.47,1039 3.982,1040 9.849,1041 5.155,1042 8.227,1043 -1,1044 10.018,1045 -1.196,1046 5.74,1047 7.128,1048 3.032,1049 11.531,1050 5.545,1051 9.587,1052 -1.132,1053 11.757,1054 -2,1055 7.169,1056 8.925,1057 5.295,1058 14.134,1059 6.899,1060 10.969,1061 -1.387,1062 13.523,1063 -2.424,1064 7.943,1065 9.965,1066 4.409,1067 16.167,1068 7.653,1069 12.369,1070 -1.625,1071 15.309,1072 -3.537,1073 9.176,1074 11.564,1075 6.658,1076 18.596,1077 8.826,1078 3.047,1079 -1.842,1080 17.111,1081 -4.583,1082 10.132,1083 12.794,1084 5.75,1085 20.784,1086 9.75,1087 2.42,1088 10.059,1089 18.925,1090 -5.215,1091 11.286,1092 14.301,1093 8.039,1094 23.143,1095 10.853,1096 2.026,1097 7.053,1098 20.749,1099 4.136,1100 12.326,1101 15.626,1102 7.068,1103 25.398,1104 11.855,1105 1.844,1106 5.793,1107 22.582,1108 3.04,1109 13.451,1110 17.09,1111 9.429,1112 27.729,1113 12.933,1114 1.43,1115 4.566,1116 24.421,1117 2.56,1118 14.53,1119 18.462,1120 8.374,1121 30.013,1122 13.969,1123 0.945,1124 2.832,1125 26.265,1126 2.49,1127 15.645,1128 19.904,1129 10.824,1130 32.332,1131 15.039,1132 0.246,1133 1.823,1134 28.114,1135 1.61,1136 16.741,1137 21.299,1138 9.674,1139 34.629,1140 16.092,1141 2090,1142 4005,1143 10.345,1144 19.739,1145 25.226,1146 27.449,1147 25.824,1148 23.857,1149 23.916,1150 30.914,1151 9.901,1152 65.019,1153 22.778,1154 5.248,1155 6.087,1156 6.338,1157 5.056,1158 5.047,1159 7.136,1160 4.069,1161 16.948,1162 4.863,1163 10.876,1164 1.484,1165 1.615,1166 1.519,1167 1.403,1168 1.407,1169 1.818,1170 0.582,1171 3.825,1172 1.34,1173 3.937,1174 3.971,1175 3.91,1176 3.801,1177 7.43,1178 3.824,1179 3.595,1180 3.661,1181 3.474,1182 3.419,1183 6.82,1184 3.405,1185 3.533,1186 3.582,1187 3.393,1188 3.31,1189 5.119,1190 3.335,1191 3.149,1192 3.21,1193 3.105,1194 2.971,1195 4.774,1196 2.993,1197 3.044,1198 3.137,1199 2.901,1200 2.728,1201 4.347,1202 2.759,1203 2.887,1204 3.001,1205 2.694,1206 2.557,1207 3.967,1208 2.576,1209 2.616,1210 2.724,1211 2.379,1212 2.343,1213 3.787,1214 2.349,1215 2.469,1216 2.565,1217 2.219,1218 2.113,1219 3.442,1220 2.131,1221 0.262,1222 0.24,1223 0.381,1224 0.235,1225 0.179,1226 4.446,1227 0.243,1228 4.087,1229 0.12,1230 6.478,1231 0.592,1232 4.003,1233 0.172,1234 3.047,1235 4.136,1236 2.035,1237 10.059,1238 2.917,1239 1.849,1240 1.821,1241 1.932,1242 2.012,1243 1.134,1244 1.985,1245 1.593,1246 1.524,1247 1.868,1248 1.804,1249 0.937,1250 1.832,1251 1.455,1252 1.404,1253 1.699,1254 1.706,1255 0.711,1256 1.7,1257 1.078,1258 1.026,1259 1.345,1260 1.32,1261 0.462,1262 1.319,1263 0.953,1264 0.869,1265 1.204,1266 1.289,1267 0.137,1268 1.274,1269 0.816,1270 0.693,1271 1.128,1272 1.191,1274 1.193,1275 0.536,1276 0.452,1277 0.839,1278 0.909,1280 0.892,1281 0.41,1282 0.3,1283 0.789,1284 0.75,1286 0.764,1287 3.555,1289 4.812,1291 6.267,1293 7.833,1295 9.463,1297 3.301,1301 5.686,1303 1.224,1305 2.494,1306 5.315,1312 8.934,1313 1.928,1314 19.149,1315 52.223,1316 115.606,1317 138.07,1318 138.07,1319 138.07,1320 138.07,1321 39.028,1322 5.583,1323 101.03,1324 101.03,1325 6,1326 11.687,1327 3.17,1328 2.807,1329 37.755,1330 44,1331 48,1332 0.446,1333 126.498,1334 221.34,1335 300.415,1336 1285,1338 12.836,1339 0.755,1340 0.575,1341 12.836,1342 9.78,1343 8.079,1344 0.475,1345 0.305,1346 5.095,1347 7.662,1348 4.918,1349 4.178,1350 8.079,1351 5.191,1352 6.919,1353 0.314,1354 0.155,1355 6.919,1356 3.418,1357 4.882,1358 0.188,1359 0.072,1360 4.882,1361 1.876,1362 4.257,1363 0.129,1364 0.036,1365 4.257,1366 1.2,1367 2.813,1368 0.078,1369 0.019,1370 2.813,1371 0.702,1372 0.666,1373 51.418,1374 0.311,1375 16.996,1376 1.315,1377 78,1378 296.406,1379 89.752,1380 284.634,1381 372.24,1382 262,1383 87,1384 262.415,1385 97.479,1386 264.072,1387 377.56,1388 246,1389 5.1}
{0 CHEMBL1970806,1 1.733,2 8.391,3 2.887,4 8.333,5 86.049,6 8.984,7 0.593,8 3.753,9 3.858,10 3.545,11 3.387,12 4.864,13 3.362,14 4.298,15 4.442,16 3.993,17 3.832,18 5.409,19 3.781,20 4.507,21 4.692,22 4.014,23 3.92,24 5.58,25 3.835,26 4.468,27 4.656,28 4,29 3.807,30 5.599,31 3.742,32 4.269,33 4.458,34 3.747,35 3.603,36 5.351,37 3.568,38 4.22,39 4.419,40 3.571,41 3.521,42 5.33,43 3.489,44 4.199,45 4.389,46 3.475,47 3.444,48 5.447,49 3.377,50 3.901,51 4.074,52 3.163,53 3.243,54 5.019,55 3.117,56 0.067,57 0.611,58 5.415,59 3.05,60 4.98,61 3.35,62 0.254,63 1.041,64 11.994,65 5.597,66 16.468,67 6.546,68 0.262,69 1.211,70 20.982,71 8.278,72 27.312,73 9.375,74 0.343,75 1.211,76 22.343,77 7.474,78 28.278,79 8.119,80 0.253,81 0.996,82 15.084,83 5.045,84 15.852,85 5.34,86 0.246,87 0.894,88 12.011,89 4.362,90 21.106,91 4.822,92 0.375,93 0.809,94 13.275,95 4.926,96 46.686,97 4.976,98 0.21,99 0.61,100 11.987,101 4.461,102 28.534,103 4.499,104 2,105 40,106 0.309,107 0.703,108 0.812,109 0.861,110 0.881,111 0.881,112 3.191,113 0.94,114 -4.28,115 -4.22,116 -3.98,119 44.4,121 4,142 2,143 3,145 2,149 1,152 1,153 1,159 1,161 1,166 1,172 7,174 3,175 6,178 2,180 2,183 9,187 1,188 7,191 1,193 1,196 6,199 3,200 10,203 1,205 2,208 3,212 1,213 9,218 3,221 2,225 8,230 1,233 4,237 1,238 5,241 1,243 1,246 5,250 2,258 5,264 2,272 3,276 632,277 16.085,278 16.085,279 16.085,280 16.085,281 16.085,282 14.151,283 15.889,284 9.406,285 16.504,286 13.392,287 13.392,288 13.392,289 13.392,290 13.392,291 10.275,292 20.315,293 4.519,294 14.105,295 3.437,296 1.222,297 0.611,298 0.333,299 0.222,300 0.222,301 3.909,304 1,305 1,306 1,307 444,308 2.121,311 57.413,312 128.377,315 162.162,318 69.921,319 1.278,320 19.9,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 49.5,332 193,333 4.727,334 3.74,335 7.067,336 4.329,337 3.381,338 4.474,339 1.629,340 12.229,341 3.205,342 4.314,343 3.3,344 6.404,345 3.893,346 2.943,347 3.979,348 0.142,349 9.872,350 2.802,351 3.98,352 2.901,353 6.034,354 3.603,355 2.632,356 3.481,358 8.611,359 2.546,360 3.48,361 2.501,362 5.55,363 3.071,364 2.117,365 2.768,367 6.848,368 2.031,369 3.378,370 2.265,371 5.315,372 3.031,373 2.089,374 2.599,376 6.514,377 1.931,378 3.148,379 1.931,380 4.631,381 2.666,382 1.741,383 2.382,385 4.647,386 1.597,387 2.795,388 1.67,389 4.358,390 2.421,391 1.474,392 1.876,394 3.949,395 1.379,396 2.5,397 1.407,398 3.775,399 2.328,400 1.341,401 1.5,403 2.96,404 1.318,405 2.476,406 1.24,407 3.615,408 2.002,409 1.044,410 1.468,412 2.62,413 0.997,414 2.435,415 1.033,416 3.5,417 1.954,418 1,419 1.425,421 2.178,422 0.951,423 2.268,424 1,425 3.369,426 1.729,427 0.763,428 1.104,430 2.136,431 0.727,432 1.69,433 0.51,434 3.247,435 1.371,436 0.447,437 0.547,439 1.208,440 0.406,441 1.107,442 0.41,443 2.758,444 0.71,445 -0.248,446 -0.307,448 -0.667,449 -0.232,450 0.754,451 -0.434,452 2.526,453 0.296,454 -0.665,455 -0.831,457 -1.54,458 -0.633,459 0.5,460 -0.612,461 2.4,462 0.169,463 -0.756,464 -0.908,466 -2.062,467 -0.68,468 11.167,469 0.486,470 0.534,471 0.023,472 32,473 1.391,474 16,475 0.696,476 16,477 0.696,478 18.073,479 0.786,480 23.033,481 0.64,482 19.566,483 0.851,484 5.703,485 0.248,486 5.607,487 0.244,488 0.03,490 0.394,496 0.685,497 1.12,498 0.645,499 0.83,500 0.504,501 0.78,502 0.459,503 0.985,504 0.717,505 0.879,506 0.483,507 0.862,508 0.76,509 1.116,510 1.012,511 1.08,512 0.72,513 0.938,514 0.83,515 1.211,516 1.166,517 1.288,518 0.79,519 1.011,520 1.286,521 1.156,522 1.07,523 1.003,524 0.929,525 0.926,526 1.495,527 0.913,528 0.864,529 0.736,530 1.176,531 0.9,532 1.963,533 0.746,534 1.071,535 0.78,536 2.536,537 0.999,538 1.64,539 1.033,540 1.502,541 1.294,542 2.182,543 1.293,544 3.5,545 0.016,546 2.444,547 1.889,548 1.334,549 0.869,550 0.483,551 0.258,552 0.079,553 0.027,554 5682,555 14999,556 2.274,557 36.1,558 6,559 2,561 2,562 1,563 2,567 1.662,568 2.19,569 3.057,570 -0.241,571 1,572 1,574 1,577 62.402,578 1.733,579 3.948,580 4.559,581 4.837,582 4.948,583 4.948,584 2.525,585 4.056,586 4.495,587 3.153,588 797.609,589 7.765,590 8525.64,591 1,592 1,593 1,594 1,595 186.117,596 1.192,597 4.481,598 0.13,599 0.004,600 0.061,601 0.047,602 0.036,603 0.028,604 0.018,605 0.012,606 0.005,607 0.003,608 0.344,609 0.33,610 0.88,611 0.393,612 104.395,613 0.007,614 -0.053,615 0.065,616 0.032,617 0.013,618 0.032,619 0.314,620 0.057,621 0.126,622 0.043,623 0.122,624 0.017,625 0.1,626 -0.142,627 0.073,628 -0.013,629 0.115,630 0.062,631 0.181,632 -0.169,633 0.016,634 -0.198,635 0.126,636 -0.048,637 -0.209,638 -0.078,639 -0.12,640 -0.089,641 -0.074,642 -0.051,643 -0.35,644 0.11,645 -0.135,646 0.036,647 -0.109,648 -0.036,649 -0.337,650 0.2,651 -0.192,652 0.104,653 -0.313,654 -0.094,655 -0.369,656 -0.108,657 -0.366,658 -0.187,659 -0.392,660 -0.298,661 1.909,662 5.346,663 0.957,664 16.628,665 1.012,666 1.119,667 3.051,668 9.306,669 0.727,670 3.332,671 3.714,672 4.094,673 4.477,674 4.779,675 4.984,676 5.209,677 5.421,678 5.501,679 5.606,680 4.94,681 0.698,682 323.41,683 3.332,684 4.905,685 5.808,686 6.732,687 7.657,688 8.592,689 9.526,690 10.466,691 11.405,692 12.348,693 13.9,700 1,701 1,703 3,709 4,710 3,713 1,714 7,715 1,716 16,735 36,737 17,739 27,741 40,742 16,743 11,746 1,748 5,749 11,753 1,757 4,760 4,762 12,763 4,767 1,772 1,776 1,779 1,780 1,783 13,784 5,785 1,786 7,787 1,792 5,797 0.4,798 1,809 1,815 2,816 3,819 3,822 1,843 2,845 1,851 23,858 4,860 1,869 1,871 1,874 2.8,877 1,881 10.5,882 6.717,883 4.861,884 2.375,886 3.047,887 1.38,888 1.087,889 2.89,890 11.055,891 3.611,892 4.263,893 4.934,894 5.607,895 6.117,896 6.57,897 7.048,898 7.498,899 7.867,900 8.212,901 0.833,902 40,903 8.517,905 3.829,906 7.659,907 16.479,909 14.439,911 2.159,912 49.667,916 141.253,917 99.24,918 70.021,920 25.145,922 31.278,923 67.962,924 166.398,925 70.021,927 28.149,928 18.952,929 101.249,930 32.686,931 5.634,932 148.989,934 141.253,935 137.983,936 25.145,937 31.278,939 143.581,940 25.145,943 51.278,944 34.143,945 50.234,946 31.278,947 141.253,948 95.166,949 99.24,952 141.253,953 62.192,954 38.824,955 18.011,956 75.379,957 141.253,958 95.166,959 99.24,961 0.59,962 0.359,963 0.213,964 0.122,965 24,966 9,967 0.025,968 1,969 3,970 1.273,971 3.546,972 209.23,973 0.273,974 22,975 104.042,977 1,981 13.381,982 4.967,983 1.978,985 93.39,986 7.159,987 13.141,990 1.685,991 6.691,992 1.381,993 18.011,994 335.659,995 36,1000 12.346,1004 -0.242,1007 36.447,1008 40.282,1009 0.335,1010 0.764,1011 0.882,1012 0.936,1013 0.957,1014 0.957,1015 4.875,1016 1.341,1017 5.808,1018 3.949,1019 4.394,1020 4.949,1021 1.701,1022 6.701,1023 4.292,1024 6.098,1025 1.044,1026 7.407,1027 2.96,1028 4.007,1029 4.796,1030 1.195,1031 7.722,1032 3.858,1033 7.429,1034 1,1035 9.109,1036 2.62,1037 6.052,1038 7.191,1039 2.344,1040 10.911,1041 5.851,1042 8.8,1043 0.763,1044 10.874,1045 2.178,1046 6.538,1047 7.924,1048 2.262,1049 12.802,1050 6.285,1051 10.209,1052 0.447,1053 12.679,1054 2.136,1055 8.039,1056 9.758,1057 3.143,1058 15.506,1059 7.74,1060 11.644,1061 -0.248,1062 14.512,1063 1.208,1064 8.921,1065 10.892,1066 3.301,1067 17.748,1068 8.565,1069 13.1,1070 -0.665,1071 16.366,1072 -0.667,1073 10.218,1074 12.507,1075 4.023,1076 20.3,1077 9.816,1078 3.381,1079 -0.756,1080 18.235,1081 -1.54,1082 11.279,1083 13.826,1084 4.321,1085 22.689,1086 10.818,1087 2.943,1088 12.229,1089 20.116,1090 -2.062,1091 12.503,1092 15.354,1093 4.946,1094 25.195,1095 11.993,1096 2.632,1097 9.872,1098 22.007,1099 4.474,1100 13.642,1101 16.759,1102 5.326,1103 27.645,1104 13.074,1105 2.117,1106 8.611,1107 23.906,1108 3.979,1109 14.845,1110 18.255,1111 5.892,1112 30.14,1113 14.225,1114 2.089,1115 6.848,1116 25.813,1117 3.481,1118 16.019,1119 19.7,1120 6.319,1121 32.616,1122 15.342,1123 1.741,1124 6.514,1125 27.725,1126 2.768,1127 17.218,1128 21.185,1129 6.852,1130 35.111,1131 16.488,1132 1.474,1133 4.647,1134 29.642,1135 2.599,1136 18.409,1137 22.65,1138 7.305,1139 37.6,1140 17.623,1141 5169,1142 8572,1143 18.898,1144 26.176,1145 42.382,1146 43.042,1147 42.617,1148 41.954,1149 41.942,1150 55.208,1151 3.542,1152 127.541,1153 39.777,1154 5.672,1155 5.74,1156 6.869,1157 5.473,1158 5.381,1159 7.474,1160 2.86,1161 19.85,1162 5.205,1163 5.664,1164 1.57,1165 1.594,1166 1.578,1167 1.554,1168 1.553,1169 2.045,1170 0.131,1171 4.724,1172 1.473,1173 4.111,1174 4.145,1175 4.309,1176 4.057,1177 7.43,1178 4.021,1179 3.884,1180 3.921,1181 3.916,1182 3.79,1183 5.067,1184 3.792,1185 3.715,1186 3.773,1187 3.671,1188 3.519,1189 4.82,1190 3.544,1191 3.363,1192 3.412,1193 3.431,1194 3.27,1195 4.54,1196 3.23,1197 3.157,1198 3.189,1199 3.132,1200 2.924,1201 4.019,1202 2.943,1203 3.058,1204 3.142,1205 2.922,1206 2.895,1207 3.81,1208 2.885,1209 2.796,1210 2.869,1211 2.668,1212 2.64,1213 3.683,1214 2.641,1215 2.707,1216 2.786,1217 2.604,1218 2.498,1219 3.579,1220 2.509,1221 0.175,1222 0.139,1223 0.262,1224 0.16,1225 0.125,1226 4.727,1227 0.166,1228 3.74,1229 0.06,1230 7.067,1231 0.453,1232 4.329,1233 0.119,1234 3.381,1235 4.474,1236 1.629,1237 12.229,1238 3.205,1239 1.861,1240 1.825,1241 2.032,1242 1.983,1243 1.396,1244 1.997,1245 1.835,1246 1.798,1247 1.939,1248 1.965,1249 0.972,1250 1.959,1251 1.661,1252 1.632,1253 1.68,1254 1.871,1255 0.91,1256 1.838,1257 1.201,1258 1.149,1259 1.427,1260 1.432,1261 0.695,1262 1.407,1263 1.138,1264 1.106,1265 1.288,1266 1.307,1267 0.548,1268 1.343,1269 1.052,1270 0.994,1271 1.209,1272 1.207,1273 0.295,1274 1.237,1275 0.831,1276 0.791,1277 1.008,1278 1.066,1279 0.031,1280 1.043,1281 0.737,1282 0.658,1283 0.883,1284 0.988,1286 1.005,1287 4.007,1289 5.371,1290 3.045,1291 6.94,1292 5.476,1293 8.606,1294 7.67,1295 10.324,1303 4.542,1305 2.963,1314 25.116,1315 62.402,1316 142.117,1317 164.117,1318 174.117,1319 178.117,1320 178.117,1321 27.617,1322 8.008,1323 75.94,1324 104.18,1325 28,1326 12.842,1327 4.17,1328 3.322,1329 28.459,1330 68,1331 71,1332 0.213,1333 152.96,1334 252.04,1335 364.983,1336 31840,1338 15.389,1339 0.669,1340 0.568,1341 15.742,1342 13.06,1343 11.31,1344 0.419,1345 0.313,1346 7.621,1347 10.464,1348 7.443,1349 6.095,1350 11.718,1351 8.464,1352 10.452,1353 0.261,1354 0.172,1355 11.094,1356 6.863,1357 9.528,1358 0.161,1359 0.094,1360 10.304,1361 5.542,1362 8.736,1363 0.1,1364 0.052,1365 9.72,1366 4.548,1367 7.453,1368 0.063,1369 0.029,1370 8.383,1371 3.453,1372 0.318,1373 74.78,1374 0.23,1375 21.917,1376 0.632,1377 134,1378 379.509,1379 172.967,1380 390.833,1381 552.89,1382 368,1383 166,1384 414.433,1385 203.617,1386 431.741,1387 647.98,1388 409,1389 5.1}
{0 CHEMBL1970879,1 1.558,2 17.304,3 3.775,4 14.253,5 177.706,6 7.316,7 0.5,8 4.553,9 4.684,10 4.114,11 4.052,12 5.618,13 4.042,14 5.127,15 5.317,16 4.51,17 4.481,18 6.135,19 4.453,20 5.399,21 5.611,22 4.624,23 4.678,24 6.379,25 4.622,26 5.536,27 5.758,28 4.618,29 4.749,30 6.529,31 4.664,32 5.607,33 5.867,34 4.535,35 4.728,36 6.554,37 4.619,38 5.511,39 5.768,40 4.519,41 4.657,42 6.44,43 4.562,44 5.442,45 5.679,46 4.496,47 4.615,48 6.417,49 4.533,50 5.435,51 5.672,52 4.447,53 4.602,54 6.407,55 4.511,56 0.065,57 1.354,58 18.125,59 7.221,60 13.867,61 10.019,62 0.459,63 2.207,64 35.689,65 12.018,66 39.076,67 17.402,68 0.633,69 2.736,70 48.385,71 15.982,72 57.304,73 23.28,74 0.623,75 2.996,76 56.303,77 19.123,78 77.459,79 27.59,80 0.937,81 2.985,82 64.02,83 20.379,84 112.015,85 30.386,86 0.699,87 2.785,88 57.358,89 18.416,90 81.447,91 27.593,92 0.773,93 2.646,94 52.748,95 16.641,96 85.467,97 24.539,98 0.734,99 2.598,100 52.47,101 17.087,102 84.23,103 24.702,104 41,105 76,106 0.232,107 0.586,108 0.77,109 0.837,110 0.854,111 0.854,112 3.853,113 0.914,114 -4.6,115 -4.52,116 -4.26,119 40,120 1,121 4,124 2,125 4,127 2,142 8,143 3,144 2,146 1,147 1,148 1,152 2,158 2,161 1,163 1,164 1,165 1,166 1,172 10,174 3,175 15,177 1,178 2,180 2,183 10,185 1,187 3,188 14,191 2,193 3,196 9,199 2,200 13,202 3,203 3,205 3,208 4,210 1,212 4,213 16,218 4,221 5,223 2,224 3,225 12,228 1,230 6,233 9,235 3,237 3,238 7,240 1,241 2,243 2,246 13,248 2,249 2,250 8,253 2,254 1,257 1,258 11,263 4,264 8,266 1,267 1,269 2,272 7,276 5178,277 31.386,278 31.386,279 31.386,280 31.386,281 31.386,282 28.071,283 35.77,284 17.972,285 32.119,286 25.564,287 25.564,288 25.564,289 25.564,290 25.564,291 20.381,292 42.239,293 8.373,294 26.652,295 4.852,296 2.467,297 1.227,298 0.78,299 0.662,300 0.662,301 4.571,307 1773,308 4,311 222.363,312 727.312,315 424.832,319 3.07,320 43.725,323 0.5,324 0.5,325 0.67,326 0.6,327 0.5,328 0.67,329 1,330 0.63,331 99.5,332 796,333 4.764,334 3.67,335 7.051,336 4.312,337 3.349,338 4.733,339 1.94,340 12.147,341 3.227,342 4.647,343 3.629,344 6.781,345 4.184,346 3.219,347 4.587,348 1.058,349 11.062,350 3.107,351 4.277,352 3.392,353 6.299,354 3.89,355 2.933,356 3.926,357 0.86,358 9.518,359 2.811,360 3.972,361 3.119,362 6.181,363 3.84,364 2.891,365 3.32,366 0.8,367 9.152,368 2.742,369 3.903,370 3.092,371 6.123,372 3.66,373 2.698,374 3.239,375 0.555,376 8.904,377 2.59,378 3.855,379 2.997,380 5.893,381 3.526,382 2.565,383 3.092,385 8.071,386 2.48,387 3.721,388 2.752,389 5.883,390 3.456,391 2.473,392 3.06,394 7.998,395 2.404,396 3.682,397 2.424,398 5.736,399 3.282,400 2.318,401 2.797,403 7.552,404 2.227,405 3.264,406 2.294,407 5.07,408 2.893,409 1.942,410 2.559,412 5.666,413 1.842,414 3.174,415 2.068,416 4.995,417 2.801,418 1.843,419 2.298,421 5.379,422 1.758,423 3.037,424 1.979,425 4.574,426 2.578,427 1.604,428 2.266,430 4.538,431 1.556,432 2.991,433 1.94,434 4.468,435 2.565,436 1.601,437 2.204,439 4.368,440 1.543,441 2.882,442 1.641,443 4.406,444 2.467,445 1.523,446 2.025,448 4.027,449 1.432,450 2.788,451 1.589,452 4.139,453 2.427,454 1.444,455 1.796,457 3.456,458 1.408,459 2.634,460 1.532,461 4.123,462 2.149,463 1.171,464 1.648,466 3.147,467 1.135,468 21.6,469 0.47,470 1.199,471 0.026,472 58.25,473 1.266,474 26.5,475 0.576,476 31.75,477 0.69,478 48.859,479 1.062,480 49.8,481 0.586,482 52.338,483 1.138,484 11.208,485 0.244,486 11.109,487 0.241,488 0.119,490 0.398,496 0.796,497 1.46,498 0.788,499 1.159,500 0.626,501 0.995,502 0.926,503 1.119,504 0.84,505 0.915,506 0.537,507 0.864,508 1.003,509 1.063,510 0.971,511 0.975,512 0.85,513 0.962,514 1.023,515 1.141,516 1.077,517 1.159,518 1.001,519 1.132,520 0.962,521 0.942,522 0.978,523 0.944,524 1.014,525 0.96,526 0.878,527 0.992,528 0.905,529 0.959,530 0.859,531 0.935,532 1.081,533 0.995,534 1.03,535 0.983,536 1.05,537 0.992,538 1.147,539 0.986,540 1.08,541 1.033,542 0.959,543 1.047,544 8.5,545 0.378,546 6.444,547 4.056,548 3.118,549 1.924,550 1.358,551 0.994,552 0.602,553 0.519,554 42662,555 102849,556 2.141,557 45.9,559 24,561 1,562 3,563 3,564 8,567 1.832,568 2,569 4.019,570 0.712,577 132.41,578 1.558,579 3.943,580 5.183,581 5.63,582 5.747,583 5.747,584 3.537,585 5.306,586 5.488,587 4.249,588 4398.04,589 9.734,590 85205.2,595 544.798,596 1.422,597 5.454,598 0.163,599 0.007,600 0.085,601 0.049,602 0.039,603 0.027,604 0.019,605 0.014,606 0.009,607 0.009,608 0.421,609 0.17,610 0.63,611 0.7,612 272.209,613 -0.01,614 -0.209,615 0.073,616 -0.075,617 -0.025,618 -0.003,619 0.029,620 0.033,621 0.095,622 0.092,623 0.094,624 0.101,625 -0.034,626 0.03,627 -0.016,628 0.021,629 0.005,630 0.009,631 -0.056,632 -0.099,633 -0.114,634 -0.155,635 -0.021,636 -0.147,637 0.016,638 0.012,639 0.021,640 0.038,641 0.017,642 0.034,643 0.033,644 -0.015,645 0.084,646 0.024,647 0.009,648 0.059,649 -0.028,650 0.022,651 -0.041,652 -0.006,653 -0.09,654 -0.021,655 -0.072,656 0.015,657 -0.09,658 -0.046,659 -0.064,660 -0.068,661 1.895,662 6.336,663 0.783,664 71.75,665 1.002,666 1.133,667 3.372,668 11.372,669 0.657,670 3.97,671 4.344,672 4.691,673 4.997,674 5.263,675 5.421,676 5.613,677 5.784,678 5.938,679 6.12,680 9.93,681 0.626,682 621.82,683 3.97,684 5.549,685 6.438,686 7.344,687 8.248,688 9.16,689 10.071,690 10.986,691 11.9,692 12.818,693 10.6,696 1,697 1,700 2,701 2,703 3,708 4,709 9,710 3,714 6,715 2,716 26,723 1,727 1,733 1,735 85,737 28,738 2,739 52,741 91,742 34,743 19,744 5,745 7,746 1,748 7,749 9,754 1,757 6,760 6,762 21,763 13,767 2,772 2,776 2,783 39,784 10,785 3,786 12,792 9,797 0.714,798 3,807 1,810 1,811 1,815 2,816 5,819 2,830 1,839 1,843 5,847 3,851 46,852 1,858 8,860 1,861 1,863 2,864 2,874 3.5,877 2,879 1,881 23,882 16.15,883 9.944,884 5.222,886 5.103,887 1.524,888 1.011,889 8.447,890 14.848,891 4.22,892 4.86,893 5.509,894 6.148,895 6.704,896 7.106,897 7.556,898 8.016,899 8.307,900 8.679,901 0.917,902 83,903 17.085,905 7.458,906 7.667,907 33.028,909 28.161,911 2.167,912 99.667,916 423.76,917 168.536,918 111.066,920 61.29,923 168.536,924 485.049,925 111.066,926 28.105,927 39.696,928 108.707,929 123.42,930 45.507,931 7.229,932 411.989,934 423.76,935 279.602,936 61.29,939 329.591,940 155.459,943 68.412,944 160.956,945 50.234,947 423.76,948 172.356,949 168.536,952 423.76,953 56.003,954 122.458,955 18.011,956 144.421,957 423.76,958 172.356,959 168.536,961 0.592,962 0.363,963 0.199,964 0.109,965 39,966 18,967 0.066,968 6,969 2,970 1.111,971 5.381,972 511.569,973 0.111,974 36,975 237.329,981 30.668,982 12.67,983 5.778,984 3.409,985 168.68,986 16.885,987 14.009,991 3.456,992 3.907,993 50.908,994 764.652,995 67,1000 25.095,1004 -0.072,1007 85.152,1008 96.341,1009 0.243,1010 0.615,1011 0.809,1012 0.878,1013 0.897,1014 0.897,1015 5.495,1016 2.318,1017 6.444,1018 7.998,1019 5.03,1020 5.549,1021 2.515,1022 7.315,1023 4.952,1024 6.715,1025 1.942,1026 8.043,1027 7.552,1028 4.691,1029 5.472,1030 1.738,1031 8.326,1032 4.573,1033 8.045,1034 1.843,1035 9.741,1036 5.666,1037 6.686,1038 7.812,1039 3.157,1040 11.46,1041 6.53,1042 9.411,1043 1.604,1044 11.497,1045 5.379,1046 7.179,1047 8.61,1048 3.144,1049 13.304,1050 6.979,1051 10.813,1052 1.601,1053 13.29,1054 4.538,1055 8.645,1056 10.443,1057 4.192,1058 15.963,1059 8.412,1060 12.241,1061 1.523,1062 15.109,1063 4.368,1064 9.506,1065 11.646,1066 4.541,1067 18.152,1068 9.23,1069 13.689,1070 1.444,1071 16.946,1072 4.027,1073 10.774,1074 13.29,1075 5.4,1076 20.663,1077 10.466,1078 3.349,1079 1.171,1080 18.796,1081 3.456,1082 11.803,1083 14.678,1084 5.912,1085 23.004,1086 11.453,1087 3.219,1088 12.147,1089 20.659,1090 3.147,1091 12.999,1092 16.251,1093 6.675,1094 25.473,1095 12.616,1096 2.933,1097 11.062,1098 22.53,1099 4.733,1100 14.105,1101 17.722,1102 7.263,1103 27.883,1104 13.682,1105 2.891,1106 9.518,1107 24.409,1108 4.587,1109 15.28,1110 19.27,1111 7.978,1112 30.346,1113 14.822,1114 2.698,1115 9.152,1116 26.295,1117 3.926,1118 16.422,1119 20.779,1120 8.602,1121 32.79,1122 15.927,1123 2.565,1124 8.904,1125 28.187,1126 3.32,1127 17.593,1128 22.319,1129 9.292,1130 35.256,1131 17.063,1132 2.473,1133 8.071,1134 30.084,1135 3.239,1136 18.754,1137 23.845,1138 9.936,1139 37.718,1140 18.188,1141 38986,1142 60788,1143 35.024,1144 55.836,1145 80.279,1146 81.948,1147 83.078,1148 79.66,1149 79.633,1150 102.007,1151 10.428,1152 239.838,1153 76.577,1154 5.764,1155 5.67,1156 6.732,1157 5.386,1158 5.349,1159 7.733,1160 3.348,1161 19.687,1162 5.227,1163 23.913,1164 1.544,1165 1.576,1166 1.598,1167 1.532,1168 1.531,1169 1.962,1170 0.201,1171 4.612,1172 1.473,1173 4.174,1174 4.216,1175 4.145,1176 4.063,1177 7.431,1178 4.075,1179 4.115,1180 4.154,1181 4.087,1182 3.993,1183 7.427,1184 4.012,1185 3.917,1186 3.976,1187 3.832,1188 3.791,1189 5.257,1190 3.794,1191 3.859,1192 3.894,1193 3.799,1194 3.711,1195 4.927,1196 3.727,1197 3.729,1198 3.788,1199 3.62,1200 3.557,1201 4.89,1202 3.564,1203 3.527,1204 3.568,1205 3.46,1206 3.386,1207 4.798,1208 3.398,1209 3.431,1210 3.494,1211 3.329,1212 3.204,1213 4.511,1214 3.219,1215 3.31,1216 3.388,1217 3.216,1218 3.063,1219 4.385,1220 3.095,1221 0.092,1222 0.071,1223 0.136,1224 0.083,1225 0.064,1226 4.764,1227 0.091,1228 3.67,1229 0.037,1230 7.051,1231 0.234,1232 4.312,1233 0.062,1234 3.349,1235 4.733,1236 1.94,1237 12.147,1238 3.227,1239 1.939,1240 1.917,1241 2.106,1242 2.103,1243 1.509,1244 2.104,1245 1.933,1246 1.907,1247 2.033,1248 2.042,1249 1.258,1250 2.031,1251 1.917,1252 1.864,1253 2.003,1254 2.021,1255 1.153,1256 2.022,1257 1.773,1258 1.724,1259 1.94,1260 1.986,1261 1.14,1262 1.97,1263 1.702,1264 1.645,1265 1.809,1266 1.895,1267 0.917,1268 1.882,1269 1.623,1270 1.582,1271 1.76,1272 1.811,1273 0.869,1274 1.799,1275 1.39,1276 1.329,1277 1.665,1278 1.652,1279 0.825,1280 1.647,1281 1.282,1282 1.217,1283 1.572,1284 1.553,1285 0.825,1286 1.55,1287 4.654,1289 6.014,1290 3.045,1291 7.571,1292 5.533,1293 9.214,1294 7.751,1295 10.901,1297 5.114,1301 6.436,1303 7.505,1305 3.02,1306 5.743,1308 0.689,1309 4.471,1314 53.239,1315 132.41,1316 335.132,1317 440.534,1318 478.534,1319 488.534,1320 488.534,1321 84.897,1322 9.745,1323 136.43,1324 136.43,1325 40,1326 13.329,1327 4.858,1328 4,1329 64.486,1330 268,1331 309,1332 0.113,1333 320.238,1334 546.79,1335 773.14,1336 310158,1338 31.949,1339 0.695,1340 0.575,1341 31.949,1342 26.44,1343 22.317,1344 0.429,1345 0.305,1346 15.592,1347 21.339,1348 15.208,1349 12.531,1350 22.317,1351 15.845,1352 20.488,1353 0.27,1354 0.161,1355 20.488,1356 12.272,1357 18.394,1358 0.17,1359 0.09,1360 18.394,1361 9.714,1362 15.812,1363 0.108,1364 0.049,1365 15.812,1366 7.157,1367 12.998,1368 0.068,1369 0.027,1370 12.998,1371 5.112,1372 0.181,1373 140.494,1374 0.169,1375 40.464,1376 0.3,1377 256,1378 698.367,1379 282.041,1380 673.96,1381 940.56,1382 634,1383 312,1384 715.815,1385 340.459,1386 722.079,1387 1066.95,1388 680,1389 5.8}
{0 CHEMBL1970903,1 1.47,2 12.733,3 3.506,4 12.29,5 118.181,6 7.5,7 0.765,8 4.084,9 4.209,10 3.668,11 3.66,12 5.193,13 3.641,14 4.588,15 4.746,16 4.023,17 4.064,18 5.621,19 4.026,20 4.818,21 5.012,22 4.032,23 4.171,24 5.83,25 4.093,26 4.904,27 5.142,28 3.899,29 4.137,30 5.807,31 4.026,32 4.807,33 5.047,34 3.828,35 4.036,36 5.733,37 3.926,38 4.781,39 5.017,40 3.797,41 3.965,42 5.756,43 3.866,44 4.723,45 4.979,46 3.697,47 3.872,48 5.66,49 3.768,50 4.578,51 4.823,52 3.616,53 3.777,54 5.528,55 3.676,56 0.074,57 0.805,58 10.661,59 4.55,60 12.665,61 5.951,62 0.119,63 1.27,64 19.038,65 7.775,66 18.803,67 10.311,68 0.297,69 1.525,70 25.659,71 9.928,72 35.188,73 13.486,74 0.273,75 1.596,76 29.978,77 11.001,78 36.287,79 15.287,80 0.21,81 1.454,82 27.045,83 10.186,84 33.867,85 14.291,86 0.309,87 1.405,88 26.668,89 9.419,90 40.227,91 13.071,92 0.296,93 1.313,94 25.957,95 8.967,96 38.081,97 12.57,98 0.282,99 1.127,100 22.071,101 7.943,102 32.75,103 11.183,104 5,105 48,106 0.24,107 0.627,108 0.815,109 0.895,110 0.901,111 0.901,112 3.44,113 0.883,114 -3.16,115 -3.16,116 -3.03,119 45.3,120 1,121 1,125 1,127 1,142 8,143 5,144 1,145 2,146 1,151 1,152 2,163 1,164 1,165 1,168 1,172 12,175 4,180 6,183 14,185 1,187 1,188 7,190 1,191 1,193 6,196 12,198 1,200 5,205 4,208 7,210 1,213 6,217 1,218 3,220 1,221 4,223 2,225 5,227 1,228 2,230 4,233 3,235 3,237 1,238 4,241 1,243 2,246 3,248 2,249 1,250 3,253 1,255 3,258 5,260 2,264 1,267 1,269 3,272 8,274 2,276 1490,277 20.67,278 20.67,279 20.67,280 20.67,281 20.67,282 17.671,283 11.017,284 12.143,285 21.002,286 16.807,287 16.807,288 16.807,289 16.807,290 16.807,291 12.33,292 9.41,293 5.785,294 17.333,295 4.258,296 1.888,297 0.731,298 0.241,299 0.203,300 0.203,301 4.153,305 1,306 1,307 862,308 3.24,311 143.259,312 261.777,315 255.999,319 1.969,320 18.519,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 63.5,332 382,333 4.558,334 3.164,335 6.533,336 4.089,337 3.103,338 4.51,339 0.86,340 10.301,341 3.059,342 4.527,343 3.145,344 6.522,345 4.058,346 3.072,347 4.474,349 10.231,350 3.03,351 4.184,352 2.96,353 6.117,354 3.777,355 2.8,356 3.816,358 8.979,359 2.739,360 3.694,361 2.654,362 5.356,363 3.388,364 2.436,365 3.099,367 6.937,368 2.318,369 3.509,370 2.424,371 5.248,372 3.215,373 2.25,374 2.806,376 6.545,377 2.159,378 3.308,379 2.029,380 4.952,381 2.857,382 1.886,383 2.647,385 5.415,386 1.828,387 3.141,388 1.965,389 4.799,390 2.813,391 1.834,392 2.319,394 5.207,395 1.792,396 3.045,397 1.596,398 4.357,399 2.518,400 1.546,401 2.267,403 4.157,404 1.501,405 2.951,406 1.546,407 4.146,408 2.468,409 1.509,410 2.117,412 3.709,413 1.443,414 2.706,415 1.283,416 4.01,417 2.196,418 1.236,419 1.801,421 3.176,422 1.184,423 2.617,424 1.209,425 3.582,426 2.142,427 1.154,428 1.669,430 2.748,431 1.139,432 2.571,433 1.109,434 3.489,435 2.041,436 1.084,437 1.605,439 2.545,440 1.034,441 2.111,442 0.988,443 3.227,444 1.644,445 0.689,446 0.94,448 1.614,449 0.65,450 2.086,451 0.714,452 3.205,453 1.625,454 0.651,455 0.92,457 1.543,458 0.637,459 1.687,460 0.676,461 3.019,462 1.402,463 0.497,464 0.585,466 1.149,467 0.447,468 14.333,469 0.478,470 0.674,471 0.022,472 41.75,473 1.392,474 22.5,475 0.75,476 19.25,477 0.642,478 23.121,479 0.771,480 30.667,481 0.579,482 29.739,483 0.991,484 8.309,485 0.277,486 6.36,487 0.212,488 0.063,490 0.349,496 0.947,497 1.03,498 0.795,499 0.906,500 1.069,501 0.84,502 1.135,503 1.112,504 0.876,505 0.972,506 0.958,507 0.91,508 1.096,509 1.065,510 1.064,511 1.073,512 1.031,513 1.072,514 1.208,515 1.014,516 1.083,517 1.036,518 1.061,519 1.047,520 0.946,521 1.065,522 0.997,523 1.097,524 0.97,525 1.063,526 1.273,527 1.06,528 1.078,529 1.078,530 1.257,531 1.064,532 1.26,533 0.923,534 0.989,535 0.945,536 1.193,537 0.941,538 1.016,539 0.957,540 0.926,541 0.956,542 0.963,543 0.94,544 5.5,545 0.166,546 3.556,547 1.896,548 1.208,549 0.906,550 0.412,551 0.392,552 0.218,553 0.139,554 14270,555 33710,556 2.186,557 43.4,559 11,560 1,561 2,562 4,563 3,564 2,567 1.723,568 2.093,569 3.63,570 1.564,572 1,577 77.889,578 1.47,579 3.84,580 4.997,581 5.487,582 5.525,583 5.525,584 3.07,585 4.774,586 4.884,587 3.831,588 1666.43,589 8.484,590 24137.8,592 1,594 1,595 303.58,596 1.231,597 4.859,598 0.162,599 0.007,600 0.074,601 0.041,602 0.031,603 0.025,604 0.012,605 0.013,606 0.008,607 0.005,608 0.377,609 0.17,610 0.88,611 0.424,612 156.872,613 -0.015,614 0.106,615 0.047,616 0.071,617 -0.135,618 0.07,619 -0.101,620 -0.05,621 0.017,622 0.016,623 -0.058,624 0.029,625 0.008,626 -0.051,627 -0.123,628 -0.089,629 -0.003,630 -0.117,631 -0.136,632 -0.053,633 -0.092,634 -0.051,635 -0.118,636 -0.063,637 0.012,638 -0.11,639 -0.011,640 -0.106,641 0.054,642 -0.068,643 0.002,644 -0.092,645 -0.066,646 -0.111,647 -0.012,648 -0.099,649 -0.012,650 0.029,651 0.046,652 0.023,653 -0.012,654 0.038,655 0.153,656 -0.015,657 0.091,658 0.03,659 0.137,660 0.05,661 1.446,662 2.471,663 0.8,664 29.467,665 0.996,666 1.121,667 1.933,668 3.736,669 0.686,670 3.555,671 3.892,672 4.19,673 4.466,674 4.654,675 4.691,676 4.828,677 4.927,678 4.905,679 4.97,680 7.665,681 0.652,682 397.52,683 3.555,684 5.106,685 5.969,686 6.851,687 7.727,688 8.612,689 9.492,690 10.378,691 11.26,692 12.146,693 9.4,694 1,701 2,703 2,708 4,709 11,710 2,711 2,714 5,716 26,733 1,735 53,737 26,738 2,739 34,741 57,742 24,743 20,744 5,745 7,748 5,749 7,754 1,760 2,762 20,763 4,780 1,783 23,784 4,785 4,786 6,792 5,797 0.6,798 1,807 1,809 1,811 1,815 2,816 3,819 2,836 1,843 3,847 1,851 30,852 1,858 2,861 1,863 1,874 1.9,879 1,881 14.333,882 9.65,883 6.472,884 3.06,886 5.069,887 1.624,888 1.049,889 4.991,890 13.196,891 3.871,892 4.543,893 5.209,894 5.85,895 6.36,896 6.668,897 7.117,898 7.522,899 7.636,900 7.958,901 1,902 46,903 11.044,905 4.731,906 7.561,907 21.41,909 17.959,911 2.061,912 61.833,914 1,915 1,916 223.651,917 145.895,918 99.794,920 11,923 145.895,924 234.651,925 99.794,926 8.825,927 40.024,928 84.857,929 56.991,930 84.633,931 16.672,932 188.338,934 223.651,935 245.69,936 11,939 200.109,940 34.542,943 102.537,944 109.704,945 33.449,947 223.651,948 110.794,949 145.895,952 223.651,953 34.118,954 111.777,955 33.449,956 77.346,957 223.651,958 110.794,959 145.895,961 0.585,962 0.346,963 0.191,964 0.101,965 25,966 10,967 0.105,968 6,969 2,970 1.167,971 4.335,972 268.998,973 0.167,974 24,975 147.207,981 18.859,982 7.94,983 3.852,984 4.406,985 77.346,986 22.032,987 8.639,988 6.316,991 5.048,993 66.346,994 480.341,995 47,1007 52.789,1008 59.438,1009 0.257,1010 0.67,1011 0.872,1012 0.958,1013 0.965,1014 0.965,1015 5.097,1016 1.546,1017 5.948,1018 5.207,1019 4.575,1020 5.231,1021 0.908,1022 6.758,1023 4.519,1024 6.32,1025 1.509,1026 7.503,1027 4.157,1028 4.111,1029 5.047,1031 7.636,1032 4.05,1033 7.636,1034 1.236,1035 9.156,1036 3.709,1037 6.168,1038 7.533,1039 0.739,1040 10.739,1041 6.072,1042 8.992,1043 1.154,1044 10.869,1045 3.176,1046 6.553,1047 8.245,1049 12.473,1050 6.455,1051 10.382,1052 1.084,1053 12.62,1054 2.748,1055 8.05,1056 10.157,1057 0.593,1058 15.067,1059 7.926,1060 11.798,1061 0.689,1062 14.398,1063 2.545,1064 8.827,1065 11.291,1067 17.146,1068 8.7,1069 13.234,1070 0.651,1071 16.196,1072 1.614,1073 10.096,1074 12.963,1075 0.469,1076 19.564,1077 9.95,1078 3.103,1079 0.497,1080 18.009,1081 1.543,1082 11.058,1083 14.295,1085 21.784,1086 10.904,1087 3.072,1088 10.301,1089 19.834,1090 1.149,1091 12.233,1092 15.865,1093 0.366,1094 24.139,1095 12.064,1096 2.8,1097 10.231,1098 21.667,1099 4.51,1100 13.278,1101 17.287,1103 26.417,1104 13.1,1105 2.436,1106 8.979,1107 23.507,1108 4.474,1109 14.416,1110 18.814,1111 0.283,1112 28.749,1113 14.224,1114 2.25,1115 6.937,1116 25.352,1117 3.816,1118 15.501,1119 20.278,1121 31.052,1122 15.298,1123 1.886,1124 6.545,1125 27.202,1126 3.099,1127 16.625,1128 21.787,1129 0.217,1130 33.377,1131 16.409,1132 1.834,1133 5.415,1134 29.056,1135 2.806,1136 17.728,1137 23.27,1139 35.691,1140 17.5,1141 12943,1142 20032,1143 23.463,1144 36.336,1145 51.918,1146 51.851,1147 52.417,1148 51.436,1149 51.491,1150 71.153,1151 1.72,1152 148.511,1153 49.917,1154 5.46,1155 5.164,1156 6.215,1157 5.157,1158 5.103,1159 7.51,1160 1.72,1161 17.025,1162 5.059,1163 10.221,1164 1.527,1165 1.525,1166 1.542,1167 1.513,1168 1.514,1169 2.093,1170 0.051,1171 4.368,1172 1.468,1173 4.144,1174 4.179,1175 4.102,1176 4.058,1177 5.099,1178 4.064,1179 4.104,1180 4.14,1181 4.066,1182 4.019,1183 5.034,1184 4.026,1185 3.851,1186 3.887,1187 3.805,1188 3.719,1189 4.945,1190 3.735,1191 3.625,1192 3.689,1193 3.503,1194 3.482,1195 4.907,1196 3.478,1197 3.414,1198 3.472,1199 3.318,1200 3.267,1201 4.399,1202 3.271,1203 3.36,1204 3.429,1205 3.244,1206 3.196,1207 4.305,1208 3.199,1209 3.053,1210 3.129,1211 2.926,1212 2.888,1213 4.293,1214 2.891,1215 2.984,1216 3.062,1217 2.852,1218 2.821,1219 3.905,1220 2.818,1221 0.134,1222 0.093,1223 0.192,1224 0.12,1225 0.091,1226 4.558,1227 0.133,1228 3.164,1229 0.025,1230 6.533,1231 0.303,1232 4.089,1233 0.09,1234 3.103,1235 4.51,1236 0.86,1237 10.301,1238 3.059,1239 1.988,1240 1.969,1241 2.063,1242 2.061,1243 1.259,1244 2.062,1245 1.941,1246 1.918,1247 2.041,1248 2.019,1249 1.213,1250 2.027,1251 1.746,1252 1.715,1253 1.893,1254 1.907,1255 1.071,1256 1.905,1257 1.669,1258 1.617,1259 1.816,1260 1.825,1261 0.912,1262 1.826,1263 1.492,1264 1.418,1265 1.702,1266 1.767,1267 0.739,1268 1.743,1269 1.372,1270 1.305,1271 1.573,1272 1.616,1273 0.684,1274 1.61,1275 1.056,1276 1.005,1277 1.286,1278 1.29,1279 0.389,1280 1.293,1281 1.006,1282 0.948,1283 1.232,1284 1.241,1285 0.251,1286 1.257,1287 4.234,1289 5.565,1290 3.045,1291 7.083,1292 5.416,1293 8.684,1294 7.506,1295 10.331,1297 2.02,1301 6.35,1303 1.165,1306 5.971,1308 -0.113,1314 34.563,1315 77.889,1316 203.526,1317 264.825,1318 290.825,1319 292.825,1320 292.825,1321 39.048,1322 8.128,1323 92.61,1324 92.61,1325 28,1326 12.679,1327 4.755,1328 3.807,1329 41.895,1330 140,1331 120,1332 0.142,1333 209.786,1334 342.21,1335 503.638,1336 46854,1338 20.501,1339 0.683,1340 0.557,1341 20.501,1342 16.722,1343 14.67,1344 0.431,1345 0.294,1346 9.897,1347 14.232,1348 9.644,1349 8.005,1350 14.67,1351 10.007,1352 13.308,1353 0.277,1354 0.159,1355 13.308,1356 7.625,1357 11.557,1358 0.178,1359 0.083,1360 11.557,1361 5.412,1362 9.805,1363 0.114,1364 0.044,1365 9.805,1366 3.819,1367 7.897,1368 0.076,1369 0.025,1370 7.897,1371 2.559,1372 0.23,1373 91.078,1374 0.206,1375 28.836,1376 0.371,1377 164,1378 413.004,1379 175.12,1380 410.731,1381 581.45,1382 388,1383 195,1384 446.624,1385 207.175,1386 457.162,1387 666.4,1388 431,1389 7.3}
{0 CHEMBL1970913,1 1.588,2 8.435,3 3.159,4 9.979,5 86.763,6 7.57,7 0.6,8 3.812,9 3.936,10 3.392,11 3.346,12 4.947,13 3.332,14 4.336,15 4.515,16 3.759,17 3.71,18 5.457,19 3.677,20 4.564,21 4.782,22 3.836,23 3.766,24 5.751,25 3.743,26 4.509,27 4.713,28 3.795,29 3.706,30 5.77,31 3.698,32 4.42,33 4.608,34 3.734,35 3.676,36 5.658,37 3.661,38 4.437,39 4.628,40 3.661,41 3.68,42 5.647,43 3.643,44 4.432,45 4.639,46 3.517,47 3.641,48 5.693,49 3.568,50 4.436,51 4.661,52 3.245,53 3.57,54 5.55,55 3.441,56 0.051,57 0.629,58 7.969,59 3.551,60 6.274,61 4.673,62 0.21,63 0.988,64 15.229,65 5.913,66 20.869,67 8.256,68 0.369,69 1.142,70 21.341,71 6.56,72 52.822,73 9.313,74 0.437,75 1.088,76 19.98,77 5.509,78 56.3,79 7.773,80 0.342,81 1.016,82 17.549,83 5.244,84 39.071,85 7.315,86 0.296,87 1.016,88 17.807,89 5.589,90 38.825,91 7.693,92 0.329,93 0.954,94 18.222,95 6.13,96 57.62,97 8.413,98 0.28,99 0.87,100 19.234,101 6.979,102 51.039,103 9.327,104 27,105 35,106 0.278,107 0.612,108 0.762,109 0.863,110 0.871,111 0.871,112 3.19,113 0.93,114 -4.26,115 -4.19,116 -3.96,119 41.5,120 2,121 3,142 5,143 2,146 1,147 1,158 2,161 1,166 1,172 9,174 2,175 8,178 2,180 2,183 7,187 2,188 9,191 1,193 2,196 5,199 2,200 10,203 1,205 2,208 5,212 1,213 9,216 1,218 2,221 5,224 1,225 9,230 3,233 6,237 1,238 7,243 1,246 8,250 6,258 9,264 2,272 7,276 692,277 15.671,278 15.671,279 15.671,280 15.671,281 15.671,282 13.759,283 14.557,284 9.3,285 15.82,286 12.257,287 12.257,288 12.257,289 12.257,290 12.257,291 9.137,292 19.474,293 4.274,294 12.493,295 3.769,296 1.859,297 1.003,298 0.427,299 0.378,300 0.378,301 3.869,304 1,305 1,306 1,307 408,308 3.606,311 39.572,312 94.892,315 67.681,316 79.772,319 1.285,320 26.305,321 1,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 50,332 194,333 4.736,334 3.729,335 6.873,336 4.247,337 3.287,338 4.757,339 1.907,340 11.516,341 3.157,342 4.238,343 3.589,344 6.129,345 3.756,346 2.773,347 4.037,348 1.886,349 8.993,350 2.723,351 3.842,352 3.121,353 5.893,354 3.506,355 2.522,356 3.205,357 0.149,358 8.053,359 2.474,360 3.596,361 2.697,362 5.232,363 3.247,364 2.229,365 2.821,367 6.312,368 2.257,369 3.277,370 2.069,371 4.874,372 2.78,373 1.817,374 2.585,376 5.331,377 1.742,378 3.019,379 1.657,380 4.494,381 2.548,382 1.567,383 2.24,385 4.429,386 1.534,387 2.867,388 1.494,389 4.159,390 2.379,391 1.394,392 2.028,394 3.284,395 1.37,396 2.664,397 1.353,398 3.618,399 2.203,400 1.204,401 1.69,403 2.964,404 1.199,405 2.134,406 1.347,407 3.383,408 2.017,409 1.013,410 1.087,412 1.79,413 1.013,414 1.999,415 0.991,416 3.046,417 1.555,418 0.58,419 0.789,421 1.333,422 0.564,423 1.467,424 0.729,425 2.701,426 1.202,427 0.155,428 0.189,430 0.215,431 0.161,432 1.138,433 0.385,434 2.536,435 0.737,436 -0.224,437 -0.272,439 -0.516,440 -0.215,441 1.013,442 -0.032,443 2.462,444 0.489,445 -0.486,446 -0.692,448 -1.009,449 -0.473,450 0.808,451 -0.371,452 2.144,453 0.46,454 -0.569,455 -0.733,457 -1.37,458 -0.57,459 0.638,460 -0.491,461 2,462 0.308,463 -0.705,464 -1.003,466 -1.776,467 -0.718,468 10.767,469 0.468,470 0.537,471 0.023,472 30.25,473 1.315,474 15.5,475 0.674,476 14.75,477 0.641,478 17.636,479 0.767,480 24.633,481 0.601,482 21.746,483 0.945,484 5.699,485 0.248,486 5.435,487 0.236,488 0.155,490 0.362,496 0.617,497 1.29,498 0.75,499 1.098,500 0.538,501 0.968,502 0.47,503 1.227,504 0.708,505 1.071,506 0.532,507 0.958,508 1.114,509 1.056,510 0.811,511 0.827,512 1.098,513 0.775,514 1.419,515 0.994,516 1.001,517 0.78,518 1.297,519 0.797,520 1.301,521 1.102,522 1.043,523 0.92,524 1.202,525 0.917,526 1.332,527 1.14,528 1.176,529 1.067,530 1.164,531 1.073,532 1.112,533 0.986,534 1.195,535 1.126,536 0.945,537 1.149,538 1.296,539 0.975,540 1.276,541 1.21,542 1.463,543 1.252,544 4.5,545 0.021,546 2.667,547 1.764,548 1.637,549 0.997,550 0.62,551 0.405,552 0.189,553 0.092,554 4850,555 13063,556 2.041,557 43.9,558 8,559 5,562 1,563 4,567 1.665,568 1.89,569 3.06,570 -0.284,571 1,572 1,574 1,577 65.114,578 1.588,579 3.498,580 4.355,581 4.93,582 4.979,583 4.979,584 2.512,585 4.437,586 4.488,587 3.185,588 805.755,589 7.776,590 8950.29,591 1,592 1,594 1,595 219.66,596 1.478,597 4.443,598 0.18,599 0.005,600 0.076,601 0.048,602 0.047,603 0.03,604 0.021,605 0.016,606 0.01,607 0.009,608 0.443,609 0.17,610 1,611 1.642,612 105.372,613 0.027,614 -0.089,615 0.05,616 -0.043,617 -0.035,618 -0.005,619 0.268,620 -0.128,621 0.176,622 -0.06,623 0.072,624 0.014,625 0.003,626 -0.027,627 0.177,628 0.111,629 -0.028,630 0.158,631 -0.108,632 0.094,633 -0.006,634 0.114,635 -0.062,636 0.081,637 -0.105,638 0.01,639 -0.088,640 0.001,641 -0.086,642 -0.028,643 -0.192,644 -0.049,645 -0.23,646 -0.131,647 -0.081,648 -0.169,649 -0.051,650 0.037,651 -0.24,652 -0.158,653 0.128,654 -0.203,655 -0.196,656 -0.08,657 -0.292,658 -0.196,659 -0.144,660 -0.251,661 1.825,662 5.136,663 0.565,664 19.569,665 1.006,666 1.13,667 3.026,668 9.155,669 0.665,670 3.258,671 3.584,672 3.892,673 4.205,674 4.489,675 4.673,676 4.86,677 4.977,678 4.984,679 4.868,680 5.135,681 0.639,682 310.39,683 3.258,684 4.796,685 5.659,686 6.555,687 7.451,688 8.362,689 9.272,690 10.19,691 11.107,692 12.029,693 9.8,700 1,701 1,703 2,708 4,709 5,710 2,714 1,715 1,716 15,735 41,737 17,738 1,739 25,741 43,742 17,743 10,744 2,745 4,746 1,748 3,749 6,754 2,760 3,762 12,763 5,767 2,772 2,776 2,779 1,780 1,783 18,784 5,785 1,786 6,792 4,797 0.333,798 2,807 1,809 1,815 1,816 2,819 1,820 1,829 1,843 1,847 2,851 23,858 3,860 1,874 4.9,877 2,881 12.167,882 8.1,883 5.222,884 2.852,886 3.412,887 1.476,888 0.984,889 4.287,890 10.576,891 3.57,892 4.223,893 4.901,894 5.601,895 6.261,896 6.78,897 7.323,898 7.813,899 8.156,900 8.358,901 0.833,902 37,903 8.525,905 3.63,906 7.877,907 16.072,909 12.988,911 2.377,912 54.667,915 1,916 200.109,917 93.378,918 53.236,920 50.29,923 93.378,924 250.399,925 53.236,926 17.65,927 25.614,928 47.381,929 94.863,930 9.067,931 2.328,932 200.109,934 200.109,935 146.614,936 50.29,939 200.109,940 50.29,943 48.901,944 64.264,945 33.449,947 200.109,948 103.526,949 93.378,952 200.109,953 28.346,954 66.808,955 18.011,956 83.738,957 200.109,958 103.526,959 93.378,961 0.571,962 0.341,963 0.19,964 0.109,965 17,966 8,967 0.093,968 4,969 2,970 1.308,971 3.401,972 188.217,973 0.308,974 13,975 104.042,981 15.479,982 6.371,983 2.914,984 2.878,985 101.749,986 9.558,987 8.827,991 0.388,992 1.281,993 18.011,994 397.012,995 34.5,1000 24.039,1004 -0.273,1007 41.247,1008 46.318,1009 0.296,1010 0.653,1011 0.813,1012 0.92,1013 0.929,1014 0.929,1015 4.794,1016 1.204,1017 5.652,1018 3.284,1019 4.263,1020 4.909,1021 2.548,1022 6.503,1023 4.22,1024 6.027,1025 1.013,1026 7.233,1027 2.964,1028 3.892,1029 4.89,1030 2.179,1031 7.476,1032 3.827,1033 7.361,1034 0.58,1035 8.917,1036 1.79,1037 5.883,1038 7.252,1039 3.545,1040 10.618,1041 5.78,1042 8.737,1043 0.155,1044 10.66,1045 1.333,1046 6.347,1047 8.088,1048 3.675,1049 12.436,1050 6.211,1051 10.148,1052 -0.224,1053 12.442,1054 0.215,1055 7.817,1056 9.942,1057 4.689,1058 15.102,1059 7.642,1060 11.584,1061 -0.486,1062 14.251,1063 -0.516,1064 8.668,1065 11.17,1066 5.057,1067 17.275,1068 8.451,1069 13.04,1070 -0.569,1071 16.079,1072 -1.009,1073 9.939,1074 12.83,1075 5.898,1076 19.782,1077 9.682,1078 3.287,1079 -0.705,1080 17.923,1081 -1.37,1082 10.967,1083 14.236,1084 6.392,1085 22.108,1086 10.665,1087 2.773,1088 11.516,1089 19.779,1090 -1.776,1091 12.167,1092 15.821,1093 7.14,1094 24.563,1095 11.823,1096 2.522,1097 8.993,1098 21.645,1099 4.757,1100 13.276,1101 17.306,1102 7.701,1103 26.954,1104 12.885,1105 2.229,1106 8.053,1107 23.519,1108 4.037,1109 14.455,1110 18.866,1111 8.399,1112 29.395,1113 14.021,1114 1.817,1115 6.312,1116 25.4,1117 3.205,1118 15.602,1119 20.387,1120 8.997,1121 31.813,1122 15.122,1123 1.567,1124 5.331,1125 27.287,1126 2.821,1127 16.777,1128 21.938,1129 9.669,1130 34.252,1131 16.253,1132 1.394,1133 4.429,1134 29.179,1135 2.585,1136 17.942,1137 23.476,1138 10.286,1139 36.683,1140 17.373,1141 4889,1142 8154,1143 16.414,1144 27.262,1145 37.321,1146 39.259,1147 39.403,1148 37.147,1149 37.079,1150 50.86,1151 7.884,1152 108.44,1153 36.385,1154 5.585,1155 5.729,1156 6.645,1157 5.297,1158 5.287,1159 7.757,1160 3.306,1161 18.822,1162 5.157,1163 12,1164 1.493,1165 1.57,1166 1.576,1167 1.486,1168 1.483,1169 2.034,1170 0.315,1171 4.338,1172 1.455,1173 4.178,1174 4.215,1175 4.159,1176 4.067,1177 7.431,1178 4.083,1179 3.81,1180 3.851,1181 3.76,1182 3.667,1183 7.426,1184 3.686,1185 3.682,1186 3.737,1187 3.566,1188 3.513,1189 5.102,1190 3.511,1191 3.524,1192 3.584,1193 3.391,1194 3.377,1195 4.685,1196 3.371,1197 3.245,1198 3.315,1199 3.089,1200 2.997,1201 4.166,1202 3.013,1203 3.083,1204 3.146,1205 2.952,1206 2.917,1207 4.081,1208 2.921,1209 2.965,1210 3.029,1211 2.873,1212 2.795,1213 4.003,1214 2.804,1215 2.833,1216 2.9,1217 2.681,1218 2.596,1219 3.908,1220 2.608,1221 0.189,1222 0.149,1223 0.275,1224 0.17,1225 0.131,1226 4.736,1227 0.19,1228 3.729,1229 0.076,1230 6.873,1231 0.461,1232 4.247,1233 0.126,1234 3.287,1235 4.757,1236 1.907,1237 11.516,1238 3.157,1239 2.05,1240 2.027,1241 2.117,1242 2.138,1243 1.242,1244 2.131,1245 1.687,1246 1.632,1247 1.935,1248 1.905,1249 1.174,1250 1.903,1251 1.641,1252 1.592,1253 1.865,1254 1.856,1255 1.026,1256 1.856,1257 1.514,1258 1.472,1259 1.65,1260 1.653,1261 0.772,1262 1.658,1263 1.279,1264 1.197,1265 1.48,1266 1.563,1267 0.551,1268 1.555,1269 1.101,1270 1.034,1271 1.338,1272 1.374,1273 0.353,1274 1.374,1275 0.924,1276 0.863,1277 1.174,1278 1.115,1279 0.224,1280 1.137,1281 0.822,1282 0.766,1283 1.097,1284 1.072,1285 0.169,1286 1.089,1287 3.932,1289 5.252,1290 2.398,1291 6.779,1292 4.844,1293 8.405,1294 7.05,1295 10.09,1297 3.707,1303 1.476,1305 2.787,1314 26.203,1315 65.114,1316 143.421,1317 178.54,1318 202.15,1319 204.15,1320 204.15,1321 42.88,1322 7.165,1323 76.88,1324 76.88,1325 17,1326 12.537,1327 4.17,1328 3.392,1329 36.492,1330 70,1331 83,1332 0.267,1333 163.411,1334 273.34,1335 390.482,1336 10700,1338 16.397,1339 0.713,1340 0.572,1341 16.397,1342 13.166,1343 11.135,1344 0.445,1345 0.31,1346 7.657,1347 10.731,1348 7.456,1349 6.248,1350 11.135,1351 7.752,1352 9.778,1353 0.279,1354 0.153,1355 9.778,1356 5.358,1357 8.358,1358 0.174,1359 0.076,1360 8.358,1361 3.633,1362 7.043,1363 0.107,1364 0.038,1365 7.043,1366 2.48,1367 5.785,1368 0.066,1369 0.019,1370 5.785,1371 1.655,1372 0.4,1373 69.724,1374 0.247,1375 22.055,1376 0.792,1377 120,1378 370.739,1379 133.449,1380 358.182,1381 492.45,1382 334,1383 143,1384 372.214,1385 157.201,1386 371.803,1387 549.73,1388 352,1389 5.1}
{0 CHEMBL1971017,1 1.813,2 7.105,3 2.559,4 6.547,5 72.996,6 9.726,7 0.762,8 3.472,9 3.556,10 3.316,11 3.182,12 4.775,13 3.146,14 3.908,15 4.005,16 3.728,17 3.578,18 5.287,19 3.518,20 4.104,21 4.227,22 3.763,23 3.615,24 5.423,25 3.552,26 4.073,27 4.225,28 3.577,29 3.525,30 5.344,31 3.454,32 4.013,33 4.196,34 3.472,35 3.411,36 5.265,37 3.339,38 3.936,39 4.098,40 3.429,41 3.254,42 5.437,43 3.191,44 3.716,45 3.923,46 3.093,47 2.871,48 5.11,49 2.804,50 3.28,51 3.498,52 2.308,53 2.269,54 4.693,55 2.223,56 0.073,57 0.446,58 3.148,59 2.307,60 11.635,61 2.227,62 0.149,63 0.702,64 5.863,65 3.98,66 23.818,67 3.961,68 0.259,69 0.886,70 12.33,71 5.586,72 40.573,73 5.088,74 0.21,75 0.823,76 11.018,77 5.318,78 34.895,79 5.37,80 0.213,81 0.78,82 10.832,83 4.957,84 32.136,85 5.297,86 0.315,87 0.792,88 10.504,89 4.602,90 42.342,91 4.33,92 0.241,93 0.647,94 10.843,95 4.105,96 34.091,97 3.777,98 0.184,99 0.359,100 6.915,101 2.484,102 33.856,103 2.289,104 11,105 30,106 0.343,107 0.658,108 0.804,109 0.896,110 0.896,111 0.896,112 3.012,113 0.914,114 -3.43,115 -3.41,116 -3.26,119 50,142 5,143 3,144 1,145 2,152 2,158 1,163 1,164 1,165 1,172 7,175 1,177 1,178 1,183 10,188 5,193 2,196 7,198 2,200 4,205 1,208 5,210 1,213 2,218 1,221 4,223 1,224 1,225 2,227 1,228 1,230 1,233 2,235 1,238 2,243 2,246 1,248 2,250 1,255 1,260 1,264 1,269 1,274 1,276 400,277 12.723,278 12.723,279 12.723,280 12.723,281 12.723,282 10.737,283 4.452,284 7.433,285 12.987,286 10.377,287 10.377,288 10.377,289 10.377,290 10.377,291 7.369,292 3.014,293 3.529,294 10.86,295 2.994,296 1.331,297 0.557,298 0.071,299 0.071,300 0.071,301 3.688,305 1,306 1,307 288,308 2.449,311 34.815,312 96.311,315 66.818,319 1.08,320 23.856,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 41.5,332 135,333 4.629,334 3.52,335 6.73,336 4.159,337 3.191,338 4.574,339 0.98,340 11.005,341 3.097,342 4.126,343 3.143,344 6.014,345 3.704,346 2.743,347 3.734,349 8.608,350 2.62,351 3.825,352 2.881,353 5.619,354 3.393,355 2.419,356 3.262,358 7.218,359 2.342,360 3.478,361 2.393,362 5.043,363 3.027,364 2.083,365 2.831,367 5.936,368 1.943,369 3,370 1.752,371 4.508,372 2.454,373 1.5,374 2.225,376 4.284,377 1.422,378 2.925,379 1.562,380 4.007,381 2.397,382 1.453,383 2.109,385 3.449,386 1.357,387 2.626,388 1.327,389 3.668,390 2.123,391 1.14,392 1.686,394 2.564,395 1.115,396 2.543,397 1.155,398 3.477,399 1.958,400 1,401 1.466,403 2.453,404 0.932,405 1.957,406 0.475,407 3.252,408 1.371,409 0.472,410 0.696,412 1.292,413 0.415,414 1.036,415 0.19,416 2.541,417 0.571,418 -0.368,419 -0.484,421 -0.84,422 -0.331,423 0.889,424 0.116,425 2.271,426 0.435,427 -0.47,428 -0.615,430 -1.192,431 -0.421,432 0.582,433 -0.415,434 2,435 0.082,436 -0.91,437 -1.213,439 -2,440 -0.878,441 0.5,442 -0.893,443 2,444 0.04,445 -1,446 -1.405,448 -2.452,449 -0.917,450 0.47,451 -1,452 1.823,453 -0.064,454 -1,455 -1.5,457 -2.874,458 -1.025,459 0.078,460 -1.129,461 1.501,462 -0.292,463 -1.247,464 -1.719,466 -3.404,467 -1.188,468 9.252,469 0.487,470 0.524,471 0.028,472 27.25,473 1.434,474 15.5,475 0.816,476 11.75,477 0.618,478 11.923,479 0.628,480 18.948,481 0.677,482 17.674,483 0.93,484 5.429,485 0.286,486 3.719,487 0.196,488 0.11,490 0.378,494 1,496 0.608,497 0.747,498 0.656,499 0.676,500 0.607,501 0.667,502 0.589,503 0.796,504 0.764,505 0.791,506 0.517,507 0.785,508 0.986,509 1.07,510 1.15,511 1.215,512 1.025,513 1.066,514 0.849,515 1.037,516 1.045,517 1.091,518 0.832,519 1.095,520 0.826,521 0.967,522 0.885,523 0.932,524 0.732,525 0.978,526 1.068,527 1.08,528 1.209,529 1.176,530 1.123,531 1.166,532 1.373,533 1.301,534 1.121,535 1.198,536 1.355,537 1.121,538 1.709,539 1.123,540 1.243,541 1.076,542 1.858,543 1.168,544 4,546 2.222,547 1.382,548 1.081,549 0.58,550 0.431,551 0.178,552 0.103,553 0.031,554 2990,555 11090,556 2.081,557 32.1,559 5,561 2,562 2,567 1.608,568 1.932,569 2.885,570 0.393,572 1,574 1,577 50.774,578 1.813,579 3.477,580 4.25,581 4.736,582 4.736,583 4.736,584 2.249,585 4.037,586 4.22,587 2.976,588 508.905,589 7.211,590 4867.11,591 1,592 1,594 1,595 134.606,596 1.462,597 4.171,598 0.19,600 0.074,601 0.048,602 0.042,603 0.025,604 0.022,605 0.015,606 0.017,607 0.008,608 0.44,609 0.83,610 1,611 0.868,612 80.637,613 -0.074,614 0.096,615 0.017,616 0.136,617 -0.096,618 0.104,619 0.033,620 0.07,621 0.058,622 0.119,623 0.082,624 0.052,625 -0.094,626 -0.112,627 -0.117,628 -0.181,629 -0.126,630 -0.141,631 -0.08,632 -0.16,633 -0.131,634 -0.152,635 -0.077,636 -0.142,637 -0.052,638 -0.076,639 0.026,640 -0.01,641 -0.01,642 0.025,643 0.062,644 -0.027,645 -0.168,646 -0.177,647 -0.005,648 -0.228,649 -0.117,650 -0.203,651 0.045,652 -0.133,653 -0.108,654 -0.049,655 -0.301,656 -0.147,657 -0.198,658 -0.105,659 -0.32,660 -0.097,661 2.133,662 5.294,663 0.789,664 11.645,665 1.023,666 1.112,667 2.199,668 4.837,669 0.753,670 3.091,671 3.434,672 3.714,673 4.007,674 4.248,675 4.331,676 4.394,677 4.454,678 4.394,679 4.29,680 4.465,681 0.73,682 272.32,683 3.091,684 4.635,685 5.493,686 6.385,687 7.269,688 8.168,689 9.061,690 9.962,691 10.859,692 11.762,693 7.1,700 1,703 1,708 2,709 7,710 1,713 1,714 4,716 16,722 1,734 1,735 28,737 17,738 1,739 21,741 30,742 14,743 13,744 2,745 4,746 1,748 3,749 4,762 14,767 1,772 1,776 1,780 1,781 1,783 9,784 4,785 2,786 5,787 1,792 2,797 0.667,798 1,809 1,815 1,816 2,819 1,843 2,845 1,849 1,851 19,852 1,869 1,873 1,874 3.6,877 1,881 9.833,882 5.093,883 4.111,884 1.516,886 3.279,887 1.491,888 1.046,889 2.937,890 9.952,891 3.434,892 4.107,893 4.761,894 5.428,895 6.019,896 6.405,897 6.83,898 7.261,899 7.488,900 7.755,901 0.8,902 29,903 6.996,905 3.065,906 8.105,907 12.919,909 10.696,911 2.605,912 49.5,916 82.398,917 121.628,918 49.683,920 25.145,921 14.96,922 31.278,923 90.35,924 107.543,925 64.643,927 32.897,928 47.381,929 70.177,930 36.16,931 17.064,932 90.133,934 82.398,935 140.033,936 40.105,937 31.278,939 97.358,940 25.145,943 50.992,944 72.255,945 16.786,946 31.278,947 97.358,948 74.828,949 121.628,952 82.398,953 56.152,954 65.476,956 89.788,957 82.398,958 89.788,959 121.628,961 0.588,962 0.34,963 0.186,964 0.109,965 16,966 7,967 0.067,968 2,969 1,970 1.133,971 3.087,972 144.824,973 0.133,974 15,975 80.711,977 1,981 12.092,982 4.614,983 2.185,984 1.718,985 89.788,986 11.345,987 4.127,990 1.288,991 1.688,993 32.897,994 293.813,995 30,1000 11.225,1004 -0.466,1007 28.654,1008 31.127,1009 0.377,1010 0.723,1011 0.884,1012 0.985,1013 0.985,1014 0.985,1015 4.654,1016 1,1017 5.493,1018 2.564,1019 4.111,1020 4.792,1021 1.072,1022 6.326,1023 4.025,1024 5.897,1025 0.472,1026 7.066,1027 2.453,1028 3.761,1029 4.677,1031 7.265,1032 3.64,1033 7.223,1034 -0.368,1035 8.739,1036 1.292,1037 5.72,1038 7.094,1039 1.045,1040 10.382,1041 5.567,1042 8.588,1043 -0.47,1044 10.47,1045 -0.84,1046 6.176,1047 7.817,1049 12.161,1050 5.986,1051 9.984,1052 -0.91,1053 12.239,1054 -1.192,1055 7.633,1056 9.705,1057 1.019,1058 14.799,1059 7.421,1060 11.404,1061 -1,1062 14.034,1063 -2,1064 8.456,1065 10.833,1067 16.927,1068 8.207,1069 12.843,1070 -1,1071 15.849,1072 -2.452,1073 9.715,1074 12.5,1075 0.993,1076 19.402,1077 9.445,1078 3.191,1079 -1.247,1080 17.678,1081 -2.874,1082 10.711,1083 13.83,1085 21.681,1086 10.406,1087 2.743,1088 11.005,1089 19.519,1090 -3.404,1091 11.892,1092 15.402,1093 0.967,1094 24.101,1095 11.564,1096 2.419,1097 8.608,1098 21.37,1099 4.574,1100 12.968,1101 16.829,1103 26.445,1104 12.608,1105 2.083,1106 7.218,1107 23.228,1108 3.734,1109 14.123,1110 18.364,1111 0.942,1112 28.846,1113 13.738,1114 1.5,1115 5.936,1116 25.092,1117 3.262,1118 15.237,1119 19.838,1121 31.218,1122 14.822,1123 1.453,1124 4.284,1125 26.962,1126 2.831,1127 16.385,1128 21.36,1129 0.917,1130 33.615,1131 15.943,1132 1.14,1133 3.449,1134 28.837,1135 2.225,1136 17.518,1137 22.856,1139 36,1140 17.047,1141 2971,1142 5803,1143 13.929,1144 21.097,1145 32.503,1146 32.719,1147 33.21,1148 32.031,1149 32.003,1150 45.172,1151 1.96,1152 93.621,1153 30.485,1154 5.272,1155 5.52,1156 6.284,1157 5.266,1158 5.191,1159 7.574,1160 1.96,1161 18.231,1162 5.097,1163 9.058,1164 1.548,1165 1.558,1166 1.581,1167 1.525,1168 1.524,1169 2.151,1170 0.093,1171 4.458,1172 1.452,1173 4.105,1174 4.114,1175 4.339,1176 4.111,1177 8.201,1178 4.07,1179 3.838,1180 3.859,1181 3.854,1182 3.795,1183 7.437,1184 3.776,1185 3.474,1186 3.515,1187 3.465,1188 3.298,1189 4.974,1190 3.308,1191 3.065,1192 3.131,1193 3.168,1194 2.921,1195 4.866,1196 2.905,1197 2.967,1198 3.01,1199 2.903,1200 2.759,1201 4.587,1202 2.793,1203 2.892,1204 2.952,1205 2.796,1206 2.733,1207 4.249,1208 2.734,1209 2.581,1210 2.648,1211 2.565,1212 2.493,1213 3.753,1214 2.454,1215 2.339,1216 2.428,1217 2.239,1218 2.074,1219 3.455,1220 2.016,1221 0.22,1222 0.168,1223 0.32,1224 0.198,1225 0.152,1226 4.629,1227 0.218,1228 3.52,1229 0.047,1230 6.73,1231 0.524,1232 4.159,1233 0.147,1234 3.191,1235 4.574,1236 0.98,1237 11.005,1238 3.097,1239 1.979,1240 1.961,1241 2.047,1242 2.049,1243 1.189,1244 2.051,1245 1.727,1246 1.704,1247 1.814,1248 1.828,1249 0.915,1250 1.83,1251 1.535,1252 1.538,1253 1.538,1254 1.696,1255 0.685,1256 1.68,1257 0.984,1258 0.949,1259 1.193,1260 1.228,1261 0.263,1262 1.243,1263 0.903,1264 0.836,1265 1.144,1266 1.069,1267 0.135,1268 1.094,1269 0.858,1270 0.804,1271 1.079,1272 1.055,1273 0.011,1274 1.069,1275 0.715,1276 0.661,1277 0.92,1278 0.884,1280 0.929,1281 0.409,1282 0.331,1283 0.629,1284 0.675,1286 0.695,1287 3.761,1289 5.094,1290 2.398,1291 6.621,1292 4.727,1293 8.239,1294 6.862,1295 9.905,1299 13.294,1301 5.282,1314 20.435,1315 50.774,1316 97.345,1317 118.996,1318 132.606,1319 132.606,1320 132.606,1321 31.198,1322 6.673,1323 55.98,1324 84.22,1325 17,1326 12.283,1327 4.17,1328 3.322,1329 27.641,1330 50,1331 45,1332 0.282,1333 129.378,1334 215.23,1335 307.442,1336 5902,1337 3.6,1338 13.405,1339 0.706,1340 0.557,1341 12.889,1342 10.577,1343 9.148,1344 0.436,1345 0.305,1346 5.588,1347 8.4,1348 5.407,1349 4.456,1350 9.162,1351 6.399,1352 8.526,1353 0.284,1354 0.172,1355 8.535,1356 5.168,1357 6.973,1358 0.174,1359 0.098,1360 7.522,1361 3.909,1362 5.888,1363 0.109,1364 0.053,1365 6.409,1366 2.875,1367 4.867,1368 0.071,1369 0.028,1370 5.402,1371 1.947,1372 0.42,1373 61.202,1374 0.268,1375 18.534,1376 0.84,1377 102,1378 367.664,1379 136.083,1380 355.915,1381 473.9,1382 330,1383 121,1384 322.67,1385 152.564,1386 340.29,1387 497.52,1388 320,1389 6.2}
{0 CHEMBL1971021,1 1.701,2 11.813,3 4.918,4 24.183,5 115.715,6 8.451,7 0.514,8 4.065,9 4.175,10 3.717,11 3.632,12 5.281,13 3.637,14 4.6,15 4.746,16 4.183,17 4.032,18 6.237,19 4.025,20 4.791,21 4.949,22 4.169,23 4.173,24 6.044,25 4.14,26 4.932,27 5.131,28 4.227,29 4.154,30 6.229,31 4.133,32 4.92,33 5.107,34 4.21,35 4.089,36 6.342,37 4.084,38 4.95,39 5.186,40 4.159,41 3.983,42 6.306,43 3.991,44 4.806,45 5,46 4.121,47 3.777,48 6.575,49 3.832,50 4.544,51 4.757,52 3.783,53 3.644,54 6.176,55 3.638,56 0.155,57 0.958,58 8.065,59 4.734,60 26.211,61 5.201,62 0.916,63 1.887,64 17.4,65 8.269,66 146.416,67 9.536,68 0.44,69 1.76,70 20.475,71 10.115,72 59.469,73 11.712,74 0.672,75 2.023,76 28.388,77 11.668,78 106.568,79 13.827,80 0.901,81 2.122,82 27.121,83 10.401,84 103.919,85 11.435,86 0.957,87 2.13,88 34.041,89 11.828,90 165.669,91 13.543,92 1.623,93 2.012,94 28.239,95 8.437,96 243.849,97 8.072,98 1.06,99 1.353,100 22.424,101 7.615,102 199.34,103 8.248,104 51,105 52,106 0.281,107 0.589,108 0.713,109 0.81,110 0.84,111 0.847,112 3.502,113 0.848,114 -5.46,115 -5.33,116 -4.98,119 46.2,120 2,125 1,132 1,142 9,143 7,144 2,158 1,159 1,172 17,175 1,178 3,179 1,180 6,183 22,188 2,193 6,196 17,200 6,205 11,208 12,213 6,218 7,221 6,225 6,230 8,233 6,238 3,243 3,246 8,250 2,254 1,255 3,258 12,264 2,267 1,269 2,272 10,276 1760,277 20.728,278 20.728,279 20.728,280 20.728,281 20.728,282 18.307,283 28.774,284 11.866,285 21.108,286 17.304,287 17.304,288 17.304,289 17.304,290 17.304,291 13.449,292 43.022,293 5.667,294 17.96,295 4,296 2.141,297 1.39,298 0.803,299 0.62,300 0.582,301 4.19,305 1,306 1,307 814,308 4,311 74.193,312 317.988,315 138.647,319 1.887,320 56.52,323 0.75,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.84,331 72,332 378,333 4.667,334 4.471,335 7.305,336 4.353,337 3.43,338 4.318,339 3.825,340 12.578,341 3.263,342 4.406,343 3.65,344 6.755,345 4.092,346 3.133,347 3.919,348 1.656,349 10.937,350 2.97,351 4.179,352 3.563,353 6.061,354 3.787,355 2.805,356 3.817,357 1.081,358 8.564,359 2.756,360 3.887,361 3.047,362 5.72,363 3.562,364 2.624,365 3.165,366 0.473,367 8.099,368 2.436,369 3.795,370 2.881,371 5.485,372 3.469,373 2.486,374 3.072,375 0.247,376 7.36,377 2.393,378 3.522,379 2.612,380 5.173,381 3.14,382 2.16,383 2.784,385 6.142,386 2.095,387 3.232,388 2.234,389 4.977,390 2.879,391 1.879,392 2.481,394 5.58,395 1.879,396 3.202,397 2.147,398 4.618,399 2.798,400 1.815,401 2.406,403 4.963,404 1.764,405 3.085,406 2.129,407 4.538,408 2.642,409 1.637,410 2.251,412 4.62,413 1.632,414 2.92,415 1.732,416 4.353,417 2.532,418 1.544,419 2.072,421 3.703,422 1.525,423 2.66,424 1.563,425 4.115,426 2.202,427 1.223,428 1.675,430 3.557,431 1.184,432 2.572,433 1.229,434 3.906,435 2.1,436 1.123,437 1.597,439 2.93,440 1.084,441 1.968,442 1.086,443 3.319,444 1.735,445 0.759,446 0.885,448 1.799,449 0.737,450 1.375,451 0.671,452 3.028,453 1.061,454 0.101,455 0.121,457 0.281,458 0.097,459 1.19,460 0.51,461 2.896,462 0.802,463 -0.189,464 -0.242,466 -0.516,467 -0.186,468 14.724,469 0.46,470 1.145,471 0.036,472 42.25,473 1.32,474 22,475 0.688,476 20.25,477 0.633,478 26.585,479 0.831,480 34.476,481 0.663,482 37.737,483 1.179,484 8.662,485 0.271,486 6.452,487 0.202,488 0.171,489 0.034,490 0.374,493 3,496 0.583,497 0.917,498 0.657,499 0.93,500 0.571,501 0.845,502 0.339,503 0.691,504 0.619,505 0.866,506 0.358,507 0.86,508 0.671,509 0.946,510 0.917,511 1.154,512 0.655,513 1.139,514 0.875,515 1.095,516 0.846,517 1.088,518 0.847,519 0.999,520 1.118,521 1.112,522 1.117,523 1.134,524 1.105,525 1.123,526 1.294,527 1.255,528 0.888,529 0.96,530 1.288,531 0.822,532 1.654,533 1.162,534 1.289,535 0.866,536 1.737,537 0.913,538 1.249,539 0.993,540 1.065,541 0.77,542 1.219,543 0.815,544 9,545 0.317,546 3.778,547 3.507,548 2.013,549 1.649,550 1.049,551 0.689,552 0.388,553 0.266,554 13820,555 44253,556 2.019,557 38.5,558 6,559 11,562 3,567 1.746,568 1.837,569 3.497,570 0.853,577 88.435,578 1.701,579 3.56,580 4.31,581 4.897,582 5.08,583 5.118,584 2.945,585 4.539,586 4.972,587 3.722,588 1846.28,589 8.702,590 26731.4,592 1,595 296.423,596 1.693,597 4.896,598 0.257,599 0.011,600 0.073,601 0.067,602 0.038,603 0.034,604 0.022,605 0.017,606 0.012,607 0.009,608 0.54,609 0.33,610 0.88,611 0.792,612 167.607,613 -0.051,614 -0.001,615 0.007,616 0.056,617 -0.088,618 0.061,619 0.443,620 0.323,621 0.186,622 0.128,623 0.386,624 0.072,625 -0.053,626 -0.126,627 -0.121,628 -0.175,629 -0.043,630 -0.175,631 -0.047,632 -0.2,633 0.095,634 -0.105,635 -0.02,636 0.002,637 -0.087,638 -0.091,639 -0.166,640 -0.188,641 -0.093,642 -0.204,643 -0.115,644 -0.176,645 0.219,646 0.034,647 -0.108,648 0.194,649 0.061,650 0.21,651 -0.151,652 0.076,653 -0.001,654 -0.068,655 0.067,656 0.171,657 0.024,658 0.223,659 0.116,660 0.15,661 5.907,662 5.905,663 0.656,664 31.375,665 1.026,666 1.136,667 4.225,668 17.851,669 0.68,670 3.584,671 3.97,672 4.205,673 4.522,674 4.718,675 4.82,676 4.934,677 5.037,678 5.081,679 5.142,680 7.166,681 0.671,682 439.47,683 3.584,684 5.165,685 6.019,686 6.93,687 7.804,688 8.718,689 9.601,690 10.514,691 11.404,692 12.318,693 5.8,700 3,709 9,714 9,716 18,723 1,735 52,737 20,738 3,739 35,741 55,742 24,743 18,744 9,745 9,746 1,748 4,749 5,753 1,754 3,759 1,762 20,763 4,767 2,772 2,776 2,781 3,783 20,784 8,785 3,786 8,792 3,797 0.75,798 2,815 1,816 3,819 1,843 3,847 2,849 3,851 32,858 1,860 3,865 1,873 3,874 3.8,877 2,881 17.417,882 10.012,883 6.722,884 2.961,886 3.351,887 1.427,888 1.016,889 5.703,890 11.201,891 3.85,892 4.483,893 5.029,894 5.637,895 6.16,896 6.427,897 6.78,898 7.13,899 7.406,900 7.715,901 0.875,902 52,903 12.495,905 6.033,906 8.268,907 21.724,909 17.994,911 2.768,912 88.583,915 1,916 200.109,917 149.595,918 54.032,920 50.29,921 44.88,923 149.595,924 250.399,925 98.913,926 17.65,927 56.138,928 85.286,929 54.995,930 72.693,931 4.276,932 200.109,933 7.76,934 200.109,935 203.627,936 95.17,939 200.109,940 95.17,943 81.548,944 122.079,947 244.989,948 104.322,949 149.595,952 207.868,953 38.899,954 102.937,955 54.032,956 95.17,957 200.109,958 149.202,959 149.595,961 0.601,962 0.335,963 0.187,964 0.1,965 26,966 13,967 0.055,968 3,969 1,970 1.095,971 4.146,972 299.638,973 0.095,974 21,975 149.245,981 21.915,982 8.327,983 4.661,985 149.202,986 13.807,991 2.732,993 54.032,994 498.906,995 46,1000 24.271,1004 -0.956,1007 53.334,1008 59.085,1009 0.298,1010 0.624,1011 0.756,1012 0.859,1013 0.891,1014 0.898,1015 5.127,1016 1.815,1017 6.066,1018 5.58,1019 4.654,1020 5.17,1021 3.347,1022 6.94,1023 4.588,1024 6.376,1025 1.637,1026 7.671,1027 4.963,1028 4.511,1029 5.139,1030 3.949,1031 8.095,1032 4.344,1033 7.716,1034 1.544,1035 9.382,1036 4.62,1037 6.351,1038 7.377,1039 5.476,1040 11.159,1041 6.202,1042 9.086,1043 1.223,1044 11.156,1045 3.703,1046 6.957,1047 8.065,1048 6.701,1049 13.126,1050 6.703,1051 10.484,1052 1.123,1053 12.973,1054 3.557,1055 8.363,1056 9.862,1057 8.067,1058 15.795,1059 8.11,1060 11.902,1061 0.759,1062 14.822,1063 2.93,1064 9.301,1065 10.901,1066 9.391,1067 18.088,1068 8.957,1069 13.337,1070 0.101,1071 16.695,1072 1.799,1073 10.557,1074 12.508,1075 10.736,1076 20.641,1077 10.192,1078 3.43,1079 -0.189,1080 18.587,1081 0.281,1082 11.641,1083 13.731,1084 12.075,1085 23.064,1086 11.204,1087 3.133,1088 12.578,1089 20.495,1090 -0.516,1091 12.85,1092 15.247,1093 13.417,1094 25.584,1095 12.377,1096 2.805,1097 10.937,1098 22.415,1099 4.318,1100 13.999,1101 16.568,1102 14.758,1103 28.059,1104 13.464,1105 2.624,1106 8.564,1107 24.345,1108 3.919,1109 15.198,1110 18.042,1111 16.1,1112 30.573,1113 14.618,1114 2.486,1115 8.099,1116 26.283,1117 3.817,1118 16.378,1119 19.416,1120 17.441,1121 33.073,1122 15.742,1123 2.16,1124 7.36,1125 28.228,1126 3.165,1127 17.579,1128 20.87,1129 18.783,1130 35.588,1131 16.895,1132 1.879,1133 6.142,1134 30.179,1135 3.072,1136 18.776,1137 22.275,1138 20.124,1139 38.098,1140 18.037,1141 13254,1142 23967,1143 22.482,1144 35.353,1145 54.138,1146 54.917,1147 55.508,1148 53.586,1149 53.443,1150 69.127,1151 14.564,1152 162.224,1153 51.63,1154 5.539,1155 6.471,1156 6.816,1157 5.397,1158 5.43,1159 7.318,1160 5.335,1161 20.509,1162 5.263,1163 19.731,1164 1.547,1165 1.569,1166 1.586,1167 1.531,1168 1.527,1169 1.975,1170 0.416,1171 4.635,1172 1.475,1173 4.079,1174 4.102,1175 4.045,1176 4.018,1177 8.513,1178 4.02,1179 3.95,1180 3.981,1181 3.891,1182 3.884,1183 7.999,1184 3.881,1185 3.856,1186 3.885,1187 3.817,1188 3.763,1189 7.999,1190 3.769,1191 3.483,1192 3.53,1193 3.456,1194 3.217,1195 7.432,1196 3.258,1197 3.376,1198 3.432,1199 3.316,1200 3.164,1201 7.428,1202 3.189,1203 3.283,1204 3.35,1205 3.244,1206 3.125,1207 4.798,1208 3.101,1209 3.266,1210 3.333,1211 3.067,1212 3,1213 4.736,1214 3.045,1215 3.052,1216 3.117,1217 2.941,1218 2.918,1219 4.578,1220 2.918,1221 0.133,1222 0.128,1223 0.209,1224 0.124,1225 0.098,1226 4.667,1227 0.123,1228 4.471,1229 0.109,1230 7.305,1231 0.359,1232 4.353,1233 0.093,1234 3.43,1235 4.318,1236 3.825,1237 12.578,1238 3.263,1239 2.002,1240 1.986,1241 2.073,1242 2.073,1243 1.26,1244 2.072,1245 1.936,1246 1.909,1247 2.055,1248 2.024,1249 1.183,1250 2.035,1251 1.778,1252 1.755,1253 1.878,1254 1.876,1255 1.016,1256 1.876,1257 1.366,1258 1.311,1259 1.639,1260 1.659,1261 0.719,1262 1.63,1263 1.308,1264 1.253,1265 1.574,1266 1.62,1267 0.715,1268 1.572,1269 1.303,1270 1.226,1271 1.493,1272 1.507,1273 0.527,1274 1.557,1275 1.101,1276 1.057,1277 1.286,1278 1.421,1279 0.34,1280 1.349,1281 1.036,1282 1.002,1283 1.204,1284 1.246,1285 0.26,1286 1.258,1287 4.263,1289 5.631,1290 2.398,1291 7.175,1292 4.727,1293 8.807,1294 6.823,1295 10.487,1297 3.766,1299 41.714,1303 0.167,1305 7.738,1310 -4.657,1314 34.912,1315 88.435,1316 185.1,1317 224.119,1318 254.648,1319 264.158,1320 266.158,1321 85.31,1322 7.85,1323 70.23,1324 70.23,1325 23,1326 12.835,1327 4.392,1328 3.585,1329 51.882,1330 137,1331 128,1332 0.184,1333 211.182,1334 381.37,1335 507.043,1336 28425,1337 5.8,1338 23.043,1339 0.72,1340 0.542,1341 20.543,1342 17.354,1343 15.113,1344 0.432,1345 0.283,1346 9.739,1347 14.486,1348 9.483,1349 7.856,1350 13.902,1351 9.896,1352 15.153,1353 0.291,1354 0.149,1355 13.157,1356 7.728,1357 11.283,1358 0.171,1359 0.079,1360 10.503,1361 5.199,1362 10.214,1363 0.112,1364 0.043,1365 9.592,1366 3.938,1367 7.77,1368 0.07,1369 0.022,1370 6.923,1371 2.411,1372 0.288,1373 95.355,1374 0.211,1375 29.79,1376 0.504,1377 174,1378 690.803,1379 201.44,1380 591.667,1381 774.47,1382 546,1383 205,1384 544.47,1385 224.626,1386 537.36,1387 805.11,1388 503,1389 5.1}
{0 CHEMBL1971029,1 1.833,2 13.973,3 3.428,4 11.753,5 145.845,6 9.086,7 0.45,8 4.284,9 4.397,10 4.118,11 3.804,12 5.38,13 3.779,14 4.828,15 5.002,16 4.464,17 4.18,18 6.076,19 4.141,20 5.047,21 5.227,22 4.637,23 4.353,24 6.192,25 4.297,26 5.149,27 5.331,28 4.497,29 4.399,30 6.328,31 4.313,32 5.218,33 5.454,34 4.528,35 4.391,36 6.282,37 4.29,38 5.135,39 5.377,40 4.688,41 4.364,42 6.173,43 4.251,44 5.029,45 5.226,46 4.742,47 4.28,48 6.192,49 4.219,50 5.003,51 5.199,52 4.512,53 4.236,54 6.186,55 4.146,56 0.166,57 1.035,58 12.737,59 5.799,60 19.673,61 6.857,62 0.699,63 1.593,64 26.313,65 9.608,66 67.089,67 11.723,68 0.732,69 1.908,70 43.965,71 12.099,72 64.729,73 14.72,74 0.87,75 1.993,76 41.675,77 14.543,78 100.745,79 17.271,80 0.977,81 2.051,82 48.126,83 14.593,84 101.003,85 19.48,86 0.79,87 1.929,88 61.498,89 14.956,90 74.347,91 18.726,92 0.821,93 1.763,94 51.961,95 11.886,96 65.839,97 14.399,98 0.963,99 1.687,100 47.804,101 12.022,102 84.97,103 14.378,104 60,105 57,106 0.29,107 0.615,108 0.773,109 0.835,110 0.864,111 0.864,112 3.642,113 1.033,114 -2.94,115 -2.95,116 -2.84,117 1,119 36.9,120 1,124 2,125 4,142 7,144 6,145 1,147 1,150 1,158 1,172 4,174 3,175 5,178 5,180 2,183 3,187 1,188 7,191 1,193 5,196 2,200 7,203 4,204 2,205 4,212 4,213 9,218 2,221 1,224 4,225 5,228 1,230 2,233 2,238 6,241 2,243 4,246 4,249 3,250 3,253 4,254 1,255 2,258 3,263 2,264 2,267 1,269 1,272 4,276 2693,277 24.643,278 24.643,279 24.643,280 24.643,281 24.643,282 21.97,283 35.803,284 14.13,285 25.517,286 19.547,287 19.547,288 19.547,289 19.547,290 19.547,291 15.343,292 56.529,293 6.487,294 21.015,295 4.189,296 2.133,297 1.137,298 0.743,299 0.558,300 0.558,301 4.332,307 1094,308 4.243,312 512.146,319 2.137,320 45.343,323 0.5,324 0.67,325 0.67,326 0.6,327 0.5,328 0.67,329 1,330 0.66,331 81.25,332 517,333 4.879,334 4.704,335 7.392,336 4.342,337 3.424,338 4.736,339 1.94,340 12.808,341 3.114,342 4.342,343 3.671,344 6.3,345 3.964,346 3.017,347 3.98,348 0.86,349 9.615,350 2.861,351 4.233,352 3.237,353 6.125,354 3.791,355 2.883,356 3.866,357 0.8,358 9,359 2.632,360 3.933,361 3.166,362 6.019,363 3.704,364 2.762,365 3.404,366 0.555,367 8.605,368 2.564,369 3.853,370 2.96,371 5.871,372 3.484,373 2.542,374 3.116,375 0.4,376 8.023,377 2.391,378 3.753,379 2.547,380 5.664,381 3.361,382 2.397,383 2.988,384 0.4,385 7.446,386 2.289,387 3.478,388 2.465,389 5.208,390 3.038,391 2.143,392 2.786,394 6.421,395 1.893,396 2.967,397 2.279,398 4.476,399 2.613,400 1.635,401 2.145,403 4.419,404 1.59,405 2.901,406 1.86,407 4.39,408 2.51,409 1.574,410 1.982,412 4.038,413 1.458,414 2.848,415 1.78,416 4.272,417 2.41,418 1.463,419 1.936,421 3.919,422 1.369,423 2.767,424 1.538,425 4.083,426 2.254,427 1.311,428 1.883,430 3.232,431 1.201,432 2.662,433 1.419,434 3.729,435 2.167,436 1.185,437 1.722,439 2.858,440 1.152,441 2.378,442 1.373,443 3.626,444 2.099,445 1.121,446 1.302,448 2.745,449 1.084,450 2,451 1.146,452 3.414,453 1.967,454 1,455 1,457 2.275,458 0.965,459 1.808,460 1.03,461 3.109,462 1.502,463 0.612,464 0.706,466 1.182,467 0.536,468 18.3,469 0.495,470 1.046,471 0.028,472 49.5,473 1.338,474 24.5,475 0.662,476 25,477 0.676,478 35.27,479 0.953,480 40.5,481 0.623,482 41.943,483 1.134,484 9.604,485 0.26,486 8.108,487 0.219,488 0.209,489 0.046,490 0.29,496 0.719,497 1.593,498 0.563,499 1.146,500 0.646,501 0.961,502 0.842,503 0.999,504 0.62,505 0.765,506 0.558,507 0.787,508 1.077,509 1.168,510 0.928,511 1.084,512 0.964,513 0.969,514 1.167,515 1.144,516 0.791,517 1.061,518 1.323,519 1.152,520 0.873,521 0.999,522 0.616,523 0.807,524 0.98,525 0.918,526 0.728,527 0.926,528 0.937,529 0.791,530 0.533,531 0.829,532 1.095,533 1.099,534 1.4,535 1.064,536 0.72,537 0.94,538 1.091,539 0.961,540 1.414,541 1.04,542 0.902,543 1.098,544 9,545 0.339,546 5.333,547 2.625,548 2.089,549 1.569,550 1.136,551 0.698,552 0.513,553 0.409,554 20636,555 65910,556 2.016,557 43.1,559 21,561 1,562 3,563 3,567 1.782,568 1.858,569 3.74,570 0.889,577 119.157,578 1.833,579 3.889,580 4.885,581 5.28,582 5.464,583 5.464,584 3.221,585 4.77,586 5.181,587 3.94,588 2624.26,589 9.124,590 43176.7,595 391.454,596 1.621,597 5.118,598 0.225,599 0.008,600 0.094,601 0.042,602 0.037,603 0.029,604 0.02,605 0.012,606 0.011,607 0.01,608 0.488,609 0.33,610 0.75,611 1.03,612 204.423,613 -0.006,614 -0.326,615 0.05,616 -0.124,617 -0.118,618 -0.021,619 0.123,620 0.144,621 0.047,622 0.141,623 0.212,624 0.121,625 -0.106,626 -0.057,627 -0.018,628 -0.074,629 -0.039,630 -0.022,631 -0.115,632 -0.112,633 -0.086,634 -0.129,635 -0.131,636 -0.204,637 0.014,638 -0.035,639 0.063,640 0.063,641 -0.069,642 0.054,643 0.065,644 0.055,645 0.138,646 0.166,647 0.071,648 0.171,649 -0.058,650 -0.058,651 0.044,652 -0.036,653 0.015,654 0.022,655 -0.023,656 0.073,657 -0.099,658 -0.061,659 -0.043,660 -0.153,661 4.6,662 5.444,663 0.649,664 42.156,665 1.016,666 1.133,667 1.711,668 2.928,669 0.681,670 3.714,671 4.06,672 4.317,673 4.522,674 4.762,675 4.852,676 4.984,677 5.043,678 5.17,679 5.318,680 8.222,681 0.646,682 590.56,683 3.714,684 5.273,685 6.125,686 7.008,687 7.876,688 8.761,689 9.635,690 10.521,691 11.396,692 12.283,693 10.8,695 1,699 1,700 1,701 2,703 2,709 8,710 2,714 8,716 18,728 2,730 1,733 1,734 1,735 65,737 21,738 2,739 40,740 1,741 68,742 24,743 16,744 5,745 7,748 4,749 4,754 1,762 17,763 7,767 3,770 1,772 3,776 1,783 28,784 11,785 3,786 13,787 2,792 7,797 1,798 4,810 1,816 4,830 1,843 4,845 1,846 1,847 3,851 37,855 1,858 4,860 3,861 1,864 2,873 1,874 6.2,877 3,879 1,881 19.917,882 12.443,883 8.181,884 3.607,886 3.811,887 1.463,888 0.984,889 8.797,890 12.042,891 3.97,892 4.58,893 5.07,894 5.565,895 6.087,896 6.296,897 6.651,898 6.978,899 7.346,900 7.742,901 1,902 62,903 13.899,905 6.086,906 7.896,907 25.798,909 20.888,911 2.396,912 88.667,916 294.278,917 144.767,918 138.2,920 80.458,922 5.807,923 184.914,924 374.735,925 92.246,926 28.105,927 11.547,928 88.546,929 119.505,930 77.313,931 4.227,932 282.506,933 45.954,934 294.278,935 231.206,936 80.458,937 5.807,938 45.954,939 294.278,940 80.458,943 83.745,944 113.89,945 39.378,946 45.954,947 294.278,948 172.704,949 190.721,951 5.807,952 294.278,953 35.474,954 109.734,955 98.381,956 114.029,957 294.278,958 172.704,959 190.721,961 0.588,962 0.349,963 0.174,964 0.094,965 26,966 13,967 0.118,968 8,970 1,971 4.559,972 356.152,974 24,975 186.75,980 1,981 27.45,982 11.858,983 6.466,985 172.704,986 13.918,987 8.907,991 3.941,993 52.426,994 657.703,995 52,998 -3.683,1000 36.546,1004 0.083,1007 66.047,1008 73.655,1009 0.304,1010 0.646,1011 0.811,1012 0.877,1013 0.907,1014 0.907,1015 5.228,1016 1.635,1017 6.146,1018 6.421,1019 4.745,1020 5.268,1021 2.377,1022 6.995,1023 4.604,1024 6.46,1025 1.574,1026 7.743,1027 4.419,1028 4.511,1029 5.323,1030 1.738,1031 8.155,1032 4.264,1033 7.804,1034 1.463,1035 9.447,1036 4.038,1037 6.422,1038 7.532,1039 3.049,1040 11.177,1041 6.131,1042 9.188,1043 1.311,1044 11.218,1045 3.919,1046 6.986,1047 8.391,1048 3.144,1049 13.16,1050 6.576,1051 10.607,1052 1.185,1053 13.031,1054 3.232,1055 8.412,1056 10.15,1057 4.149,1058 15.791,1059 7.957,1060 12.051,1061 1.121,1062 14.876,1063 2.858,1064 9.319,1065 11.361,1066 4.541,1067 18.103,1068 8.745,1069 13.515,1070 1,1071 16.745,1072 2.745,1073 10.576,1074 12.966,1075 5.385,1076 20.644,1077 9.943,1078 3.424,1079 0.612,1080 18.633,1081 2.275,1082 11.636,1083 14.344,1084 5.912,1085 23.093,1086 10.891,1087 3.017,1088 12.808,1089 20.537,1090 1.182,1091 12.838,1092 15.896,1093 6.67,1094 25.622,1095 12.019,1096 2.883,1097 9.615,1098 22.455,1099 4.736,1100 13.971,1101 17.354,1102 7.263,1103 28.127,1104 13.045,1105 2.762,1106 9,1107 24.385,1108 3.98,1109 15.161,1110 18.891,1111 7.976,1112 30.662,1113 14.151,1114 2.542,1115 8.605,1116 26.325,1117 3.866,1118 16.329,1119 20.392,1120 8.602,1121 33.192,1122 15.216,1123 2.397,1124 8.023,1125 28.274,1126 3.404,1127 17.522,1128 21.927,1129 9.292,1130 35.732,1131 16.317,1132 2.143,1133 7.446,1134 30.231,1135 3.116,1136 18.71,1137 23.45,1138 9.936,1139 38.273,1140 17.405,1141 20016,1142 36037,1143 25.948,1144 44.233,1145 59.673,1146 61.798,1147 62.57,1148 59.731,1149 59.67,1150 76.862,1151 9.912,1152 175.913,1153 55.468,1154 5.879,1155 6.704,1156 7.072,1157 5.423,1158 5.424,1159 7.736,1160 3.348,1161 20.475,1162 5.114,1163 22.425,1164 1.492,1165 1.545,1166 1.564,1167 1.493,1168 1.492,1169 1.922,1170 0.248,1171 4.398,1172 1.387,1173 4.089,1174 4.088,1175 6.88,1176 4.065,1177 7.717,1178 3.985,1179 3.981,1180 4.009,1181 4.735,1182 3.87,1183 7.428,1184 3.875,1185 3.828,1186 3.878,1187 3.937,1188 3.691,1189 6.999,1190 3.684,1191 3.751,1192 3.788,1193 3.761,1194 3.579,1195 5.03,1196 3.591,1197 3.636,1198 3.655,1199 3.692,1200 3.542,1201 4.833,1202 3.481,1203 3.421,1204 3.475,1205 3.608,1206 3.195,1207 4.7,1208 3.209,1209 3.227,1210 3.298,1211 3.304,1212 2.957,1213 4.433,1214 2.963,1215 3.122,1216 3.206,1217 3.033,1218 2.941,1219 4.214,1220 2.935,1221 0.122,1222 0.118,1223 0.185,1224 0.109,1225 0.086,1226 4.879,1227 0.118,1228 4.704,1229 0.049,1230 7.392,1231 0.32,1232 4.342,1233 0.078,1234 3.424,1235 4.736,1236 1.94,1237 12.808,1238 3.114,1239 1.966,1240 1.97,1241 2.033,1242 2.078,1243 1.298,1244 2.08,1245 1.919,1246 1.889,1247 1.989,1248 2.045,1249 1.181,1250 2.06,1251 1.738,1252 1.688,1253 1.892,1254 1.943,1255 1.05,1256 1.931,1257 1.681,1258 1.639,1259 1.714,1260 1.846,1261 0.825,1262 1.837,1263 1.512,1264 1.51,1265 1.659,1266 1.716,1267 0.788,1268 1.744,1269 1.365,1270 1.305,1271 1.656,1272 1.622,1273 0.738,1274 1.63,1275 1.184,1276 1.107,1277 1.563,1278 1.492,1279 0.708,1280 1.517,1281 1.153,1282 1.064,1283 1.513,1284 1.376,1285 0.573,1286 1.429,1287 4.394,1289 5.733,1291 7.27,1293 8.89,1295 10.551,1296 3.433,1297 4.532,1303 2.783,1305 8.627,1306 5.536,1309 4.044,1314 42.016,1315 119.157,1316 252.806,1317 317.538,1318 343.189,1319 355.189,1320 355.189,1321 83.966,1322 8.231,1323 128.79,1324 137.17,1325 24,1326 12.817,1327 4.459,1328 3.7,1329 64.812,1330 183,1331 190,1332 0.17,1333 268.729,1334 465.17,1335 647.458,1336 49291,1337 1.5,1338 26.579,1339 0.718,1340 0.623,1341 27.829,1342 23.058,1343 17.712,1344 0.443,1345 0.344,1346 11.442,1347 15.495,1348 10.95,1349 9.084,1350 19.11,1351 13.768,1352 16.301,1353 0.286,1354 0.192,1355 18.399,1356 10.931,1357 13.668,1358 0.185,1359 0.108,1360 15.575,1361 8.015,1362 10.553,1363 0.116,1364 0.056,1365 11.764,1366 5.124,1367 8.584,1368 0.074,1369 0.03,1370 9.773,1371 3.477,1372 0.271,1373 128.906,1374 0.196,1375 33.738,1376 0.459,1377 194,1378 634.036,1379 320.139,1380 661.324,1381 884.3,1382 612,1383 228,1384 594.596,1385 332.329,1386 647.067,1387 942.65,1388 605,1389 8}
{0 CHEMBL1971141,1 1.498,2 11.846,3 3.53,4 12.459,5 101.249,6 7.676,7 0.643,8 3.891,9 4.011,10 3.47,11 3.487,12 5.097,13 3.465,14 4.34,15 4.485,16 3.806,17 3.849,18 5.596,19 3.799,20 4.594,21 4.773,22 3.816,23 3.962,24 5.753,25 3.889,26 4.65,27 4.872,28 3.741,29 3.887,30 5.788,31 3.799,32 4.587,33 4.812,34 3.653,35 3.776,36 5.765,37 3.702,38 4.456,39 4.685,40 3.538,41 3.66,42 5.619,43 3.581,44 4.323,45 4.533,46 3.388,47 3.556,48 5.516,49 3.478,50 4.25,51 4.487,52 3.289,53 3.482,54 5.326,55 3.381,56 0.039,57 0.63,58 8.361,59 3.791,60 9.766,61 4.806,62 0.197,63 0.954,64 14.064,65 6.471,66 28.319,67 8.523,68 0.157,69 1.191,70 19.734,71 8.064,72 35.953,73 10.424,74 0.155,75 1.224,76 22.656,77 8.723,78 40.121,79 11.785,80 0.246,81 1.134,82 21.959,83 7.733,84 51.09,85 10.183,86 0.183,87 0.984,88 19.308,89 7.103,90 43.322,91 9.471,92 0.224,93 0.877,94 16.485,95 5.806,96 46.179,97 7.452,98 0.124,99 0.805,100 15.579,101 5.986,102 30.743,103 8.177,104 18,105 38,106 0.256,107 0.522,108 0.662,109 0.826,110 0.874,111 0.882,112 3.303,113 0.874,114 -4.62,115 -4.54,116 -4.27,119 46.7,120 1,142 12,143 4,144 2,158 1,159 1,163 1,164 1,165 1,172 16,175 1,177 1,178 3,179 1,180 5,183 20,185 1,188 2,193 6,196 16,198 2,200 6,205 9,208 10,210 2,213 6,218 7,221 6,223 2,225 5,230 7,233 6,235 2,238 3,243 5,246 8,248 2,250 2,255 3,258 10,264 2,267 1,268 1,269 2,271 1,272 8,276 1000,277 17.309,278 17.309,279 17.309,280 17.309,281 17.309,282 14.85,283 16.973,284 10.308,285 17.385,286 13.838,287 13.838,288 13.838,289 13.838,290 13.838,291 10.168,292 24.07,293 4.925,294 13.955,295 3.993,296 2.434,297 1.612,298 0.656,299 0.372,300 0.328,301 3.985,304 1,305 1,306 1,307 652,308 3.317,312 287.045,319 2.024,320 22.603,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 55.5,332 308,333 4.321,334 3.563,335 6.213,336 3.947,337 2.946,338 3.979,339 1.656,340 9.299,341 2.948,342 4.087,343 3.503,344 5.843,345 3.712,346 2.735,347 3.664,348 0.98,349 7.963,350 2.674,351 4.014,352 2.87,353 5.62,354 3.63,355 2.63,356 3.558,357 0.247,358 7.772,359 2.624,360 3.779,361 2.737,362 5.397,363 3.434,364 2.447,365 3.114,367 7.122,368 2.402,369 3.495,370 2.46,371 4.903,372 3.105,373 2.115,374 2.766,376 5.725,377 2.085,378 3.187,379 2.138,380 4.539,381 2.769,382 1.77,383 2.413,385 4.722,386 1.761,387 3.069,388 2.002,389 4.355,390 2.6,391 1.591,392 2.251,394 4.145,395 1.598,396 2.66,397 1.383,398 3.705,399 2.183,400 1.185,401 1.732,403 2.781,404 1.182,405 2.625,406 1.24,407 3.479,408 2.134,409 1.13,410 1.66,412 2.585,413 1.131,414 2.529,415 1.116,416 3.435,417 2.016,418 1,419 1.5,421 2.322,422 1.01,423 2.5,424 1,425 3.414,426 2,427 1,428 1.475,430 2.275,431 1,432 1.34,433 0.64,434 2.952,435 1.036,436 0.083,437 0.098,439 0.223,440 0.079,441 1.183,442 0.281,443 2.533,444 0.77,445 -0.235,446 -0.311,448 -0.567,449 -0.233,450 0.887,451 0.133,452 2.214,453 0.566,454 -0.433,455 -0.535,457 -1.012,458 -0.432,459 0.823,460 -0.132,461 2,462 0.392,463 -0.62,464 -0.837,466 -1.524,467 -0.623,468 12.367,469 0.476,470 0.664,471 0.026,472 37.75,473 1.452,474 22,475 0.846,476 15.75,477 0.606,478 16.436,479 0.632,480 26.633,481 0.592,482 28.107,483 1.081,484 7.798,485 0.3,486 4.71,487 0.181,488 0.127,490 0.323,496 0.769,497 1.006,498 0.795,499 0.862,500 0.67,501 0.822,502 0.356,503 1.016,504 0.791,505 1.018,506 0.433,507 0.984,508 1.061,509 1.148,510 1.11,511 1.121,512 0.972,513 1.121,514 0.929,515 1.151,516 0.97,517 1.102,518 0.866,519 1.05,520 1.36,521 0.991,522 1.053,523 0.948,524 1.277,525 0.949,526 1.169,527 1.021,528 0.939,529 0.956,530 1.137,531 0.923,532 1.538,533 0.97,534 1.214,535 0.949,536 1.49,537 1.015,538 0.87,539 1.016,540 0.926,541 0.994,542 0.864,543 0.973,544 6,545 0.12,546 2.444,547 1.625,548 1.067,549 0.944,550 0.463,551 0.262,552 0.229,553 0.157,554 8714,555 24363,556 2.037,557 42.2,558 3,559 12,562 4,567 1.684,568 1.902,569 3.548,570 1.659,572 1,577 67.429,578 1.498,579 3.057,580 3.88,581 4.836,582 5.12,583 5.164,584 2.969,585 4.21,586 4.672,587 3.74,588 1215.4,589 8.06,590 15975.1,592 1,594 1,595 247.133,596 1.42,597 4.628,598 0.214,599 0.007,600 0.064,601 0.044,602 0.032,603 0.031,604 0.017,605 0.011,606 0.011,607 0.009,608 0.442,610 1,611 0.777,612 130.189,613 -0.102,614 0.114,615 0.001,616 0.102,617 -0.122,618 0.079,619 0.331,620 0.031,621 0.049,622 -0.031,623 0.179,624 -0.041,625 -0.147,626 -0.13,627 -0.2,628 -0.15,629 -0.11,630 -0.177,631 -0.024,632 -0.178,633 0.007,634 -0.125,635 0.011,636 -0.065,637 -0.157,638 -0.002,639 -0.035,640 0.007,641 -0.099,642 0.009,643 -0.073,644 -0.064,645 0.075,646 0.02,647 -0.023,648 0.061,649 -0.276,650 0.04,651 -0.216,652 -0.001,653 -0.224,654 -0.08,655 -0.02,656 -0.067,657 0.066,658 -0.003,659 -0.018,660 0.036,661 2.127,662 5.094,663 0.692,664 26.497,665 1.001,666 1.116,667 3.394,668 11.52,669 0.689,670 3.367,671 3.664,672 3.85,673 4.06,674 4.248,675 4.234,676 4.29,677 4.344,678 4.357,679 4.443,680 7.177,681 0.66,682 345.43,683 3.367,684 4.89,685 5.707,686 6.561,687 7.392,688 8.247,689 9.083,690 9.939,691 10.778,692 11.634,693 6.7,700 3,709 12,714 6,716 18,722 1,735 45,737 20,738 3,739 28,741 47,742 21,743 18,744 6,745 12,746 1,748 3,749 3,753 1,754 1,762 20,763 1,767 2,772 2,776 2,779 1,780 1,783 19,784 5,785 4,786 5,792 3,797 1,798 2,816 3,843 3,847 1,851 26,852 1,860 2,874 4.4,877 2,881 13.667,882 8.167,883 5.722,884 2.458,886 3.265,887 1.462,888 1.001,889 5.348,890 10.333,891 3.689,892 4.27,893 4.777,894 5.326,895 5.853,896 5.984,897 6.328,898 6.638,899 6.895,900 7.228,901 0.875,902 37,903 9.553,905 3.998,906 7.897,907 17.91,909 14.253,911 2.397,912 62.333,915 1,916 176.567,917 149.776,918 68.919,920 50.29,923 149.776,924 226.856,925 68.919,926 8.825,927 68.919,928 113.715,929 54.995,930 18.256,931 4.276,932 176.567,934 176.567,935 218.695,936 50.29,939 176.567,940 50.29,943 77.744,944 140.951,947 176.567,948 119.209,949 149.776,952 176.567,953 27.236,954 122.54,955 36.022,956 83.187,957 176.567,958 119.209,959 149.776,961 0.579,962 0.321,963 0.167,964 0.09,965 17,966 8,967 0.085,968 4,970 1,971 3.88,972 204.182,974 18,975 116.211,981 17.711,982 7.851,983 4.721,985 119.209,986 22.072,991 4.759,993 68.919,994 445.552,995 39,1000 23.393,1004 -0.767,1007 45.029,1008 50.235,1009 0.273,1010 0.557,1011 0.707,1012 0.881,1013 0.932,1014 0.94,1015 4.894,1016 1.185,1017 5.68,1018 4.145,1019 4.344,1020 4.956,1021 2.044,1022 6.422,1023 4.327,1024 6.1,1025 1.13,1026 7.198,1027 2.781,1028 3.892,1029 4.663,1030 1.195,1031 7.159,1032 3.874,1033 7.389,1034 1,1035 8.808,1036 2.585,1037 5.878,1038 7.093,1039 2.567,1040 10.187,1041 5.841,1042 8.707,1043 1,1044 10.47,1045 2.322,1046 6.176,1047 7.531,1048 2.324,1049 11.704,1050 6.139,1051 10.05,1052 0.083,1053 12.165,1054 2.275,1055 7.655,1056 9.469,1057 3.31,1058 14.23,1059 7.603,1060 11.411,1061 -0.235,1062 13.881,1063 0.223,1064 8.313,1065 10.275,1066 3.407,1067 16.097,1068 8.262,1069 12.785,1070 -0.433,1071 15.614,1072 -0.567,1073 9.562,1074 11.969,1075 4.182,1076 18.423,1077 9.501,1078 2.946,1079 -0.62,1080 17.359,1081 -1.012,1082 10.405,1083 12.987,1084 4.464,1085 20.46,1086 10.345,1087 2.735,1088 9.299,1089 19.114,1090 -1.524,1091 11.545,1092 14.544,1093 5.121,1094 22.707,1095 11.478,1096 2.63,1097 7.963,1098 20.876,1099 3.979,1100 12.486,1101 15.69,1102 5.504,1103 24.83,1104 12.42,1105 2.447,1106 7.772,1107 22.644,1108 3.664,1109 13.574,1110 17.165,1111 6.094,1112 27.048,1113 13.505,1114 2.115,1115 7.122,1116 24.418,1117 3.558,1118 14.567,1119 18.392,1120 6.531,1121 29.214,1122 14.499,1123 1.77,1124 5.725,1125 26.197,1126 3.114,1127 15.634,1128 19.819,1129 7.085,1130 31.424,1131 15.565,1132 1.591,1133 4.722,1134 27.979,1135 2.766,1136 16.655,1137 21.097,1138 7.551,1139 33.614,1140 16.588,1141 8470,1142 14280,1143 18.493,1144 31.017,1145 41.887,1146 42.92,1147 42.569,1148 41.216,1149 41.263,1150 56.42,1151 5.766,1152 113.873,1153 40.988,1154 5.186,1155 5.563,1156 5.769,1157 4.981,1158 4.946,1159 6.979,1160 2.912,1161 15.606,1162 4.948,1163 13.485,1164 1.496,1165 1.533,1166 1.52,1167 1.472,1168 1.474,1169 2.015,1170 0.206,1171 4.067,1172 1.464,1173 4.025,1174 4.051,1175 3.975,1176 3.97,1177 7.438,1178 3.968,1179 3.922,1180 3.954,1181 3.86,1182 3.855,1183 7.43,1184 3.851,1185 3.791,1186 3.823,1187 3.732,1188 3.71,1189 4.911,1190 3.71,1191 3.44,1192 3.486,1193 3.386,1194 3.179,1195 4.804,1196 3.223,1197 3.318,1198 3.371,1199 3.239,1200 3.074,1201 4.749,1202 3.104,1203 3.149,1204 3.23,1205 2.966,1206 2.982,1207 4.57,1208 2.974,1209 2.946,1210 3.008,1211 2.835,1212 2.826,1213 4.034,1214 2.822,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.876,1220 2.715,1221 0.154,1222 0.127,1223 0.222,1224 0.141,1225 0.105,1226 4.321,1227 0.142,1228 3.563,1229 0.059,1230 6.213,1231 0.332,1232 3.947,1233 0.105,1234 2.946,1235 3.979,1236 1.656,1237 9.299,1238 2.948,1239 1.996,1240 1.976,1241 2.085,1242 2.069,1243 1.201,1244 2.075,1245 1.914,1246 1.884,1247 2.036,1248 2.01,1249 1.131,1250 2.019,1251 1.777,1252 1.75,1253 1.893,1254 1.889,1255 0.966,1256 1.89,1257 1.313,1258 1.263,1259 1.56,1260 1.604,1261 0.615,1262 1.57,1263 1.211,1264 1.162,1265 1.406,1266 1.511,1267 0.363,1268 1.486,1269 1.148,1270 1.082,1271 1.364,1272 1.385,1273 0.256,1274 1.414,1275 0.942,1276 0.891,1277 1.181,1278 1.117,1279 0.238,1280 1.134,1281 0.886,1282 0.821,1283 1.161,1284 1.062,1285 0.218,1286 1.107,1287 4.043,1289 5.342,1291 6.825,1293 8.388,1295 9.989,1297 1.967,1301 5.319,1305 5.59,1314 29.708,1315 67.429,1316 137.585,1317 174.604,1318 217.624,1319 230.379,1320 232.379,1321 44.517,1322 7.068,1323 84.22,1324 84.22,1325 18,1326 12.191,1327 4.392,1328 3.585,1329 44.694,1330 114,1331 92,1332 0.192,1333 186.203,1334 323.62,1335 446.096,1336 11322,1338 18.518,1339 0.712,1340 0.551,1341 18.518,1342 14.322,1343 12.508,1344 0.447,1345 0.291,1346 8.09,1347 12.2,1348 7.855,1349 6.591,1350 12.508,1351 8.161,1352 11.426,1353 0.301,1354 0.157,1355 11.426,1356 5.971,1357 8.773,1358 0.191,1359 0.085,1360 8.773,1361 3.899,1362 7.204,1363 0.126,1364 0.046,1365 7.204,1366 2.614,1367 5.611,1368 0.081,1369 0.024,1370 5.611,1371 1.689,1372 0.311,1373 77.308,1374 0.233,1375 25.683,1376 0.502,1377 132,1378 379.449,1379 141.729,1380 377.871,1381 510.18,1382 350,1383 150,1384 370.625,1385 157.818,1386 381.731,1387 546.83,1388 358,1389 5.1}
{0 CHEMBL1971149,1 1.776,2 10.875,3 3.995,4 15.962,5 113.463,6 8.432,7 0.629,8 4.076,9 4.19,10 3.731,11 3.582,12 5.339,13 3.603,14 4.582,15 4.748,16 4.146,17 3.968,18 5.9,19 3.984,20 4.83,21 5.002,22 4.25,23 4.109,24 6.138,25 4.116,26 5.005,27 5.228,28 4.205,29 4.104,30 6.369,31 4.096,32 4.82,33 5.029,34 4.181,35 4.101,36 5.986,37 4.082,38 4.832,39 5.019,40 4.281,41 4.129,42 6.218,43 4.13,44 4.883,45 5.074,46 4.192,47 4.129,48 6.195,49 4.104,50 4.897,51 5.135,52 3.965,53 3.969,54 6.159,55 3.905,56 0.172,57 0.955,58 8.286,59 4.313,60 17.111,61 4.965,62 0.473,63 1.509,64 16.873,65 7.092,66 58.392,67 8.74,68 0.604,69 1.858,70 22.229,71 8.89,72 66.668,73 10.423,74 1.383,75 1.986,76 34.013,77 9.324,78 183.078,79 11.585,80 0.628,81 1.752,82 24.543,83 8.907,84 64.543,85 11.75,86 0.779,87 1.884,88 22.763,89 8.163,90 71.511,91 10.434,92 0.671,93 1.993,94 24.411,95 9.69,96 57.935,97 11.81,98 0.918,99 1.774,100 29.803,101 10.07,102 100.959,103 13.062,104 54,105 52,106 0.293,107 0.674,108 0.825,109 0.863,110 0.863,111 0.863,112 3.503,113 0.837,114 -4.28,115 -4.22,116 -3.98,119 42.3,120 3,123 1,125 1,142 4,143 1,144 2,145 2,146 3,150 1,151 1,152 1,158 1,161 1,167 1,170 1,172 4,173 1,174 2,175 5,178 3,180 2,183 4,184 2,187 3,188 7,193 4,194 1,196 1,199 1,200 7,203 1,204 1,205 1,208 1,212 1,213 8,214 2,216 1,221 2,224 4,225 6,228 3,230 1,233 5,238 4,243 1,246 4,247 1,249 1,250 7,251 1,253 1,255 4,258 1,263 1,264 2,265 1,267 1,272 3,273 1,276 1890,277 20.886,278 20.886,279 20.886,280 20.886,281 20.886,282 18.088,283 17.322,284 11.857,285 21.4,286 17.215,287 17.215,288 17.215,289 17.215,290 17.215,291 13.001,292 21.88,293 5.573,294 18.122,295 3.924,296 1.61,297 0.697,298 0.467,299 0.467,300 0.467,301 4.191,305 1,306 1,307 738,308 4,311 66.004,312 268.303,315 128.86,319 1.578,320 51.499,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 72,332 348,333 4.774,334 3.982,335 7.207,336 4.332,337 3.365,338 4.727,339 2.341,340 12.286,341 3.32,342 4.41,343 3.41,344 7.084,345 4.314,346 3.332,347 3.942,348 0.4,349 11.928,350 3.201,351 4.26,352 3.132,353 6.36,354 3.816,355 2.86,356 3.727,358 9.573,359 2.724,360 4.095,361 2.806,362 6.048,363 3.64,364 2.698,365 3.521,367 8.601,368 2.544,369 3.746,370 2.715,371 5.43,372 3.304,373 2.372,374 3.207,376 7.047,377 2.199,378 3.497,379 2.604,380 5.179,381 3.076,382 2.144,383 2.844,385 6.233,386 1.984,387 3.189,388 2.439,389 4.944,390 2.742,391 1.802,392 2.441,394 5.318,395 1.688,396 3.116,397 2.042,398 4.749,399 2.615,400 1.695,401 2.378,403 4.818,404 1.544,405 2.891,406 1.888,407 4.366,408 2.417,409 1.438,410 2.057,412 3.574,413 1.386,414 2.823,415 1.491,416 4.163,417 2.374,418 1.414,419 1.829,421 3.37,422 1.341,423 2.7,424 1.317,425 4.038,426 2.199,427 1.243,428 1.737,430 3.134,431 1.183,432 2.585,433 1.147,434 3.591,435 2.054,436 1.1,437 1.626,439 2.632,440 1.045,441 2.184,442 0.861,443 3.46,444 1.673,445 0.741,446 1.05,448 1.972,449 0.689,450 1.722,451 0.806,452 3.162,453 1.506,454 0.574,455 0.637,457 1.362,458 0.532,459 1.361,460 0.438,461 2.869,462 0.972,463 0.05,464 0.063,466 0.124,467 0.045,468 14.638,469 0.457,470 1.088,471 0.034,472 43.75,473 1.367,474 22,475 0.688,476 21.75,477 0.68,478 27.647,479 0.864,480 34.562,481 0.665,482 37.442,483 1.17,484 8.656,485 0.271,486 6.513,487 0.204,488 0.187,489 0.034,490 0.369,494 2,496 0.694,497 1.191,498 0.669,499 1.082,500 0.626,501 0.918,502 0.587,503 0.993,504 0.603,505 0.897,506 0.494,507 0.784,508 0.979,509 1.218,510 0.966,511 1.186,512 0.919,513 1.094,514 1.185,515 0.738,516 1.084,517 0.643,518 1.142,519 0.779,520 0.663,521 0.931,522 0.765,523 0.908,524 0.597,525 0.872,526 0.655,527 0.9,528 0.854,529 0.899,530 0.55,531 0.917,532 0.902,533 1.221,534 1.058,535 1.266,536 0.854,537 1.222,538 0.935,539 1.038,540 1.104,541 1.175,542 0.963,543 1.197,544 8,545 0.35,546 4.667,547 2.667,548 2.189,549 1.504,550 0.915,551 0.78,552 0.528,553 0.395,554 12438,555 42967,556 2.019,557 38.5,558 6,559 6,560 1,561 2,562 2,563 3,567 1.751,568 1.837,569 3.353,570 0.27,572 1,577 92.367,578 1.776,579 4.091,580 5.003,581 5.234,582 5.234,583 5.234,584 2.871,585 4.688,586 4.969,587 3.567,588 1769.45,589 8.731,590 25015.3,592 1,594 1,595 296.423,596 1.693,597 4.896,598 0.229,599 0.012,600 0.09,601 0.048,602 0.043,603 0.028,604 0.016,605 0.016,606 0.014,607 0.012,608 0.509,609 0.17,610 1,611 1.261,612 165.312,613 -0.079,614 -0.186,615 0.022,616 -0.058,617 -0.08,618 -0.003,619 0.098,620 -0.026,621 0.205,622 0.086,623 0.12,624 0.156,625 -0.109,626 -0.182,627 -0.107,628 -0.209,629 -0.079,630 -0.17,631 -0.112,632 0.15,633 -0.064,634 0.265,635 -0.08,636 0.152,637 0.01,638 -0.037,639 0.127,640 0.065,641 -0.012,642 0.116,643 0.101,644 0.089,645 -0.003,646 0.031,647 0.095,648 -0.01,649 -0.047,650 -0.163,651 -0.167,652 -0.269,653 -0.042,654 -0.259,655 0.022,656 -0.054,657 -0.08,658 -0.187,659 -0.022,660 -0.18,661 2.625,662 6.662,663 0.656,664 31.633,665 1.026,666 1.142,667 3.048,668 9.292,669 0.671,670 3.584,671 3.97,672 4.248,673 4.511,674 4.804,675 4.99,676 5.159,677 5.342,678 5.442,679 5.493,680 6.571,681 0.664,682 438.48,683 3.584,684 5.165,685 6.033,686 6.94,687 7.835,688 8.749,689 9.655,690 10.575,691 11.488,692 12.412,693 11.5,698 1,701 1,703 4,708 1,709 7,710 4,714 8,716 22,728 1,734 2,735 52,737 23,738 1,739 35,741 55,742 22,743 16,744 3,745 3,748 4,749 5,754 3,755 1,762 17,763 5,767 1,772 1,776 1,780 1,781 2,783 20,784 9,785 2,786 10,789 1,792 6,797 0.75,798 2,806 1,810 1,815 1,816 3,819 1,831 1,841 1,843 3,847 3,849 2,851 32,857 1,858 1,860 1,865 1,873 2,874 3.8,876 1,877 1,881 17.417,882 10.486,883 6.819,884 2.951,886 4.399,887 1.55,888 0.963,889 5.619,890 12.399,891 3.871,892 4.546,893 5.173,894 5.813,895 6.437,896 6.9,897 7.408,898 7.932,899 8.322,900 8.685,901 1,902 55,903 11.906,905 5.29,906 8.154,907 21.67,909 17.733,911 2.654,912 84.917,915 1,916 211.88,917 130.607,918 86.439,920 67.828,921 29.92,923 130.607,924 279.708,925 116.36,926 26.476,927 2.106,928 46.952,929 179.149,930 49.079,931 46.347,932 176.567,934 211.88,935 217.047,936 97.748,939 241.8,940 67.828,943 59.847,944 72.047,945 85.153,947 241.8,948 154.268,949 130.607,952 211.88,953 39.085,954 92.809,955 18.011,956 164.891,957 211.88,958 184.188,959 130.607,961 0.602,962 0.352,963 0.172,964 0.099,965 26,966 13,967 0.109,968 6,969 1,970 1.095,971 4.051,972 307.71,973 0.095,974 21,975 158,981 21.79,982 8.251,983 4.199,984 0.501,985 182.901,986 9.711,987 17.463,991 0.672,993 60.694,994 526.675,995 47,1000 11.371,1004 -0.958,1007 53.36,1008 59.41,1009 0.312,1010 0.718,1011 0.878,1012 0.918,1013 0.918,1014 0.918,1015 5.139,1016 1.695,1017 6.08,1018 5.318,1019 4.654,1020 5.234,1021 2.291,1022 6.973,1023 4.556,1024 6.401,1025 1.438,1026 7.704,1027 4.818,1028 4.511,1029 5.223,1030 2.243,1031 8.199,1032 4.387,1033 7.751,1034 1.414,1035 9.437,1036 3.574,1037 6.372,1038 7.527,1039 3.63,1040 11.26,1041 6.202,1042 9.138,1043 1.243,1044 11.234,1045 3.37,1046 7.013,1047 8.305,1048 4.112,1049 13.284,1050 6.832,1051 10.555,1052 1.1,1053 13.073,1054 3.134,1055 8.424,1056 10.137,1057 5.201,1058 15.938,1059 8.206,1060 11.995,1061 0.741,1062 14.94,1063 2.632,1064 9.39,1065 11.294,1066 5.889,1067 18.253,1068 9.161,1069 13.453,1070 0.574,1071 16.828,1072 1.972,1073 10.651,1074 12.938,1075 6.849,1076 20.79,1077 10.393,1078 3.365,1079 0.05,1080 18.732,1081 1.362,1082 11.751,1083 14.287,1084 7.625,1085 23.213,1086 11.479,1087 3.332,1088 12.286,1089 20.647,1090 0.124,1091 12.964,1092 15.856,1093 8.526,1094 25.715,1095 12.668,1096 2.86,1097 11.928,1098 22.572,1099 4.727,1100 14.12,1101 17.302,1102 9.342,1103 28.18,1104 13.807,1105 2.698,1106 9.573,1107 24.504,1108 3.942,1109 15.319,1110 18.846,1111 10.216,1112 30.674,1113 14.985,1114 2.372,1115 8.601,1116 26.442,1117 3.727,1118 16.5,1119 20.341,1120 11.051,1121 33.156,1122 16.148,1123 2.144,1124 7.047,1125 28.385,1126 3.521,1127 17.698,1128 21.88,1129 11.912,1130 35.65,1131 17.326,1132 1.802,1133 6.233,1134 30.331,1135 3.207,1136 18.891,1137 23.4,1138 12.755,1139 38.139,1140 18.499,1141 12181,1142 22776,1143 22.482,1144 34.909,1145 54.42,1146 55.263,1147 56.361,1148 53.697,1149 53.66,1150 71.573,1151 5.482,1152 163.947,1153 50.854,1154 5.645,1155 5.982,1156 6.756,1157 5.406,1158 5.365,1159 7.727,1160 3.925,1161 19.882,1162 5.32,1163 19.989,1164 1.555,1165 1.579,1166 1.61,1167 1.534,1168 1.533,1169 2.045,1170 0.157,1171 4.684,1172 1.453,1173 4.161,1174 4.206,1175 4.145,1176 4.015,1177 8.211,1178 4.041,1179 3.866,1180 3.901,1181 3.833,1182 3.763,1183 8.191,1184 3.775,1185 3.845,1186 3.893,1187 3.784,1188 3.676,1189 7.473,1190 3.691,1191 3.723,1192 3.766,1193 3.651,1194 3.573,1195 6.351,1196 3.587,1197 3.328,1198 3.393,1199 3.266,1200 3.155,1201 5.121,1202 3.172,1203 3.158,1204 3.235,1205 3.033,1206 3.004,1207 4.941,1208 2.993,1209 3.131,1210 3.204,1211 2.994,1212 2.864,1213 4.558,1214 2.883,1215 3.017,1216 3.046,1217 2.869,1218 2.733,1219 4.331,1220 2.735,1221 0.136,1222 0.114,1223 0.206,1224 0.124,1225 0.096,1226 4.774,1227 0.135,1228 3.982,1229 0.067,1230 7.207,1231 0.351,1232 4.332,1233 0.095,1234 3.365,1235 4.727,1236 2.341,1237 12.286,1238 3.32,1239 1.923,1240 1.896,1241 1.992,1242 2.085,1243 1.217,1244 2.056,1245 1.865,1246 1.824,1247 1.963,1248 1.998,1249 1.112,1250 1.983,1251 1.78,1252 1.733,1253 1.944,1254 1.964,1255 1.026,1256 1.96,1257 1.687,1258 1.645,1259 1.805,1260 1.857,1261 0.827,1262 1.847,1263 1.32,1264 1.269,1265 1.548,1266 1.518,1267 0.605,1268 1.524,1269 1.116,1270 1.039,1271 1.417,1272 1.374,1273 0.531,1274 1.392,1275 1.058,1276 0.971,1277 1.409,1278 1.305,1279 0.469,1280 1.308,1281 0.934,1282 0.817,1283 1.264,1284 1.275,1285 0.349,1286 1.302,1287 4.263,1289 5.631,1290 2.398,1291 7.189,1292 4.844,1293 8.832,1294 7.081,1295 10.518,1297 4.946,1299 28.162,1302 9.316,1303 0.099,1305 2.937,1310 -1.034,1314 34.539,1315 92.367,1316 212.718,1317 260.158,1318 272.158,1319 272.158,1320 272.158,1321 81.796,1322 8,1323 105.3,1324 105.3,1325 23,1326 12.92,1327 4.585,1328 3.7,1329 51.511,1330 120,1331 134,1332 0.204,1333 211.182,1334 362.8,1335 507.043,1336 32792,1337 3.8,1338 23.043,1339 0.72,1340 0.55,1341 21.303,1342 17.596,1343 15.17,1344 0.433,1345 0.279,1346 9.584,1347 14.389,1348 9.291,1349 7.723,1350 14.365,1351 9.77,1352 14.747,1353 0.284,1354 0.153,1355 13.586,1356 7.948,1357 12.186,1358 0.177,1359 0.073,1360 11.394,1361 5.07,1362 9.493,1363 0.105,1364 0.035,1365 8.777,1366 3.168,1367 7.91,1368 0.065,1369 0.018,1370 7.54,1371 2.188,1372 0.312,1373 96.62,1374 0.211,1375 29.311,1376 0.582,1377 174,1378 662.666,1379 198.329,1380 589.062,1381 785.91,1382 546,1383 208,1384 573.46,1385 232.349,1386 567.683,1387 834.46,1388 532,1389 5.1}
{0 CHEMBL1971172,1 1.803,2 10.963,3 2.713,4 7.362,5 109.284,6 8.326,7 0.552,8 3.99,9 4.106,10 3.79,11 3.555,12 5.045,13 3.506,14 4.538,15 4.708,16 4.072,17 3.94,18 5.826,19 3.885,20 4.788,21 4.98,22 4.002,23 4.073,24 5.859,25 3.971,26 4.933,27 5.213,28 4.032,29 4.081,30 5.832,31 3.941,32 4.793,33 5.017,34 4.06,35 4.059,36 5.823,37 3.933,38 4.835,39 5.038,40 3.994,41 3.989,42 6.056,43 3.876,44 4.725,45 4.999,46 3.93,47 3.88,48 5.682,49 3.728,50 4.475,51 4.674,52 3.751,53 3.752,54 5.633,55 3.602,56 0.115,57 0.775,58 11.895,59 4.544,60 17.349,61 5.569,62 0.456,63 1.194,64 23.137,65 7.914,66 64.683,67 9.989,68 0.403,69 1.42,70 27.926,71 9.778,72 62.346,73 12.605,74 0.629,75 1.491,76 37.86,77 11.185,78 72.031,79 15.5,80 0.354,81 1.364,82 38.948,83 11.666,84 47.473,85 14.542,86 0.827,87 1.303,88 34.276,89 9.664,90 109.705,91 12.056,92 0.499,93 1.136,94 34.293,95 9.683,96 55.567,97 13.361,98 0.441,99 0.911,100 31.02,101 8.172,102 50.997,103 10.27,104 43,105 43,106 0.304,107 0.65,108 0.808,109 0.849,110 0.849,111 0.849,112 3.34,113 1.105,114 -3.35,115 -3.33,116 -3.19,119 36.7,120 2,123 1,124 1,125 2,142 4,143 3,145 1,147 2,151 1,161 1,172 8,174 1,175 5,178 4,180 5,183 8,188 3,193 7,196 5,200 5,204 1,205 6,208 6,213 9,218 1,221 6,225 1,228 4,229 1,230 3,233 6,237 1,238 2,241 1,243 2,246 8,249 2,250 2,255 4,258 3,264 3,269 3,272 3,276 1133,277 17.187,278 17.187,279 17.187,280 17.187,281 17.187,282 14.968,283 12.799,284 9.854,285 17.67,286 14.332,287 14.332,288 14.332,289 14.332,290 14.332,291 10.899,292 17.882,293 4.722,294 15.193,295 3.812,296 1.763,297 0.822,298 0.577,299 0.577,300 0.577,301 4.013,303 1,305 1,306 1,307 622,308 4.359,311 59.378,312 167.478,315 112.237,319 1.674,320 29.617,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 58.833,332 296,333 4.628,334 4.307,335 6.722,336 4.212,337 3.232,338 4.535,339 0.4,340 10.934,341 3.18,342 4.6,343 3.232,344 6.713,345 4.146,346 3.165,347 4.424,349 10.909,350 3.109,351 4.196,352 3.182,353 6.374,354 3.984,355 3.04,356 3.814,358 9.898,359 2.833,360 4.112,361 2.95,362 5.853,363 3.647,364 2.713,365 3.179,367 8.268,368 2.538,369 3.557,370 2.431,371 5.358,372 3.131,373 2.187,374 2.937,376 6.773,377 2.056,378 3.29,379 2.25,380 4.794,381 2.823,382 1.965,383 2.538,385 5.393,386 1.615,387 3.046,388 1.547,389 4.503,390 2.513,391 1.547,392 2.319,394 4.24,395 1.49,396 2.921,397 1.478,398 4.007,399 2.391,400 1.442,401 2.118,403 3.449,404 1.341,405 2.526,406 1.276,407 3.733,408 1.999,409 1.033,410 1.539,412 2.564,413 0.992,414 1.976,415 1.047,416 3.564,417 1.738,418 0.809,419 0.865,421 1.989,422 0.748,423 1.907,424 0.852,425 3.201,426 1.457,427 0.524,428 0.72,430 1.249,431 0.486,432 1.624,433 0.491,434 3.094,435 1.419,436 0.479,437 0.55,439 1.161,440 0.449,441 1,442 0.411,443 2.745,444 0.457,445 -0.387,446 -0.491,448 -0.993,449 -0.249,450 0.958,451 0.208,452 2.565,453 0.424,454 -0.524,455 -0.668,457 -1.516,458 -0.498,459 0.846,460 -0.434,461 2.509,462 0.148,463 -0.776,464 -0.954,466 -1.971,467 -0.686,468 13.214,469 0.489,470 1.043,471 0.039,472 35,473 1.296,474 17.5,475 0.648,476 17.5,477 0.648,478 24.552,479 0.909,480 29.986,481 0.612,482 25.495,483 0.944,484 6.421,485 0.238,486 6.208,487 0.23,488 0.218,489 0.101,490 0.227,496 0.624,497 1.462,498 0.727,499 1.19,500 0.7,501 0.954,502 0.584,503 1.059,504 0.844,505 1.004,506 0.454,507 0.864,508 1.146,509 1.303,510 0.979,511 1.097,512 1.155,513 1.201,514 0.835,515 0.677,516 0.663,517 0.586,518 0.689,519 0.719,520 0.797,521 1.199,522 1.173,523 1.277,524 0.627,525 1.004,526 1.636,527 0.947,528 1.23,529 0.943,530 1.943,531 1.151,532 0.764,533 0.764,534 0.844,535 0.733,536 0.612,537 0.795,538 1.088,539 1.082,540 1.76,541 1.35,542 0.797,543 1.299,544 8.5,545 0.169,546 3.111,547 1.757,548 1.881,549 0.694,550 0.701,551 0.484,552 0.302,553 0.334,554 8584,555 28027,556 1.975,557 44.9,558 6,559 11,560 1,561 1,562 3,567 1.7,568 1.8,569 3.393,570 1.018,571 1,572 1,577 88.345,578 1.803,579 3.852,580 4.793,581 5.038,582 5.038,583 5.038,584 2.908,585 4.431,586 4.727,587 3.612,588 1267.95,589 8.202,590 16495,592 1,594 1,595 275.121,596 1.75,597 4.642,598 0.293,599 0.008,600 0.072,601 0.046,602 0.052,603 0.018,604 0.022,605 0.017,606 0.012,607 0.015,608 0.555,609 0.33,610 1,611 1.715,612 134.581,613 0.037,614 -0.181,615 0.142,616 -0.072,617 -0.168,618 0.023,619 0.276,620 0.093,621 0.019,622 0.012,623 0.363,624 0.093,625 -0.225,626 -0.257,627 -0.205,628 -0.19,629 -0.194,630 -0.256,631 -0.037,632 0.257,633 0.166,634 0.29,635 -0.039,636 0.256,637 -0.005,638 -0.194,639 -0.047,640 -0.137,641 0.096,642 0.037,643 -0.233,644 0.018,645 -0.251,646 -0.07,647 -0.353,648 -0.245,649 0.076,650 0.114,651 0.2,652 0.191,653 0.045,654 0.217,655 -0.035,656 -0.127,657 -0.329,658 -0.284,659 0.034,660 -0.277,661 4.145,662 4.311,663 0.556,664 24.409,665 1.011,666 1.133,667 2.117,668 4.481,669 0.68,670 3.401,671 3.784,672 3.912,673 4.174,674 4.419,675 4.419,676 4.564,677 4.682,678 4.691,679 4.736,680 6.629,681 0.639,682 407.97,683 3.401,684 4.977,685 5.796,686 6.698,687 7.544,688 8.442,689 9.302,690 10.198,691 11.068,692 11.961,693 10.2,695 1,698 1,701 1,703 2,708 2,709 6,710 2,711 1,714 4,716 16,728 1,734 1,735 49,737 18,739 29,741 51,742 18,743 12,748 3,749 4,750 1,754 2,755 1,762 12,763 6,767 2,770 1,772 2,780 1,783 22,784 6,785 3,786 9,787 2,792 5,797 0.667,798 2,809 2,811 1,815 1,816 2,819 1,843 2,845 1,847 3,848 1,851 27,855 1,858 2,860 2,865 1,873 1,874 4.1,877 2,881 15,882 9.543,883 5.625,884 2.634,886 3.304,887 1.456,888 0.973,889 5.656,890 10.55,891 3.689,892 4.366,893 4.819,894 5.444,895 5.993,896 6.322,897 6.772,898 7.221,899 7.43,900 7.784,901 1,902 38,903 10.097,905 4.42,906 7.899,907 18.885,909 15.592,911 2.399,912 64.778,915 1,916 223.651,917 106.919,918 84.772,919 39.149,920 44.313,922 5.807,923 101.111,924 307.113,925 84.772,926 24.841,927 4.211,928 69.165,929 109.381,930 34.777,931 56.319,932 200.109,934 223.651,935 185.883,936 44.313,937 44.956,939 223.651,940 44.313,943 65.815,944 68.487,945 57.389,946 39.149,947 223.651,948 129.085,949 146.067,951 5.807,952 223.651,953 20.271,954 80.841,955 51.201,956 117.033,957 223.651,958 129.085,959 146.067,961 0.602,962 0.305,963 0.156,964 0.098,965 21,966 10,967 0.137,968 7,969 1,970 1.133,971 3.787,972 224.762,973 0.133,974 15,975 124.382,980 1,981 19.93,982 7.663,983 5.345,984 1.811,985 112.3,986 11.24,987 8.631,988 3.153,991 2.913,993 51.201,994 498.803,995 39,998 -3.228,1000 22.621,1007 49.516,1008 55.511,1009 0.321,1010 0.686,1011 0.854,1012 0.897,1013 0.897,1014 0.897,1015 4.956,1016 1.442,1017 5.872,1018 4.24,1019 4.466,1020 5.053,1021 0.278,1022 6.732,1023 4.362,1024 6.236,1025 1.033,1026 7.474,1027 3.449,1028 4.443,1029 5.255,1031 8.038,1032 4.297,1033 7.611,1034 0.809,1035 9.183,1036 2.564,1037 6.213,1038 7.415,1039 0.05,1040 10.925,1041 6.042,1042 9.019,1043 0.524,1044 10.952,1045 1.989,1046 6.899,1047 8.347,1049 12.924,1050 6.703,1051 10.455,1052 0.479,1053 12.758,1054 1.249,1055 8.26,1056 10.091,1057 0.008,1058 15.449,1059 8.04,1060 11.908,1061 -0.387,1062 14.587,1063 1.161,1064 9.218,1065 11.332,1067 17.681,1068 8.98,1069 13.374,1070 -0.524,1071 16.431,1072 -0.993,1073 10.441,1074 12.925,1075 0.001,1076 20.103,1077 10.18,1078 3.232,1079 -0.776,1080 18.286,1081 -1.516,1082 11.51,1083 14.303,1085 22.421,1086 11.231,1087 3.165,1088 10.934,1089 20.15,1090 -1.971,1091 12.683,1092 15.837,1094 24.811,1095 12.384,1096 3.04,1097 10.909,1098 22.019,1099 4.535,1100 13.798,1101 17.278,1103 27.164,1104 13.483,1105 2.713,1106 9.898,1107 23.893,1108 4.424,1109 14.954,1110 18.788,1112 29.546,1113 14.621,1114 2.187,1115 8.268,1116 25.771,1117 3.814,1118 16.089,1119 20.259,1121 31.913,1122 15.74,1123 1.965,1124 6.773,1125 27.652,1126 3.179,1127 17.241,1128 21.761,1130 34.294,1131 16.876,1132 1.547,1133 5.393,1134 29.535,1135 2.937,1136 18.385,1137 23.246,1139 36.669,1140 18.005,1141 8503,1142 15485,1143 18.375,1144 33.296,1145 44.491,1146 45.812,1147 44.657,1148 44.409,1149 44.27,1150 59.076,1151 0.8,1152 133.655,1153 41.671,1154 5.543,1155 6.307,1156 6.403,1157 5.26,1158 5.232,1159 7.535,1160 0.8,1161 18.114,1162 5.128,1163 16.526,1164 1.534,1165 1.58,1166 1.54,1167 1.531,1168 1.527,1169 2.037,1170 0.028,1171 4.609,1172 1.437,1173 4.131,1174 4.168,1175 4.714,1176 4.034,1177 7.718,1178 4.043,1179 3.981,1180 3.974,1181 4.116,1182 3.933,1183 6.999,1184 3.807,1185 3.835,1186 3.863,1187 3.92,1188 3.714,1189 5.102,1190 3.713,1191 3.69,1192 3.723,1193 3.631,1194 3.594,1195 4.988,1196 3.561,1197 3.366,1198 3.431,1199 3.367,1200 3.218,1201 4.446,1202 3.223,1203 3.121,1204 3.213,1205 3.231,1206 2.914,1207 4.365,1208 2.913,1209 2.933,1210 3.061,1211 2.924,1212 2.712,1213 4.249,1214 2.725,1215 2.888,1216 3.009,1217 2.686,1218 2.659,1219 3.954,1220 2.637,1221 0.16,1222 0.149,1223 0.232,1224 0.145,1225 0.111,1226 4.628,1227 0.156,1228 4.307,1229 0.014,1230 6.722,1231 0.377,1232 4.212,1233 0.11,1234 3.232,1235 4.535,1236 0.4,1237 10.934,1238 3.18,1239 1.932,1240 1.909,1241 2.023,1242 2.037,1243 1.322,1244 2.047,1245 1.835,1246 1.816,1247 1.977,1248 1.989,1249 1.127,1250 2.002,1251 1.767,1252 1.74,1253 1.853,1254 1.92,1255 0.964,1256 1.924,1257 1.64,1258 1.633,1259 1.619,1260 1.787,1261 0.903,1262 1.843,1263 1.39,1264 1.327,1265 1.542,1266 1.62,1267 0.587,1268 1.609,1269 1.085,1270 1.003,1271 1.417,1272 1.356,1273 0.504,1274 1.374,1275 0.987,1276 0.939,1277 1.386,1278 1.263,1279 0.486,1280 1.308,1281 0.944,1282 0.821,1283 1.356,1284 1.239,1285 0.469,1286 1.308,1287 4.078,1289 5.442,1290 2.398,1291 6.967,1292 4.727,1293 8.562,1294 6.843,1295 10.198,1297 5.085,1298 6.22,1303 0.845,1305 5.795,1310 -0.308,1314 31.292,1315 88.345,1316 188.75,1317 234.856,1318 246.856,1319 246.856,1320 246.856,1321 57.651,1322 7.246,1323 99.77,1324 108.15,1325 17,1326 12.492,1327 4.248,1328 3.459,1329 47.059,1330 107,1331 97,1332 0.214,1333 202.188,1334 338,1335 485.1,1336 13351,1337 2,1338 19.656,1339 0.728,1340 0.628,1341 20.406,1342 16.948,1343 12.629,1344 0.435,1345 0.368,1346 8.495,1347 11.132,1348 7.951,1349 6.672,1350 13.844,1351 10.685,1352 13.152,1353 0.306,1354 0.221,1355 14.965,1356 9.497,1357 8.852,1358 0.181,1359 0.102,1360 9.525,1361 4.98,1362 7.186,1363 0.112,1364 0.055,1365 7.86,1366 3.518,1367 6.314,1368 0.077,1369 0.035,1370 7.095,1371 2.84,1372 0.338,1373 91.413,1374 0.233,1375 26.003,1376 0.582,1377 144,1378 430.824,1379 203.391,1380 471.507,1381 623.72,1382 432,1383 164,1384 410.318,1385 222.468,1386 461.251,1387 659.65,1388 427,1389 6}
{0 CHEMBL1971186,1 1.668,2 10.607,3 3.052,4 9.313,5 103.571,6 8.052,7 0.656,8 3.996,9 4.117,10 3.639,11 3.506,12 5.122,13 3.521,14 4.535,15 4.702,16 4.016,17 3.911,18 5.665,19 3.902,20 4.774,21 5.007,22 3.985,23 3.997,24 5.788,25 3.951,26 4.73,27 4.972,28 3.936,29 3.936,30 5.735,31 3.891,32 4.669,33 4.887,34 4.01,35 3.941,36 5.736,37 3.924,38 4.664,39 4.851,40 4.001,41 3.954,42 5.828,43 3.93,44 4.659,45 4.869,46 3.838,47 3.882,48 5.723,49 3.817,50 4.582,51 4.826,52 3.676,53 3.729,54 5.667,55 3.653,56 0.081,57 0.837,58 8.466,59 3.812,60 7.635,61 4.737,62 0.369,63 1.343,64 16.817,65 6.542,66 25.621,67 8.407,68 0.444,69 1.555,70 25.564,71 8.512,72 43.581,73 11.635,74 0.448,75 1.457,76 24.766,77 7.842,78 41.439,79 11.039,80 0.435,81 1.389,82 21.906,83 6.875,84 32.52,85 9.601,86 0.477,87 1.432,88 20.407,89 7.131,90 39.523,91 9.167,92 0.451,93 1.371,94 21.704,95 7.907,96 32.313,97 10.611,98 0.517,99 1.251,100 21.859,101 7.197,102 48.111,103 10.032,104 2,105 45,106 0.281,107 0.659,108 0.807,109 0.834,110 0.834,111 0.834,112 3.375,113 0.872,114 -4.22,115 -4.16,116 -3.93,119 42.6,121 2,125 2,127 1,142 5,143 1,144 1,145 1,146 2,150 1,151 2,152 1,162 1,172 4,174 4,175 3,178 2,180 4,183 5,187 1,188 4,196 2,199 1,200 11,204 1,205 1,208 1,212 2,213 7,216 1,221 2,224 1,225 5,228 3,230 1,233 4,237 1,238 4,241 1,243 2,250 4,255 3,258 2,264 2,267 1,272 4,276 1300,277 19.516,278 19.516,279 19.516,280 19.516,281 19.516,282 17.115,283 17.439,284 11.647,285 19.986,286 15.869,287 15.869,288 15.869,289 15.869,290 15.869,291 12.26,292 30.662,293 5.602,294 16.689,295 3.886,296 1.636,297 0.758,298 0.596,299 0.596,300 0.596,301 4.09,304 1,305 1,306 1,307 666,308 2.345,311 120.737,312 236.896,314 98.694,319 1.536,320 27.597,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 61.5,332 297,333 4.736,334 3.328,335 7.02,336 4.276,337 3.325,338 4.679,339 0.4,340 12.057,341 3.167,342 4.065,343 2.912,344 5.998,345 3.662,346 2.723,347 3.711,348 0.4,349 8.454,350 2.582,351 4.062,352 2.852,353 5.808,354 3.604,355 2.64,356 3.667,358 8.147,359 2.521,360 3.678,361 2.515,362 5.517,363 3.414,364 2.45,365 3.08,367 7.335,368 2.357,369 3.537,370 2.478,371 5.084,372 3.176,373 2.235,374 2.783,376 6.14,377 2.087,378 3.312,379 2.139,380 5.002,381 2.972,382 2.033,383 2.428,385 5.894,386 1.9,387 2.904,388 1.729,389 4.533,390 2.446,391 1.499,392 2.097,394 4.231,395 1.419,396 2.887,397 1.475,398 4.402,399 2.355,400 1.414,401 2.048,403 3.962,404 1.325,405 2.626,406 1.419,407 3.601,408 2.283,409 1.343,410 1.685,412 3.027,413 1.257,414 2.5,415 1.142,416 3.492,417 2.068,418 1.132,419 1.5,421 2.57,422 1.057,423 2.436,424 1.077,425 3.438,426 2,427 1,428 1.421,430 2.275,431 1,432 2.423,433 1,434 3.414,435 1.984,436 1,437 1.405,439 2.253,440 0.983,441 2,442 0.985,443 3.248,444 1.92,445 0.951,446 1,448 2.136,449 0.918,450 1.698,451 0.361,452 3.247,453 1.191,454 0.241,455 0.344,457 0.679,458 0.228,459 1.169,460 0.206,461 2.794,462 0.929,468 13.019,469 0.465,470 0.568,471 0.02,472 38.5,473 1.375,474 18.5,475 0.661,476 20,477 0.714,478 21.061,479 0.752,480 29.581,481 0.629,482 27.867,483 0.995,484 7.509,485 0.268,486 6.267,487 0.224,488 0.022,490 0.338,494 1,496 0.782,497 1.282,498 0.69,499 1.088,500 0.568,501 0.905,502 0.735,503 1.016,504 0.843,505 1.012,506 0.561,507 0.964,508 0.946,509 1.006,510 0.908,511 0.918,512 0.852,513 0.898,514 0.861,515 0.928,516 0.875,517 0.857,518 0.782,519 0.851,520 0.808,521 0.81,522 0.817,523 0.765,524 0.529,525 0.763,526 0.992,527 0.878,528 1.061,529 1.019,530 0.695,531 1.043,532 0.84,533 1.071,534 1.047,535 1.189,536 0.803,537 1.179,538 0.795,539 1.005,540 0.979,541 1.036,542 0.78,543 1.042,544 4.5,545 0.048,546 2.444,547 1.757,548 1.451,549 0.699,550 0.482,551 0.484,552 0.265,553 0.159,554 10046,555 27192,556 2.223,557 40.4,559 10,560 2,561 1,562 2,565 4,567 1.715,568 2.154,569 3.354,570 0.282,571 1,572 1,577 78.407,578 1.668,579 3.919,580 4.797,581 4.959,582 4.959,583 4.959,584 2.856,585 4.28,586 4.776,587 3.493,588 1320.41,589 8.332,590 16964.4,592 1,594 1,595 261.066,596 1.108,597 4.769,598 0.141,599 0.003,600 0.054,601 0.041,602 0.035,603 0.016,604 0.011,605 0.014,606 0.009,607 0.006,608 0.33,609 0.33,610 0.88,611 0.343,612 138.819,613 -0.074,614 -0.225,615 0.059,616 -0.09,617 -0.021,618 -0.003,619 0.099,620 -0.004,621 -0.001,622 -0.053,623 0.086,624 -0.057,625 -0.085,626 -0.053,627 0.056,628 0.052,629 -0.004,630 0.084,631 -0.056,632 -0.006,633 0.093,634 0.09,635 -0.029,636 0.124,637 -0.035,638 0.083,639 0.102,640 0.154,641 -0.004,642 0.169,643 -0.053,644 0.085,645 -0.171,646 -0.083,647 -0.007,648 -0.141,649 0.06,650 -0.146,651 -0.107,652 -0.199,653 -0.021,654 -0.2,655 0.14,656 -0.057,657 0.025,658 -0.055,659 0.178,660 -0.04,661 1.955,662 5.368,663 0.929,664 25.561,665 1.014,666 1.137,667 2.992,668 8.955,669 0.676,670 3.497,671 3.829,672 4.143,673 4.477,674 4.727,675 4.86,676 5.043,677 5.187,678 5.298,679 5.338,680 6.155,681 0.658,682 378.45,683 3.497,684 5.043,685 5.911,686 6.804,687 7.693,688 8.597,689 9.498,690 10.41,691 11.318,692 12.234,693 12.8,695 1,698 1,701 1,703 3,708 1,709 8,710 3,712 1,714 6,716 21,728 1,734 1,735 47,737 21,738 1,739 32,741 51,742 20,743 15,744 2,745 4,748 5,749 6,757 3,760 3,762 15,763 5,779 1,780 1,781 1,783 19,784 7,785 2,786 8,789 1,792 6,797 0.8,798 1,802 1,810 1,815 2,816 3,818 1,838 1,843 4,849 1,851 28,858 4,860 2,863 1,873 1,874 2.1,879 1,881 13,882 8.36,883 6.056,884 2.894,886 4.083,887 1.511,888 1.044,889 4.55,890 12.066,891 3.773,892 4.407,893 5.058,894 5.735,895 6.294,896 6.743,897 7.264,898 7.684,899 8.123,900 8.435,901 1,902 43,903 10.344,905 4.514,906 7.732,907 19.803,909 16.662,911 2.232,912 62.5,915 1,916 200.109,917 112.951,918 87.665,920 9.507,921 14.96,923 112.951,924 209.616,925 102.625,927 9.28,928 86.179,929 80.138,930 41.64,931 43.158,932 164.795,934 200.109,935 200.615,936 24.467,939 167.984,940 56.592,943 49.016,944 83.231,945 68.367,947 215.069,948 97.172,949 112.951,952 200.109,953 35.735,954 78.502,955 36.022,956 74.824,957 200.109,958 112.132,959 112.951,961 0.578,962 0.338,963 0.194,964 0.11,965 24,966 9,967 0.078,968 4,969 1,970 1.077,971 4.038,972 258.533,973 0.077,974 26,975 126.606,981 17.352,982 7.342,983 3.425,984 0.459,985 110.846,986 13.208,987 13.682,989 5.469,991 3.287,993 36.022,994 425.191,995 42.5,1007 47.636,1008 53.445,1009 0.3,1010 0.705,1011 0.864,1012 0.893,1013 0.893,1014 0.893,1015 5.006,1016 1.414,1017 5.883,1018 4.231,1019 4.511,1020 5.094,1021 0.495,1022 6.708,1023 4.412,1024 6.208,1025 1.343,1026 7.438,1027 3.962,1028 4.007,1029 4.856,1031 7.621,1032 3.837,1033 7.516,1034 1.132,1035 9.095,1036 3.027,1037 6.103,1038 7.34,1039 0.097,1040 10.784,1041 5.907,1042 8.864,1043 1,1044 10.818,1045 2.57,1046 6.479,1047 8.024,1049 12.623,1050 6.215,1051 10.25,1052 1,1053 12.586,1054 2.275,1055 8.003,1056 9.931,1057 0.016,1058 15.307,1059 7.712,1060 11.665,1061 0.951,1062 14.387,1063 2.253,1064 8.798,1065 11.056,1067 17.536,1068 8.444,1069 13.103,1070 0.241,1071 16.214,1072 2.136,1073 10.097,1074 12.732,1075 0.003,1076 20.078,1077 9.709,1078 3.325,1080 18.061,1081 0.679,1082 11.098,1083 14.072,1085 22.466,1086 10.652,1087 2.723,1088 12.057,1089 19.924,1091 12.313,1092 15.656,1094 24.966,1095 11.827,1096 2.64,1097 8.454,1098 21.802,1099 4.679,1100 13.414,1101 17.1,1103 27.416,1104 12.873,1105 2.45,1106 8.147,1107 23.691,1108 3.711,1109 14.603,1110 18.65,1112 29.907,1113 14.018,1114 2.235,1115 7.335,1116 25.59,1117 3.667,1118 15.752,1119 20.144,1121 32.381,1122 15.116,1123 2.033,1124 6.14,1125 27.497,1126 3.08,1127 16.937,1128 21.683,1130 34.869,1131 16.254,1132 1.499,1133 5.894,1134 29.41,1135 2.783,1136 18.109,1137 23.201,1139 37.352,1140 17.376,1141 9239,1142 15405,1143 22.364,1144 31.756,1145 48.54,1146 48.493,1147 48.855,1148 48.105,1149 47.976,1150 63.696,1151 1.6,1152 138.323,1153 45.601,1154 5.736,1155 5.328,1156 6.822,1157 5.35,1158 5.325,1159 7.679,1160 0.8,1161 19.41,1162 5.167,1163 7.117,1164 1.517,1165 1.515,1166 1.527,1167 1.503,1168 1.499,1169 1.991,1170 0.05,1171 4.323,1172 1.425,1173 4.17,1174 4.205,1175 4.153,1176 3.997,1177 8.201,1178 4.028,1179 3.876,1180 3.943,1181 3.807,1182 3.752,1183 5.266,1184 3.763,1185 3.854,1186 3.882,1187 3.792,1188 3.692,1189 4.975,1190 3.702,1191 3.724,1192 3.781,1193 3.634,1194 3.545,1195 4.646,1196 3.567,1197 3.214,1198 3.274,1199 3.161,1200 3.049,1201 4.396,1202 3.068,1203 3.126,1204 3.206,1205 2.996,1206 2.941,1207 4.24,1208 2.91,1209 3.111,1210 3.199,1211 2.866,1212 2.876,1213 3.976,1214 2.894,1215 2.854,1216 2.925,1217 2.728,1218 2.735,1219 3.913,1220 2.715,1221 0.148,1222 0.104,1223 0.219,1224 0.134,1225 0.104,1226 4.736,1227 0.146,1228 3.328,1229 0.013,1230 7.02,1231 0.377,1232 4.276,1233 0.099,1234 3.325,1235 4.679,1236 0.4,1237 12.057,1238 3.167,1239 1.921,1240 1.896,1241 2.037,1242 2.053,1243 1.378,1244 2.047,1245 1.836,1246 1.779,1247 2,1248 1.994,1249 1.11,1250 1.998,1251 1.745,1252 1.696,1253 1.845,1254 1.915,1255 0.91,1256 1.901,1257 1.47,1258 1.411,1259 1.598,1260 1.708,1261 0.825,1262 1.67,1263 1.313,1264 1.298,1265 1.513,1266 1.633,1267 0.644,1268 1.558,1269 1.153,1270 1.103,1271 1.373,1272 1.396,1273 0.557,1274 1.429,1275 1.141,1276 1.064,1277 1.348,1278 1.376,1279 0.32,1280 1.396,1281 1.061,1282 0.973,1283 1.223,1284 1.28,1285 0.258,1286 1.263,1287 4.174,1289 5.501,1290 3.045,1291 7.022,1292 5.416,1293 8.633,1294 7.535,1295 10.295,1299 13.368,1303 4.05,1305 6.778,1308 0.354,1314 30.914,1315 78.407,1316 184.172,1317 225.456,1318 233.066,1319 233.066,1320 233.066,1321 38.179,1322 7.983,1323 80.28,1324 80.28,1325 28,1326 12.747,1327 4.459,1328 3.524,1329 37.47,1330 99,1331 114,1332 0.179,1333 185.264,1334 306.26,1335 443.804,1336 34075,1337 2.1,1338 18.924,1339 0.676,1340 0.539,1341 18.054,1342 15.1,1343 13.776,1344 0.43,1345 0.291,1346 9.133,1347 13.114,1348 9.039,1349 7.43,1350 13.382,1351 9.299,1352 12.384,1353 0.275,1354 0.151,1355 11.762,1356 6.806,1357 10.707,1358 0.173,1359 0.08,1360 10.296,1361 4.95,1362 9.399,1363 0.108,1364 0.041,1365 9.248,1366 3.548,1367 7.768,1368 0.069,1369 0.022,1370 7.538,1371 2.417,1372 0.276,1373 87.147,1374 0.211,1375 26.438,1376 0.509,1377 154,1378 495.093,1379 173.834,1380 451.93,1381 627.91,1382 426,1383 184,1384 478.767,1385 203.831,1386 473.381,1387 701.67,1388 448,1389 5.1}
{0 CHEMBL1971245,1 1.556,2 12.531,3 3.213,4 10.325,5 122.951,6 7.653,7 0.611,8 4.147,9 4.283,10 3.747,11 3.648,12 5.268,13 3.65,14 4.671,15 4.861,16 4.117,17 4.04,18 5.782,19 4.026,20 4.905,21 5.119,22 4.157,23 4.202,24 5.942,25 4.149,26 4.977,27 5.213,28 4.137,29 4.217,30 5.966,31 4.139,32 4.969,33 5.218,34 4.129,35 4.176,36 6.031,37 4.111,38 4.893,39 5.115,40 4.076,41 4.105,42 6.04,43 4.051,44 4.844,45 5.094,46 3.861,47 3.995,48 5.896,49 3.898,50 4.705,51 4.977,52 3.725,53 3.851,54 5.639,55 3.77,56 0.046,57 0.936,58 11.039,59 4.228,60 9.225,61 5.871,62 0.324,63 1.475,64 21.085,65 6.904,66 30.869,67 9.922,68 0.424,69 1.734,70 28.178,71 9.262,72 40.661,73 13.329,74 0.352,75 1.779,76 31.338,77 10.915,78 33.806,79 16.011,80 0.436,81 1.735,82 32.107,83 10.243,84 49.847,85 15.215,86 0.407,87 1.642,88 28.569,89 8.998,90 52.196,91 12.9,92 0.478,93 1.481,94 28.623,95 9.076,96 60.742,97 13.432,98 0.353,99 1.291,100 25.672,101 7.258,102 37.869,103 11.2,104 11,105 51,106 0.252,107 0.603,108 0.76,109 0.852,110 0.864,111 0.864,112 3.502,113 0.874,114 -3.13,115 -3.13,116 -3.01,119 41.1,124 1,125 4,142 8,144 2,145 1,146 2,150 1,151 1,152 1,158 1,161 1,163 1,164 1,165 1,172 4,174 2,175 7,177 1,178 3,180 2,183 4,187 3,188 4,190 1,191 1,193 1,196 1,199 2,200 7,202 1,203 2,205 2,212 2,213 8,215 1,216 2,218 2,221 2,223 2,224 3,225 6,228 1,230 2,233 3,235 2,237 1,238 5,240 1,241 3,242 1,243 2,245 1,246 1,250 5,255 1,258 1,263 3,264 4,269 2,272 4,274 2,276 1714,277 21.878,278 21.878,279 21.878,280 21.878,281 21.878,282 19.216,283 24.418,284 12.905,285 22.419,286 17.82,287 17.82,288 17.82,289 17.82,290 17.82,291 13.771,292 40.887,293 6.161,294 18.736,295 4.251,296 2.085,297 1.121,298 0.549,299 0.478,300 0.478,301 4.213,305 1,306 1,307 889,308 3,311 67.621,312 381.615,315 129.411,319 1.873,320 25.756,323 1,324 0.83,325 1,326 0.8,328 1,329 1,330 0.8,331 69,332 401,333 4.719,334 3.578,335 7,336 4.257,337 3.306,338 4.651,339 0.98,340 11.96,341 3.147,342 4.197,343 3.157,344 6.175,345 3.863,346 2.916,347 3.776,348 0.8,349 9.204,350 2.767,351 4.033,352 3.097,353 5.874,354 3.598,355 2.672,356 3.636,357 0.8,358 8.138,359 2.476,360 3.831,361 2.822,362 5.725,363 3.417,364 2.45,365 3.255,366 0.4,367 7.684,368 2.372,369 3.649,370 2.631,371 5.47,372 3.367,373 2.401,374 2.886,376 7.081,377 2.3,378 3.427,379 2.429,380 5.09,381 3.158,382 2.223,383 2.684,385 6.172,386 2.071,387 3.267,388 2.114,389 4.969,390 2.92,391 1.978,392 2.357,394 5.784,395 1.857,396 3.003,397 1.725,398 4.557,399 2.477,400 1.523,401 2.225,403 4.368,404 1.461,405 2.957,406 1.593,407 4.234,408 2.468,409 1.484,410 2.152,412 3.817,413 1.444,414 2.752,415 1.469,416 4.014,417 2.349,418 1.388,419 1.843,421 3.256,422 1.33,423 2.662,424 1.311,425 3.588,426 2.138,427 1.186,428 1.73,430 2.691,431 1.126,432 2.534,433 1.176,434 3.5,435 2.086,436 1.101,437 1.473,439 2.528,440 1.083,441 2.466,442 1.146,443 3.474,444 1.976,445 1,446 1.458,448 2.454,449 0.966,450 2,451 1.138,452 3.414,453 1.967,454 1,455 1,457 2.275,458 0.965,459 1.982,460 0.516,461 3.272,462 1.45,463 0.498,464 0.733,466 1.297,467 0.473,468 15.033,469 0.47,470 0.763,471 0.024,472 45.25,473 1.414,474 22.5,475 0.703,476 22.75,477 0.711,478 24.407,479 0.763,480 33.567,481 0.599,482 35.713,483 1.116,484 9.062,485 0.283,486 6.518,487 0.204,488 0.082,490 0.346,496 0.913,497 1.532,498 0.761,499 1.108,500 0.723,501 0.935,502 0.922,503 1.1,504 0.845,505 0.9,506 0.466,507 0.857,508 1.041,509 1.014,510 1.009,511 0.958,512 0.816,513 0.971,514 0.693,515 1.105,516 0.88,517 1.081,518 0.632,519 1.02,520 0.871,521 0.943,522 0.841,523 0.887,524 0.703,525 0.858,526 1.253,527 1.111,528 1.071,529 1.079,530 1.405,531 1.056,532 0.949,533 1.005,534 1.052,535 1.042,536 1.093,537 1.064,538 1.141,539 0.875,540 0.957,541 0.755,542 0.837,543 0.802,544 6,545 0.198,546 3.111,547 2.417,548 1.864,549 0.896,550 0.791,551 0.405,552 0.243,553 0.2,554 14955,555 37038,556 2.154,557 42.9,559 19,560 1,561 1,562 3,567 1.745,568 2.043,569 3.578,570 0.884,572 1,577 87.131,578 1.556,579 3.722,580 4.687,581 5.258,582 5.33,583 5.33,584 3.028,585 4.563,586 4.974,587 3.754,588 1862.04,589 8.698,590 27075.8,592 1,595 325.212,596 1.317,597 4.943,598 0.167,599 0.007,600 0.061,601 0.046,602 0.037,603 0.018,604 0.017,605 0.011,606 0.007,607 0.006,608 0.378,609 0.33,610 0.88,611 0.633,612 168.085,613 -0.085,614 -0.318,615 0.061,616 -0.097,617 -0.083,618 -0.011,619 0.067,620 0.049,621 0.06,622 0.054,623 0.185,624 0.057,625 -0.052,626 0.052,627 -0.07,628 0.015,629 0.014,630 -0.023,631 0.129,632 -0.117,633 0.077,634 -0.074,635 0.092,636 -0.018,637 0.079,638 0.038,639 0.147,640 0.091,641 0.176,642 0.127,643 -0.081,644 -0.082,645 -0.098,646 -0.122,647 -0.072,648 -0.116,649 0.08,650 -0.043,651 -0.053,652 -0.07,653 -0.006,654 -0.084,655 -0.174,656 0.089,657 0.062,658 0.19,659 -0.08,660 0.174,661 2.267,662 5.028,663 0.844,664 30.695,665 1.004,666 1.134,667 1.903,668 3.622,669 0.671,670 3.611,671 3.951,672 4.248,673 4.564,674 4.836,675 4.905,676 5.024,677 5.165,678 5.204,679 5.288,680 7.274,681 0.645,682 428.55,683 3.611,684 5.165,685 6.028,686 6.921,687 7.805,688 8.704,689 9.597,690 10.499,691 11.396,692 12.3,693 14.3,696 1,699 1,700 1,701 2,703 3,708 1,709 10,710 3,714 6,716 22,722 1,728 1,730 1,735 56,737 23,738 1,739 36,741 60,742 23,743 17,744 2,745 4,746 1,748 5,749 6,762 18,763 5,767 1,772 1,776 1,780 1,783 24,784 8,785 3,786 9,789 1,792 8,797 0.8,798 1,809 1,810 1,815 1,816 4,819 1,839 1,843 4,847 1,851 32,852 1,858 4,860 1,864 2,874 1.8,877 1,881 15.667,882 10.283,883 6.917,884 3.237,886 4.56,887 1.546,888 1.031,889 5.578,890 12.914,891 3.892,892 4.514,893 5.134,894 5.786,895 6.378,896 6.722,897 7.162,898 7.624,899 7.9,900 8.252,901 1,902 52,903 11.797,905 5.06,906 7.682,907 22.605,909 18.676,911 2.182,912 69.833,915 1,916 247.193,917 132.827,918 108.8,920 25.145,923 132.827,924 272.338,925 108.8,926 8.396,927 41.32,928 84.857,929 93.693,930 45.62,931 16.427,932 223.651,934 247.193,935 241.626,936 25.145,939 247.193,940 25.145,943 81.917,944 109.353,945 50.357,947 247.193,948 133.945,949 132.827,952 247.193,953 30.526,954 109.836,955 18.011,956 108.399,957 247.193,958 133.945,959 132.827,961 0.583,962 0.34,963 0.194,964 0.116,965 26,966 11,967 0.083,968 5,969 1,970 1.074,971 4.325,972 303.999,973 0.074,974 27,975 156,981 20.583,982 8.672,983 4.24,984 0.629,985 132.658,986 19.004,987 13.377,991 3.774,993 50.908,994 513.965,995 48,1000 12.028,1004 -0.6,1007 56.211,1008 63.517,1009 0.268,1010 0.641,1011 0.807,1012 0.905,1013 0.918,1014 0.918,1015 5.133,1016 1.523,1017 6.014,1018 5.784,1019 4.635,1020 5.201,1021 1.641,1022 6.841,1023 4.536,1024 6.341,1025 1.484,1026 7.576,1027 4.368,1028 4.205,1029 4.987,1030 0.57,1031 7.763,1032 4.04,1033 7.649,1034 1.388,1035 9.239,1036 3.817,1037 6.236,1038 7.423,1039 1.339,1040 10.9,1041 6.032,1042 8.993,1043 1.186,1044 10.964,1045 3.256,1046 6.635,1047 8.073,1048 0.479,1049 12.711,1050 6.364,1051 10.373,1052 1.101,1053 12.73,1054 2.691,1055 8.134,1056 9.978,1057 1.199,1058 15.375,1059 7.825,1060 11.779,1061 1,1062 14.526,1063 2.528,1064 8.929,1065 11.065,1066 0.346,1067 17.573,1068 8.559,1069 13.206,1070 1,1071 16.345,1072 2.454,1073 10.213,1074 12.743,1075 1.111,1076 20.093,1077 9.802,1078 3.306,1079 0.498,1080 18.182,1081 2.275,1082 11.204,1083 14.055,1084 0.237,1085 22.456,1086 10.737,1087 2.916,1088 11.96,1089 20.036,1090 1.297,1091 12.405,1092 15.637,1093 1.046,1094 24.937,1095 11.895,1096 2.672,1097 9.204,1098 21.902,1099 4.651,1100 13.492,1101 17.061,1102 0.158,1103 27.368,1104 12.929,1105 2.45,1106 8.138,1107 23.779,1108 3.776,1109 14.667,1110 18.605,1111 0.994,1112 29.842,1113 14.059,1114 2.401,1115 7.684,1116 25.666,1117 3.636,1118 15.8,1119 20.085,1120 0.104,1121 32.301,1122 15.141,1123 2.223,1124 7.081,1125 27.561,1126 3.255,1127 16.97,1128 21.618,1129 0.952,1130 34.776,1131 16.265,1132 1.978,1133 6.172,1134 29.463,1135 2.886,1136 18.127,1137 23.125,1138 0.068,1139 37.246,1140 17.373,1141 13865,1142 22079,1143 24.561,1144 37.591,1145 54.958,1146 54.801,1147 55.826,1148 54.317,1149 54.252,1150 71.716,1151 5.96,1152 157.417,1153 51.674,1154 5.719,1155 5.578,1156 6.681,1157 5.332,1158 5.306,1159 7.651,1160 1.96,1161 19.199,1162 5.147,1163 13.311,1164 1.527,1165 1.522,1166 1.551,1167 1.509,1168 1.507,1169 1.992,1170 0.166,1171 4.373,1172 1.435,1173 4.147,1174 4.193,1175 4.125,1176 3.995,1177 7.437,1178 4.022,1179 3.967,1180 4.016,1181 3.906,1182 3.859,1183 5.098,1184 3.864,1185 3.788,1186 3.854,1187 3.728,1188 3.616,1189 4.937,1190 3.635,1191 3.706,1192 3.761,1193 3.604,1194 3.55,1195 4.853,1196 3.555,1197 3.5,1198 3.54,1199 3.444,1200 3.315,1201 4.729,1202 3.341,1203 3.208,1204 3.308,1205 3.077,1206 2.965,1207 4.352,1208 2.976,1209 3.124,1210 3.206,1211 3.012,1212 2.941,1213 4.259,1214 2.91,1215 3.111,1216 3.2,1217 2.904,1218 2.873,1219 3.988,1220 2.893,1221 0.131,1222 0.099,1223 0.194,1224 0.118,1225 0.092,1226 4.719,1227 0.129,1228 3.578,1229 0.027,1230 7,1231 0.332,1232 4.257,1233 0.087,1234 3.306,1235 4.651,1236 0.98,1237 11.96,1238 3.147,1239 1.935,1240 1.896,1241 2.049,1242 2.089,1243 1.304,1244 2.075,1245 1.907,1246 1.867,1247 2.003,1248 2.058,1249 1.1,1250 2.049,1251 1.755,1252 1.71,1253 1.915,1254 1.946,1255 1.051,1256 1.935,1257 1.695,1258 1.631,1259 1.822,1260 1.859,1261 0.849,1262 1.857,1263 1.452,1264 1.416,1265 1.543,1266 1.704,1267 0.825,1268 1.658,1269 1.179,1270 1.078,1271 1.533,1272 1.462,1273 0.641,1274 1.49,1275 1.153,1276 1.064,1277 1.513,1278 1.376,1279 0.486,1280 1.429,1281 1.03,1282 0.962,1283 1.236,1284 1.3,1285 0.293,1286 1.287,1287 4.29,1289 5.624,1290 2.398,1291 7.154,1292 4.844,1293 8.771,1294 7.066,1295 10.434,1297 2.146,1301 5.592,1303 4.084,1305 3.286,1309 4.707,1314 36.1,1315 87.131,1316 208.429,1317 262.457,1318 294.457,1319 298.457,1320 298.457,1321 44.534,1322 8.354,1323 104.68,1324 104.68,1325 29,1326 12.821,1327 4.585,1328 3.7,1329 45.768,1330 141,1331 154,1332 0.158,1333 220.577,1334 368.81,1335 529.967,1336 57554,1338 22.079,1339 0.69,1340 0.555,1341 22.079,1342 17.771,1343 15.581,1344 0.433,1345 0.291,1346 10.318,1347 14.914,1348 10.104,1349 8.359,1350 15.581,1351 10.492,1352 14.27,1353 0.28,1354 0.154,1355 14.27,1356 7.833,1357 11.973,1358 0.174,1359 0.082,1360 11.973,1361 5.632,1362 10.375,1363 0.109,1364 0.041,1365 10.375,1366 3.937,1367 8.984,1368 0.072,1369 0.022,1370 8.984,1371 2.811,1372 0.249,1373 97.837,1374 0.202,1375 29.87,1376 0.427,1377 174,1378 483.251,1379 192.256,1380 474.701,1381 664.37,1382 446,1383 207,1384 508.284,1385 226.507,1386 514.811,1387 757.53,1388 485,1389 5.1}
{0 CHEMBL1971430,1 1.439,2 11.844,3 3.316,4 10.998,5 127.827,6 7.213,7 0.514,8 4.156,9 4.287,10 3.697,11 3.727,12 5.268,13 3.694,14 4.66,15 4.842,16 4.033,17 4.11,18 5.704,19 4.052,20 4.917,21 5.122,22 4.131,23 4.261,24 5.953,25 4.182,26 5.039,27 5.281,28 4.132,29 4.256,30 6.092,31 4.174,32 5.005,33 5.218,34 4.202,35 4.288,36 6.095,37 4.219,38 5.093,39 5.314,40 4.204,41 4.325,42 6.179,43 4.25,44 5.138,45 5.38,46 4.06,47 4.315,48 6.194,49 4.195,50 5.071,51 5.341,52 3.856,53 4.222,54 5.957,55 4.064,56 0.051,57 0.873,58 12.209,59 5.103,60 12.107,61 7.007,62 0.261,63 1.388,64 21.843,65 8.539,66 22.023,67 11.937,68 0.199,69 1.716,70 29.101,71 11.064,72 32.634,73 15.635,74 0.438,75 1.852,76 35.107,77 11.663,78 62.583,79 16.859,80 0.331,81 1.849,82 32.653,83 11.601,84 50.86,85 16.301,86 0.356,87 1.992,88 36.264,89 11.992,90 61.653,91 17.042,92 0.569,93 2.015,94 38.993,95 13.13,96 86.48,97 18.741,98 0.298,99 1.82,100 36.879,101 13.544,102 54.288,103 19.646,104 17,105 48,106 0.232,107 0.579,108 0.75,109 0.837,110 0.861,111 0.861,112 3.503,113 0.912,114 -4.85,115 -4.76,116 -4.47,119 44.1,120 1,121 1,124 1,125 1,127 1,136 1,138 1,142 11,143 4,145 2,158 1,159 1,163 1,164 1,165 1,172 17,174 2,175 6,178 2,180 1,183 20,185 1,188 6,192 1,193 2,195 1,196 15,198 1,199 1,200 8,203 1,205 5,208 8,210 2,212 1,213 13,215 2,216 2,218 7,221 6,223 2,225 9,230 5,233 6,235 1,237 2,238 7,240 1,241 2,243 5,246 6,248 2,250 7,255 5,258 5,260 3,264 6,269 2,272 9,274 2,276 1832,277 21.69,278 21.69,279 21.69,280 21.69,281 21.69,282 18.978,283 18.954,284 13.033,285 21.974,286 17.289,287 17.289,288 17.289,289 17.289,290 17.289,291 13.243,292 20.542,293 6.239,294 17.732,295 4.444,296 2.288,297 1.226,298 0.682,299 0.534,300 0.534,301 4.198,305 1,306 1,307 818,308 3.24,312 451.329,319 1.738,320 25.443,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 67.5,332 379,333 4.645,334 3.812,335 6.981,336 4.273,337 3.295,338 4.221,339 1.399,340 11.818,341 3.23,342 4.022,343 3.006,344 6.162,345 3.66,346 2.705,347 3.586,348 1.005,349 8.831,350 2.613,351 3.957,352 2.937,353 5.881,354 3.604,355 2.612,356 3.455,357 0.27,358 8.17,359 2.592,360 3.923,361 2.816,362 5.485,363 3.595,364 2.609,365 3.344,366 0.204,367 7.39,368 2.543,369 3.621,370 2.64,371 5.243,372 3.232,373 2.25,374 2.911,376 6.382,377 2.197,378 3.319,379 2.237,380 4.898,381 3.081,382 2.104,383 2.494,385 5.536,386 2.051,387 3.242,388 2.194,389 4.777,390 2.806,391 1.842,392 2.349,394 5.139,395 1.768,396 3.078,397 1.805,398 4.545,399 2.635,400 1.661,401 2.261,403 4.416,404 1.612,405 2.821,406 1.545,407 3.747,408 2.41,409 1.414,410 1.925,412 3.036,413 1.408,414 2.709,415 1.435,416 3.582,417 2.218,418 1.243,419 1.785,421 2.851,422 1.211,423 2.582,424 1.279,425 3.479,426 2.068,427 1.1,428 1.588,430 2.544,431 1.062,432 2.5,433 1.142,434 3.404,435 2,436 1,437 1.5,439 2.136,440 1,441 2.5,442 1,443 3.247,444 1.984,445 1,446 1.5,448 2.136,449 0.983,450 1.903,451 1,452 3.247,453 1.706,454 0.766,455 0.819,457 1.863,458 0.716,459 1.734,460 0.879,461 3.112,462 1.198,463 0.211,464 0.28,466 0.506,467 0.204,468 15.333,469 0.479,470 0.733,471 0.023,472 42.75,473 1.336,474 22.5,475 0.703,476 20.25,477 0.633,478 26.988,479 0.843,480 33.267,481 0.564,482 35.094,483 1.097,484 8.742,485 0.273,486 6.783,487 0.212,488 0.113,490 0.32,496 0.85,497 1.238,498 0.834,499 1.008,500 0.76,501 0.927,502 0.736,503 0.935,504 0.878,505 0.915,506 0.668,507 0.907,508 0.953,509 1.187,510 0.976,511 1.113,512 0.931,513 1.054,514 1.299,515 0.984,516 0.959,517 0.876,518 1.235,519 0.876,520 1.262,521 1.123,522 0.978,523 1.034,524 1.298,525 0.988,526 1.619,527 1.192,528 1.114,529 1.046,530 1.537,531 1.028,532 1.423,533 0.987,534 1.211,535 1.025,536 1.495,537 1.088,538 0.941,539 1.054,540 1.035,541 1.061,542 0.96,543 1.063,544 5.5,545 0.198,546 3.111,547 2.313,548 2.2,549 1.292,550 0.833,551 0.571,552 0.361,553 0.247,554 13751,555 32707,556 2.082,557 45.8,558 3,559 17,561 2,562 3,564 2,567 1.749,568 1.959,569 3.497,570 0.791,572 1,577 84.873,578 1.439,579 3.595,580 4.657,581 5.2,582 5.349,583 5.349,584 2.93,585 4.5,586 4.967,587 3.684,588 1827.43,589 8.717,590 26395.8,592 1,595 347.076,596 1.366,597 4.936,598 0.157,599 0.007,600 0.065,601 0.045,602 0.044,603 0.024,604 0.016,605 0.013,606 0.01,607 0.008,608 0.389,609 0.17,610 1,611 0.531,612 167.036,613 -0.053,614 -0.078,615 0.039,616 0.007,617 -0.1,618 0.03,619 0.167,620 0.174,621 0.045,622 0.074,623 0.021,624 0.05,625 0.001,626 -0.139,627 -0.029,628 -0.125,629 -0.019,630 -0.086,631 0.011,632 0.035,633 0.053,634 0.071,635 0.043,636 0.07,637 0.018,638 -0.079,639 0.006,640 -0.072,641 0.016,642 -0.043,643 -0.191,644 -0.146,645 -0.11,646 -0.105,647 -0.094,648 -0.099,649 -0.068,650 0.02,651 -0.199,652 -0.078,653 -0.081,654 -0.144,655 -0.052,656 -0.126,657 -0.041,658 -0.07,659 -0.059,660 -0.059,661 1.781,662 6.467,663 0.75,664 34.531,665 0.992,666 1.123,667 3.622,668 13.117,669 0.676,670 3.584,671 3.892,672 4.159,673 4.431,674 4.691,675 4.754,676 4.875,677 4.97,678 5.024,679 5.004,680 7.003,681 0.638,682 425.58,683 3.584,684 5.118,685 5.964,686 6.838,687 7.707,688 8.593,689 9.473,690 10.366,691 11.254,692 12.152,693 8.5,694 1,695 1,700 1,702 1,703 1,709 13,710 1,714 4,716 18,735 59,737 21,738 2,739 35,741 62,742 26,743 17,744 3,745 9,746 4,748 4,749 4,752 1,754 1,760 2,762 21,763 5,767 3,772 1,775 1,776 4,780 1,783 27,784 6,785 3,786 6,792 5,797 1,798 1,809 1,816 4,830 1,834 1,835 1,836 1,838 1,843 4,847 2,851 32,852 1,858 2,860 1,863 1,864 1,874 1.7,877 1,881 16.333,882 11.017,883 7.083,884 3.388,886 2.816,887 1.373,888 0.994,889 6.672,890 10.37,891 3.871,892 4.437,893 4.996,894 5.556,895 6.113,896 6.296,897 6.689,898 7.047,899 7.336,900 7.511,901 0.875,902 51,903 11.832,905 4.979,906 7.661,907 22.675,909 18.415,911 2.161,912 69.167,915 1,916 282.506,917 169.484,918 87.603,920 25.145,923 169.484,924 307.651,925 87.603,926 17.222,927 40.662,928 122.249,929 72.934,930 50.808,931 1.899,932 258.964,934 282.506,935 257.087,936 25.145,939 258.964,940 48.687,943 102.378,944 135.167,945 19.542,947 282.506,948 112.748,949 169.484,952 282.506,953 29.929,954 142.679,955 18.011,956 91.613,957 282.506,958 112.748,959 169.484,961 0.575,962 0.334,963 0.185,964 0.107,965 22,966 10,967 0.113,968 7,970 1,971 4.246,972 295.045,974 24,975 147.245,981 21.79,982 9.799,983 5.088,985 112.748,986 25.184,987 4.106,991 3.943,993 50.908,994 564.738,995 47,1000 13.467,1003 4.857,1004 1.569,1007 58.556,1008 66.268,1009 0.245,1010 0.611,1011 0.792,1012 0.884,1013 0.909,1014 0.909,1015 5.097,1016 1.661,1017 5.938,1018 5.139,1019 4.575,1020 5.124,1021 1.899,1022 6.742,1023 4.528,1024 6.293,1025 1.414,1026 7.489,1027 4.416,1028 4.111,1029 4.745,1030 0.81,1031 7.642,1032 4.044,1033 7.587,1034 1.243,1035 9.147,1036 3.036,1037 6.151,1038 7.248,1039 2.131,1040 10.792,1041 6.06,1042 8.916,1043 1.1,1044 10.869,1045 2.851,1046 6.524,1047 7.676,1048 1.554,1049 12.579,1050 6.413,1051 10.279,1052 1,1053 12.635,1054 2.544,1055 8.025,1056 9.645,1057 2.512,1058 15.267,1059 7.893,1060 11.668,1061 1,1062 14.433,1063 2.136,1064 8.803,1065 10.492,1066 2.257,1067 17.439,1068 8.651,1069 13.077,1070 0.766,1071 16.255,1072 2.136,1073 10.087,1074 12.202,1075 2.993,1076 19.976,1077 9.916,1078 3.295,1079 0.211,1080 18.097,1081 1.863,1082 11.069,1083 13.291,1084 2.951,1085 22.316,1086 10.878,1087 2.705,1088 11.818,1089 19.954,1090 0.506,1091 12.27,1092 14.863,1093 3.544,1094 24.803,1095 12.061,1096 2.612,1097 8.831,1098 21.823,1099 4.221,1100 13.353,1101 16.095,1102 3.641,1103 27.217,1104 13.124,1105 2.609,1106 8.17,1107 23.704,1108 3.586,1109 14.529,1110 17.594,1111 4.142,1112 29.689,1113 14.281,1114 2.25,1115 7.39,1116 25.594,1117 3.455,1118 15.662,1119 18.911,1120 4.328,1121 32.134,1122 15.395,1123 2.104,1124 6.382,1125 27.491,1126 3.344,1127 16.835,1128 20.373,1129 4.769,1130 34.602,1131 16.548,1132 1.842,1133 5.536,1134 29.395,1135 2.911,1136 17.993,1137 21.74,1138 5.012,1139 37.06,1140 17.687,1141 13110,1142 20372,1143 23.463,1144 39.858,1145 52.826,1146 53.206,1147 53.734,1148 51.663,1149 51.626,1150 68.038,1151 5.757,1152 145.508,1153 50.379,1154 5.6,1155 5.812,1156 6.782,1157 5.345,1158 5.295,1159 7.221,1160 2.522,1161 19.432,1162 5.23,1163 14.512,1164 1.509,1165 1.52,1166 1.535,1167 1.476,1168 1.475,1169 1.944,1170 0.164,1171 4.157,1172 1.439,1173 4.041,1174 4.072,1175 4.004,1176 3.963,1177 7.428,1178 3.967,1179 3.923,1180 3.957,1181 3.845,1182 3.863,1183 5.016,1184 3.854,1185 3.84,1186 3.877,1187 3.775,1188 3.758,1189 4.933,1190 3.759,1191 3.713,1192 3.775,1193 3.649,1194 3.519,1195 4.759,1196 3.544,1197 3.565,1198 3.631,1199 3.445,1200 3.399,1201 4.733,1202 3.402,1203 3.222,1204 3.298,1205 3.089,1206 3.065,1207 4.635,1208 3.058,1209 3.12,1210 3.217,1211 2.991,1212 2.938,1213 4.028,1214 2.924,1215 3.093,1216 3.169,1217 2.912,1218 2.887,1219 3.889,1220 2.888,1221 0.133,1222 0.109,1223 0.199,1224 0.122,1225 0.094,1226 4.645,1227 0.121,1228 3.812,1229 0.04,1230 6.981,1231 0.338,1232 4.273,1233 0.092,1234 3.295,1235 4.221,1236 1.399,1237 11.818,1238 3.23,1239 1.984,1240 1.962,1241 2.073,1242 2.083,1243 1.268,1244 2.076,1245 1.925,1246 1.894,1247 2.06,1248 2.016,1249 1.198,1250 2.033,1251 1.83,1252 1.797,1253 1.944,1254 1.939,1255 1.014,1256 1.947,1257 1.645,1258 1.585,1259 1.829,1260 1.862,1261 0.976,1262 1.854,1263 1.528,1264 1.472,1265 1.717,1266 1.741,1267 0.782,1268 1.741,1269 1.231,1270 1.154,1271 1.552,1272 1.437,1273 0.63,1274 1.48,1275 1.113,1276 1.033,1277 1.418,1278 1.374,1279 0.55,1280 1.396,1281 1.075,1282 0.994,1283 1.341,1284 1.305,1285 0.448,1286 1.32,1287 4.263,1289 5.572,1291 7.084,1293 8.691,1295 10.352,1297 3.744,1301 6.343,1303 1.231,1305 3.285,1308 -0.116,1309 1.553,1314 37.617,1315 84.873,1316 212.108,1317 274.758,1318 306.811,1319 315.566,1320 315.566,1321 57.726,1322 7.553,1323 85.83,1324 85.83,1325 24,1326 12.678,1327 4.459,1328 3.7,1329 51.64,1330 132,1331 154,1332 0.188,1333 233.437,1334 408.33,1335 561.346,1336 18555,1338 22.501,1339 0.703,1340 0.573,1341 22.501,1342 18.324,1343 15.525,1344 0.444,1345 0.304,1346 10.538,1347 15.125,1348 10.203,1349 8.552,1350 15.525,1351 10.645,1352 13.807,1353 0.288,1354 0.166,1355 13.807,1356 7.959,1357 11.517,1358 0.183,1359 0.086,1360 11.517,1361 5.414,1362 9.559,1363 0.115,1364 0.045,1365 9.559,1366 3.751,1367 7.89,1368 0.073,1369 0.024,1370 7.89,1371 2.566,1372 0.293,1373 96,1374 0.206,1375 29.794,1376 0.524,1377 166,1378 426.316,1379 176.984,1380 426.633,1381 592.27,1382 400,1383 194,1384 442.059,1385 205.845,1386 455.907,1387 663.22,1388 428,1389 5.1}
{0 CHEMBL1971649,1 1.623,2 12.552,3 3.451,4 11.907,5 108.978,6 8.244,7 0.719,8 3.966,9 4.086,10 3.61,11 3.546,12 5.209,13 3.546,14 4.422,15 4.568,16 3.976,17 3.916,18 5.677,19 3.899,20 4.671,21 4.846,22 4.061,23 4.036,24 5.938,25 4.007,26 4.732,27 4.942,28 3.956,29 3.987,30 5.955,31 3.936,32 4.704,33 4.921,34 3.867,35 3.893,36 6.045,37 3.837,38 4.603,39 4.848,40 3.655,41 3.754,42 5.764,43 3.685,44 4.377,45 4.596,46 3.564,47 3.636,48 5.548,49 3.579,50 4.295,51 4.507,52 3.505,53 3.575,54 5.493,55 3.515,56 0.079,57 0.784,58 7.705,59 3.747,60 11.038,61 4.422,62 0.213,63 1.209,64 13.48,65 6.329,66 21.679,67 7.857,68 0.365,69 1.54,70 19.281,71 7.871,72 44.304,73 9.554,74 0.346,75 1.542,76 22.824,77 8.824,78 51.339,79 11.047,80 0.555,81 1.414,82 23.186,83 8.106,84 84.857,85 10.325,86 0.433,87 1.268,88 23.079,89 7.983,90 71.135,91 10.072,92 0.306,93 1.028,94 16.713,95 6.103,96 42.94,97 7.679,98 0.239,99 1.009,100 14.891,101 5.92,102 32.443,103 7.343,104 17,105 45,106 0.272,107 0.595,108 0.745,109 0.847,110 0.871,111 0.878,112 3.408,113 0.839,114 -4.48,115 -4.41,116 -4.15,119 46.8,120 1,142 9,143 3,144 4,145 2,146 2,159 1,163 1,164 1,165 1,172 11,175 1,178 2,179 1,180 4,183 12,185 1,187 1,188 3,190 1,191 1,193 6,196 9,198 2,200 6,202 1,203 1,205 9,208 4,210 3,213 7,218 7,221 2,223 2,225 7,230 4,233 2,238 3,242 1,243 2,245 1,246 6,250 1,253 1,255 1,258 9,264 1,266 1,267 2,268 1,269 1,271 1,272 7,276 1261,277 19.516,278 19.516,279 19.516,280 19.516,281 19.516,282 16.532,283 17.267,284 11.417,285 19.799,286 15.776,287 15.776,288 15.776,289 15.776,290 15.776,291 11.394,292 22.095,293 5.425,294 16.264,295 3.931,296 2.002,297 1.107,298 0.5,299 0.356,300 0.314,301 4.104,304 1,305 1,306 1,307 794,308 3.082,312 367.434,316 142.825,319 2.081,320 31.959,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 63,332 364,333 4.597,334 3.575,335 6.738,336 4.152,337 3.171,338 4.521,339 1.656,340 10.897,341 3.112,342 4.252,343 3.2,344 6.094,345 3.851,346 2.89,347 3.891,348 0.247,349 8.876,350 2.77,351 4.125,352 3.12,353 6.078,354 3.69,355 2.712,356 3.77,358 8.748,359 2.65,360 3.829,361 2.706,362 5.475,363 3.456,364 2.486,365 3.253,367 7.325,368 2.405,369 3.529,370 2.421,371 5.072,372 3.132,373 2.146,374 2.836,376 5.837,377 2.108,378 3.392,379 2.415,380 4.928,381 2.976,382 2.003,383 2.69,385 5.61,386 1.933,387 3.268,388 1.948,389 4.782,390 2.808,391 1.842,392 2.559,394 5.223,395 1.774,396 3.061,397 1.801,398 4.407,399 2.549,400 1.583,401 2.313,403 4.138,404 1.527,405 2.821,406 1.601,407 4.109,408 2.362,409 1.388,410 1.956,412 3.604,413 1.342,414 2.777,415 1.322,416 3.639,417 2.268,418 1.289,419 1.889,421 2.967,422 1.258,423 2.5,424 1,425 3.464,426 2,427 1,428 1.5,430 2.275,431 1,432 2.332,433 0.929,434 3.414,435 1.803,436 0.877,437 1.257,439 2.068,440 0.811,441 1.546,442 0.783,443 3.05,444 1.235,445 0.306,446 0.363,448 0.731,449 0.279,450 1.484,451 0.624,452 2.863,453 1.121,454 0.161,455 0.2,457 0.374,458 0.152,459 1.177,460 0.287,461 2.463,462 0.805,463 -0.149,464 -0.182,466 -0.383,467 -0.141,468 13.619,469 0.47,470 0.75,471 0.026,472 43.75,473 1.509,474 25,475 0.862,476 18.75,477 0.647,478 18.983,479 0.655,480 29.581,481 0.629,482 33.405,483 1.152,484 8.874,485 0.306,486 5.134,487 0.177,488 0.112,490 0.367,494 1,496 0.724,497 1.011,498 0.712,499 0.868,500 0.642,501 0.792,502 0.561,503 1.053,504 0.721,505 0.988,506 0.554,507 0.913,508 0.963,509 1.058,510 0.996,511 1.052,512 0.934,513 1.036,514 1.062,515 1.139,516 1.046,517 1.128,518 1.02,519 1.09,520 0.989,521 0.924,522 1.081,523 1.025,524 0.991,525 1.055,526 1.321,527 0.94,528 1.071,529 0.888,530 1.376,531 0.917,532 1.07,533 0.85,534 1.022,535 0.873,536 1.031,537 0.923,538 1.084,539 1.062,540 1.055,541 1.067,542 1.05,543 1.058,544 6,545 0.157,546 3.556,547 2.188,548 1.902,549 0.882,550 0.544,551 0.286,552 0.282,553 0.174,554 12090,555 35646,556 2.09,557 38.3,558 3,559 9,561 2,562 4,567 1.713,568 1.955,569 3.596,570 1.629,572 1,577 76.29,578 1.623,579 3.553,580 4.447,581 5.054,582 5.198,583 5.241,584 3.095,585 4.349,586 4.832,587 3.8,588 1542.67,589 8.379,590 21685.8,592 1,594 1,595 261.066,596 1.416,597 4.788,598 0.188,599 0.008,600 0.079,601 0.047,602 0.046,603 0.024,604 0.018,605 0.01,606 0.011,607 0.008,608 0.439,609 0.17,610 1,611 0.562,612 149.824,613 -0.097,614 -0.006,615 0.009,616 0.069,617 -0.108,618 0.07,619 0.131,620 -0.073,621 0.073,622 -0.031,623 0.059,624 -0.006,625 -0.026,626 -0.032,627 -0.113,628 -0.105,629 -0.045,630 -0.127,631 -0.086,632 -0.14,633 -0.079,634 -0.154,635 -0.049,636 -0.121,637 0.052,638 -0.019,639 -0.079,640 -0.073,641 0.104,642 -0.092,643 -0.172,644 0.029,645 0.004,646 0.112,647 -0.156,648 0.104,649 -0.127,650 0.041,651 -0.037,652 0.096,653 -0.089,654 0.059,655 -0.079,656 -0.024,657 -0.079,658 -0.068,659 -0.062,660 -0.069,661 2.192,662 5.794,663 0.759,664 29.534,665 1.011,666 1.127,667 3.251,668 10.567,669 0.697,670 3.497,671 3.829,672 4.094,673 4.344,674 4.575,675 4.564,676 4.673,677 4.779,678 4.852,679 4.89,680 7.505,681 0.679,682 387.45,683 3.497,684 5.043,685 5.894,686 6.772,687 7.637,688 8.516,689 9.386,690 10.266,691 11.14,692 12.021,693 10.6,697 1,700 2,703 2,708 2,709 11,710 2,714 7,716 23,727 1,734 1,735 47,737 24,738 3,739 32,741 50,742 22,743 20,744 9,745 9,748 4,749 5,753 1,754 1,762 21,763 1,767 1,772 1,776 1,780 1,781 1,783 18,784 7,785 4,786 7,792 5,797 0.75,798 1,806 1,816 4,820 1,843 3,847 1,849 1,851 29,852 1,860 2,873 1,874 2.1,877 1,881 14.833,882 8.71,883 6.306,884 2.595,886 4.425,887 1.572,888 1.034,889 5.109,890 12.16,891 3.818,892 4.472,893 5.075,894 5.683,895 6.273,896 6.518,897 6.938,898 7.373,899 7.774,900 8.02,901 1,902 47,903 10.693,905 4.618,906 7.937,907 19.882,909 16.149,911 2.437,912 70.667,915 1,916 164.795,917 147.718,918 102.49,920 25.145,921 14.96,923 147.718,924 189.94,925 117.45,926 8.825,927 36.022,928 118.183,929 82.258,930 49.331,931 19.236,932 141.253,934 164.795,935 250.208,936 40.105,939 179.756,940 25.145,943 67.23,944 149.407,945 33.571,947 179.756,948 127.635,949 147.718,952 164.795,953 35.512,954 112.206,955 36.022,956 106.573,957 164.795,958 142.595,959 147.718,961 0.586,962 0.344,963 0.185,964 0.103,965 22,966 10,967 0.06,968 3,969 1,970 1.091,971 4.12,972 251.209,973 0.091,974 22,975 136.881,981 18.851,982 7.86,983 4.029,984 1.374,985 142.595,986 18.701,987 8.539,991 3.313,993 68.919,994 455.109,995 44.5,1000 12.177,1004 -0.525,1007 47.534,1008 52.947,1009 0.292,1010 0.64,1011 0.801,1012 0.91,1013 0.936,1014 0.943,1015 5.042,1016 1.583,1017 5.883,1018 5.223,1019 4.511,1020 5.159,1021 1.758,1022 6.688,1023 4.452,1024 6.272,1025 1.388,1026 7.441,1027 4.138,1028 4.111,1029 4.997,1030 1.195,1031 7.57,1032 4.026,1033 7.589,1034 1.289,1035 9.097,1036 3.604,1037 6.103,1038 7.419,1039 2.415,1040 10.667,1041 5.991,1042 8.94,1043 1,1044 10.811,1045 2.967,1046 6.494,1047 8.057,1048 2.324,1049 12.373,1050 6.354,1051 10.32,1052 0.877,1053 12.562,1054 2.275,1055 7.968,1056 9.961,1057 3.244,1058 14.997,1059 7.807,1060 11.721,1061 0.306,1062 14.339,1063 2.068,1064 8.735,1065 11.003,1066 3.407,1067 17.06,1068 8.547,1069 13.14,1070 0.161,1071 16.137,1072 0.731,1073 9.996,1074 12.678,1075 4.156,1076 19.518,1077 9.789,1078 3.171,1079 -0.149,1080 17.95,1081 0.374,1082 10.948,1083 13.934,1084 4.464,1085 21.744,1086 10.715,1087 2.89,1088 10.897,1089 19.775,1090 -0.383,1091 12.12,1092 15.502,1093 5.111,1094 24.143,1095 11.87,1096 2.712,1097 8.876,1098 21.611,1099 4.521,1100 13.162,1101 16.872,1102 5.504,1103 26.446,1104 12.888,1105 2.486,1106 8.748,1107 23.456,1108 3.891,1109 14.301,1110 18.393,1111 6.091,1112 28.827,1113 14.01,1114 2.146,1115 7.325,1116 25.308,1117 3.77,1118 15.387,1119 19.823,1120 6.531,1121 31.168,1122 15.075,1123 2.003,1124 5.837,1125 27.165,1126 3.253,1127 16.516,1128 21.326,1129 7.083,1130 33.545,1131 16.188,1132 1.842,1133 5.61,1134 29.029,1135 2.836,1136 17.624,1137 22.787,1138 7.551,1139 35.906,1140 17.277,1141 11379,1142 19677,1143 21.383,1144 32.75,1145 48.088,1146 49.288,1147 49.475,1148 47.682,1149 47.707,1150 65.995,1151 3.806,1152 137.344,1153 46.242,1154 5.468,1155 5.575,1156 6.421,1157 5.221,1158 5.171,1159 7.521,1160 2.912,1161 18.303,1162 5.112,1163 14.179,1164 1.503,1165 1.54,1166 1.546,1167 1.49,1168 1.491,1169 2.062,1170 0.119,1171 4.292,1172 1.445,1173 4.09,1174 4.121,1175 4.058,1176 4.012,1177 8.201,1178 4.019,1179 3.943,1180 3.976,1181 3.898,1182 3.856,1183 7.431,1184 3.86,1185 3.854,1186 3.889,1187 3.802,1188 3.766,1189 5.191,1190 3.771,1191 3.479,1192 3.529,1193 3.424,1194 3.3,1195 4.871,1196 3.317,1197 3.36,1198 3.414,1199 3.28,1200 3.139,1201 4.74,1202 3.173,1203 3.17,1204 3.242,1205 3.041,1206 2.982,1207 4.65,1208 2.985,1209 3.089,1210 3.184,1211 2.977,1212 2.881,1213 4.278,1214 2.895,1215 2.897,1216 2.968,1217 2.785,1218 2.752,1219 4.045,1220 2.752,1221 0.144,1222 0.112,1223 0.211,1224 0.13,1225 0.099,1226 4.597,1227 0.141,1228 3.575,1229 0.052,1230 6.738,1231 0.341,1232 4.152,1233 0.097,1234 3.171,1235 4.521,1236 1.656,1237 10.897,1238 3.112,1239 2.038,1240 2.014,1241 2.102,1242 2.135,1243 1.223,1244 2.126,1245 1.908,1246 1.881,1247 2.014,1248 2.021,1249 1.122,1250 2.016,1251 1.834,1252 1.802,1253 1.931,1254 1.945,1255 0.998,1256 1.945,1257 1.404,1258 1.356,1259 1.558,1260 1.628,1261 0.59,1262 1.601,1263 1.282,1264 1.226,1265 1.525,1266 1.52,1267 0.535,1268 1.519,1269 1.14,1270 1.074,1271 1.36,1272 1.385,1273 0.326,1274 1.4,1275 1.028,1276 0.954,1277 1.281,1278 1.325,1279 0.218,1280 1.326,1281 0.886,1282 0.821,1283 1.181,1284 1.087,1285 0.218,1286 1.107,1287 4.174,1289 5.501,1291 7.027,1293 8.644,1295 10.307,1297 1.825,1299 13.794,1301 6.264,1305 5.204,1314 31.893,1315 76.29,1316 166.973,1317 209.027,1318 237.556,1319 244.311,1320 246.311,1321 52.679,1322 7.735,1323 92.93,1324 92.93,1325 24,1326 12.557,1327 4.644,1328 3.755,1329 45.069,1330 135,1331 105,1332 0.165,1333 196.266,1334 334.3,1335 470.648,1336 26853,1337 2.1,1338 20.38,1339 0.703,1340 0.538,1341 19.51,1342 15.609,1343 14.008,1344 0.438,1345 0.28,1346 8.834,1347 13.531,1348 8.622,1349 7.18,1350 13.597,1351 8.949,1352 12.822,1353 0.285,1354 0.146,1355 12.304,1356 6.591,1357 10.752,1358 0.182,1359 0.076,1360 10.203,1361 4.504,1362 8.952,1363 0.118,1364 0.04,1365 8.799,1366 3.062,1367 7.421,1368 0.077,1369 0.021,1370 6.887,1371 2.044,1372 0.266,1373 87.505,1374 0.216,1375 27.998,1376 0.432,1377 154,1378 499.115,1379 168.787,1380 468.382,1381 636.71,1382 436,1383 181,1384 470.251,1385 195.159,1386 475.026,1387 691.49,1388 447,1389 5.1}
{0 CHEMBL1971694,1 1.863,2 9,3 3.052,4 9.315,5 77.64,6 8.305,7 0.55,8 3.631,9 3.752,10 3.423,11 3.149,12 4.754,13 3.121,14 4.133,15 4.319,16 3.616,17 3.463,18 5.392,19 3.407,20 4.328,21 4.581,22 3.555,23 3.444,24 5.423,25 3.372,26 4.262,27 4.519,28 3.429,29 3.396,30 5.338,31 3.286,32 4.165,33 4.401,34 3.493,35 3.379,36 5.271,37 3.28,38 4.106,39 4.304,40 3.478,41 3.359,42 5.307,43 3.263,44 4.056,45 4.253,46 3.298,47 3.235,48 5.341,49 3.129,50 3.939,51 4.164,52 3.03,53 3,54 5.212,55 2.881,56 0.101,57 0.613,58 8.266,59 2.865,60 11.334,61 3.663,62 0.28,63 0.891,64 12.508,65 5.016,66 29.118,67 6.452,68 0.391,69 0.95,70 19.041,71 5.548,72 40.804,73 7.698,74 0.426,75 0.851,76 19.641,77 5.47,78 44.401,79 7.161,80 0.37,81 0.786,82 17.94,83 4.939,84 39.785,85 6.273,86 0.326,87 0.784,88 18.029,89 5.007,90 38.902,91 5.492,92 0.376,93 0.713,94 17.21,95 4.758,96 47.056,97 5.252,98 0.405,99 0.64,100 16.417,101 4.505,102 49.636,103 5.154,104 14,105 26,106 0.347,107 0.659,108 0.789,109 0.844,110 0.844,111 0.844,112 3.009,113 1.067,114 -4.44,115 -4.37,116 -4.12,119 35.3,120 1,121 2,125 1,142 4,144 2,147 2,172 4,174 3,178 2,180 3,183 3,191 2,192 1,193 3,196 2,200 3,203 2,205 1,213 6,218 3,225 7,230 3,238 4,243 1,246 2,250 1,258 4,272 4,276 483,277 12.801,278 12.801,279 12.801,280 12.801,281 12.801,282 11.272,283 16.976,284 7.939,285 13.036,286 9.869,287 9.869,288 9.869,289 9.869,290 9.869,291 7.601,292 27.733,293 3.797,294 10.303,295 3.224,296 1.545,297 0.846,298 0.552,299 0.552,300 0.552,301 3.667,304 1,305 1,306 1,307 349,308 2.739,311 56.697,312 62.42,319 1.368,320 24.116,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 42.5,332 171,333 4.392,334 3.113,335 6.244,336 3.926,337 2.979,338 4.208,339 0.4,340 9.472,341 2.818,342 3.998,343 2.907,344 5.406,345 3.544,346 2.579,347 3.611,348 0.4,349 7.139,350 2.484,351 3.529,352 2.454,353 4.915,354 3.043,355 2.103,356 2.901,358 5.762,359 1.971,360 3.35,361 2.055,362 4.783,363 2.904,364 1.938,365 2.633,367 5.247,368 1.858,369 2.799,370 1.748,371 4.344,372 2.618,373 1.641,374 1.849,376 4.111,377 1.601,378 2.528,379 1.426,380 3.574,381 2.252,382 1.315,383 1.531,385 2.912,386 1.227,387 2.5,388 1,389 3.414,390 2,391 1,392 1.5,394 2.275,395 1,396 1.755,397 0.771,398 2.944,399 1.604,400 0.647,401 0.7,403 1.134,404 0.617,405 1.432,406 0.571,407 2.769,408 1.069,409 0.15,410 0.184,412 0.363,413 0.136,414 1.053,415 -0.072,416 2,417 0.695,418 -0.265,419 -0.29,421 -0.47,422 -0.253,423 0.875,424 -0.244,425 2,426 0.408,427 -0.514,428 -0.637,430 -1.236,431 -0.463,432 0.546,433 -0.736,434 2,435 0.168,436 -0.805,437 -1.122,439 -1.809,440 -0.781,441 0.5,442 -0.826,443 1.777,445 -1,446 -1.35,448 -2.597,449 -1,450 0.073,451 -1,452 1.414,453 -0.191,454 -1.119,455 -1.5,457 -3,458 -1.02,459 -0.129,460 -1.213,461 1.146,462 -0.474,463 -1.393,464 -1.628,466 -3.138,467 -1.301,468 9.052,469 0.476,470 0.4,471 0.021,472 25,473 1.316,474 13,475 0.684,476 12,477 0.632,478 12.799,479 0.674,480 21.548,481 0.634,482 15.745,483 0.829,484 4.71,485 0.248,486 4.476,487 0.236,488 0.124,490 0.313,494 1,496 0.589,497 1.338,498 0.745,499 1.267,500 0.593,501 1.004,502 0.509,503 1.054,504 0.657,505 0.947,506 0.452,507 1.023,508 0.814,509 0.993,510 0.662,511 0.85,512 0.758,513 0.887,514 0.844,515 0.922,516 0.973,517 0.876,518 0.705,519 0.897,520 0.848,521 0.747,522 1.032,523 0.856,524 0.725,525 0.811,526 1.274,527 1.045,528 1.52,529 1.235,530 1.107,531 1.047,532 1.328,533 0.944,534 1.573,535 1.291,536 1.333,537 1.171,538 1.132,539 0.893,540 1.313,541 1.291,542 1.424,543 1.191,544 4,545 0.037,546 1.556,547 1.167,548 0.787,549 0.469,550 0.349,551 0.24,552 0.134,553 0.046,554 3159,555 10526,556 1.995,557 44.1,558 5,559 6,562 2,564 2,567 1.603,568 1.869,569 3.165,570 0.497,572 1,574 1,577 63.351,578 1.863,579 3.542,580 4.242,581 4.536,582 4.536,583 4.536,584 2.695,585 3.577,586 4.212,587 3.269,588 558.94,589 7.179,590 5621.38,591 1,592 1,593 1,594 1,595 172.974,596 1.384,597 4.178,598 0.2,599 0.009,600 0.06,601 0.051,602 0.039,603 0.022,604 0.017,605 0.015,606 0.012,607 0.007,608 0.433,609 0.33,610 1,611 1.538,612 83.363,613 0.023,614 -0.241,615 0.171,616 -0.153,617 -0.084,618 -0.012,619 0.204,620 -0.085,621 0.09,622 -0.063,623 0.169,624 -0.073,625 0.047,626 -0.073,627 0.162,628 -0.009,629 0.01,630 0.071,631 -0.01,632 -0.022,633 0.006,634 0.06,635 0.007,636 0.064,637 -0.068,638 0.087,639 0.032,640 0.152,641 -0.027,642 0.147,643 -0.303,644 -0.055,645 -0.27,646 -0.064,647 -0.141,648 -0.096,649 -0.226,650 0.007,651 -0.359,652 -0.158,653 -0.124,654 -0.229,655 0.055,656 0.056,657 -0.188,658 -0.228,659 -0.067,660 -0.212,661 2.812,662 4.802,663 0.579,664 15.435,665 1.018,666 1.146,667 3.206,668 10.278,669 0.666,670 3.045,671 3.296,672 3.466,673 3.689,674 3.829,675 3.761,676 3.807,677 3.829,678 3.784,679 3.611,680 5.263,681 0.633,682 282.38,683 3.045,684 4.533,685 5.333,686 6.176,687 7.004,688 7.856,689 8.697,690 9.553,691 10.402,692 11.259,693 11.8,698 1,701 1,703 2,709 4,710 2,714 4,716 11,728 2,734 1,735 34,737 12,738 1,739 20,741 35,742 12,743 8,744 2,745 4,748 2,749 2,754 1,760 2,762 8,763 4,767 1,772 1,779 1,780 1,781 1,783 15,784 6,785 2,786 7,787 1,792 4,797 1,798 1,815 1,816 1,843 2,845 1,847 1,849 1,851 19,858 3,860 2,873 1,874 2.9,877 1,881 10.167,882 6.21,883 4.361,884 2.161,886 2.13,887 1.347,888 0.968,889 4.912,890 8.265,891 3.314,892 3.887,893 4.365,894 4.918,895 5.297,896 5.269,897 5.582,898 5.93,899 6.23,900 6.403,901 1,902 23,903 7.044,905 2.924,906 8.047,907 13.139,909 10.242,911 2.547,912 48.389,913 0.001,916 153.024,917 88.178,918 65.974,920 22.156,921 14.96,922 17.739,923 70.439,924 175.181,925 80.934,926 8.825,927 7.175,928 55.644,929 70.119,930 29.889,931 19.616,932 153.024,934 153.024,935 136.412,936 37.117,937 17.739,939 144.442,940 45.699,943 34.011,944 54.439,945 47.963,946 17.739,947 167.984,948 88.13,949 88.178,952 170.764,953 23.708,954 46.73,955 36.022,956 67.069,957 153.024,958 103.09,959 88.178,961 0.558,962 0.304,963 0.162,964 0.094,965 11,966 5,967 0.171,968 6,970 1,971 3.198,972 127.496,974 11,975 76.711,979 1,981 14.003,982 6.664,983 4.03,985 103.09,986 5.859,987 7.777,991 1.263,993 36.022,994 344.292,995 26.5,1000 11.337,1007 34.625,1008 38.954,1009 0.366,1010 0.696,1011 0.834,1012 0.892,1013 0.892,1014 0.892,1015 4.497,1016 0.647,1017 5.283,1018 2.275,1019 3.97,1020 4.57,1021 0.495,1022 6.004,1023 3.881,1024 5.684,1025 0.15,1026 6.781,1027 1.134,1028 3.434,1029 4.407,1031 6.698,1032 3.27,1033 6.973,1034 -0.265,1035 8.375,1036 0.363,1037 5.468,1038 6.769,1039 0.097,1040 9.762,1041 5.282,1042 8.3,1043 -0.514,1044 10.025,1045 -0.47,1046 5.74,1047 7.416,1049 11.315,1050 5.47,1051 9.657,1052 -0.805,1053 11.712,1054 -1.236,1055 7.238,1056 9.258,1057 0.016,1058 13.869,1059 6.948,1060 11.037,1061 -1,1062 13.426,1063 -1.809,1064 7.912,1065 10.287,1067 15.809,1068 7.541,1069 12.432,1070 -1.119,1071 15.16,1072 -2.597,1073 9.173,1074 11.904,1075 0.003,1076 18.172,1077 8.774,1078 2.979,1079 -1.393,1080 16.911,1081 -3,1082 10.053,1083 13.126,1085 20.286,1086 9.578,1087 2.579,1088 9.472,1089 18.675,1090 -3.138,1091 11.208,1092 14.64,1094 22.575,1095 10.696,1096 2.103,1097 7.139,1098 20.45,1099 4.208,1100 12.191,1101 15.962,1103 24.765,1104 11.608,1105 1.938,1106 5.762,1107 22.234,1108 3.611,1109 13.3,1110 17.428,1112 27.027,1113 12.673,1114 1.641,1115 5.247,1116 24.026,1117 2.901,1118 14.334,1119 18.801,1121 29.249,1122 13.64,1123 1.315,1124 4.111,1125 25.824,1126 2.633,1127 15.425,1128 20.246,1130 31.502,1131 14.683,1132 1,1133 2.912,1134 27.628,1135 1.849,1136 16.484,1137 21.646,1139 33.738,1140 15.678,1141 3258,1142 6137,1143 13.118,1144 22.631,1145 28.718,1146 29.29,1147 29.988,1148 28.729,1149 28.706,1150 38.233,1151 1.6,1152 76.831,1153 27.424,1154 5.251,1155 5.113,1156 6.153,1157 4.959,1158 4.979,1159 7.208,1160 0.8,1161 15.724,1162 4.818,1163 9.459,1164 1.436,1165 1.465,1166 1.499,1167 1.436,1168 1.435,1169 1.912,1170 0.08,1171 3.842,1172 1.371,1173 3.997,1174 4.026,1175 4.543,1176 3.895,1177 8.201,1178 3.868,1179 3.846,1180 3.871,1181 3.85,1182 3.772,1183 7.42,1184 3.73,1185 3.658,1186 3.723,1187 3.522,1188 3.52,1189 4.854,1190 3.491,1191 3.221,1192 3.313,1193 3.228,1194 3.017,1195 4.607,1196 2.979,1197 3.073,1198 3.121,1199 2.992,1200 2.872,1201 4.197,1202 2.873,1203 2.854,1204 2.925,1205 2.708,1206 2.735,1207 3.92,1208 2.715,1209 2.752,1210 2.826,1211 2.687,1212 2.584,1213 3.731,1214 2.546,1215 2.524,1216 2.605,1217 2.333,1218 2.231,1219 3.674,1220 2.223,1221 0.22,1222 0.156,1223 0.312,1224 0.196,1225 0.149,1226 4.392,1227 0.21,1228 3.113,1229 0.02,1230 6.244,1231 0.474,1232 3.926,1233 0.141,1234 2.979,1235 4.208,1236 0.4,1237 9.472,1238 2.818,1239 1.88,1240 1.851,1241 1.985,1242 1.993,1243 1.257,1244 1.991,1245 1.706,1246 1.636,1247 1.969,1248 1.898,1249 1.051,1250 1.925,1251 1.416,1252 1.362,1253 1.628,1254 1.646,1255 0.773,1256 1.644,1257 1.322,1258 1.351,1259 1.382,1260 1.489,1261 0.474,1262 1.527,1263 1.118,1264 1.034,1265 1.181,1266 1.348,1267 0.263,1268 1.384,1269 0.886,1270 0.821,1271 1.109,1272 1.062,1273 0.218,1274 1.107,1275 0.81,1276 0.758,1277 0.928,1278 1.061,1279 0.173,1280 1.067,1281 0.538,1282 0.406,1283 0.777,1284 0.862,1285 0.022,1286 0.892,1287 3.714,1289 4.977,1290 2.398,1291 6.415,1292 4.727,1293 7.938,1294 6.783,1295 9.508,1297 2.085,1299 12.802,1303 2.799,1305 6.057,1314 21.532,1315 63.351,1316 120.444,1317 144.219,1318 154.219,1319 154.219,1320 154.219,1321 33.647,1322 6.136,1323 66.91,1324 88.61,1325 11,1326 11.813,1327 3.7,1328 2.907,1329 33.647,1330 57,1331 68,1332 0.286,1333 139.957,1334 233.81,1335 333.256,1336 3094,1337 2.9,1338 13.665,1339 0.719,1340 0.597,1341 13.083,1342 11.336,1343 9.186,1344 0.459,1345 0.356,1346 6.038,1347 8.147,1348 5.831,1349 4.92,1350 9.489,1351 7.114,1352 7.954,1353 0.306,1354 0.187,1355 8.121,1356 4.849,1357 6.027,1358 0.194,1359 0.102,1360 6.321,1361 3.17,1362 4.807,1363 0.123,1364 0.055,1365 5.529,1366 2.151,1367 3.779,1368 0.084,1369 0.029,1370 4.171,1371 1.325,1372 0.444,1373 65.207,1374 0.276,1375 19.235,1376 0.793,1377 92,1378 360.663,1379 131.277,1380 344.046,1381 455.56,1382 316,1383 103,1384 308.586,1385 145.176,1386 334.203,1387 476.17,1388 312,1389 5.1}
{0 CHEMBL1971801,1 1.666,2 5.75,3 1.256,4 1.577,5 59.761,6 8.843,7 0.667,8 3.349,9 3.465,10 3.063,11 2.91,12 4.612,13 2.935,14 3.785,15 3.912,16 3.41,17 3.271,18 5.054,19 3.279,20 4.075,21 4.249,22 3.549,23 3.403,24 5.308,25 3.412,26 4.051,27 4.248,28 3.376,29 3.24,30 5.397,31 3.24,32 3.869,33 4.089,34 3.056,35 3.033,36 5.164,37 2.999,38 3.389,39 3.615,40 2.426,41 2.566,42 4.575,43 2.491,44 2.89,45 3.136,46 1.66,47 2.06,48 3.892,49 1.916,50 2.242,51 2.582,52 0.38,53 1.206,54 2.773,55 0.929,56 0.079,57 0.41,58 3.311,59 1.705,60 5.169,61 1.826,62 0.138,63 0.618,64 5.428,65 2.827,66 9.804,67 3.222,68 0.23,69 0.785,70 9.385,71 3.737,72 21.128,73 4.311,74 0.336,75 0.711,76 10.281,77 3.461,78 29.076,79 3.969,80 0.299,81 0.549,82 10.082,83 3.373,84 34.772,85 4.059,86 0.151,87 0.333,88 6.097,89 2.148,90 19.205,91 2.594,92 0.087,93 0.195,94 3.71,95 1.339,96 10.036,97 1.703,98 0.043,99 0.081,100 2.67,101 0.839,102 4.717,103 1.317,104 2,105 25,106 0.33,107 0.619,108 0.747,109 0.843,110 0.859,111 0.892,112 2.857,113 0.806,114 -2.32,115 -2.36,116 -2.32,119 45.8,142 5,143 1,144 2,145 1,147 1,158 1,166 1,172 4,175 3,178 2,180 4,183 2,188 3,191 1,192 1,193 6,196 1,199 1,200 2,203 2,205 2,208 2,212 1,213 5,216 1,221 4,225 4,233 2,238 1,276 154,277 11.069,278 11.069,279 11.069,280 11.069,281 11.069,282 9.474,283 14.962,284 6.62,285 11.224,286 8.91,287 8.91,288 8.91,289 8.91,290 8.91,291 6.536,292 26.208,293 3.15,294 9.15,295 2.919,296 1.463,297 0.817,298 0.333,299 0.25,300 0.083,301 3.537,305 1,306 1,307 203,308 1.581,312 51.96,313 26.472,317 90.264,319 0.781,320 14.793,323 1,324 0.83,325 1,326 0.4,328 1,329 1,330 0.75,331 35,332 92,333 4.418,334 3.62,335 6.511,336 4.063,337 3.089,338 4.022,339 1.058,340 10.209,341 3.01,342 4.077,343 2.93,344 6.067,345 3.657,346 2.673,347 3.697,348 0.4,349 8.753,350 2.627,351 3.469,352 2.635,353 5.177,354 3.099,355 2.133,356 2.699,358 6.218,359 2.046,360 2.975,361 1.733,362 4.222,363 2.505,364 1.535,365 2.17,367 3.723,368 1.487,369 2.881,370 1.512,371 3.893,372 2.417,373 1.434,374 2.046,376 3.305,377 1.407,378 2.747,379 1.358,380 3.601,381 2.266,382 1.295,383 1.852,385 2.932,386 1.255,387 2.529,388 1.29,389 3.549,390 2.003,391 1,392 1.478,394 2.449,395 0.996,396 1.521,397 0.605,398 2.878,399 1.144,400 0.168,401 0.215,403 0.411,404 0.162,405 1.156,406 0.137,407 2.723,408 0.853,409 -0.109,410 -0.132,412 -0.281,413 -0.105,414 0.789,415 -0.186,416 2,417 0.312,418 -0.71,419 -1.014,421 -1.673,422 -0.716,423 0.606,424 -0.802,425 2,426 0.093,427 -0.86,428 -1.204,430 -2.079,431 -0.813,432 0.47,433 -0.842,434 1.748,435 0.01,436 -1,437 -1.466,439 -2.449,440 -1.013,441 0.211,442 -1.165,443 1.665,444 -0.231,445 -1.209,446 -1.723,448 -3.221,449 -1.182,450 -0.262,451 -1.39,452 1.231,453 -0.594,454 -1.6,455 -2.156,457 -4.542,458 -1.606,459 -0.5,460 -1.669,461 1.091,462 -0.971,463 -1.915,464 -2.222,466 -5.195,467 -1.78,468 7.433,469 0.465,470 0.329,471 0.021,472 25.25,473 1.578,474 14.5,475 0.906,476 10.75,477 0.672,478 7.656,479 0.478,480 15.967,481 0.665,482 15.197,483 0.95,484 5.137,485 0.321,486 2.706,487 0.169,488 0.045,490 0.336,496 0.736,497 1.061,498 0.643,499 0.835,500 0.552,501 0.731,502 0.607,503 1.265,504 0.755,505 1.122,506 0.575,507 1.004,508 0.992,509 1.165,510 0.888,511 1.042,512 0.904,513 0.959,514 1.21,515 0.998,516 1.126,517 1.014,518 1.188,519 1.034,520 1.262,521 0.738,522 1.074,523 0.835,524 1.452,525 0.908,526 1.281,527 0.904,528 1.279,529 1.046,530 1.402,531 1.148,532 1.029,533 0.887,534 1.518,535 1.217,536 1.073,537 1.428,538 0.346,539 0.667,540 1.099,541 1.079,542 0.284,543 1.22,544 2.5,546 1.778,547 1,548 1.109,549 0.268,550 0.109,551 0.015,554 1856,555 5740,556 2.174,557 33.3,559 5,561 1,562 2,567 1.559,568 2.087,569 2.594,570 0.512,574 1,577 39.985,578 1.666,579 3.122,580 3.768,581 4.252,582 4.335,583 4.502,584 1.805,585 3.328,586 3.98,587 2.602,588 312.203,589 6.732,590 2618.89,592 1,595 110.039,596 1.198,597 3.954,598 0.139,600 0.071,601 0.036,602 0.05,603 0.017,604 0.014,605 0.005,608 0.331,609 0.67,610 1,611 0.5,612 61.927,613 -0.05,614 0.045,615 0.022,616 0.058,617 -0.058,618 0.058,619 0.118,620 -0.216,621 -0.033,622 -0.209,623 0.025,624 -0.173,625 -0.071,626 -0.16,627 -0.004,628 -0.125,629 -0.061,630 -0.067,631 -0.034,632 -0.017,633 -0.139,634 -0.103,635 0.019,636 -0.128,637 -0.066,638 0.146,639 0.026,640 0.166,641 -0.045,642 0.126,643 -0.244,644 -0.046,645 -0.186,646 -0.026,647 -0.194,648 -0.08,649 -0.209,650 -0.045,651 -0.403,652 -0.179,653 -0.252,654 -0.304,655 0.243,656 -0.01,657 0.371,658 0.105,659 0.164,660 0.235,661 1.845,662 4.849,663 0.938,664 7.172,665 1.021,666 1.126,667 1.092,668 1.193,669 0.708,670 2.944,671 3.258,672 3.555,673 3.829,674 4.078,675 4.143,676 4.22,677 4.248,678 4.263,679 4.248,680 3.602,681 0.702,682 212.23,683 2.944,684 4.466,685 5.323,686 6.201,687 7.074,688 7.957,689 8.835,690 9.719,691 10.599,692 11.483,693 16.7,700 1,701 1,703 2,709 6,710 2,714 4,716 12,723 1,728 1,735 24,737 13,738 1,739 18,741 26,742 11,743 10,744 2,745 4,746 1,748 3,749 6,762 11,767 1,772 1,776 1,780 1,783 8,784 5,785 2,786 5,792 4,797 0.333,798 1,808 1,816 2,817 1,821 2,843 1,851 16,860 2,874 4.2,877 1,881 7.667,882 4.317,883 3.5,884 1.33,886 2.589,887 1.398,888 1.043,889 1.997,890 9.09,891 3.258,892 3.85,893 4.425,894 4.982,895 5.514,896 5.656,897 6.024,898 6.366,899 6.692,900 6.988,901 0.75,902 28,903 5.859,905 2.533,906 7.896,907 10.913,909 8.884,911 2.396,912 38.333,913 0.002,916 70.627,917 72.16,918 69.348,920 25.145,923 72.16,924 95.772,925 69.348,927 18.011,928 47.381,929 74.947,930 35.757,931 2.328,932 58.856,934 70.627,935 141.508,936 25.145,939 70.627,940 25.145,943 45.069,944 63.113,945 33.326,947 70.627,948 94.492,949 72.16,952 70.627,953 15.732,954 56.429,955 36.022,956 58.471,957 70.627,958 94.492,959 72.16,961 0.577,962 0.346,963 0.197,964 0.11,965 14,966 5,969 2,970 1.267,971 2.824,972 116.008,973 0.267,974 15,975 64,981 9.158,982 3.488,983 1.52,985 94.492,986 10.591,987 7.661,991 2.525,993 36.022,994 237.279,995 25,1000 11.849,1004 -0.178,1007 24.502,1008 27.033,1009 0.363,1010 0.681,1011 0.822,1012 0.927,1013 0.945,1014 0.982,1015 4.466,1016 0.168,1017 5.293,1018 2.449,1019 3.932,1020 4.533,1021 1.27,1022 6.103,1023 3.88,1024 5.665,1025 -0.109,1026 6.845,1027 0.411,1028 3.434,1029 4.205,1031 6.986,1032 3.372,1033 6.963,1034 -0.71,1035 8.502,1036 -0.281,1037 5.509,1038 6.696,1039 1.27,1040 10.109,1041 5.404,1042 8.298,1043 -0.86,1044 10.222,1045 -1.673,1046 5.861,1047 7.192,1049 11.832,1050 5.746,1051 9.664,1052 -1,1053 11.982,1054 -2.079,1055 7.381,1056 9.133,1057 1.34,1058 14.437,1059 7.229,1060 11.054,1061 -1.209,1062 13.768,1063 -2.449,1064 8.137,1065 10.032,1067 16.491,1068 7.97,1069 12.462,1070 -1.6,1071 15.573,1072 -3.221,1073 9.418,1074 11.713,1075 1.423,1076 18.911,1077 9.219,1078 3.089,1079 -1.915,1080 17.39,1081 -4.542,1082 10.365,1083 12.823,1085 21.106,1086 10.147,1087 2.673,1088 10.209,1089 19.217,1090 -5.195,1091 11.544,1092 14.367,1093 1.51,1094 23.456,1095 11.298,1096 2.133,1097 8.753,1098 21.05,1099 4.022,1100 12.582,1101 15.592,1103 25.714,1104 12.312,1105 1.535,1106 6.218,1107 22.888,1108 3.697,1109 13.72,1110 17.062,1111 1.599,1112 28.038,1113 13.423,1114 1.434,1115 3.723,1116 24.731,1117 2.699,1118 14.8,1119 18.352,1121 30.325,1122 14.477,1123 1.295,1124 3.305,1125 26.577,1126 2.17,1127 15.923,1128 19.781,1129 1.69,1130 32.641,1131 15.574,1132 1,1133 2.932,1134 28.425,1135 2.046,1136 17.023,1137 21.108,1139 34.942,1140 16.648,1141 1804,1142 3266,1143 12.425,1144 17,1145 27.011,1146 27.812,1147 27.352,1148 26.665,1149 26.654,1150 36.358,1151 2.917,1152 76.003,1153 25.981,1154 5.241,1155 5.62,1156 6.197,1157 5.1,1158 5.089,1159 7.022,1160 2.117,1161 16.965,1162 5.01,1163 4.27,1164 1.501,1165 1.545,1166 1.52,1167 1.481,1168 1.481,1169 2.02,1170 0.162,1171 4.222,1172 1.443,1173 4.001,1174 4.04,1175 3.964,1176 3.886,1177 7.429,1178 3.898,1179 3.759,1180 3.799,1181 3.708,1182 3.655,1183 5.044,1184 3.664,1185 3.268,1186 3.318,1187 3.221,1188 2.991,1189 4.743,1190 3.034,1191 3.058,1192 3.139,1193 2.954,1194 2.853,1195 4.035,1196 2.869,1197 2.798,1198 2.852,1199 2.692,1200 2.625,1201 3.936,1202 2.64,1203 2.65,1204 2.713,1205 2.537,1206 2.501,1207 3.753,1208 2.507,1209 2.443,1210 2.55,1211 2.346,1212 2.082,1213 3.469,1214 2.141,1215 1.968,1216 2.075,1217 1.768,1218 1.524,1219 3.253,1220 1.553,1221 0.245,1222 0.201,1223 0.362,1224 0.226,1225 0.172,1226 4.418,1227 0.223,1228 3.62,1229 0.059,1230 6.511,1231 0.567,1232 4.063,1233 0.167,1234 3.089,1235 4.022,1236 1.058,1237 10.209,1238 3.01,1239 1.888,1240 1.857,1241 1.994,1242 1.998,1243 1.08,1244 1.997,1245 1.784,1246 1.75,1247 1.856,1248 1.955,1249 0.896,1250 1.927,1251 1.131,1252 1.08,1253 1.287,1254 1.435,1255 0.278,1256 1.39,1257 1.016,1258 0.947,1259 1.228,1260 1.26,1261 0.258,1262 1.257,1263 0.806,1264 0.753,1265 1.06,1266 0.997,1267 0.086,1268 1.022,1269 0.527,1270 0.462,1271 0.718,1272 0.823,1274 0.798,1275 0.234,1276 0.15,1277 0.61,1278 0.547,1280 0.562,1281 0.015,1283 0.455,1284 0.484,1286 0.488,1287 3.611,1289 4.92,1291 6.438,1292 2.708,1293 8.046,1294 5.38,1295 9.696,1305 5.886,1314 16.854,1315 39.985,1316 74.92,1317 90.429,1318 102.039,1319 104.039,1320 108.039,1321 18.185,1322 6.501,1323 74.43,1324 74.43,1325 19,1326 12.017,1327 3.807,1328 3,1329 21.588,1330 39,1331 22,1332 0.324,1333 104.788,1334 174.29,1335 247.442,1336 4976,1338 10.958,1339 0.685,1340 0.517,1341 10.958,1342 8.267,1343 7.843,1344 0.436,1345 0.269,1346 4.759,1347 7.514,1348 4.696,1349 3.894,1350 7.843,1351 4.835,1352 6.962,1353 0.278,1354 0.137,1355 6.962,1356 3.418,1357 6.045,1358 0.178,1359 0.07,1360 6.045,1361 2.394,1362 5.224,1363 0.116,1364 0.036,1365 5.224,1366 1.626,1367 4.384,1368 0.076,1369 0.019,1370 4.384,1371 1.087,1372 0.468,1373 49.408,1374 0.284,1375 15.539,1376 1.014,1377 86,1378 275.691,1379 95.486,1380 269.938,1381 372.2,1382 252,1383 102,1384 282.253,1385 111.959,1386 284.154,1387 413.26,1388 268,1389 5.2}
{0 CHEMBL1971943,1 1.926,2 10.464,3 4.448,4 19.786,5 102.632,6 9.825,7 0.71,8 3.88,9 3.988,10 3.657,11 3.402,12 5.194,13 3.444,14 4.339,15 4.472,16 4.081,17 3.761,18 5.725,19 3.801,20 4.544,21 4.693,22 4.13,23 3.822,24 5.952,25 3.861,26 4.546,27 4.71,28 4.142,29 3.783,30 6.074,31 3.803,32 4.523,33 4.703,34 3.867,35 3.773,36 5.836,37 3.757,38 4.462,39 4.641,40 4.022,41 3.733,42 5.927,43 3.751,44 4.461,45 4.638,46 4.008,47 3.595,48 6.061,49 3.641,50 4.319,51 4.538,52 3.724,53 3.265,54 5.98,55 3.288,56 0.232,57 0.799,58 4.272,59 3.045,60 18.827,61 2.831,62 0.445,63 1.214,64 9.138,65 5.292,66 34.447,67 5.428,68 0.868,69 1.372,70 14.115,71 6.205,72 73.679,73 5.567,74 0.941,75 1.472,76 15.714,77 6.658,78 88.193,79 6.98,80 0.848,81 1.366,82 19.21,83 7.071,84 80.864,85 6.605,86 0.679,87 1.491,88 15.013,89 7.064,90 68.464,91 7.639,92 0.874,93 1.532,94 16.621,95 6.431,96 88.674,97 6.144,98 1.108,99 1.061,100 18.872,101 5.611,102 144.33,103 5.015,104 26,105 45,106 0.333,107 0.728,108 0.839,109 0.864,110 0.864,111 0.864,112 3.375,113 0.818,114 -4.44,115 -4.37,116 -4.12,119 43.9,120 1,142 4,143 2,144 5,145 1,147 2,150 1,151 1,161 1,163 1,164 1,165 1,172 2,174 1,175 7,177 2,178 4,180 5,183 4,188 4,193 1,196 1,199 1,200 5,203 2,204 1,205 4,207 1,208 3,210 2,216 1,221 4,225 2,230 2,233 4,235 2,237 1,238 3,243 4,246 2,255 1,263 1,264 3,266 1,267 2,268 1,269 1,272 2,276 1158,277 18.549,278 18.549,279 18.549,280 18.549,281 18.549,282 15.717,283 23.916,284 10.694,285 19.246,286 15.316,287 15.316,288 15.316,289 15.316,290 15.316,291 11.109,292 38.556,293 5.107,294 16.581,295 3.431,296 1.147,297 0.506,298 0.36,299 0.36,300 0.36,301 4.067,303 1,305 1,306 1,307 640,308 2.739,311 63.277,312 264.681,315 118.608,319 1.969,320 43.684,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 63.333,332 293,333 4.625,334 3.495,335 6.779,336 4.15,337 3.189,338 4.584,339 0.86,340 11.096,341 3.072,342 4.388,343 3.22,344 6.424,345 3.949,346 3.004,347 4.083,348 0.4,349 9.827,350 2.82,351 4.162,352 3.059,353 5.725,354 3.679,355 2.774,356 3.808,358 8.112,359 2.502,360 3.632,361 2.643,362 5.321,363 3.238,364 2.316,365 2.983,367 6.864,368 2.126,369 3.441,370 2.592,371 5.168,372 3.006,373 2.066,374 2.788,376 6.139,377 1.943,378 3.341,379 2.425,380 4.928,381 2.85,382 1.907,383 2.701,385 5.359,386 1.786,387 3.232,388 2.244,389 4.879,390 2.787,391 1.879,392 2.481,394 5.225,395 1.684,396 3.232,397 2.035,398 4.737,399 2.755,400 1.879,401 2.481,403 5.184,404 1.678,405 3.165,406 1.902,407 4.618,408 2.671,409 1.77,410 2.414,412 4.963,413 1.46,414 2.647,415 1.452,416 3.882,417 2.15,418 1.183,419 1.714,421 2.804,422 1.141,423 2.289,424 1.212,425 3.557,426 1.795,427 0.894,428 1.209,430 2.301,431 0.799,432 1.8,433 0.839,434 3.286,435 1.438,436 0.554,437 0.668,439 1.433,440 0.482,441 1.21,442 0.247,443 2.903,444 0.85,445 -0.068,446 -0.083,448 -0.198,449 -0.062,450 1,451 0.187,452 2.653,453 0.564,454 -0.347,455 -0.43,457 -0.891,458 -0.242,459 1,460 0.159,461 2.502,462 0.557,463 -0.347,464 -0.445,466 -0.898,467 -0.303,468 13.019,469 0.465,470 0.856,471 0.031,472 41,473 1.464,474 21.5,475 0.768,476 19.5,477 0.696,478 20.155,479 0.72,480 29.581,481 0.721,482 31.393,483 1.121,484 8.283,485 0.296,486 5.119,487 0.183,488 0.168,490 0.422,494 2,496 0.761,497 1.056,498 0.548,499 0.857,500 0.651,501 0.737,502 0.687,503 0.972,504 0.545,505 0.96,506 0.564,507 0.82,508 1.109,509 1.125,510 0.932,511 0.995,512 1.01,513 0.965,514 0.768,515 0.873,516 0.754,517 1.042,518 0.665,519 1.018,520 1.393,521 1.031,522 1.311,523 0.991,524 1.376,525 1.081,526 1.076,527 1.348,528 0.665,529 1.059,530 1.265,531 0.922,532 1.492,533 1.539,534 1.149,535 1.255,536 1.857,537 1.123,538 1.713,539 1.202,540 1.208,541 1.041,542 2.056,543 1.107,544 7,545 0.121,546 2.889,547 2.972,548 1.551,549 0.955,550 0.804,551 0.561,552 0.284,553 0.076,554 10024,555 36754,556 2.072,557 31.7,558 3,559 4,560 1,561 1,562 4,567 1.709,568 1.909,569 3.322,570 1.768,572 1,577 78.985,578 1.926,579 4.211,580 4.851,581 4.998,582 4.998,583 4.998,584 2.691,585 4.111,586 4.781,587 3.58,588 1353.15,589 8.304,590 17945.4,592 1,594 1,595 219.66,596 1.497,597 4.723,598 0.226,599 0.007,600 0.064,601 0.066,602 0.037,603 0.027,604 0.02,605 0.016,606 0.013,607 0.005,608 0.481,610 1,611 0.616,612 140.577,613 -0.137,614 -0.109,615 -0.012,616 0.01,617 -0.124,618 0.055,619 0.047,620 -0.038,621 0.124,622 -0.059,623 0.065,624 0.037,625 -0.084,626 -0.116,627 -0.128,628 -0.072,629 -0.09,630 -0.102,631 0.258,632 0.1,633 0.115,634 -0.08,635 0.273,636 -0.076,637 -0.303,638 0.006,639 -0.339,640 0.023,641 -0.268,642 -0.096,643 0.016,644 -0.198,645 0.191,646 -0.024,647 0.026,648 0.102,649 -0.055,650 -0.184,651 -0.108,652 -0.223,653 -0.121,654 -0.191,655 -0.032,656 0.212,657 -0.056,658 0.015,659 -0.041,660 -0.114,661 2.561,662 6.573,663 0.75,664 26.214,665 1.042,666 1.144,667 3.212,668 10.32,669 0.708,670 3.466,671 3.829,672 4.094,673 4.407,674 4.554,675 4.654,676 4.71,677 4.86,678 4.913,679 5.004,680 6.64,681 0.709,682 402.82,683 3.466,684 5.03,685 5.889,686 6.788,687 7.658,688 8.559,689 9.434,690 10.336,691 11.214,692 12.116,693 14.6,697 1,701 2,703 3,708 2,709 6,710 3,711 1,714 9,716 22,727 1,728 1,733 1,734 3,735 41,737 22,738 1,739 31,741 44,742 18,743 17,744 4,745 2,748 4,749 5,750 1,754 1,762 17,763 1,780 1,781 2,783 13,784 8,785 4,786 10,787 1,792 6,797 0.75,798 1,809 1,810 1,811 1,815 1,816 3,819 1,843 3,847 1,848 1,849 2,851 28,852 1,860 1,861 1,873 3,874 2.4,879 1,881 14.667,882 7.779,883 5.972,884 2.202,886 4.111,887 1.537,888 1.039,889 4.853,890 11.772,891 3.761,892 4.457,893 5.068,894 5.701,895 6.178,896 6.472,897 6.795,898 7.262,899 7.53,900 7.896,901 0.857,902 45,903 10.369,905 4.61,906 8.141,907 18.702,909 15.136,911 2.641,912 73.944,915 1,916 105.94,917 111.083,918 118.05,919 39.149,920 11,921 29.92,923 111.083,924 156.088,925 147.97,926 8.825,928 79.85,929 63.843,930 92.088,931 88.139,932 82.398,934 105.94,935 229.133,936 40.92,937 39.149,939 135.86,940 11,943 56.283,944 122.493,945 50.357,946 39.149,947 135.86,948 129.05,949 150.232,952 105.94,953 46.258,954 64.825,955 34.796,956 163.323,957 105.94,958 158.97,959 150.232,961 0.594,962 0.344,963 0.196,964 0.097,965 23,966 11,967 0.091,968 4,969 1,970 1.095,971 3.92,972 247.91,973 0.095,974 21,975 128.606,981 18.566,982 7.319,983 3.786,984 1.21,985 142.185,986 8.297,987 11.775,988 2.967,991 -0.855,993 67.693,994 415.142,995 42,1007 42.705,1008 46.899,1009 0.36,1010 0.786,1011 0.906,1012 0.933,1013 0.933,1014 0.933,1015 5.007,1016 1.879,1017 5.9,1018 5.225,1019 4.511,1020 5.145,1021 1.029,1022 6.732,1023 4.359,1024 6.258,1025 1.77,1026 7.473,1027 5.184,1028 4.205,1029 5.094,1031 7.639,1032 3.964,1033 7.591,1034 1.183,1035 9.139,1036 4.963,1037 6.129,1038 7.443,1039 0.763,1040 10.753,1041 5.861,1042 8.957,1043 0.894,1044 10.86,1045 2.804,1046 6.581,1047 8.172,1049 12.488,1050 6.245,1051 10.351,1052 0.554,1053 12.617,1054 2.301,1055 8.023,1056 10.029,1057 0.597,1058 15.129,1059 7.658,1060 11.766,1061 -0.068,1062 14.4,1063 1.433,1064 8.838,1065 11.148,1067 17.236,1068 8.42,1069 13.198,1070 -0.347,1071 16.204,1072 -0.198,1073 10.088,1074 12.797,1075 0.47,1076 19.708,1077 9.638,1078 3.189,1079 -0.347,1080 18.025,1081 -0.891,1082 11.076,1083 14.111,1085 21.976,1086 10.581,1087 3.004,1088 11.096,1089 19.86,1090 -0.898,1091 12.25,1092 15.67,1093 0.367,1094 24.388,1095 11.721,1096 2.774,1097 9.827,1098 21.707,1099 4.584,1100 13.317,1101 17.079,1103 26.725,1104 12.749,1105 2.316,1106 8.112,1107 23.563,1108 4.083,1109 14.463,1110 18.601,1111 0.283,1112 29.118,1113 13.86,1114 2.066,1115 6.864,1116 25.427,1117 3.808,1118 15.567,1119 20.059,1121 31.485,1122 14.927,1123 1.907,1124 6.139,1125 27.297,1126 2.983,1127 16.704,1128 21.567,1129 0.217,1130 33.875,1131 16.03,1132 1.879,1133 5.359,1134 29.173,1135 2.788,1136 17.825,1137 23.049,1139 36.256,1140 17.116,1141 9499,1142 18375,1143 20.403,1144 29.029,1145 47.392,1146 47.905,1147 48.931,1148 47.024,1149 46.829,1150 63.829,1151 2.52,1152 138.614,1153 42.99,1154 5.419,1155 5.495,1156 6.314,1157 5.246,1158 5.189,1159 7.584,1160 1.72,1161 18.002,1162 5.072,1163 15.214,1164 1.529,1165 1.545,1166 1.578,1167 1.517,1168 1.511,1169 2.059,1170 0.081,1171 4.471,1172 1.387,1173 4.117,1174 4.152,1175 4.09,1176 3.998,1177 8.211,1178 4.016,1179 3.944,1180 3.981,1181 3.991,1182 3.825,1183 8.191,1184 3.841,1185 3.796,1186 3.835,1187 3.863,1188 3.64,1189 5.263,1190 3.663,1191 3.429,1192 3.484,1193 3.358,1194 3.292,1195 5.081,1196 3.293,1197 3.148,1198 3.23,1199 3.314,1200 2.886,1201 4.812,1202 2.924,1203 3.073,1204 3.178,1205 3.065,1206 2.813,1207 4.65,1208 2.824,1209 2.987,1210 3.056,1211 2.917,1212 2.76,1213 4.453,1214 2.773,1215 2.937,1216 2.985,1217 2.913,1218 2.73,1219 4.334,1220 2.753,1221 0.149,1222 0.113,1223 0.219,1224 0.134,1225 0.103,1226 4.625,1227 0.148,1228 3.495,1229 0.028,1230 6.779,1231 0.358,1232 4.15,1233 0.099,1234 3.189,1235 4.584,1236 0.86,1237 11.096,1238 3.072,1239 1.909,1240 1.892,1241 1.968,1242 2.047,1243 1.097,1244 2.021,1245 1.833,1246 1.805,1247 1.904,1248 1.976,1249 1.024,1250 1.954,1251 1.696,1252 1.659,1253 1.752,1254 1.871,1255 0.775,1256 1.843,1257 1.555,1258 1.49,1259 1.738,1260 1.763,1261 0.744,1262 1.767,1263 1.117,1264 1.045,1265 1.386,1266 1.38,1267 0.391,1268 1.39,1269 1.003,1270 0.926,1271 1.254,1272 1.339,1273 0.18,1274 1.328,1275 0.885,1276 0.825,1277 1.055,1278 1.157,1279 0.072,1280 1.13,1281 0.832,1282 0.787,1283 1.035,1284 1.074,1285 0.067,1286 1.047,1287 4.143,1289 5.493,1290 2.398,1291 7.026,1292 4.727,1293 8.649,1294 6.823,1295 10.32,1297 1.839,1298 5.799,1299 29.145,1301 5.509,1305 2.727,1306 5.531,1314 29.071,1315 78.985,1316 172.64,1317 198.905,1318 204.905,1319 204.905,1320 204.905,1321 57.145,1322 7.661,1323 101.74,1324 101.74,1325 23,1326 12.641,1327 4.524,1328 3.585,1329 42.531,1330 113,1331 94,1332 0.186,1333 180.076,1334 302.66,1335 431.146,1336 22973,1337 7.3,1338 19.836,1339 0.708,1340 0.542,1341 18.596,1342 15.181,1343 13.402,1344 0.432,1345 0.273,1346 7.933,1347 12.408,1348 7.765,1349 6.406,1350 12.869,1351 8.449,1352 12.794,1353 0.284,1354 0.14,1355 12.133,1356 6.322,1357 10.278,1358 0.174,1359 0.07,1360 9.669,1361 4.121,1362 9.465,1363 0.117,1364 0.036,1365 8.899,1366 2.945,1367 6.717,1368 0.071,1369 0.018,1370 6.491,1371 1.715,1372 0.292,1373 88.557,1374 0.221,1375 26.71,1376 0.509,1377 152,1378 613.074,1379 190.946,1380 571.295,1381 758.95,1382 530,1383 180,1384 539.971,1385 212.271,1386 540.539,1387 795.27,1388 508,1389 6.3}
{0 CHEMBL1971947,1 1.549,2 15.257,3 4.989,4 24.894,5 142.353,6 8.493,7 0.718,8 4.132,9 4.24,10 3.85,11 3.802,12 5.34,13 3.766,14 4.578,15 4.712,16 4.2,17 4.181,18 5.772,19 4.119,20 4.788,21 4.953,22 4.245,23 4.284,24 5.929,25 4.201,26 4.834,27 5.029,28 4.247,29 4.246,30 5.969,31 4.149,32 4.784,33 4.973,34 4.112,35 4.17,36 5.945,37 4.073,38 4.718,39 4.911,40 4.094,41 4.119,42 5.877,43 4.034,44 4.696,45 4.883,46 4.046,47 4.107,48 5.821,49 4.016,50 4.65,51 4.851,52 3.947,53 4.059,54 5.713,55 3.948,56 0.038,57 0.789,58 9.105,59 4.452,60 11.001,61 5.201,62 0.203,63 1.241,64 16.846,65 7.762,66 23.24,67 9.384,68 0.143,69 1.515,70 21.724,71 9.611,72 32.164,73 11.423,74 0.141,75 1.597,76 27.515,77 11.099,78 34.13,79 13.648,80 0.235,81 1.511,82 28.249,83 10.768,84 47.078,85 11.992,86 0.186,87 1.412,88 24.784,89 9.788,90 42.984,91 11.415,92 0.278,93 1.424,94 24.104,95 8.983,96 43.82,97 10.356,98 0.125,99 1.304,100 22.629,101 9.682,102 25.552,103 12.235,104 10,105 54,106 0.247,107 0.596,108 0.751,109 0.86,110 0.879,111 0.885,112 3.588,113 0.906,114 -5.04,115 -4.94,116 -4.63,119 50,120 1,141 2,142 10,143 6,144 2,145 3,147 1,151 1,152 1,159 1,163 1,164 1,165 1,172 16,175 4,177 1,178 3,179 1,180 5,183 21,185 1,188 4,193 5,196 16,198 1,200 8,205 10,208 11,210 3,213 8,218 8,221 9,223 3,225 6,230 7,233 12,235 3,237 1,238 4,243 3,246 16,248 1,250 2,253 1,254 1,255 3,257 1,258 16,260 1,264 2,266 1,267 1,269 3,272 13,274 1,276 2471,277 23.947,278 23.947,279 23.947,280 23.947,281 23.947,282 20.226,283 21.7,284 14.252,285 24.351,286 19.292,287 19.292,288 19.292,289 19.292,290 19.292,291 13.738,292 25.957,293 6.823,294 19.933,295 4.258,296 2.072,297 1.098,298 0.42,299 0.299,300 0.263,301 4.297,306 1,307 1172,308 3.464,311 82.347,312 462.001,315 155.504,319 2.622,320 24.435,323 1,324 0.83,325 1,326 0.4,328 1,329 1,330 0.75,331 73.5,332 534,333 4.734,334 3.563,335 6.972,336 4.252,337 3.286,338 4.712,339 1.656,340 11.822,341 3.176,342 4.21,343 3.367,344 6.08,345 3.738,346 2.762,347 3.764,348 0.247,349 8.762,350 2.693,351 4.091,352 2.971,353 5.63,354 3.665,355 2.681,356 3.662,358 7.806,359 2.635,360 4.03,361 2.769,362 5.541,363 3.524,364 2.537,365 3.595,367 7.265,368 2.503,369 3.803,370 2.733,371 5.377,372 3.424,373 2.443,374 3.248,376 6.99,377 2.388,378 3.63,379 2.533,380 5.325,381 3.186,382 2.212,383 2.96,385 6.696,386 2.157,387 3.466,388 2.286,389 4.903,390 3.053,391 2.089,392 2.774,394 5.71,395 2.01,396 3.358,397 2.136,398 4.712,399 2.775,400 1.823,401 2.564,403 4.958,404 1.741,405 3.177,406 1.888,407 4.504,408 2.655,409 1.684,410 2.34,412 4.59,413 1.598,414 3.071,415 1.628,416 4.186,417 2.46,418 1.496,419 2.213,421 3.307,422 1.44,423 2.733,424 1.24,425 3.702,426 2.181,427 1.184,428 1.731,430 3.065,431 1.179,432 2.658,433 1.188,434 3.599,435 2.054,436 1.094,437 1.615,439 2.586,440 1.039,441 2.558,442 1.008,443 3.479,444 2,445 1,446 1.5,448 2.335,449 1,450 2.5,451 1,452 3.414,453 1.957,454 1,455 1.5,457 2.275,458 0.954,459 2.5,460 1,461 3.247,462 1.816,463 0.93,464 1.462,466 2.136,467 0.808,468 17.167,469 0.49,470 0.78,471 0.022,472 53,473 1.514,474 31,475 0.886,476 22,477 0.629,478 25.546,479 0.73,480 33.833,481 0.604,482 40.688,483 1.163,484 10.465,485 0.299,486 6.599,487 0.189,488 0.072,490 0.32,496 0.877,497 0.968,498 0.72,499 0.753,500 0.756,501 0.736,502 0.535,503 0.898,504 0.85,505 0.884,506 0.528,507 0.86,508 1.106,509 1.055,510 0.953,511 0.954,512 1.025,513 1.005,514 0.874,515 1.143,516 0.935,517 1.074,518 0.832,519 0.983,520 1.528,521 1.035,522 1.283,523 1.102,524 1.556,525 1.005,526 1.309,527 1.037,528 1.034,529 0.967,530 1.335,531 0.912,532 1.366,533 0.978,534 1.173,535 1.018,536 1.416,537 1.004,538 0.584,539 1.057,540 0.978,541 1.109,542 0.613,543 1.069,544 6.5,545 0.136,546 3.333,547 2.09,548 1.895,549 1.15,550 0.611,551 0.473,552 0.399,553 0.293,554 21094,555 57130,556 2.141,557 37.5,558 3,559 10,560 1,561 3,562 4,567 1.763,568 2.039,569 3.864,570 1.463,577 86.758,578 1.549,579 3.735,580 4.709,581 5.388,582 5.508,583 5.544,584 3.386,585 4.651,586 5.094,587 4.073,588 2423.39,589 8.925,590 39611,595 325.212,596 1.271,597 5.076,598 0.167,599 0.004,600 0.062,601 0.039,602 0.037,603 0.025,604 0.013,605 0.011,606 0.01,607 0.008,608 0.376,609 0.17,610 0.75,611 0.45,612 192.914,613 -0.11,614 0.06,615 0.036,616 0.098,617 -0.132,618 0.075,619 0.26,620 0.111,621 0.024,622 0.042,623 0.127,624 0.015,625 -0.154,626 -0.057,627 -0.064,628 -0.028,629 -0.132,630 -0.095,631 0.054,632 -0.162,633 0.122,634 -0.045,635 0.097,636 0.009,637 -0.213,638 -0.024,639 -0.139,640 -0.038,641 -0.114,642 -0.034,643 -0.125,644 -0.036,645 0.013,646 0.043,647 -0.054,648 0.056,649 -0.194,650 0.055,651 -0.141,652 -0.026,653 -0.258,654 -0.065,655 0.148,656 -0.113,657 0.013,658 -0.102,659 0.089,660 -0.056,661 1.963,662 5.366,663 0.771,664 49.234,665 1,666 1.106,667 3.814,668 14.549,669 0.736,670 3.689,671 4.007,672 4.277,673 4.564,674 4.779,675 4.844,676 4.977,677 5.176,678 5.268,679 5.38,680 8.809,681 0.7,682 475.61,683 3.689,684 5.231,685 6.08,686 6.957,687 7.823,688 8.708,689 9.583,690 10.473,691 11.356,692 12.251,693 8.9,697 1,700 2,703 2,708 2,709 14,710 2,713 1,714 8,716 28,727 1,735 56,737 30,738 2,739 39,741 60,742 28,743 24,744 4,745 8,748 5,749 6,753 1,754 1,761 2,762 25,763 1,767 1,772 1,776 1,783 21,784 6,785 4,786 7,787 1,792 5,797 0.8,798 1,809 2,815 1,816 4,819 1,823 2,843 4,845 1,847 1,851 35,852 1,860 2,866 1,869 1,872 2,874 1.8,877 1,881 17.167,882 10.483,883 7.639,884 3.139,886 6.147,887 1.726,888 1.046,889 6.541,890 14.62,891 4.043,892 4.68,893 5.318,894 5.968,895 6.538,896 6.901,897 7.398,898 7.928,899 8.351,900 8.801,901 1,902 54,903 12.846,905 5.45,906 7.705,907 24.428,909 19.906,911 2.205,912 77.167,916 200.109,917 235.082,918 102.49,920 25.145,922 31.278,923 203.804,924 225.254,925 102.49,926 8.825,927 36.022,928 135.309,929 94.029,930 51.157,931 53.182,932 184.302,934 200.109,935 306.294,936 25.145,937 31.278,939 200.109,940 25.145,943 71.989,944 166.673,945 67.632,946 31.278,947 200.109,948 127.635,949 235.082,952 200.109,953 62.642,954 138.379,955 70.083,956 91.613,957 200.109,958 127.635,959 235.082,961 0.579,962 0.333,963 0.185,964 0.1,965 26,966 11,967 0.05,968 3,969 1,970 1.074,971 4.729,972 327.529,973 0.074,974 27,975 171.525,977 1,981 22.738,982 10.068,983 5.224,984 1.87,985 127.635,986 26.282,987 8.483,990 1.584,991 6.589,993 68.919,994 562.825,995 56,1000 12.366,1004 -0.297,1007 55.982,1008 61.943,1009 0.267,1010 0.643,1011 0.811,1012 0.928,1013 0.948,1014 0.955,1015 5.268,1016 1.823,1017 6.052,1018 5.71,1019 4.691,1020 5.368,1021 1.758,1022 6.847,1023 4.629,1024 6.499,1025 1.684,1026 7.594,1027 4.958,1028 4.205,1029 5.085,1030 1.195,1031 7.714,1032 4.138,1033 7.812,1034 1.496,1035 9.236,1036 4.59,1037 6.263,1038 7.622,1039 2.415,1040 10.838,1041 6.15,1042 9.161,1043 1.184,1044 10.941,1045 3.307,1046 6.608,1047 8.204,1048 2.324,1049 12.613,1050 6.478,1051 10.541,1052 1.094,1053 12.688,1054 3.065,1055 8.118,1056 10.172,1057 3.244,1058 15.271,1059 7.952,1060 11.944,1061 1,1062 14.468,1063 2.586,1064 8.87,1065 11.206,1066 3.407,1067 17.449,1068 8.675,1069 13.368,1070 1,1071 16.273,1072 2.335,1073 10.156,1074 12.922,1075 4.156,1076 19.966,1077 9.929,1078 3.286,1079 0.93,1080 18.099,1081 2.275,1082 11.116,1083 14.205,1084 4.464,1085 22.317,1086 10.853,1087 2.762,1088 11.822,1089 19.943,1090 2.136,1091 12.314,1092 15.809,1093 5.111,1094 24.795,1095 12.019,1096 2.681,1097 8.762,1098 21.803,1099 4.712,1100 13.381,1101 17.223,1102 5.504,1103 27.216,1104 13.048,1105 2.537,1106 7.806,1107 23.675,1108 3.764,1109 14.551,1110 18.783,1111 6.091,1112 29.685,1113 14.184,1114 2.443,1115 7.265,1116 25.558,1117 3.662,1118 15.672,1119 20.264,1120 6.531,1121 32.134,1122 15.266,1123 2.212,1124 6.99,1125 27.451,1126 3.595,1127 16.838,1128 21.81,1129 7.083,1130 34.601,1131 16.396,1132 2.089,1133 6.696,1134 29.351,1135 3.248,1136 17.987,1137 23.324,1138 7.551,1139 37.062,1140 17.507,1141 19583,1142 32424,1143 26.641,1144 41.222,1145 59.608,1146 59.295,1147 59.379,1148 57.735,1149 57.847,1150 81.476,1151 3.806,1152 163.958,1153 55.914,1154 5.6,1155 5.563,1156 6.774,1157 5.359,1158 5.286,1159 7.712,1160 2.912,1161 19.204,1162 5.176,1163 14.097,1164 1.528,1165 1.52,1166 1.523,1167 1.48,1168 1.483,1169 2.089,1170 0.098,1171 4.204,1172 1.434,1173 4.121,1174 4.132,1175 4.34,1176 4.129,1177 7.431,1178 4.089,1179 3.934,1180 3.968,1181 3.885,1182 3.861,1183 5.197,1184 3.857,1185 3.877,1186 3.91,1187 3.825,1188 3.807,1189 4.969,1190 3.807,1191 3.825,1192 3.859,1193 3.797,1194 3.753,1195 4.787,1196 3.746,1197 3.454,1198 3.498,1199 3.48,1200 3.315,1201 4.747,1202 3.309,1203 3.316,1204 3.346,1205 3.382,1206 3.148,1207 4.681,1208 3.179,1209 3.213,1210 3.279,1211 3.215,1212 3.069,1213 4.407,1214 3.056,1215 3.144,1216 3.222,1217 2.972,1218 2.984,1219 4.217,1220 2.968,1221 0.121,1222 0.091,1223 0.179,1224 0.109,1225 0.084,1226 4.734,1227 0.121,1228 3.563,1229 0.042,1230 6.972,1231 0.303,1232 4.252,1233 0.081,1234 3.286,1235 4.712,1236 1.656,1237 11.822,1238 3.176,1239 1.967,1240 1.949,1241 2.044,1242 2.049,1243 1.176,1244 2.047,1245 1.914,1246 1.885,1247 2.028,1248 2.009,1249 1.131,1250 2.015,1251 1.875,1252 1.853,1253 1.957,1254 1.964,1255 1.015,1256 1.968,1257 1.779,1258 1.75,1259 1.844,1260 1.896,1261 0.927,1262 1.891,1263 1.426,1264 1.41,1265 1.561,1266 1.616,1267 0.646,1268 1.59,1269 1.278,1270 1.224,1271 1.457,1272 1.441,1273 0.611,1274 1.476,1275 1.16,1276 1.125,1277 1.346,1278 1.381,1279 0.301,1280 1.401,1281 1.123,1282 1.074,1283 1.243,1284 1.265,1285 0.232,1286 1.283,1287 4.369,1289 5.687,1290 2.398,1291 7.195,1292 4.727,1293 8.792,1294 6.88,1295 10.438,1297 1.981,1301 6.267,1305 5.71,1313 6.333,1314 39.223,1315 86.758,1316 209.18,1317 263.728,1318 301.702,1319 308.457,1320 310.457,1321 50.997,1322 8.472,1323 92.93,1324 121.17,1325 29,1326 12.78,1327 4.954,1328 4.17,1329 52.506,1330 183,1331 177,1332 0.136,1333 244.649,1334 416.72,1335 588.704,1336 69167,1338 24.2,1339 0.691,1340 0.563,1341 24.554,1342 19.688,1343 17.064,1344 0.438,1345 0.302,1346 10.882,1347 16.236,1348 10.501,1349 8.769,1350 17.518,1351 11.775,1352 15.374,1353 0.285,1354 0.163,1355 15.898,1356 8.808,1357 12.761,1358 0.18,1359 0.09,1360 13.481,1361 6.371,1362 11.059,1363 0.116,1364 0.05,1365 12.001,1366 4.747,1367 8.819,1368 0.075,1369 0.026,1370 9.639,1371 3.112,1372 0.221,1373 109.56,1374 0.194,1375 32.911,1376 0.356,1377 186,1378 505.864,1379 218.961,1380 531.958,1381 738.94,1382 498,1383 218,1384 538.966,1385 249.368,1386 571.722,1387 828.89,1388 537,1389 6}
{0 CHEMBL1972119,1 1.838,2 11.933,3 3.429,4 11.758,5 104.359,6 8.696,7 0.515,8 4.014,9 4.126,10 3.692,11 3.489,12 5.219,13 3.527,14 4.571,15 4.724,16 4.13,17 3.861,18 6.206,19 3.89,20 4.763,21 4.959,22 4.113,23 3.992,24 5.963,25 3.994,26 4.801,27 5.007,28 4.151,29 3.965,30 6.193,31 3.969,32 4.791,33 5.001,34 4.073,35 3.888,36 6.153,37 3.903,38 4.712,39 4.932,40 3.911,41 3.737,42 6.106,43 3.735,44 4.548,45 4.782,46 3.7,47 3.598,48 5.786,49 3.592,50 4.423,51 4.616,52 3.773,53 3.522,54 6.103,55 3.537,56 0.23,57 0.956,58 7.166,59 4.059,60 29.469,61 4.441,62 1.089,63 1.796,64 16.851,65 6.795,66 145.556,67 7.565,68 0.797,69 1.666,70 22.412,71 7.947,72 72.024,73 9.819,74 0.946,75 1.823,76 23.802,77 8.588,78 98.098,79 10.477,80 0.908,81 1.722,82 24.853,83 8.491,84 90.628,85 10.057,86 1.103,87 1.438,88 24.725,89 7.664,90 110.383,91 9.229,92 0.859,93 1.156,94 22.098,95 6.576,96 106.79,97 8.037,98 1.058,99 1.024,100 17.89,101 5.321,102 158.147,103 6.592,104 18,105 47,106 0.311,107 0.646,108 0.756,109 0.833,110 0.856,111 0.856,112 3.44,113 0.84,114 -4.44,115 -4.37,116 -4.12,119 41.7,125 4,132 1,142 7,143 2,144 1,145 1,146 1,147 2,159 1,172 6,174 1,175 6,178 3,179 1,180 3,183 6,187 1,188 4,193 2,196 3,199 1,200 5,203 3,205 6,208 2,212 1,213 3,218 3,221 1,224 2,225 6,228 2,230 3,233 2,238 3,241 1,243 1,246 3,249 1,250 5,258 5,263 1,264 3,267 1,272 4,276 1416,277 20.04,278 20.04,279 20.04,280 20.04,281 20.04,282 17.946,283 26.632,284 11.859,285 20.773,286 16.348,287 16.348,288 16.348,289 16.348,290 16.348,291 13.13,292 39.846,293 5.645,294 17.585,295 3.747,296 1.758,297 1.108,298 0.656,299 0.516,300 0.516,301 4.136,305 1,306 1,307 776,308 3.808,312 350.796,316 135.163,319 1.747,320 50.961,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 69,332 358,333 4.696,334 4.47,335 7.295,336 4.319,337 3.417,338 4.572,339 3.825,340 12.505,341 3.155,342 4.213,343 3.57,344 6.47,345 3.867,346 2.941,347 3.738,348 1.656,349 9.972,350 2.701,351 4.172,352 3.132,353 6.17,354 3.817,355 2.891,356 3.539,357 0.86,358 9.184,359 2.651,360 3.753,361 3.047,362 5.524,363 3.457,364 2.515,365 2.967,366 0.8,367 7.382,368 2.353,369 3.487,370 2.524,371 5.354,372 3.127,373 2.189,374 2.705,375 0.247,376 6.686,377 2.036,378 3.264,379 2.278,380 4.807,381 2.848,382 1.898,383 2.448,385 5.293,386 1.767,387 3.118,388 2.222,389 4.393,390 2.619,391 1.687,392 2.427,394 4.271,395 1.565,396 2.922,397 1.618,398 4.264,399 2.585,400 1.618,401 1.996,403 3.76,404 1.556,405 2.776,406 1.544,407 4.077,408 2.283,409 1.306,410 1.903,412 3.531,413 1.268,414 2.653,415 1.438,416 3.54,417 2.212,418 1.259,419 1.709,421 2.797,422 1.192,423 2.422,424 1.256,425 3.454,426 1.952,427 1,428 1.384,430 2.389,431 0.946,432 2.192,433 1.155,434 3.429,435 1.952,436 1,437 1.162,439 2.353,440 0.942,441 2,442 1.134,443 3.247,444 1.904,445 1,446 1,448 2.136,449 0.897,450 1.372,451 0.612,452 3,453 1.009,454 0.074,455 0.09,457 0.201,458 0.069,459 1.18,460 0.51,461 2.744,462 0.759,463 -0.227,464 -0.302,466 -0.571,467 -0.221,468 13.524,469 0.451,470 0.843,471 0.028,472 39.75,473 1.325,474 19,475 0.633,476 20.75,477 0.692,478 22.711,479 0.757,480 33.276,481 0.693,482 33.517,483 1.117,484 8.18,485 0.273,486 6.235,487 0.208,488 0.088,489 0.037,490 0.288,493 3,496 0.66,497 1.127,498 0.626,499 1.119,500 0.579,501 0.925,502 0.591,503 0.776,504 0.765,505 0.927,506 0.393,507 0.929,508 0.787,509 0.924,510 0.875,511 0.931,512 0.609,513 0.929,514 0.794,515 0.978,516 0.902,517 1.067,518 0.812,519 1.04,520 1.021,521 1.141,522 0.957,523 1.106,524 1.017,525 1.023,526 1.039,527 0.874,528 1.077,529 0.985,530 1.139,531 1.034,532 1.099,533 0.88,534 1.02,535 0.848,536 1.118,537 0.871,538 0.735,539 0.613,540 0.886,541 0.751,542 0.77,543 0.853,544 6.5,545 0.141,546 3.333,547 2.438,548 1.538,549 1.118,550 0.667,551 0.372,552 0.21,553 0.238,554 12291,555 42872,556 2.079,557 37.5,559 15,561 1,562 2,567 1.727,568 1.946,569 3.537,570 0.309,572 1,577 88.216,578 1.838,579 3.826,580 4.477,581 4.929,582 5.069,583 5.069,584 2.949,585 4.123,586 4.883,587 3.72,588 1618.03,589 8.504,590 22730.8,592 1,594 1,595 268.078,596 1.524,597 4.832,598 0.197,599 0.005,600 0.071,601 0.051,602 0.033,603 0.026,604 0.019,605 0.012,606 0.007,607 0.009,608 0.43,609 0.33,610 1,611 0.715,612 154.983,613 -0.073,614 -0.167,615 0.028,616 -0.088,617 -0.081,618 -0.009,619 0.297,620 0.241,621 0.059,622 0.052,623 0.385,624 -0.029,625 -0.1,626 -0.127,627 -0.007,628 0.013,629 -0.021,630 0.038,631 0.039,632 -0.021,633 0.017,634 -0.107,635 0.038,636 -0.076,637 -0.117,638 -0.223,639 0.009,640 -0.146,641 -0.065,642 -0.043,643 -0.022,644 0.05,645 -0.056,646 -0.044,647 -0.07,648 -0.066,649 -0.157,650 -0.023,651 0.013,652 0.099,653 -0.153,654 0.135,655 0.253,656 0.207,657 0.088,658 0.17,659 0.305,660 0.081,661 5.794,662 5.457,663 0.733,664 27.227,665 1.037,666 1.151,667 3.213,668 10.325,669 0.663,670 3.526,671 3.871,672 4.111,673 4.394,674 4.615,675 4.615,676 4.736,677 4.82,678 4.828,679 4.86,680 7.138,681 0.665,682 417.43,683 3.526,684 5.081,685 5.927,686 6.819,687 7.683,688 8.577,689 9.449,690 10.343,691 11.219,692 12.114,693 10.4,699 1,700 2,703 2,708 2,709 8,710 2,714 4,716 17,730 1,735 48,737 18,738 1,739 33,741 51,742 20,743 14,744 3,745 3,748 4,749 5,753 1,754 1,759 1,762 15,763 5,767 1,772 1,776 1,780 1,781 3,783 18,784 10,785 2,786 10,792 5,797 0.75,798 2,809 2,816 4,820 1,842 1,843 3,849 3,851 30,858 4,860 2,861 1,864 1,865 1,873 3,874 4.2,877 1,878 1,881 15.417,882 8.529,883 6.444,884 2.754,886 3.502,887 1.45,888 1.006,889 5.754,890 11.29,891 3.773,892 4.369,893 4.938,894 5.557,895 6.113,896 6.345,897 6.724,898 7.058,899 7.31,900 7.358,901 0.875,902 48,903 11.621,905 5.52,906 8.247,907 20.339,909 16.591,911 2.747,912 82.417,915 1,916 188.338,917 116.128,918 72.717,920 36.145,921 44.88,923 116.128,924 224.482,925 117.597,927 49.418,928 66.334,929 81.487,930 67.711,931 8.932,932 176.567,933 7.76,934 188.338,935 188.845,936 81.025,939 188.338,940 70.025,941 11,943 68.369,944 86.905,945 33.571,947 233.218,948 108.862,949 116.128,952 196.097,953 32.987,954 78.505,955 36.022,956 114.596,957 188.338,958 153.742,959 116.128,961 0.586,962 0.332,963 0.187,964 0.103,965 23,966 10,967 0.059,968 3,969 1,970 1.091,971 4.112,972 268.153,973 0.091,974 22,975 138.452,981 20.392,982 8.465,983 4.664,984 -0.034,985 153.742,986 11.627,987 8.267,991 0.392,993 36.022,994 458.208,995 42.5,1000 12.457,1004 -0.619,1007 49.771,1008 55.251,1009 0.329,1010 0.685,1011 0.802,1012 0.882,1013 0.908,1014 0.908,1015 5.026,1016 1.618,1017 5.943,1018 4.271,1019 4.554,1020 5.056,1021 3.335,1022 6.792,1023 4.418,1024 6.241,1025 1.306,1026 7.528,1027 3.76,1028 4.29,1029 4.924,1030 3.956,1031 7.947,1032 4,1033 7.562,1034 1.259,1035 9.228,1036 3.531,1037 6.221,1038 7.267,1039 5.471,1040 11.002,1041 5.935,1042 8.92,1043 1,1044 11.001,1045 2.797,1046 6.77,1047 7.956,1048 6.701,1049 12.986,1050 6.328,1051 10.313,1052 1,1053 12.821,1054 2.389,1055 8.221,1056 9.819,1057 8.066,1058 15.639,1059 7.765,1060 11.731,1061 1,1062 14.675,1063 2.353,1064 9.131,1065 10.917,1066 9.391,1067 17.937,1068 8.543,1069 13.169,1070 0.074,1071 16.552,1072 2.136,1073 10.407,1074 12.574,1075 10.736,1076 20.479,1077 9.777,1078 3.417,1079 -0.227,1080 18.449,1081 0.201,1082 11.478,1083 13.881,1084 12.075,1085 22.903,1086 10.738,1087 2.941,1088 12.505,1089 20.359,1090 -0.571,1091 12.694,1092 15.448,1093 13.417,1094 25.418,1095 11.894,1096 2.891,1097 9.972,1098 22.282,1099 4.572,1100 13.837,1101 16.86,1102 14.758,1103 27.894,1104 12.942,1105 2.515,1106 9.184,1107 24.213,1108 3.738,1109 15.037,1110 18.392,1111 16.1,1112 30.406,1113 14.073,1114 2.189,1115 7.382,1116 26.153,1117 3.539,1118 16.214,1119 19.855,1120 17.441,1121 32.906,1122 15.163,1123 1.898,1124 6.686,1125 28.099,1126 2.967,1127 17.415,1128 21.374,1129 18.783,1130 35.421,1131 16.289,1132 1.687,1133 5.293,1134 30.051,1135 2.705,1136 18.609,1137 22.864,1138 20.124,1139 37.933,1140 17.401,1141 11661,1142 22036,1143 21.959,1144 31.841,1145 50.019,1146 50.276,1147 50.294,1148 49.769,1149 49.59,1150 63.28,1151 14.777,1152 144.919,1153 46.195,1154 5.696,1155 6.47,1156 7.097,1157 5.423,1158 5.417,1159 7.572,1160 5.335,1161 20.345,1162 5.155,1163 14.298,1164 1.516,1165 1.524,1166 1.524,1167 1.508,1168 1.503,1169 1.918,1170 0.448,1171 4.391,1172 1.4,1173 4.092,1174 4.12,1175 4.066,1176 4.012,1177 8.513,1178 4.02,1179 3.928,1180 3.977,1181 3.875,1182 3.779,1183 7.999,1184 3.796,1185 3.688,1186 3.74,1187 3.592,1188 3.478,1189 7.999,1190 3.492,1191 3.568,1192 3.61,1193 3.526,1194 3.41,1195 7.431,1196 3.423,1197 3.358,1198 3.404,1199 3.323,1200 3.091,1201 4.972,1202 3.136,1203 3.285,1204 3.335,1205 3.228,1206 3.022,1207 4.885,1208 3.07,1209 3.111,1210 3.206,1211 2.866,1212 2.941,1213 4.596,1214 2.91,1215 2.935,1216 2.999,1217 2.842,1218 2.704,1219 4.372,1220 2.725,1221 0.142,1222 0.135,1223 0.221,1224 0.131,1225 0.104,1226 4.696,1227 0.139,1228 4.47,1229 0.116,1230 7.295,1231 0.379,1232 4.319,1233 0.096,1234 3.417,1235 4.572,1236 3.825,1237 12.505,1238 3.155,1239 2.04,1240 2.019,1241 2.1,1242 2.135,1243 1.239,1244 2.124,1245 1.857,1246 1.813,1247 1.981,1248 2.038,1249 1.211,1250 2.023,1251 1.627,1252 1.573,1253 1.831,1254 1.856,1255 0.918,1256 1.847,1257 1.499,1258 1.46,1259 1.64,1260 1.69,1261 0.825,1262 1.664,1263 1.226,1264 1.177,1265 1.513,1266 1.512,1267 0.688,1268 1.478,1269 1.153,1270 1.076,1271 1.367,1272 1.418,1273 0.326,1274 1.429,1275 1.113,1276 1.064,1277 1.211,1278 1.376,1279 0.29,1280 1.343,1281 0.851,1282 0.793,1283 1.112,1284 1.145,1285 0.214,1286 1.134,1287 4.205,1289 5.541,1291 7.076,1293 8.701,1295 10.374,1299 39.693,1303 2.615,1305 5.198,1306 5.322,1309 2.043,1310 -4.544,1314 31.901,1315 88.216,1316 183.672,1317 214.917,1318 236.568,1319 243.323,1320 243.323,1321 64.944,1322 7.788,1323 79.38,1324 79.38,1325 24,1326 12.643,1327 4.248,1328 3.392,1329 47.179,1330 131,1331 124,1332 0.176,1333 192.256,1334 339.45,1335 460.864,1336 29004,1337 6.3,1338 21.14,1339 0.705,1340 0.525,1341 18.64,1342 15.739,1343 14.415,1344 0.437,1345 0.28,1346 9.021,1347 13.549,1348 8.954,1349 7.304,1350 13.204,1351 9.244,1352 13.689,1353 0.291,1354 0.141,1355 11.694,1356 6.618,1357 10.53,1358 0.176,1359 0.077,1360 9.776,1361 4.636,1362 9.261,1363 0.116,1364 0.041,1365 8.494,1366 3.245,1367 7.572,1368 0.076,1369 0.022,1370 6.889,1371 2.162,1372 0.28,1373 92.57,1374 0.213,1375 28.433,1376 0.473,1377 160,1378 695.405,1379 192.684,1380 582.621,1381 763.78,1382 542,1383 187,1384 535.878,1385 212.73,1386 518.71,1387 781.95,1388 488,1389 5.2}
{0 CHEMBL1972125,1 1.454,2 14.714,3 4.237,4 17.951,5 138.85,6 7.583,7 0.718,8 4.207,9 4.324,10 3.79,11 3.813,12 5.362,13 3.789,14 4.691,15 4.833,16 4.134,17 4.207,18 5.782,19 4.162,20 4.966,21 5.151,22 4.204,23 4.331,24 6.062,25 4.257,26 5.044,27 5.26,28 4.135,29 4.297,30 6.134,31 4.209,32 4.992,33 5.208,34 4.111,35 4.252,36 6.076,37 4.17,38 4.984,39 5.198,40 4.072,41 4.23,42 6.069,43 4.143,44 4.977,45 5.219,46 3.978,47 4.177,48 6.014,49 4.072,50 4.847,51 5.082,52 3.897,53 4.088,54 5.882,55 3.981,56 0.056,57 0.852,58 11.734,59 5.284,60 14.581,61 6.728,62 0.104,63 1.336,64 20.311,65 9.061,66 19.2,67 11.615,68 0.286,69 1.705,70 29.347,71 12.091,72 42.379,73 15.946,74 0.351,75 1.797,76 34.034,77 13.101,78 65.025,79 17.322,80 0.299,81 1.736,82 32.082,83 12.268,84 57.619,85 16.252,86 0.361,87 1.749,88 31.618,89 11.735,90 57.332,91 15.604,92 0.378,93 1.7,94 32.928,95 12.18,96 62.919,97 16.572,98 0.348,99 1.486,100 28.325,101 11.005,102 51.324,103 15.173,104 10,105 54,106 0.23,107 0.561,108 0.745,109 0.865,110 0.897,111 0.897,112 3.588,113 0.882,114 -4.46,115 -4.39,116 -4.14,119 47.5,121 1,125 1,127 1,142 13,143 6,144 2,145 2,151 1,152 1,157 1,163 2,164 2,165 2,172 18,175 4,180 6,183 20,185 3,187 1,188 7,190 1,191 1,193 6,196 17,198 3,200 8,202 1,203 1,205 4,208 11,210 3,213 8,217 1,218 5,220 1,221 11,223 5,225 5,227 1,228 2,230 6,233 12,235 6,237 1,238 4,240 1,241 1,243 3,246 11,248 3,249 1,250 5,252 1,253 1,255 3,258 9,260 2,264 5,267 1,269 3,272 9,274 2,276 2332,277 23.999,278 23.999,279 23.999,280 23.999,281 23.999,282 20.625,283 13.045,284 14.271,285 24.243,286 19.265,287 19.265,288 19.265,289 19.265,290 19.265,291 14.238,292 11.877,293 6.796,294 19.657,295 4.477,296 2.382,297 1.221,298 0.465,299 0.262,300 0.262,301 4.296,306 1,307 1138,308 3.674,311 87.432,312 466.597,315 162.841,319 2.31,320 30.429,323 1,324 0.83,325 1,326 0.6,328 1,329 1,330 0.78,331 74,332 515,333 4.527,334 3.609,335 6.605,336 4.118,337 3.109,338 4.474,339 0.86,340 10.408,341 3.135,342 4.47,343 3.162,344 6.533,345 4.058,346 3.072,347 4.137,349 10.301,350 3.03,351 4.195,352 3.004,353 6.151,354 3.824,355 2.831,356 3.781,358 9.091,359 2.813,360 3.89,361 2.767,362 5.635,363 3.471,364 2.501,365 3.456,367 7.368,368 2.43,369 3.622,370 2.517,371 5.349,372 3.353,373 2.38,374 2.97,376 6.866,377 2.304,378 3.501,379 2.38,380 5.244,381 3.177,382 2.212,383 2.805,385 6.525,386 2.122,387 3.216,388 2.163,389 4.799,390 2.82,391 1.839,392 2.474,394 5.205,395 1.802,396 3.133,397 1.975,398 4.486,399 2.757,400 1.748,401 2.319,403 4.316,404 1.758,405 3.045,406 1.576,407 4.303,408 2.518,409 1.546,410 2.235,412 3.964,413 1.501,414 2.883,415 1.546,416 4.145,417 2.412,418 1.459,419 2.033,421 3.706,422 1.386,423 2.758,424 1.327,425 3.773,426 2.303,427 1.305,428 1.872,430 3.055,431 1.302,432 2.618,433 1.314,434 3.582,435 2.144,436 1.155,437 1.671,439 2.748,440 1.141,441 2.589,442 1.216,443 3.489,444 2.05,445 1.105,446 1.631,448 2.55,449 1.04,450 2.5,451 1.125,452 3.328,453 2,454 1,455 1.5,457 2.136,458 1,459 2.338,460 1,461 3.247,462 1.764,463 0.713,464 1.11,466 1.744,467 0.744,468 16.767,469 0.479,470 0.763,471 0.022,472 50.25,473 1.436,474 28.5,475 0.814,476 21.75,477 0.621,478 26.428,479 0.755,480 35.433,481 0.581,482 40.383,483 1.154,484 10.127,485 0.289,486 6.953,487 0.199,488 0.068,490 0.328,496 0.896,497 0.974,498 0.799,499 0.862,500 0.852,501 0.815,502 0.971,503 1.073,504 0.904,505 1.012,506 0.735,507 0.961,508 0.98,509 1.072,510 0.999,511 1.081,512 0.878,513 1.052,514 1.264,515 1.022,516 1.027,517 1.015,518 1.216,519 1.001,520 1.249,521 1.052,522 1.01,523 1.016,524 1.35,525 0.993,526 1.264,527 1.078,528 1.125,529 1.07,530 1.095,531 1.076,532 1.115,533 0.936,534 1.005,535 0.948,536 1.021,537 0.96,538 0.753,539 1.022,540 0.928,541 1.007,542 0.602,543 0.993,544 6,545 0.186,546 4,547 2.292,548 1.644,549 1.174,550 0.646,551 0.523,552 0.28,553 0.197,554 20982,555 51748,556 2.141,557 42.6,559 16,560 1,561 2,562 5,564 2,567 1.764,568 2.039,569 3.826,570 2.19,577 88.682,578 1.454,579 3.548,580 4.71,581 5.466,582 5.668,583 5.668,584 3.258,585 4.958,586 5.103,587 4.012,588 2387.11,589 8.937,590 38886.1,595 361.775,596 1.271,597 5.076,598 0.154,599 0.006,600 0.074,601 0.042,602 0.033,603 0.024,604 0.014,605 0.012,606 0.007,607 0.005,608 0.371,610 0.75,611 0.45,612 192.419,613 -0.096,614 0.122,615 0.023,616 0.098,617 -0.145,618 0.085,619 -0.08,620 -0.04,621 -0.038,622 -0.031,623 -0.05,624 -0.028,625 0.049,626 -0.076,627 -0.058,628 -0.099,629 0.035,630 -0.094,631 -0.051,632 -0.054,633 -0.024,634 -0.031,635 0.022,636 -0.027,637 -0.068,638 -0.066,639 -0.013,640 -0.041,641 -0.053,642 -0.025,643 -0.062,644 -0.061,645 -0.13,646 -0.114,647 -0.061,648 -0.127,649 -0.003,650 0.042,651 0.019,652 0.029,653 -0.013,654 0.027,655 0.195,656 -0.06,657 0.071,658 -0.015,659 0.152,660 0.009,661 1.784,662 5.971,663 0.771,664 41.54,665 0.996,666 1.114,667 3.233,668 10.45,669 0.694,670 3.689,671 4.007,672 4.29,673 4.543,674 4.754,675 4.762,676 4.883,677 4.963,678 4.99,679 5.063,680 8.568,681 0.661,682 462.59,683 3.689,684 5.231,685 6.084,686 6.957,687 7.825,688 8.702,689 9.575,690 10.453,691 11.329,692 12.208,693 6.6,694 1,697 1,701 1,703 1,708 2,709 16,710 1,711 1,714 7,716 28,721 1,727 1,733 1,735 61,737 29,738 3,739 39,741 65,742 29,743 25,744 6,745 12,746 1,748 5,749 6,760 2,762 26,763 3,767 1,772 1,776 1,783 26,784 5,785 5,786 6,792 4,797 0.8,798 2,809 1,811 1,815 1,816 4,819 1,836 1,843 4,851 35,852 2,858 2,861 1,863 1,874 3.3,877 1,879 1,881 17.167,882 10.617,883 7.667,884 3.446,886 5.182,887 1.624,888 1.032,889 6.621,890 13.49,891 4.007,892 4.632,893 5.259,894 5.851,895 6.373,896 6.58,897 6.984,898 7.32,899 7.494,900 7.804,901 0.9,902 55,903 12.928,905 5.563,906 7.7,907 24.681,909 20.484,911 2.2,912 77,916 247.193,917 191.239,918 99.365,920 36.145,923 191.239,924 283.338,925 99.365,927 40.024,928 165.136,929 70.606,930 72.381,931 13.915,932 211.88,934 247.193,935 290.604,936 36.145,939 223.651,940 59.687,943 74.904,944 198.914,945 16.786,947 247.193,948 135.51,949 191.239,952 247.193,953 40.906,954 150.333,955 16.786,956 118.725,957 247.193,958 135.51,959 191.239,961 0.579,962 0.343,963 0.188,964 0.102,965 26,966 11,967 0.123,968 8,969 1,970 1.074,971 4.694,972 328.215,973 0.074,974 27,975 175.525,981 22.85,982 10.141,983 5.116,984 2.275,985 118.725,986 29.995,987 4.324,988 3.28,991 4.933,993 82.58,994 573.942,995 54,1000 12.971,1004 -0.117,1007 60.781,1008 67.979,1009 0.245,1010 0.598,1011 0.794,1012 0.922,1013 0.956,1014 0.956,1015 5.226,1016 1.748,1017 6.057,1018 5.205,1019 4.691,1020 5.321,1021 0.908,1022 6.855,1023 4.657,1024 6.435,1025 1.546,1026 7.606,1027 4.316,1028 4.205,1029 5.037,1031 7.724,1032 4.177,1033 7.737,1034 1.459,1035 9.258,1036 3.964,1037 6.271,1038 7.548,1039 0.739,1040 10.835,1041 6.218,1042 9.078,1043 1.305,1044 10.97,1045 3.706,1046 6.635,1047 8.14,1049 12.556,1050 6.596,1051 10.452,1052 1.155,1053 12.723,1054 3.055,1055 8.139,1056 10.079,1057 0.593,1058 15.165,1059 8.081,1060 11.851,1061 1.105,1062 14.503,1063 2.748,1064 8.899,1065 11.101,1067 17.231,1068 8.856,1069 13.27,1070 1,1071 16.304,1072 2.55,1073 10.172,1074 12.785,1075 0.469,1076 19.664,1077 10.117,1078 3.109,1079 0.713,1080 18.119,1081 2.136,1082 11.12,1083 14.028,1085 21.877,1086 11.077,1087 3.072,1088 10.408,1089 19.946,1090 1.744,1091 12.296,1092 15.594,1093 0.366,1094 24.245,1095 12.248,1096 2.831,1097 10.301,1098 21.781,1099 4.474,1100 13.334,1101 16.95,1103 26.522,1104 13.293,1105 2.501,1106 9.091,1107 23.623,1108 4.137,1109 14.471,1110 18.462,1111 0.283,1112 28.866,1113 14.429,1114 2.38,1115 7.368,1116 25.472,1117 3.781,1118 15.551,1119 19.877,1121 31.172,1122 15.514,1123 2.212,1124 6.866,1125 27.324,1126 3.456,1127 16.674,1128 21.367,1129 0.217,1130 33.507,1131 16.639,1132 1.839,1133 6.525,1134 29.181,1135 2.97,1136 17.774,1137 22.812,1139 35.827,1140 17.743,1141 19336,1142 30514,1143 26.641,1144 42.307,1145 59.042,1146 59.901,1147 59.645,1148 58.294,1149 58.325,1150 79.953,1151 1.72,1152 165.483,1153 57.196,1154 5.429,1155 5.609,1156 6.407,1157 5.184,1158 5.109,1159 7.474,1160 1.72,1161 17.488,1162 5.135,1163 13.709,1164 1.514,1165 1.536,1166 1.529,1167 1.495,1168 1.496,1169 2.05,1170 0.044,1171 4.243,1172 1.467,1173 4.132,1174 4.167,1175 4.086,1176 4.051,1177 7.427,1178 4.055,1179 4.03,1180 4.052,1181 3.99,1182 3.968,1183 5.106,1184 3.971,1185 3.883,1186 3.91,1187 3.827,1188 3.815,1189 5.041,1190 3.813,1191 3.749,1192 3.785,1193 3.685,1194 3.635,1195 4.946,1196 3.644,1197 3.611,1198 3.674,1199 3.491,1200 3.475,1201 4.916,1202 3.47,1203 3.371,1204 3.435,1205 3.259,1206 3.208,1207 4.724,1208 3.213,1209 3.205,1210 3.216,1211 3.149,1212 3.063,1213 4.455,1214 3.078,1215 3.074,1216 3.151,1217 2.964,1218 2.889,1219 4.327,1220 2.898,1221 0.116,1222 0.093,1223 0.169,1224 0.106,1225 0.08,1226 4.527,1227 0.115,1228 3.609,1229 0.022,1230 6.605,1231 0.267,1232 4.118,1233 0.08,1234 3.109,1235 4.474,1236 0.86,1237 10.408,1238 3.135,1239 1.995,1240 1.978,1241 2.074,1242 2.076,1243 1.259,1244 2.076,1245 1.942,1246 1.918,1247 2.041,1248 2.02,1249 1.187,1250 2.028,1251 1.878,1252 1.852,1253 1.99,1254 1.971,1255 1.074,1256 1.977,1257 1.724,1258 1.689,1259 1.888,1260 1.893,1261 1.054,1262 1.896,1263 1.661,1264 1.612,1265 1.792,1266 1.814,1267 0.848,1268 1.812,1269 1.372,1270 1.307,1271 1.574,1272 1.617,1273 0.687,1274 1.611,1275 1.143,1276 1.126,1277 1.293,1278 1.319,1279 0.389,1280 1.309,1281 1.048,1282 0.992,1283 1.274,1284 1.3,1285 0.33,1286 1.287,1287 4.369,1289 5.687,1290 2.398,1291 7.2,1292 4.727,1293 8.797,1294 6.823,1295 10.438,1301 12.497,1303 1.046,1306 5.972,1308 -0.176,1314 40.31,1315 88.682,1316 216.45,1317 287.305,1318 333.41,1319 345.775,1320 345.775,1321 61.693,1322 8.309,1323 107.02,1324 107.02,1325 29,1326 12.746,1327 4.907,1328 4,1329 52.463,1330 182,1331 167,1332 0.137,1333 246.167,1334 418.58,1335 592.409,1336 59907,1338 24.2,1339 0.691,1340 0.547,1341 24.2,1342 19.148,1343 17.081,1344 0.438,1345 0.294,1346 11.36,1347 16.679,1348 11.111,1349 9.222,1350 17.081,1351 11.463,1352 15.228,1353 0.282,1354 0.158,1355 15.228,1356 8.541,1357 13.112,1358 0.182,1359 0.083,1360 13.112,1361 6.001,1362 10.889,1363 0.117,1364 0.045,1365 10.889,1366 4.178,1367 8.868,1368 0.077,1369 0.025,1370 8.868,1371 2.838,1372 0.222,1373 105.5,1374 0.194,1375 32.767,1376 0.357,1377 186,1378 484.074,1379 196.809,1380 481.882,1381 668.73,1382 452,1383 219,1384 497.654,1385 230.586,1386 512.233,1387 745.86,1388 483,1389 5.5}
{0 CHEMBL1972142,1 1.428,2 10.88,3 3.342,4 11.171,5 98.166,6 7.795,7 0.786,8 3.842,9 3.955,10 3.459,11 3.478,12 4.99,13 3.454,14 4.313,15 4.456,16 3.788,17 3.859,18 5.445,19 3.81,20 4.546,21 4.737,22 3.78,23 3.929,24 5.617,25 3.847,26 4.556,27 4.776,28 3.63,29 3.822,30 5.622,31 3.731,32 4.444,33 4.67,34 3.577,35 3.731,36 5.502,37 3.645,38 4.359,39 4.56,40 3.569,41 3.682,42 5.511,43 3.614,44 4.315,45 4.511,46 3.484,47 3.636,48 5.484,49 3.556,50 4.242,51 4.466,52 3.317,53 3.548,54 5.241,55 3.438,56 0.027,57 0.58,58 7.474,59 3.481,60 5.923,61 4.417,62 0.133,63 0.933,64 12.958,65 5.781,66 13.606,67 7.498,68 0.087,69 1.133,70 18.452,71 7.927,72 23.427,73 10.49,74 0.21,75 1.142,76 20.432,77 7.715,78 37.662,79 9.998,80 0.132,81 1.006,82 18.326,83 7.272,84 26.624,85 9.721,86 0.135,87 0.91,88 16.322,89 6.557,90 31.022,91 8.426,92 0.233,93 0.887,94 15.492,95 6.058,96 37.257,97 7.69,98 0.087,99 0.815,100 14.699,101 6.138,102 19.597,103 8.297,104 2,105 38,106 0.245,107 0.537,108 0.712,109 0.851,110 0.884,111 0.884,112 3.267,113 0.873,114 -4.48,115 -4.41,116 -4.16,119 50,125 1,142 11,143 5,145 1,151 1,158 1,161 1,172 16,175 3,178 2,180 4,183 17,188 5,193 5,196 12,200 5,205 5,208 7,213 6,218 4,221 9,225 4,230 3,233 11,237 1,238 2,241 1,243 3,246 12,250 1,255 2,258 11,264 1,267 1,268 1,272 9,276 913,277 17.361,278 17.361,279 17.361,280 17.361,281 17.361,282 14.721,283 7.745,284 10.436,285 17.511,286 13.853,287 13.853,288 13.853,289 13.853,290 13.853,291 9.905,292 9.649,293 4.983,294 14.07,295 3.964,296 2.26,297 1.239,298 0.429,299 0.238,300 0.238,301 3.969,304 1,305 1,306 1,307 605,308 2.828,311 59.653,312 230.821,315 101.42,319 1.814,320 15.934,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 52.5,332 272,333 4.469,334 3.564,335 6.316,336 4.015,337 3.028,338 4.391,339 1.081,340 9.665,341 2.995,342 4.235,343 3.002,344 6.103,345 3.82,346 2.831,347 3.872,348 0.473,349 8.907,350 2.795,351 3.925,352 2.729,353 5.882,354 3.56,355 2.57,356 3.449,358 8.11,359 2.539,360 3.847,361 2.665,362 5.337,363 3.46,364 2.459,365 3.283,367 6.952,368 2.457,369 3.206,370 2.017,371 4.528,372 2.734,373 1.743,374 2.477,376 4.614,377 1.723,378 3.034,379 1.646,380 4.345,381 2.495,382 1.534,383 2.301,385 4.173,386 1.491,387 2.924,388 1.534,389 4.037,390 2.481,391 1.501,392 2.095,394 3.442,395 1.448,396 2.737,397 1.406,398 3.604,399 2.239,400 1.257,401 1.825,403 3.003,404 1.23,405 2.57,406 1.155,407 3.474,408 2.089,409 1.098,410 1.567,412 2.511,413 1.085,414 2.5,415 1.055,416 3.426,417 2,418 1,419 1.5,421 2.323,422 1,423 2.5,424 1,425 3.247,426 1.973,427 1,428 1.5,430 2.136,431 0.97,432 1.901,433 1,434 3.035,435 1.425,436 0.429,437 0.609,439 1.013,440 0.422,441 1.754,442 0.409,443 2.92,444 1.354,445 0.406,446 0.532,448 0.956,449 0.384,450 0.922,451 -0.016,452 2.59,453 0.487,454 -0.501,455 -0.678,457 -1.271,458 -0.494,459 0.793,460 -0.475,461 2.237,462 0.408,463 -0.592,464 -0.758,466 -1.351,467 -0.589,468 12.033,469 0.481,470 0.465,471 0.019,472 37.25,473 1.49,474 21.5,475 0.86,476 15.75,477 0.63,478 15.067,479 0.603,480 24.567,481 0.585,482 25.744,483 1.03,484 7.633,485 0.305,486 4.66,487 0.186,488 0.028,490 0.291,496 0.77,497 1.053,498 0.746,499 0.864,500 0.595,501 0.806,502 0.678,503 1.007,504 0.912,505 0.981,506 0.617,507 0.97,508 0.882,509 1.22,510 0.993,511 1.161,512 0.873,513 1.105,514 1.494,515 0.991,516 1.136,517 0.981,518 1.546,519 1.011,520 1.079,521 0.965,522 0.906,523 0.953,524 1.09,525 0.917,526 1.404,527 0.993,528 0.95,529 0.962,530 1.578,531 0.923,532 1.462,533 0.898,534 1.137,535 0.978,536 1.756,537 1.023,538 0.845,539 1.064,540 0.981,541 1.085,542 0.91,543 1.059,544 4,545 0.037,546 2.667,547 0.944,548 0.902,549 0.802,550 0.334,551 0.215,552 0.212,553 0.096,554 8123,555 20222,556 2.179,557 40.5,559 13,560 1,561 1,562 2,567 1.677,568 2.113,569 3.44,570 0.194,571 1,572 1,577 59.997,578 1.428,579 3.132,580 4.153,581 4.964,582 5.154,583 5.154,584 2.923,585 4.324,586 4.615,587 3.59,588 1077.1,589 7.965,590 13293,591 1,592 1,594 1,595 226.477,596 1.078,597 4.606,598 0.143,599 0.003,600 0.07,601 0.026,602 0.03,603 0.028,604 0.012,605 0.008,606 0.01,607 0.005,608 0.334,609 0.33,610 1,611 0.372,612 121.867,613 -0.059,614 -0.005,615 0.036,616 0.044,617 -0.064,618 0.051,619 0.115,620 0.031,621 -0.079,622 -0.061,623 0.014,624 -0.088,625 -0.01,626 -0.253,627 -0.064,628 -0.194,629 0.01,630 -0.148,631 -0.203,632 0.003,633 -0.125,634 -0.017,635 -0.178,636 -0.053,637 -0.014,638 -0.007,639 0.103,640 0.036,641 0.052,642 0.078,643 -0.088,644 -0.04,645 0.044,646 0.019,647 -0.007,648 0.042,649 -0.03,650 0.088,651 -0.15,652 -0.018,653 -0.11,654 -0.087,655 0.003,656 -0.131,657 0.004,658 -0.084,659 -0.009,660 -0.048,661 1.749,662 5.441,663 0.84,664 22.822,665 0.996,666 1.11,667 3.254,668 10.587,669 0.71,670 3.367,671 3.664,672 3.932,673 4.159,674 4.357,675 4.382,676 4.522,677 4.615,678 4.644,679 4.718,680 6.478,681 0.678,682 327.41,683 3.367,684 4.89,685 5.733,686 6.592,687 7.448,688 8.311,689 9.173,690 10.039,691 10.905,692 11.773,693 7.1,700 1,701 1,703 1,708 2,709 13,710 1,711 1,714 4,716 22,723 1,735 42,737 23,738 2,739 28,741 45,742 21,743 19,744 3,745 9,746 1,748 4,749 5,762 20,763 1,767 1,772 1,776 1,779 1,780 1,783 17,784 3,785 2,786 4,792 3,797 0.75,798 1,809 1,811 1,815 1,816 3,819 1,843 3,851 25,858 1,860 1,874 2.4,877 1,881 11.833,882 7.45,883 5.5,884 2.415,886 4.073,887 1.554,888 1.047,889 4.216,890 11.431,891 3.714,892 4.334,893 4.955,894 5.54,895 6.069,896 6.335,897 6.809,898 7.224,899 7.489,900 7.889,901 1,902 36,903 9.208,905 3.918,906 7.667,907 17.651,909 14.501,911 2.167,912 54.167,915 1,916 176.567,917 146.174,918 51.582,920 25.145,923 146.174,924 201.711,925 51.582,927 20.116,928 113.286,929 60.122,930 41.148,931 11.771,932 153.024,934 176.567,935 197.756,936 25.145,939 176.567,940 25.145,943 47.665,944 133.306,945 16.786,947 176.567,948 76.727,949 146.174,952 176.567,953 23.841,954 122.334,955 34.796,956 41.93,957 176.567,958 76.727,959 146.174,961 0.574,962 0.336,963 0.178,964 0.093,965 19,966 7,967 0.089,968 4,969 1,970 1.095,971 3.889,972 204.275,973 0.095,974 21,975 112.096,981 15.462,982 6.817,983 3.407,984 1.914,985 59.941,986 25.238,987 4.412,988 3.085,991 3.685,993 34.796,994 399.468,995 40,1000 12.441,1004 -0.082,1007 41.818,1008 46.611,1009 0.265,1010 0.581,1011 0.77,1012 0.921,1013 0.956,1014 0.956,1015 4.909,1016 1.257,1017 5.687,1018 3.442,1019 4.344,1020 5.021,1021 1.331,1022 6.45,1023 4.315,1024 6.112,1025 1.098,1026 7.212,1027 3.003,1028 3.761,1029 4.677,1031 7.235,1032 3.746,1033 7.405,1034 1,1035 8.836,1036 2.511,1037 5.889,1038 7.248,1039 1.343,1040 10.316,1041 5.838,1042 8.738,1043 1,1044 10.522,1045 2.323,1046 6.176,1047 7.793,1049 11.945,1050 6.134,1051 10.102,1052 0.429,1053 12.246,1054 2.136,1055 7.71,1056 9.761,1057 1.438,1058 14.494,1059 7.64,1060 11.491,1061 0.406,1062 13.996,1063 1.013,1064 8.401,1065 10.74,1067 16.46,1068 8.333,1069 12.897,1070 -0.501,1071 15.764,1072 0.956,1073 9.679,1074 12.437,1075 1.555,1076 18.817,1077 9.59,1078 3.028,1079 -0.592,1080 17.545,1081 -1.271,1082 10.567,1083 13.645,1085 20.93,1086 10.473,1087 2.831,1088 9.665,1089 19.334,1090 -1.351,1091 11.73,1092 15.213,1093 1.679,1094 23.213,1095 11.619,1096 2.57,1097 8.907,1098 21.131,1099 4.391,1100 12.714,1101 16.542,1103 25.393,1104 12.596,1105 2.459,1106 8.11,1107 22.932,1108 3.872,1109 13.828,1110 18.051,1111 1.807,1112 27.65,1113 13.695,1114 1.743,1115 6.952,1116 24.737,1117 3.449,1118 14.861,1119 19.445,1121 29.862,1122 14.719,1123 1.534,1124 4.614,1125 26.545,1126 3.283,1127 15.956,1128 20.928,1129 1.939,1130 32.111,1131 15.8,1132 1.501,1133 4.173,1134 28.356,1135 2.477,1136 17.014,1137 22.357,1139 34.341,1140 16.848,1141 7524,1142 11985,1143 19.474,1144 29.801,1145 42.061,1146 42.758,1147 41.938,1148 41.661,1149 41.711,1150 58.801,1151 3.107,1152 115.608,1153 41.082,1154 5.337,1155 5.564,1156 6.118,1157 5.062,1158 5.028,1159 7.391,1160 2.162,1161 16.18,1162 4.995,1163 6.069,1164 1.502,1165 1.527,1166 1.498,1167 1.488,1168 1.49,1169 2.1,1170 0.111,1171 4.129,1172 1.467,1173 4.118,1174 4.156,1175 4.08,1176 4.025,1177 7.429,1178 4.033,1179 3.934,1180 3.968,1181 3.873,1182 3.856,1183 5.072,1184 3.853,1185 3.869,1186 3.897,1187 3.805,1188 3.803,1189 4.759,1190 3.802,1191 3.457,1192 3.508,1193 3.389,1194 3.285,1195 4.689,1196 3.301,1197 3.306,1198 3.369,1199 3.203,1200 3.142,1201 4.307,1202 3.15,1203 3.019,1204 3.058,1205 2.903,1206 2.88,1207 4.045,1208 2.88,1209 2.865,1210 2.942,1211 2.769,1212 2.735,1213 3.889,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.669,1219 3.674,1220 2.682,1221 0.16,1222 0.127,1223 0.226,1224 0.143,1225 0.108,1226 4.469,1227 0.157,1228 3.564,1229 0.039,1230 6.316,1231 0.345,1232 4.015,1233 0.107,1234 3.028,1235 4.391,1236 1.081,1237 9.665,1238 2.995,1239 1.989,1240 1.968,1241 2.07,1242 2.072,1243 1.192,1244 2.072,1245 1.908,1246 1.878,1247 2.034,1248 1.999,1249 1.146,1250 2.012,1251 1.765,1252 1.738,1253 1.854,1254 1.885,1255 0.952,1256 1.876,1257 1.464,1258 1.396,1259 1.639,1260 1.692,1261 0.683,1262 1.686,1263 1.341,1264 1.285,1265 1.558,1266 1.588,1267 0.61,1268 1.581,1269 1.065,1270 1.027,1271 1.22,1272 1.208,1273 0.348,1274 1.214,1275 0.98,1276 0.937,1277 1.195,1278 1.155,1279 0.245,1280 1.171,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.043,1289 5.342,1290 2.398,1291 6.838,1292 4.595,1293 8.418,1294 6.581,1295 10.041,1303 0.515,1305 2.96,1314 28.467,1315 59.997,1316 131.563,1317 174.424,1318 208.477,1319 216.477,1320 216.477,1321 32.198,1322 7.358,1323 57.78,1324 57.78,1325 23,1326 12.318,1327 4.585,1328 3.7,1329 36.062,1330 97,1331 95,1332 0.179,1333 174.814,1334 291.57,1335 418.306,1336 16578,1338 17.062,1339 0.682,1340 0.543,1341 17.062,1342 13.568,1343 12.293,1344 0.439,1345 0.291,1346 8.084,1347 12.026,1348 7.91,1349 6.581,1350 12.293,1351 8.152,1352 10.77,1353 0.283,1354 0.155,1355 10.77,1356 5.889,1357 9.312,1358 0.186,1359 0.083,1360 9.312,1361 4.154,1362 7.589,1363 0.12,1364 0.045,1365 7.589,1366 2.818,1367 6.041,1368 0.078,1369 0.024,1370 6.041,1371 1.833,1372 0.284,1373 75.697,1374 0.227,1375 24.601,1376 0.481,1377 132,1378 346.046,1379 139.432,1380 346.996,1381 482.9,1382 326,1383 154,1384 359.763,1385 161.655,1386 370.816,1387 538.37,1388 350,1389 5.1}
{0 CHEMBL1972152,1 1.855,2 6.944,3 2.413,4 5.821,5 67.481,6 9.604,7 0.714,8 3.498,9 3.575,10 3.343,11 3.109,12 4.685,13 3.099,14 3.995,15 4.096,16 3.72,17 3.514,18 5.162,19 3.486,20 4.081,21 4.231,22 3.642,23 3.401,24 5.309,25 3.396,26 4.047,27 4.204,28 3.638,29 3.325,30 5.304,31 3.322,32 3.902,33 4.086,34 3.266,35 3.186,36 4.995,37 3.112,38 3.668,39 3.871,40 2.969,41 2.917,42 4.785,43 2.836,44 3.344,45 3.484,46 2.784,47 2.708,48 4.508,49 2.662,50 3.303,51 3.458,52 2.558,53 2.576,54 4.273,55 2.433,56 0.11,57 0.433,58 3.501,59 2.414,60 7.485,61 2.193,62 0.217,63 0.733,64 11.242,65 4.797,66 8.984,67 4.277,68 0.34,69 0.772,70 8.8,71 3.929,72 23.95,73 3.804,74 0.371,75 0.719,76 10.892,77 4.176,78 27.547,79 3.8,80 0.304,81 0.632,82 10.209,83 3.826,84 23.748,85 3.655,86 0.259,87 0.462,88 9.178,89 3.455,90 18.47,91 3.805,92 0.142,93 0.308,94 4.644,95 2.333,96 12.111,97 2.237,98 0.203,99 0.283,100 6.05,101 2.628,102 15.29,103 2.219,104 2,105 31,106 0.355,107 0.748,108 0.819,109 0.881,110 0.881,111 0.881,112 2.963,113 0.958,114 -3.22,115 -3.21,116 -3.08,119 44.4,125 2,142 3,143 1,146 2,151 1,152 1,153 1,161 1,166 1,172 1,174 1,175 7,178 1,180 1,183 1,187 2,188 4,191 1,196 1,199 1,200 3,203 1,205 2,208 2,212 1,213 3,221 1,225 2,228 1,230 1,233 1,243 1,246 1,250 1,258 1,272 1,276 276,277 12.516,278 12.516,279 12.516,280 12.516,281 12.516,282 10.775,283 6.168,284 7.239,285 12.885,286 10.388,287 10.388,288 10.388,289 10.388,290 10.388,291 7.689,292 5.66,293 3.448,294 11.001,295 2.9,296 0.843,297 0.472,298 0.148,299 0.148,300 0.148,301 3.66,305 1,306 1,307 286,308 1.871,311 95.841,312 31.506,315 100.72,318 69.214,319 1.179,320 17.713,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 39.5,332 125,333 4.683,334 4.342,335 6.8,336 4.204,337 3.258,338 4.634,339 3.52,340 11.178,341 3.082,342 4.198,343 3.258,344 6.226,345 3.826,346 2.848,347 3.786,348 0.57,349 9.321,350 2.783,351 3.83,352 2.827,353 5.87,354 3.396,355 2.438,356 3.348,358 8.002,359 2.331,360 3.443,361 2.643,362 5.273,363 2.981,364 2.054,365 2.807,367 6.31,368 1.895,369 3.103,370 2.351,371 4.413,372 2.62,373 1.654,374 2.364,376 4.297,377 1.595,378 2.366,379 2.035,380 4.071,381 1.964,382 1.144,383 1.325,385 2.975,386 0.955,387 2.308,388 1.632,389 3.593,390 1.945,391 1,392 1.252,394 2.576,395 0.903,396 2.191,397 0.928,398 3.31,399 1.744,400 0.788,401 1.113,403 1.927,404 0.744,405 2.118,406 0.788,407 3.231,408 1.618,409 0.618,410 0.927,412 1.372,413 0.618,414 1.626,415 0.618,416 3,417 1.346,418 0.443,419 0.511,421 1.141,422 0.393,423 1.09,424 0.576,425 2.78,426 0.635,427 -0.268,428 -0.349,430 -0.746,431 -0.238,432 0.393,433 -0.272,434 2.301,435 -0.084,436 -1,437 -1.264,439 -2.667,440 -0.852,441 0.278,442 -0.821,443 2.253,444 -0.118,445 -1.049,446 -1.339,448 -2.822,449 -0.995,450 -0.037,451 -1.045,452 1.601,453 -0.402,454 -1.304,455 -1.561,457 -3.493,458 -1.181,459 -0.118,460 -1.247,461 1.506,462 -0.604,463 -1.58,464 -1.971,466 -4.372,467 -1.537,468 8.7,469 0.483,470 0.432,471 0.024,472 25,473 1.389,474 12.5,475 0.694,476 12.5,477 0.694,478 12.152,479 0.675,480 18.3,481 0.678,482 14.099,483 0.783,484 4.452,485 0.247,486 4.375,487 0.243,488 0.038,490 0.391,496 0.89,497 1.028,498 0.649,499 0.796,500 0.9,501 0.735,502 0.827,503 1.277,504 1.216,505 1.256,506 0.635,507 0.951,508 1.043,509 1.117,510 0.76,511 0.861,512 0.964,513 0.96,514 1.222,515 1.047,516 0.788,517 0.874,518 1.489,519 0.849,520 1.14,521 0.969,522 1.12,523 0.954,524 1.298,525 1.082,526 0.762,527 0.821,528 0.917,529 0.904,530 0.616,531 0.976,532 1.383,533 0.759,534 0.849,535 0.866,536 1.43,537 1.01,538 1.68,539 0.822,540 1.305,541 1.123,542 1.528,543 1.368,544 3,546 2.222,547 1.16,548 1.216,549 0.351,550 0.254,551 0.107,552 0.029,553 0.007,554 2930,555 8890,556 2.253,557 33.3,559 7,560 1,562 1,567 1.588,568 2.16,569 2.831,570 -0.171,574 1,577 50.078,578 1.855,579 3.912,580 4.282,581 4.607,582 4.607,583 4.607,584 2.308,585 3.461,586 4.143,587 2.921,588 446.927,589 7.038,590 4011.65,592 1,594 1,595 128.382,596 1.233,597 4.124,598 0.143,600 0.072,601 0.043,602 0.049,603 0.021,604 0.02,605 0.01,606 0.005,607 0.003,608 0.364,609 0.67,610 1,611 0.463,612 74.344,613 -0.077,614 -0.01,615 0.042,616 0.052,617 -0.117,618 0.038,619 -0.006,620 -0.222,621 -0.207,622 -0.22,623 0.01,624 -0.093,625 -0.024,626 -0.089,627 -0.039,628 -0.088,629 0.03,630 -0.136,631 -0.046,632 -0.045,633 0.094,634 0.003,635 -0.077,636 0.034,637 -0.184,638 0.037,639 -0.182,640 -0.036,641 -0.247,642 -0.137,643 0.178,644 0.085,645 0.055,646 0.044,647 0.251,648 0.082,649 -0.228,650 0.078,651 -0.055,652 0.017,653 -0.153,654 -0.057,655 -0.356,656 -0.028,657 -0.222,658 -0.049,659 -0.428,660 -0.314,661 1.474,662 4.198,663 0.944,664 11.037,665 1.025,666 1.114,667 1.989,668 3.956,669 0.735,670 3.091,671 3.466,672 3.829,673 4.159,674 4.304,675 4.522,676 4.673,677 4.836,678 4.804,679 4.745,680 4.252,681 0.713,682 259.31,683 3.091,684 4.654,685 5.549,686 6.46,687 7.37,688 8.286,689 9.201,690 10.121,691 11.039,692 11.96,693 11.1,701 1,703 2,708 1,709 4,710 2,712 1,714 5,716 15,732 1,735 27,737 15,739 21,741 30,742 12,743 10,748 4,749 7,762 10,763 2,780 1,782 1,783 9,784 4,785 1,786 6,787 1,792 3,797 0.5,798 2,807 1,810 1,815 3,816 1,819 2,822 1,843 2,844 1,845 1,851 18,857 1,858 2,862 1,874 7.4,876 1,879 1,881 8.333,882 4.967,883 3.806,884 1.514,886 2.869,887 1.41,888 1.034,889 2.191,890 9.864,891 3.384,892 4.086,893 4.787,894 5.465,895 5.952,896 6.486,897 6.951,898 7.425,899 7.644,900 7.843,901 0.8,902 27,903 6.637,905 2.969,906 7.741,907 12.652,909 10.868,911 2.241,912 40.333,913 0.001,916 94.169,917 90.05,918 34.612,920 52.191,922 32.22,923 57.831,924 146.36,925 34.612,927 1.799,928 40.168,929 77.847,930 19.37,931 17.22,932 114.617,934 94.169,935 92.443,936 52.191,937 32.22,939 94.169,940 52.191,943 10.192,944 48.803,945 33.449,946 32.22,947 94.169,948 86.803,949 90.05,952 94.169,953 49.882,954 41.332,956 85.639,957 94.169,958 86.803,959 90.05,961 0.593,962 0.365,963 0.207,964 0.095,965 19,966 7,967 0.033,968 1,969 2,970 1.235,971 3.12,972 143.204,973 0.235,974 17,975 75.059,977 1,981 10.466,982 3.768,983 1.511,984 0.653,985 85.639,986 7.066,987 8.858,989 5.3,991 3.392,993 42.683,994 271.022,995 28.5,1007 27.687,1008 30.079,1009 0.39,1010 0.823,1011 0.901,1012 0.969,1013 0.969,1014 0.969,1015 4.632,1016 0.788,1017 5.549,1018 2.576,1019 4.143,1020 4.771,1021 3.274,1022 6.422,1023 4.037,1024 5.871,1025 0.618,1026 7.141,1027 1.927,1028 3.761,1029 4.691,1031 7.398,1032 3.633,1033 7.21,1034 0.443,1035 8.835,1036 1.372,1037 5.79,1038 7.103,1039 5.731,1040 10.552,1041 5.599,1042 8.594,1043 -0.268,1044 10.588,1045 1.141,1046 6.293,1047 7.917,1049 12.358,1050 6.069,1051 10.011,1052 -1,1053 12.379,1054 -0.746,1055 7.751,1056 9.754,1057 8.244,1058 15.013,1059 7.473,1060 11.453,1061 -1.049,1062 14.194,1063 -2.667,1064 8.628,1065 10.955,1067 17.146,1068 8.305,1069 12.912,1070 -1.304,1071 16.027,1072 -2.822,1073 9.887,1074 12.587,1075 10.761,1076 19.637,1077 9.512,1078 3.258,1079 -1.58,1080 17.872,1081 -3.493,1082 10.925,1083 13.966,1085 21.913,1086 10.498,1087 2.848,1088 11.178,1089 19.726,1090 -4.372,1091 12.116,1092 15.524,1093 13.277,1094 24.346,1095 11.636,1096 2.438,1097 9.321,1098 21.589,1099 4.634,1100 13.224,1101 16.983,1103 26.689,1104 12.689,1105 2.054,1106 8.002,1107 23.457,1108 3.786,1109 14.393,1110 18.517,1111 15.794,1112 29.102,1113 13.803,1114 1.654,1115 6.31,1116 25.331,1117 3.348,1118 15.533,1119 20.012,1121 31.477,1122 14.886,1123 1.144,1124 4.297,1125 27.209,1126 2.807,1127 16.698,1128 21.54,1129 18.311,1130 33.885,1131 15.994,1132 1,1133 2.975,1134 29.092,1135 2.364,1136 17.853,1137 23.053,1139 36.277,1140 17.091,1141 2716,1142 4837,1143 14.622,1144 19.858,1145 32.588,1146 35.489,1147 32.531,1148 32.523,1149 32.49,1150 44.131,1151 8.18,1152 98.199,1153 30.598,1154 5.504,1155 6.342,1156 6.396,1157 5.311,1158 5.258,1159 7.634,1160 7.04,1161 18.733,1162 5.061,1163 4.669,1164 1.552,1165 1.69,1166 1.549,1167 1.549,1168 1.547,1169 2.101,1170 0.39,1171 4.676,1172 1.457,1173 4.139,1174 4.182,1175 4.173,1176 3.983,1177 6.471,1178 4.002,1179 3.847,1180 3.856,1181 3.893,1182 3.728,1183 5.154,1184 3.728,1185 3.545,1186 3.581,1187 3.686,1188 3.458,1189 4.934,1190 3.432,1191 3.038,1192 3.075,1193 3.058,1194 2.859,1195 4.365,1196 2.846,1197 2.806,1198 2.876,1199 2.85,1200 2.656,1201 3.829,1202 2.637,1203 2.571,1204 2.66,1205 2.358,1206 2.336,1207 3.621,1208 2.324,1209 2.424,1210 2.499,1211 2.337,1212 2.199,1213 3.436,1214 2.188,1215 2.302,1216 2.36,1217 2.235,1218 2.043,1219 3.138,1220 2.057,1221 0.223,1222 0.207,1223 0.324,1224 0.2,1225 0.155,1226 4.683,1227 0.221,1228 4.342,1229 0.168,1230 6.8,1231 0.532,1232 4.204,1233 0.147,1234 3.258,1235 4.634,1236 3.52,1237 11.178,1238 3.082,1239 1.835,1240 1.798,1241 1.88,1242 2.034,1243 1.075,1244 1.986,1245 1.591,1246 1.567,1247 1.697,1248 1.73,1249 0.86,1250 1.707,1251 1.392,1252 1.363,1253 1.544,1254 1.586,1255 0.793,1256 1.581,1257 1.293,1258 1.265,1259 1.428,1260 1.409,1261 0.589,1262 1.484,1263 1.115,1264 1.067,1265 1.299,1266 1.313,1267 0.396,1268 1.321,1269 0.898,1270 0.853,1271 1.081,1272 1.196,1273 0.063,1274 1.169,1275 0.418,1276 0.38,1277 0.697,1278 0.908,1280 0.84,1281 0.114,1283 0.447,1284 0.462,1286 0.472,1287 3.761,1289 5.118,1290 3.434,1291 6.661,1292 5.687,1293 8.298,1294 7.711,1295 9.99,1302 10.198,1303 1.64,1307 1.751,1314 19.261,1315 50.078,1316 105.627,1317 115.627,1318 124.382,1319 124.382,1320 124.382,1321 20.516,1322 6.995,1323 63.56,1324 88.86,1325 21,1326 12.468,1327 4,1328 3.087,1329 22.647,1330 48,1331 37,1332 0.255,1333 118.247,1334 187.27,1335 280.282,1336 8809,1338 12.113,1339 0.673,1340 0.564,1341 12.466,1342 10.145,1343 8.826,1344 0.42,1345 0.319,1346 5.554,1347 7.95,1348 5.356,1349 4.368,1350 9.326,1351 6.703,1352 8.15,1353 0.263,1354 0.165,1355 8.615,1356 5.116,1357 7.526,1358 0.167,1359 0.089,1360 8.083,1361 3.988,1362 6.687,1363 0.106,1364 0.05,1365 7.41,1366 3.165,1367 4.671,1368 0.064,1369 0.024,1370 5.205,1371 1.746,1372 0.379,1373 60.799,1374 0.262,1375 17.641,1376 0.761,1377 104,1378 325.681,1379 135.61,1380 331.043,1381 460.84,1382 312,1383 128,1384 342.453,1385 159.37,1386 349.824,1387 522.01,1388 329,1389 5.1}
{0 CHEMBL1972158,1 1.422,2 9.286,3 4.512,4 20.354,5 112.615,6 7.967,7 0.844,8 3.959,9 4.087,10 3.601,11 3.565,12 5.131,13 3.55,14 4.421,15 4.569,16 3.951,17 3.958,18 5.514,19 3.925,20 4.637,21 4.831,22 3.963,23 4.039,24 5.679,25 3.977,26 4.71,27 4.937,28 3.939,29 4,30 5.714,31 3.941,32 4.651,33 4.868,34 3.96,35 3.991,36 5.69,37 3.948,38 4.654,39 4.856,40 3.961,41 4.046,42 5.723,43 3.985,44 4.684,45 4.901,46 3.902,47 4.059,48 5.713,49 3.968,50 4.65,51 4.872,52 3.727,53 4.003,54 5.61,55 3.884,56 0.11,57 0.741,58 8.183,59 3.634,60 11.316,61 4.616,62 0.094,63 1.145,64 13.756,65 6.075,66 10.683,67 7.903,68 0.12,69 1.367,70 19.29,71 7.809,72 22.248,73 10.5,74 0.195,75 1.469,76 22.614,77 7.795,78 27.612,79 10.617,80 0.205,81 1.404,82 20.885,83 7.065,84 25.498,85 9.494,86 0.233,87 1.403,88 20.103,89 7.635,90 28.328,91 10.199,92 0.281,93 1.404,94 21.515,95 8.795,96 28.83,97 11.996,98 0.117,99 1.292,100 21.041,101 8.912,102 23.136,103 12.238,104 2,105 45,106 0.237,107 0.541,108 0.652,109 0.791,110 0.842,111 0.85,112 3.376,113 0.85,114 -5.23,115 -5.12,116 -4.79,119 47.8,125 1,142 13,143 4,146 2,152 1,153 1,163 1,164 1,165 1,166 2,168 1,172 16,174 1,175 5,179 1,180 2,182 1,183 16,185 1,188 13,190 1,191 1,193 3,196 9,198 1,200 18,205 4,208 5,210 2,213 14,218 1,221 13,223 1,224 1,225 5,227 1,228 2,233 21,237 2,238 2,240 2,241 4,243 2,246 24,248 1,250 2,255 4,258 19,260 2,264 3,269 6,272 10,274 3,276 1316,277 19.568,278 19.568,279 19.568,280 19.568,281 19.568,282 16.388,283 11.544,284 11.672,285 19.754,286 15.847,287 15.847,288 15.847,289 15.847,290 15.847,291 11.201,292 16.058,293 5.584,294 16.154,295 4.102,296 2.282,297 1.617,298 0.788,299 0.478,300 0.435,301 4.09,305 1,306 1,307 584,308 2.345,311 135.793,312 236.041,315 109.427,319 1.52,320 14.053,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 59,332 260,333 4.632,334 3.293,335 6.914,336 4.229,337 3.256,338 4.529,339 0.522,340 11.647,341 3.17,342 4.481,343 3.074,344 6.495,345 4.01,346 3.036,347 4.259,349 10.117,350 2.955,351 3.915,352 2.745,353 5.846,354 3.542,355 2.553,356 3.456,358 8.03,359 2.526,360 3.826,361 2.446,362 5.467,363 3.424,364 2.433,365 3.351,367 7.232,368 2.409,369 3.559,370 2.162,371 5.076,372 3.098,373 2.117,374 3.007,376 5.963,377 2.071,378 3.297,379 1.939,380 4.951,381 2.825,382 1.869,383 2.635,385 5.411,386 1.783,387 2.977,388 1.611,389 4.463,390 2.543,391 1.552,392 2.167,394 4.114,395 1.538,396 2.882,397 1.442,398 4.043,399 2.415,400 1.422,401 2.051,403 3.301,404 1.412,405 2.78,406 1.346,407 3.871,408 2.291,409 1.316,410 1.906,412 3.093,413 1.279,414 2.604,415 1.169,416 3.585,417 2.109,418 1.138,419 1.651,421 2.952,422 1.102,423 2.5,424 1,425 3.437,426 2,427 1,428 1.5,430 2.136,431 1,432 2.5,433 1,434 3.247,435 2,436 1,437 1.5,439 2.136,440 1,441 2.296,442 0.812,443 3.247,444 1.792,445 0.807,446 1.197,448 2.046,449 0.793,450 2.108,451 0.691,452 3.227,453 1.634,454 0.654,455 0.936,457 1.563,458 0.64,459 1.279,460 0.186,461 2.902,462 0.982,463 0.008,464 0.009,466 0.02,467 0.007,468 13.4,469 0.479,470 0.551,471 0.02,472 42,473 1.5,474 24.5,475 0.875,476 17.5,477 0.625,478 18.644,479 0.666,480 27.4,481 0.596,482 30.743,483 1.098,484 8.551,485 0.305,486 5.241,487 0.187,488 0.03,490 0.328,496 0.729,497 0.839,498 0.728,499 0.793,500 0.983,501 0.767,502 0.785,503 1.12,504 0.826,505 1.014,506 0.74,507 0.943,508 0.918,509 1.197,510 0.957,511 1.112,512 0.866,513 1.053,514 1.35,515 1.166,516 1.011,517 0.976,518 1.003,519 0.955,520 1.457,521 1.056,522 0.965,523 0.836,524 1.035,525 0.836,526 1.071,527 0.936,528 1.013,529 0.946,530 0.972,531 0.967,532 0.618,533 0.772,534 0.979,535 0.991,536 0.809,537 1.024,538 0.729,539 1.014,540 1.082,541 1.173,542 0.81,543 1.173,544 4,545 0.09,546 2.889,547 1.854,548 1.331,549 0.778,550 0.547,551 0.396,552 0.204,553 0.184,554 9784,555 24356,556 2.223,557 39.1,559 15,562 3,567 1.718,568 2.154,569 3.214,570 0.882,577 65.408,578 1.422,579 3.242,580 3.907,581 4.735,582 5.045,583 5.089,584 2.706,585 4.352,586 4.778,587 3.388,588 1280.79,589 8.349,590 16480.8,592 1,595 254.084,596 1.108,597 4.769,598 0.125,599 0.006,600 0.064,601 0.042,602 0.032,603 0.018,604 0.012,605 0.01,606 0.006,607 0.007,608 0.322,609 0.17,610 0.88,611 0.343,612 137.978,613 0.222,614 0.262,615 0.053,616 0.114,617 -0.084,618 0.072,619 0.086,620 -0.073,621 -0.005,622 -0.079,623 -0.023,624 -0.058,625 0.002,626 -0.197,627 -0.044,628 -0.151,629 0.02,630 -0.113,631 -0.17,632 -0.141,633 -0.024,634 -0.038,635 -0.044,636 -0.017,637 -0.232,638 -0.003,639 0.002,640 0.087,641 -0.041,642 0.077,643 -0.024,644 0.094,645 -0.085,646 -0.002,647 -0.01,648 -0.042,649 0.249,650 0.197,651 -0.03,653 0.075,654 -0.041,655 -0.045,656 -0.104,657 -0.127,658 -0.144,659 -0.026,660 -0.145,661 1.116,662 2.02,663 0.929,664 24.929,665 0.998,666 1.119,667 4.002,668 16.014,669 0.709,670 3.497,671 3.829,672 4.159,673 4.477,674 4.7,675 4.804,676 5.017,677 5.215,678 5.313,679 5.398,680 5.904,681 0.68,682 366.46,683 3.497,684 5.043,685 5.916,686 6.808,687 7.699,688 8.601,689 9.501,690 10.407,691 11.312,692 12.222,693 13,697 1,701 2,703 3,708 2,709 13,710 3,711 1,714 6,715 1,716 27,727 1,735 46,737 27,738 3,739 32,741 50,742 22,743 21,744 5,745 13,748 5,749 6,762 21,763 1,780 1,783 18,784 4,785 3,786 6,792 6,797 0.8,807 1,815 2,816 3,819 1,843 4,851 28,852 1,858 1,871 1,881 13,882 8.217,883 6.083,884 2.63,886 4.142,887 1.529,888 1.074,889 4.15,890 11.966,891 3.839,892 4.505,893 5.173,894 5.829,895 6.356,896 6.713,897 7.252,898 7.776,899 8.156,900 8.564,901 1,902 44,903 10.262,905 4.41,906 7.583,907 19.777,909 16.518,911 2.083,912 58.333,915 1,916 176.567,917 147.412,918 101.203,923 147.412,924 176.567,925 101.203,927 2.106,928 156.088,929 49.867,930 37.798,931 2.757,932 176.567,934 176.567,935 248.615,939 176.567,943 27.774,944 170.975,945 49.867,947 176.567,948 101.203,949 147.412,952 176.567,953 24.221,954 124.968,955 16.663,956 82.764,957 176.567,958 101.203,959 147.412,961 0.579,962 0.346,963 0.198,964 0.108,965 24,966 9,967 0.08,968 4,969 1,970 1.077,971 4.004,972 260.569,973 0.077,974 26,975 124.606,981 16.724,982 6.949,983 3.097,984 1.716,985 82.764,986 26.436,987 13.191,988 2.826,991 5.549,992 1.947,993 49.56,994 425.182,995 45.5,1007 45.912,1008 51.481,1009 0.257,1010 0.587,1011 0.707,1012 0.857,1013 0.913,1014 0.921,1015 5.055,1016 1.422,1017 5.889,1018 4.114,1019 4.511,1020 5.193,1021 0.434,1022 6.723,1023 4.471,1024 6.277,1025 1.316,1026 7.452,1027 3.301,1028 4.007,1029 4.913,1031 7.664,1032 3.93,1033 7.589,1034 1.138,1035 9.121,1036 3.093,1037 6.111,1038 7.466,1039 0.138,1040 10.822,1041 6.027,1042 8.944,1043 1,1044 10.855,1045 2.952,1046 6.509,1047 8.103,1049 12.664,1050 6.382,1051 10.335,1052 1,1053 12.634,1054 2.136,1055 8.03,1056 10.045,1057 0.039,1058 15.323,1059 7.896,1060 11.753,1061 0.807,1062 14.444,1063 2.136,1064 8.842,1065 11.12,1067 17.519,1068 8.665,1069 13.192,1070 0.654,1071 16.277,1072 2.046,1073 10.133,1074 12.803,1075 0.011,1076 20.02,1077 9.943,1078 3.256,1079 0.008,1080 18.127,1081 1.563,1082 11.136,1083 14.095,1085 22.358,1086 10.907,1087 3.036,1088 11.647,1089 19.989,1090 0.02,1091 12.338,1092 15.665,1093 0.003,1094 24.812,1095 12.089,1096 2.553,1097 10.117,1098 21.862,1099 4.529,1100 13.427,1101 17.062,1103 27.208,1104 13.144,1105 2.433,1106 8.03,1107 23.743,1108 4.259,1109 14.597,1110 18.585,1111 0.001,1112 29.648,1113 14.291,1114 2.117,1115 7.232,1116 25.631,1117 3.456,1118 15.725,1119 20.032,1121 32.07,1122 15.387,1123 1.869,1124 5.963,1125 27.524,1126 3.351,1127 16.887,1128 21.536,1130 34.509,1131 16.523,1132 1.552,1133 5.411,1134 29.422,1135 3.007,1136 18.033,1137 23.007,1139 36.943,1140 17.64,1141 8982,1142 14325,1143 22.364,1144 32.603,1145 48.902,1146 48.444,1147 49.168,1148 48.348,1149 48.322,1150 68.306,1151 1.043,1152 139.521,1153 47.373,1154 5.408,1155 5.293,1156 6.716,1157 5.255,1158 5.256,1159 7.529,1160 1.043,1161 18.911,1162 5.17,1163 6.864,1164 1.528,1165 1.514,1166 1.536,1167 1.511,1168 1.51,1169 2.135,1170 0.033,1171 4.36,1172 1.48,1173 4.138,1174 4.18,1175 4.109,1176 4.034,1177 5.25,1178 4.046,1179 3.989,1180 4.036,1181 3.949,1182 3.885,1183 5.082,1184 3.89,1185 3.872,1186 3.903,1187 3.8,1188 3.819,1189 4.746,1190 3.811,1191 3.691,1192 3.75,1193 3.637,1194 3.506,1195 4.731,1196 3.536,1197 3.372,1198 3.447,1199 3.289,1200 3.168,1201 4.703,1202 3.189,1203 3.067,1204 3.137,1205 2.94,1206 2.94,1207 4.283,1208 2.931,1209 2.905,1210 2.995,1211 2.795,1212 2.761,1213 3.804,1214 2.759,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.677,1220 2.715,1221 0.145,1222 0.103,1223 0.216,1224 0.132,1225 0.102,1226 4.632,1227 0.142,1228 3.293,1229 0.016,1230 6.914,1231 0.364,1232 4.229,1233 0.099,1234 3.256,1235 4.529,1236 0.522,1237 11.647,1238 3.17,1239 1.974,1240 1.952,1241 2.064,1242 2.052,1243 1.214,1244 2.057,1245 1.912,1246 1.884,1247 2.024,1248 1.996,1249 1.147,1250 2.005,1251 1.872,1252 1.846,1253 1.981,1254 1.946,1255 1.071,1256 1.962,1257 1.42,1258 1.365,1259 1.574,1260 1.747,1261 0.74,1262 1.695,1263 1.391,1264 1.307,1265 1.545,1266 1.648,1267 0.494,1268 1.623,1269 1.21,1270 1.153,1271 1.311,1272 1.417,1273 0.422,1274 1.379,1275 0.896,1276 0.843,1277 1.181,1278 1.116,1279 0.218,1280 1.115,1281 0.886,1282 0.821,1283 1.181,1284 1.084,1285 0.218,1286 1.107,1287 4.174,1289 5.501,1290 3.045,1291 7.027,1292 5.416,1293 8.641,1294 7.516,1295 10.303,1301 6.02,1303 0.647,1314 31.289,1315 65.408,1316 149.118,1317 179.713,1318 217.819,1319 232.084,1320 234.084,1321 32.59,1322 7.824,1323 85.41,1324 85.41,1325 28,1326 12.739,1327 4.807,1328 3.858,1329 37.338,1330 94,1331 105,1332 0.186,1333 190.472,1334 307.18,1335 456.512,1336 25431,1338 18.924,1339 0.676,1340 0.539,1341 18.924,1342 15.079,1343 13.793,1344 0.431,1345 0.283,1346 8.97,1347 13.408,1348 8.791,1349 7.305,1350 13.793,1351 9.062,1352 12.268,1353 0.273,1354 0.148,1355 12.268,1356 6.665,1357 10.882,1358 0.173,1359 0.076,1360 10.882,1361 4.814,1362 9.508,1363 0.109,1364 0.039,1365 9.508,1366 3.434,1367 7.749,1368 0.071,1369 0.021,1370 7.749,1371 2.325,1372 0.283,1373 85.437,1374 0.211,1375 26.273,1376 0.538,1377 154,1378 392.226,1379 164.435,1380 397.622,1381 568.26,1382 374,1383 185,1384 450.108,1385 197.656,1386 458.806,1387 669.19,1388 433,1389 5.1}
{0 CHEMBL1972183,1 1.333,2 10.273,3 3.722,4 13.855,5 89.932,6 6.445,7 0.5,8 3.893,9 4.023,10 3.35,11 3.439,12 4.843,13 3.386,14 4.465,15 4.664,16 3.636,17 3.823,18 5.312,19 3.738,20 4.717,21 4.955,22 3.583,23 3.937,24 5.496,25 3.789,26 4.749,27 5.029,28 3.392,29 3.831,30 5.45,31 3.646,32 4.648,33 4.947,34 3.333,35 3.687,36 5.361,37 3.536,38 4.328,39 4.542,40 3.403,41 3.662,42 5.202,43 3.548,44 4.45,45 4.699,46 3.366,47 3.669,48 5.284,49 3.53,50 4.432,51 4.719,52 3.136,53 3.527,54 5.184,55 3.37,56 0.046,57 0.64,58 10.88,59 4.535,60 8.088,61 6.376,62 0.166,63 1.051,64 19.896,65 7.275,66 16.168,67 10.52,68 0.305,69 1.245,70 25.671,71 9.751,72 23.246,73 13.994,74 0.193,75 1.204,76 26.409,77 10.046,78 22.217,79 14.477,80 0.29,81 1.049,82 24.388,83 8.354,84 26.797,85 12.091,86 0.147,87 0.907,88 17.179,89 6.648,90 16.631,91 9.565,92 0.125,93 0.99,94 19.415,95 7.166,96 20.592,97 10.657,98 0.202,99 0.911,100 19.453,101 6.464,102 21.71,103 9.747,104 2,105 31,106 0.232,107 0.539,108 0.767,109 0.841,110 0.866,111 0.866,112 3.145,113 1.015,114 -4,115 -3.95,116 -3.75,119 41.3,121 4,124 1,125 2,127 1,142 6,143 2,144 1,145 2,172 11,175 4,183 11,187 2,188 4,196 9,200 3,208 6,213 3,221 6,224 1,225 5,233 5,238 6,246 3,250 4,258 2,264 2,272 2,276 652,277 15.206,278 15.206,279 15.206,280 15.206,281 15.206,282 13.732,283 17.429,284 9.341,285 15.494,286 11.877,287 11.877,288 11.877,289 11.877,290 11.877,291 9.735,292 19.551,293 4.48,294 12.334,295 4.19,296 2.424,297 1.109,298 0.685,299 0.538,300 0.538,301 3.832,304 1,305 1,306 1,307 487,308 2.55,311 65.446,312 152.855,319 1.818,320 10.064,321 1,322 1,323 1,324 1,325 1,326 1,327 0.5,328 1,329 1,330 0.93,331 46,332 226,333 4.082,334 3.119,335 6.037,336 3.773,337 2.832,338 3.675,339 0.86,340 8.603,341 2.67,342 3.89,343 2.935,344 5.604,345 3.667,346 2.693,347 3.44,348 0.8,349 7.75,350 2.623,351 3.81,352 2.728,353 5.337,354 3.488,355 2.498,356 2.825,358 6.96,359 2.468,360 3.362,361 2.425,362 4.965,363 3.023,364 2.073,365 2.603,367 5.894,368 1.959,369 2.917,370 1.701,371 4.129,372 2.496,373 1.507,374 2.086,376 3.666,377 1.492,378 2.694,379 1.568,380 3.642,381 2.361,382 1.414,383 1.777,385 3.149,386 1.332,387 2.5,388 1.296,389 3.504,390 2.135,391 1.208,392 1.5,394 2.67,395 1.117,396 2.425,397 1.195,398 3.423,399 2.094,400 1.119,401 1.422,403 2.417,404 1.088,405 2.125,406 1,407 3.247,408 2,409 1,410 1.124,412 2.136,413 1,414 1.823,415 0.866,416 3.128,417 1.601,418 0.608,419 0.716,421 1.428,422 0.603,423 1.596,424 0.651,425 3.03,426 1.393,427 0.492,428 0.531,430 1.169,431 0.439,432 0.929,433 -0.129,434 2.314,435 0.582,436 -0.387,437 -0.455,439 -0.919,440 -0.367,441 0.749,442 -0.193,443 2.286,444 0.493,445 -0.464,446 -0.534,448 -1.126,449 -0.448,450 0.559,451 -0.461,452 1.672,453 0.152,454 -0.783,455 -0.896,457 -1.726,458 -0.72,459 0.5,460 -0.823,461 1.579,462 0.101,463 -0.877,464 -1.167,466 -2.209,467 -0.861,468 10.633,469 0.483,470 0.362,471 0.016,472 26.25,473 1.193,474 12.5,475 0.568,476 13.75,477 0.625,478 17.547,479 0.798,480 24.167,481 0.525,482 15.841,483 0.72,484 5.033,485 0.229,486 5.777,487 0.263,488 0.047,490 0.226,496 0.873,497 1.385,498 0.922,499 1.199,500 0.799,501 1.085,502 1.437,503 1.082,504 1.084,505 1.012,506 1.044,507 1.008,508 1.091,509 1.055,510 1.144,511 1.123,512 1.015,513 1.138,514 1.036,515 1.067,516 0.999,517 1.103,518 1.071,519 1.06,520 1.843,521 0.621,522 0.862,523 0.575,524 1.514,525 0.636,526 1.009,527 1.131,528 1.076,529 1.099,530 1.089,531 1.095,532 0.83,533 1.267,534 1.022,535 1.153,536 1.045,537 1.105,538 1.434,539 0.805,540 1.061,541 0.82,542 1.362,543 0.88,544 3.5,545 0.067,546 1.778,547 0.757,548 0.658,549 0.358,550 0.195,551 0.22,552 0.09,553 0.05,554 5749,555 11219,556 2.125,557 52.2,558 4,559 14,561 2,564 4,567 1.639,568 2.063,569 3.346,570 -0.851,572 1,577 61.334,578 1.333,579 3.099,580 4.414,581 4.839,582 4.985,583 4.985,584 2.754,585 3.447,586 4.432,587 3.531,588 815.692,589 7.584,590 9480.2,592 1,594 1,595 254.084,596 1.023,597 4.423,598 0.146,599 0.007,600 0.057,601 0.028,602 0.031,603 0.016,604 0.008,605 0.01,606 0.005,607 0.005,608 0.313,609 0.83,610 1,611 0.405,612 103.709,613 0.058,614 -0.191,615 0.075,616 -0.079,617 0.12,618 -0.014,619 -0.14,620 0.04,621 -0.062,623 -0.014,624 -0.016,625 0.094,626 -0.042,627 -0.149,628 -0.128,630 -0.155,631 0.023,632 -0.148,633 -0.024,634 -0.134,635 -0.029,636 -0.089,637 -0.176,638 0.271,639 0.167,640 0.344,641 -0.118,642 0.29,643 -0.015,644 -0.049,645 -0.086,646 -0.077,647 -0.033,648 -0.09,649 0.017,650 -0.232,651 -0.046,652 -0.17,653 0.042,654 -0.122,655 -0.174,656 0.195,657 -0.051,658 0.092,659 -0.113,660 0.047,661 0.784,662 2.449,663 0.773,664 19.967,665 0.984,666 1.126,667 2.772,668 7.687,669 0.649,670 3.219,671 3.466,672 3.664,673 3.829,674 3.912,675 3.829,676 3.912,677 4.007,678 4.094,679 4.094,680 6.307,681 0.599,682 296.45,683 3.219,684 4.71,685 5.517,686 6.344,687 7.162,688 7.991,689 8.812,690 9.642,691 10.465,692 11.295,693 4.3,696 1,703 1,709 8,710 1,714 3,716 12,733 1,735 46,737 12,738 1,739 24,741 48,742 19,743 11,744 1,745 5,748 3,749 3,757 3,760 5,762 11,763 8,780 1,783 24,784 3,786 3,792 2,797 1,798 1,809 1,812 1,815 1,816 2,839 1,843 3,847 1,851 22,858 6,861 1,863 1,864 1,874 2.2,879 1,881 10.667,882 8.317,883 4.944,884 2.903,886 2.147,887 1.322,888 0.961,889 5.203,890 8.809,891 3.434,892 3.912,893 4.357,894 4.794,895 5.219,896 5.069,897 5.296,898 5.599,899 5.987,900 6.222,901 0.857,902 27,903 8.15,905 3.323,906 7.402,907 16.272,909 13.322,911 1.902,912 41.833,913 0.001,915 1,916 282.506,917 111.799,918 19.91,920 11,923 111.799,924 293.506,925 19.91,926 8.396,927 16.836,928 56.857,929 40.328,930 43.834,932 258.964,934 282.506,935 131.709,936 11,939 235.422,940 58.084,943 38.055,944 76.868,945 16.786,947 282.506,948 30.91,949 111.799,952 282.506,953 28.451,954 86.473,956 27.785,957 282.506,958 30.91,959 111.799,961 0.564,962 0.319,963 0.164,964 0.079,965 14,966 5,967 0.125,968 6,970 1,971 3.666,972 158.781,974 17,975 94.107,981 15.204,982 7.528,983 4.396,985 30.91,986 16.465,987 4.323,991 3.494,994 425.216,995 30,1007 45.251,1008 51.773,1009 0.241,1010 0.561,1011 0.799,1012 0.876,1013 0.903,1014 0.903,1015 4.625,1016 1.119,1017 5.442,1018 2.67,1019 4.143,1020 4.595,1021 1.235,1022 6.129,1023 4.07,1024 5.751,1025 1,1026 6.919,1027 2.417,1028 3.434,1029 3.98,1030 0.325,1031 6.742,1032 3.317,1033 6.99,1034 0.608,1035 8.49,1036 2.136,1037 5.617,1038 6.584,1039 0.938,1040 9.777,1041 5.472,1042 8.26,1043 0.492,1044 10.12,1045 1.428,1046 5.771,1047 6.765,1048 0.268,1049 11.243,1050 5.571,1051 9.56,1052 -0.387,1053 11.786,1054 1.169,1055 7.343,1056 8.836,1057 0.732,1058 13.714,1059 7.123,1060 10.88,1061 -0.464,1062 13.479,1063 -0.919,1064 7.912,1065 9.408,1066 0.188,1067 15.534,1068 7.63,1069 12.214,1070 -0.783,1071 15.19,1072 -1.126,1073 9.201,1074 11.213,1075 0.57,1076 17.795,1077 8.899,1078 2.832,1079 -0.877,1080 16.913,1081 -1.726,1082 9.983,1083 12.015,1084 0.125,1085 19.775,1086 9.616,1087 2.693,1088 8.603,1089 18.646,1090 -2.209,1091 11.133,1092 13.658,1093 0.438,1094 21.954,1095 10.741,1096 2.498,1097 7.75,1098 20.387,1099 3.675,1100 12.026,1101 14.611,1102 0.082,1103 24.01,1104 11.571,1105 2.073,1106 6.96,1107 22.134,1108 3.44,1109 13.109,1110 16.145,1111 0.334,1112 26.157,1113 12.622,1114 1.507,1115 5.894,1116 23.886,1117 2.825,1118 14.06,1119 17.2,1120 0.054,1121 28.252,1122 13.513,1123 1.414,1124 3.666,1125 25.642,1126 2.603,1127 15.11,1128 18.659,1129 0.252,1130 30.389,1131 14.524,1132 1.208,1133 3.149,1134 27.402,1135 2.086,1136 16.094,1137 19.786,1138 0.035,1139 32.504,1140 15.449,1141 5488,1142 7758,1143 16.583,1144 29.841,1145 34.947,1146 35.044,1147 35.256,1148 34.888,1149 34.889,1150 43.4,1151 3.32,1152 91.684,1153 33.58,1154 5.03,1155 5.119,1156 5.839,1157 4.852,1158 4.832,1159 6.675,1160 1.72,1161 14.442,1162 4.67,1163 6.012,1164 1.456,1165 1.46,1166 1.469,1167 1.454,1168 1.454,1169 1.808,1170 0.138,1171 3.82,1172 1.399,1173 3.975,1174 4.013,1175 3.902,1176 3.894,1177 4.949,1178 3.889,1179 3.88,1180 3.932,1181 3.792,1182 3.761,1183 4.747,1184 3.766,1185 3.817,1186 3.86,1187 3.723,1188 3.692,1189 4.474,1190 3.691,1191 3.359,1192 3.418,1193 3.214,1194 3.214,1195 4.247,1196 3.205,1197 3.184,1198 3.259,1199 3.015,1200 2.982,1201 3.967,1202 2.976,1203 3.136,1204 3.244,1205 2.874,1206 2.899,1207 3.702,1208 2.877,1209 2.854,1210 2.925,1211 2.696,1212 2.735,1213 3.674,1214 2.715,1215 2.838,1216 2.901,1217 2.687,1218 2.726,1219 3.644,1220 2.712,1221 0.17,1222 0.13,1223 0.252,1224 0.157,1225 0.118,1226 4.082,1227 0.153,1228 3.119,1229 0.036,1230 6.037,1231 0.358,1232 3.773,1233 0.111,1234 2.832,1235 3.675,1236 0.86,1237 8.603,1238 2.67,1239 1.942,1240 1.912,1241 2.075,1242 2.038,1243 1.279,1244 2.05,1245 1.822,1246 1.793,1247 1.94,1248 1.946,1249 1.254,1250 1.947,1251 1.629,1252 1.57,1253 1.869,1254 1.825,1255 1.092,1256 1.834,1257 1.549,1258 1.469,1259 1.811,1260 1.763,1261 1.01,1262 1.795,1263 1.345,1264 1.284,1265 1.595,1266 1.529,1267 0.734,1268 1.557,1269 1.058,1270 0.968,1271 1.451,1272 1.343,1273 0.581,1274 1.38,1275 0.886,1276 0.821,1277 1.19,1278 1.094,1279 0.392,1280 1.13,1281 0.865,1282 0.801,1283 1.181,1284 1.062,1285 0.264,1286 1.107,1287 3.892,1289 5.153,1290 2.398,1291 6.597,1292 4.595,1293 8.116,1294 6.529,1295 9.671,1297 2.176,1303 6.496,1306 5.949,1308 0.549,1309 2.382,1314 27.552,1315 61.334,1316 142.574,1317 203.064,1318 222.574,1319 229.329,1320 229.329,1321 27.919,1322 6.662,1323 25.36,1324 25.36,1325 17,1326 11.869,1327 3.7,1328 2.807,1329 34.671,1330 84,1331 72,1332 0.2,1333 170.865,1334 293.33,1335 408.671,1336 7008,1338 15.2,1339 0.691,1340 0.602,1341 15.2,1342 13.241,1343 10.81,1344 0.45,1345 0.338,1346 8.035,1347 10.501,1348 7.809,1349 6.503,1350 10.81,1351 8.12,1352 9.226,1353 0.298,1354 0.197,1355 9.226,1356 6.102,1357 7.584,1358 0.2,1359 0.117,1360 7.584,1361 4.429,1362 5.975,1363 0.133,1364 0.067,1365 5.975,1366 2.995,1367 4.332,1368 0.088,1369 0.036,1370 4.332,1371 1.751,1372 0.321,1373 66.926,1374 0.246,1375 22.294,1376 0.526,1377 110,1378 259.026,1379 117.012,1380 252.828,1381 349.21,1382 240,1383 124,1384 253.68,1385 131.928,1386 260.739,1387 372.84,1388 244,1389 5.1}
{0 CHEMBL1972221,1 1.705,2 12.185,3 3.575,4 12.778,5 107.34,6 7.888,7 0.552,8 3.986,9 4.099,10 3.745,11 3.558,12 5.066,13 3.511,14 4.517,15 4.675,16 3.998,17 3.926,18 5.807,19 3.861,20 4.763,21 4.968,22 4.017,23 4.021,24 5.905,25 3.936,26 4.753,27 4.955,28 3.965,29 3.992,30 5.966,31 3.906,32 4.708,33 4.913,34 3.844,35 3.924,36 5.918,37 3.844,38 4.604,39 4.816,40 3.721,41 3.854,42 5.698,43 3.76,44 4.553,45 4.787,46 3.631,47 3.777,48 5.559,49 3.651,50 4.492,51 4.743,52 3.534,53 3.661,54 5.532,55 3.519,56 0.129,57 0.763,58 12.534,59 4.74,60 18.094,61 5.721,62 0.376,63 1.176,64 21.435,65 8.229,66 60.456,67 10.288,68 0.442,69 1.381,70 29.12,71 9.801,72 71.284,73 12.22,74 0.483,75 1.364,76 31.062,77 9.699,78 71.846,79 11.825,80 0.468,81 1.235,82 27.007,83 9.18,84 76.467,85 11.613,86 0.298,87 1.157,88 21.918,89 8.136,90 50.286,91 10.922,92 0.246,93 1.119,94 21.698,95 7.738,96 32.232,97 10.635,98 0.251,99 0.992,100 23.723,101 8.032,102 37.853,103 10.55,104 39,105 41,106 0.286,107 0.624,108 0.765,109 0.846,110 0.856,111 0.856,112 3.34,113 1.082,114 -4.07,115 -4.02,116 -3.8,119 38.8,120 2,121 2,125 1,142 7,143 3,144 1,147 1,152 1,158 1,168 1,172 11,174 1,175 2,178 4,180 6,183 12,188 5,192 1,193 7,196 12,199 1,200 10,205 5,208 9,213 7,216 1,218 5,221 8,225 6,230 7,233 7,238 6,243 6,246 7,250 6,258 6,264 6,267 1,268 2,272 7,276 1148,277 17.98,278 17.98,279 17.98,280 17.98,281 17.98,282 15.697,283 13.507,284 10.504,285 18.247,286 14.217,287 14.217,288 14.217,289 14.217,290 14.217,291 10.57,292 13.959,293 4.82,294 14.645,295 3.91,296 1.9,297 1.06,298 0.577,299 0.521,300 0.521,301 4.018,304 1,305 1,306 1,307 686,308 4.123,311 68.676,312 164.946,315 119.985,319 1.97,320 32.594,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 59,332 329,333 4.697,334 4.458,335 6.74,336 4.147,337 3.216,338 4.52,339 1.907,340 11.041,341 3.065,342 4.572,343 3.594,344 6.572,345 4.101,346 3.124,347 4.488,348 0.149,349 10.461,350 2.963,351 4.153,352 3.112,353 6.101,354 3.759,355 2.771,356 3.774,358 8.912,359 2.731,360 3.718,361 2.793,362 5.288,363 3.356,364 2.361,365 3.135,367 6.714,368 2.344,369 3.627,370 2.447,371 5.248,372 3.236,373 2.254,374 2.9,376 6.535,377 2.202,378 3.257,379 2.017,380 4.783,381 2.797,382 1.819,383 2.525,385 5.109,386 1.769,387 2.975,388 1.549,389 4.41,390 2.486,391 1.503,392 2.193,394 4.278,395 1.475,396 2.659,397 1.273,398 4.06,399 2.173,400 1.193,401 1.729,403 3.23,404 1.167,405 2.5,406 1.212,407 3.593,408 2.109,409 1.116,410 1.5,412 2.275,413 1.106,414 2.182,415 1.012,416 3.414,417 2,418 1,419 1.158,421 1.904,422 1,423 2.143,424 1,425 3.262,426 1.696,427 0.716,428 0.992,430 1.675,431 0.7,432 1.501,433 0.791,434 2.926,435 1.341,436 0.336,437 0.373,439 0.493,440 0.335,441 1.362,442 0.519,443 2.788,444 1.021,445 0.051,446 0.062,448 0.127,449 0.049,450 1.09,451 0.237,452 2.587,453 0.677,454 -0.319,455 -0.411,457 -0.736,458 -0.313,459 1,460 0.033,461 2.19,462 0.416,463 -0.522,464 -0.577,466 -0.885,467 -0.474,468 12.933,469 0.479,470 0.758,471 0.028,472 36,473 1.333,474 19.5,475 0.722,476 16.5,477 0.611,478 21.158,479 0.784,480 29.667,481 0.605,482 27.243,483 1.009,484 6.662,485 0.247,486 6.252,487 0.232,488 0.155,489 0.064,490 0.271,496 0.546,497 1.228,498 0.838,499 1.2,500 0.627,501 0.955,502 0.485,503 1.201,504 0.96,505 1.15,506 0.508,507 1.015,508 1.194,509 1.008,510 1.007,511 0.921,512 1.165,513 0.918,514 1.262,515 1.023,516 1.269,517 1.078,518 1.124,519 0.984,520 1.268,521 0.937,522 0.989,523 0.909,524 1.326,525 0.956,526 0.969,527 1.087,528 0.835,529 0.928,530 0.925,531 1.062,532 0.743,533 1.115,534 0.884,535 0.995,536 0.546,537 1.115,538 0.759,539 0.997,540 0.955,541 1.035,542 0.643,543 0.989,544 7,545 0.224,546 3.333,547 1.854,548 1.231,549 0.955,550 0.611,551 0.411,552 0.313,553 0.155,554 8760,555 26546,556 2.005,557 44.9,558 6,559 9,562 3,563 2,564 2,567 1.698,568 1.851,569 3.54,570 0.981,572 1,577 83.548,578 1.705,579 3.715,580 4.555,581 5.038,582 5.094,583 5.094,584 3.087,585 4.459,586 4.721,587 3.711,588 1302.47,589 8.183,590 17069.1,592 1,594 1,595 275.121,596 1.623,597 4.663,598 0.241,599 0.012,600 0.081,601 0.046,602 0.032,603 0.027,604 0.02,605 0.016,606 0.014,607 0.007,608 0.498,609 0.33,610 1,611 1.637,612 135.472,613 0.093,614 0.018,615 0.2,616 -0.023,617 -0.119,618 0.047,619 0.316,620 -0.085,621 0.02,622 -0.078,623 0.239,624 -0.024,625 -0.16,626 0.013,627 -0.024,628 0.068,629 -0.132,630 0.047,631 -0.182,632 0.033,633 -0.173,634 -0.029,635 -0.066,636 -0.024,637 -0.154,638 0.029,639 -0.092,640 0.027,641 -0.125,642 0.006,643 -0.124,644 -0.11,645 -0.074,646 -0.054,647 -0.095,648 -0.092,649 -0.066,650 -0.111,651 -0.053,652 -0.094,653 -0.018,654 -0.135,655 0.001,656 -0.053,657 0.058,658 -0.024,659 0.066,660 0.033,661 4.222,662 4.866,663 0.556,664 28.837,665 1.009,666 1.128,667 2.841,668 8.071,669 0.671,670 3.401,671 3.738,672 3.951,673 4.205,674 4.394,675 4.511,676 4.691,677 4.812,678 4.828,679 4.934,680 6.961,681 0.636,682 386.52,683 3.401,684 4.949,685 5.784,686 6.671,687 7.527,688 8.419,689 9.285,690 10.18,691 11.052,692 11.947,693 8.2,698 1,700 1,701 1,703 1,708 2,709 7,710 1,711 1,714 4,716 16,735 49,737 19,738 2,739 29,741 51,742 19,743 13,744 5,745 7,748 3,749 4,754 2,760 2,762 14,763 5,767 3,770 1,772 3,776 1,780 1,783 22,784 6,785 3,786 8,787 1,792 4,797 0.667,798 3,807 1,815 1,816 2,819 1,829 1,843 2,845 1,847 2,851 27,855 1,858 3,860 2,874 6.1,877 3,881 14.583,882 9.2,883 6,884 3.135,886 3.376,887 1.456,888 0.993,889 5.829,890 10.773,891 3.714,892 4.366,893 4.874,894 5.497,895 6.041,896 6.438,897 6.955,898 7.412,899 7.684,900 8.107,901 1,902 40,903 10.154,905 4.476,906 7.966,907 18.889,909 15.503,911 2.466,912 66.583,914 1,915 1,916 223.651,917 116.638,918 67.742,920 69.458,922 5.807,923 110.83,924 293.109,925 67.742,926 17.65,927 23.98,928 72.141,929 107.231,930 28.364,931 4.472,932 223.651,934 223.651,935 178.572,936 69.458,937 5.807,939 200.109,940 93,943 58.293,944 87.211,945 38.875,947 223.651,948 137.2,949 116.638,951 5.807,952 223.651,953 26.846,954 83.984,955 51.079,956 86.121,957 223.651,958 137.2,959 116.638,961 0.58,962 0.326,963 0.17,964 0.088,965 19,966 9,967 0.137,968 7,969 1,970 1.133,971 3.844,972 222.546,973 0.133,974 15,975 122.382,980 1,981 19.399,982 8.113,983 4.678,984 1.649,985 120.537,986 12.98,987 4.156,988 2.902,991 2.915,993 51.079,994 477.488,995 40,998 -3.306,1000 35.387,1004 -0.1,1007 49.418,1008 55.278,1009 0.304,1010 0.662,1011 0.811,1012 0.897,1013 0.907,1014 0.907,1015 4.949,1016 1.193,1017 5.808,1018 4.278,1019 4.419,1020 5.053,1021 1.953,1022 6.645,1023 4.362,1024 6.203,1025 1.116,1026 7.39,1027 3.23,1028 4.205,1029 5.19,1030 1.593,1031 7.796,1032 4.09,1033 7.562,1034 1,1035 9.076,1036 2.275,1037 6.094,1038 7.412,1039 2.904,1040 10.765,1041 5.959,1042 8.962,1043 0.716,1044 10.823,1045 1.904,1046 6.661,1047 8.333,1048 3.032,1049 12.684,1050 6.457,1051 10.393,1052 0.336,1053 12.609,1054 1.675,1055 8.072,1056 10.097,1057 4.037,1058 15.237,1059 7.845,1060 11.846,1061 0.051,1062 14.42,1063 0.493,1064 8.967,1065 11.342,1066 4.409,1067 17.438,1068 8.67,1069 13.316,1070 -0.319,1071 16.25,1072 0.127,1073 10.206,1074 12.943,1075 5.25,1076 19.866,1077 9.877,1078 3.216,1079 -0.522,1080 18.092,1081 -0.736,1082 11.243,1083 14.328,1084 5.75,1085 22.175,1086 10.848,1087 3.124,1088 11.041,1089 19.945,1090 -0.885,1091 12.42,1092 15.868,1093 6.501,1094 24.565,1095 11.985,1096 2.771,1097 10.461,1098 21.806,1099 4.52,1100 13.519,1101 17.316,1102 7.068,1103 26.915,1104 13.023,1105 2.361,1106 8.912,1107 23.672,1108 4.488,1109 14.674,1110 18.831,1111 7.771,1112 29.296,1113 14.133,1114 2.254,1115 6.714,1116 25.544,1117 3.774,1118 15.801,1119 20.307,1120 8.374,1121 31.664,1122 15.202,1123 1.819,1124 6.535,1125 27.419,1126 3.135,1127 16.951,1128 21.814,1129 9.051,1130 34.044,1131 16.303,1132 1.503,1133 5.109,1134 29.298,1135 2.9,1136 18.091,1137 23.304,1138 9.674,1139 36.42,1140 17.388,1141 8737,1142 15340,1143 18.781,1144 32.887,1145 42.865,1146 45.072,1147 44.933,1148 42.983,1149 42.92,1150 58.7,1151 4.112,1152 125.508,1153 41.81,1154 5.537,1155 6.458,1156 6.457,1157 5.169,1158 5.216,1159 7.52,1160 3.306,1161 17.775,1162 5.065,1163 15.569,1164 1.478,1165 1.554,1166 1.549,1167 1.482,1168 1.48,1169 2.024,1170 0.142,1171 4.328,1172 1.442,1173 4.137,1174 4.17,1175 4.723,1176 4.057,1177 7.716,1178 4.052,1179 4.01,1180 4,1181 4.093,1182 3.958,1183 7.429,1184 3.868,1185 3.807,1186 3.821,1187 3.793,1188 3.741,1189 6.999,1190 3.704,1191 3.633,1192 3.683,1193 3.53,1194 3.448,1195 5.083,1196 3.455,1197 3.409,1198 3.472,1199 3.26,1200 3.241,1201 4.746,1202 3.216,1203 3.306,1204 3.363,1205 3.218,1206 3.146,1207 4.332,1208 3.135,1209 3.06,1210 3.143,1211 2.914,1212 2.87,1213 4.076,1214 2.869,1215 2.879,1216 2.937,1217 2.728,1218 2.735,1219 4.041,1220 2.715,1221 0.162,1222 0.154,1223 0.232,1224 0.143,1225 0.111,1226 4.697,1227 0.156,1228 4.458,1229 0.066,1230 6.74,1231 0.381,1232 4.147,1233 0.106,1234 3.216,1235 4.52,1236 1.907,1237 11.041,1238 3.065,1239 2.014,1240 1.996,1241 2.087,1242 2.082,1243 1.278,1244 2.095,1245 1.847,1246 1.848,1247 1.915,1248 1.959,1249 1.224,1250 2,1251 1.721,1252 1.706,1253 1.885,1254 1.855,1255 1.027,1256 1.867,1257 1.608,1258 1.552,1259 1.854,1260 1.829,1261 0.994,1262 1.836,1263 1.336,1264 1.297,1265 1.463,1266 1.622,1267 0.695,1268 1.606,1269 1.313,1270 1.234,1271 1.38,1272 1.543,1273 0.442,1274 1.583,1275 1.052,1276 1.006,1277 1.239,1278 1.296,1279 0.343,1280 1.287,1281 0.886,1282 0.821,1283 1.181,1284 1.082,1285 0.218,1286 1.107,1287 4.078,1289 5.407,1290 2.398,1291 6.921,1292 4.727,1293 8.515,1294 6.823,1295 10.154,1297 3.609,1303 1.038,1305 5.352,1314 31.158,1315 83.548,1316 182.043,1317 223.205,1318 246.856,1319 249.611,1320 249.611,1321 60.555,1322 7.397,1323 103.95,1324 112.33,1325 17,1326 12.477,1327 4.322,1328 3.585,1329 47.198,1330 112,1331 119,1332 0.208,1333 197.722,1334 335.24,1335 474.203,1336 15779,1338 19.441,1339 0.72,1340 0.595,1341 19.691,1342 16.059,1343 12.914,1344 0.445,1345 0.361,1346 8.845,1347 11.709,1348 8.46,1349 7.092,1350 13.768,1351 10.457,1352 11.983,1353 0.292,1354 0.197,1355 13.292,1356 8.074,1357 9.331,1358 0.183,1359 0.11,1360 10.215,1361 5.599,1362 7.708,1363 0.117,1364 0.059,1365 8.591,1366 3.874,1367 5.833,1368 0.073,1369 0.028,1370 6.291,1371 2.24,1372 0.331,1373 89.295,1374 0.231,1375 26.168,1376 0.556,1377 140,1378 434.711,1379 187.333,1380 442.657,1381 595.6,1382 406,1383 162,1384 414.759,1385 216.658,1386 451.426,1387 650.69,1388 423,1389 5.1}
{0 CHEMBL1972250,1 1.511,2 9.917,3 4.443,4 19.738,5 90.978,6 8.676,7 0.63,8 3.72,9 3.815,10 3.43,11 3.362,12 5.006,13 3.364,14 4.188,15 4.314,16 3.788,17 3.748,18 5.339,19 3.742,20 4.338,21 4.468,22 3.87,23 3.863,24 5.557,25 3.838,26 4.451,27 4.626,28 3.782,29 3.844,30 5.642,31 3.794,32 4.426,33 4.635,34 3.65,35 3.742,36 5.525,37 3.673,38 4.285,39 4.497,40 3.475,41 3.582,42 5.388,43 3.511,44 4.073,45 4.283,46 3.307,47 3.421,48 5.23,49 3.344,50 3.988,51 4.237,52 3.13,53 3.212,54 5.17,55 3.14,56 0.05,57 0.51,58 4.848,59 2.696,60 10.703,61 2.976,62 0.125,63 0.799,64 9.674,65 4.608,66 17.438,67 5.025,68 0.094,69 0.944,70 10.46,71 5.44,72 19.631,73 6.232,74 0.184,75 1.088,76 13.82,77 6.08,78 31.702,79 6.975,80 0.241,81 1.045,82 15.782,83 6.518,84 36.729,85 8.091,86 0.234,87 0.884,88 14.333,89 5.782,90 36.869,91 7.055,92 0.111,93 0.737,94 10.771,95 4.67,96 22.19,97 6.015,98 0.158,99 0.682,100 11.755,101 4.388,102 30.057,103 5.702,104 19,105 39,106 0.266,107 0.737,108 0.837,109 0.876,110 0.876,111 0.876,112 3.229,113 0.818,114 -3.72,115 -3.68,116 -3.5,119 52.8,121 1,124 1,140 1,141 1,142 4,143 5,144 1,145 1,146 2,152 1,158 1,168 1,172 10,175 6,180 2,183 12,187 1,188 8,193 4,196 11,199 1,200 7,205 2,208 9,213 5,216 2,218 2,221 8,224 1,225 3,230 1,233 6,237 1,238 5,243 1,246 4,250 4,253 1,258 3,263 1,264 4,272 2,276 750,277 16.782,278 16.782,279 16.782,280 16.782,281 16.782,282 14.654,283 16.406,284 9.561,285 17.085,286 13.134,287 13.134,288 13.134,289 13.134,290 13.134,291 9.598,292 18.273,293 4.268,294 13.531,295 3.659,296 0.978,297 0.41,298 0.188,299 0.188,300 0.188,301 3.928,305 1,306 1,307 518,308 2.739,311 79.893,312 117.334,314 65.354,315 74.128,318 102.578,319 1.59,320 19.265,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 51,332 238,333 4.678,334 4.057,335 6.941,336 4.317,337 3.33,338 4.416,339 2.035,340 11.76,341 3.286,342 4.315,343 3.48,344 6.357,345 3.891,346 2.912,347 3.974,348 0.86,349 9.721,350 2.852,351 4.074,352 3.171,353 6.033,354 3.608,355 2.635,356 3.619,357 0.68,358 8.586,359 2.562,360 3.842,361 2.753,362 5.449,363 3.345,364 2.376,365 3.184,367 6.953,368 2.3,369 3.453,370 2.411,371 5.249,372 2.945,373 1.969,374 2.701,376 6.281,377 1.918,378 3.328,379 2.256,380 4.957,381 2.777,382 1.788,383 2.396,385 5.501,386 1.767,387 3.093,388 2.009,389 4.391,390 2.371,391 1.418,392 1.859,394 3.902,395 1.343,396 2.887,397 1.854,398 4.056,399 2.096,400 1.128,401 1.607,403 3.098,404 1.09,405 2.605,406 1.205,407 3.561,408 1.959,409 1,410 1.5,412 2.275,413 0.956,414 2.5,415 1.028,416 3.414,417 1.753,418 0.805,419 1.194,421 1.875,422 0.757,423 2.47,424 1,425 2.93,426 1.421,427 0.486,428 0.913,430 0.77,431 0.452,432 1.923,433 0.698,434 2.803,435 1.313,436 0.364,437 0.57,439 0.501,440 0.342,441 1.392,442 0.408,443 2.72,444 1.1,445 0.153,446 0.192,448 0.295,449 0.145,450 1.008,451 0.077,452 2.41,453 0.464,454 -0.484,455 -0.684,457 -0.962,458 -0.456,459 0.834,460 -0.302,461 2.323,462 0.339,463 -0.654,464 -0.983,466 -1.46,467 -0.644,468 11.433,469 0.476,470 0.513,471 0.021,472 36.75,473 1.531,474 21.5,475 0.896,476 15.25,477 0.635,478 15.298,479 0.637,480 22.767,481 0.632,482 25.167,483 1.049,484 7.302,485 0.304,486 4.443,487 0.185,488 0.122,490 0.394,496 0.772,497 0.918,498 0.642,499 0.843,500 0.567,501 0.749,502 1.189,503 0.913,504 0.743,505 0.739,506 0.585,507 0.694,508 0.858,509 1.153,510 0.898,511 1.117,512 0.529,513 1.042,514 1.079,515 1.09,516 1.157,517 1.128,518 0.854,519 1.144,520 0.892,521 0.968,522 1.053,523 1.039,524 0.935,525 1.063,526 1.104,527 0.957,528 1.073,529 0.975,530 0.883,531 1.017,532 0.625,533 1.08,534 0.995,535 1.123,536 0.562,537 1.116,538 0.908,539 0.846,540 0.914,541 0.867,542 0.997,543 0.876,544 4.5,545 0.094,546 3.111,547 1.667,548 1.482,549 1.056,550 0.541,551 0.315,552 0.26,553 0.091,554 6166,555 18955,556 2.135,557 33.3,558 2,559 7,560 1,561 1,562 1,567 1.669,568 2,569 3.284,570 -0.342,572 1,577 54.387,578 1.511,579 4.192,580 4.76,581 4.982,582 4.982,583 4.982,584 2.757,585 4.252,586 4.55,587 3.394,588 936.673,589 7.859,590 10586.1,592 1,594 1,595 186.117,596 1.406,597 4.518,598 0.167,599 0.009,600 0.08,601 0.041,602 0.041,603 0.034,604 0.021,605 0.014,606 0.014,607 0.007,608 0.428,609 0.5,610 1,611 0.941,612 112.727,613 0.034,614 0.061,615 0.047,616 0.013,617 0.034,618 0.028,619 -0.168,620 0.045,621 0.068,622 0.175,623 -0.052,624 0.159,625 -0.014,626 -0.201,627 -0.098,628 -0.209,629 0.087,630 -0.181,631 -0.132,632 -0.092,633 -0.237,634 -0.194,635 -0.069,636 -0.222,637 0.055,638 -0.003,639 -0.018,640 -0.037,641 -0.111,642 -0.038,643 -0.03,644 -0.012,645 -0.003,646 0.049,647 -0.09,648 0.029,649 0.076,650 -0.127,651 0.017,652 -0.121,653 0.179,654 -0.076,655 0.047,656 0.137,657 0.243,658 0.182,659 0.069,660 0.237,661 1.28,662 2.869,663 0.75,664 21.146,665 1.007,666 1.107,667 2.486,668 6.181,669 0.737,670 3.332,671 3.689,672 4.06,673 4.382,674 4.644,675 4.86,676 5.081,677 5.215,678 5.328,679 5.403,680 5.66,681 0.72,682 312.35,683 3.332,684 4.89,685 5.784,686 6.693,687 7.607,688 8.528,689 9.451,690 10.377,691 11.306,692 12.236,693 11.1,701 1,702 1,703 2,709 5,710 2,711 1,714 9,716 17,718 1,733 1,735 36,737 19,738 1,739 27,741 39,742 19,743 14,744 4,745 2,748 4,749 7,757 1,760 1,761 3,762 14,763 2,780 1,783 12,784 4,785 1,786 5,792 4,797 0.5,798 1,807 1,809 1,815 2,816 2,818 1,819 1,822 1,823 1,824 1,843 2,847 1,851 24,858 1,861 1,866 2,867 1,870 1,872 2,874 2.8,879 1,881 12,882 7.267,883 5.417,884 2.065,886 3.689,887 1.48,888 1.034,889 3.257,890 11.382,891 3.701,892 4.307,893 5.01,894 5.642,895 6.195,896 6.659,897 7.195,898 7.604,899 8.037,900 8.462,901 0.857,902 41,903 8.752,905 3.753,906 7.813,907 16.525,909 13.703,911 2.313,912 55.5,916 129.482,917 146.765,918 81.171,920 11,923 146.765,924 140.482,925 81.171,926 10.883,927 2.535,928 37.905,929 61.821,930 94.454,931 54.88,932 105.94,934 129.482,935 227.936,936 11,939 129.482,940 11,943 64.818,944 112.639,945 50.479,947 129.482,948 92.171,949 146.765,952 129.482,953 31.976,954 57.835,955 50.295,956 98.829,957 129.482,958 92.171,959 146.765,961 0.579,962 0.368,963 0.204,964 0.11,965 21,966 9,967 0.051,968 2,969 2,970 1.222,971 3.579,972 207.752,973 0.222,974 18,975 110.039,981 14.364,982 5.442,983 2.164,985 75.508,986 9.167,987 8.552,988 3.108,991 7.826,993 16.663,994 368.418,995 39.5,1007 36.269,1008 39.863,1009 0.292,1010 0.811,1011 0.921,1012 0.964,1013 0.964,1014 0.964,1015 4.965,1016 1.128,1017 5.784,1018 3.902,1019 4.369,1020 4.994,1021 2.458,1022 6.663,1023 4.319,1024 6.211,1025 1,1026 7.383,1027 3.098,1028 4.007,1029 4.808,1031 7.687,1032 3.951,1033 7.543,1034 0.805,1035 9.081,1036 2.275,1037 6.028,1038 7.259,1039 3.606,1040 10.819,1041 5.943,1042 8.912,1043 0.486,1044 10.837,1045 1.875,1046 6.524,1047 7.943,1049 12.674,1050 6.43,1051 10.311,1052 0.364,1053 12.629,1054 0.77,1055 7.995,1056 9.809,1057 4.969,1058 15.333,1059 7.882,1060 11.734,1061 0.153,1062 14.447,1063 0.501,1064 8.868,1065 10.888,1067 17.529,1068 8.745,1069 13.174,1070 -0.484,1071 16.283,1072 0.295,1073 10.14,1074 12.518,1075 6.379,1076 20.04,1077 10.003,1078 3.33,1079 -0.654,1080 18.134,1081 -0.962,1082 11.183,1083 13.789,1085 22.38,1086 11.036,1087 2.912,1088 11.76,1089 19.997,1090 -1.46,1091 12.387,1092 15.32,1093 7.797,1094 24.845,1095 12.227,1096 2.635,1097 9.721,1098 21.869,1099 4.416,1100 13.506,1101 16.687,1103 27.248,1104 13.336,1105 2.376,1106 8.586,1107 23.749,1108 3.974,1109 14.69,1110 18.176,1111 9.217,1112 29.702,1113 14.508,1114 1.969,1115 6.953,1116 25.635,1117 3.619,1118 15.845,1119 19.592,1121 32.134,1122 15.652,1123 1.788,1124 6.281,1125 27.528,1126 3.184,1127 17.026,1128 21.066,1129 10.638,1130 34.587,1131 16.822,1132 1.418,1133 5.501,1134 29.426,1135 2.701,1136 18.199,1137 22.507,1139 37.033,1140 17.983,1141 5944,1142 10508,1143 18.205,1144 26.523,1145 43.226,1146 44.014,1147 43.118,1148 40.659,1149 40.728,1150 56.248,1151 7.149,1152 123.032,1153 39.543,1154 5.467,1155 6.057,1156 6.492,1157 5.356,1158 5.33,1159 7.416,1160 4.069,1161 19.308,1162 5.286,1163 11.078,1164 1.601,1165 1.63,1166 1.597,1167 1.506,1168 1.508,1169 2.083,1170 0.265,1171 4.557,1172 1.465,1173 4.13,1174 4.161,1175 4.101,1176 4.052,1177 6.821,1178 4.059,1179 3.874,1180 3.903,1181 3.838,1182 3.79,1183 5.448,1184 3.798,1185 3.671,1186 3.711,1187 3.638,1188 3.542,1189 5.041,1190 3.559,1191 3.261,1192 3.323,1193 3.189,1194 3.136,1195 4.786,1196 3.143,1197 3.221,1198 3.26,1199 3.099,1200 3.019,1201 4.703,1202 3.031,1203 3.113,1204 3.178,1205 3.054,1206 2.922,1207 4.294,1208 2.945,1209 2.97,1210 3.049,1211 2.773,1212 2.791,1213 3.819,1214 2.773,1215 2.777,1216 2.859,1217 2.631,1218 2.602,1219 3.66,1220 2.601,1221 0.173,1222 0.15,1223 0.257,1224 0.16,1225 0.123,1226 4.678,1227 0.164,1228 4.057,1229 0.075,1230 6.941,1231 0.436,1232 4.317,1233 0.122,1234 3.33,1235 4.416,1236 2.035,1237 11.76,1238 3.286,1239 1.911,1240 1.898,1241 1.982,1242 1.993,1243 1.165,1244 1.988,1245 1.868,1246 1.84,1247 1.941,1248 1.965,1249 1.051,1250 1.96,1251 1.515,1252 1.484,1253 1.643,1254 1.654,1255 0.847,1256 1.642,1257 1.331,1258 1.29,1259 1.565,1260 1.584,1261 0.58,1262 1.566,1263 1.197,1264 1.139,1265 1.433,1266 1.48,1267 0.358,1268 1.482,1269 1.182,1270 1.122,1271 1.288,1272 1.321,1273 0.267,1274 1.329,1275 0.953,1276 0.872,1277 1.133,1278 1.194,1279 0.091,1280 1.177,1281 0.786,1282 0.722,1283 1.032,1284 0.997,1286 1.022,1287 4.007,1289 5.352,1290 3.045,1291 6.905,1292 5.476,1293 8.552,1294 7.644,1295 10.253,1297 1.61,1303 0.745,1306 5.376,1311 5.564,1312 8.869,1313 4.682,1314 25.908,1315 54.387,1316 150.898,1317 171.362,1318 179.362,1319 179.362,1320 179.362,1321 31.27,1322 7.692,1323 74.59,1324 74.59,1325 22,1326 12.739,1327 4.322,1328 3.755,1329 33.875,1330 81,1331 95,1332 0.214,1333 159.496,1334 276.23,1335 380.93,1336 21083,1338 16.681,1339 0.695,1340 0.538,1341 16.681,1342 12.921,1343 11.745,1344 0.435,1345 0.273,1346 7.269,1347 11.353,1348 7.067,1349 5.864,1350 11.745,1351 7.365,1352 10.226,1353 0.262,1354 0.141,1355 10.226,1356 5.5,1357 9.634,1358 0.169,1359 0.074,1360 9.634,1361 4.236,1362 8.257,1363 0.105,1364 0.039,1365 8.257,1366 3.075,1367 6.698,1368 0.065,1369 0.02,1370 6.698,1371 2.1,1372 0.328,1373 73.302,1374 0.234,1375 23.104,1376 0.606,1377 132,1378 387.004,1379 140.735,1380 386.94,1381 537.37,1382 362,1383 162,1384 403.87,1385 171.929,1386 416.645,1387 606.96,1388 390,1389 5.1}
{0 CHEMBL1972258,1 1.48,2 9.895,3 0.732,4 0.536,5 76.477,6 7.093,7 0.6,8 3.658,9 3.787,10 3.176,11 3.187,12 4.79,13 3.16,14 4.127,15 4.306,16 3.391,17 3.496,18 5.173,19 3.437,20 4.328,21 4.557,22 3.345,23 3.553,24 5.283,25 3.45,26 4.248,27 4.498,28 3.174,29 3.43,30 5.179,31 3.305,32 4.148,33 4.396,34 3.123,35 3.364,36 5.038,37 3.256,38 4.05,39 4.264,40 3.142,41 3.359,42 5.033,43 3.255,44 4.117,45 4.373,46 3.078,47 3.282,48 5.11,49 3.167,50 3.986,51 4.257,52 2.835,53 3.055,54 4.927,55 2.935,56 0.029,57 0.517,58 7.659,59 3.14,60 8.858,61 4.288,62 0.115,63 0.758,64 13.276,65 4.881,66 17.142,67 6.745,68 0.218,69 0.841,70 17.23,71 6.222,72 25.457,73 8.745,74 0.187,75 0.761,76 16.046,77 5.812,78 26.346,79 8.329,80 0.162,81 0.7,82 14.554,83 5.138,84 19.426,85 7.325,86 0.078,87 0.691,88 12.415,89 4.706,90 15.148,91 6.775,92 0.131,93 0.707,94 13.935,95 4.675,96 23.383,97 6.975,98 0.166,99 0.581,100 12.685,101 3.95,102 21.185,103 5.838,104 6,105 24,106 0.271,107 0.617,108 0.79,109 0.855,110 0.866,111 0.866,112 3.008,113 0.936,114 -2.15,115 -2.2,116 -2.17,119 41.7,121 1,125 2,135 2,142 3,143 2,144 1,145 4,163 1,164 1,165 1,172 6,175 5,180 1,183 6,185 1,187 1,188 4,196 4,200 3,202 1,203 1,208 4,213 4,221 3,225 4,230 1,233 1,235 1,238 3,240 1,241 1,243 1,246 1,248 1,249 1,255 1,258 1,260 1,263 1,269 1,272 2,274 1,276 480,277 13.267,278 13.267,279 13.267,280 13.267,281 13.267,282 11.687,283 6.973,284 8.57,285 13.554,286 9.898,287 9.898,288 9.898,289 9.898,290 9.898,291 7.576,292 7.519,293 4.105,294 10.335,295 3.69,296 1.8,297 0.854,298 0.5,299 0.444,300 0.444,301 3.676,305 1,306 1,307 388,308 2.739,312 133.418,319 1.69,320 11.255,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 40.5,332 188,333 4.112,334 2.928,335 5.607,336 3.683,337 2.711,338 3.726,339 0.86,340 7.764,341 2.641,342 3.915,343 2.544,344 5.337,345 3.487,346 2.502,347 3.481,349 6.962,350 2.459,351 3.427,352 2.289,353 4.967,354 3.046,355 2.098,356 2.707,358 5.905,359 1.975,360 2.974,361 1.763,362 3.66,363 2.57,364 1.607,365 2.152,367 3.188,368 1.542,369 2.731,370 1.499,371 3.603,372 2.427,373 1.486,374 1.808,376 3.077,377 1.395,378 2.592,379 1.285,380 3.474,381 2.139,382 1.219,383 1.601,385 2.618,386 1.119,387 2.5,388 1.063,389 3.247,390 1.984,391 1,392 1.5,394 2.136,395 0.983,396 2.306,397 1,398 3.086,399 1.624,400 0.713,401 0.984,403 1.423,404 0.642,405 1.786,406 0.603,407 2.811,408 1.574,409 0.598,410 0.747,412 1.205,413 0.584,414 0.985,415 0.069,416 2.299,417 0.702,418 -0.213,419 -0.233,421 -0.372,422 -0.193,423 0.87,424 -0.404,425 2,426 0.556,427 -0.42,428 -0.52,430 -1.003,431 -0.408,432 0.655,433 -0.525,434 1.639,435 0.134,436 -0.808,437 -0.985,439 -1.648,440 -0.745,441 0.5,442 -0.866,443 1.555,444 0.078,445 -0.887,446 -1.322,448 -2.155,449 -0.862,450 0.449,451 -1,452 1.458,453 -0.049,454 -1,455 -1.5,457 -2.347,458 -0.946,459 -0.087,460 -1.208,461 1.1,462 -0.367,463 -1.336,464 -1.585,466 -2.913,467 -1.277,468 9.033,469 0.475,470 0.205,471 0.011,472 25.75,473 1.355,474 14,475 0.737,476 11.75,477 0.618,478 11.245,479 0.592,480 20.367,481 0.566,482 15.826,483 0.833,484 5.326,485 0.28,486 4.056,487 0.213,488 0.044,490 0.166,496 0.96,497 1.26,498 0.859,499 1.092,500 1.064,501 0.978,502 1.35,503 1.082,504 1.065,505 1.049,506 1.108,507 1.025,508 1.194,509 0.931,510 1.01,511 0.973,512 1.024,513 0.981,514 0.94,515 0.924,516 0.964,517 1,518 0.86,519 0.994,520 1.23,521 0.831,522 0.949,523 0.821,524 0.924,525 0.854,526 0.826,527 1.242,528 1.051,529 1.193,530 0.859,531 1.157,532 0.854,533 1.092,534 0.995,535 1.074,536 0.974,537 1.047,538 1.288,539 0.903,540 1.035,541 0.922,542 1.027,543 0.941,544 2.5,545 0.021,546 0.889,547 0.438,548 0.533,549 0.271,550 0.144,551 0.155,552 0.074,553 0.026,554 3536,555 9275,556 2.056,557 47.2,559 9,561 4,562 2,565 2,567 1.597,568 2,569 3.312,570 0.341,572 1,574 1,577 53.272,578 1.48,579 3.37,580 4.316,581 4.67,582 4.725,583 4.725,584 2.76,585 3.722,586 4.215,587 3.426,588 585.798,589 7.155,590 6067.11,592 1,595 186.117,596 0.913,597 4.215,598 0.125,599 0.003,600 0.037,601 0.02,602 0.03,603 0.015,604 0.008,605 0.01,606 0.006,607 0.003,608 0.257,609 0.5,610 1,611 1.341,612 84.91,613 -0.055,614 -0.086,615 0.031,616 -0.036,617 -0.103,618 0.006,619 -0.183,620 -0.002,621 -0.12,622 -0.043,623 -0.128,624 -0.065,625 -0.019,626 0.024,627 -0.031,628 0.022,629 -0.071,630 -0.004,631 0.066,632 0.004,633 0.011,634 -0.009,635 0.053,636 -0.006,637 -0.145,638 0.11,639 0.034,640 0.167,641 -0.072,642 0.128,643 -0.065,644 -0.216,645 -0.127,646 -0.184,647 -0.054,648 -0.169,649 0.03,650 -0.097,651 -0.024,652 -0.127,653 0.045,654 -0.088,655 -0.057,656 0.042,657 -0.016,658 -0.003,659 0.031,660 -0.004,661 0.898,662 2.053,663 0.632,664 16.277,665 0.995,666 1.128,667 0.922,668 0.851,669 0.661,670 3.045,671 3.219,672 3.367,673 3.526,674 3.689,675 3.555,676 3.584,677 3.611,678 3.638,679 3.555,680 5.777,681 0.624,682 255.35,683 3.045,684 4.489,685 5.263,686 6.061,687 6.853,688 7.662,689 8.461,690 9.274,691 10.077,692 10.893,693 8.3,694 1,703 2,709 7,710 2,714 3,716 12,733 1,735 36,737 13,739 20,741 37,742 15,743 10,746 2,748 2,749 2,754 1,760 1,762 12,763 3,767 1,774 2,780 1,783 17,784 4,785 2,786 4,792 3,797 1,798 1,809 2,816 2,834 2,836 1,843 2,851 19,852 1,858 3,861 1,874 2.8,879 1,881 9.5,882 6.15,883 4.5,884 2.058,886 2.776,887 1.456,888 0.956,889 5.234,890 8.865,891 3.332,892 3.807,893 4.317,894 4.818,895 5.335,896 5.341,897 5.705,898 6.009,899 6.415,900 6.657,901 0.857,902 22,903 6.949,905 2.724,906 7.658,907 13.326,909 10.107,911 2.158,912 41,913 0.001,916 176.567,917 104.418,918 66.468,920 11,923 104.418,924 187.566,925 66.468,927 42.13,928 47.381,929 80.655,930 58.804,932 129.482,934 176.567,935 170.886,936 11,939 153.024,940 34.542,943 78.319,944 40.043,945 52.524,947 176.567,948 77.468,949 104.418,952 176.567,953 20.847,954 83.571,956 77.468,957 176.567,958 77.468,959 104.418,961 0.537,962 0.292,963 0.155,964 0.086,965 9,966 3,967 0.162,968 6,970 1,971 3.345,972 121.574,974 12,975 76.711,981 13.407,982 7.418,983 4.624,985 77.468,986 12.903,987 8.136,991 2.872,993 32.897,994 358.453,995 27,1002 4.014,1007 35.818,1008 40.611,1009 0.286,1010 0.652,1011 0.835,1012 0.903,1013 0.914,1014 0.914,1015 4.466,1016 0.713,1017 5.142,1018 2.136,1019 3.892,1020 4.489,1021 0.908,1022 5.759,1023 3.814,1024 5.597,1025 0.598,1026 6.564,1027 1.423,1028 2.944,1029 3.726,1031 6.188,1032 2.879,1033 6.823,1034 -0.213,1035 8.081,1036 1.205,1037 5.283,1038 6.542,1039 0.739,1040 9.25,1041 5.148,1042 8.087,1043 -0.42,1044 9.656,1045 -0.372,1046 5.198,1047 6.648,1049 10.547,1050 5.082,1051 9.384,1052 -0.808,1053 11.269,1054 -1.003,1055 6.911,1056 8.844,1057 0.593,1058 13.017,1059 6.731,1060 10.704,1061 -0.887,1062 12.908,1063 -1.648,1064 7.284,1065 9.4,1067 14.683,1068 7.117,1069 12.041,1070 -1,1071 14.564,1072 -2.155,1073 8.666,1074 11.264,1075 0.469,1076 16.912,1077 8.447,1078 2.711,1079 -1.336,1080 16.232,1081 -2.347,1082 9.299,1083 12.083,1085 18.756,1086 9.082,1087 2.502,1088 7.764,1089 17.908,1090 -2.913,1091 10.5,1092 13.748,1093 0.366,1094 20.877,1095 10.241,1096 2.098,1097 6.962,1098 19.591,1099 3.726,1100 11.282,1101 14.732,1103 22.812,1104 11.016,1105 1.607,1106 5.905,1107 21.278,1108 3.481,1109 12.384,1110 16.271,1111 0.283,1112 24.885,1113 12.081,1114 1.486,1115 3.188,1116 22.968,1117 2.707,1118 13.252,1119 17.363,1121 26.867,1122 12.936,1123 1.219,1124 3.077,1125 24.661,1126 2.152,1127 14.299,1128 18.821,1129 0.217,1130 28.918,1131 13.951,1132 1,1133 2.618,1134 26.357,1135 1.808,1136 15.217,1137 19.983,1139 30.926,1140 14.85,1141 3566,1142 5856,1143 13.693,1144 23.801,1145 28.386,1146 28.04,1147 28.386,1148 27.877,1149 27.869,1150 37.414,1151 1.72,1152 68.555,1153 26.68,1154 4.95,1155 4.928,1156 5.517,1157 4.724,1158 4.711,1159 6.726,1160 1.72,1161 13.339,1162 4.588,1163 5.766,1164 1.419,1165 1.402,1166 1.419,1167 1.394,1168 1.393,1169 1.871,1170 0.086,1171 3.428,1172 1.334,1173 3.954,1174 3.987,1175 3.9,1176 3.868,1177 5.019,1178 3.871,1179 3.817,1180 3.856,1181 3.76,1182 3.702,1183 4.963,1184 3.711,1185 3.62,1186 3.697,1187 3.457,1188 3.441,1189 4.89,1190 3.434,1191 3.279,1192 3.333,1193 3.178,1194 3.138,1195 4.421,1196 3.141,1197 3.072,1198 3.172,1199 2.899,1200 2.762,1201 4.234,1202 2.78,1203 2.854,1204 2.925,1205 2.687,1206 2.735,1207 3.714,1208 2.715,1209 2.739,1210 2.816,1211 2.598,1212 2.566,1213 3.674,1214 2.561,1215 2.697,1216 2.773,1217 2.566,1218 2.48,1219 3.593,1220 2.493,1221 0.206,1222 0.146,1223 0.28,1224 0.184,1225 0.136,1226 4.112,1227 0.186,1228 2.928,1229 0.043,1230 5.607,1231 0.388,1232 3.683,1233 0.132,1234 2.711,1235 3.726,1236 0.86,1237 7.764,1238 2.641,1239 1.912,1240 1.884,1241 2.014,1242 2.021,1243 1.165,1244 2.02,1245 1.781,1246 1.748,1247 1.913,1248 1.928,1249 1.069,1250 1.924,1251 1.605,1252 1.535,1253 1.848,1254 1.82,1255 0.909,1256 1.837,1257 1.254,1258 1.205,1259 1.453,1260 1.448,1261 0.49,1262 1.453,1263 1.004,1264 0.905,1265 1.36,1266 1.343,1267 0.417,1268 1.355,1269 0.886,1270 0.821,1271 1.181,1272 1.062,1273 0.218,1274 1.107,1275 0.723,1276 0.655,1277 0.997,1278 0.966,1279 0.053,1280 0.977,1281 0.657,1282 0.574,1283 0.94,1284 0.892,1286 0.913,1287 3.714,1289 4.92,1291 6.323,1293 7.813,1295 9.348,1301 5.423,1303 2.099,1306 5.553,1314 22.467,1315 53.272,1316 121.323,1317 155.362,1318 168.117,1319 170.117,1320 170.117,1321 23.294,1322 6.089,1323 61.03,1324 61.03,1325 12,1326 11.48,1327 3.807,1328 3,1329 33.847,1330 64,1331 71,1332 0.254,1333 143.756,1334 244.85,1335 342.525,1336 3165,1338 13.339,1339 0.702,1340 0.563,1341 13.339,1342 10.697,1343 9.381,1344 0.469,1345 0.312,1346 6.161,1347 9.049,1348 6.036,1349 5.063,1350 9.381,1351 6.243,1352 7.476,1353 0.311,1354 0.169,1355 7.476,1356 4.059,1357 5.815,1358 0.208,1359 0.09,1360 5.815,1361 2.526,1362 4.557,1363 0.138,1364 0.047,1365 4.557,1366 1.546,1367 3.577,1368 0.092,1369 0.025,1370 3.577,1371 0.986,1372 0.405,1373 58.55,1374 0.27,1375 19.641,1376 0.67,1377 88,1378 256.338,1379 95.012,1380 250.039,1381 339.93,1382 236,1383 96,1384 243.102,1385 102.875,1386 248.343,1387 351.86,1388 233,1389 5.1}
{0 CHEMBL1972276,1 1.498,2 11.852,3 2.797,4 7.824,5 108.521,6 6.915,7 0.552,8 4.049,9 4.197,10 3.543,11 3.535,12 5.121,13 3.509,14 4.577,15 4.787,16 3.871,17 3.897,18 5.628,19 3.843,20 4.809,21 5.06,22 3.911,23 4.009,24 5.777,25 3.933,26 4.847,27 5.093,28 3.877,29 4.027,30 5.857,31 3.929,32 4.902,33 5.187,34 3.755,35 3.985,36 5.82,37 3.849,38 4.787,39 5.082,40 3.603,41 3.86,42 5.644,43 3.728,44 4.622,45 4.9,46 3.581,47 3.767,48 5.564,49 3.656,50 4.523,51 4.768,52 3.527,53 3.712,54 5.512,55 3.613,56 0.051,57 0.823,58 11.957,59 4.261,60 9.514,61 6.426,62 0.235,63 1.253,64 21.557,65 6.953,66 30.209,67 10.795,68 0.329,69 1.44,70 28.271,71 8.342,72 37.501,73 13.245,74 0.348,75 1.472,76 29.218,77 8.938,78 45.41,79 14.067,80 0.392,81 1.42,82 31.637,83 9.95,84 47.837,85 15.56,86 0.333,87 1.265,88 28.421,89 8.314,90 41.339,91 13.415,92 0.296,93 1.121,94 23.713,95 7.227,96 38.099,97 11.506,98 0.196,99 1.058,100 21.02,101 6.381,102 29.933,103 10.098,104 31,105 39,106 0.25,107 0.593,108 0.75,109 0.837,110 0.843,111 0.843,112 3.339,113 0.966,114 -3.78,115 -3.74,116 -3.56,119 37.7,120 2,121 1,125 4,142 6,143 1,146 2,147 1,152 1,158 1,161 1,163 1,164 1,165 1,172 5,175 7,177 1,178 3,180 4,183 3,185 1,187 1,188 5,191 1,193 5,196 1,198 1,199 1,200 4,202 1,203 2,205 4,208 4,210 1,213 4,216 2,217 2,218 2,220 1,221 3,223 1,224 1,225 3,230 2,233 5,237 1,238 3,240 1,241 1,243 4,246 4,248 1,250 4,255 3,258 4,260 1,263 1,264 1,267 2,268 1,269 1,271 1,272 4,274 1,276 1208,277 18.447,278 18.447,279 18.447,280 18.447,281 18.447,282 16.513,283 18.827,284 10.989,285 18.84,286 14.198,287 14.198,288 14.198,289 14.198,290 14.198,291 11.208,292 26.405,293 5.042,294 14.784,295 4.229,296 2.17,297 1.227,298 0.708,299 0.67,300 0.67,301 4.022,304 1,305 1,306 1,307 671,308 3.873,311 57.388,312 169.274,315 113.501,319 2.016,320 23.085,322 1,323 1,324 1,325 0.83,326 0.8,327 0.5,328 1,329 1,330 0.88,331 58,332 320,333 4.623,334 3.546,335 6.694,336 4.151,337 3.182,338 4.567,339 0.98,340 10.846,341 3.091,342 4.174,343 3.048,344 6.143,345 3.768,346 2.802,347 3.786,348 0.8,349 9.047,350 2.7,351 3.808,352 2.788,353 5.561,354 3.401,355 2.458,356 3.247,357 0.4,358 7.192,359 2.34,360 3.526,361 2.739,362 5.281,363 3.355,364 2.414,365 2.855,367 6.648,368 2.245,369 3.441,370 2.38,371 5.261,372 3.133,373 2.159,374 2.445,376 6.53,377 2.089,378 3.021,379 1.801,380 4.372,381 2.548,382 1.579,383 2.263,385 4.035,386 1.528,387 2.888,388 1.638,389 4.247,390 2.425,391 1.448,392 1.98,394 3.656,395 1.412,396 2.776,397 1.478,398 3.745,399 2.342,400 1.344,401 1.88,403 3.027,404 1.33,405 2.5,406 1.277,407 3.591,408 2.227,409 1.245,410 1.5,412 2.853,413 1.22,414 2.452,415 1,416 3.465,417 1.95,418 1,419 1.449,421 2.467,422 0.948,423 1.939,424 0.744,425 3.151,426 1.591,427 0.618,428 0.64,430 1.138,431 0.6,432 1.618,433 0.715,434 2.912,435 1.477,436 0.529,437 0.618,439 1.073,440 0.5,441 1.601,442 0.587,443 2.618,444 1.386,445 0.433,446 0.557,448 0.791,449 0.41,450 0.989,451 0.1,452 2.547,453 0.831,454 -0.135,455 -0.141,457 -0.208,458 -0.13,459 0.939,460 -0.014,461 2.325,462 0.499,463 -0.487,464 -0.645,466 -1.168,467 -0.477,468 12.733,469 0.472,470 0.554,471 0.021,472 33.75,473 1.25,474 16,475 0.593,476 17.75,477 0.657,478 22.416,479 0.83,480 29.867,481 0.564,482 24.54,483 0.909,484 6.632,485 0.246,486 6.486,487 0.24,488 0.136,490 0.306,496 0.923,497 1.475,498 0.888,499 1.152,500 0.762,501 1.027,502 0.804,503 1.228,504 0.875,505 1.046,506 0.463,507 0.974,508 1.101,509 1.009,510 0.917,511 0.877,512 0.83,513 0.867,514 0.971,515 1.133,516 1.028,517 1.087,518 0.833,519 1.064,520 0.738,521 0.942,522 0.88,523 0.972,524 0.755,525 0.949,526 0.972,527 0.883,528 0.913,529 0.835,530 0.828,531 0.856,532 0.801,533 0.892,534 0.862,535 0.853,536 0.554,537 0.855,538 1.138,539 1.165,540 1.082,541 1.093,542 0.995,543 1.075,544 5,545 0.098,546 2.667,547 1.632,548 1.281,549 0.747,550 0.448,551 0.287,552 0.229,553 0.212,554 9068,555 21232,556 2.035,557 49.1,559 14,562 4,564 6,565 2,567 1.697,568 1.906,569 3.53,570 1.698,571 1,572 1,577 79.42,578 1.498,579 3.558,580 4.501,581 5.02,582 5.058,583 5.058,584 2.954,585 4.236,586 4.722,587 3.735,588 1311.08,589 8.18,590 17530.4,592 1,594 1,595 303.58,596 1.399,597 4.685,598 0.172,599 0.006,600 0.068,601 0.041,602 0.035,603 0.023,604 0.016,605 0.01,606 0.009,607 0.01,608 0.39,609 0.17,610 1,611 1.817,612 136.205,613 -0.084,614 -0.182,615 0.035,616 -0.034,617 -0.09,618 0.011,619 0.123,620 -0.075,621 0.084,622 -0.016,623 0.201,624 0.022,625 -0.054,626 0.041,627 0.072,628 0.094,629 0.039,630 0.1,631 0.028,632 -0.086,633 -0.051,634 -0.103,635 0.073,636 -0.089,637 0.154,638 -0.009,639 0.1,640 -0.001,641 0.1,642 0.035,643 -0.049,644 0.05,645 0.077,646 0.11,647 -0.038,648 0.112,649 0.077,650 0.088,651 0.116,652 0.116,653 0.14,654 0.125,655 -0.146,656 -0.119,657 -0.106,658 -0.104,659 -0.068,660 -0.097,661 2.157,662 4.592,663 0.556,664 29.416,665 0.996,666 1.139,667 2.55,668 6.503,669 0.643,670 3.401,671 3.689,672 3.951,673 4.19,674 4.382,675 4.477,676 4.635,677 4.727,678 4.771,679 4.844,680 7.153,681 0.606,682 366.52,683 3.401,684 4.92,685 5.759,686 6.624,687 7.486,688 8.362,689 9.236,690 10.119,691 11.002,692 11.891,693 11.3,696 1,698 1,700 1,701 1,703 2,708 2,709 6,710 2,711 1,714 4,716 16,722 1,728 1,735 53,737 17,738 1,739 29,741 55,742 20,743 12,744 3,745 3,746 1,748 3,749 4,754 2,760 1,762 13,763 7,767 1,772 1,776 1,780 1,783 26,784 6,785 4,786 7,789 1,792 6,797 0.667,798 1,809 1,815 1,816 2,819 1,839 1,843 2,847 2,851 27,852 1,858 5,860 1,864 1,874 1.9,877 1,881 14.167,882 9.85,883 6.194,884 3.465,886 3.336,887 1.453,888 0.981,889 6.43,890 10.707,891 3.664,892 4.245,893 4.859,894 5.49,895 6.046,896 6.433,897 6.925,898 7.347,899 7.645,900 8.019,901 0.875,902 40,903 9.964,905 4.108,906 7.691,907 19.166,909 15.266,911 2.191,912 59.167,915 1,916 258.964,917 105.056,918 104.389,920 25.145,923 105.056,924 284.109,925 104.389,926 17.65,927 43.855,928 56.857,929 83.759,930 27.996,931 4.472,932 258.964,934 258.964,935 209.445,936 25.145,939 164.795,940 119.314,943 88.644,944 69.22,945 51.582,947 258.964,948 129.534,949 105.056,952 258.964,953 30.548,954 77.632,955 34.796,956 91.613,957 258.964,958 129.534,959 105.056,961 0.567,962 0.337,963 0.177,964 0.089,965 17,966 8,967 0.164,968 9,969 1,970 1.133,971 3.924,972 218.39,973 0.133,974 15,975 124.382,981 19.336,982 8.979,983 4.649,984 1.333,985 112.748,986 11.105,987 9.169,988 3.216,991 2.546,993 67.693,994 493.554,995 38,1000 11.592,1004 -0.491,1007 52.774,1008 60.351,1009 0.262,1010 0.621,1011 0.786,1012 0.876,1013 0.883,1014 0.883,1015 4.875,1016 1.344,1017 5.727,1018 3.656,1019 4.369,1020 4.931,1021 1.435,1022 6.518,1023 4.292,1024 6.068,1025 1.245,1026 7.273,1027 3.027,1028 3.892,1029 4.732,1030 0.325,1031 7.405,1032 3.779,1033 7.368,1034 1,1035 8.921,1036 2.853,1037 5.938,1038 7.156,1039 1.211,1040 10.495,1041 5.783,1042 8.71,1043 0.618,1044 10.631,1045 2.467,1046 6.312,1047 7.849,1048 0.268,1049 12.237,1050 6.124,1051 10.087,1052 0.529,1053 12.381,1054 1.138,1055 7.799,1056 9.733,1057 1.114,1058 14.844,1059 7.578,1060 11.491,1061 0.433,1062 14.159,1063 1.073,1064 8.569,1065 10.851,1066 0.188,1067 16.941,1068 8.319,1069 12.916,1070 -0.135,1071 15.957,1072 0.791,1073 9.833,1074 12.513,1075 1.054,1076 19.388,1077 9.555,1078 3.182,1079 -0.487,1080 17.771,1081 -0.208,1082 10.794,1083 13.838,1084 0.125,1085 21.639,1086 10.49,1087 2.802,1088 10.846,1089 19.597,1090 -1.168,1091 11.971,1092 15.407,1093 1.007,1094 24.034,1095 11.64,1096 2.458,1097 9.047,1098 21.434,1099 4.567,1100 13.025,1101 16.83,1102 0.082,1103 26.353,1104 12.668,1105 2.414,1106 7.192,1107 23.279,1108 3.786,1109 14.171,1110 18.362,1111 0.969,1112 28.732,1113 13.789,1114 2.159,1115 6.648,1116 25.131,1117 3.247,1118 15.27,1119 19.832,1120 0.054,1121 31.081,1122 14.862,1123 1.579,1124 6.53,1125 26.989,1126 2.855,1127 16.409,1128 21.351,1129 0.935,1130 33.457,1131 15.975,1132 1.448,1133 4.035,1134 28.852,1135 2.445,1136 17.53,1137 22.844,1138 0.035,1139 35.821,1140 17.071,1141 9002,1142 14061,1143 19.186,1144 34.103,1145 42.667,1146 43.18,1147 44.291,1148 42.408,1149 42.424,1150 55.578,1151 4.36,1152 118.603,1153 40.829,1154 5.541,1155 5.546,1156 6.395,1157 5.213,1158 5.182,1159 7.567,1160 1.96,1161 17.909,1162 5.091,1163 14.117,1164 1.471,1165 1.489,1166 1.527,1167 1.462,1168 1.463,1169 1.916,1170 0.15,1171 4.09,1172 1.408,1173 4.131,1174 4.171,1175 4.104,1176 4.012,1177 7.437,1178 4.029,1179 3.862,1180 3.914,1181 3.803,1182 3.745,1183 5.092,1184 3.753,1185 3.753,1186 3.824,1187 3.618,1188 3.572,1189 4.882,1190 3.572,1191 3.5,1192 3.574,1193 3.416,1194 3.311,1195 4.798,1196 3.311,1197 3.432,1198 3.493,1199 3.283,1200 3.226,1201 4.34,1202 3.242,1203 3.306,1204 3.407,1205 3.155,1206 3.123,1207 4.282,1208 3.089,1209 3.256,1210 3.316,1211 3.04,1212 3.058,1213 4.088,1214 3.08,1215 3.021,1216 3.123,1217 2.837,1218 2.802,1219 3.892,1220 2.802,1221 0.159,1222 0.122,1223 0.231,1224 0.143,1225 0.11,1226 4.623,1227 0.157,1228 3.546,1229 0.034,1230 6.694,1231 0.374,1232 4.151,1233 0.107,1234 3.182,1235 4.567,1236 0.98,1237 10.846,1238 3.091,1239 1.93,1240 1.908,1241 2.008,1242 2.034,1243 1.274,1244 2.026,1245 1.857,1246 1.816,1247 1.994,1248 2.01,1249 1.125,1250 2.005,1251 1.726,1252 1.651,1253 1.932,1254 1.936,1255 1.053,1256 1.943,1257 1.495,1258 1.415,1259 1.784,1260 1.719,1261 0.958,1262 1.74,1263 1.355,1264 1.3,1265 1.725,1266 1.611,1267 0.869,1268 1.638,1269 1.351,1270 1.256,1271 1.485,1272 1.584,1273 0.548,1274 1.585,1275 1.135,1276 1.082,1277 1.355,1278 1.455,1279 0.465,1280 1.426,1281 0.992,1282 0.905,1283 1.309,1284 1.283,1285 0.207,1286 1.308,1287 4.078,1289 5.371,1290 2.398,1291 6.86,1292 4.727,1293 8.441,1294 6.862,1295 10.073,1297 4.359,1301 5.439,1303 5.13,1305 3.368,1309 2.399,1314 32.111,1315 79.42,1316 188.56,1317 238.56,1318 266.07,1319 268.07,1320 268.07,1321 46.187,1322 7.371,1323 99.93,1324 99.93,1325 17,1326 12.422,1327 4.17,1328 3.322,1329 47.243,1330 114,1331 119,1332 0.2,1333 201.78,1334 338.45,1335 484.103,1336 16056,1338 19.225,1339 0.712,1340 0.586,1341 19.225,1342 15.827,1343 13.118,1344 0.452,1345 0.322,1346 9.22,1347 12.634,1348 8.986,1349 7.513,1350 13.118,1351 9.342,1352 11.254,1353 0.289,1354 0.163,1355 11.254,1356 6.367,1357 9.424,1358 0.185,1359 0.091,1360 9.424,1361 4.622,1362 7.687,1363 0.118,1364 0.047,1365 7.687,1366 3.076,1367 5.89,1368 0.075,1369 0.023,1370 5.89,1371 1.854,1372 0.321,1373 81.864,1374 0.228,1375 26.333,1376 0.53,1377 136,1378 368.649,1379 149.316,1380 362.634,1381 502.62,1382 340,1383 158,1384 378.172,1385 171.401,1386 382.508,1387 560.89,1388 362,1389 5.1}
{0 CHEMBL1972290,1 1.611,2 8.4,3 1.793,4 3.213,5 82.243,6 8.464,7 0.727,8 3.65,9 3.786,10 3.321,11 3.204,12 4.8,13 3.192,14 4.126,15 4.297,16 3.687,17 3.581,18 5.259,19 3.543,20 4.329,21 4.556,22 3.664,23 3.66,24 5.347,25 3.585,26 4.261,27 4.472,28 3.659,29 3.623,30 5.295,31 3.543,32 4.261,33 4.475,34 3.59,35 3.585,36 5.304,37 3.479,38 4.205,39 4.429,40 3.603,41 3.471,42 5.292,43 3.369,44 4.04,45 4.263,46 3.36,47 3.264,48 5.181,49 3.14,50 3.837,51 4.091,52 2.825,53 2.988,54 4.798,55 2.833,56 0.058,57 0.549,58 5.915,59 2.512,60 8.078,61 3.282,62 0.182,63 0.83,64 11.376,65 4.325,66 17.928,67 5.808,68 0.222,69 0.923,70 17.414,71 5.732,72 23.752,73 7.881,74 0.195,75 0.856,76 15.343,77 5.346,78 19.283,79 7.321,80 0.186,81 0.818,82 17.496,83 5.767,84 22.17,85 7.749,86 0.276,87 0.731,88 19.315,89 5.232,90 25.447,91 6.988,92 0.292,93 0.592,94 18.109,95 4.52,96 30.018,97 6.035,98 0.163,99 0.48,100 14.026,101 3.746,102 19.034,103 5.118,104 8,105 30,106 0.295,107 0.687,108 0.835,109 0.9,110 0.9,111 0.9,112 3.059,113 0.913,114 -3.26,115 -3.25,116 -3.11,119 41.2,125 2,142 4,143 3,145 1,147 2,151 1,161 1,163 1,164 1,165 1,172 6,175 5,178 2,180 3,183 7,188 3,192 1,193 3,195 1,196 5,200 2,205 6,208 5,213 3,215 1,216 1,218 2,221 3,223 1,225 1,228 1,229 1,230 3,233 1,235 1,237 1,238 2,241 1,243 4,246 1,248 3,255 1,260 1,268 1,269 1,271 1,274 1,276 492,277 13.801,278 13.801,279 13.801,280 13.801,281 13.801,282 11.958,283 9.044,284 8.423,285 14.219,286 10.874,287 10.874,288 10.874,289 10.874,290 10.874,291 8.084,292 13.675,293 3.987,294 11.603,295 3.477,296 1.339,297 0.529,298 0.176,299 0.176,300 0.176,301 3.741,303 1,304 1,305 1,306 1,307 361,308 2.449,311 37.779,312 107.134,315 72.142,319 1.24,320 14.597,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 42.833,332 168,333 4.6,334 3.201,335 6.714,336 4.148,337 3.166,338 4.535,339 0.4,340 10.927,341 3.11,342 4.142,343 2.958,344 5.854,345 3.656,346 2.723,347 3.813,349 8.272,350 2.545,351 3.564,352 2.468,353 5.362,354 3.151,355 2.204,356 2.945,358 6.785,359 2.078,360 3.308,361 2.275,362 4.798,363 2.853,364 1.996,365 2.556,367 5.408,368 1.648,369 3.046,370 1.607,371 4.503,372 2.513,373 1.547,374 2.319,376 4.241,377 1.49,378 2.923,379 1.546,380 4.006,381 2.407,382 1.464,383 2.121,385 3.452,386 1.346,387 2.531,388 1.437,389 3.565,390 2.314,391 1.36,392 1.546,394 2.619,395 1.293,396 2.441,397 1.037,398 3.425,399 1.994,400 1.027,401 1.436,403 2.516,404 0.988,405 1.973,406 0.598,407 3.094,408 1.433,409 0.489,410 0.721,412 1.178,413 0.46,414 1.381,415 0.485,416 2.625,417 1.19,418 0.274,419 0.295,421 0.447,422 0.25,423 0.954,424 0.208,425 2.536,426 0.436,427 -0.391,428 -0.496,430 -0.984,431 -0.25,432 0.809,433 -0.427,434 2.132,435 0.402,436 -0.548,437 -0.697,439 -1.322,440 -0.519,441 0.665,442 -0.655,443 2,444 0.145,445 -0.786,446 -0.957,448 -1.78,449 -0.696,450 0.554,451 -0.842,452 2,453 0.074,454 -0.856,455 -1.261,457 -2.084,458 -0.82,459 0.136,460 -1.034,461 1.717,462 -0.173,463 -1.102,464 -1.464,466 -2.63,467 -1.01,468 9.714,469 0.486,470 0.397,471 0.02,472 28,473 1.4,474 14.5,475 0.725,476 13.5,477 0.675,478 13.121,479 0.656,480 20.886,481 0.614,482 17.757,483 0.888,484 5.605,485 0.28,486 4.17,487 0.209,488 0.115,490 0.309,496 0.986,497 1.264,498 0.617,499 0.823,500 1.013,501 0.785,502 0.762,503 1.06,504 0.682,505 0.905,506 0.721,507 0.894,508 0.958,509 0.925,510 0.796,511 0.809,512 0.88,513 0.832,514 0.874,515 1.021,516 0.784,517 0.915,518 0.792,519 0.937,520 1.011,521 1.107,522 1.102,523 1.114,524 0.889,525 1.096,526 1.214,527 1.014,528 1.34,529 1.093,530 1.263,531 1.037,532 1.192,533 1.004,534 1.621,535 1.341,536 1.134,537 1.238,538 1.33,539 1.105,540 1.463,541 1.265,542 1.309,543 1.235,544 3.5,545 0.021,546 1.778,547 1.382,548 0.921,549 0.472,550 0.455,551 0.162,552 0.084,553 0.05,554 3611,555 10788,556 2.107,557 41.2,559 8,560 1,561 1,562 4,567 1.621,568 2,569 3.055,570 1.977,572 1,574 1,577 54.758,578 1.611,579 3.749,580 4.558,581 4.911,582 4.911,583 4.911,584 2.504,585 4.122,586 4.29,587 3.148,588 598.064,589 7.348,590 5995.65,591 1,592 1,594 1,595 172.974,596 1.295,597 4.266,598 0.159,599 0.007,600 0.059,601 0.048,602 0.034,603 0.02,604 0.021,605 0.01,606 0.008,607 0.008,608 0.374,609 0.33,610 1,611 1.197,612 87.606,613 -0.18,614 -0.067,615 -0.003,616 0.064,617 -0.213,618 0.067,619 0.088,620 0.064,621 0.028,622 0.004,623 0.06,624 -0.004,625 -0.079,626 0.078,627 0.043,628 0.142,629 -0.048,630 0.128,631 -0.027,632 -0.009,633 0.054,634 0.045,635 -0.03,636 0.022,637 -0.068,638 -0.144,639 -0.069,640 -0.111,641 -0.006,642 -0.113,643 0.01,644 -0.067,645 -0.047,646 -0.078,647 -0.098,648 -0.064,649 0.106,650 -0.084,651 -0.197,652 -0.302,653 0.131,654 -0.254,655 -0.236,656 -0.225,657 -0.26,658 -0.25,659 -0.184,660 -0.225,661 1.222,662 1.978,663 0.75,664 13.88,665 1.007,666 1.133,667 2.027,668 4.107,669 0.697,670 3.135,671 3.434,672 3.714,673 4.025,674 4.22,675 4.29,676 4.394,677 4.477,678 4.394,679 4.369,680 4.898,681 0.664,682 287.78,683 3.135,684 4.654,685 5.501,686 6.382,687 7.253,688 8.145,689 9.027,690 9.923,691 10.81,692 11.708,693 14.7,694 1,698 1,701 1,703 2,708 2,709 6,710 2,711 1,714 4,716 16,728 1,734 1,735 34,737 16,739 22,741 36,742 14,743 12,748 3,749 4,750 1,754 1,762 12,763 2,779 1,780 1,783 14,784 4,785 4,786 6,787 1,792 5,797 0.667,809 2,811 1,815 1,816 2,819 1,836 1,843 2,848 1,851 20,852 1,858 2,860 1,873 1,881 10,882 5.876,883 4.5,884 1.912,886 3.207,887 1.476,888 1.031,889 3.759,890 9.951,891 3.434,892 4.073,893 4.726,894 5.396,895 5.934,896 6.289,897 6.732,898 7.172,899 7.348,900 7.695,901 0.833,902 29,903 7.313,905 3.05,906 7.706,907 13.936,909 11.237,911 2.206,912 44.111,913 0.001,916 117.711,917 76.27,918 101.265,919 39.149,923 76.27,924 156.86,925 101.265,927 37.109,928 46.952,929 65.068,930 34.777,931 56.319,932 94.169,934 117.711,935 177.535,937 39.149,939 117.711,943 64.657,944 61.296,945 51.582,946 39.149,947 117.711,948 101.265,949 115.419,952 117.711,953 20.271,954 56,955 34.796,956 105.617,957 117.711,958 101.265,959 115.419,961 0.565,962 0.328,963 0.192,964 0.108,965 15,966 6,967 0.111,968 4,969 1,970 1.133,971 3.258,972 151.418,973 0.133,974 15,975 86.439,981 13.215,982 5.689,983 2.741,984 1.909,985 84.479,986 11.417,987 8.52,988 3.154,991 3.202,993 67.693,994 334.395,995 30,1007 34.251,1008 38.512,1009 0.317,1010 0.737,1011 0.896,1012 0.965,1013 0.965,1014 0.965,1015 4.635,1016 1.027,1017 5.468,1018 2.619,1019 4.111,1020 4.758,1021 0.278,1022 6.275,1023 3.997,1024 5.846,1025 0.489,1026 7.013,1027 2.516,1028 3.611,1029 4.559,1031 7.154,1032 3.43,1033 7.155,1034 0.274,1035 8.662,1036 1.178,1037 5.68,1038 7.042,1039 0.05,1040 10.294,1041 5.494,1042 8.508,1043 -0.391,1044 10.376,1045 0.447,1046 6.043,1047 7.73,1049 12.058,1050 5.833,1051 9.896,1052 -0.548,1053 12.132,1054 -0.984,1055 7.557,1056 9.648,1057 0.008,1058 14.7,1059 7.332,1060 11.311,1061 -0.786,1062 13.918,1063 -1.322,1064 8.336,1065 10.763,1067 16.829,1068 8.105,1069 12.747,1070 -0.856,1071 15.728,1072 -1.78,1073 9.62,1074 12.44,1075 0.001,1076 19.303,1077 9.371,1078 3.166,1079 -1.102,1080 17.554,1081 -2.084,1082 10.597,1083 13.761,1085 21.583,1086 10.343,1087 2.723,1088 10.927,1089 19.394,1090 -2.63,1091 11.787,1092 15.334,1094 24,1095 11.518,1096 2.204,1097 8.272,1098 21.245,1099 4.535,1100 12.854,1101 16.752,1103 26.343,1104 12.578,1105 1.996,1106 6.785,1107 23.105,1108 3.813,1109 14.01,1110 18.283,1112 28.741,1113 13.72,1114 1.547,1115 5.408,1116 24.972,1117 2.945,1118 15.118,1119 19.746,1121 31.11,1122 14.818,1123 1.464,1124 4.241,1125 26.844,1126 2.556,1127 16.263,1128 21.26,1130 33.502,1131 15.95,1132 1.36,1133 3.452,1134 28.722,1135 2.319,1136 17.39,1137 22.746,1139 35.882,1140 17.066,1141 3567,1142 6260,1143 14.909,1144 23.693,1145 32.548,1146 32.879,1147 33.551,1148 32.679,1149 32.501,1150 44.574,1151 0.8,1152 91.688,1153 30.416,1154 5.393,1155 5.201,1156 6.576,1157 5.19,1158 5.166,1159 7.535,1160 0.8,1161 18.107,1162 5.055,1163 7.825,1164 1.479,1165 1.495,1166 1.525,1167 1.485,1168 1.477,1169 2.026,1170 0.036,1171 4.168,1172 1.383,1173 4.128,1174 4.165,1175 4.116,1176 4.03,1177 5.106,1178 4.041,1179 3.831,1180 3.879,1181 3.919,1182 3.703,1183 5.012,1184 3.715,1185 3.548,1186 3.633,1187 3.465,1188 3.344,1189 4.98,1190 3.343,1191 3.36,1192 3.425,1193 3.333,1194 3.208,1195 4.413,1196 3.211,1197 3.009,1198 3.115,1199 3.176,1200 2.816,1201 4.325,1202 2.805,1203 2.888,1204 2.945,1205 2.852,1206 2.682,1207 3.977,1208 2.711,1209 2.703,1210 2.785,1211 2.636,1212 2.487,1213 3.807,1214 2.492,1215 2.546,1216 2.643,1217 2.348,1218 2.282,1219 3.568,1220 2.28,1221 0.209,1222 0.145,1223 0.305,1224 0.189,1225 0.144,1226 4.6,1227 0.206,1228 3.201,1229 0.018,1230 6.714,1231 0.497,1232 4.148,1233 0.141,1234 3.166,1235 4.535,1236 0.4,1237 10.927,1238 3.11,1239 1.929,1240 1.907,1241 1.995,1242 2.026,1243 1.138,1244 2.02,1245 1.784,1246 1.743,1247 1.887,1248 1.954,1249 1.03,1250 1.938,1251 1.536,1252 1.453,1253 1.78,1254 1.781,1255 0.887,1256 1.79,1257 1.371,1258 1.305,1259 1.525,1260 1.604,1261 0.531,1262 1.593,1263 1.011,1264 0.958,1265 1.242,1266 1.278,1267 0.286,1268 1.279,1269 0.928,1270 0.86,1271 1.145,1272 1.129,1273 0.22,1274 1.143,1275 0.674,1276 0.578,1277 0.994,1278 0.918,1279 0.064,1280 0.96,1281 0.571,1282 0.477,1283 0.873,1284 0.841,1286 0.858,1287 3.807,1289 5.106,1290 2.398,1291 6.608,1292 4.727,1293 8.21,1294 6.843,1295 9.866,1298 6.089,1301 5.485,1303 1.197,1305 3.139,1314 22.569,1315 54.758,1316 127.464,1317 154.974,1318 166.974,1319 166.974,1320 166.974,1321 22.824,1322 6.744,1323 79.62,1324 79.62,1325 17,1326 12.234,1327 4.087,1328 3.17,1329 29.855,1330 57,1331 70,1332 0.26,1333 144.696,1334 232.71,1335 344.817,1336 6659,1337 2.9,1338 13.949,1339 0.697,1340 0.574,1341 14.449,1342 11.484,1343 9.775,1344 0.444,1345 0.304,1346 6.264,1347 9.166,1348 6.129,1349 5.08,1350 10.064,1351 6.695,1352 8.53,1353 0.284,1354 0.159,1355 8.938,1356 4.768,1357 7.037,1358 0.176,1359 0.08,1360 7.273,1361 3.2,1362 6.245,1363 0.114,1364 0.043,1365 6.563,1366 2.347,1367 4.949,1368 0.074,1369 0.023,1370 5.191,1371 1.515,1372 0.395,1373 63.951,1374 0.259,1375 19.683,1376 0.751,1377 104,1378 289.472,1379 128.19,1380 318.236,1381 434.2,1382 298,1383 122,1384 305.229,1385 139.613,1386 320.627,1387 470.23,1388 303,1389 7}
{0 CHEMBL1972339,1 1.497,2 9.345,3 5.485,4 30.081,5 113.719,6 8.159,7 0.818,8 3.978,9 4.096,10 3.638,11 3.593,12 5.158,13 3.579,14 4.461,15 4.611,16 4.002,17 3.98,18 5.596,19 3.956,20 4.669,21 4.854,22 4.017,23 4.066,24 5.776,25 4.017,26 4.753,27 4.977,28 3.971,29 4.034,30 5.789,31 3.978,32 4.677,33 4.893,34 3.985,35 4.022,36 5.71,37 3.977,38 4.686,39 4.884,40 4.018,41 4.073,42 5.774,43 4.017,44 4.726,45 4.935,46 4.019,47 4.083,48 5.877,49 4.014,50 4.698,51 4.911,52 3.831,53 4.034,54 5.766,55 3.939,56 0.093,57 0.79,58 7.785,59 3.949,60 8.173,61 4.82,62 0.092,63 1.253,64 14.102,65 6.504,66 13.168,67 8.125,68 0.17,69 1.516,70 19.513,71 8.217,72 29.916,73 10.274,74 0.284,75 1.59,76 23.505,77 8.367,78 37.369,79 10.823,80 0.234,81 1.456,82 21.101,83 7.57,84 26.286,85 9.978,86 0.286,87 1.514,88 20.34,89 8.104,90 27.27,91 10.582,92 0.384,93 1.611,94 22.222,95 9.17,96 43.312,97 12.072,98 0.215,99 1.498,100 21.974,101 9.341,102 34.342,103 11.908,104 5,105 47,106 0.249,107 0.571,108 0.7,109 0.824,110 0.843,111 0.843,112 3.409,113 0.852,114 -5.92,115 -5.77,116 -5.38,119 48.9,120 1,125 1,142 12,143 4,144 1,146 2,152 2,166 2,168 1,172 14,174 1,175 5,180 2,183 15,188 14,193 2,196 9,200 18,205 2,208 7,213 13,221 14,224 1,225 4,228 1,233 20,237 2,238 4,241 2,243 1,246 22,250 2,255 2,258 17,264 3,269 3,272 11,276 1485,277 20.016,278 20.016,279 20.016,280 20.016,281 20.016,282 16.811,283 12.434,284 11.758,285 20.248,286 16.313,287 16.313,288 16.313,289 16.313,290 16.313,291 11.606,292 15.69,293 5.621,294 16.71,295 4.058,296 2.12,297 1.346,298 0.601,299 0.484,300 0.484,301 4.121,305 1,306 1,307 605,308 2.449,311 142.99,312 247.151,315 114.66,319 1.529,320 20.866,323 0.75,324 0.83,325 1,326 0.6,328 1,329 1,330 0.74,331 62,332 271,333 4.633,334 3.298,335 6.914,336 4.231,337 3.257,338 4.529,339 0.522,340 11.648,341 3.174,342 4.483,343 3.098,344 6.495,345 4.016,346 3.037,347 4.264,349 10.117,350 2.97,351 3.939,352 2.891,353 5.848,354 3.544,355 2.555,356 3.524,358 8.039,359 2.528,360 3.911,361 2.738,362 5.481,363 3.5,364 2.526,365 3.449,367 7.278,368 2.461,369 3.649,370 2.396,371 5.159,372 3.221,373 2.256,374 3.085,376 6.31,377 2.167,378 3.313,379 2.079,380 4.952,381 2.891,382 1.928,383 2.641,385 5.495,386 1.84,387 3.292,388 1.989,389 4.886,390 2.838,391 1.869,392 2.592,394 5.411,395 1.809,396 2.937,397 1.565,398 4.444,399 2.479,400 1.493,401 2.121,403 4.059,404 1.472,405 2.78,406 1.353,407 4.031,408 2.293,409 1.317,410 1.906,412 3.181,413 1.283,414 2.604,415 1.186,416 3.758,417 2.115,418 1.139,419 1.651,421 2.953,422 1.11,423 2.5,424 1,425 3.583,426 2,427 1,428 1.5,430 2.339,431 1,432 2.5,433 1,434 3.414,435 2,436 1,437 1.5,439 2.275,440 1,441 2.364,442 0.965,443 3.247,444 1.871,445 0.896,446 1.302,448 2.136,449 0.87,450 2.111,451 0.735,452 3.228,453 1.649,454 0.662,455 0.943,457 1.571,458 0.652,459 1.332,460 0.363,461 2.922,462 1.028,463 0.062,464 0.076,466 0.16,467 0.059,468 13.786,469 0.475,470 0.657,471 0.023,472 42,473 1.448,474 24,475 0.828,476 18,477 0.621,478 21.023,479 0.725,480 28.814,481 0.613,482 31.481,483 1.086,484 8.579,485 0.296,486 5.608,487 0.193,488 0.057,490 0.355,494 1,496 0.503,497 0.827,498 0.668,499 0.857,500 0.529,501 0.809,502 0.705,503 1.063,504 0.758,505 0.98,506 0.584,507 0.899,508 1.012,509 1.154,510 1.003,511 1.095,512 0.937,513 1.057,514 1.078,515 1.022,516 1.055,517 0.956,518 0.837,519 0.976,520 0.85,521 0.886,522 0.912,523 0.831,524 0.484,525 0.85,526 0.691,527 0.853,528 0.938,529 0.951,530 0.617,531 0.972,532 0.628,533 0.805,534 0.892,535 0.972,536 0.746,537 0.984,538 1.012,539 1.008,540 1.126,541 1.117,542 1.06,543 1.142,544 5,545 0.177,546 3.333,547 1.917,548 1.522,549 0.889,550 0.709,551 0.523,552 0.294,553 0.245,554 10645,555 28751,556 2.193,557 38.3,559 14,562 1,563 3,567 1.727,568 2.096,569 3.228,570 -0.371,577 70.355,578 1.497,579 3.434,580 4.208,581 4.953,582 5.07,583 5.07,584 2.705,585 4.487,586 4.827,587 3.416,588 1386.99,589 8.452,590 18409,595 261.066,596 1.247,597 4.809,598 0.152,599 0.009,600 0.071,601 0.042,602 0.035,603 0.02,604 0.015,605 0.012,606 0.008,607 0.008,608 0.372,609 0.33,610 0.75,611 0.434,612 144.717,613 0.146,614 0.145,615 0.061,616 0.052,617 -0.012,618 0.036,619 0.008,620 -0.11,621 0.047,622 -0.05,623 0.022,624 -0.008,625 -0.104,626 -0.164,627 -0.106,628 -0.142,629 -0.057,630 -0.129,631 -0.16,632 -0.079,633 -0.086,634 -0.029,635 -0.09,636 -0.037,637 -0.121,638 -0.008,639 0.015,640 0.081,641 -0.009,642 0.081,643 0.058,644 0.056,645 -0.038,646 -0.017,647 -0.006,648 -0.039,649 0.25,650 0.148,651 0.054,652 0.006,653 0.129,654 -0.008,655 -0.102,656 -0.045,657 -0.165,658 -0.106,659 -0.064,660 -0.136,661 1.937,662 5.534,663 0.897,664 26.904,665 1.004,666 1.122,667 4.689,668 21.982,669 0.708,670 3.526,671 3.871,672 4.19,673 4.5,674 4.736,675 4.852,676 5.069,677 5.268,678 5.371,679 5.46,680 6.06,681 0.685,682 383.46,683 3.526,684 5.081,685 5.953,686 6.847,687 7.738,688 8.639,689 9.539,690 10.445,691 11.351,692 12.26,693 10.6,701 2,703 3,708 2,709 12,710 3,711 1,714 7,715 1,716 27,734 1,735 47,737 27,738 3,739 33,741 51,742 23,743 21,744 6,745 12,748 5,749 6,754 1,762 21,763 2,781 1,783 18,784 4,785 1,786 6,792 5,797 0.8,807 1,815 2,816 3,819 1,843 4,847 1,849 1,851 29,858 1,871 1,873 1,881 13.833,882 8.943,883 6.25,884 2.777,886 4.149,887 1.525,888 1.06,889 4.363,890 12.052,891 3.861,892 4.538,893 5.198,894 5.849,895 6.385,896 6.755,897 7.287,898 7.811,899 8.197,900 8.604,901 1,902 46,903 10.674,905 4.621,906 7.707,907 20.405,909 17.047,911 2.207,912 64,916 200.109,917 156.311,918 68.306,921 14.96,923 156.311,924 200.109,925 83.266,926 8.825,927 2.106,928 113.715,929 49.867,930 44.591,931 20.474,932 200.109,934 200.109,935 224.617,936 14.96,939 215.069,943 34.271,944 140.479,945 49.867,947 215.069,948 68.306,949 156.311,952 200.109,953 33.771,954 124.317,955 16.663,956 64.827,957 200.109,958 83.266,959 156.311,961 0.585,962 0.346,963 0.192,964 0.106,965 25,966 10,967 0.078,968 4,969 1,970 1.077,971 4.059,972 273.288,973 0.077,974 26,975 132.881,981 17.631,982 7.176,983 3.294,984 1.955,985 64.827,986 22.573,987 13.214,988 3.013,991 5.277,992 1.865,993 16.663,994 439.686,995 46.5,1007 47.207,1008 52.738,1009 0.269,1010 0.618,1011 0.758,1012 0.892,1013 0.913,1014 0.913,1015 5.086,1016 1.493,1017 5.938,1018 5.411,1019 4.554,1020 5.226,1021 0.434,1022 6.772,1023 4.507,1024 6.317,1025 1.317,1026 7.505,1027 4.059,1028 4.111,1029 5.007,1031 7.714,1032 4.019,1033 7.636,1034 1.139,1035 9.174,1036 3.181,1037 6.163,1038 7.507,1039 0.138,1040 10.854,1041 6.071,1042 8.995,1043 1,1044 10.905,1045 2.953,1046 6.581,1047 8.167,1049 12.683,1050 6.445,1051 10.388,1052 1,1053 12.679,1054 2.339,1055 8.077,1056 10.083,1057 0.039,1058 15.337,1059 7.938,1060 11.805,1061 0.896,1062 14.483,1063 2.275,1064 8.891,1065 11.165,1067 17.526,1068 8.713,1069 13.242,1070 0.662,1071 16.309,1072 2.136,1073 10.171,1074 12.836,1075 0.011,1076 20.026,1077 9.982,1078 3.257,1079 0.062,1080 18.153,1081 1.571,1082 11.17,1083 14.127,1085 22.362,1086 10.947,1087 3.037,1088 11.648,1089 20.01,1090 0.16,1091 12.366,1092 15.691,1093 0.003,1094 24.814,1095 12.126,1096 2.555,1097 10.117,1098 21.879,1099 4.529,1100 13.452,1101 17.086,1103 27.21,1104 13.18,1105 2.526,1106 8.039,1107 23.756,1108 4.264,1109 14.619,1110 18.605,1111 0.001,1112 29.65,1113 14.326,1114 2.256,1115 7.278,1116 25.641,1117 3.524,1118 15.744,1119 20.05,1121 32.071,1122 15.423,1123 1.928,1124 6.31,1125 27.533,1126 3.449,1127 16.904,1128 21.552,1130 34.511,1131 16.559,1132 1.869,1133 5.495,1134 29.429,1135 3.085,1136 18.049,1137 23.022,1139 36.944,1140 17.676,1141 9832,1142 16311,1143 22.77,1144 33.296,1145 50.581,1146 50.409,1147 51.27,1148 50.082,1149 49.993,1150 70.164,1151 1.043,1152 145.942,1153 48.785,1154 5.41,1155 5.298,1156 6.716,1157 5.257,1158 5.257,1159 7.529,1160 1.043,1161 18.912,1162 5.174,1163 10.064,1164 1.533,1165 1.528,1166 1.554,1167 1.518,1168 1.515,1169 2.126,1170 0.032,1171 4.422,1172 1.478,1173 4.143,1174 4.183,1175 4.113,1176 4.042,1177 8.201,1178 4.054,1179 3.994,1180 4.039,1181 3.956,1182 3.889,1183 5.133,1184 3.896,1185 3.876,1186 3.906,1187 3.81,1188 3.819,1189 5.021,1190 3.813,1191 3.702,1192 3.758,1193 3.664,1194 3.517,1195 4.736,1196 3.548,1197 3.401,1198 3.469,1199 3.303,1200 3.232,1201 4.585,1202 3.239,1203 3.092,1204 3.165,1205 2.956,1206 2.962,1207 4.323,1208 2.952,1209 2.96,1210 3.052,1211 2.845,1212 2.775,1213 3.899,1214 2.783,1215 2.854,1216 2.925,1217 2.765,1218 2.735,1219 3.793,1220 2.715,1221 0.14,1222 0.1,1223 0.21,1224 0.128,1225 0.099,1226 4.633,1227 0.137,1228 3.298,1229 0.016,1230 6.914,1231 0.353,1232 4.231,1233 0.096,1234 3.257,1235 4.529,1236 0.522,1237 11.648,1238 3.174,1239 1.976,1240 1.955,1241 2.06,1242 2.053,1243 1.222,1244 2.056,1245 1.914,1246 1.886,1247 2.026,1248 1.998,1249 1.159,1250 2.008,1251 1.868,1252 1.844,1253 1.969,1254 1.949,1255 1.068,1256 1.957,1257 1.505,1258 1.437,1259 1.721,1260 1.772,1261 0.785,1262 1.751,1263 1.404,1264 1.346,1265 1.563,1266 1.648,1267 0.722,1268 1.619,1269 1.211,1270 1.154,1271 1.31,1272 1.429,1273 0.433,1274 1.394,1275 0.907,1276 0.847,1277 1.181,1278 1.194,1279 0.232,1280 1.197,1281 0.886,1282 0.821,1283 1.181,1284 1.086,1285 0.218,1286 1.107,1287 4.205,1289 5.541,1290 3.045,1291 7.071,1292 5.416,1293 8.686,1294 7.516,1295 10.348,1297 1.992,1299 13.534,1303 0.577,1314 32.178,1315 70.355,1316 161.417,1317 197.781,1318 232.801,1319 238.311,1320 238.311,1321 39.629,1322 7.903,1323 59.39,1324 59.39,1325 28,1326 12.777,1327 4.807,1328 3.858,1329 39.251,1330 99,1331 111,1332 0.184,1333 194.468,1334 319.55,1335 466.262,1336 27862,1337 2.1,1338 19.794,1339 0.683,1340 0.545,1341 18.924,1342 15.802,1343 14.187,1344 0.43,1345 0.284,1346 9.266,1347 13.716,1348 9.039,1349 7.503,1350 13.793,1351 9.373,1352 12.89,1353 0.274,1354 0.149,1355 12.268,1356 7.017,1357 11.293,1358 0.174,1359 0.078,1360 10.882,1361 5.046,1362 9.66,1363 0.109,1364 0.04,1365 9.508,1366 3.554,1367 7.984,1368 0.071,1369 0.022,1370 7.749,1371 2.435,1372 0.28,1373 88.377,1374 0.21,1375 27.067,1376 0.532,1377 160,1378 477.024,1379 173.184,1380 449.857,1381 628.01,1382 422,1383 192,1384 484.596,1385 206.539,1386 486.912,1387 709.97,1388 459,1389 6.3}
{0 CHEMBL1972346,1 1.429,2 8.111,3 2.747,4 7.544,5 68.289,6 8.142,7 0.632,8 3.522,9 3.593,10 3.111,11 3.071,12 4.881,13 3.078,14 3.881,15 3.967,16 3.445,17 3.409,18 5.251,19 3.401,20 4.188,21 4.318,22 3.454,23 3.484,24 5.603,25 3.447,26 4.192,27 4.398,28 3.22,29 3.316,30 5.512,31 3.24,32 3.972,33 4.175,34 2.939,35 3.13,36 5.176,37 3.048,38 3.792,39 3.991,40 2.901,41 3.04,42 4.952,43 2.968,44 3.729,45 3.915,46 2.984,47 2.964,48 5.021,49 2.932,50 3.687,51 3.827,52 2.869,53 2.761,54 5.131,55 2.773,56 0.14,57 0.352,58 5.483,59 2.864,60 24.133,61 2.875,62 0.089,63 0.523,64 7.378,65 4.341,66 12.666,67 4.806,68 0.355,69 0.679,70 12.444,71 5.623,72 57.084,73 6.261,74 0.392,75 0.677,76 14.984,77 5.755,78 61.933,79 7.228,80 0.314,81 0.54,82 12.149,83 4.566,84 51.098,85 5.508,86 0.207,87 0.46,88 9.668,89 3.92,90 34.209,91 4.865,92 0.151,93 0.429,94 8.736,95 3.634,96 22.64,97 4.499,98 0.239,99 0.383,100 8.359,101 3.096,102 39.124,103 3.189,104 17,105 26,106 0.272,107 0.506,108 0.641,109 0.778,110 0.846,111 0.871,112 2.959,113 0.833,114 -3.09,115 -3.09,116 -2.97,119 46.7,135 2,142 6,143 2,144 4,172 8,180 6,183 11,192 1,193 6,196 8,204 1,205 7,208 6,218 4,221 6,230 4,233 3,243 7,246 2,255 4,258 1,268 2,269 1,276 336,277 11.671,278 11.671,279 11.671,280 11.671,281 11.671,282 9.935,283 7.232,284 6.867,285 11.819,286 9.367,287 9.367,288 9.367,289 9.367,290 9.367,291 6.8,292 5.133,293 3.3,294 9.665,295 3.477,296 2.25,297 1.542,298 0.825,299 0.467,300 0.333,301 3.611,305 1,306 1,307 301,308 2.236,312 122.659,319 1.235,320 26.185,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 40,332 146,333 4.24,334 3.041,335 5.951,336 3.811,337 2.84,338 3.906,340 8.331,341 2.761,342 4.162,343 2.917,344 5.666,345 3.731,346 2.759,347 3.817,349 7.92,350 2.676,351 3.624,352 2.348,353 5.212,354 3.215,355 2.241,356 2.973,358 6.438,359 2.172,360 3.307,361 2.232,362 4.841,363 2.925,364 1.947,365 2.577,367 5.535,368 1.896,369 3.232,370 2.051,371 4.618,372 2.816,373 1.879,374 2.481,376 4.963,377 1.749,378 2.82,379 1.715,380 4.042,381 2.372,382 1.414,383 1.949,385 3.525,386 1.346,387 2.395,388 0.789,389 3.257,390 1.703,391 0.713,392 1.119,394 1.69,395 0.704,396 1.395,397 0.409,398 2.626,399 1.029,400 0.104,401 0.128,403 0.228,404 0.095,405 1,406 -0.047,407 2.382,408 0.588,409 -0.347,410 -0.445,412 -0.891,413 -0.32,414 0.935,415 -0.07,416 2.375,417 0.546,418 -0.411,419 -0.517,421 -1.088,422 -0.387,423 0.751,424 -0.304,425 2.161,426 0.333,427 -0.598,428 -0.711,430 -1.494,431 -0.546,432 0.314,433 -0.639,434 1.802,435 0.064,436 -0.865,437 -1.062,439 -2.215,440 -0.801,441 0.076,442 -1.054,443 1.281,444 -0.286,445 -1.227,446 -1.642,448 -3.11,449 -1.156,450 -0.171,451 -1.194,452 1.251,453 -0.506,454 -1.414,455 -1.847,457 -4.021,458 -1.301,459 -0.232,460 -1.325,461 1.127,462 -0.589,463 -1.532,464 -2.036,466 -4.072,467 -1.428,468 8.333,469 0.463,470 0.544,471 0.03,472 26,473 1.444,474 15.5,475 0.861,476 10.5,477 0.583,478 9.46,479 0.526,480 19.267,481 0.642,482 17.777,483 0.988,484 5.438,485 0.302,486 3.104,487 0.172,488 0.16,490 0.36,496 1.075,497 0.753,498 0.846,499 0.738,500 1.127,501 0.729,502 0.638,503 1.183,504 0.753,505 1.168,506 0.599,507 1.031,508 0.947,509 1.189,510 1.119,511 1.2,512 0.972,513 1.207,514 0.786,515 1.031,516 0.956,517 1.041,518 0.773,519 1.046,520 1.047,521 0.875,522 1.109,523 0.893,524 1.034,525 0.992,526 0.795,527 0.902,528 0.916,529 0.914,530 0.828,531 0.942,532 0.753,533 1.069,534 0.731,535 1.048,536 0.709,537 0.919,538 1.587,539 1.243,540 1.242,541 1.213,542 1.586,543 1.147,544 5,545 0.012,546 1.778,547 1.25,548 1.067,549 0.236,550 0.286,551 0.236,552 0.177,553 0.117,554 2783,555 10056,556 1.963,557 40,559 8,562 4,567 1.582,568 1.8,569 3.039,570 1.996,572 1,573 1,574 1,577 42.884,578 1.429,579 2.657,580 3.365,581 4.082,582 4.44,583 4.574,584 2.461,585 3.308,586 4.147,587 3.172,588 485.377,589 7.011,590 4711.18,591 1,592 1,594 1,595 147.207,596 1.53,597 4.076,598 0.263,599 0.004,600 0.068,601 0.052,602 0.059,603 0.017,604 0.02,605 0.016,606 0.015,607 0.015,608 0.529,609 0.5,610 1,611 0.714,612 77.35,613 -0.217,614 0.279,615 -0.09,616 0.269,617 -0.278,618 0.157,619 -0.015,620 -0.162,621 -0.024,622 -0.155,623 0.027,624 -0.106,625 -0.036,626 -0.208,627 -0.242,628 -0.228,629 -0.067,630 -0.28,631 0.065,632 -0.08,633 0.049,634 -0.074,635 0.084,636 -0.029,637 -0.157,638 0.082,639 -0.106,640 0.076,641 -0.139,642 0.016,643 -0.055,644 0.065,645 0.041,646 0.072,647 -0.085,648 0.082,649 0.025,650 -0.105,651 0.225,652 -0.069,653 0.078,654 0.092,655 -0.275,656 -0.294,657 -0.23,658 -0.286,659 -0.282,660 -0.254,661 1.865,662 3.322,663 0.667,664 11.111,665 1.02,666 1.111,667 1.862,668 3.468,669 0.68,670 2.996,671 3.296,672 3.434,673 3.611,674 3.738,675 3.638,676 3.497,677 3.526,678 3.664,679 3.611,680 5.069,681 0.667,682 244.26,683 2.996,684 4.511,685 5.313,686 6.163,687 6.978,688 7.828,689 8.647,690 9.495,691 10.316,692 11.163,709 6,714 6,716 12,732 4,735 30,737 13,738 2,739 19,741 31,742 14,743 12,744 6,745 6,746 2,748 2,749 2,762 14,767 1,774 2,780 1,783 12,784 4,785 4,786 4,797 1,798 4,816 2,834 2,843 2,851 18,857 4,874 13.3,876 4,881 10,882 4.967,883 3.944,884 1.485,886 2.801,887 1.465,888 0.86,889 3.551,890 8.824,891 3.296,892 3.912,893 4.431,894 4.951,895 5.464,896 5.564,897 5.755,898 6.079,899 6.579,900 6.88,901 1,902 24,903 6.593,905 2.811,906 8.278,907 11.937,909 9.438,911 2.778,912 50,916 94.169,917 82.181,920 170.733,923 82.181,924 264.902,928 75.81,929 170.733,930 6.371,932 94.169,934 94.169,935 82.181,936 170.733,939 94.169,940 170.733,944 63.229,945 18.952,947 94.169,948 170.733,949 82.181,952 94.169,953 6.371,954 75.81,956 170.733,957 94.169,958 170.733,959 82.181,961 0.585,962 0.32,963 0.159,964 0.082,965 12,966 6,967 0.065,968 2,970 1,971 3.045,972 119.341,974 12,975 69.059,981 12.482,982 5.121,983 3.263,985 170.733,986 8.661,991 0.887,993 170.733,994 347.083,995 26,1002 3.36,1007 30.611,1008 33.329,1009 0.291,1010 0.541,1011 0.686,1012 0.832,1013 0.905,1014 0.932,1015 4.5,1016 0.104,1017 5.303,1018 1.69,1019 3.97,1020 4.595,1022 6.033,1023 3.908,1024 5.728,1025 -0.347,1026 6.821,1027 0.228,1028 3.611,1029 4.407,1031 6.72,1032 3.472,1033 7.028,1034 -0.411,1035 8.425,1036 -0.891,1037 5.501,1038 6.787,1040 9.723,1041 5.39,1042 8.356,1043 -0.598,1044 10.074,1045 -1.088,1046 5.832,1047 7.296,1049 11.104,1050 5.638,1051 9.706,1052 -0.865,1053 11.748,1054 -1.494,1055 7.259,1056 9.2,1058 13.637,1059 7.096,1060 11.072,1061 -1.227,1062 13.44,1063 -2.215,1064 7.928,1065 10.067,1067 15.352,1068 7.689,1069 12.451,1070 -1.414,1071 15.145,1072 -3.11,1073 9.149,1074 11.735,1076 17.677,1077 8.928,1078 2.84,1079 -1.532,1080 16.859,1081 -4.021,1082 9.993,1083 12.805,1085 19.567,1086 9.707,1087 2.759,1088 8.331,1089 18.582,1090 -4.072,1091 11.116,1092 14.343,1094 21.788,1095 10.834,1096 2.241,1097 7.92,1098 20.311,1099 3.906,1100 12.051,1101 15.529,1103 23.775,1104 11.716,1105 1.947,1106 6.438,1107 22.046,1108 3.817,1109 13.127,1110 16.991,1112 25.941,1113 12.784,1114 1.879,1115 5.535,1116 23.785,1117 2.973,1118 14.109,1119 18.246,1121 27.981,1122 13.722,1123 1.414,1124 4.963,1125 25.529,1126 2.577,1127 15.162,1128 19.664,1130 30.119,1131 14.759,1132 0.713,1133 3.525,1134 27.277,1135 2.481,1136 16.168,1137 20.959,1139 32.187,1140 15.727,1141 2841,1142 5464,1143 12.137,1144 20.386,1145 28.457,1146 28.106,1147 28.861,1148 27.877,1149 27.796,1150 37.899,1152 77.263,1153 26.797,1154 4.841,1155 5.041,1156 5.31,1157 4.811,1158 4.84,1159 6.906,1161 14.494,1162 4.761,1163 10.206,1164 1.498,1165 1.479,1166 1.519,1167 1.467,1168 1.463,1169 1.995,1171 4.066,1172 1.41,1173 3.979,1174 3.995,1175 3.929,1176 3.916,1177 6.531,1178 3.916,1179 3.857,1180 3.87,1181 3.809,1182 3.78,1183 6.493,1184 3.784,1185 3.34,1186 3.367,1187 3.257,1188 3.226,1189 6.446,1190 3.228,1191 2.992,1192 3.006,1193 2.897,1194 2.755,1195 6.402,1196 2.78,1197 2.935,1198 2.971,1199 2.818,1200 2.746,1201 4.66,1202 2.752,1203 2.872,1204 2.901,1205 2.765,1206 2.711,1207 4.432,1208 2.718,1209 2.56,1210 2.622,1211 2.377,1212 2.335,1213 3.948,1214 2.331,1215 2.308,1216 2.373,1217 2.054,1218 1.696,1219 3.504,1220 1.783,1221 0.223,1222 0.16,1223 0.313,1224 0.201,1225 0.149,1226 4.24,1227 0.206,1228 3.041,1230 5.951,1231 0.438,1232 3.811,1233 0.145,1234 2.84,1235 3.906,1237 8.331,1238 2.761,1239 1.946,1240 1.929,1241 2.036,1242 2.028,1243 1.133,1244 2.03,1245 1.833,1246 1.819,1247 1.924,1248 1.935,1249 1.012,1250 1.93,1251 1.315,1252 1.286,1253 1.484,1254 1.47,1255 0.521,1256 1.473,1257 0.883,1258 0.856,1259 1.139,1260 1.192,1261 0.161,1262 1.149,1263 0.88,1264 0.84,1265 1.099,1266 1.139,1267 0.084,1268 1.131,1269 0.815,1270 0.787,1271 1.027,1272 1.061,1273 0.062,1274 1.044,1275 0.517,1276 0.453,1277 0.86,1278 0.839,1280 0.843,1281 0.094,1282 0.019,1283 0.615,1284 0.68,1286 0.672,1287 3.664,1289 4.963,1291 6.441,1293 8.003,1295 9.606,1302 37.092,1314 20.02,1315 42.884,1316 79.697,1317 100.942,1318 122.452,1319 133.207,1320 137.207,1321 37.161,1322 6.023,1323 80.92,1324 80.92,1325 12,1326 11.729,1327 3.807,1328 3,1329 31.18,1330 56,1331 44,1332 0.282,1333 125.77,1334 220.92,1335 298.638,1336 2694,1338 13.121,1339 0.729,1340 0.523,1341 13.121,1342 9.408,1343 8.542,1344 0.45,1345 0.278,1346 5.214,1347 8.265,1348 5.109,1349 4.253,1350 8.542,1351 5.275,1352 7.994,1353 0.307,1354 0.149,1355 7.994,1356 3.864,1357 5.966,1358 0.199,1359 0.08,1360 5.966,1361 2.393,1362 4.742,1363 0.132,1364 0.043,1365 4.742,1366 1.551,1367 3.408,1368 0.083,1369 0.023,1370 3.408,1371 0.963,1372 0.442,1373 53.56,1374 0.287,1375 18.262,1376 0.768,1377 90,1378 300.599,1379 98.415,1380 293.645,1381 383.28,1382 268,1383 101,1384 270.121,1385 108.419,1386 275.981,1387 392.43,1388 258,1389 6.2}
{0 CHEMBL1972362,1 1.841,2 8.682,3 1.879,4 3.531,5 86.534,6 9.777,7 0.667,8 3.653,9 3.718,10 3.655,11 3.391,12 4.847,13 3.313,14 4.141,15 4.229,16 3.962,17 3.779,18 5.63,19 3.697,20 4.341,21 4.442,22 3.983,23 3.847,24 5.696,25 3.761,26 4.35,27 4.485,28 3.787,29 3.782,30 5.654,31 3.686,32 4.324,33 4.529,34 3.598,35 3.644,36 5.475,37 3.525,38 4.114,39 4.303,40 3.559,41 3.483,42 5.362,43 3.355,44 3.906,45 4.066,46 3.431,47 3.284,48 5.203,49 3.162,50 3.845,51 3.984,52 3.501,53 3.13,54 5.422,55 3.038,56 0.101,57 0.483,58 5.952,59 3.493,60 20.814,61 3.091,62 0.281,63 0.765,64 12.502,65 6.117,66 58.37,67 5.825,68 0.356,69 0.919,70 17.342,71 7.538,72 61.171,73 6.486,74 0.295,75 0.919,76 15.797,77 7.405,78 48.85,79 7.188,80 0.327,81 0.901,82 16.962,83 7.245,84 55.204,85 8.147,86 0.275,87 0.771,88 14.619,89 6.115,90 41.764,91 6.556,92 0.199,93 0.624,94 13.189,95 5.204,96 30.416,97 4.941,98 0.316,99 0.563,100 12.793,101 4.751,102 50.188,103 3.669,104 30,105 36,106 0.331,107 0.683,108 0.776,109 0.827,110 0.827,111 0.827,112 3.147,113 1.131,114 -2.62,115 -2.64,116 -2.57,119 44.1,124 1,142 5,143 3,144 1,145 2,152 2,158 1,163 1,164 1,165 1,172 7,174 1,175 1,177 1,178 1,183 10,188 9,193 2,196 8,198 2,200 8,205 1,208 5,210 1,213 5,218 1,221 4,223 1,224 1,225 3,227 1,228 1,230 1,233 2,235 1,238 4,243 2,248 2,249 2,250 4,255 2,260 2,264 2,276 618,277 14.195,278 14.195,279 14.195,280 14.195,281 14.195,282 11.96,283 5.977,284 8.027,285 14.641,286 11.834,287 11.834,288 11.834,289 11.834,290 11.834,291 8.348,292 4.836,293 3.777,294 12.626,295 3.246,296 1.295,297 0.775,298 0.493,299 0.493,300 0.493,301 3.82,304 1,305 1,306 1,307 402,308 3.464,311 44.973,312 122.122,315 86.276,319 1.409,320 31.658,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 48,332 191,333 4.803,334 5.18,335 7.111,336 4.201,337 3.318,338 4.667,339 2.95,340 11.661,341 3.098,342 4.623,343 3.519,344 6.727,345 4.128,346 3.18,347 4.565,348 0.98,349 10.987,350 2.826,351 4.069,352 3.116,353 6.002,354 3.661,355 2.697,356 3.619,358 8.542,359 2.577,360 3.745,361 2.682,362 5.591,363 3.294,364 2.31,365 3.177,367 7.085,368 2.254,369 3.318,370 2.43,371 4.776,372 2.769,373 1.808,374 2.667,376 5.185,377 1.72,378 2.999,379 1.766,380 4.497,381 2.448,382 1.494,383 2.219,385 4.213,386 1.418,387 2.848,388 1.58,389 4.023,390 2.292,391 1.34,392 1.991,394 3.439,395 1.26,396 2.543,397 1.322,398 3.669,399 2,400 1,401 1.5,403 2.459,404 1,405 2.5,406 1,407 3.414,408 1.958,409 1,410 1.466,412 2.275,413 0.932,414 1.973,415 0.846,416 3.274,417 1.389,418 0.493,419 0.723,421 1.349,422 0.432,423 1.104,424 0.447,425 2.807,426 0.637,427 -0.311,428 -0.42,430 -0.775,431 -0.29,432 1,433 0.116,434 2.431,435 0.203,436 -0.745,437 -1.019,439 -1.885,440 -0.68,441 0.734,442 -0.06,443 2.228,444 0.05,445 -1,446 -1.227,448 -2,449 -0.788,450 0.5,451 -0.494,452 2,454 -1,455 -1.314,457 -2.874,458 -0.914,459 0.5,460 -0.986,461 2,463 -1,464 -1.5,466 -3,467 -1,468 10.967,469 0.498,470 0.813,471 0.037,472 32,473 1.455,474 18.5,475 0.841,476 13.5,477 0.614,478 15.056,479 0.684,480 22.633,481 0.666,482 22.54,483 1.025,484 6.019,485 0.274,486 4.34,487 0.197,488 0.173,489 0.076,490 0.319,496 0.519,497 0.928,498 0.792,499 0.941,500 0.687,501 0.753,502 0.598,503 0.838,504 0.97,505 0.922,506 0.518,507 0.777,508 1.149,509 1.078,510 1.139,511 1.124,512 1.152,513 1.047,514 0.972,515 1.169,516 1.052,517 1.09,518 0.927,519 1.187,520 0.776,521 0.91,522 0.721,523 0.762,524 0.719,525 0.963,526 0.655,527 0.94,528 0.899,529 0.922,530 0.627,531 0.998,532 0.962,533 1.176,534 1.179,535 1.216,536 0.884,537 1.115,538 1.485,539 1.057,540 0.883,541 0.896,542 1.563,543 1.002,544 6,545 0.099,546 3.333,547 1.757,548 1.201,549 0.823,550 0.626,551 0.358,552 0.253,553 0.212,554 4579,555 17673,556 2.006,557 35.3,559 8,561 2,562 2,567 1.645,568 1.821,569 3.099,570 0.393,572 1,574 1,577 62.596,578 1.841,579 3.793,580 4.312,581 4.595,582 4.595,583 4.595,584 2.495,585 3.568,586 4.429,587 3.271,588 755.604,589 7.611,590 8128.45,591 1,592 1,594 1,595 172.974,596 1.742,597 4.35,598 0.25,599 0.02,600 0.093,601 0.05,602 0.039,603 0.033,604 0.028,605 0.02,606 0.015,607 0.018,608 0.565,609 0.5,610 1,611 1.003,612 100.211,613 0.034,614 0.105,615 0.14,616 0.053,617 -0.161,618 0.097,619 0.156,620 0.154,621 -0.018,622 0.079,623 0.233,624 0.118,625 -0.19,626 -0.134,627 -0.184,628 -0.133,629 -0.163,630 -0.136,631 -0.15,632 -0.244,633 -0.231,634 -0.21,635 -0.113,636 -0.26,637 -0.041,638 -0.001,639 0.073,640 0.071,641 -0.042,642 0.068,643 0.085,644 0.048,645 0.047,646 0.017,647 0.048,648 0.021,649 -0.077,650 -0.177,651 -0.077,652 -0.158,653 -0.013,654 -0.106,655 -0.075,656 -0.044,657 0.121,658 0.077,659 -0.102,660 -0.093,661 4.143,662 4.509,663 0.682,664 16.843,665 1.022,666 1.104,667 1.394,668 1.942,669 0.749,670 3.219,671 3.611,672 3.85,673 4.094,674 4.331,675 4.477,676 4.595,677 4.644,678 4.635,679 4.691,680 5.331,681 0.712,682 332.43,683 3.219,684 4.796,685 5.652,686 6.558,687 7.439,688 8.345,689 9.235,690 10.141,691 11.035,692 11.942,693 5.9,700 1,703 1,708 2,709 7,710 1,713 1,714 4,716 16,722 1,735 34,737 19,738 1,739 24,741 36,742 15,743 13,744 2,745 4,746 1,748 3,749 4,762 14,763 1,767 3,770 1,772 3,776 1,779 1,780 1,783 12,784 5,785 2,786 7,787 2,792 2,797 0.667,798 3,809 1,815 1,816 2,819 1,843 2,845 2,847 1,851 22,852 1,854 1,869 1,874 8.8,877 3,881 12.083,882 6.45,883 4.611,884 1.744,886 3.463,887 1.496,888 1.029,889 3.651,890 10.441,891 3.584,892 4.301,893 4.882,894 5.513,895 6.098,896 6.535,897 7.006,898 7.412,899 7.702,900 8.089,901 0.833,902 35,903 8.262,905 3.787,906 8.155,907 15.073,909 12.76,911 2.655,912 58.417,916 117.711,917 127.294,918 49.683,920 69.458,922 37.324,923 89.97,924 187.169,925 49.683,926 7.19,927 32.897,928 53.427,929 114.49,930 28.59,931 2.104,932 125.447,934 117.711,935 139.653,936 69.458,937 37.324,939 117.711,940 69.458,943 50.992,944 71.875,945 22.831,946 31.278,947 117.711,948 119.141,949 127.294,951 6.046,952 117.711,953 48.581,954 72.666,956 119.141,957 117.711,958 119.141,959 127.294,961 0.606,962 0.34,963 0.167,964 0.093,965 19,966 9,967 0.083,968 3,969 1,970 1.133,971 3.302,972 176.395,973 0.133,974 15,975 92.107,977 1,980 1,981 14.98,982 5.362,983 2.868,984 1.736,985 119.141,986 11.693,987 4.173,990 1.289,991 2.4,993 32.897,994 364.145,995 35,998 -3.226,1000 34.338,1004 -0.473,1007 34.756,1008 37.541,1009 0.362,1010 0.746,1011 0.848,1012 0.903,1013 0.903,1014 0.903,1015 4.836,1016 1,1017 5.714,1018 3.439,1019 4.29,1020 4.987,1021 3.012,1022 6.603,1023 4.167,1024 6.129,1025 1,1026 7.338,1027 2.459,1028 4.205,1029 5.19,1031 7.849,1032 3.958,1033 7.511,1034 0.493,1035 9.072,1036 2.275,1037 6.023,1038 7.409,1039 5.039,1040 10.856,1041 5.753,1042 8.934,1043 -0.311,1044 10.87,1045 1.349,1046 6.698,1047 8.388,1049 12.858,1050 6.285,1051 10.389,1052 -0.745,1053 12.707,1054 -0.775,1055 8.089,1056 10.163,1057 7.186,1058 15.465,1059 7.646,1060 11.867,1061 -1,1062 14.57,1063 -1.885,1064 9.062,1065 11.459,1067 17.736,1068 8.487,1069 13.361,1070 -1,1071 16.451,1072 -2,1073 10.309,1074 13.078,1075 9.348,1076 20.223,1077 9.686,1078 3.318,1079 -1,1080 18.345,1081 -2.874,1082 11.403,1083 14.507,1085 22.594,1086 10.666,1087 3.18,1088 11.661,1089 20.249,1090 -3,1091 12.601,1092 16.069,1093 11.511,1094 25.045,1095 11.802,1096 2.697,1097 10.987,1098 22.161,1099 4.667,1100 13.744,1101 17.555,1103 27.455,1104 12.847,1105 2.31,1106 8.542,1107 24.079,1108 4.565,1109 14.927,1110 19.095,1111 13.675,1112 29.895,1113 13.96,1114 1.808,1115 7.085,1116 26.002,1117 3.619,1118 16.091,1119 20.606,1121 32.321,1122 15.037,1123 1.494,1124 5.185,1125 27.929,1126 3.177,1127 17.271,1128 22.139,1129 15.838,1130 34.759,1131 16.145,1132 1.34,1133 4.213,1134 29.86,1135 2.667,1136 18.446,1137 23.661,1139 37.193,1140 17.239,1141 4580,1142 9097,1143 15.315,1144 25.477,1145 37.673,1146 39.804,1147 38.168,1148 37.363,1149 37.281,1150 53.189,1151 7.86,1152 114.388,1153 35.036,1154 5.477,1155 7.18,1156 6.629,1157 5.31,1158 5.318,1159 7.667,1160 5.9,1161 18.888,1162 5.098,1163 13.123,1164 1.57,1165 1.658,1166 1.59,1167 1.557,1168 1.553,1169 2.216,1170 0.327,1171 4.766,1172 1.46,1173 4.135,1174 4.132,1175 4.735,1176 4.145,1177 7.716,1178 4.089,1179 4.007,1180 3.978,1181 4.336,1182 4.037,1183 7.437,1184 3.932,1185 3.643,1186 3.637,1187 3.749,1188 3.608,1189 6.999,1190 3.536,1191 3.449,1192 3.489,1193 3.423,1194 3.262,1195 4.978,1196 3.272,1197 3.057,1198 3.128,1199 3.148,1200 2.871,1201 4.867,1202 2.848,1203 2.894,1204 2.945,1205 2.854,1206 2.75,1207 4.631,1208 2.773,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 4.249,1214 2.715,1215 2.672,1216 2.742,1217 2.477,1218 2.47,1219 3.735,1220 2.427,1221 0.2,1222 0.216,1223 0.296,1224 0.175,1225 0.138,1226 4.803,1227 0.194,1228 5.18,1229 0.123,1230 7.111,1231 0.486,1232 4.201,1233 0.129,1234 3.318,1235 4.667,1236 2.95,1237 11.661,1238 3.098,1239 2.02,1240 2.023,1241 2.051,1242 2.069,1243 1.257,1244 2.1,1245 1.822,1246 1.83,1247 1.821,1248 1.894,1249 1.065,1250 1.928,1251 1.538,1252 1.544,1253 1.576,1254 1.696,1255 0.78,1256 1.681,1257 1.498,1258 1.496,1259 1.537,1260 1.628,1261 0.683,1262 1.675,1263 0.951,1264 0.901,1265 1.19,1266 1.224,1267 0.253,1268 1.24,1269 0.889,1270 0.829,1271 1.181,1272 1.062,1273 0.218,1274 1.107,1275 0.886,1276 0.821,1277 1.075,1278 1.035,1279 0.03,1280 1.078,1281 0.708,1282 0.641,1283 0.868,1284 0.925,1286 0.973,1287 3.892,1289 5.263,1290 2.398,1291 6.817,1292 4.727,1293 8.45,1294 6.862,1295 10.123,1297 1.169,1301 5.318,1314 24.195,1315 62.596,1316 128.958,1317 146.609,1318 156.219,1319 156.219,1320 156.219,1321 45.1,1322 6.978,1323 90.12,1324 126.74,1325 17,1326 12.462,1327 4.322,1328 3.585,1329 34.481,1330 69,1331 60,1332 0.251,1333 156.895,1334 262.55,1335 374.585,1336 8731,1338 15.905,1339 0.723,1340 0.602,1341 16.509,1342 13.24,1343 10.359,1344 0.432,1345 0.377,1346 6.509,1347 8.843,1348 6.068,1349 5.023,1350 11.662,1351 9.047,1352 10.472,1353 0.291,1354 0.221,1355 12.501,1356 7.97,1357 7.993,1358 0.174,1359 0.119,1360 9.625,1361 5.495,1362 6.431,1363 0.109,1364 0.063,1365 7.776,1366 3.731,1367 5.18,1368 0.069,1369 0.033,1370 6.275,1371 2.474,1372 0.384,1373 77.547,1374 0.256,1375 21.393,1376 0.712,1377 120,1378 395.885,1379 187.212,1380 426.87,1381 567.04,1382 390,1383 142,1384 367.062,1385 212.485,1386 423.426,1387 611.27,1388 394,1389 5.7}
{0 CHEMBL1972489,1 1.71,2 8.632,3 3.06,4 9.364,5 73.883,6 9.37,7 0.762,8 3.505,9 3.61,10 3.265,11 3.14,12 4.735,13 3.132,14 3.948,15 4.065,16 3.633,17 3.513,18 5.205,19 3.486,20 4.158,21 4.325,22 3.591,23 3.545,24 5.375,25 3.483,26 4.101,27 4.298,28 3.359,29 3.324,30 5.347,31 3.265,32 3.907,33 4.124,34 3.167,35 3.108,36 5.124,37 3.065,38 3.683,39 3.838,40 3.263,41 3.073,42 5.097,43 3.035,44 3.669,45 3.856,46 3.043,47 3.058,48 4.849,49 2.972,50 3.569,51 3.778,52 2.947,53 2.903,54 4.678,55 2.807,56 0.075,57 0.428,58 3.527,59 2.134,60 5.11,61 2.373,62 0.127,63 0.644,64 6.083,65 3.547,66 10.583,67 4.062,68 0.204,69 0.745,70 12.72,71 4.996,72 22.501,73 5.701,74 0.272,75 0.704,76 13.534,77 4.7,78 28.351,79 5.222,80 0.268,81 0.569,82 11.09,83 3.981,84 36.469,85 4.432,86 0.259,87 0.445,88 7.708,89 2.943,90 30.327,91 3.284,92 0.137,93 0.436,94 8.369,95 3.388,96 13.397,97 4.331,98 0.137,99 0.399,100 7.634,101 2.964,102 18.993,103 3.561,104 5,105 29,106 0.321,107 0.617,108 0.76,109 0.861,110 0.861,111 0.861,112 3.01,113 0.872,114 -4.22,115 -4.16,116 -3.93,119 48.3,142 7,143 2,144 2,146 1,151 1,158 1,168 1,172 6,175 3,178 1,180 4,183 9,188 3,193 5,196 5,200 5,203 1,205 4,208 3,213 1,217 1,221 5,224 1,225 3,230 1,233 7,238 2,241 1,243 1,246 4,250 2,255 2,258 4,269 2,272 1,276 397,277 12.878,278 12.878,279 12.878,280 12.878,281 12.878,282 10.873,283 9.121,284 7.588,285 13.111,286 10.365,287 10.365,288 10.365,289 10.365,290 10.365,291 7.375,292 11.333,293 3.623,294 10.78,295 3.147,296 1.574,297 0.816,298 0.276,299 0.276,300 0.276,301 3.689,302 1,305 1,306 1,307 359,308 2.55,311 43.987,312 108.164,315 75.878,319 1.335,320 16.744,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 40.833,332 164,333 4.43,334 3.573,335 6.201,336 3.943,337 2.961,338 4.366,339 1.058,340 9.286,341 2.907,342 4.185,343 2.946,344 6.045,345 3.802,346 2.806,347 3.762,349 8.663,350 2.789,351 3.731,352 2.902,353 5.262,354 3.287,355 2.357,356 3.143,358 6.691,359 2.198,360 3.52,361 2.328,362 4.997,363 3.066,364 2.127,365 2.887,367 5.927,368 1.918,369 3.034,370 1.965,371 4.37,372 2.515,373 1.534,374 2.301,376 4.219,377 1.502,378 2.786,379 1.534,380 4.026,381 2.275,382 1.293,383 1.824,385 3.345,386 1.224,387 2.575,388 1.132,389 3.44,390 2.039,391 1.072,392 1.595,394 2.411,395 1.029,396 2.5,397 1,398 3.414,399 2,400 1,401 1.5,403 2.275,404 1,405 1.951,406 0.649,407 3.051,408 1.45,409 0.468,410 0.686,412 1.128,413 0.458,414 1.156,415 0.451,416 2.744,417 0.775,418 -0.138,419 -0.169,421 -0.333,422 -0.105,423 1.11,424 0.245,425 2.265,426 0.58,427 -0.35,428 -0.478,430 -0.823,431 -0.299,432 0.636,433 -0.547,434 2,435 0.143,436 -0.858,437 -1.259,439 -2.344,440 -0.851,441 0.5,442 -0.859,443 1.926,445 -1,446 -1.431,448 -2.513,449 -0.955,450 0.487,451 -0.941,452 1.624,453 -0.002,454 -1,455 -1.5,457 -2.997,458 -1,459 0.007,460 -1,461 1.514,462 -0.423,463 -1.236,464 -1.594,466 -3,467 -1.008,468 9.248,469 0.487,470 0.452,471 0.024,472 28,473 1.474,474 16,475 0.842,476 12,477 0.632,478 10.672,479 0.562,480 18.952,481 0.654,482 17.655,483 0.929,484 5.7,485 0.3,486 3.52,487 0.185,488 0.113,490 0.324,496 0.649,497 0.923,498 0.538,499 0.711,500 0.564,501 0.7,502 0.65,503 1.194,504 0.661,505 0.941,506 0.576,507 0.931,508 1.063,509 1.18,510 1.065,511 1.149,512 0.981,513 1.126,514 1.33,515 1.09,516 1.087,517 1.129,518 1.392,519 1.133,520 1.424,521 0.731,522 0.692,523 0.675,524 1.846,525 0.756,526 0.725,527 0.833,528 0.757,529 0.983,530 1.023,531 0.961,532 0.581,533 1.005,534 0.861,535 1.085,536 0.697,537 1.068,538 0.995,539 1.008,540 0.871,541 0.854,542 0.989,543 0.949,544 4,545 0.05,546 2.222,547 1.007,548 0.871,549 0.462,550 0.228,551 0.236,552 0.107,553 0.055,554 3544,555 11901,556 2.113,557 34.5,559 7,560 1,562 2,567 1.598,568 2,569 3.123,570 0.393,572 1,574 1,577 49.604,578 1.71,579 3.284,580 4.042,581 4.582,582 4.582,583 4.582,584 2.55,585 3.722,586 4.223,587 3.229,588 552.086,589 7.167,590 5439.43,591 1,592 1,593 1,594 1,595 140.881,596 1.324,597 4.189,598 0.19,599 0.013,600 0.077,601 0.039,602 0.044,603 0.027,604 0.013,605 0.016,606 0.009,607 0.007,608 0.434,609 0.83,610 1,611 0.565,612 82.907,613 -0.02,614 0.164,616 0.09,617 -0.077,618 0.065,619 0.037,620 -0.161,621 -0.027,622 -0.101,623 0.029,624 -0.117,625 -0.153,626 -0.219,627 -0.155,628 -0.207,629 -0.069,630 -0.189,631 -0.191,632 -0.11,633 -0.171,634 -0.175,635 -0.122,636 -0.169,637 -0.178,638 0.23,639 0.11,640 0.307,641 -0.22,642 0.26,643 0.359,644 0.136,645 0.096,646 -0.047,647 0.246,648 -0.043,649 0.179,650 -0.115,651 0.031,652 -0.086,653 0.104,654 -0.03,655 -0.108,656 -0.082,657 0.105,658 0.157,659 -0.086,660 0.1,661 1.841,662 5.017,663 0.789,664 12.404,665 1.017,666 1.114,667 2.991,668 8.945,669 0.737,670 3.091,671 3.401,672 3.638,673 3.85,674 4.007,675 4.007,676 4.025,677 4.111,678 3.989,679 4.007,680 5.142,681 0.714,682 271.72,683 3.091,684 4.615,685 5.451,686 6.312,687 7.162,688 8.024,689 8.878,690 9.741,691 10.597,692 11.461,693 10.3,700 1,701 1,703 1,708 2,709 8,710 1,711 1,714 3,716 16,723 1,734 1,735 29,737 17,738 2,739 21,741 31,742 14,743 13,744 5,745 7,746 1,748 3,749 4,750 1,762 14,767 1,772 1,776 1,780 1,783 10,784 3,785 2,786 5,787 1,792 3,797 0.667,798 1,807 1,815 1,816 2,819 1,843 2,848 1,851 19,860 1,873 1,874 3.4,877 1,881 9.5,882 5.176,883 4.139,884 1.594,886 3.009,887 1.462,888 1.034,889 3.133,890 9.518,891 3.434,892 4.073,893 4.674,894 5.254,895 5.731,896 5.961,897 6.261,898 6.599,899 6.523,900 6.865,901 0.833,902 26,903 6.958,905 2.967,906 7.874,907 13.018,909 10.544,911 2.374,912 45.111,913 0.001,916 94.169,917 94.246,918 51.337,919 39.149,920 25.145,923 94.246,924 158.462,925 51.337,927 18.011,928 75.381,929 46.513,930 30.823,931 11.771,932 82.398,933 39.149,934 94.169,935 145.583,936 25.145,937 39.149,939 94.169,940 25.145,943 36.818,944 92.102,945 55.812,947 94.169,948 76.482,949 133.394,952 94.169,953 18.865,954 75.381,955 34.674,956 80.957,957 94.169,958 76.482,959 133.394,961 0.583,962 0.335,963 0.172,964 0.089,965 15,966 6,967 0.065,968 2,969 1,970 1.133,971 3.245,972 137.122,973 0.133,974 15,975 76.711,981 12.055,982 4.938,983 2.56,984 1.818,985 59.819,986 14.109,987 4.077,988 2.779,991 1.876,993 34.674,994 304.045,995 30,1000 12.017,1004 -0.174,1007 29.491,1008 32.309,1009 0.352,1010 0.676,1011 0.832,1012 0.943,1013 0.943,1014 0.943,1015 4.635,1016 1,1017 5.425,1018 2.411,1019 4.078,1020 4.758,1021 1.176,1022 6.188,1023 4.011,1024 5.855,1025 0.468,1026 6.956,1027 2.275,1028 3.611,1029 4.543,1031 6.969,1032 3.487,1033 7.16,1034 -0.138,1035 8.581,1036 1.128,1037 5.631,1038 7.011,1039 1.255,1040 10.016,1041 5.52,1042 8.502,1043 -0.35,1044 10.26,1045 -0.333,1046 5.969,1047 7.634,1049 11.603,1050 5.825,1051 9.872,1052 -0.858,1053 11.973,1054 -0.823,1055 7.447,1056 9.545,1057 1.338,1058 14.138,1059 7.309,1060 11.263,1061 -1,1062 13.71,1063 -2.344,1064 8.157,1065 10.575,1067 16.064,1068 8.002,1069 12.67,1070 -1,1071 15.464,1072 -2.513,1073 9.405,1074 12.242,1075 1.422,1076 18.407,1077 9.247,1078 2.961,1079 -1.236,1080 17.23,1081 -2.997,1082 10.295,1083 13.483,1085 20.486,1086 10.127,1087 2.806,1088 9.286,1089 19.005,1090 -3,1091 11.44,1092 15.037,1093 1.51,1094 22.751,1095 11.266,1096 2.357,1097 8.663,1098 20.788,1099 4.366,1100 12.421,1101 16.386,1103 24.899,1104 12.235,1105 2.127,1106 6.691,1107 22.577,1108 3.762,1109 13.521,1110 17.889,1111 1.599,1112 27.132,1113 13.326,1114 1.534,1115 5.927,1116 24.37,1117 3.143,1118 14.545,1119 19.295,1121 29.314,1122 14.338,1123 1.293,1124 4.219,1125 26.167,1126 2.887,1127 15.626,1128 20.776,1129 1.69,1130 31.534,1131 15.408,1132 1.072,1133 3.345,1134 27.967,1135 2.301,1136 16.673,1137 22.211,1139 33.732,1140 16.441,1141 3401,1142 6324,1143 14.216,1144 21.375,1145 31.711,1146 32.465,1147 31.903,1148 31.439,1149 31.237,1150 44.127,1151 2.117,1152 87.891,1153 30.05,1154 5.253,1155 5.573,1156 5.713,1157 4.973,1158 4.961,1159 7.366,1160 2.117,1161 15.612,1162 4.907,1163 7.375,1164 1.51,1165 1.546,1166 1.519,1167 1.497,1168 1.487,1169 2.101,1170 0.101,1171 4.185,1172 1.431,1173 4.093,1174 4.135,1175 4.062,1176 3.986,1177 7.429,1178 3.997,1179 3.912,1180 3.933,1181 3.988,1182 3.854,1183 5.097,1184 3.848,1185 3.483,1186 3.545,1187 3.537,1188 3.267,1189 4.93,1190 3.297,1191 3.194,1192 3.226,1193 3.286,1194 3.013,1195 4.433,1196 3.03,1197 2.899,1198 2.953,1199 2.935,1200 2.784,1201 4.269,1202 2.777,1203 2.854,1204 2.925,1205 2.758,1206 2.735,1207 3.843,1208 2.715,1209 2.637,1210 2.696,1211 2.687,1212 2.434,1213 3.674,1214 2.446,1215 2.384,1216 2.441,1217 2.321,1218 2.128,1219 3.541,1220 2.153,1221 0.211,1222 0.17,1223 0.295,1224 0.188,1225 0.141,1226 4.43,1227 0.208,1228 3.573,1229 0.05,1230 6.201,1231 0.442,1232 3.943,1233 0.138,1234 2.961,1235 4.366,1236 1.058,1237 9.286,1238 2.907,1239 1.94,1240 1.918,1241 2.019,1242 2.031,1243 1.14,1244 2.029,1245 1.875,1246 1.856,1247 1.96,1248 1.94,1249 1.065,1250 1.953,1251 1.373,1252 1.299,1253 1.531,1254 1.7,1255 0.503,1256 1.655,1257 1.186,1258 1.148,1259 1.272,1260 1.455,1261 0.248,1262 1.409,1263 0.907,1264 0.869,1265 1.181,1266 1.062,1267 0.218,1268 1.107,1269 0.886,1270 0.821,1271 1.115,1272 1.057,1273 0.178,1274 1.075,1275 0.734,1276 0.661,1277 0.944,1278 0.941,1279 0.005,1280 0.961,1281 0.434,1282 0.39,1283 0.718,1284 0.697,1286 0.719,1287 3.761,1289 5.069,1290 2.398,1291 6.564,1292 4.595,1293 8.141,1294 6.581,1295 9.759,1298 5.786,1305 2.824,1314 20.714,1315 49.604,1316 95.23,1317 117.23,1318 132.881,1319 132.881,1320 132.881,1321 24.701,1322 6.509,1323 57.78,1324 57.78,1325 17,1326 12.01,1327 4.17,1328 3.322,1329 27.969,1330 59,1331 56,1332 0.236,1333 132.176,1334 216.86,1335 314.269,1336 5194,1337 3.4,1338 13.242,1339 0.697,1340 0.558,1341 13.742,1342 10.608,1343 9.22,1344 0.439,1345 0.291,1346 5.695,1347 8.642,1348 5.557,1349 4.601,1350 9.509,1351 6.105,1352 8.363,1353 0.288,1354 0.157,1355 8.771,1356 4.556,1357 6.969,1358 0.188,1359 0.082,1360 7.257,1361 3.052,1362 5.587,1363 0.121,1364 0.042,1365 5.754,1366 1.942,1367 4.249,1368 0.079,1369 0.024,1370 4.463,1371 1.281,1372 0.368,1373 60.437,1374 0.265,1375 19.146,1376 0.647,1377 100,1378 308.25,1379 122.896,1380 333.888,1381 445.75,1382 310,1383 116,1384 306.922,1385 133.33,1386 321.768,1387 464.99,1388 303,1389 5.1}
{0 CHEMBL1972568,1 1.481,2 7.875,3 1.499,4 2.246,5 63.662,6 7.581,7 0.706,8 3.421,9 3.528,10 3.013,11 2.995,12 4.61,13 2.977,14 3.856,15 4.016,16 3.229,17 3.283,18 4.965,19 3.247,20 3.956,21 4.131,22 3.175,23 3.346,24 5.016,25 3.262,26 3.946,27 4.177,28 2.928,29 3.213,30 4.89,31 3.084,32 3.876,33 4.14,34 2.813,35 3.073,36 4.769,37 2.958,38 3.628,39 3.821,40 2.757,41 2.985,42 4.631,43 2.882,44 3.673,45 3.929,46 2.699,47 2.844,48 4.635,49 2.746,50 3.457,51 3.704,52 2.452,53 2.539,54 4.47,55 2.468,56 0.004,57 0.381,58 5.224,59 2.444,60 5.504,61 3.094,62 0.106,63 0.57,64 9.391,65 3.602,66 13.091,67 4.527,68 0.122,69 0.618,70 10.425,71 4.371,72 14.121,73 5.743,74 0.052,75 0.597,76 11.061,77 4.559,78 14.059,79 6.322,80 0.13,81 0.547,82 11.26,83 3.992,84 16.24,85 5.569,86 0.041,87 0.442,88 7.548,89 3.202,90 8.962,91 4.293,92 0.057,93 0.452,94 8.892,95 3.228,96 12.576,97 4.575,98 0.124,99 0.359,100 7.395,101 2.305,102 13.453,103 3.059,104 3,105 21,106 0.287,107 0.57,108 0.74,109 0.828,110 0.842,111 0.842,112 2.85,113 0.874,114 -2.44,115 -2.47,116 -2.42,119 46.4,124 1,135 2,142 3,143 2,144 1,145 4,172 6,175 4,183 6,187 1,188 4,196 4,200 3,208 3,213 3,221 2,225 4,238 3,249 1,263 1,276 256,277 11.146,278 11.146,279 11.146,280 11.146,281 11.146,282 9.566,283 4.313,284 6.94,285 11.456,286 8.36,287 8.36,288 8.36,289 8.36,290 8.36,291 6.015,292 4.651,293 3.261,294 8.736,295 3.326,296 1.859,297 0.982,298 0.527,299 0.456,300 0.456,301 3.511,305 1,306 1,307 263,308 2.121,312 106.461,319 1.156,320 7.306,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 34,332 126,333 4.109,334 2.892,335 5.597,336 3.678,337 2.704,338 3.724,339 0.86,340 7.716,341 2.639,342 3.913,343 2.537,344 5.335,345 3.484,346 2.499,347 3.481,349 6.951,350 2.458,351 3.412,352 2.242,353 4.942,354 3.009,355 2.057,356 2.696,358 5.785,359 1.946,360 2.968,361 1.51,362 3.64,363 2.433,364 1.496,365 2.148,367 3.15,368 1.399,369 2.698,370 1.302,371 3.496,372 2.146,373 1.23,374 1.781,376 2.654,377 1.124,378 2.5,379 1,380 3.247,381 1.984,382 1,383 1.5,385 2.136,386 0.983,387 2.306,388 0.936,389 3.088,390 1.591,391 0.608,392 0.984,394 1.413,395 0.596,396 1.583,397 0.6,398 2.684,399 1.285,400 0.425,401 0.479,403 0.62,404 0.363,405 0.916,406 -0.357,407 2.298,408 0.563,409 -0.411,410 -0.515,412 -0.979,413 -0.398,414 0.684,415 -0.46,416 1.673,417 0.167,418 -0.757,419 -0.977,421 -1.565,422 -0.688,423 0.581,424 -0.866,425 1.555,426 0.095,427 -0.881,428 -1.325,430 -2.177,431 -0.859,432 0.5,433 -1,434 1.546,435 -0.049,436 -1,437 -1.5,439 -2.347,440 -0.946,441 -0.091,442 -1.239,443 1.1,444 -0.396,445 -1.375,446 -1.822,448 -3.733,449 -1.327,450 -0.471,451 -1.454,452 0.683,453 -0.772,454 -1.662,455 -2.072,457 -4.235,458 -1.497,459 -0.5,460 -1.923,461 0.514,462 -0.947,463 -1.933,464 -2.582,466 -4.789,467 -1.91,468 7.633,469 0.477,470 0.205,471 0.013,472 24,473 1.5,474 14,475 0.875,476 10,477 0.625,478 7.637,479 0.477,480 16.367,481 0.585,482 13.879,483 0.867,484 5.107,485 0.319,486 2.775,487 0.173,488 0.066,490 0.197,496 0.836,497 1.271,498 0.753,499 1.089,500 0.784,501 0.942,502 1.509,503 0.918,504 1.001,505 0.827,506 1.233,507 0.843,508 0.917,509 1.069,510 1.098,511 1.126,512 0.977,513 1.142,514 0.624,515 1.142,516 1.022,517 1.212,518 0.806,519 1.178,520 1.048,521 0.693,522 0.914,523 0.715,524 0.996,525 0.777,526 0.822,527 1.232,528 1.119,529 1.253,530 1,531 1.236,532 0.805,533 1.089,534 0.822,535 0.989,536 0.782,537 0.916,538 1.715,539 0.766,540 1.093,541 0.811,542 1.381,543 0.856,544 2.5,545 0.012,546 0.889,547 0.438,548 0.533,549 0.243,550 0.083,551 0.111,552 0.053,553 0.026,554 2125,555 6030,556 2.066,557 42.9,559 8,561 4,567 1.545,568 2,569 3.025,570 -0.795,572 1,574 1,577 41.481,578 1.481,579 2.949,580 3.825,581 4.28,582 4.352,583 4.352,584 2.453,585 3.328,586 3.975,587 3.099,588 371.909,589 6.662,590 3304.39,592 1,594 1,595 134.606,596 1.014,597 3.962,598 0.147,599 0.012,600 0.042,601 0.023,602 0.038,603 0.019,604 0.007,605 0.01,606 0.007,607 0.006,608 0.312,609 1,610 1,611 0.75,612 65.757,613 0.006,614 -0.221,615 0.057,616 -0.12,617 0.009,618 -0.041,619 -0.255,620 0.121,621 -0.087,622 0.118,623 -0.188,624 0.053,625 0.018,626 -0.089,627 -0.202,628 -0.153,629 -0.099,630 -0.202,631 0.026,632 -0.218,633 -0.084,634 -0.225,635 -0.011,636 -0.178,637 -0.113,638 0.248,639 0.104,640 0.257,641 -0.01,642 0.222,643 -0.071,644 -0.275,645 -0.221,646 -0.276,647 -0.188,648 -0.273,649 0.063,650 -0.15,651 0.186,652 -0.028,653 0.195,654 0.077,655 -0.115,656 0.228,657 -0.017,658 0.094,659 -0.022,660 0.06,661 0.906,662 1.6,663 0.75,664 9.5,665 0.998,666 1.117,667 1.21,668 1.465,669 0.688,670 2.89,671 3.091,672 3.258,673 3.401,674 3.555,675 3.332,676 3.332,677 3.296,678 3.332,679 3.219,680 4.768,681 0.657,682 212.27,683 2.89,684 4.344,685 5.13,686 5.938,687 6.737,688 7.549,689 8.353,690 9.166,691 9.971,692 10.785,693 7.1,703 2,709 7,710 2,714 3,716 12,733 1,735 28,737 13,739 17,741 29,742 13,743 10,746 2,748 2,749 2,762 12,763 1,767 1,774 2,780 1,783 12,784 3,786 3,792 2,797 1,798 1,809 2,816 2,834 2,843 2,847 1,851 16,861 1,874 3.6,879 1,881 8,882 5.317,883 3.75,884 1.475,886 2.776,887 1.482,888 0.956,889 3.418,890 8.538,891 3.219,892 3.738,893 4.277,894 4.777,895 5.293,896 5.259,897 5.606,898 5.883,899 6.306,900 6.551,901 1,902 19,903 5.825,905 2.279,906 7.656,907 11.084,909 8.307,911 2.156,912 34.5,913 0.003,916 141.253,917 106.069,918 33.571,920 11,923 106.069,924 152.253,925 33.571,926 10.883,928 47.381,929 80.655,930 58.804,932 94.169,934 141.253,935 139.64,936 11,939 141.253,940 11,943 36.19,944 50.926,945 52.524,947 141.253,948 44.571,949 106.069,952 141.253,953 11.615,954 94.454,956 44.571,957 141.253,958 44.571,959 106.069,961 0.548,962 0.311,963 0.161,964 0.087,965 9,966 3,967 0.103,968 3,970 1,971 2.987,972 97.795,974 12,975 60,981 10.528,982 5.195,983 3.001,985 44.571,986 12.843,987 8.041,991 2.88,994 291.893,995 24,1002 4.003,1007 27.949,1008 31.282,1009 0.308,1010 0.613,1011 0.796,1012 0.89,1013 0.905,1014 0.905,1015 4.357,1016 0.425,1017 5.03,1018 1.413,1019 3.761,1020 4.419,1021 0.908,1022 5.673,1023 3.687,1024 5.515,1025 -0.411,1026 6.475,1027 0.62,1028 2.944,1029 3.726,1031 6.188,1032 2.879,1033 6.759,1034 -0.757,1035 8.012,1036 -0.979,1037 5.187,1038 6.515,1039 0.739,1040 9.198,1041 5.064,1042 8.039,1043 -0.881,1044 9.603,1045 -1.565,1046 5.198,1047 6.648,1049 10.526,1050 5.082,1051 9.347,1052 -1,1053 11.227,1054 -2.177,1055 6.843,1056 8.834,1057 0.593,1058 12.97,1059 6.682,1060 10.675,1061 -1.375,1062 12.874,1063 -2.347,1064 7.274,1065 9.398,1067 14.646,1068 7.113,1069 12.019,1070 -1.662,1071 14.535,1072 -3.733,1073 8.615,1074 11.259,1075 0.469,1076 16.861,1077 8.417,1078 2.704,1079 -1.933,1080 16.206,1081 -4.235,1082 9.281,1083 12.079,1085 18.706,1086 9.075,1087 2.499,1088 7.716,1089 17.884,1090 -4.789,1091 10.458,1092 13.744,1093 0.366,1094 20.819,1095 10.221,1096 2.057,1097 6.951,1098 19.567,1099 3.724,1100 11.257,1101 14.728,1103 22.751,1104 11.006,1105 1.496,1106 5.785,1107 21.254,1108 3.481,1109 12.344,1110 16.267,1111 0.283,1112 24.818,1113 12.066,1114 1.23,1115 3.15,1116 22.944,1117 2.696,1118 13.221,1119 17.357,1121 26.795,1122 12.925,1123 1,1124 2.654,1125 24.637,1126 2.148,1127 14.259,1128 18.816,1129 0.217,1130 28.84,1131 13.938,1132 0.608,1133 2.136,1134 26.331,1135 1.781,1136 15.181,1137 19.977,1139 30.842,1140 14.838,1141 2140,1142 3675,1143 11.614,1144 19.273,1145 24.392,1146 24.421,1147 24.529,1148 23.975,1149 24.038,1150 33.588,1151 1.72,1152 60.85,1153 23.016,1154 4.718,1155 4.892,1156 5.399,1157 4.715,1158 4.704,1159 6.724,1160 1.72,1161 13.27,1162 4.586,1163 4.845,1164 1.435,1165 1.437,1166 1.443,1167 1.41,1168 1.414,1169 1.976,1170 0.101,1171 3.579,1172 1.354,1173 3.95,1174 3.983,1175 3.897,1176 3.866,1177 4.983,1178 3.868,1179 3.812,1180 3.85,1181 3.757,1182 3.699,1183 4.894,1184 3.708,1185 3.33,1186 3.379,1187 3.219,1188 3.164,1189 4.48,1190 3.17,1191 3.156,1192 3.236,1193 2.981,1194 2.897,1195 4.238,1196 2.9,1197 2.854,1198 2.925,1199 2.687,1200 2.735,1201 3.709,1202 2.715,1203 2.707,1204 2.776,1205 2.595,1206 2.567,1207 3.674,1208 2.558,1209 2.691,1210 2.773,1211 2.519,1212 2.477,1213 3.506,1214 2.486,1215 2.394,1216 2.49,1217 2.212,1218 2.194,1219 3.242,1220 2.19,1221 0.242,1222 0.17,1223 0.329,1224 0.216,1225 0.159,1226 4.109,1227 0.219,1228 2.892,1229 0.051,1230 5.597,1231 0.454,1232 3.678,1233 0.155,1234 2.704,1235 3.724,1236 0.86,1237 7.716,1238 2.639,1239 1.911,1240 1.883,1241 2.013,1242 2.018,1243 1.073,1244 2.018,1245 1.777,1246 1.743,1247 1.884,1248 1.917,1249 0.915,1250 1.909,1251 1.29,1252 1.242,1253 1.579,1254 1.535,1255 0.581,1256 1.549,1257 1.129,1258 1.044,1259 1.417,1260 1.372,1261 0.429,1262 1.391,1263 0.886,1264 0.821,1265 1.181,1266 1.062,1267 0.218,1268 1.107,1269 0.711,1270 0.648,1271 0.98,1272 0.915,1273 0.05,1274 0.937,1275 0.653,1276 0.571,1277 0.938,1278 0.89,1280 0.913,1281 0.392,1282 0.3,1283 0.748,1284 0.658,1286 0.696,1287 3.555,1289 4.779,1291 6.209,1293 7.721,1295 9.27,1297 1.632,1306 5.1,1314 18.392,1315 41.481,1316 82.567,1317 107.096,1318 119.851,1319 121.851,1320 121.851,1321 14.713,1322 5.762,1323 35.01,1324 35.01,1325 12,1326 11.373,1327 3.807,1328 3,1329 26.123,1330 46,1331 38,1332 0.284,1333 117.777,1334 199.25,1335 279.136,1336 1982,1338 11.217,1339 0.701,1340 0.562,1341 11.217,1342 8.999,1343 7.881,1344 0.464,1345 0.291,1346 4.878,1347 7.575,1348 4.722,1349 3.994,1350 7.881,1351 4.955,1352 6.388,1353 0.304,1354 0.156,1355 6.388,1356 3.272,1357 5.177,1358 0.207,1359 0.086,1360 5.177,1361 2.144,1362 3.983,1363 0.137,1364 0.045,1365 3.983,1366 1.305,1367 3.154,1368 0.093,1369 0.025,1370 3.154,1371 0.834,1372 0.445,1373 49.403,1374 0.293,1375 16.538,1376 0.771,1377 76,1378 235.026,1379 81.654,1380 228.974,1381 311.09,1382 216,1383 84,1384 221.771,1385 89.711,1386 229.836,1387 322.54,1388 213,1389 5.1}
{0 CHEMBL1972576,1 1.735,2 13.967,3 2.729,4 7.446,5 117.735,6 8.719,7 0.667,8 3.994,9 4.11,10 3.724,11 3.59,12 5.229,13 3.571,14 4.444,15 4.582,16 4.094,17 3.959,18 5.713,19 3.918,20 4.652,21 4.818,22 4.098,23 4.033,24 5.865,25 3.982,26 4.729,27 4.933,28 4.11,29 3.956,30 5.975,31 3.901,32 4.648,33 4.86,34 3.876,35 3.81,36 6.004,37 3.751,38 4.433,39 4.62,40 3.757,41 3.73,42 5.679,43 3.685,44 4.399,45 4.591,46 3.759,47 3.791,48 5.556,49 3.691,50 4.421,51 4.624,52 3.597,53 3.694,54 5.582,55 3.606,56 0.1,57 0.77,58 7.777,59 3.844,60 11.4,61 4.243,62 0.315,63 1.182,64 15.017,65 6.673,66 26.622,67 7.885,68 0.292,69 1.373,70 18.355,71 7.816,72 36.801,73 8.908,74 0.38,75 1.43,76 26.234,77 8.931,78 41.091,79 10.745,80 0.619,81 1.236,82 26.006,83 8.689,84 83.355,85 9.993,86 0.417,87 1.027,88 17.169,89 6.1,90 59.491,91 6.478,92 0.273,93 1.029,94 18.017,95 7.464,96 28.381,97 9.149,98 0.331,99 1.036,100 18.484,101 6.631,102 45.878,103 7.574,104 17,105 46,106 0.289,107 0.628,108 0.723,109 0.784,110 0.824,111 0.845,112 3.44,113 0.901,114 -3.77,115 -3.74,116 -3.55,119 43.8,120 1,142 8,143 3,144 3,147 1,148 1,151 1,158 1,159 1,161 1,163 1,164 1,165 1,172 8,174 1,175 4,177 1,178 4,179 1,180 8,183 10,185 1,188 3,193 8,196 6,198 1,200 8,202 1,203 1,205 7,208 2,210 1,212 2,213 6,215 1,216 3,217 2,218 5,220 1,221 4,225 1,230 1,233 8,238 5,241 2,242 1,243 4,246 10,248 2,250 4,255 3,258 6,260 2,263 1,264 1,267 1,269 4,272 4,276 1488,277 20.17,278 20.17,279 20.17,280 20.17,281 20.17,282 17.222,283 24.83,284 11.854,285 20.632,286 16.288,287 16.288,288 16.288,289 16.288,290 16.288,291 11.872,292 32.993,293 5.66,294 17.016,295 3.85,296 1.814,297 1.245,298 0.881,299 0.641,300 0.516,301 4.135,305 1,306 1,307 914,308 3.606,311 75.544,312 313.012,315 141.027,319 2.307,320 31.123,323 1,324 1,325 1,326 0.4,328 0.83,329 0.5,330 0.68,331 65,332 419,333 4.659,334 3.621,335 6.87,336 4.184,337 3.22,338 4.613,339 1.656,340 11.41,341 3.108,342 4.1,343 3.562,344 5.784,345 3.718,346 2.749,347 3.671,348 1.058,349 7.918,350 2.661,351 4.025,352 3.033,353 5.599,354 3.618,355 2.642,356 3.62,357 0.247,358 7.648,359 2.58,360 3.817,361 2.711,362 5.43,363 3.441,364 2.466,365 3.182,367 7.139,368 2.391,369 3.635,370 2.654,371 5.188,372 3.244,373 2.256,374 2.936,376 6.425,377 2.217,378 3.426,379 2.272,380 5.033,381 3.031,382 2.063,383 2.807,385 5.83,386 1.997,387 3.395,388 2.216,389 4.941,390 2.859,391 1.983,392 2.694,394 5.674,395 1.745,396 3.186,397 2.087,398 4.559,399 2.747,400 1.748,401 2.376,403 4.77,404 1.707,405 2.936,406 1.757,407 4.205,408 2.38,409 1.425,410 2.084,412 3.576,413 1.349,414 2.522,415 1.14,416 3.757,417 2,418 1.016,419 1.502,421 2.574,422 1,423 2.5,424 1,425 3.414,426 2,427 1,428 1.5,430 2.275,431 1,432 2.5,433 1,434 3.414,435 1.943,436 1,437 1.5,439 2.275,440 0.926,441 2.154,442 0.827,443 3.304,444 1.549,445 0.707,446 0.988,448 1.746,449 0.581,450 1.504,451 0.793,452 2.988,453 1.207,454 0.251,455 0.295,457 0.624,458 0.238,459 1.393,460 0.628,461 2.678,462 1.03,463 0.032,464 0.041,466 0.073,467 0.032,468 14.4,469 0.48,470 0.767,471 0.026,472 44.75,473 1.492,474 25,475 0.833,476 19.75,477 0.658,478 20.449,479 0.682,480 30.6,481 0.638,482 33.56,483 1.119,484 8.856,485 0.295,486 5.635,487 0.188,488 0.109,490 0.347,496 0.854,497 1.115,498 0.718,499 0.798,500 0.681,501 0.757,502 0.459,503 1.021,504 0.807,505 0.981,506 0.501,507 0.91,508 1.139,509 1.214,510 0.924,511 1.008,512 1.031,513 1.065,514 1.027,515 1.252,516 0.914,517 1.193,518 1.027,519 1.053,520 1.272,521 0.786,522 1.067,523 0.948,524 1.456,525 0.927,526 1.788,527 0.77,528 1.018,529 0.682,530 1.846,531 0.838,532 0.497,533 1.005,534 0.979,535 1.1,536 0.548,537 1.062,538 1.292,539 1.045,540 1.218,541 1.05,542 1.261,543 1.128,544 6.5,545 0.107,546 3.111,547 2.063,548 1.908,549 0.639,550 0.737,551 0.243,552 0.264,553 0.225,554 13878,555 41690,556 2.087,557 37.5,558 3,559 8,560 1,561 1,562 5,567 1.721,568 1.957,569 3.724,570 2.452,572 1,577 83.271,578 1.735,579 3.771,580 4.34,581 4.704,582 4.944,583 5.069,584 3.244,585 4.482,586 4.879,587 3.93,588 1709.46,589 8.468,590 25225.1,592 1,594 1,595 268.078,596 1.4,597 4.839,598 0.197,599 0.005,600 0.068,601 0.046,602 0.047,603 0.018,604 0.023,605 0.008,606 0.01,607 0.01,608 0.431,609 0.17,610 1,611 0.551,612 158.16,613 -0.151,614 0.004,615 0.024,616 0.102,617 -0.13,618 0.082,619 0.296,620 0.053,621 0.062,622 -0.012,623 0.126,624 -0.01,625 -0.193,626 -0.193,627 -0.098,628 -0.108,629 -0.134,630 -0.161,631 0.015,632 -0.281,633 0.114,634 -0.201,635 0.027,636 -0.069,637 0.094,638 0.153,639 -0.017,640 0.035,641 0.086,642 0.057,643 -0.434,644 0.213,645 -0.137,646 0.213,647 -0.354,648 0.07,649 0.205,650 -0.055,651 0.017,652 -0.054,653 0.119,654 -0.03,655 -0.282,656 -0.066,657 -0.265,658 -0.094,659 -0.237,660 -0.162,661 2.018,662 5.636,663 0.7,664 33.333,665 1.013,666 1.121,667 2.543,668 6.469,669 0.712,670 3.526,671 3.85,672 4.094,673 4.357,674 4.533,675 4.5,676 4.595,677 4.673,678 4.673,679 4.762,680 8.107,681 0.686,682 418.52,683 3.526,684 5.069,685 5.911,686 6.786,687 7.643,688 8.519,689 9.384,690 10.262,691 11.133,692 12.013,693 12.5,697 1,700 3,703 2,708 2,709 10,710 2,713 1,714 6,716 22,723 1,727 1,735 48,737 24,738 2,739 33,741 51,742 21,743 18,744 4,745 8,746 1,748 4,749 5,753 1,754 1,762 20,763 1,767 2,772 2,776 2,780 1,783 18,784 8,785 5,786 9,787 1,792 6,797 0.75,798 2,810 1,815 1,816 3,819 1,843 3,845 1,847 1,851 30,852 1,860 3,869 1,874 4.2,877 2,881 15.333,882 8.817,883 6.528,884 2.567,886 4.005,887 1.52,888 1.027,889 5.813,890 11.709,891 3.85,892 4.48,893 5.059,894 5.667,895 6.16,896 6.32,897 6.646,898 7.004,899 7.06,900 7.388,901 1,902 45,903 11.042,905 4.731,906 7.9,907 20.571,909 16.595,911 2.4,912 72,915 1,916 153.024,917 161.02,918 120.5,920 50.29,922 31.278,923 129.743,924 203.314,925 120.5,926 8.825,927 54.032,928 116.356,929 100.654,930 25.833,931 18.375,932 160.76,934 153.024,935 250.243,936 50.29,937 31.278,939 153.024,940 50.29,943 71.793,944 144.879,945 33.571,946 31.278,947 153.024,948 170.79,949 161.02,952 153.024,953 60.117,954 100.903,955 54.032,956 116.758,957 153.024,958 170.79,959 161.02,961 0.584,962 0.335,963 0.182,964 0.099,965 22,966 10,967 0.078,968 4,969 1,970 1.095,971 4.278,972 257.362,973 0.095,974 21,975 135.207,977 1,981 20.106,982 8.674,983 4.709,984 1.206,985 170.79,986 17.39,987 8.077,990 1.331,991 3.686,993 86.929,994 484.835,995 46,1000 24.763,1004 -0.656,1007 48.643,1008 53.82,1009 0.311,1010 0.675,1011 0.777,1012 0.842,1013 0.885,1014 0.908,1015 5.072,1016 1.748,1017 5.894,1018 5.674,1019 4.533,1020 5.168,1021 2.084,1022 6.683,1023 4.453,1024 6.294,1025 1.425,1026 7.439,1027 4.77,1028 4.111,1029 4.987,1030 1.195,1031 7.538,1032 4.028,1033 7.603,1034 1.016,1035 9.08,1036 3.576,1037 6.107,1038 7.4,1039 2.617,1040 10.635,1041 5.961,1042 8.947,1043 1,1044 10.778,1045 2.574,1046 6.479,1047 8.044,1048 2.324,1049 12.375,1050 6.323,1051 10.32,1052 1,1053 12.517,1054 2.275,1055 7.954,1056 9.936,1057 3.348,1058 15.012,1059 7.748,1060 11.715,1061 0.707,1062 14.285,1063 2.275,1064 8.71,1065 11.002,1066 3.407,1067 17.157,1068 8.483,1069 13.13,1070 0.251,1071 16.079,1072 1.746,1073 9.975,1074 12.674,1075 4.204,1076 19.649,1077 9.706,1078 3.22,1079 0.032,1080 17.893,1081 0.624,1082 10.927,1083 13.967,1084 4.464,1085 21.969,1086 10.629,1087 2.749,1088 11.41,1089 19.726,1090 0.073,1091 12.108,1092 15.545,1093 5.132,1094 24.418,1095 11.772,1096 2.642,1097 7.918,1098 21.573,1099 4.613,1100 13.161,1101 16.955,1102 5.504,1103 26.808,1104 12.791,1105 2.466,1106 7.648,1107 23.434,1108 3.671,1109 14.314,1110 18.495,1111 6.1,1112 29.245,1113 13.907,1114 2.256,1115 7.139,1116 25.306,1117 3.62,1118 15.418,1119 19.964,1120 6.531,1121 31.662,1122 14.974,1123 2.063,1124 6.425,1125 27.188,1126 3.182,1127 16.566,1128 21.492,1129 7.087,1130 34.097,1131 16.085,1132 1.983,1133 5.83,1134 29.078,1135 2.936,1136 17.696,1137 22.99,1138 7.551,1139 36.524,1140 17.178,1141 13053,1142 22847,1143 22.076,1144 34.159,1145 49.685,1146 51.191,1147 50.911,1148 49.085,1149 49.116,1150 67.618,1151 5.923,1152 139.916,1153 47.065,1154 5.532,1155 5.621,1156 6.414,1157 5.293,1158 5.22,1159 7.613,1160 2.912,1161 18.549,1162 5.108,1163 14.679,1164 1.506,1165 1.551,1166 1.543,1167 1.487,1168 1.488,1169 2.049,1170 0.179,1171 4.24,1172 1.426,1173 4.07,1174 4.089,1175 4.321,1176 4.046,1177 7.432,1178 4.005,1179 3.947,1180 3.981,1181 3.899,1182 3.868,1183 7.428,1184 3.865,1185 3.886,1186 3.919,1187 3.828,1188 3.818,1189 5.216,1190 3.815,1191 3.489,1192 3.539,1193 3.448,1194 3.225,1195 4.786,1196 3.27,1197 3.387,1198 3.433,1199 3.431,1200 3.167,1201 4.75,1202 3.192,1203 3.162,1204 3.232,1205 3.289,1206 3.017,1207 4.734,1208 2.99,1209 3.084,1210 3.15,1211 2.963,1212 2.892,1213 4.274,1214 2.883,1215 2.961,1216 3.057,1217 2.841,1218 2.735,1219 4.085,1220 2.715,1221 0.141,1222 0.11,1223 0.208,1224 0.127,1225 0.098,1226 4.659,1227 0.14,1228 3.621,1229 0.05,1230 6.87,1231 0.346,1232 4.184,1233 0.094,1234 3.22,1235 4.613,1236 1.656,1237 11.41,1238 3.108,1239 1.921,1240 1.891,1241 2.039,1242 2.037,1243 1.131,1244 2.034,1245 1.894,1246 1.865,1247 1.999,1248 1.997,1249 1.084,1250 2,1251 1.805,1252 1.778,1253 1.839,1254 1.948,1255 0.949,1256 1.928,1257 1.472,1258 1.467,1259 1.566,1260 1.666,1261 0.625,1262 1.633,1263 1.327,1264 1.273,1265 1.471,1266 1.558,1267 0.616,1268 1.554,1269 1.128,1270 1.065,1271 1.326,1272 1.362,1273 0.319,1274 1.386,1275 0.974,1276 0.934,1277 1.181,1278 1.282,1279 0.218,1280 1.275,1281 0.886,1282 0.821,1283 1.181,1284 1.125,1285 0.218,1286 1.142,1287 4.205,1289 5.525,1290 2.398,1291 7.029,1292 4.727,1293 8.617,1294 6.862,1295 10.249,1297 1.98,1301 5.891,1305 8.331,1314 32.906,1315 83.271,1316 180.985,1317 208.304,1318 225.814,1319 237.323,1320 243.323,1321 52.576,1322 7.704,1323 122.03,1324 150.27,1325 23,1326 12.551,1327 4.644,1328 3.807,1329 47.503,1330 149,1331 148,1332 0.154,1333 207.396,1334 349.23,1335 497.807,1336 26908,1338 21.087,1339 0.703,1340 0.56,1341 21.441,1342 16.787,1343 14.491,1344 0.439,1345 0.3,1346 8.989,1347 13.539,1348 8.689,1349 7.25,1350 14.945,1351 9.911,1352 13.289,1353 0.289,1354 0.161,1355 13.84,1356 7.423,1357 10.81,1358 0.183,1359 0.089,1360 11.484,1361 5.241,1362 9.125,1363 0.119,1364 0.048,1365 10.011,1366 3.726,1367 7.255,1368 0.079,1369 0.026,1370 7.984,1371 2.368,1372 0.252,1373 95.065,1374 0.213,1375 29.084,1376 0.397,1377 158,1378 487.933,1379 196.174,1380 501.03,1381 681.7,1382 466,1383 184,1384 488.208,1385 217.856,1386 512.436,1387 744.02,1388 480,1389 6.3}
{0 CHEMBL1972584,1 1.528,2 17.341,3 3.792,4 14.377,5 171.243,6 7.306,7 0.52,8 4.504,9 4.638,10 4.066,11 4.022,12 5.56,13 4.007,14 5.078,15 5.268,16 4.467,17 4.457,18 6.082,19 4.421,20 5.369,21 5.59,22 4.56,23 4.646,24 6.331,25 4.58,26 5.489,27 5.72,28 4.539,29 4.699,30 6.47,31 4.604,32 5.536,33 5.804,34 4.425,35 4.66,36 6.45,37 4.541,38 5.421,39 5.685,40 4.379,41 4.578,42 6.325,43 4.469,44 5.332,45 5.585,46 4.3,47 4.525,48 6.237,49 4.414,50 5.307,51 5.565,52 4.243,53 4.478,54 6.235,55 4.356,56 0.058,57 1.308,58 17.187,59 6.842,60 12.919,61 9.578,62 0.377,63 2.154,64 33.459,65 11.539,66 34.658,67 16.854,68 0.549,69 2.675,70 47.131,71 15.58,72 55.131,73 22.823,74 0.56,75 2.878,76 53.935,77 18.417,78 76.121,79 26.738,80 0.71,81 2.814,82 59.701,83 19.287,84 98.253,85 28.704,86 0.556,87 2.597,88 52.397,89 16.924,90 75.654,91 25.446,92 0.502,93 2.43,94 47.048,95 15.5,96 64.101,97 23.141,98 0.552,99 2.303,100 46.394,101 15.934,102 74.519,103 23.446,104 27,105 73,106 0.229,107 0.579,108 0.75,109 0.822,110 0.84,111 0.84,112 3.81,113 0.919,114 -5.14,115 -5.03,116 -4.71,119 40.7,120 1,121 4,124 1,125 4,127 2,142 9,143 3,144 1,146 1,147 1,148 1,152 2,158 2,161 1,163 1,164 1,165 1,166 1,172 11,174 3,175 14,177 1,178 2,180 3,183 12,185 1,187 3,188 12,191 1,193 3,196 10,199 2,200 14,202 3,203 3,205 3,208 5,210 1,212 2,213 17,218 4,221 6,223 2,224 1,225 13,228 1,230 7,233 10,235 4,237 1,238 6,241 1,243 2,246 17,248 2,249 2,250 4,253 2,254 1,257 1,258 15,263 4,264 4,266 1,267 1,269 2,272 7,276 4688,277 30.015,278 30.015,279 30.015,280 30.015,281 30.015,282 26.701,283 33.225,284 17.253,285 30.58,286 24.648,287 24.648,288 24.648,289 24.648,290 24.648,291 19.564,292 40.174,293 8.137,294 25.563,295 4.812,296 2.476,297 1.334,298 0.858,299 0.735,300 0.735,301 4.53,307 1709,308 3.808,311 213.012,312 693.538,315 406.52,319 3.175,320 38.678,323 0.5,324 0.5,325 0.67,326 0.6,327 0.5,328 0.67,329 1,330 0.63,331 94.5,332 763,333 4.761,334 3.67,335 7.049,336 4.308,337 3.345,338 4.731,339 1.94,340 12.141,341 3.222,342 4.647,343 3.622,344 6.78,345 4.182,346 3.217,347 4.587,348 1.058,349 11.057,350 3.106,351 4.097,352 3.387,353 6.26,354 3.865,355 2.916,356 3.693,357 0.8,358 9.325,359 2.772,360 3.968,361 3.102,362 6.142,363 3.716,364 2.747,365 3.319,366 0.555,367 9.009,368 2.655,369 3.901,370 3.046,371 5.933,372 3.632,373 2.662,374 3.23,376 8.218,377 2.576,378 3.843,379 2.795,380 5.888,381 3.525,382 2.559,383 3.06,385 8.069,386 2.477,387 3.716,388 2.622,389 5.806,390 3.435,391 2.46,392 2.975,394 7.822,395 2.381,396 3.584,397 2.327,398 5.334,399 3.173,400 2.203,401 2.797,403 6.765,404 2.133,405 3.249,406 2.294,407 5.07,408 2.893,409 1.942,410 2.549,412 5.666,413 1.842,414 3.173,415 2.059,416 4.954,417 2.775,418 1.808,419 2.298,421 5.292,422 1.74,423 3.033,424 1.977,425 4.481,426 2.578,427 1.601,428 2.265,430 4.373,431 1.555,432 2.962,433 1.642,434 4.467,435 2.521,436 1.547,437 2.164,439 4.213,440 1.511,441 2.788,442 1.589,443 4.23,444 2.437,445 1.463,446 1.796,448 3.582,449 1.412,450 2.639,451 1.536,452 4.122,453 2.149,454 1.171,455 1.654,457 3.146,458 1.135,459 2.544,460 1.313,461 3.726,462 2.133,463 1.148,464 1.538,466 2.793,467 1.124,468 20.767,469 0.472,470 1.148,471 0.026,472 56.25,473 1.278,474 26,475 0.591,476 30.25,477 0.688,478 44.931,479 1.021,480 47.033,481 0.581,482 48.23,483 1.096,484 10.709,485 0.243,486 10.66,487 0.242,488 0.1,490 0.39,496 0.773,497 1.426,498 0.79,499 1.115,500 0.614,501 0.974,502 0.812,503 1.151,504 0.847,505 0.958,506 0.493,507 0.905,508 1.058,509 1.047,510 0.993,511 0.968,512 0.85,513 0.965,514 1.025,515 1.107,516 1.077,517 1.139,518 0.987,519 1.121,520 1.073,521 0.933,522 0.995,523 0.933,524 1.084,525 0.953,526 0.956,527 0.966,528 0.96,529 0.937,530 0.844,531 0.943,532 0.959,533 0.99,534 1.059,535 1.007,536 0.881,537 1.033,538 0.834,539 0.941,540 1,541 1.023,542 0.922,543 1.035,544 8,545 0.337,546 6,547 3.868,548 2.807,549 1.751,550 1.139,551 0.702,552 0.453,553 0.469,554 39724,555 93947,556 2.162,557 45.7,559 22,561 1,562 3,563 3,564 8,567 1.82,568 2.031,569 4.016,570 0.718,577 123.784,578 1.528,579 3.864,580 5.006,581 5.482,582 5.605,583 5.605,584 3.519,585 5.05,586 5.425,587 4.262,588 4031.8,589 9.595,590 77162.3,595 513.528,596 1.387,597 5.396,598 0.16,599 0.006,600 0.082,601 0.05,602 0.038,603 0.027,604 0.018,605 0.012,606 0.008,607 0.009,608 0.411,609 0.17,610 0.75,611 0.605,612 258.613,613 -0.001,614 -0.187,615 0.072,616 -0.052,617 -0.026,618 0.007,619 0.087,620 0.005,621 0.079,622 0.042,623 0.108,624 0.057,625 -0.06,626 0.027,627 -0.03,628 0.018,629 -0.004,630 0.002,631 -0.037,632 -0.085,633 -0.107,634 -0.144,635 -0.003,636 -0.138,637 -0.065,638 0.005,639 0.012,640 0.05,641 -0.032,642 0.042,643 -0.051,644 0.007,645 0.032,646 0.041,647 -0.013,648 0.049,649 -0.093,650 0.015,651 -0.083,652 -0.023,653 -0.104,654 -0.045,655 0.043,656 0.025,657 -0.018,658 -0.024,659 -0.041,660 -0.031,661 1.833,662 6.123,663 0.818,664 69.483,665 0.999,666 1.132,667 3.906,668 15.257,669 0.662,670 3.932,671 4.304,672 4.644,673 4.949,674 5.209,675 5.357,676 5.537,677 5.694,678 5.832,679 6.014,680 10.025,681 0.63,682 591.79,683 3.932,684 5.509,685 6.395,686 7.299,687 8.2,688 9.11,689 10.017,690 10.93,691 11.841,692 12.756,693 11.1,696 1,697 1,700 2,701 2,703 3,708 4,709 10,710 3,714 5,715 2,716 26,723 1,727 1,735 81,737 28,738 2,739 50,741 87,742 33,743 19,744 4,745 8,746 1,748 7,749 9,754 1,757 6,760 6,762 21,763 12,767 2,772 2,776 2,783 37,784 9,785 3,786 11,792 9,797 0.714,798 2,807 1,810 1,811 1,815 2,816 5,819 2,830 1,839 1,843 5,847 2,851 44,852 1,858 8,860 1,863 2,864 2,874 2.5,877 2,881 21.667,882 15.067,883 9.417,884 5.062,886 5.144,887 1.531,888 1.023,889 7.771,890 14.838,891 4.19,892 4.828,893 5.472,894 6.112,895 6.664,896 7.054,897 7.496,898 7.945,899 8.206,900 8.563,901 0.917,902 78,903 16.34,905 7.162,906 7.648,907 31.719,909 27.269,911 2.148,912 94.5,916 400.217,917 161.886,918 111.066,920 50.29,923 161.886,924 450.507,925 111.066,926 17.222,927 39.696,928 118.183,929 123.42,930 29.264,931 7.229,932 388.446,934 400.217,935 272.952,936 50.29,939 306.049,940 144.459,943 68.412,944 154.306,945 50.234,947 400.217,948 161.356,949 161.886,952 400.217,953 50.759,954 121.051,955 18.011,956 133.421,957 400.217,958 161.356,959 161.886,961 0.594,962 0.359,963 0.197,964 0.107,965 38,966 17,967 0.057,968 5,969 2,970 1.111,971 5.336,972 476.148,973 0.111,974 36,975 222.215,981 28.814,982 11.866,983 5.472,984 3.538,985 157.68,986 19.034,987 13.966,991 3.32,992 3.949,993 50.908,994 723.459,995 65,1000 24.854,1004 -0.003,1007 80.941,1008 91.716,1009 0.241,1010 0.609,1011 0.79,1012 0.865,1013 0.884,1014 0.884,1015 5.462,1016 2.203,1017 6.399,1018 7.822,1019 4.99,1020 5.517,1021 2.388,1022 7.262,1023 4.92,1024 6.679,1025 1.942,1026 7.991,1027 6.765,1028 4.635,1029 5.414,1030 1.738,1031 8.258,1032 4.522,1033 8.005,1034 1.808,1035 9.684,1036 5.666,1037 6.637,1038 7.773,1039 3.11,1040 11.394,1041 6.492,1042 9.367,1043 1.601,1044 11.436,1045 5.292,1046 7.116,1047 8.552,1048 3.144,1049 13.237,1050 6.926,1051 10.765,1052 1.547,1053 13.225,1054 4.373,1055 8.588,1056 10.399,1057 4.18,1058 15.899,1059 8.367,1060 12.189,1061 1.463,1062 15.041,1063 4.213,1064 9.44,1065 11.592,1066 4.541,1067 18.094,1068 9.175,1069 13.635,1070 1.171,1071 16.877,1072 3.582,1073 10.712,1074 13.245,1075 5.397,1076 20.609,1077 10.415,1078 3.345,1079 1.148,1080 18.728,1081 3.146,1082 11.737,1083 14.632,1084 5.912,1085 22.957,1086 11.398,1087 3.217,1088 12.141,1089 20.59,1090 2.793,1091 12.936,1092 16.21,1093 6.674,1094 25.431,1095 12.563,1096 2.916,1097 11.057,1098 22.463,1099 4.731,1100 14.041,1101 17.684,1102 7.263,1103 27.848,1104 13.628,1105 2.747,1106 9.325,1107 24.344,1108 4.587,1109 15.218,1110 19.236,1111 7.977,1112 30.314,1113 14.77,1114 2.662,1115 9.009,1116 26.232,1117 3.693,1118 16.361,1119 20.747,1120 8.602,1121 32.763,1122 15.874,1123 2.559,1124 8.218,1125 28.126,1126 3.319,1127 17.535,1128 22.291,1129 9.292,1130 35.232,1131 17.012,1132 2.46,1133 8.069,1134 30.026,1135 3.23,1136 18.698,1137 23.819,1138 9.936,1139 37.696,1140 18.137,1141 36069,1142 55703,1143 33.926,1144 53.62,1145 77.435,1146 78.695,1147 79.458,1148 76.795,1149 76.738,1150 98.909,1151 8.708,1152 229.93,1153 74.169,1154 5.761,1155 5.67,1156 6.73,1157 5.382,1158 5.345,1159 7.731,1160 3.348,1161 19.668,1162 5.222,1163 21.43,1164 1.549,1165 1.574,1166 1.589,1167 1.536,1168 1.535,1169 1.978,1170 0.174,1171 4.599,1172 1.483,1173 4.172,1174 4.215,1175 4.142,1176 4.062,1177 7.431,1178 4.074,1179 4.115,1180 4.154,1181 4.087,1182 3.993,1183 7.427,1184 4.011,1185 3.916,1186 3.976,1187 3.819,1188 3.791,1189 5.256,1190 3.79,1191 3.847,1192 3.888,1193 3.787,1194 3.709,1195 4.919,1196 3.723,1197 3.728,1198 3.788,1199 3.62,1200 3.557,1201 4.877,1202 3.564,1203 3.526,1204 3.568,1205 3.458,1206 3.386,1207 4.707,1208 3.397,1209 3.431,1210 3.494,1211 3.328,1212 3.204,1213 4.479,1214 3.219,1215 3.299,1216 3.382,1217 3.206,1218 3.054,1219 4.371,1220 3.086,1221 0.095,1222 0.073,1223 0.141,1224 0.086,1225 0.067,1226 4.761,1227 0.095,1228 3.67,1229 0.039,1230 7.049,1231 0.243,1232 4.308,1233 0.064,1234 3.345,1235 4.731,1236 1.94,1237 12.141,1238 3.222,1239 1.942,1240 1.916,1241 2.106,1242 2.103,1243 1.509,1244 2.104,1245 1.933,1246 1.907,1247 2.033,1248 2.039,1249 1.258,1250 2.033,1251 1.918,1252 1.864,1253 2.021,1254 2.021,1255 1.153,1256 2.024,1257 1.774,1258 1.723,1259 1.94,1260 1.984,1261 1.138,1262 1.97,1263 1.702,1264 1.645,1265 1.811,1266 1.894,1267 0.918,1268 1.882,1269 1.623,1270 1.581,1271 1.761,1272 1.808,1273 0.869,1274 1.798,1275 1.39,1276 1.328,1277 1.665,1278 1.649,1279 0.825,1280 1.646,1281 1.275,1282 1.206,1283 1.513,1284 1.539,1285 0.825,1286 1.523,1287 4.615,1289 5.974,1290 3.045,1291 7.528,1292 5.533,1293 9.165,1294 7.751,1295 10.847,1297 3.553,1301 6.397,1303 7.639,1305 3.025,1308 0.743,1309 4.484,1314 50.997,1315 123.784,1316 312.985,1317 405.489,1318 444.018,1319 454.018,1320 454.018,1321 76.793,1322 9.695,1323 127.2,1324 127.2,1325 40,1326 13.269,1327 4.858,1328 4,1329 60.48,1330 259,1331 285,1332 0.109,1333 306.649,1334 520.7,1335 739.983,1336 298050,1338 30.371,1339 0.69,1340 0.571,1341 30.371,1342 25.109,1343 21.368,1344 0.427,1345 0.306,1346 15.105,1347 20.542,1348 14.764,1349 12.146,1350 21.368,1351 15.316,1352 19.767,1353 0.271,1354 0.163,1355 19.767,1356 11.934,1357 17.611,1358 0.171,1359 0.091,1360 17.611,1361 9.407,1362 15.15,1363 0.108,1364 0.05,1365 15.15,1366 6.935,1367 12.413,1368 0.068,1369 0.027,1370 12.413,1371 4.962,1372 0.177,1373 133.687,1374 0.172,1375 39.308,1376 0.286,1377 246,1378 642.632,1379 269.162,1380 627.724,1381 879.59,1382 590,1383 299,1384 674.27,1385 324.247,1386 680.547,1387 1005.77,1388 643,1389 5.5}
{0 CHEMBL1972659,1 1.408,2 11.111,3 4.607,4 21.228,5 107.157,6 7.316,7 0.567,8 3.98,9 4.092,10 3.534,11 3.599,12 5.09,13 3.56,14 4.493,15 4.649,16 3.888,17 4.005,18 5.54,19 3.94,20 4.777,21 4.966,22 3.994,23 4.152,24 5.842,25 4.072,26 4.833,27 5.04,28 3.885,29 4.113,30 5.846,31 4.008,32 4.85,33 5.097,34 3.763,35 3.984,36 5.85,37 3.866,38 4.724,39 4.987,40 3.614,41 3.746,42 5.826,43 3.651,44 4.482,45 4.731,46 3.445,47 3.579,48 5.603,49 3.5,50 4.289,51 4.504,52 3.379,53 3.589,54 5.33,55 3.501,56 0.067,57 0.655,58 9.908,59 4.681,60 8.881,61 6.015,62 0.108,63 1.071,64 17.608,65 8.014,66 15.292,67 10.723,68 0.231,69 1.398,70 25.115,71 10.253,72 37.815,73 13.714,74 0.206,75 1.485,76 27.12,77 10.565,78 34.519,79 14.295,80 0.232,81 1.481,82 29.257,83 10.666,84 41.967,85 14.778,86 0.359,87 1.278,88 27.13,89 8.846,90 61.139,91 12.121,92 0.354,93 0.994,94 21.222,95 6.824,96 55,97 9.082,98 0.183,99 0.819,100 16.267,101 6.259,102 31.385,103 8.249,104 10,105 42,106 0.236,107 0.586,108 0.754,109 0.851,110 0.884,111 0.898,112 3.34,113 0.927,114 -5.65,115 -5.52,116 -5.15,119 46.9,120 1,121 4,142 9,143 6,144 1,157 1,158 1,168 1,172 20,175 3,178 1,180 3,183 26,187 1,188 5,193 6,196 25,200 6,205 7,208 15,213 8,218 7,221 7,225 9,228 1,230 5,233 5,238 7,242 1,243 1,246 10,250 2,258 16,267 1,269 1,272 22,276 1023,277 18.413,278 18.413,279 18.413,280 18.413,281 18.413,282 15.894,283 16.025,284 10.834,285 18.492,286 14.787,287 14.787,288 14.787,289 14.787,290 14.787,291 11.043,292 17.39,293 5.099,294 14.901,295 4.207,296 2.12,297 1.118,298 0.536,299 0.342,300 0.26,301 4.04,305 1,306 1,307 660,308 3.162,312 270.95,316 231.321,319 1.523,320 22.33,322 1,323 0.75,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.86,331 57,332 300,333 4.525,334 3.623,335 6.743,336 4.161,337 3.17,338 4.432,339 1.969,340 10.929,341 3.141,342 4.498,343 3.388,344 6.513,345 4.042,346 3.041,347 4.212,348 0.782,349 10.232,350 3.043,351 3.926,352 3.048,353 5.935,354 3.545,355 2.57,356 3.305,357 0.219,358 8.109,359 2.504,360 3.697,361 2.916,362 5.334,363 3.373,364 2.364,365 3.017,367 6.76,368 2.372,369 3.37,370 2.276,371 5.06,372 2.949,373 1.956,374 2.646,376 5.645,377 1.941,378 3.216,379 2.2,380 4.836,381 2.83,382 1.844,383 2.427,385 5.287,386 1.809,387 3.118,388 1.713,389 4.339,390 2.618,391 1.618,392 2.414,394 4.026,395 1.618,396 2.943,397 1.618,398 4.129,399 2.549,400 1.555,401 2.07,403 3.753,404 1.544,405 2.767,406 1.447,407 3.651,408 2.271,409 1.272,410 1.899,412 2.833,413 1.271,414 2.374,415 1.284,416 3.591,417 2.206,418 1.214,419 1.352,421 2.748,422 1.203,423 2.34,424 1.106,425 3.355,426 1.906,427 0.908,428 1.268,430 2.124,431 0.906,432 1.745,433 1.053,434 3.135,435 1.58,436 0.574,437 0.638,439 1.354,440 0.576,441 1.437,442 0.663,443 2.803,444 1.197,445 0.242,446 0.275,448 0.537,449 0.228,450 1.312,451 0.481,452 2.67,453 0.929,454 -0.082,455 -0.107,457 -0.203,458 -0.082,459 1.02,460 0.123,461 2.427,462 0.637,463 -0.35,464 -0.435,466 -0.876,467 -0.344,468 12.967,469 0.48,470 0.627,471 0.023,472 35.5,473 1.315,474 19.5,475 0.722,476 16,477 0.593,478 22.045,479 0.816,480 27.833,481 0.568,482 25.33,483 0.938,484 6.982,485 0.259,486 6.149,487 0.228,488 0.09,490 0.347,496 0.723,497 0.908,498 0.812,499 0.897,500 0.7,501 0.871,502 0.524,503 1.059,504 0.825,505 1.012,506 0.539,507 0.964,508 0.959,509 1.066,510 0.983,511 1.011,512 0.941,513 1.001,514 1.083,515 1.256,516 1.162,517 1.185,518 0.944,519 1.178,520 1.099,521 1.212,522 1.043,523 1.107,524 1.03,525 1.068,526 1.553,527 1,528 0.999,529 0.878,530 1.556,531 0.865,532 1.858,533 0.746,534 1.043,535 0.68,536 1.972,537 0.743,538 1.39,539 0.748,540 1.012,541 0.794,542 1.499,543 0.845,544 4.5,545 0.132,546 3.556,547 1.875,548 1.613,549 0.757,550 0.407,551 0.307,552 0.218,553 0.14,554 9522,555 22648,556 2.12,557 44.9,558 7,559 9,562 2,563 4,567 1.698,568 2,569 3.425,570 0.157,577 68.971,578 1.408,579 3.495,580 4.496,581 5.079,582 5.273,583 5.354,584 2.82,585 4.134,586 4.734,587 3.589,588 1259.74,589 8.195,590 16472.4,592 1,595 275.121,596 1.352,597 4.694,598 0.15,599 0.005,600 0.085,601 0.042,602 0.042,603 0.024,604 0.015,605 0.013,606 0.009,607 0.005,608 0.39,609 0.33,610 0.88,611 0.528,612 134.696,613 0.007,614 0.172,615 0.03,616 0.103,617 -0.052,618 0.071,619 0.107,620 -0.027,621 0.05,622 -0.011,623 0.05,624 0.007,625 -0.013,626 -0.043,627 -0.044,628 -0.034,629 -0.012,630 -0.043,631 -0.11,632 -0.227,633 -0.205,634 -0.228,635 -0.092,636 -0.228,637 -0.034,638 -0.209,639 -0.031,640 -0.159,641 -0.023,642 -0.104,643 -0.037,644 0.01,645 0.083,646 0.044,647 -0.003,648 0.074,649 -0.157,650 0.275,651 0.043,652 0.241,653 -0.147,654 0.181,655 -0.185,656 0.239,657 -0.019,658 0.182,659 -0.145,660 0.119,661 1.79,662 5.474,663 0.741,664 21.152,665 0.994,666 1.114,667 4.42,668 19.535,669 0.684,670 3.434,671 3.761,672 4.06,673 4.317,674 4.554,675 4.543,676 4.595,677 4.644,678 4.71,679 4.595,680 6.643,681 0.648,682 358.47,683 3.434,684 4.977,685 5.838,686 6.718,687 7.593,688 8.477,689 9.356,690 10.241,691 11.122,692 12.007,693 4.1,700 1,702 1,708 2,709 9,714 5,716 17,732 1,735 49,737 19,738 3,739 30,741 52,742 23,743 16,744 7,745 9,746 1,748 4,749 6,751 1,754 1,757 3,760 4,762 18,763 5,767 2,772 1,775 1,776 2,780 1,783 22,784 4,785 2,786 4,792 2,797 0.5,798 2,816 4,820 2,843 2,847 1,851 27,857 1,858 4,860 1,874 4.1,876 1,877 1,881 13.5,882 9.067,883 5.917,884 3.046,886 4.008,887 1.526,888 0.996,889 4.848,890 11.632,891 3.726,892 4.357,893 4.965,894 5.553,895 6.103,896 6.318,897 6.61,898 6.896,899 7.196,900 7.068,901 1,902 45,903 10.006,905 4.302,906 7.704,907 19.304,909 16.208,911 2.204,912 59.5,914 1,915 1,916 235.422,917 129.599,918 34.551,920 67.828,923 129.599,924 303.25,925 34.551,926 8.825,927 28.026,928 85.286,929 75.29,930 34.551,932 235.422,934 235.422,935 164.15,936 67.828,939 235.422,940 67.828,943 53.515,944 110.636,947 235.422,948 102.38,949 129.599,952 235.422,953 35.488,954 94.111,955 17.888,956 84.491,957 235.422,958 102.38,959 129.599,961 0.582,962 0.351,963 0.193,964 0.107,965 21,966 9,967 0.058,968 3,969 2,970 1.2,971 3.92,972 231.776,973 0.2,974 20,975 126.382,981 17.601,982 7.438,983 3.548,984 2.225,985 102.38,986 17.678,991 4.373,993 60.572,994 467.401,995 40.5,1000 12.474,1003 4.407,1004 0.757,1007 48.694,1008 54.567,1009 0.251,1010 0.622,1011 0.801,1012 0.905,1013 0.939,1014 0.954,1015 4.958,1016 1.555,1017 5.82,1018 4.026,1019 4.443,1020 5.043,1021 2.183,1022 6.642,1023 4.428,1024 6.177,1025 1.272,1026 7.387,1027 3.753,1028 4.007,1029 4.89,1030 1.593,1031 7.579,1032 3.983,1033 7.496,1034 1.214,1035 9.058,1036 2.833,1037 6.043,1038 7.295,1039 3.096,1040 10.703,1041 6.014,1042 8.852,1043 0.908,1044 10.792,1045 2.748,1046 6.447,1047 7.985,1048 3.123,1049 12.486,1050 6.41,1051 10.242,1052 0.574,1053 12.566,1054 2.124,1055 7.941,1056 9.861,1057 4.267,1058 15.126,1059 7.901,1060 11.655,1061 0.242,1062 14.368,1063 1.354,1064 8.74,1065 10.956,1066 4.586,1067 17.248,1068 8.692,1069 13.087,1070 -0.082,1071 16.189,1072 0.537,1073 10.014,1074 12.607,1075 5.533,1076 19.72,1077 9.963,1078 3.17,1079 -0.35,1080 18.026,1081 -0.203,1082 10.997,1083 13.9,1084 6.005,1085 21.982,1086 10.939,1087 3.041,1088 10.929,1089 19.873,1090 -0.876,1091 12.183,1092 15.452,1093 6.84,1094 24.392,1095 12.121,1096 2.57,1097 10.232,1098 21.729,1099 4.432,1100 13.249,1101 16.839,1102 7.398,1103 26.715,1104 13.182,1105 2.364,1106 8.109,1107 23.593,1108 4.212,1109 14.401,1110 18.347,1111 8.167,1112 29.102,1113 14.329,1114 1.956,1115 6.76,1116 25.461,1117 3.305,1118 15.505,1119 19.778,1120 8.774,1121 31.452,1122 15.428,1123 1.844,1124 5.645,1125 27.335,1126 3.017,1127 16.646,1128 21.267,1129 9.505,1130 33.831,1131 16.563,1132 1.618,1133 5.287,1134 29.212,1135 2.646,1136 17.768,1137 22.72,1138 10.141,1139 36.194,1140 17.679,1141 8927,1142 13880,1143 20.285,1144 33.534,1145 44.811,1146 46.204,1147 46.048,1148 44.633,1149 44.654,1150 59.912,1151 5.94,1152 128.676,1153 44.315,1154 5.471,1155 5.623,1156 6.432,1157 5.168,1158 5.17,1159 7.432,1160 3.473,1161 18.278,1162 5.141,1163 11.546,1164 1.494,1165 1.54,1166 1.535,1167 1.488,1168 1.488,1169 1.997,1170 0.198,1171 4.289,1172 1.477,1173 4.099,1174 4.121,1175 4.051,1176 4.059,1177 7.429,1178 4.054,1179 4.015,1180 4.041,1181 3.965,1182 3.957,1183 6.469,1184 3.955,1185 3.626,1186 3.672,1187 3.559,1188 3.468,1189 4.895,1190 3.475,1191 3.531,1192 3.578,1193 3.416,1194 3.421,1195 4.764,1196 3.412,1197 3.406,1198 3.457,1199 3.299,1200 3.251,1201 4.412,1202 3.259,1203 3.227,1204 3.295,1205 3.088,1206 3.098,1207 4.33,1208 3.086,1209 3.072,1210 3.156,1211 2.929,1212 2.901,1213 3.937,1214 2.904,1215 2.94,1216 3.001,1217 2.78,1218 2.769,1219 3.89,1220 2.759,1221 0.151,1222 0.121,1223 0.225,1224 0.139,1225 0.106,1226 4.525,1227 0.148,1228 3.623,1229 0.066,1230 6.743,1231 0.364,1232 4.161,1233 0.105,1234 3.17,1235 4.432,1236 1.969,1237 10.929,1238 3.141,1239 2.083,1240 2.065,1241 2.167,1242 2.137,1243 1.39,1244 2.148,1245 1.998,1246 1.976,1247 2.108,1248 2.085,1249 1.328,1250 2.093,1251 1.577,1252 1.533,1253 1.782,1254 1.772,1255 0.985,1256 1.762,1257 1.535,1258 1.49,1259 1.725,1260 1.689,1261 0.859,1262 1.706,1263 1.373,1264 1.327,1265 1.567,1266 1.558,1267 0.647,1268 1.569,1269 1.243,1270 1.179,1271 1.535,1272 1.428,1273 0.619,1274 1.468,1275 1.057,1276 0.985,1277 1.339,1278 1.296,1279 0.543,1280 1.316,1281 0.938,1282 0.873,1283 1.201,1284 1.136,1285 0.262,1286 1.165,1287 4.111,1289 5.434,1291 6.969,1293 8.604,1295 10.29,1297 1.927,1302 9.921,1303 3.013,1305 2.727,1314 31.74,1315 68.971,1316 171.253,1317 220.327,1318 248.856,1319 258.366,1320 262.366,1321 45.496,1322 7.624,1323 61.69,1324 61.69,1325 24,1326 12.54,1327 4.322,1328 3.524,1329 40.387,1330 111,1331 87,1332 0.178,1333 194.128,1334 337.5,1335 465.432,1336 24095,1338 18.803,1339 0.696,1340 0.568,1341 18.803,1342 15.327,1343 13.131,1344 0.438,1345 0.309,1346 9.212,1347 12.861,1348 8.955,1349 7.423,1350 13.131,1351 9.271,1352 11.75,1353 0.28,1354 0.167,1355 11.75,1356 6.998,1357 10.255,1358 0.18,1359 0.092,1360 10.255,1361 5.268,1362 8.492,1363 0.115,1364 0.051,1365 8.492,1366 3.809,1367 7.099,1368 0.076,1369 0.029,1370 7.099,1371 2.691,1372 0.284,1373 80.849,1374 0.222,1375 26.033,1376 0.478,1377 144,1378 369.863,1379 151.76,1380 367.708,1381 508,1382 344,1383 171,1384 378.118,1385 178.457,1386 386.997,1387 562.74,1388 366,1389 5.1}
{0 CHEMBL1972820,1 1.615,2 7.905,3 1.776,4 3.154,5 71.446,6 9.442,7 0.522,8 3.561,9 3.619,10 3.295,11 3.142,12 4.955,13 3.181,14 3.998,15 4.066,16 3.711,17 3.529,18 5.522,19 3.559,20 4.257,21 4.361,22 3.824,23 3.62,24 5.738,25 3.665,26 4.322,27 4.43,28 3.794,29 3.503,30 6.111,31 3.563,32 4.197,33 4.33,34 3.424,35 3.303,36 5.722,37 3.34,38 3.863,39 3.983,40 3.286,41 3.126,42 5.544,43 3.133,44 3.734,45 3.878,46 3.061,47 2.99,48 5.131,49 2.985,50 3.667,51 3.79,52 3.062,53 2.663,54 5.716,55 2.727,56 0.19,57 0.381,58 3.332,59 2.537,60 34.154,61 2.087,62 0.347,63 0.605,64 5.102,65 3.938,66 56.363,67 3.695,68 0.44,69 0.762,70 9.175,71 5.288,72 81.075,73 4.882,74 0.786,75 0.785,76 11.451,77 5.388,78 135.961,79 4.768,80 0.738,81 0.668,82 12.656,83 4.885,84 144.028,85 3.563,86 0.518,87 0.483,88 7.785,89 3.682,90 95.83,91 3.699,92 0.289,93 0.431,94 6.707,95 3.423,96 54.422,97 3.537,98 0.574,99 0.364,100 7.602,101 3.011,102 122.124,103 3.125,104 27,105 34,106 0.302,107 0.575,108 0.702,109 0.812,110 0.829,111 0.829,112 3.105,113 0.789,114 -3.77,115 -3.73,116 -3.55,119 50,142 7,143 3,144 2,158 3,167 1,170 1,172 8,173 1,174 2,175 7,178 1,180 3,183 9,184 1,188 8,193 2,194 1,196 4,197 2,199 1,200 13,203 2,204 1,205 3,208 4,213 4,214 1,221 6,224 1,225 2,228 3,230 2,233 8,239 2,243 2,246 4,247 2,249 2,250 2,253 2,255 4,258 2,259 2,264 2,269 2,273 2,276 514,277 13.828,278 13.828,279 13.828,280 13.828,281 13.828,282 12.046,283 14.19,284 7.85,285 13.924,286 11.281,287 11.281,288 11.281,289 11.281,290 11.281,291 8.478,292 17.04,293 3.638,294 11.424,295 3.291,296 1.827,297 1.147,298 0.558,299 0.467,300 0.467,301 3.776,304 1,305 1,306 1,307 353,308 2.646,311 41.046,312 115.058,315 81.114,319 1.166,320 41.771,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 47.5,332 166,333 4.636,334 3.982,335 7.078,336 4.342,337 3.36,338 4.195,339 1.437,340 12.132,341 3.299,342 4.323,343 3.61,344 6.364,345 3.936,346 2.949,347 3.964,348 1.349,349 9.538,350 2.903,351 3.813,352 3.256,353 6.047,354 3.454,355 2.478,356 3.189,357 0.8,358 8.487,359 2.408,360 3.441,361 2.822,362 5.491,363 3.066,364 2.026,365 2.65,367 6.426,368 2.093,369 3.317,370 2.473,371 4.959,372 2.872,373 1.885,374 2.563,376 5.278,377 1.847,378 3.05,379 2.194,380 4.528,381 2.596,382 1.616,383 2.215,385 4.169,386 1.568,387 2.726,388 1.477,389 3.687,390 2.263,391 1.272,392 1.803,394 2.912,395 1.256,396 2.602,397 1.35,398 3.631,399 2.088,400 1.083,401 1.578,403 2.647,404 1.078,405 2.48,406 1.261,407 3.618,408 1.942,409 0.914,410 1.387,412 2.21,413 0.934,414 1.569,415 1.053,416 3.045,417 1.069,418 0.025,419 0.035,421 0.063,422 0.026,423 1.08,424 0.484,425 2.363,426 0.671,427 -0.292,428 -0.37,430 -0.698,431 -0.275,432 0.926,433 0.121,434 2.343,435 0.463,436 -0.585,437 -0.833,439 -1.379,440 -0.606,441 0.678,442 -0.03,443 2.33,444 0.213,445 -0.784,446 -1.05,448 -2,449 -0.77,450 0.602,451 -0.488,452 2,453 0.126,454 -0.889,455 -1.322,457 -2.123,458 -0.904,459 0.421,460 -0.828,461 1.869,462 -0.013,463 -1,464 -1.396,466 -2.155,467 -0.975,468 9.567,469 0.456,470 0.669,471 0.032,472 31,473 1.476,474 17.5,475 0.833,476 13.5,477 0.643,478 11.906,479 0.567,480 21.633,481 0.721,482 23.797,483 1.133,484 6.412,485 0.305,486 3.591,487 0.171,488 0.174,490 0.46,496 0.787,497 1.006,498 0.645,499 0.812,500 0.728,501 0.71,502 0.461,503 1.083,504 0.612,505 0.964,506 0.523,507 0.893,508 0.9,509 1.196,510 0.792,511 1.113,512 0.871,513 0.965,514 0.989,515 1.116,516 1.003,517 1.091,518 0.942,519 1.058,520 1.673,521 0.777,522 1.472,523 0.8,524 1.689,525 0.959,526 0.708,527 0.807,528 0.964,529 0.921,530 0.877,531 1.025,532 0.868,533 1.116,534 1.023,535 1.242,536 0.893,537 1.216,538 0.778,539 0.953,540 0.874,541 1.061,542 0.71,543 1.034,544 4,545 0.04,546 3.111,547 3.049,548 1.321,549 0.788,550 0.394,551 0.315,552 0.202,553 0.055,554 3852,555 15141,556 2.018,557 30,559 7,562 2,567 1.635,568 1.826,569 2.974,570 0.378,572 1,573 1,574 1,577 48.464,578 1.615,579 3.08,580 3.76,581 4.348,582 4.44,583 4.44,584 2.439,585 3.559,586 4.364,587 3.107,588 652.468,589 7.493,590 6646.58,591 1,592 1,594 1,595 147.207,596 1.545,597 4.289,598 0.174,599 0.01,600 0.092,601 0.082,602 0.04,603 0.034,604 0.02,605 0.02,606 0.014,607 0.009,608 0.495,609 0.67,610 1,611 0.911,612 92.758,613 -0.132,614 0.008,615 -0.042,616 0.113,617 -0.132,618 0.086,619 0.181,620 -0.049,621 0.026,622 -0.048,623 0.089,624 -0.08,625 -0.106,626 -0.204,627 0.039,628 -0.171,629 -0.078,630 -0.052,631 0.07,632 -0.117,633 -0.039,634 -0.155,635 0.127,636 -0.145,637 -0.475,638 0.188,639 -0.385,640 0.172,641 -0.43,642 0.019,643 0.25,644 0.145,645 0.022,646 0.061,647 0.094,648 -0.032,649 -0.061,650 -0.196,651 -0.019,652 -0.245,653 -0.09,654 -0.152,655 0.515,656 -0.065,657 0.322,658 -0.058,659 0.574,660 0.012,661 2.957,662 5.245,663 0.714,664 14.118,665 1.042,666 1.107,667 2.541,668 6.454,669 0.711,670 3.178,671 3.555,672 3.892,673 4.19,674 4.357,675 4.443,676 4.575,677 4.663,678 4.564,679 4.533,680 4.821,681 0.723,682 283.25,683 3.178,684 4.745,685 5.631,686 6.544,687 7.447,688 8.366,689 9.276,690 10.198,691 11.112,692 12.036,693 3.3,700 1,709 7,714 5,716 12,725 1,732 1,735 30,737 15,738 2,739 23,741 32,742 15,743 12,744 5,745 7,746 3,748 3,749 4,762 15,767 3,772 3,776 3,779 1,780 1,783 9,784 6,785 2,786 6,792 1,794 1,797 0.667,798 5,815 1,816 2,819 1,841 1,843 2,851 21,857 2,864 1,874 16.7,876 2,877 3,881 11.5,882 5.433,883 4.556,884 1.632,886 2.532,887 1.369,888 0.943,889 2.998,890 9.389,891 3.497,892 4.111,893 4.718,894 5.297,895 5.772,896 5.996,897 6.368,898 6.68,899 6.847,900 7.099,901 1,902 37,903 7.821,905 3.604,906 8.468,907 13.804,909 11.44,911 2.968,912 62.333,916 82.398,917 88.966,918 3.124,920 160.801,923 88.966,924 243.199,925 3.124,927 3.124,928 66.334,929 171.121,930 12.313,932 82.398,934 82.398,935 92.091,936 160.801,939 82.398,940 160.801,943 3.124,944 88.966,947 82.398,948 163.926,949 88.966,952 82.398,953 22.633,954 69.458,956 160.801,957 82.398,958 163.926,959 88.966,961 0.598,962 0.37,963 0.206,964 0.1,965 18,966 9,967 0.063,968 2,969 1,970 1.133,971 3.173,972 169.184,973 0.133,974 15,975 82.239,981 13.339,982 4.719,983 1.988,985 163.926,986 9.936,991 -0.107,993 85.367,994 335.29,995 32,1000 35.344,1004 -2.294,1007 31.273,1008 33.206,1009 0.329,1010 0.628,1011 0.766,1012 0.886,1013 0.905,1014 0.905,1015 4.754,1016 1.083,1017 5.659,1018 2.912,1019 4.234,1020 4.796,1021 2.295,1022 6.558,1023 4.209,1024 5.993,1025 0.914,1026 7.283,1027 2.647,1028 4.007,1029 4.705,1030 0.325,1031 7.644,1032 3.957,1033 7.326,1034 0.025,1035 9.009,1036 2.21,1037 5.911,1038 6.995,1039 2.78,1040 10.798,1041 5.851,1042 8.696,1043 -0.292,1044 10.793,1045 0.063,1046 6.494,1047 7.685,1048 0.931,1049 12.71,1050 6.407,1051 10.098,1052 -0.585,1053 12.613,1054 -0.698,1055 7.924,1056 9.491,1057 3.353,1058 15.404,1059 7.826,1060 11.523,1061 -0.784,1062 14.458,1063 -1.379,1064 8.86,1065 10.544,1066 1.621,1067 17.651,1068 8.736,1069 12.968,1070 -0.889,1071 16.321,1072 -2,1073 10.124,1074 12.148,1075 3.977,1076 20.198,1077 9.986,1078 3.36,1079 -1,1080 18.198,1081 -2.123,1082 11.209,1083 13.378,1084 2.316,1085 22.585,1086 11.049,1087 2.949,1088 12.132,1089 20.086,1090 -2.155,1091 12.419,1092 14.887,1093 4.632,1094 25.087,1095 12.242,1096 2.478,1097 9.538,1098 21.983,1099 4.195,1100 13.566,1101 16.207,1102 2.996,1103 27.533,1104 13.37,1105 2.026,1106 8.487,1107 23.888,1108 3.964,1109 14.761,1110 17.671,1111 5.305,1112 30.023,1113 14.548,1114 1.885,1115 6.426,1116 25.799,1117 3.189,1118 15.936,1119 19.037,1120 3.659,1121 32.495,1122 15.703,1123 1.616,1124 5.278,1125 27.715,1126 2.65,1127 17.13,1128 20.478,1129 5.99,1130 34.985,1131 16.879,1132 1.272,1133 4.169,1134 29.637,1135 2.563,1136 18.318,1137 21.869,1138 4.307,1139 37.468,1140 18.049,1141 3848,1142 7707,1143 14.74,1144 21.324,1145 36.086,1146 38.244,1147 37.767,1148 35.343,1149 35.216,1150 47.161,1151 7.171,1152 107.726,1153 34.821,1154 5.477,1155 5.982,1156 6.757,1157 5.36,1158 5.36,1159 7.195,1160 2.873,1161 19.657,1162 5.299,1163 12.158,1164 1.569,1165 1.663,1166 1.642,1167 1.537,1168 1.531,1169 2.05,1170 0.312,1171 4.684,1172 1.514,1173 4.05,1174 4.066,1175 4.022,1176 3.956,1177 7.475,1178 3.967,1179 3.874,1180 3.886,1181 3.832,1182 3.806,1183 7.446,1184 3.808,1185 3.424,1186 3.442,1187 3.379,1188 3.222,1189 7.408,1190 3.257,1191 3.199,1192 3.186,1193 3.149,1194 2.944,1195 6.469,1196 2.989,1197 3.014,1198 3.021,1199 2.973,1200 2.843,1201 6.35,1202 2.858,1203 2.935,1204 2.971,1205 2.814,1206 2.746,1207 4.697,1208 2.75,1209 2.625,1210 2.662,1211 2.522,1212 2.359,1213 4.554,1214 2.408,1215 2.609,1216 2.618,1217 2.491,1218 2.302,1219 3.748,1220 2.36,1221 0.202,1222 0.173,1223 0.308,1224 0.189,1225 0.146,1226 4.636,1227 0.182,1228 3.982,1229 0.062,1230 7.078,1231 0.527,1232 4.342,1233 0.143,1234 3.36,1235 4.195,1236 1.437,1237 12.132,1238 3.299,1239 1.896,1240 1.881,1241 1.986,1242 2.005,1243 1.085,1244 1.992,1245 1.887,1246 1.868,1247 1.972,1248 1.959,1249 1.083,1250 1.968,1251 1.326,1252 1.318,1253 1.367,1254 1.599,1255 0.392,1256 1.521,1257 1.015,1258 1.019,1259 1.157,1260 1.341,1261 0.211,1262 1.263,1263 1.007,1264 0.994,1265 1.137,1266 1.198,1267 0.183,1268 1.168,1269 0.883,1270 0.839,1271 1.133,1272 1.14,1273 0.127,1274 1.131,1275 0.726,1276 0.673,1277 0.957,1278 0.961,1280 0.988,1281 0.411,1282 0.389,1283 0.716,1284 0.784,1286 0.771,1287 3.85,1289 5.209,1290 2.398,1291 6.774,1292 4.949,1293 8.43,1294 7.209,1295 10.132,1302 18.542,1309 0.913,1314 21.703,1315 48.464,1316 92.394,1317 112.8,1318 130.452,1319 133.207,1320 133.207,1321 53.626,1322 6.858,1323 96.6,1324 96.6,1325 17,1326 12.544,1327 4,1328 3.322,1329 32.086,1330 60,1331 58,1332 0.273,1333 132.904,1334 240.37,1335 316.047,1336 7241,1338 15.146,1339 0.721,1340 0.505,1341 15.146,1342 10.608,1343 10.003,1344 0.435,1345 0.263,1346 5.951,1347 9.579,1348 5.87,1349 4.824,1350 10.003,1351 6.046,1352 9.366,1353 0.275,1354 0.132,1355 9.366,1356 4.498,1357 8.117,1358 0.169,1359 0.068,1360 8.117,1361 3.264,1362 7.203,1363 0.111,1364 0.035,1365 7.203,1366 2.264,1367 5.193,1368 0.067,1369 0.019,1370 5.193,1371 1.437,1372 0.411,1373 63.404,1374 0.26,1375 20.284,1376 0.803,1377 114,1378 429.151,1379 128.041,1380 407.791,1381 536.59,1382 374,1383 139,1384 381.195,1385 152.464,1386 383.027,1387 567.79,1388 360,1389 5.1}
{0 CHEMBL1972840,1 1.564,2 12.621,3 3.582,4 12.83,5 116.579,6 8.174,7 0.788,8 4.011,9 4.119,10 3.711,11 3.658,12 5.129,13 3.616,14 4.507,15 4.644,16 4.088,17 4.071,18 5.555,19 4.001,20 4.733,21 4.915,22 4.081,23 4.155,24 5.737,25 4.041,26 4.774,27 4.993,28 3.953,29 4.078,30 5.677,31 3.947,32 4.657,33 4.879,34 3.845,35 3.942,36 5.613,37 3.836,38 4.659,39 4.882,40 3.77,41 3.898,42 5.664,43 3.794,44 4.638,45 4.893,46 3.667,47 3.822,48 5.573,49 3.701,50 4.422,51 4.632,52 3.633,53 3.72,54 5.405,55 3.609,56 0.034,57 0.71,58 9.126,59 4.308,60 11.119,61 5.191,62 0.112,63 1.151,64 17.113,65 7.538,66 17.846,67 8.93,68 0.272,69 1.411,70 25.734,71 10.402,72 31.771,73 12.533,74 0.252,75 1.469,76 31.224,77 11.284,78 28.98,79 13.769,80 0.194,81 1.293,82 23.423,83 9.189,84 27.802,85 11.88,86 0.265,87 1.298,88 23.645,89 8.937,90 36.083,91 11.358,92 0.257,93 1.269,94 26.366,95 9.363,96 35.794,97 11.888,98 0.224,99 1.005,100 19.778,101 7.449,102 26.622,103 9.232,104 2,105 46,106 0.259,107 0.622,108 0.802,109 0.902,110 0.909,111 0.909,112 3.408,113 0.936,114 -3.18,115 -3.17,116 -3.05,119 46.9,121 1,125 1,127 1,142 7,143 4,144 1,145 4,151 1,152 3,163 1,164 1,165 1,172 8,175 4,180 4,183 12,185 1,187 1,188 4,190 1,191 1,193 4,196 9,198 1,200 4,205 2,208 5,210 1,213 5,217 1,218 2,220 1,221 3,223 2,225 5,227 1,228 2,230 3,233 2,235 3,237 1,238 4,243 1,246 2,248 1,249 1,250 2,255 3,258 4,260 2,264 1,267 1,269 2,272 6,274 1,276 1351,277 20.17,278 20.17,279 20.17,280 20.17,281 20.17,282 17.216,283 8.592,284 12.026,285 20.652,286 16.357,287 16.357,288 16.357,289 16.357,290 16.357,291 11.947,292 7.94,293 5.766,294 17.172,295 4.051,296 1.858,297 0.768,298 0.163,299 0.122,300 0.122,301 4.123,305 1,306 1,307 830,308 3.162,311 128.076,312 258.902,315 245.443,319 1.936,320 17.188,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 61,332 366,333 4.527,334 3.163,335 6.533,336 4.059,337 3.073,338 4.474,339 0.86,340 10.301,341 3.03,342 4.512,343 3.087,344 6.379,345 4.006,346 3.066,347 4.439,349 9.914,350 2.878,351 4.098,352 2.894,353 5.935,354 3.647,355 2.687,356 3.735,358 8.399,359 2.578,360 3.617,361 2.549,362 5.344,363 3.36,364 2.401,365 2.966,367 6.862,368 2.302,369 3.498,370 2.37,371 5.239,372 3.146,373 2.199,374 2.805,376 6.512,377 2.065,378 3.139,379 1.972,380 4.797,381 2.816,382 1.837,383 2.319,385 5.2,386 1.795,387 3.045,388 1.587,389 4.414,390 2.518,391 1.546,392 2.298,394 4.312,395 1.501,396 3.032,397 1.546,398 4.248,399 2.501,400 1.532,401 2.284,403 3.839,404 1.479,405 2.994,406 1.532,407 4.144,408 2.419,409 1.53,410 2.173,412 3.701,413 1.342,414 2.758,415 1.358,416 3.595,417 2.216,418 1.299,419 1.872,421 2.883,422 1.186,423 2.616,424 1.206,425 3.581,426 2.14,427 1.153,428 1.668,430 2.743,431 1.135,432 2.5,433 1,434 3.48,435 1.936,436 1,437 1.5,439 2.467,440 0.926,441 2.086,442 0.987,443 3.209,444 1.627,445 0.686,446 0.922,448 1.608,449 0.641,450 1.847,451 0.677,452 3.019,453 1.402,454 0.498,455 0.585,457 1.149,458 0.447,459 1.687,460 0.347,461 3,462 1.245,463 0.347,464 0.521,466 0.86,467 0.305,468 14.267,469 0.492,470 0.585,471 0.02,472 41.25,473 1.422,474 22.5,475 0.776,476 18.75,477 0.647,478 21.963,479 0.757,480 28.933,481 0.59,482 27.673,483 0.954,484 7.982,485 0.275,486 6.277,487 0.216,488 0.028,490 0.315,496 0.97,497 1.014,498 0.728,499 0.814,500 1.049,501 0.786,502 1.218,503 0.97,504 0.883,505 0.865,506 1.025,507 0.875,508 1.08,509 1.008,510 1.103,511 1.059,512 1.044,513 1.055,514 1.187,515 1.072,516 1.178,517 1.146,518 0.984,519 1.04,520 0.978,521 1.065,522 0.809,523 0.992,524 0.999,525 1.035,526 1.273,527 1.039,528 0.948,529 0.991,530 1.305,531 1.064,532 1.265,533 0.877,534 0.934,535 0.876,536 1.152,537 0.886,538 1.32,539 1.03,540 0.981,541 1.004,542 1.134,543 1.008,544 5,545 0.103,546 2.889,547 1.708,548 1.307,549 0.657,550 0.363,551 0.332,552 0.147,553 0.173,554 13207,555 33068,556 2.215,557 40.8,559 10,560 1,561 4,562 3,564 2,567 1.714,568 2.148,569 3.63,570 0.857,572 1,577 76.64,578 1.564,579 3.757,580 4.846,581 5.451,582 5.492,583 5.492,584 3.069,585 4.582,586 4.834,587 3.806,588 1545.43,589 8.385,590 21834,592 1,594 1,595 275.121,596 1.091,597 4.82,598 0.152,599 0.004,600 0.063,601 0.04,602 0.035,603 0.019,604 0.011,605 0.011,606 0.005,607 0.007,608 0.348,609 0.33,610 0.88,611 0.335,612 150.055,613 -0.08,614 0.032,615 0.057,616 0.075,617 -0.134,618 0.068,619 -0.156,620 0.053,621 0.01,622 0.079,623 -0.122,624 0.017,625 0.035,626 -0.023,627 -0.081,628 -0.044,629 -0.015,630 -0.097,631 -0.076,632 -0.106,633 -0.056,634 -0.082,635 -0.05,636 -0.031,637 0.059,638 -0.112,639 0.052,640 -0.089,641 0.072,642 -0.064,643 0.013,644 -0.065,645 -0.072,646 -0.1,647 -0.031,648 -0.114,649 -0.04,650 0.089,651 0.054,652 0.081,653 0.045,654 0.117,655 0.01,656 -0.085,657 -0.001,658 -0.028,659 0.007,660 -0.032,661 1.437,662 2.459,663 0.828,664 27.957,665 0.998,666 1.111,667 1.95,668 3.801,669 0.719,670 3.526,671 3.85,672 4.143,673 4.431,674 4.625,675 4.654,676 4.779,677 4.875,678 4.836,679 4.913,680 7.517,681 0.678,682 400.54,683 3.526,684 5.069,685 5.927,686 6.806,687 7.678,688 8.561,689 9.439,690 10.323,691 11.204,692 12.088,693 8.2,694 1,701 1,703 2,708 4,709 12,710 2,711 1,713 1,714 4,716 26,733 1,735 49,737 26,738 1,739 33,741 53,742 23,743 20,744 2,745 4,748 5,749 7,760 2,762 20,763 3,780 1,783 20,784 4,785 3,786 6,787 1,792 4,797 0.6,798 1,809 2,811 1,815 2,816 3,819 2,836 1,843 3,845 1,851 29,852 1,858 2,861 1,863 1,869 1,874 2,879 1,881 13.5,882 8.65,883 6.278,884 2.801,886 5.063,887 1.629,888 1.055,889 5.004,890 13.108,891 3.85,892 4.511,893 5.172,894 5.82,895 6.336,896 6.635,897 7.066,898 7.471,899 7.552,900 7.881,901 1,902 43,903 10.679,905 4.583,906 7.552,907 20.741,909 17.469,911 2.052,912 59.5,914 1,915 1,916 200.109,917 170.984,918 83.254,920 11,922 31.278,923 139.707,924 211.109,925 83.254,927 40.024,928 75.381,929 80.655,930 80.736,931 16.019,932 172.531,934 200.109,935 222.96,936 11,937 31.278,939 176.567,940 34.542,943 92.999,944 96.39,945 33.571,946 31.278,947 200.109,948 94.254,949 170.984,952 200.109,953 59.413,954 111.571,955 16.786,956 77.468,957 200.109,958 94.254,959 170.984,961 0.579,962 0.34,963 0.192,964 0.104,965 24,966 9,967 0.113,968 6,969 2,970 1.167,971 4.299,972 255.823,973 0.167,974 24,975 140.881,977 1,981 18.286,982 7.936,983 3.887,984 4.693,985 77.468,986 23.756,987 8.532,988 3.294,990 1.724,991 4.123,993 49.683,994 465.347,995 46,1007 48.88,1008 54.444,1009 0.279,1010 0.669,1011 0.863,1012 0.971,1013 0.978,1014 0.978,1015 5.066,1016 1.532,1017 5.894,1018 4.312,1019 4.533,1020 5.198,1021 0.908,1022 6.691,1023 4.439,1024 6.28,1025 1.53,1026 7.435,1027 3.839,1028 4.007,1029 4.956,1031 7.526,1032 3.892,1033 7.587,1034 1.299,1035 9.076,1036 3.701,1037 6.107,1038 7.486,1039 0.739,1040 10.637,1041 5.939,1042 8.934,1043 1.153,1044 10.776,1045 2.883,1046 6.447,1047 8.157,1049 12.342,1050 6.251,1051 10.317,1052 1,1053 12.516,1054 2.743,1055 7.971,1056 10.095,1057 0.593,1058 14.933,1059 7.736,1060 11.726,1061 0.686,1062 14.285,1063 2.467,1064 8.719,1065 11.202,1067 16.99,1068 8.451,1069 13.156,1070 0.498,1071 16.073,1072 1.608,1073 10.001,1074 12.886,1075 0.469,1076 19.401,1077 9.701,1078 3.073,1079 0.347,1080 17.876,1081 1.149,1082 10.944,1083 14.201,1085 21.605,1086 10.61,1087 3.066,1088 10.301,1089 19.69,1090 0.86,1091 12.123,1092 15.773,1093 0.366,1094 23.952,1095 11.759,1096 2.687,1097 9.914,1098 21.514,1099 4.474,1100 13.157,1101 17.183,1103 26.218,1104 12.761,1105 2.401,1106 8.399,1107 23.344,1108 4.439,1109 14.295,1110 18.708,1111 0.283,1112 28.543,1113 13.87,1114 2.199,1115 6.862,1116 25.18,1117 3.735,1118 15.372,1119 20.162,1121 30.836,1122 14.916,1123 1.837,1124 6.512,1125 27.02,1126 2.966,1127 16.494,1128 21.667,1129 0.217,1130 33.153,1131 16.009,1132 1.546,1133 5.2,1134 28.865,1135 2.805,1136 17.591,1137 23.141,1139 35.459,1140 17.077,1141 11920,1142 19023,1143 23.057,1144 35.216,1145 50.093,1146 50.004,1147 50.202,1148 49.622,1149 49.705,1150 69.124,1151 1.72,1152 141.503,1153 47.221,1154 5.429,1155 5.163,1156 6.216,1157 5.172,1158 5.073,1159 7.474,1160 1.72,1161 17.025,1162 5.03,1163 6.837,1164 1.518,1165 1.515,1166 1.521,1167 1.504,1168 1.506,1169 2.095,1170 0.052,1171 4.288,1172 1.431,1173 4.134,1174 4.167,1175 4.336,1176 4.105,1177 5.059,1178 4.066,1179 4.075,1180 4.087,1181 4.08,1182 4.04,1183 4.984,1184 4.031,1185 3.826,1186 3.858,1187 3.785,1188 3.707,1189 4.943,1190 3.718,1191 3.62,1192 3.684,1193 3.501,1194 3.48,1195 4.884,1196 3.475,1197 3.374,1198 3.437,1199 3.386,1200 3.222,1201 4.377,1202 3.222,1203 3.264,1204 3.308,1205 3.252,1206 3.157,1207 4.303,1208 3.14,1209 3.004,1210 3.068,1211 2.921,1212 2.835,1213 4.254,1214 2.833,1215 2.893,1216 2.966,1217 2.875,1218 2.814,1219 3.797,1220 2.769,1221 0.137,1222 0.096,1223 0.198,1224 0.123,1225 0.093,1226 4.527,1227 0.136,1228 3.163,1229 0.026,1230 6.533,1231 0.312,1232 4.059,1233 0.092,1234 3.073,1235 4.474,1236 0.86,1237 10.301,1238 3.03,1239 1.942,1240 1.918,1241 2.042,1242 2.022,1243 1.258,1244 2.03,1245 1.868,1246 1.842,1247 1.952,1248 1.981,1249 1.076,1250 1.973,1251 1.84,1252 1.823,1253 1.905,1254 1.943,1255 1.045,1256 1.946,1257 1.683,1258 1.63,1259 1.852,1260 1.86,1261 1.008,1262 1.866,1263 1.392,1264 1.357,1265 1.577,1266 1.622,1267 0.698,1268 1.616,1269 1.311,1270 1.269,1271 1.401,1272 1.395,1273 0.556,1274 1.431,1275 1.038,1276 0.98,1277 1.28,1278 1.246,1279 0.386,1280 1.263,1281 0.877,1282 0.838,1283 1.132,1284 1.155,1285 0.205,1286 1.155,1287 4.205,1289 5.525,1290 3.045,1291 7.034,1292 5.416,1293 8.627,1294 7.526,1295 10.262,1301 6.34,1303 1.182,1306 5.959,1308 -0.103,1314 33.202,1315 76.64,1316 184.085,1317 237.469,1318 267.121,1319 269.121,1320 269.121,1321 36.225,1322 8.046,1323 76.82,1324 105.06,1325 28,1326 12.621,1327 4.755,1328 3.807,1329 39.899,1330 133,1331 111,1332 0.143,1333 204.53,1334 332.42,1335 490.814,1336 42449,1338 19.631,1339 0.677,1340 0.57,1341 19.985,1342 16.525,1343 14.259,1344 0.432,1345 0.312,1346 9.459,1347 13.425,1348 9.187,1349 7.591,1350 14.667,1351 10.301,1352 12.793,1353 0.278,1354 0.177,1355 13.435,1356 8.152,1357 11.022,1358 0.178,1359 0.098,1360 11.843,1361 6.101,1362 9.492,1363 0.114,1364 0.054,1365 10.379,1366 4.515,1367 7.71,1368 0.076,1369 0.03,1370 8.511,1371 3.045,1372 0.231,1373 92.288,1374 0.208,1375 28.07,1376 0.373,1377 158,1378 405.531,1379 192.689,1380 422.951,1381 594.52,1382 400,1383 187,1384 432.028,1385 220.144,1386 458.958,1387 671.14,1388 433,1389 5.5}
{0 CHEMBL1972849,1 1.829,2 10,3 3.977,4 15.818,5 104.357,6 8.922,7 0.735,8 3.999,9 4.103,10 3.712,11 3.494,12 5.267,13 3.535,14 4.511,15 4.653,16 4.145,17 3.906,18 5.771,19 3.946,20 4.721,21 4.886,22 4.209,23 4.004,24 6.018,25 4.031,26 4.881,27 5.109,28 4.212,29 3.994,30 6.243,31 4.019,32 4.738,33 4.931,34 4.155,35 3.978,36 6.006,37 3.999,38 4.665,39 4.815,40 4.151,41 3.981,42 6.02,43 3.99,44 4.719,45 4.911,46 4.061,47 3.918,48 5.976,49 3.915,50 4.626,51 4.84,52 3.952,53 3.778,54 5.934,55 3.78,56 0.23,57 0.89,58 6.387,59 3.859,60 16.577,61 3.994,62 0.519,63 1.43,64 13.638,65 6.33,66 38.298,67 7.048,68 0.64,69 1.727,70 17.687,71 7.813,72 54.693,73 8.622,74 1.264,75 1.867,76 28.613,77 7.73,78 134.313,79 9.451,80 0.813,81 1.606,82 19.942,83 6.664,84 63.863,85 7.757,86 0.745,87 1.584,88 15.883,89 7.483,90 45.144,91 8.247,92 0.785,93 1.602,94 20.885,95 8.318,96 55.332,97 9.722,98 0.892,99 1.414,100 21.065,101 7.096,102 69.102,103 8.676,104 28,105 52,106 0.307,107 0.688,108 0.805,109 0.855,110 0.855,111 0.855,112 3.442,113 0.806,114 -5.54,115 -5.42,116 -5.05,119 43.5,120 2,123 1,125 1,142 5,143 1,144 2,146 2,151 2,152 1,161 2,162 1,166 2,172 5,174 5,175 6,180 1,183 4,187 3,188 13,193 2,196 1,199 2,200 12,203 2,208 2,212 2,213 7,216 2,221 5,224 3,225 7,230 1,233 5,237 2,238 7,243 1,246 3,249 2,250 5,253 1,258 3,264 6,267 1,269 1,272 4,276 1438,277 20.135,278 20.135,279 20.135,280 20.135,281 20.135,282 17.313,283 8.912,284 11.234,285 20.57,286 16.679,287 16.679,288 16.679,289 16.679,290 16.679,291 12.349,292 6.882,293 5.215,294 17.491,295 3.695,296 1.419,297 0.72,298 0.424,299 0.424,300 0.424,301 4.144,305 1,306 1,307 660,308 3.536,311 186.255,312 143.809,314 102.262,315 104.558,319 1.333,320 45.728,323 0.75,324 1,325 1,326 0.4,328 1,329 1,330 0.74,331 68,332 300,333 4.775,334 3.665,335 7.422,336 4.436,337 3.465,338 4.711,340 12.968,341 3.368,342 4.673,343 3.387,344 7.049,345 4.29,346 3.335,347 4.52,349 12.156,350 3.186,351 4.234,352 3.105,353 6.304,354 3.807,355 2.848,356 3.916,358 9.427,359 2.724,360 4.109,361 2.817,362 6.236,363 3.722,364 2.773,365 3.441,367 9.205,368 2.621,369 3.759,370 2.688,371 5.742,372 3.312,373 2.356,374 3.194,376 7.643,377 2.248,378 3.546,379 2.357,380 5.213,381 3.122,382 2.182,383 2.913,385 6.324,386 2.035,387 3.109,388 2.067,389 4.876,390 2.639,391 1.713,392 2.349,394 4.922,395 1.576,396 3.053,397 1.673,398 4.772,399 2.574,400 1.62,401 2.273,403 4.872,404 1.536,405 2.951,406 1.46,407 4.603,408 2.395,409 1.455,410 2.172,412 4.411,413 1.364,414 2.753,415 1.366,416 4.125,417 2.255,418 1.286,419 1.869,421 3.305,422 1.239,423 2.602,424 1.208,425 4.025,426 2.091,427 1.132,428 1.648,430 3.061,431 1.082,432 2.443,433 0.999,434 3.449,435 1.93,436 0.958,437 1.416,439 2.258,440 0.928,441 2.063,442 0.986,443 3.369,444 1.591,445 0.637,446 0.882,448 1.547,449 0.604,450 1.688,451 0.598,452 3.255,453 1.251,454 0.361,455 0.397,457 0.679,458 0.316,459 1.381,460 0.384,461 3.017,462 1.153,463 0.215,464 0.29,466 0.444,467 0.202,468 13.638,469 0.455,470 0.958,471 0.032,472 40.75,473 1.358,474 20,475 0.667,476 20.75,477 0.692,478 25.263,479 0.842,480 31.962,481 0.695,482 33.316,483 1.111,484 8.074,485 0.269,486 6.313,487 0.21,488 0.14,489 0.037,490 0.389,494 2,496 0.686,497 1.061,498 0.607,499 1.047,500 0.63,501 0.871,502 0.711,503 1.013,504 0.598,505 0.894,506 0.635,507 0.763,508 0.933,509 1.263,510 0.901,511 1.21,512 0.887,513 1.09,514 0.971,515 0.733,516 0.918,517 0.58,518 0.861,519 0.657,520 0.853,521 0.814,522 0.975,523 0.814,524 0.699,525 0.869,526 0.724,527 0.973,528 0.936,529 1.173,530 0.617,531 1.153,532 0.91,533 1.043,534 0.95,535 1.142,536 0.895,537 1.098,538 0.854,539 0.935,540 0.895,541 0.882,542 0.865,543 0.889,544 7,545 0.149,546 4.667,547 2.792,548 2.172,549 1.341,550 0.79,551 0.83,552 0.56,553 0.344,554 10709,555 36140,556 2.116,557 34.8,558 6,559 7,560 2,562 1,567 1.736,568 1.946,569 3.272,570 -0.25,572 1,577 84.136,578 1.829,579 4.105,580 4.804,581 5.099,582 5.099,583 5.099,584 2.689,585 4.707,586 4.88,587 3.404,588 1480.87,589 8.552,590 19490.8,592 1,594 1,595 254.084,596 1.648,597 4.818,598 0.206,599 0.008,600 0.09,601 0.053,602 0.042,603 0.027,604 0.016,605 0.019,606 0.014,607 0.011,608 0.486,609 0.17,610 0.75,611 0.922,612 150.141,613 -0.035,614 -0.096,615 0.043,616 -0.066,617 -0.075,618 -0.012,619 0.026,620 -0.078,621 0.174,622 0.072,623 0.003,624 0.139,625 -0.096,626 -0.251,627 -0.058,628 -0.242,629 -0.058,630 -0.17,631 -0.033,632 0.162,633 0.108,634 0.313,635 0.055,636 0.293,637 -0.077,638 0.086,639 -0.098,640 0.075,641 -0.05,642 0.026,643 0.1,644 -0.012,645 -0.123,646 -0.197,647 0.074,648 -0.239,649 -0.006,650 -0.104,651 0.005,652 -0.145,653 -0.046,654 -0.099,655 0.099,656 0.015,657 0.123,658 0.091,659 0.065,660 0.116,661 2.413,662 6.543,663 0.767,664 24.729,665 1.035,666 1.143,667 4.311,668 18.586,669 0.682,670 3.555,671 3.97,672 4.317,673 4.654,674 4.89,675 5.112,676 5.303,677 5.493,678 5.652,679 5.762,680 5.927,681 0.684,682 410.42,683 3.555,684 5.153,685 6.052,686 6.984,687 7.902,688 8.839,689 9.765,690 10.704,691 11.633,692 12.573,693 13,701 2,703 4,708 2,709 7,710 4,712 1,714 7,716 25,734 2,735 46,737 25,738 1,739 34,741 50,742 20,743 16,744 3,745 3,748 5,749 7,754 3,755 1,762 16,763 4,780 1,781 2,783 16,784 8,785 1,786 10,789 1,792 6,797 0.6,798 2,799 1,802 1,808 1,815 3,816 2,818 1,819 1,841 1,843 3,847 2,849 2,851 30,857 1,858 1,865 1,871 1,873 2,874 4.3,875 1,879 1,881 15.417,882 9.186,883 6.347,884 2.636,886 5,887 1.6,888 0.995,889 4.207,890 13.34,891 3.861,892 4.593,893 5.306,894 6.015,895 6.575,896 7.104,897 7.651,898 8.161,899 8.64,900 9.089,901 0.857,902 53,903 11.141,905 5.06,906 8.075,907 20.42,909 17.216,911 2.575,912 77.25,915 1,916 176.567,917 123.538,918 69.225,920 52.191,921 29.92,923 123.538,924 228.757,925 99.145,926 17.65,928 110.851,929 70.818,930 42.877,931 56.219,932 153.024,934 176.567,935 192.763,936 82.111,939 206.487,940 9.507,941 42.683,943 33.636,944 92.353,945 66.775,947 206.487,948 121.416,949 123.538,952 176.567,953 37.72,954 88.269,956 148.885,957 176.567,958 151.336,959 123.538,961 0.604,962 0.367,963 0.199,964 0.105,965 29,966 13,967 0.08,968 4,969 2,970 1.174,971 3.933,972 298.554,973 0.174,974 23,975 145.207,981 18.859,982 6.693,983 2.936,984 0.739,985 148.885,986 9.818,987 17.288,989 5.377,991 0.341,993 42.683,994 451.441,995 46.5,1007 47.592,1008 52.579,1009 0.331,1010 0.743,1011 0.87,1012 0.923,1013 0.923,1014 0.923,1015 5.137,1016 1.62,1017 6.103,1018 4.922,1019 4.654,1020 5.281,1022 7.034,1023 4.56,1024 6.414,1025 1.455,1026 7.744,1027 4.872,1028 4.511,1029 5.301,1031 8.295,1032 4.375,1033 7.78,1034 1.286,1035 9.492,1036 4.411,1037 6.405,1038 7.651,1040 11.398,1041 6.233,1042 9.186,1043 1.132,1044 11.304,1045 3.305,1046 7.074,1047 8.502,1049 13.462,1050 6.865,1051 10.624,1052 0.958,1053 13.158,1054 3.061,1055 8.496,1056 10.338,1058 16.156,1059 8.254,1060 12.084,1061 0.637,1062 15.04,1063 2.258,1064 9.49,1065 11.561,1067 18.513,1068 9.214,1069 13.562,1070 0.361,1071 16.943,1072 1.547,1073 10.762,1074 13.203,1076 21.092,1077 10.455,1078 3.465,1079 0.215,1080 18.862,1081 0.679,1082 11.888,1083 14.594,1085 23.559,1086 11.548,1087 3.335,1088 12.968,1089 20.794,1090 0.444,1091 13.115,1092 16.162,1094 26.107,1095 12.744,1096 2.848,1097 12.156,1098 22.735,1099 4.711,1100 14.294,1101 17.629,1103 28.618,1104 13.892,1105 2.773,1106 9.427,1107 24.685,1108 4.52,1109 15.511,1110 19.171,1112 31.159,1113 15.079,1114 2.356,1115 9.205,1116 26.641,1117 3.916,1118 16.713,1119 20.672,1121 33.689,1122 16.25,1123 2.182,1124 7.643,1125 28.603,1126 3.441,1127 17.931,1128 22.206,1130 36.23,1131 17.438,1132 1.713,1133 6.324,1134 30.569,1135 3.194,1136 19.145,1137 23.724,1139 38.768,1140 18.621,1141 10115,1142 18761,1143 22.482,1144 31.387,1145 53.25,1146 53.807,1147 55.236,1148 52.723,1149 52.67,1150 71.982,1152 166.443,1153 50.058,1154 5.508,1155 5.665,1156 6.91,1157 5.496,1158 5.465,1159 7.711,1161 20.845,1162 5.368,1163 15.936,1164 1.566,1165 1.583,1166 1.625,1167 1.551,1168 1.549,1169 2.117,1171 4.895,1172 1.472,1173 4.198,1174 4.241,1175 4.184,1176 4.018,1177 8.211,1178 4.052,1179 4.035,1180 4.087,1181 4.017,1182 3.841,1183 8.191,1184 3.873,1185 3.863,1186 3.888,1187 3.831,1188 3.725,1189 6.456,1190 3.751,1191 3.655,1192 3.706,1193 3.538,1194 3.524,1195 5.278,1196 3.521,1197 3.28,1198 3.321,1199 3.229,1200 3.108,1201 5.171,1202 3.131,1203 3.096,1204 3.149,1205 3.04,1206 2.91,1207 4.573,1208 2.933,1209 2.983,1210 3.063,1211 2.84,1212 2.733,1213 4.468,1214 2.735,1215 2.901,1216 3.009,1217 2.753,1218 2.645,1219 4.173,1220 2.648,1221 0.14,1222 0.108,1223 0.218,1224 0.13,1225 0.102,1226 4.775,1227 0.139,1228 3.665,1230 7.422,1231 0.381,1232 4.436,1233 0.099,1234 3.465,1235 4.711,1237 12.968,1238 3.368,1239 1.93,1240 1.902,1241 2.001,1242 2.087,1243 1.23,1244 2.057,1245 1.85,1246 1.814,1247 1.959,1248 1.978,1249 1.103,1250 1.968,1251 1.711,1252 1.665,1253 1.868,1254 1.877,1255 0.961,1256 1.882,1257 1.503,1258 1.449,1259 1.615,1260 1.728,1261 0.715,1262 1.69,1263 1.313,1264 1.298,1265 1.417,1266 1.634,1267 0.469,1268 1.558,1269 1.155,1270 1.126,1271 1.353,1272 1.362,1273 0.428,1274 1.315,1275 0.991,1276 0.906,1277 1.34,1278 1.313,1279 0.363,1280 1.312,1281 0.934,1282 0.835,1283 1.254,1284 1.292,1285 0.265,1286 1.308,1287 4.234,1289 5.624,1290 3.434,1291 7.201,1292 5.82,1293 8.866,1294 7.947,1295 10.579,1297 3.647,1299 27.969,1302 9.73,1303 -0.148,1310 -0.681,1314 31.485,1315 84.136,1316 188.823,1317 220.964,1318 234.574,1319 234.574,1320 234.574,1321 62.631,1322 8.34,1323 93.75,1324 93.75,1325 27,1326 13.071,1327 4.7,1328 3.755,1329 41.276,1330 104,1331 114,1332 0.193,1333 187.531,1334 307.58,1335 449.336,1336 49229,1337 4.3,1338 21.043,1339 0.701,1340 0.535,1341 19.303,1342 16.043,1343 14.386,1344 0.423,1345 0.269,1346 8.936,1347 13.535,1348 8.736,1349 7.211,1350 13.582,1351 9.14,1352 13.914,1353 0.268,1354 0.145,1355 12.753,1356 7.543,1357 12.243,1358 0.165,1359 0.067,1360 11.45,1361 4.954,1362 10.516,1363 0.101,1364 0.032,1365 9.8,1366 3.308,1367 8.219,1368 0.062,1369 0.016,1370 7.85,1371 2.149,1372 0.292,1373 92.464,1374 0.211,1375 27.466,1376 0.564,1377 172,1378 655.978,1379 198.076,1380 576.761,1381 785.73,1382 538,1383 212,1384 595.568,1385 240.62,1386 583.692,1387 867.69,1388 548,1389 5.1}
{0 CHEMBL1972937,1 1.648,2 9.955,3 3.763,4 14.16,5 89.416,6 8.622,7 0.5,8 3.692,9 3.782,10 3.44,11 3.344,12 4.882,13 3.302,14 4.145,15 4.266,16 3.811,17 3.679,18 5.341,19 3.618,20 4.286,21 4.445,22 3.729,23 3.695,24 5.438,25 3.609,26 4.217,27 4.402,28 3.635,29 3.611,30 5.329,31 3.495,32 4.191,33 4.371,34 3.66,35 3.622,36 5.283,37 3.498,38 4.158,39 4.321,40 3.599,41 3.522,42 5.364,43 3.431,44 4.065,45 4.254,46 3.347,47 3.299,48 5.351,49 3.23,50 3.816,51 3.985,52 3.004,53 3.126,54 5.029,55 3.035,56 0.027,57 0.479,58 5.93,59 3.23,60 4.916,61 3.614,62 0.19,63 0.778,64 12.127,65 5.257,66 16.193,67 5.888,68 0.176,69 0.878,70 16.76,71 6.712,72 21.377,73 7.229,74 0.183,75 0.825,76 14.66,77 6.22,78 26.084,79 7.222,80 0.169,81 0.835,82 18.887,83 6.942,84 18.901,85 7.242,86 0.169,87 0.787,88 16.647,89 6.17,90 22.671,91 6.303,92 0.324,93 0.684,94 14.73,95 5.248,96 37.996,97 5.722,98 0.196,99 0.531,100 11.798,101 4.278,102 24.498,103 4.473,104 6,105 32,106 0.297,107 0.598,108 0.714,109 0.837,110 0.867,111 0.867,112 3.146,113 0.943,114 -4.51,115 -4.44,116 -4.18,119 47.2,124 1,135 1,138 1,142 9,143 1,144 2,158 1,159 1,172 9,175 5,178 2,180 1,183 11,188 6,193 1,196 6,199 1,200 5,205 3,208 5,213 3,218 4,221 3,225 6,230 2,233 4,237 1,238 4,241 1,243 1,246 4,249 1,250 2,258 7,272 7,276 658,277 15.11,278 15.11,279 15.11,280 15.11,281 15.11,282 13.129,283 13.776,284 9.137,285 15.568,286 11.838,287 11.838,288 11.838,289 11.838,290 11.838,291 8.801,292 15.016,293 4.342,294 12.518,295 3.522,296 1.847,297 1.202,298 0.521,299 0.354,300 0.354,301 3.829,304 1,305 1,306 1,307 469,308 2.449,311 61.633,312 152.095,319 1.69,320 16.799,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 47,332 219,333 4.317,334 4.69,335 6.18,336 3.907,337 2.978,338 3.813,339 3.655,340 9.246,341 2.782,342 4.063,343 3.458,344 5.59,345 3.628,346 2.667,347 3.617,348 1.055,349 7.716,350 2.553,351 3.916,352 3.047,353 5.459,354 3.481,355 2.509,356 3.393,357 0.86,358 7.247,359 2.436,360 3.466,361 2.875,362 4.995,363 3.024,364 2.081,365 2.744,366 0.624,367 5.951,368 1.953,369 3.289,370 2.531,371 4.834,372 2.795,373 1.854,374 2.507,376 5.316,377 1.713,378 2.817,379 2.219,380 4.123,381 2.362,382 1.388,383 1.93,385 3.509,386 1.341,387 2.794,388 1.546,389 3.584,390 2.271,391 1.312,392 1.826,394 3.01,395 1.245,396 2.616,397 1.309,398 3.494,399 2.106,400 1.153,401 1.581,403 2.61,404 1.072,405 2.5,406 1.02,407 3.247,408 2,409 1,410 1.5,412 2.136,413 1,414 1.584,415 1,416 2.928,417 1.294,418 0.43,419 0.482,421 0.626,422 0.368,423 1.386,424 0.936,425 2.781,426 0.91,432 1.17,433 0.541,434 2.67,435 0.837,436 -0.126,437 -0.156,439 -0.336,440 -0.12,441 0.813,442 0.269,443 2,444 0.368,445 -0.636,446 -0.864,448 -1.437,449 -0.615,450 0.666,451 -0.374,452 1.869,453 0.168,454 -0.784,455 -1.012,457 -1.782,458 -0.733,459 0.583,460 -0.432,461 1.661,462 0.081,463 -0.877,464 -1.232,466 -2.223,467 -0.833,468 10.8,469 0.491,470 0.43,471 0.02,472 31.25,473 1.42,474 17.5,475 0.795,476 13.75,477 0.625,478 14.141,479 0.643,480 22.2,481 0.617,482 20.391,483 0.927,484 6.344,485 0.288,486 4.398,487 0.2,488 0.077,490 0.278,496 0.765,497 1.051,498 0.698,499 0.853,500 0.615,501 0.814,502 0.894,503 1.033,504 0.822,505 0.937,506 0.662,507 0.881,508 1.082,509 1.158,510 1.092,511 1.139,512 1.072,513 1.052,514 0.863,515 1.021,516 0.909,517 0.927,518 0.814,519 0.984,520 1.032,521 1.02,522 1.386,523 1.157,524 0.831,525 0.91,526 1.225,527 1.224,528 1.306,529 1.3,530 1.479,531 1.091,532 1.27,533 0.917,534 1.052,535 0.936,536 1.754,537 0.897,538 1.396,539 1.037,540 1.415,541 1.193,542 1.811,543 1.126,544 4.5,545 0.049,546 1.333,547 1.604,548 0.738,549 0.619,550 0.39,551 0.257,552 0.117,553 0.049,554 5285,555 15302,556 2.097,557 38.9,559 13,562 1,567 1.642,568 2,569 3.309,570 -0.31,572 1,574 1,577 59.327,578 1.648,579 3.323,580 3.968,581 4.649,582 4.816,583 4.816,584 2.754,585 4.278,586 4.43,587 3.447,588 796.371,589 7.596,590 8933.43,591 1,592 1,593 1,594 1,595 186.117,596 1.241,597 4.407,598 0.188,599 0.004,600 0.042,601 0.055,602 0.03,603 0.024,604 0.016,605 0.013,606 0.008,607 0.004,608 0.383,609 0.33,610 1,611 0.72,612 102.334,613 -0.045,614 -0.048,615 0.056,616 0.024,617 -0.08,618 0.025,619 0.084,620 -0.022,621 0.097,622 0.017,623 0.035,625 -0.092,626 -0.156,627 -0.081,628 -0.142,629 -0.085,630 -0.116,631 0.025,632 -0.022,633 0.08,634 0.053,635 0.038,636 -0.017,637 -0.108,638 0.042,639 -0.043,640 0.044,641 0.029,642 0.098,643 -0.1,644 -0.185,645 -0.122,646 -0.212,647 -0.064,648 -0.142,649 0.161,650 0.083,651 -0.03,652 0.031,653 0.07,654 0.05,655 -0.132,656 -0.049,657 -0.367,658 -0.186,659 -0.155,660 -0.183,661 1.803,662 5.021,663 0.773,664 18.719,665 1.007,666 1.106,667 3.284,668 10.783,669 0.726,670 3.219,671 3.497,672 3.714,673 3.951,674 4.094,675 4.06,676 4.19,677 4.248,678 4.29,679 4.29,680 5.904,681 0.689,682 310.4,683 3.219,684 4.727,685 5.549,686 6.402,687 7.239,688 8.098,689 8.942,690 9.803,691 10.652,692 11.515,693 5.6,700 1,702 1,709 9,714 3,716 12,733 1,735 36,737 15,738 2,739 24,741 38,742 17,743 12,744 3,745 9,746 4,748 3,749 3,762 16,763 1,767 3,772 1,774 1,775 1,776 3,780 1,783 14,784 4,785 1,786 5,787 1,792 2,797 1,798 2,815 1,816 2,829 1,834 2,843 3,844 1,845 1,847 1,851 22,860 1,861 1,862 1,874 5.6,877 1,879 1,881 11,882 6.783,883 4.944,884 1.954,886 3.236,887 1.48,888 0.993,889 4.493,890 9.985,891 3.526,892 4.078,893 4.595,894 5.122,895 5.617,896 5.742,897 6.138,898 6.467,899 6.778,900 7.068,901 0.857,902 29,903 8.079,905 3.353,906 7.765,907 15.287,909 12.085,911 2.265,912 49.833,916 153.024,917 155.999,918 34.796,920 36.145,922 32.22,923 123.78,924 189.169,925 34.796,926 10.883,927 18.011,928 94.762,929 31.4,930 38.971,931 0.693,932 185.244,934 153.024,935 158.576,936 36.145,937 32.22,939 153.024,940 36.145,943 34.796,944 112.753,945 11.027,946 32.22,947 153.024,948 70.941,949 155.999,952 153.024,953 50.354,954 105.646,955 18.011,956 52.93,957 153.024,958 70.941,959 155.999,961 0.567,962 0.325,963 0.175,964 0.093,965 15,966 6,967 0.079,968 3,970 1,971 3.552,972 164.529,974 17,975 94.107,977 1,981 14.73,982 6.711,983 3.728,985 70.941,986 17.101,991 2.488,993 18.011,994 379.965,995 33,1000 12.021,1002 1.829,1003 4.416,1004 1.066,1007 36.236,1008 39.827,1009 0.319,1010 0.643,1011 0.767,1012 0.899,1013 0.931,1014 0.931,1015 4.727,1016 1.153,1017 5.501,1018 3.01,1019 4.174,1020 4.762,1021 3.442,1022 6.236,1023 4.071,1024 5.918,1025 1,1026 7.006,1027 2.61,1028 3.611,1029 4.35,1030 1.998,1031 6.917,1032 3.443,1033 7.201,1034 0.43,1035 8.602,1036 2.136,1037 5.694,1038 6.868,1039 5.8,1040 9.984,1041 5.489,1042 8.517,1044 10.252,1045 0.626,1046 5.943,1047 7.216,1048 4.966,1049 11.476,1050 5.651,1051 9.86,1052 -0.126,1053 11.936,1055 7.468,1056 9.202,1057 8.334,1058 14.018,1059 7.157,1060 11.222,1061 -0.636,1062 13.642,1063 -0.336,1064 8.116,1065 9.934,1066 7.845,1067 15.878,1068 7.707,1069 12.599,1070 -0.784,1071 15.366,1072 -1.437,1073 9.389,1074 11.651,1075 10.885,1076 18.216,1077 8.961,1078 2.978,1079 -0.877,1080 17.102,1081 -1.782,1082 10.242,1083 12.603,1084 10.642,1085 20.255,1086 9.714,1087 2.667,1088 9.246,1089 18.849,1090 -2.223,1091 11.399,1092 14.166,1093 13.438,1094 22.511,1095 10.841,1096 2.509,1097 7.716,1098 20.604,1099 3.813,1100 12.358,1101 15.252,1102 13.39,1103 24.639,1104 11.705,1105 2.081,1106 7.247,1107 22.367,1108 3.617,1109 13.464,1110 16.723,1111 15.994,1112 26.865,1113 12.768,1114 1.854,1115 5.951,1116 24.135,1117 3.393,1118 14.477,1119 17.893,1120 16.105,1121 29.037,1122 13.693,1123 1.388,1124 5.316,1125 25.91,1126 2.744,1127 15.561,1128 19.307,1129 18.553,1130 31.254,1131 14.725,1132 1.312,1133 3.509,1134 27.689,1135 2.507,1136 16.604,1137 20.53,1138 18.797,1139 33.448,1140 15.684,1141 5120,1142 8850,1143 16.296,1144 26.137,1145 35.246,1146 38.222,1147 35.771,1148 34.734,1149 34.746,1150 46.785,1151 12.388,1152 94.734,1153 32.927,1154 5.095,1155 6.69,1156 5.982,1157 5.033,1158 4.978,1159 6.813,1160 7.134,1161 15.528,1162 4.782,1163 8.308,1164 1.469,1165 1.593,1166 1.49,1167 1.447,1168 1.448,1169 1.949,1170 0.516,1171 3.947,1172 1.372,1173 3.968,1174 3.99,1175 4.086,1176 3.909,1177 7.429,1178 3.897,1179 3.885,1180 3.914,1181 3.829,1182 3.818,1183 4.891,1184 3.814,1185 3.676,1186 3.695,1187 3.759,1188 3.594,1189 4.842,1190 3.563,1191 3.263,1192 3.324,1193 3.137,1194 3.025,1195 4.488,1196 3.038,1197 3.11,1198 3.168,1199 3.026,1200 2.93,1201 4.38,1202 2.935,1203 2.921,1204 2.964,1205 2.917,1206 2.745,1207 4.002,1208 2.756,1209 2.854,1210 2.925,1211 2.737,1212 2.735,1213 3.674,1214 2.715,1215 2.759,1216 2.833,1217 2.687,1218 2.617,1219 3.641,1220 2.593,1221 0.18,1222 0.195,1223 0.257,1224 0.163,1225 0.124,1226 4.317,1227 0.159,1228 4.69,1229 0.152,1230 6.18,1231 0.385,1232 3.907,1233 0.116,1234 2.978,1235 3.813,1236 3.655,1237 9.246,1238 2.782,1239 1.911,1240 1.892,1241 2.009,1242 1.993,1243 1.108,1244 1.999,1245 1.885,1246 1.854,1247 2.004,1248 1.978,1249 1.05,1250 1.988,1251 1.45,1252 1.442,1253 1.587,1254 1.651,1255 0.644,1256 1.614,1257 1.266,1258 1.223,1259 1.503,1260 1.518,1261 0.56,1262 1.524,1263 1.184,1264 1.112,1265 1.303,1266 1.398,1267 0.337,1268 1.425,1269 0.886,1270 0.828,1271 1.181,1272 1.076,1273 0.218,1274 1.107,1275 0.872,1276 0.821,1277 1.1,1278 1.062,1279 0.161,1280 1.082,1281 0.788,1282 0.723,1283 1.052,1284 0.975,1285 0.099,1286 1.011,1287 3.892,1289 5.176,1290 2.398,1291 6.645,1292 4.727,1293 8.191,1294 6.783,1295 9.776,1297 1.619,1305 2.776,1306 5.186,1307 1.332,1314 24.82,1315 59.327,1316 119.614,1317 142.833,1318 167.362,1319 173.362,1320 173.362,1321 29.504,1322 6.749,1323 54.45,1324 82.69,1325 17,1326 12.066,1327 4,1328 3.322,1329 34.571,1330 77,1331 72,1332 0.219,1333 158.025,1334 278.11,1335 377.342,1336 7217,1338 15.364,1339 0.698,1340 0.58,1341 15.717,1342 12.762,1343 10.742,1344 0.448,1345 0.314,1346 6.716,1347 9.954,1348 6.462,1349 5.407,1350 11.15,1351 7.548,1352 9.357,1353 0.292,1354 0.176,1355 10.026,1356 5.625,1357 7.642,1358 0.191,1359 0.098,1360 8.411,1361 3.939,1362 6.305,1363 0.124,1364 0.055,1365 7.195,1366 2.825,1367 4.857,1368 0.082,1369 0.03,1370 5.562,1371 1.76,1372 0.345,1373 71.041,1374 0.248,1375 21.971,1376 0.594,1377 112,1378 348.309,1379 147.991,1380 358.326,1381 488.73,1382 336,1383 128,1384 339.995,1385 159.194,1386 363.058,1387 526.07,1388 340,1389 5.1}
{0 CHEMBL1972988,1 1.667,2 6.313,3 2.074,4 4.302,5 62.267,6 10.029,7 0.889,8 3.306,9 3.411,10 3.131,11 2.932,12 4.545,13 2.941,14 3.746,15 3.878,16 3.512,17 3.293,18 5.01,19 3.289,20 3.862,21 4.027,22 3.447,23 3.329,24 5.003,25 3.286,26 3.778,27 3.947,28 3.324,29 3.206,30 4.948,31 3.15,32 3.708,33 3.919,34 3.133,35 3.045,36 4.807,37 2.965,38 3.541,39 3.765,40 3.09,41 2.803,42 4.714,43 2.724,44 3.107,45 3.333,46 2.584,47 2.328,48 4.341,49 2.214,50 2.333,51 2.56,52 1.746,53 1.61,54 3.401,55 1.45,56 0.055,57 0.376,58 2.023,59 1.505,60 3.296,61 1.511,62 0.166,63 0.578,64 4.268,65 2.381,66 11.345,67 2.384,68 0.153,69 0.604,70 7.555,71 3.29,72 13.143,73 3.618,74 0.188,75 0.548,76 7.016,77 2.925,78 13.833,79 3.127,80 0.153,81 0.502,82 6.973,83 3.076,84 11.919,85 3.66,86 0.197,87 0.39,88 8.948,89 2.704,90 15.077,91 3.101,92 0.173,93 0.228,94 7.755,95 1.79,96 15.03,97 1.914,98 0.057,99 0.089,100 3.742,101 0.937,102 5.285,103 1.098,104 2,105 25,106 0.33,107 0.681,108 0.856,109 0.897,110 0.897,111 0.897,112 2.855,113 0.854,114 -3.25,115 -3.24,116 -3.11,119 47.8,142 3,143 2,145 1,146 1,147 1,148 1,151 1,161 1,172 3,174 1,175 6,178 1,180 2,183 4,188 3,193 1,196 2,200 3,203 1,205 2,208 2,212 1,213 3,221 2,225 1,228 1,230 1,233 1,237 1,238 2,246 1,276 244,277 11.069,278 11.069,279 11.069,280 11.069,281 11.069,282 9.199,283 1.601,284 6.608,285 11.472,286 8.909,287 8.909,288 8.909,289 8.909,290 8.909,291 6.184,292 0.641,293 3.139,294 9.599,295 2.857,296 1.088,297 0.207,301 3.533,303 1,305 1,306 1,307 221,308 1.581,311 27.272,312 76.8,315 52.273,319 0.977,320 11.163,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 34.333,332 101,333 4.594,334 3.176,335 6.709,336 4.132,337 3.156,338 4.531,340 10.902,341 3.083,342 4.02,343 2.901,344 5.773,345 3.508,346 2.585,347 3.657,349 7.878,350 2.389,351 3.489,352 2.33,353 5.03,354 2.98,355 2.103,356 2.862,358 5.914,359 1.791,360 3.047,361 1.574,362 4.483,363 2.513,364 1.547,365 2.319,367 4.223,368 1.49,369 2.957,370 1.543,371 4,372 2.397,373 1.484,374 2.166,376 3.466,377 1.323,378 2.674,379 1.227,380 3.567,381 2.115,382 1.194,383 1.756,385 2.68,386 1.079,387 2.5,388 1,389 3.468,390 1.957,391 1,392 1.5,394 2.426,395 0.954,396 1.971,397 0.488,398 3.081,399 1.426,400 0.485,401 0.717,403 1.165,404 0.455,405 0.953,406 0.207,407 2.409,408 0.407,409 -0.398,410 -0.505,412 -0.885,413 -0.247,414 0.77,415 -0.604,416 2,417 0.265,418 -0.633,419 -0.852,421 -1.645,422 -0.58,423 0.657,424 -0.84,425 2,426 0.131,427 -0.84,428 -1.258,430 -2.062,431 -0.814,432 0.5,433 -1,434 2,435 -0.059,436 -1,437 -1.5,439 -2.551,440 -0.935,441 0.009,442 -1.138,443 1.574,444 -0.494,445 -1.349,446 -1.825,448 -3.402,449 -1.061,450 -0.11,451 -1.491,452 1.311,453 -0.675,454 -1.515,455 -2.139,457 -4.383,458 -1.427,459 -0.375,460 -1.865,461 1.07,462 -0.895,463 -1.866,464 -2.604,466 -5.333,467 -1.791,468 7.814,469 0.488,470 0.329,471 0.021,472 25.25,473 1.578,474 14,475 0.875,476 11.25,477 0.703,478 8.164,479 0.51,480 15.586,481 0.678,482 14.039,483 0.877,484 5.025,485 0.314,486 2.818,487 0.176,488 0.091,490 0.32,496 0.813,497 1.287,498 0.491,499 0.803,500 0.709,501 0.712,502 0.736,503 0.935,504 0.624,505 0.797,506 0.692,507 0.796,508 0.973,509 1.131,510 0.868,511 0.99,512 0.912,513 0.981,514 0.908,515 1.004,516 0.99,517 1.114,518 0.942,519 1.148,520 0.813,521 1.05,522 0.771,523 1.009,524 0.782,525 1.088,526 1.121,527 0.945,528 1.178,529 0.995,530 1.172,531 0.974,532 1.552,533 0.628,534 1.941,535 1.19,536 1.725,537 1.172,538 1.701,539 0.915,540 2.1,541 1.349,542 1.775,543 1.305,544 2.5,546 1.778,547 1.069,548 0.609,549 0.24,550 0.216,551 0.071,552 0.02,554 1975,555 6840,556 2.174,557 30.4,559 3,560 1,561 2,562 1,567 1.553,568 2.087,569 2.736,570 -0.168,574 1,577 38.337,578 1.667,579 3.436,580 4.317,581 4.524,582 4.524,583 4.524,584 2.18,585 3.75,586 3.976,587 2.782,588 333.787,589 6.704,590 2802.14,592 1,595 104.042,596 1.198,597 3.954,598 0.139,600 0.071,601 0.046,602 0.032,603 0.016,604 0.018,605 0.012,606 0.01,608 0.345,609 0.83,610 1,611 0.5,612 63.029,613 -0.127,614 -0.239,615 0.004,616 -0.05,617 -0.118,618 -0.001,619 0.081,620 0.131,621 -0.013,622 -0.007,623 0.05,624 -0.044,625 -0.153,626 -0.179,627 -0.06,628 -0.072,629 -0.081,630 -0.058,631 -0.024,632 -0.035,633 -0.145,634 -0.2,635 -0.095,636 -0.237,637 0.022,638 -0.133,639 0.081,640 -0.016,641 0.068,642 -0.036,643 0.073,644 -0.041,645 0.121,646 0.092,647 0.057,648 0.132,649 -0.061,650 0.259,651 -0.23,652 -0.024,653 -0.123,654 -0.036,655 -0.287,656 -0.178,657 -0.189,658 -0.05,659 -0.178,660 -0.003,661 1.233,662 1.725,663 0.938,664 8.031,665 1.022,666 1.12,667 2.023,668 4.092,669 0.757,670 2.944,671 3.258,672 3.555,673 3.85,674 4.025,675 4.025,676 4.094,677 4.143,678 3.951,679 3.871,680 3.935,681 0.738,682 230.67,683 2.944,684 4.466,685 5.323,686 6.205,687 7.081,688 7.97,689 8.854,690 9.745,691 10.632,692 11.525,693 17.4,701 1,703 3,708 2,709 6,710 3,711 1,714 3,716 16,734 1,735 23,737 16,739 18,741 25,742 11,743 11,748 3,749 4,750 1,762 11,780 1,783 7,784 3,785 1,786 5,787 1,792 4,797 0.667,809 1,810 1,811 1,815 1,816 2,819 1,843 2,848 1,851 16,873 1,881 7.667,882 4.243,883 3.5,884 1.275,886 3.181,887 1.503,888 1.052,889 2.169,890 9.5,891 3.296,892 3.966,893 4.638,894 5.302,895 5.834,896 6.143,897 6.585,898 7.011,899 7.123,900 7.434,901 1,902 23,903 5.822,905 2.463,906 7.747,907 10.973,909 8.876,911 2.247,912 35.944,913 0.002,916 70.627,917 68.445,918 67.142,919 39.149,923 68.445,924 109.775,925 67.142,928 37.476,929 75.614,930 42.967,931 53.992,932 35.313,934 70.627,935 135.587,937 39.149,939 70.627,943 38.924,944 46.306,945 50.357,946 39.149,947 70.627,948 67.142,949 107.593,952 70.627,953 13.302,954 55.142,955 16.786,956 89.505,957 70.627,958 67.142,959 107.593,961 0.577,962 0.341,963 0.196,964 0.105,965 14,966 5,967 0.04,968 1,969 1,970 1.133,971 2.895,972 113.278,973 0.133,974 15,975 64,981 9.459,982 3.669,983 1.618,984 1.865,985 50.357,986 10.683,987 12.265,988 3.091,991 2.204,993 16.786,994 245.362,995 26,1007 23.498,1008 25.768,1009 0.368,1010 0.76,1011 0.954,1012 1,1013 1,1014 1,1015 4.489,1016 0.485,1017 5.293,1018 2.426,1019 3.932,1020 4.649,1022 6.107,1023 3.803,1024 5.714,1025 -0.398,1026 6.845,1027 1.165,1028 3.434,1029 4.407,1031 7.018,1032 3.236,1033 7.026,1034 -0.633,1035 8.502,1036 -0.885,1037 5.509,1038 6.953,1040 10.156,1041 5.303,1042 8.382,1043 -0.84,1044 10.226,1045 -1.645,1046 5.889,1047 7.618,1049 11.965,1050 5.661,1051 9.773,1052 -1,1053 11.994,1054 -2.062,1055 7.407,1056 9.57,1058 14.603,1059 7.158,1060 11.192,1061 -1.349,1062 13.792,1063 -2.551,1064 8.2,1065 10.675,1067 16.76,1068 7.949,1069 12.631,1070 -1.515,1071 15.613,1072 -3.402,1073 9.487,1074 12.369,1076 19.235,1077 9.212,1078 3.156,1079 -1.866,1080 17.451,1081 -4.383,1082 10.472,1083 13.688,1085 21.528,1086 10.194,1087 2.585,1088 10.902,1089 19.302,1090 -5.333,1091 11.666,1092 15.271,1094 23.947,1095 11.367,1096 2.103,1097 7.878,1098 21.162,1099 4.531,1100 12.738,1101 16.691,1103 26.296,1104 12.431,1105 1.547,1106 5.914,1107 23.03,1108 3.657,1109 13.897,1110 18.227,1112 28.695,1113 13.57,1114 1.484,1115 4.223,1116 24.904,1117 2.862,1118 15.009,1119 19.693,1121 31.067,1122 14.668,1123 1.194,1124 3.466,1125 26.784,1126 2.319,1127 16.156,1128 21.211,1130 33.459,1131 15.797,1132 1,1133 2.68,1134 28.667,1135 2.166,1136 17.286,1137 22.7,1139 35.84,1140 16.91,1141 1923,1142 3670,1143 12.425,1144 17.404,1145 27.389,1146 27.331,1147 27.777,1148 27.301,1149 27.109,1150 39.018,1152 77.306,1153 25.127,1154 5.248,1155 5.176,1156 6.391,1157 5.206,1158 5.156,1159 7.531,1161 18.054,1162 5.027,1163 4.574,1164 1.522,1165 1.518,1166 1.543,1167 1.517,1168 1.506,1169 2.168,1171 4.295,1172 1.396,1173 4.12,1174 4.159,1175 4.106,1176 4.011,1177 5.146,1178 4.025,1179 3.763,1180 3.811,1181 3.901,1182 3.614,1183 5.01,1184 3.631,1185 3.362,1186 3.427,1187 3.341,1188 3.214,1189 4.488,1190 3.218,1191 2.879,1192 2.95,1193 3.168,1194 2.667,1195 4.321,1196 2.694,1197 2.794,1198 2.854,1199 2.785,1200 2.625,1201 3.918,1202 2.624,1203 2.578,1204 2.639,1205 2.533,1206 2.417,1207 3.679,1208 2.417,1209 2.364,1210 2.444,1211 2.227,1212 2.196,1213 3.376,1214 2.193,1215 1.984,1216 2.115,1217 2.084,1218 1.686,1219 3.159,1220 1.678,1221 0.255,1222 0.176,1223 0.373,1224 0.23,1225 0.175,1226 4.594,1227 0.252,1228 3.176,1230 6.709,1231 0.606,1232 4.132,1233 0.171,1234 3.156,1235 4.531,1237 10.902,1238 3.083,1239 1.901,1240 1.874,1241 1.97,1242 2.012,1243 1.081,1244 2.001,1245 1.726,1246 1.682,1247 1.8,1248 1.912,1249 0.809,1250 1.888,1251 1.376,1252 1.313,1253 1.518,1254 1.609,1255 0.5,1256 1.595,1257 1.006,1258 0.957,1259 1.173,1260 1.156,1261 0.275,1262 1.168,1263 0.751,1264 0.684,1265 1.01,1266 0.956,1267 0.008,1268 0.986,1269 0.577,1270 0.496,1271 0.869,1272 0.837,1274 0.854,1275 0.347,1276 0.299,1277 0.383,1278 0.575,1280 0.551,1283 0.347,1284 0.176,1286 0.252,1287 3.611,1289 4.92,1290 2.398,1291 6.438,1292 4.727,1293 8.048,1294 6.843,1295 9.705,1298 5.836,1314 16.967,1315 38.337,1316 79.022,1317 99.287,1318 104.042,1319 104.042,1320 104.042,1321 14.228,1322 6.319,1323 54.46,1324 54.46,1325 17,1326 12.053,1327 4.087,1328 3.17,1329 21.717,1330 37,1331 32,1332 0.3,1333 109.124,1334 169.81,1335 258.023,1336 3827,1337 4.3,1338 10.958,1339 0.685,1340 0.559,1341 11.458,1342 8.94,1343 7.843,1344 0.436,1345 0.285,1346 4.708,1347 7.278,1348 4.598,1349 3.8,1350 8.132,1351 5.122,1352 6.981,1353 0.279,1354 0.149,1355 7.39,1356 3.715,1357 5.971,1358 0.176,1359 0.076,1360 6.233,1361 2.567,1362 5.234,1363 0.114,1364 0.039,1365 5.488,1366 1.796,1367 4.107,1368 0.075,1369 0.021,1370 4.312,1371 1.131,1372 0.442,1373 52.052,1374 0.284,1375 15.827,1376 0.905,1377 86,1378 265.472,1379 109.163,1380 292.87,1381 397.69,1382 274,1383 102,1384 277.229,1385 118.919,1386 292.242,1387 427.4,1388 275,1389 5.5}
{0 CHEMBL1973098,1 1.88,2 7.235,3 2.558,4 6.541,5 72.369,6 10.283,7 0.333,8 3.394,9 3.455,10 3.276,11 3.049,12 4.683,13 3.004,14 3.827,15 3.912,16 3.77,17 3.414,18 5.147,19 3.337,20 3.936,21 4.018,22 3.61,23 3.41,24 5.35,25 3.333,26 3.917,27 4.058,28 3.424,29 3.277,30 5.232,31 3.185,32 3.88,33 4.05,34 3.263,35 3.229,36 5.066,37 3.094,38 3.755,39 3.923,40 3.266,41 3.072,42 4.996,43 2.953,44 3.557,45 3.729,46 3.193,47 2.822,48 4.927,49 2.698,50 3.159,51 3.23,52 2.836,53 2.466,54 4.891,55 2.343,56 0.111,57 0.336,58 2.716,59 2.334,60 10.781,61 2.062,62 0.246,63 0.552,64 9.855,65 4.434,66 20.514,67 3.612,68 0.316,69 0.57,70 10.344,71 5.17,72 30.718,73 4.326,74 0.296,75 0.558,76 8.77,77 4.711,78 38.074,79 4.341,80 0.295,81 0.566,82 13.654,83 5.411,84 33.237,85 5.074,86 0.253,87 0.511,88 10.206,89 4.42,90 29.891,91 4.031,92 0.311,93 0.427,94 11.863,95 4.175,96 35.482,97 3.771,98 0.233,99 0.295,100 10.223,101 3.248,102 33.415,103 2.142,104 18,105 25,106 0.373,107 0.783,108 0.859,109 0.896,110 0.896,111 0.896,112 2.908,113 0.99,114 -2.37,115 -2.4,116 -2.36,119 42.3,124 1,135 1,138 1,142 3,143 1,144 2,158 1,159 1,172 4,175 1,178 1,180 2,183 5,188 4,191 1,193 3,196 3,200 3,205 2,208 2,213 2,218 3,221 1,225 2,230 1,237 1,241 1,243 1,253 1,254 1,276 296,277 11.179,278 11.179,279 11.179,280 11.179,281 11.179,282 9.949,283 10.189,284 6.469,285 11.717,286 8.799,287 8.799,288 8.799,289 8.799,290 8.799,291 6.782,292 8.549,293 2.993,294 9.616,295 2.821,296 0.75,297 0.366,298 0.183,299 0.183,300 0.183,301 3.554,305 1,306 1,307 252,308 2.236,311 47.816,312 55.594,319 1.073,320 21.236,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 37.5,332 123,333 4.322,334 4.866,335 6.165,336 3.908,337 2.967,338 3.938,339 4.503,340 9.153,341 2.81,342 4.161,343 3.688,344 6.047,345 3.755,346 2.819,347 3.562,348 1.059,349 8.667,350 2.628,351 3.567,352 3.152,353 5.218,354 3.164,355 2.209,356 2.855,357 0.86,358 6.508,359 2.108,360 3.286,361 3.116,362 4.748,363 2.691,364 1.829,365 2.43,366 0.524,367 5.063,368 1.516,369 2.885,370 2.276,371 4.208,372 2.463,373 1.531,374 2.022,376 3.838,377 1.419,378 2.754,379 1.981,380 4.124,381 2.191,382 1.265,383 1.676,385 3.509,386 1.135,387 1.74,388 1.692,389 2.993,390 1.43,391 0.543,392 0.63,394 0.961,395 0.476,396 1.346,397 0.941,398 2.84,399 1.036,400 0.131,401 0.151,403 0.279,404 0.116,405 1,406 0.836,407 2.278,408 0.543,409 -0.383,410 -0.483,412 -0.883,413 -0.339,414 0.968,415 0.545,416 2,417 0.299,418 -0.605,419 -0.869,421 -1.375,422 -0.506,423 0.585,424 0.079,425 2,426 0.121,427 -0.82,428 -1.079,430 -2.131,431 -0.757,432 0.365,433 -0.498,434 1.682,435 -0.102,436 -1,437 -1.263,439 -2.608,440 -0.906,441 -0.037,442 -0.641,443 1.307,444 -0.438,445 -1.386,446 -1.899,448 -3.582,449 -1.268,450 -0.414,451 -1.016,452 1.187,453 -0.724,454 -1.635,455 -2,457 -4.603,458 -1.442,459 -0.5,460 -1.261,461 1.033,462 -0.823,463 -1.716,464 -2,465 -0.76,466 -4.895,467 -1.512,468 8.567,469 0.504,470 0.489,471 0.029,472 21.5,473 1.265,474 11,475 0.647,476 10.5,477 0.618,478 11.454,479 0.674,480 17.833,481 0.686,482 13.992,483 0.823,484 4.372,485 0.257,486 3.724,487 0.219,488 0.233,490 0.35,496 0.906,497 0.886,498 0.624,499 0.667,500 0.772,501 0.699,502 0.892,503 0.908,504 0.566,505 0.691,506 0.641,507 0.701,508 0.949,509 1.084,510 1.024,511 1.116,512 1.048,513 1.111,514 1.087,515 0.933,516 0.732,517 0.817,518 0.943,519 1.035,520 0.996,521 0.94,522 1.017,523 0.925,524 0.872,525 1.003,526 0.995,527 1.021,528 0.871,529 0.926,530 1.116,531 1.015,532 0.759,533 0.889,534 0.981,535 0.997,536 1.013,537 0.81,538 1.011,539 1.598,540 2.126,541 2.064,542 0.892,543 1.508,544 4.5,546 2,547 1.604,548 0.733,549 0.452,550 0.319,551 0.255,552 0.132,554 2189,555 9303,556 1.96,557 34.6,559 7,562 2,567 1.569,568 1.789,569 2.899,570 0.526,574 1,577 48.873,578 1.88,579 3.95,580 4.335,581 4.518,582 4.518,583 4.518,584 2.257,585 3.572,586 4.062,587 2.995,588 407.317,589 6.864,590 3699.83,591 1,592 1,594 1,595 122.211,596 1.549,597 3.989,598 0.25,600 0.08,601 0.07,602 0.041,603 0.028,604 0.023,605 0.021,606 0.017,608 0.529,609 0.67,610 1,611 0.972,612 70.246,613 -0.154,614 0.058,615 -0.004,616 0.086,617 -0.15,618 0.068,619 -0.022,620 0.053,621 0.249,622 0.188,623 0.015,624 0.152,625 0.019,626 -0.19,627 -0.173,628 -0.209,629 -0.059,630 -0.231,631 -0.141,632 -0.06,633 0.017,634 -0.014,635 -0.043,636 -0.101,637 -0.133,638 -0.025,639 -0.067,640 0.018,641 -0.054,642 0.035,643 -0.093,644 -0.061,645 0.057,646 -0.011,647 -0.131,648 -0.014,649 0.334,650 0.129,651 0.219,652 0.109,653 0.082,654 0.276,655 0.331,656 -0.471,657 -0.565,658 -0.657,659 0.512,660 -0.523,661 1.868,662 4.442,663 0.647,664 10.201,665 1.03,666 1.101,667 1.14,668 1.299,669 0.758,670 2.944,671 3.258,672 3.466,673 3.664,674 3.738,675 3.611,676 3.689,677 3.714,678 3.638,679 3.434,680 4.52,681 0.717,682 267.35,683 2.944,684 4.466,685 5.293,686 6.159,687 7.004,688 7.869,689 8.72,690 9.584,691 10.439,692 11.301,693 3.8,700 1,709 3,714 3,716 6,732 1,733 1,735 26,737 9,738 1,739 18,741 27,742 11,743 6,744 3,745 3,746 3,748 2,749 2,762 10,763 1,767 3,772 1,773 1,774 1,776 3,780 1,783 9,784 4,785 2,786 6,787 2,792 1,794 1,797 1,798 3,815 1,816 1,834 2,840 1,843 2,845 2,847 1,851 17,857 1,860 1,861 1,862 1,874 11.5,876 1,877 1,879 1,881 9.5,882 4.95,883 3.806,884 1.286,886 1.909,887 1.322,888 0.927,889 3.71,890 7.841,891 3.219,892 3.773,893 4.252,894 4.735,895 5.197,896 5.338,897 5.641,898 5.921,899 6.055,900 5.973,901 0.8,902 23,903 6.223,905 2.606,906 8.118,907 11.397,909 8.916,911 2.618,912 44.5,913 0.001,916 82.398,917 140.884,918 18.011,920 78.828,922 77.412,923 63.472,924 161.226,925 18.011,926 10.883,927 18.011,928 37.905,929 74.084,930 19.429,932 114.617,933 45.192,934 82.398,935 81.483,936 78.828,937 77.412,939 82.398,940 78.828,943 18.011,944 52.445,945 11.027,946 77.412,947 82.398,948 96.839,949 140.884,952 82.398,953 46.904,954 48.788,955 18.011,956 124.02,957 82.398,958 96.839,959 140.884,961 0.583,962 0.342,963 0.177,964 0.087,965 12,966 6,967 0.074,968 2,970 1,971 2.892,972 113.236,974 11,975 69.487,977 1,978 1,981 12.419,982 5.079,983 2.8,985 96.839,986 4.86,991 1.195,993 60.694,994 320.121,995 24,1000 11.442,1001 4.884,1002 1.696,1004 0.779,1007 26.771,1008 28.627,1009 0.4,1010 0.84,1011 0.922,1012 0.961,1013 0.961,1014 0.961,1015 4.449,1016 0.131,1017 5.293,1018 0.961,1019 3.932,1020 4.454,1021 3.767,1022 6.075,1023 3.783,1024 5.664,1025 -0.383,1026 6.845,1027 0.279,1028 3.611,1029 4.35,1030 3.036,1031 6.899,1032 3.399,1033 6.976,1034 -0.605,1035 8.488,1036 -0.883,1037 5.509,1038 6.585,1039 6.564,1040 9.933,1041 5.25,1042 8.318,1043 -0.82,1044 10.18,1045 -1.375,1046 5.943,1047 7.203,1048 6.466,1049 11.519,1050 5.611,1051 9.685,1052 -1,1053 11.901,1054 -2.131,1055 7.354,1056 8.978,1057 9.498,1058 14.059,1059 6.991,1060 11.07,1061 -1.386,1062 13.643,1063 -2.608,1064 8.132,1065 9.934,1066 9.734,1067 15.977,1068 7.689,1069 12.467,1070 -1.635,1071 15.4,1072 -3.582,1073 9.345,1074 11.508,1075 12.447,1076 18.321,1077 8.871,1078 2.967,1079 -1.716,1080 17.168,1081 -4.603,1082 10.282,1083 12.639,1084 12.919,1085 20.389,1086 9.729,1087 2.819,1088 9.153,1089 18.944,1090 -4.895,1091 11.412,1092 14.115,1093 15.402,1094 22.65,1095 10.822,1096 2.209,1097 8.667,1098 20.727,1099 3.938,1100 12.421,1101 15.341,1102 16.056,1103 24.787,1104 11.757,1105 1.829,1106 6.508,1107 22.515,1108 3.562,1109 13.517,1110 16.764,1111 18.364,1112 27.013,1113 12.809,1114 1.531,1115 5.063,1116 24.308,1117 2.855,1118 14.559,1119 18.044,1120 19.161,1121 29.182,1122 13.784,1123 1.265,1124 3.838,1125 26.104,1126 2.43,1127 15.64,1128 19.439,1129 21.331,1130 31.392,1131 14.817,1132 0.543,1133 3.509,1134 27.902,1135 2.022,1136 16.698,1137 20.751,1138 22.245,1139 33.576,1140 15.812,1141 2278,1142 4792,1143 11.444,1144 19.71,1145 26.789,1146 30.617,1147 28.243,1148 26.608,1149 26.587,1150 34.526,1151 13.892,1152 75.954,1153 24.418,1154 5.098,1155 6.866,1156 5.688,1157 4.999,1158 4.967,1159 6.938,1160 8.638,1161 15.413,1162 4.81,1163 9.689,1164 1.488,1165 1.701,1166 1.569,1167 1.478,1168 1.477,1169 1.918,1170 0.772,1171 4.22,1172 1.357,1173 3.953,1174 3.965,1175 4.199,1176 3.901,1177 7.429,1178 3.888,1179 3.7,1180 3.705,1181 3.858,1182 3.667,1183 6.47,1184 3.602,1185 3.261,1186 3.321,1187 3.407,1188 3.102,1189 4.815,1190 3.05,1191 3.088,1192 3.121,1193 3.067,1194 2.945,1195 4.751,1196 2.928,1197 2.806,1198 2.839,1199 2.941,1200 2.701,1201 4.397,1202 2.68,1203 2.763,1204 2.766,1205 2.812,1206 2.611,1207 3.937,1208 2.591,1209 2.59,1210 2.607,1211 2.565,1212 2.359,1213 3.536,1214 2.347,1215 2.083,1216 2.161,1217 2.237,1218 1.76,1219 3.427,1220 1.649,1221 0.24,1222 0.27,1223 0.343,1224 0.217,1225 0.165,1226 4.322,1227 0.219,1228 4.866,1229 0.25,1230 6.165,1231 0.508,1232 3.908,1233 0.156,1234 2.967,1235 3.938,1236 4.503,1237 9.153,1238 2.81,1239 1.903,1240 1.89,1241 1.986,1242 1.993,1243 1.099,1244 1.991,1245 1.446,1246 1.443,1247 1.586,1248 1.644,1249 0.63,1250 1.611,1251 1.254,1252 1.259,1253 1.484,1254 1.507,1255 0.555,1256 1.518,1257 1.182,1258 1.112,1259 1.19,1260 1.326,1261 0.253,1262 1.37,1263 0.834,1264 0.813,1265 1.075,1266 1.014,1267 0.158,1268 1.036,1269 0.759,1270 0.711,1271 0.874,1272 0.981,1274 0.992,1275 0.333,1276 0.301,1277 0.516,1278 0.652,1280 0.659,1283 0.438,1284 0.38,1286 0.416,1287 3.611,1289 4.92,1290 2.398,1291 6.409,1292 4.727,1293 7.977,1294 6.763,1295 9.587,1297 1.47,1302 9.439,1305 2.534,1306 4.986,1307 1.215,1314 18.647,1315 48.873,1316 102.702,1317 112.702,1318 117.457,1319 117.457,1320 117.457,1321 29.269,1322 5.932,1323 62.32,1324 122.65,1325 11,1326 11.851,1327 3.322,1328 2.807,1329 28.453,1330 46,1331 38,1332 0.316,1333 124.98,1334 221.79,1335 296.711,1336 2232,1338 12.414,1339 0.73,1340 0.619,1341 13.267,1342 10.523,1343 8.097,1344 0.45,1345 0.33,1346 4.738,1347 7.108,1348 4.5,1349 3.744,1350 8.793,1351 5.943,1352 7.374,1353 0.295,1354 0.2,1355 8.613,1356 5.002,1357 5.916,1358 0.191,1359 0.107,1360 6.931,1361 3.306,1362 4.725,1363 0.124,1364 0.063,1365 5.906,1366 2.401,1367 3.382,1368 0.082,1369 0.035,1370 4.303,1371 1.436,1372 0.482,1373 58.227,1374 0.296,1375 17.037,1376 0.9,1377 86,1378 317.674,1379 140.377,1380 344.625,1381 449.18,1382 318,1383 99,1384 284.58,1385 137.147,1386 313.171,1387 455.01,1388 291,1389 5.1}
{0 CHEMBL1973142,1 2.083,2 5.833,3 2.435,4 5.927,5 72.492,6 11.661,7 0.526,8 3.395,9 3.47,10 3.372,11 3.099,12 4.703,13 3.053,14 3.843,15 3.934,16 3.848,17 3.505,18 5.259,19 3.429,20 4.037,21 4.115,22 4.113,23 3.602,24 5.467,25 3.523,26 3.994,27 4.083,28 4.004,29 3.57,30 5.391,31 3.468,32 3.949,33 4.044,34 3.899,35 3.399,36 5.433,37 3.342,38 3.976,39 4.096,40 3.699,41 3.2,42 5.798,43 3.149,44 3.792,45 3.976,46 3.054,47 2.765,48 5.374,49 2.613,50 3.079,51 3.411,52 1.018,53 1.894,54 3.862,55 1.491,56 0.137,57 0.362,58 0.91,59 1.924,60 17.581,61 1.689,62 0.266,63 0.543,64 4.053,65 3.713,66 34.994,67 3.871,68 0.467,69 0.641,70 12.368,71 4.946,72 66.389,73 3.419,74 0.35,75 0.61,76 16.475,77 5.506,78 41.474,79 4.764,80 0.366,81 0.548,82 9.596,83 4.199,84 48.089,85 3.255,86 0.571,87 0.532,88 12.033,89 4.971,90 93.582,91 4.264,92 0.629,93 0.377,94 16.327,95 4.385,96 94.99,97 3.561,98 0.271,99 0.175,100 17.857,101 3.168,102 35.071,103 3.909,104 42,105 28,106 0.409,107 0.776,108 0.843,109 0.873,110 0.873,111 0.873,112 2.963,113 1.021,114 -3.72,115 -3.69,116 -3.51,119 42.3,120 1,142 2,143 1,144 3,152 2,158 2,163 1,164 1,165 1,172 1,175 1,177 1,178 2,180 2,183 5,188 1,193 2,196 6,198 1,200 2,203 1,204 1,205 3,207 1,208 3,210 1,213 2,218 3,221 2,223 1,224 1,225 5,227 1,228 1,230 3,233 2,235 3,238 3,243 1,246 2,248 1,276 344,277 11.414,278 11.414,279 11.414,280 11.414,281 11.414,282 9.808,283 11.831,284 6.498,285 11.769,286 9.33,287 9.33,288 9.33,289 9.33,290 9.33,291 6.87,292 15.227,293 3.044,294 10.097,295 2.617,296 0.75,297 0.414,298 0.26,299 0.26,300 0.26,301 3.604,302 2,305 1,306 1,307 210,308 3.162,311 35.153,312 43.879,315 67.037,319 0.87,320 27.472,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 39.667,332 105,333 4.749,334 3.653,335 7.012,336 4.261,337 3.324,338 4.715,339 1.907,340 11.956,341 3.099,342 4.054,343 3.486,344 6.161,345 3.614,346 2.697,347 3.551,348 0.98,349 8.751,350 2.463,351 3.573,352 3.397,353 5.482,354 3.225,355 2.227,356 2.931,357 0.149,358 6.62,359 2.205,360 3.55,361 2.793,362 5.165,363 3.039,364 2.135,365 2.781,367 6.067,368 1.822,369 3.242,370 2.147,371 4.605,372 2.742,373 1.783,374 2.497,376 4.741,377 1.665,378 2.754,379 2.028,380 4.213,381 2.25,382 1.308,383 1.774,385 3.4,386 1.18,387 2.313,388 1.344,389 3.638,390 1.713,391 0.851,392 1.199,394 2.203,395 0.695,396 1.465,397 0.864,398 2.803,399 0.915,400 0.19,401 0.229,403 0.423,404 0.11,405 1.154,406 0.569,407 2.706,408 0.754,409 -0.15,410 -0.179,412 -0.409,413 -0.126,414 0.634,415 0.213,416 2.378,417 0.109,418 -0.806,419 -1.041,421 -2,422 -0.579,423 0.517,424 0.035,425 2.141,426 0.07,427 -1,428 -1.165,430 -2,431 -0.914,432 0.371,433 -0.352,434 1.784,435 0.047,436 -1,437 -1.389,439 -2.236,440 -1.008,441 0.099,442 -0.804,443 1.5,444 -0.2,445 -1.099,446 -1.576,448 -3.208,449 -1.035,450 -0.02,451 -1.001,452 1.363,453 -0.556,454 -1.355,455 -1.736,457 -3.623,458 -1.1,459 -0.17,460 -1.229,461 1.224,462 -0.729,463 -1.421,464 -1.906,466 -4.349,467 -1.25,468 9.229,469 0.513,470 0.672,471 0.037,472 22.75,473 1.264,474 11.5,475 0.639,476 11.25,477 0.625,478 14.833,479 0.824,480 18.971,481 0.73,482 14.924,483 0.829,484 4.43,485 0.246,486 3.983,487 0.221,488 0.325,490 0.433,496 0.714,497 0.882,498 0.565,499 0.581,500 0.663,501 0.596,502 0.531,503 0.897,504 0.603,505 0.658,506 0.488,507 0.632,508 1.243,509 1.053,510 0.958,511 0.91,512 1.277,513 0.788,514 0.796,515 1.186,516 1.144,517 1.25,518 0.744,519 1.024,520 1.161,521 1.232,522 0.865,523 1.037,524 1.205,525 1.068,526 0.907,527 1.286,528 1.038,529 1.337,530 0.964,531 1.3,532 1.636,533 0.71,534 1.491,535 1.116,536 1.781,537 1.482,538 1.043,539 0.335,540 1.577,541 0.959,542 0.744,543 1.147,544 4.5,546 2.444,547 1.917,548 1.614,549 1.053,550 0.357,551 0.056,554 2098,555 10432,556 1.901,557 30.8,559 2,562 3,563 3,567 1.599,568 1.688,569 2.58,570 1.306,574 1,577 54.158,578 2.083,579 3.95,580 4.287,581 4.441,582 4.441,583 4.441,584 1.907,585 3.614,586 4.14,587 2.701,588 413.317,589 7.087,590 3897.69,591 1,592 1,594 1,595 122.211,596 1.53,597 4.036,598 0.237,600 0.087,601 0.066,602 0.058,603 0.044,604 0.019,605 0.009,608 0.52,609 0.5,610 1,611 1.344,612 73.652,613 -0.14,614 0.211,615 -0.022,616 0.166,617 -0.127,618 0.128,619 0.137,620 0.122,621 0.121,622 0.229,623 0.15,624 0.23,625 -0.254,626 -0.019,627 0.015,628 0.103,629 -0.276,630 0.063,631 0.018,632 -0.148,633 -0.099,634 -0.179,635 -0.017,636 -0.107,637 -0.178,638 -0.245,639 -0.008,640 -0.174,641 -0.196,642 -0.235,643 0.27,644 -0.365,645 -0.089,646 -0.391,647 0.363,648 -0.349,649 -0.233,650 0.092,651 -0.301,652 -0.161,653 -0.287,654 -0.361,655 -0.036,656 0.33,657 -0.04,658 0.243,659 0.004,660 0.522,661 2.285,662 4.374,663 0.5,664 10.679,665 1.043,666 1.111,667 2.49,668 6.202,669 0.782,670 2.996,671 3.367,672 3.638,673 3.951,674 4.19,675 4.277,676 4.174,677 4.094,678 3.85,679 3.219,680 3.975,681 0.747,682 303.18,683 2.996,684 4.554,685 5.416,686 6.33,687 7.229,688 8.15,689 9.062,690 9.985,691 10.901,692 11.825,693 7.7,700 2,708 2,709 2,713 1,714 4,716 10,722 1,734 2,735 26,737 12,738 1,739 19,741 27,742 11,743 8,744 4,745 2,746 1,748 2,749 3,750 2,754 1,762 10,763 1,767 2,772 2,776 2,780 1,783 8,784 4,785 3,786 7,787 3,792 2,797 0.5,798 2,815 1,816 1,819 1,829 1,843 1,845 1,847 1,848 2,851 18,852 1,860 1,869 1,873 2,874 7.7,877 2,881 10.667,882 5.036,883 3.917,884 1.349,886 2.323,887 1.374,888 0.987,889 3.798,890 8.542,891 3.296,892 3.975,893 4.594,894 5.275,895 5.848,896 6.258,897 6.537,898 6.831,899 6.778,900 6.409,901 0.75,902 29,903 6.609,905 2.861,906 8.272,907 11.931,909 9.604,911 2.772,912 49.889,916 58.856,917 82.9,918 50.908,919 78.297,920 50.29,922 31.278,923 51.622,924 187.443,925 50.908,926 8.825,927 50.908,928 18.952,929 59.699,930 12.331,931 2.104,932 90.133,933 78.297,934 58.856,935 102.53,936 50.29,937 109.575,939 58.856,940 50.29,943 59.733,944 42.797,945 78.297,946 31.278,947 58.856,948 101.198,949 161.197,952 58.856,953 55.122,954 27.778,955 18.011,956 161.484,957 58.856,958 101.198,959 161.197,961 0.597,962 0.341,963 0.19,964 0.12,965 14,966 8,967 0.074,968 2,969 1,970 1.222,971 2.789,972 131.615,973 0.222,974 9,975 75.059,977 1,981 13.584,982 5.032,983 2.487,984 1.278,985 101.198,986 3.358,990 1.165,991 1.22,993 50.908,994 321.25,995 26,1000 22.566,1004 -0.93,1007 27.116,1008 28.884,1009 0.443,1010 0.84,1011 0.912,1012 0.945,1013 0.945,1014 0.945,1015 4.549,1016 0.19,1017 5.46,1018 2.203,1019 4.043,1020 4.659,1021 2.194,1022 6.347,1023 3.886,1024 5.819,1025 -0.15,1026 7.077,1027 0.423,1028 3.892,1029 4.783,1030 1.593,1031 7.427,1032 3.652,1033 7.174,1034 -0.806,1035 8.796,1036 -0.409,1037 5.707,1038 6.997,1039 3,1040 10.57,1041 5.421,1042 8.566,1043 -1,1044 10.57,1045 -2,1046 6.312,1047 7.91,1048 3.032,1049 12.476,1050 5.926,1051 9.988,1052 -1,1053 12.381,1054 -2,1055 7.701,1056 9.693,1057 4.068,1058 15.178,1059 7.279,1060 11.434,1061 -1.099,1062 14.218,1063 -2.236,1064 8.638,1065 10.963,1066 4.409,1067 17.429,1068 8.118,1069 12.899,1070 -1.355,1071 16.075,1072 -3.208,1073 9.886,1074 12.593,1075 5.259,1076 19.982,1077 9.321,1078 3.324,1079 -1.421,1080 17.948,1081 -3.623,1082 10.969,1083 14.024,1084 5.75,1085 22.371,1086 10.316,1087 2.697,1088 11.956,1089 19.833,1090 -4.349,1091 12.172,1092 15.6,1093 6.504,1094 24.874,1095 11.465,1096 2.227,1097 8.751,1098 21.729,1099 4.715,1100 13.318,1101 17.099,1102 7.068,1103 27.318,1104 12.531,1105 2.135,1106 6.62,1107 23.632,1108 3.551,1109 14.511,1110 18.656,1111 7.772,1112 29.805,1113 13.662,1114 1.783,1115 6.067,1116 25.543,1117 2.931,1118 15.685,1119 20.184,1120 8.374,1121 32.27,1122 14.761,1123 1.308,1124 4.741,1125 27.459,1126 2.781,1127 16.876,1128 21.735,1129 9.051,1130 34.752,1131 15.888,1132 0.851,1133 3.4,1134 29.38,1135 2.497,1136 18.063,1137 23.276,1138 9.674,1139 37.227,1140 17.003,1141 2274,1142 5134,1143 11.561,1144 20.33,1145 29.508,1146 31.276,1147 31.289,1148 28.95,1149 29.031,1150 39.355,1151 6.072,1152 88.319,1153 26.478,1154 5.503,1155 5.653,1156 6.302,1157 5.386,1158 5.324,1159 7.715,1160 3.306,1161 19.378,1162 5.099,1163 11.891,1164 1.553,1165 1.646,1166 1.647,1167 1.524,1168 1.528,1169 2.071,1170 0.32,1171 4.648,1172 1.394,1173 4.097,1174 4.095,1175 4.389,1176 4.123,1177 7.438,1178 4.073,1179 3.589,1180 3.624,1181 3.911,1182 3.463,1183 7.429,1184 3.451,1185 3.472,1186 3.502,1187 3.477,1188 3.277,1189 5.067,1190 3.282,1191 3.112,1192 3.166,1193 3.393,1194 2.922,1195 4.883,1196 2.914,1197 2.939,1198 2.948,1199 3.27,1200 2.871,1201 4.527,1202 2.862,1203 2.637,1204 2.737,1205 2.872,1206 2.354,1207 4.429,1208 2.34,1209 2.383,1210 2.466,1211 2.706,1212 2.174,1213 4.027,1214 2.106,1215 2.168,1216 2.188,1217 2.243,1218 1.879,1219 3.739,1220 1.838,1221 0.25,1222 0.192,1223 0.369,1224 0.224,1225 0.175,1226 4.749,1227 0.248,1228 3.653,1229 0.1,1230 7.012,1231 0.629,1232 4.261,1233 0.163,1234 3.324,1235 4.715,1236 1.907,1237 11.956,1238 3.099,1239 1.911,1240 1.907,1241 1.92,1242 1.954,1243 1.145,1244 1.962,1245 1.598,1246 1.588,1247 1.727,1248 1.776,1249 0.783,1250 1.771,1251 1.391,1252 1.353,1253 1.521,1254 1.641,1255 0.65,1256 1.623,1257 1.001,1258 0.957,1259 1.23,1260 1.265,1261 0.22,1262 1.277,1263 0.906,1264 0.901,1265 0.849,1266 0.941,1268 1.004,1269 0.655,1270 0.593,1271 0.836,1272 0.869,1274 0.899,1275 0.423,1276 0.335,1277 0.679,1278 0.762,1280 0.765,1283 0.192,1284 0.455,1286 0.381,1287 3.664,1289 5.017,1290 2.398,1291 6.558,1292 4.844,1293 8.197,1294 7.066,1295 9.894,1297 1.34,1298 12.033,1301 5.286,1305 2.573,1314 19.422,1315 54.158,1316 102.702,1317 111.457,1318 115.457,1319 115.457,1320 115.457,1321 40.336,1322 6.219,1323 72.19,1324 100.43,1325 11,1326 12.332,1327 3.7,1328 3,1329 30.543,1330 42,1331 38,1332 0.384,1333 133.313,1334 225.01,1335 317.043,1336 2936,1337 7.7,1338 13.447,1339 0.747,1340 0.641,1341 14.801,1342 11.541,1343 8.414,1344 0.443,1345 0.34,1346 4.971,1347 7.172,1348 4.684,1349 3.854,1350 9.399,1351 6.466,1352 8.188,1353 0.292,1354 0.194,1355 9.508,1356 5.423,1357 6.261,1358 0.169,1359 0.115,1360 8.141,1361 4.244,1362 5.208,1363 0.102,1364 0.06,1365 6.696,1366 3.085,1367 4.332,1368 0.067,1369 0.036,1370 5.895,1371 2.309,1372 0.554,1373 62.767,1374 0.294,1375 17.301,1376 1.223,1377 94,1378 344.383,1379 158.171,1380 412.432,1381 526.46,1382 378,1383 112,1384 311.84,1385 173.168,1386 350.98,1387 517.46,1388 329,1389 5.4}
{0 CHEMBL1973145,1 1.676,2 12.429,3 3.237,4 10.478,5 114.23,6 8.489,7 0.71,8 3.95,9 4.074,10 3.662,11 3.555,12 5.164,13 3.527,14 4.396,15 4.54,16 4.046,17 3.936,18 5.64,19 3.883,20 4.601,21 4.775,22 4.038,23 4.025,24 5.743,25 3.959,26 4.673,27 4.876,28 4.096,29 4.01,30 5.846,31 3.921,32 4.655,33 4.863,34 3.848,35 3.91,36 5.832,37 3.803,38 4.511,39 4.748,40 3.657,41 3.721,42 5.631,43 3.632,44 4.324,45 4.541,46 3.508,47 3.59,48 5.437,49 3.514,50 4.254,51 4.476,52 3.469,53 3.573,54 5.33,55 3.462,56 0.08,57 0.746,58 8.137,59 3.684,60 12.791,61 4.263,62 0.274,63 1.147,64 15.222,65 6.66,66 25.76,67 8.193,68 0.218,69 1.335,70 18.294,71 7.483,72 29.738,73 8.995,74 0.23,75 1.406,76 23.61,77 8.897,78 33.276,79 11.364,80 0.355,81 1.337,82 28.239,83 9.139,84 51.381,85 10.048,86 0.284,87 1.109,88 22.451,89 7.589,90 44.355,91 9.393,92 0.264,93 0.938,94 16.031,95 5.53,96 38.615,97 6.99,98 0.173,99 0.877,100 15.632,101 6.358,102 22.325,103 8.278,104 17,105 44,106 0.283,107 0.628,108 0.75,109 0.845,110 0.863,111 0.87,112 3.374,113 0.912,114 -4.37,115 -4.3,116 -4.06,119 43.5,120 1,142 8,143 4,144 2,147 1,150 1,151 1,159 1,161 1,163 2,164 2,165 2,172 11,174 1,175 3,177 3,178 5,179 1,180 5,183 15,185 1,188 2,193 5,196 10,198 1,200 7,202 1,203 1,204 1,205 11,207 2,208 5,210 4,211 1,213 8,218 8,221 2,223 3,225 7,230 7,233 4,235 3,238 1,243 4,246 8,248 2,250 1,253 2,254 1,255 3,257 1,258 10,260 2,264 1,269 1,272 8,276 1116,277 18.756,278 18.756,279 18.756,280 18.756,281 18.756,282 15.938,283 20.473,284 10.974,285 19.21,286 15.331,287 15.331,288 15.331,289 15.331,290 15.331,291 11.109,292 29.218,293 5.258,294 16.072,295 3.848,296 1.8,297 1.076,298 0.511,299 0.408,300 0.364,301 4.07,305 1,306 1,307 760,308 3.082,311 65.647,312 273.301,315 122.805,319 2.041,320 23.599,323 0.75,324 0.83,325 0.83,326 0.5,328 0.67,329 0.5,330 0.58,331 60,332 348,333 4.683,334 3.563,335 6.892,336 4.206,337 3.246,338 4.649,339 1.656,340 11.528,341 3.125,342 4.108,343 3.264,344 5.887,345 3.721,346 2.75,347 3.702,348 0.247,349 8.204,350 2.666,351 4.048,352 2.746,353 5.619,354 3.623,355 2.649,356 3.655,358 7.777,359 2.577,360 3.789,361 2.688,362 5.397,363 3.407,364 2.444,365 3.199,367 7.118,368 2.347,369 3.554,370 2.423,371 5.063,372 3.125,373 2.16,374 2.883,376 5.934,377 2.082,378 3.416,379 2.141,380 5.026,381 2.936,382 2,383 2.774,385 5.774,386 1.875,387 3.333,388 2.094,389 4.889,390 2.858,391 1.969,392 2.613,394 5.633,395 1.729,396 3.143,397 2.058,398 4.516,399 2.717,400 1.719,401 2.332,403 4.642,404 1.696,405 2.687,406 1.286,407 4.239,408 2.193,409 1.226,410 1.769,412 3.492,413 1.185,414 2.655,415 1.24,416 3.587,417 2.161,418 1.175,419 1.723,421 2.586,422 1.146,423 2.5,424 1,425 3.479,426 2,427 1,428 1.5,430 2.275,431 1,432 2.247,433 0.842,434 3.414,435 1.627,436 0.797,437 1.138,439 2.05,440 0.644,441 1.342,442 0.638,443 2.964,444 1.034,445 0.088,446 0.104,448 0.238,449 0.083,450 1.184,451 0.286,452 2.702,453 0.778,454 -0.2,455 -0.258,457 -0.509,458 -0.191,459 1.092,460 -0.129,461 2.579,462 0.618,463 -0.316,464 -0.426,466 -0.816,467 -0.296,468 13.567,469 0.485,470 0.767,471 0.027,472 41.75,473 1.491,474 23.5,475 0.839,476 18.25,477 0.652,478 19.386,479 0.692,480 28.433,481 0.618,482 30.254,483 1.08,484 8.153,485 0.291,486 5.338,487 0.191,488 0.12,490 0.369,496 0.989,497 1.034,498 0.745,499 0.745,500 0.897,501 0.732,502 0.325,503 0.909,504 0.777,505 0.953,506 0.404,507 0.882,508 1.173,509 1.102,510 0.916,511 0.926,512 1.04,513 1.009,514 0.746,515 1.197,516 0.826,517 1.118,518 0.709,519 1.041,520 1.604,521 1.109,522 1.528,523 1.27,524 1.582,525 1.134,526 1.306,527 0.977,528 0.979,529 0.919,530 1.316,531 0.918,532 1.438,533 0.935,534 0.907,535 0.824,536 1.504,537 0.973,538 0.531,539 0.902,540 0.844,541 1.03,542 0.65,543 1.061,544 6.5,545 0.099,546 2.667,547 2.375,548 1.739,549 0.858,550 0.488,551 0.367,552 0.205,553 0.243,554 10960,555 31423,556 2.094,557 39.1,558 3,559 8,560 1,562 6,567 1.704,568 1.953,569 3.569,570 3.356,571 1,572 1,577 77.077,578 1.676,579 3.724,580 4.447,581 5.012,582 5.116,583 5.159,584 3.098,585 3.941,586 4.779,587 3.772,588 1425.72,589 8.275,590 19446,592 1,594 1,595 254.084,596 1.432,597 4.736,598 0.21,599 0.005,600 0.061,601 0.055,602 0.042,603 0.026,604 0.017,605 0.015,606 0.009,607 0.012,608 0.451,609 0.17,610 1,611 0.573,612 142.903,613 -0.194,614 0.09,615 0.021,616 0.152,617 -0.219,618 0.114,619 0.45,620 0.156,621 0.106,622 0.024,623 0.239,624 0.032,625 -0.221,626 -0.072,627 -0.098,628 -0.03,629 -0.183,630 -0.106,631 0.14,632 -0.228,633 0.162,634 -0.116,635 0.166,636 -0.052,637 -0.325,638 -0.097,639 -0.321,640 -0.171,641 -0.193,642 -0.162,643 -0.156,644 -0.048,646 0.039,647 -0.074,648 0.081,649 -0.278,650 0.017,651 -0.095,652 0.033,653 -0.275,654 -0.031,655 0.214,656 0.008,657 0.05,658 -0.069,659 0.103,660 -0.034,661 1.965,662 5.193,663 0.75,664 28.143,665 1.007,666 1.122,667 3.14,668 9.86,669 0.711,670 3.466,671 3.807,672 4.06,673 4.369,674 4.543,675 4.615,676 4.691,677 4.836,678 4.844,679 4.92,680 7.329,681 0.678,682 390.51,683 3.466,684 5.017,685 5.866,686 6.756,687 7.62,688 8.514,689 9.387,690 10.284,691 11.162,692 12.062,693 13,697 2,700 2,703 2,708 2,709 9,710 2,713 1,714 7,716 22,727 2,735 46,737 23,738 2,739 31,741 49,742 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 18,784 7,785 6,786 8,787 1,792 6,797 0.75,798 1,810 1,815 1,816 3,819 1,843 3,845 1,847 1,851 28,852 2,860 2,869 1,874 2.2,877 1,881 14.333,882 8.4,883 6.028,884 2.45,886 4.115,887 1.535,888 1.044,889 5.048,890 11.807,891 3.784,892 4.446,893 5.049,894 5.706,895 6.232,896 6.554,897 6.951,898 7.414,899 7.654,900 7.999,901 1,902 43,903 10.273,905 4.388,906 7.804,907 19.353,909 15.787,911 2.304,912 64.5,915 1,916 141.253,917 150.025,918 135.387,920 25.145,922 31.278,923 118.747,924 166.398,925 135.387,926 8.825,927 36.022,928 149.253,929 59.033,930 17.643,931 20.274,932 160.76,934 141.253,935 254.134,936 25.145,937 31.278,939 141.253,940 25.145,943 47.063,944 173.5,945 33.571,946 31.278,947 141.253,948 160.532,949 150.025,952 141.253,953 57.741,954 92.284,955 36.022,956 124.51,957 141.253,958 160.532,959 150.025,961 0.587,962 0.334,963 0.19,964 0.099,965 22,966 10,967 0.061,968 3,969 1,970 1.095,971 4.045,972 240.372,973 0.095,974 21,975 125.851,977 1,981 18.504,982 7.639,983 4.046,984 1.539,985 160.532,986 17.101,987 8.274,990 1.463,991 4.922,993 101.816,994 451.81,995 43,1000 12.193,1004 -0.299,1007 46.316,1008 51.61,1009 0.303,1010 0.674,1011 0.805,1012 0.907,1013 0.926,1014 0.934,1015 5.014,1016 1.719,1017 5.861,1018 5.633,1019 4.489,1020 5.133,1021 1.758,1022 6.671,1023 4.401,1024 6.249,1025 1.226,1026 7.415,1027 4.642,1028 4.111,1029 4.997,1030 1.195,1031 7.548,1032 4.001,1033 7.567,1034 1.175,1035 9.065,1036 3.492,1037 6.08,1038 7.397,1039 2.415,1040 10.665,1041 5.919,1042 8.92,1043 1,1044 10.772,1045 2.586,1046 6.479,1047 8.07,1048 2.324,1049 12.417,1050 6.293,1051 10.301,1052 0.797,1053 12.518,1054 2.275,1055 7.946,1056 9.961,1057 3.244,1058 15.074,1059 7.72,1060 11.705,1061 0.088,1062 14.294,1063 2.05,1064 8.726,1065 11.051,1066 3.407,1067 17.23,1068 8.469,1069 13.129,1070 -0.2,1071 16.095,1072 0.238,1073 9.991,1074 12.725,1075 4.156,1076 19.737,1077 9.699,1078 3.246,1079 -0.316,1080 17.916,1081 -0.509,1082 10.964,1083 14.036,1084 4.464,1085 22.065,1086 10.636,1087 2.75,1088 11.528,1089 19.755,1090 -0.816,1091 12.15,1092 15.617,1093 5.111,1094 24.526,1095 11.787,1096 2.649,1097 8.204,1098 21.609,1099 4.649,1100 13.22,1101 17.041,1102 5.504,1103 26.925,1104 12.817,1105 2.444,1106 7.777,1107 23.475,1108 3.702,1109 14.381,1110 18.587,1111 6.091,1112 29.372,1113 13.942,1114 2.16,1115 7.118,1116 25.353,1117 3.655,1118 15.498,1119 20.067,1120 6.531,1121 31.798,1122 15.02,1123 2,1124 5.934,1125 27.239,1126 3.199,1127 16.654,1128 21.6,1129 7.083,1130 34.242,1131 16.139,1132 1.969,1133 5.774,1134 29.133,1135 2.883,1136 17.796,1137 23.108,1138 7.551,1139 36.679,1140 17.241,1141 10337,1142 17682,1143 20.69,1144 32.705,1145 47.035,1146 47.586,1147 48.139,1148 46.39,1149 46.446,1150 64.084,1151 3.806,1152 134.501,1153 44.312,1154 5.55,1155 5.563,1156 6.449,1157 5.317,1158 5.246,1159 7.649,1160 2.912,1161 18.713,1162 5.125,1163 14.026,1164 1.517,1165 1.535,1166 1.553,1167 1.496,1168 1.498,1169 2.067,1170 0.123,1171 4.339,1172 1.429,1173 4.097,1174 4.116,1175 4.327,1176 4.081,1177 7.431,1178 4.045,1179 3.932,1180 3.967,1181 3.884,1182 3.859,1183 5.305,1184 3.855,1185 3.833,1186 3.869,1187 3.802,1188 3.76,1189 4.982,1190 3.75,1191 3.451,1192 3.503,1193 3.489,1194 3.206,1195 4.789,1196 3.239,1197 3.317,1198 3.374,1199 3.38,1200 3.134,1201 4.744,1202 3.139,1203 3.145,1204 3.225,1205 3.047,1206 2.986,1207 4.556,1208 2.969,1209 3.071,1210 3.189,1211 2.955,1212 2.83,1213 4.078,1214 2.815,1215 2.885,1216 2.956,1217 2.793,1218 2.735,1219 3.988,1220 2.727,1221 0.151,1222 0.115,1223 0.222,1224 0.136,1225 0.105,1226 4.683,1227 0.15,1228 3.563,1229 0.053,1230 6.892,1231 0.372,1232 4.206,1233 0.101,1234 3.246,1235 4.649,1236 1.656,1237 11.528,1238 3.125,1239 1.948,1240 1.925,1241 2.042,1242 2.045,1243 1.157,1244 2.042,1245 1.911,1246 1.882,1247 2.022,1248 2.004,1249 1.13,1250 2.009,1251 1.752,1252 1.72,1253 1.785,1254 1.916,1255 0.871,1256 1.895,1257 1.392,1258 1.376,1259 1.56,1260 1.617,1261 0.617,1262 1.588,1263 1.266,1264 1.217,1265 1.423,1266 1.442,1267 0.582,1268 1.467,1269 1.139,1270 1.075,1271 1.319,1272 1.379,1273 0.301,1274 1.393,1275 0.977,1276 0.909,1277 1.213,1278 1.261,1279 0.218,1280 1.293,1281 0.886,1282 0.821,1283 1.181,1284 1.154,1285 0.141,1286 1.175,1287 4.143,1289 5.476,1290 2.398,1291 6.993,1292 4.727,1293 8.598,1294 6.862,1295 10.252,1297 1.974,1301 11.69,1305 5.642,1314 31.191,1315 77.077,1316 171.29,1317 204.574,1318 230.574,1319 235.329,1320 237.329,1321 40.643,1322 7.691,1323 118.95,1324 147.19,1325 23,1326 12.589,1327 4.585,1328 3.7,1329 42.795,1330 128,1331 106,1332 0.167,1333 196.735,1334 325.78,1335 471.794,1336 24803,1338 19.673,1339 0.703,1340 0.567,1341 20.027,1342 15.878,1343 13.491,1344 0.435,1345 0.304,1346 8.528,1347 12.64,1348 8.222,1349 6.862,1350 13.945,1351 9.427,1352 12.628,1353 0.287,1354 0.163,1355 13.179,1356 7.181,1357 10.059,1358 0.176,1359 0.089,1360 10.714,1361 5.081,1362 9.118,1363 0.117,1364 0.05,1365 10.036,1366 3.91,1367 6.811,1368 0.073,1369 0.026,1370 7.591,1371 2.462,1372 0.27,1373 88.276,1374 0.22,1375 27.174,1376 0.44,1377 150,1378 423.176,1379 185.71,1380 444.478,1381 614.51,1382 414,1383 176,1384 449.867,1385 207.03,1386 475.24,1387 692.7,1388 446,1389 5.1}
{0 CHEMBL1973211,1 1.525,2 15.314,3 5.156,4 26.586,5 145.456,6 7.769,7 0.564,8 4.221,9 4.343,10 3.864,11 3.844,12 5.319,13 3.796,14 4.735,15 4.904,16 4.218,17 4.245,18 5.798,19 4.167,20 4.958,21 5.161,22 4.235,23 4.357,24 5.961,25 4.244,26 4.992,27 5.224,28 4.257,29 4.318,30 6.019,31 4.197,32 4.887,33 5.098,34 4.11,35 4.211,36 5.987,37 4.096,38 4.778,39 4.985,40 4.052,41 4.124,42 5.873,43 4.029,44 4.741,45 4.928,46 4.03,47 4.142,48 5.786,49 4.039,50 4.815,51 5.033,52 4.024,53 4.184,54 5.773,55 4.04,56 0.056,57 0.917,58 12.489,59 5.481,60 10.799,61 7.023,62 0.281,63 1.503,64 24.029,65 9.747,66 27.371,67 12.66,68 0.221,69 1.801,70 31.115,71 12.358,72 33.889,73 16.171,74 0.206,75 1.83,76 36.313,77 13.668,78 41.404,79 18.144,80 0.269,81 1.653,82 33.628,83 12.106,84 52.577,85 14.919,86 0.277,87 1.519,88 30.036,89 10.428,90 44.541,91 13.062,92 0.211,93 1.456,94 24.635,95 9.509,96 36.535,97 12.382,98 0.25,99 1.576,100 32.234,101 12.194,102 32.272,103 15.311,104 10,105 54,106 0.241,107 0.627,108 0.775,109 0.831,110 0.843,111 0.848,112 3.588,113 0.967,114 -5.25,115 -5.14,116 -4.81,119 45.2,120 1,121 2,125 3,141 2,142 8,143 5,144 2,145 1,147 1,151 1,152 1,159 1,163 1,164 1,165 1,172 14,175 5,177 1,178 3,179 1,180 5,183 18,185 1,188 3,193 5,196 13,198 1,200 8,205 10,208 11,210 3,213 6,218 8,221 8,223 3,224 1,225 7,230 7,233 11,235 3,238 2,243 2,246 12,250 4,252 1,253 2,254 1,255 2,257 1,258 16,264 3,269 2,272 10,276 2515,277 23.947,278 23.947,279 23.947,280 23.947,281 23.947,282 20.862,283 27.434,284 14.238,285 24.402,286 19.292,287 19.292,288 19.292,289 19.292,290 19.292,291 14.672,292 33.376,293 6.8,294 20.025,295 4.429,296 1.989,297 1.057,298 0.702,299 0.625,300 0.593,301 4.295,306 1,307 1177,308 3.606,311 186.396,312 347.744,315 157.728,319 2.684,320 23.825,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 73.5,332 536,333 4.732,334 3.563,335 6.972,336 4.252,337 3.286,338 4.712,339 1.656,340 11.822,341 3.176,342 4.158,343 3.366,344 6.078,345 3.736,346 2.761,347 3.74,348 1.053,349 8.757,350 2.689,351 4.074,352 3.018,353 5.63,354 3.66,355 2.677,356 3.66,357 0.249,358 7.806,359 2.63,360 3.945,361 2.828,362 5.535,363 3.484,364 2.545,365 3.332,366 0.247,367 7.246,368 2.424,369 3.717,370 2.739,371 5.374,372 3.437,373 2.466,374 2.983,376 6.999,377 2.351,378 3.541,379 2.558,380 5.35,381 3.202,382 2.227,383 2.778,385 6.754,386 2.171,387 3.465,388 2.295,389 4.903,390 3.055,391 2.089,392 2.656,394 5.71,395 2.014,396 3.368,397 2.136,398 4.717,399 2.777,400 1.829,401 2.502,403 4.97,404 1.741,405 3.177,406 2.064,407 4.505,408 2.663,409 1.689,410 2.324,412 4.594,413 1.606,414 3.064,415 1.842,416 4.192,417 2.414,418 1.428,419 2.002,421 3.333,422 1.406,423 2.658,424 1.24,425 3.71,426 2.18,427 1.184,428 1.73,430 2.931,431 1.179,432 2.562,433 1.208,434 3.557,435 2.064,436 1.1,437 1.584,439 2.586,440 1.05,441 2.5,442 1.111,443 3.479,444 2,445 1,446 1.5,448 2.37,449 1,450 2.292,451 1,452 3.414,453 1.939,454 1,455 1.24,457 2.275,458 0.931,459 2.206,460 0.955,461 3.194,462 1.634,463 0.778,464 1.054,466 1.862,467 0.649,468 17.167,469 0.49,470 0.78,471 0.022,472 47.25,473 1.35,474 25,475 0.714,476 22.25,477 0.636,478 29.808,479 0.852,480 35.633,481 0.575,482 36.06,483 1.03,484 9.061,485 0.259,486 8.003,487 0.229,488 0.072,490 0.315,496 0.9,497 1.105,498 0.771,499 0.857,500 0.723,501 0.84,502 0.676,503 0.941,504 0.879,505 0.891,506 0.478,507 0.889,508 1.068,509 1.038,510 0.948,511 0.955,512 0.921,513 1.016,514 0.756,515 1.076,516 0.831,517 0.988,518 0.767,519 0.901,520 1.467,521 1.078,522 1.21,523 1.091,524 1.581,525 0.994,526 1.373,527 1.053,528 1.172,529 1.063,530 1.421,531 0.941,532 1.31,533 1.137,534 1.019,535 1.028,536 1.437,537 1.094,538 0.729,539 0.99,540 1.265,541 1.191,542 0.7,543 1.062,544 6.5,545 0.178,546 3.333,547 2.25,548 1.789,549 1.084,550 0.671,551 0.411,552 0.36,553 0.32,554 21411,555 50714,556 2.141,557 43.5,558 3,559 14,560 1,561 1,562 4,564 4,567 1.763,568 2.039,569 3.867,570 1.463,577 94.563,578 1.525,579 3.965,580 4.898,581 5.252,582 5.329,583 5.361,584 3.386,585 4.786,586 5.093,587 4.093,588 2435.55,589 8.923,590 40111.1,595 369.16,596 1.271,597 5.076,598 0.167,599 0.006,600 0.062,601 0.043,602 0.035,603 0.024,604 0.015,605 0.01,606 0.009,607 0.009,608 0.379,610 0.75,611 0.45,612 193.334,613 -0.08,614 0.001,615 0.053,616 0.071,617 -0.071,618 0.06,619 0.21,620 0.131,621 0.042,622 0.073,623 0.164,624 0.044,625 -0.124,626 -0.024,627 -0.031,628 -0.002,629 -0.053,630 -0.059,631 0.117,632 -0.108,633 0.209,634 0.041,635 0.147,636 0.108,637 -0.154,638 -0.061,639 -0.082,640 -0.038,641 -0.09,642 -0.024,643 -0.095,644 -0.008,645 -0.069,646 -0.031,647 -0.059,648 0.014,649 -0.193,650 -0.112,651 -0.122,652 -0.092,653 -0.254,654 -0.159,655 0.083,656 0.029,657 -0.087,658 -0.079,659 0.016,660 -0.053,661 1.949,662 5.373,663 0.743,664 50.743,665 0.994,666 1.116,667 4.021,668 16.17,669 0.702,670 3.689,671 4.007,672 4.277,673 4.564,674 4.727,675 4.82,676 4.949,677 5.136,678 5.226,679 5.342,680 8.93,681 0.658,682 481.67,683 3.689,684 5.231,685 6.08,686 6.957,687 7.822,688 8.706,689 9.58,690 10.47,691 11.351,692 12.245,693 8.1,696 1,697 1,700 2,703 1,708 2,709 10,710 1,713 1,714 7,716 22,727 1,735 62,737 24,738 2,739 39,741 66,742 28,743 19,744 4,745 8,748 5,749 6,753 1,754 1,757 2,760 2,761 2,762 20,763 6,767 1,772 1,776 1,783 27,784 6,785 4,786 7,787 1,792 5,797 0.8,798 1,809 1,812 1,815 2,816 3,819 1,823 2,839 1,843 4,845 1,847 1,851 35,852 1,858 5,860 2,864 1,866 1,869 1,872 2,874 1.6,877 1,881 17.167,882 11.4,883 7.639,884 3.729,886 5.021,887 1.596,888 1.032,889 7.103,890 13.447,891 3.989,892 4.598,893 5.205,894 5.855,895 6.396,896 6.778,897 7.24,898 7.733,899 8.075,900 8.472,901 1,902 52,903 12.92,905 5.486,906 7.614,907 25.037,909 20.753,911 2.114,912 74,916 270.735,917 206.235,918 88.829,920 25.145,922 31.278,923 174.957,924 295.88,925 88.829,926 8.825,927 47.408,928 116.356,929 53.702,930 33,931 53.182,932 278.471,934 270.735,935 263.786,936 25.145,937 31.278,939 223.651,940 72.229,943 68.405,944 144.535,945 50.847,946 31.278,947 270.735,948 113.973,949 206.235,952 270.735,953 70.842,954 104.456,955 70.083,956 74.828,957 270.735,958 113.973,959 206.235,961 0.579,962 0.334,963 0.186,964 0.093,965 26,966 11,967 0.061,968 4,969 1,970 1.077,971 4.761,972 325.434,973 0.077,974 26,975 169.525,977 1,981 23.505,982 10.577,983 5.544,984 1.988,985 113.973,986 19.295,987 4.422,990 1.634,991 5.996,993 68.919,994 590.944,995 53,1000 12.373,1004 -0.282,1007 61.632,1008 69.188,1009 0.256,1010 0.666,1011 0.823,1012 0.882,1013 0.895,1014 0.9,1015 5.228,1016 1.829,1017 6.052,1018 5.71,1019 4.691,1020 5.286,1021 2.072,1022 6.847,1023 4.62,1024 6.445,1025 1.689,1026 7.594,1027 4.97,1028 4.205,1029 5.037,1030 1.305,1031 7.714,1032 4.112,1033 7.755,1034 1.428,1035 9.236,1036 4.594,1037 6.263,1038 7.512,1039 2.573,1040 10.838,1041 6.128,1042 9.102,1043 1.184,1044 10.941,1045 3.333,1046 6.621,1047 8.142,1048 2.389,1049 12.615,1050 6.457,1051 10.48,1052 1.1,1053 12.688,1054 2.931,1055 8.118,1056 10.065,1057 3.315,1058 15.27,1059 7.921,1060 11.882,1061 1,1062 14.468,1063 2.586,1064 8.881,1065 11.146,1066 3.438,1067 17.449,1068 8.651,1069 13.304,1070 1,1071 16.274,1072 2.37,1073 10.156,1074 12.837,1075 4.186,1076 19.965,1077 9.897,1078 3.286,1079 0.778,1080 18.1,1081 2.275,1082 11.124,1083 14.155,1084 4.478,1085 22.317,1086 10.829,1087 2.761,1088 11.822,1089 19.944,1090 1.862,1091 12.315,1092 15.749,1093 5.124,1094 24.794,1095 11.991,1096 2.677,1097 8.757,1098 21.803,1099 4.712,1100 13.385,1101 17.186,1102 5.51,1103 27.216,1104 13.025,1105 2.545,1106 7.806,1107 23.675,1108 3.74,1109 14.552,1110 18.743,1111 6.096,1112 29.684,1113 14.16,1114 2.466,1115 7.246,1116 25.558,1117 3.66,1118 15.674,1119 20.237,1120 6.533,1121 32.134,1122 15.246,1123 2.227,1124 6.999,1125 27.451,1126 3.332,1127 16.838,1128 21.784,1129 7.085,1130 34.601,1131 16.377,1132 2.089,1133 6.754,1134 29.351,1135 2.983,1136 17.988,1137 23.305,1138 7.552,1139 37.062,1140 17.492,1141 19852,1142 30778,1143 26.641,1144 43.506,1145 58.761,1146 59.7,1147 58.988,1148 57.75,1149 57.859,1150 77.413,1151 6.411,1152 163.998,1153 55.707,1154 5.606,1155 5.563,1156 6.629,1157 5.36,1158 5.286,1159 7.712,1160 2.912,1161 19.202,1162 5.176,1163 14.113,1164 1.507,1165 1.531,1166 1.513,1167 1.481,1168 1.484,1169 1.985,1170 0.164,1171 4.205,1172 1.428,1173 4.119,1174 4.131,1175 4.34,1176 4.127,1177 7.431,1178 4.087,1179 3.935,1180 3.968,1181 3.885,1182 3.861,1183 5.194,1184 3.858,1185 3.862,1186 3.921,1187 3.806,1188 3.788,1189 4.819,1190 3.782,1191 3.83,1192 3.87,1193 3.73,1194 3.686,1195 4.763,1196 3.682,1197 3.473,1198 3.513,1199 3.499,1200 3.395,1201 4.732,1202 3.38,1203 3.392,1204 3.437,1205 3.382,1206 3.166,1207 4.476,1208 3.203,1209 3.253,1210 3.314,1211 3.291,1212 3.111,1213 4.269,1214 3.093,1215 3.144,1216 3.222,1217 2.983,1218 2.985,1219 4.196,1220 2.968,1221 0.121,1222 0.091,1223 0.179,1224 0.109,1225 0.084,1226 4.732,1227 0.121,1228 3.563,1229 0.042,1230 6.972,1231 0.303,1232 4.252,1233 0.081,1234 3.286,1235 4.712,1236 1.656,1237 11.822,1238 3.176,1239 1.964,1240 1.945,1241 2.044,1242 2.047,1243 1.211,1244 2.046,1245 1.913,1246 1.884,1247 2.027,1248 2.006,1249 1.176,1250 2.013,1251 1.841,1252 1.823,1253 1.89,1254 1.929,1255 1.131,1256 1.931,1257 1.577,1258 1.517,1259 1.86,1260 1.791,1261 1.068,1262 1.793,1263 1.576,1264 1.507,1265 1.763,1266 1.751,1267 0.996,1268 1.79,1269 1.414,1270 1.391,1271 1.561,1272 1.616,1273 0.653,1274 1.59,1275 1.277,1276 1.222,1277 1.478,1278 1.448,1279 0.612,1280 1.48,1281 1.172,1282 1.121,1283 1.387,1284 1.386,1285 0.563,1286 1.41,1287 4.369,1289 5.687,1290 3.045,1291 7.186,1292 5.283,1293 8.775,1294 7.31,1295 10.416,1297 1.988,1301 6.289,1303 5.567,1305 5.736,1309 2.38,1313 6.613,1314 40.804,1315 94.563,1316 245.835,1317 303.65,1318 325.65,1319 330.405,1320 332.405,1321 52.55,1322 8.427,1323 83.28,1324 111.52,1325 28,1326 12.775,1327 4.644,1328 3.907,1329 52.515,1330 185,1331 177,1332 0.135,1333 253.432,1334 435.54,1335 610.133,1336 65768,1338 24.2,1339 0.691,1340 0.583,1341 24.554,1342 20.414,1343 17.064,1344 0.438,1345 0.322,1346 11.659,1347 16.204,1348 11.267,1349 9.374,1350 17.518,1351 12.566,1352 15.374,1353 0.285,1354 0.178,1355 15.898,1356 9.601,1357 12.753,1358 0.18,1359 0.1,1360 13.472,1361 7.092,1362 11.101,1363 0.117,1364 0.056,1365 12.043,1366 5.359,1367 8.306,1368 0.074,1369 0.029,1370 9.133,1371 3.239,1372 0.219,1373 109.672,1374 0.194,1375 33.004,1376 0.35,1377 186,1378 473.864,1379 219.655,1380 496.72,1381 690.27,1382 466,1383 218,1384 500.966,1385 250.367,1386 531.153,1387 774.35,1388 499,1389 6.4}
{0 CHEMBL1973348,1 1.554,2 14.833,3 4.901,4 24.023,5 143.655,6 8.148,7 0.7,8 4.212,9 4.324,10 3.853,11 3.832,12 5.379,13 3.808,14 4.697,15 4.832,16 4.222,17 4.232,18 5.814,19 4.187,20 4.975,21 5.15,22 4.292,23 4.362,24 6.099,25 4.286,26 5.05,27 5.259,28 4.227,29 4.325,30 6.158,31 4.237,32 5,33 5.207,34 4.219,35 4.274,36 6.14,37 4.195,38 4.988,39 5.198,40 4.165,41 4.255,42 6.088,43 4.169,44 4.987,45 5.218,46 4.138,47 4.215,48 6.072,49 4.114,50 4.859,51 5.08,52 4.021,53 4.132,54 5.934,55 4.023,56 0.053,57 0.841,58 10.678,59 5.133,60 15.086,61 6.367,62 0.102,63 1.317,64 19.248,65 8.937,66 21.58,67 11.156,68 0.31,69 1.679,70 30.562,71 12.24,72 46.681,73 15.588,74 0.378,75 1.78,76 35.075,77 13.378,78 68.185,79 17.115,80 0.39,81 1.721,82 33.642,83 12.53,84 70.328,85 16.042,86 0.369,87 1.738,88 31.348,89 11.921,90 58.651,91 15.336,92 0.44,93 1.677,94 35.403,95 12.559,96 70.865,97 16.489,98 0.392,99 1.459,100 31.886,101 11.436,102 56.208,103 15.111,104 17,105 56,106 0.246,107 0.588,108 0.783,109 0.9,110 0.917,111 0.917,112 3.615,113 0.896,114 -4.66,115 -4.57,116 -4.3,119 47.5,121 1,125 1,127 1,142 12,143 6,144 3,145 2,151 1,152 1,157 1,163 2,164 2,165 2,172 16,175 4,180 6,183 20,185 3,187 1,188 7,190 1,191 1,193 6,196 18,198 3,200 7,202 1,203 1,205 4,208 11,210 3,213 9,217 1,218 5,220 1,221 11,223 5,225 5,227 1,228 2,230 5,233 11,235 5,237 1,238 4,240 1,241 1,243 4,246 11,248 4,249 1,250 5,252 1,253 1,255 3,258 10,260 2,264 4,267 1,269 3,272 10,274 2,276 2550,277 24.447,278 24.447,279 24.447,280 24.447,281 24.447,282 21.048,283 14.646,284 14.394,285 24.827,286 19.748,287 19.748,288 19.748,289 19.748,290 19.748,291 14.649,292 12.518,293 6.852,294 20.407,295 4.377,296 2.211,297 0.98,298 0.242,299 0.131,300 0.131,301 4.321,302 1,306 1,307 1175,308 3.742,311 90.486,312 481.714,315 168.468,319 2.352,320 34.465,323 1,324 0.83,325 1,326 0.6,328 1,329 1,330 0.78,331 76.333,332 534,333 4.527,334 3.613,335 6.609,336 4.122,337 3.115,338 4.474,339 0.86,340 10.428,341 3.137,342 4.476,343 3.162,344 6.533,345 4.058,346 3.072,347 4.144,349 10.301,350 3.03,351 4.211,352 3.007,353 6.153,354 3.832,355 2.843,356 3.817,358 9.105,359 2.816,360 3.968,361 2.916,362 5.685,363 3.521,364 2.566,365 3.563,367 7.586,368 2.451,369 3.662,370 2.755,371 5.351,372 3.369,373 2.413,374 3.025,376 6.896,377 2.307,378 3.512,379 2.509,380 5.245,381 3.198,382 2.239,383 2.807,385 6.534,386 2.131,387 3.44,388 2.374,389 4.972,390 3.008,391 2.071,392 2.743,394 5.712,395 1.885,396 3.136,397 1.976,398 4.798,399 2.818,400 1.838,401 2.319,403 5.204,404 1.798,405 3.045,406 1.906,407 4.37,408 2.518,409 1.546,410 2.238,412 4,413 1.501,414 2.921,415 1.576,416 4.299,417 2.457,418 1.484,419 2.08,421 3.943,422 1.402,423 2.878,424 1.546,425 4.145,426 2.411,427 1.459,428 2.022,430 3.705,431 1.385,432 2.658,433 1.319,434 3.594,435 2.167,436 1.18,437 1.731,439 2.748,440 1.143,441 2.618,442 1.216,443 3.582,444 2.144,445 1.155,446 1.671,448 2.633,449 1.141,450 2.589,451 1.192,452 3.489,453 2.05,454 1.105,455 1.631,457 2.55,458 1.04,459 2.344,460 1.125,461 3.434,462 1.77,463 0.721,464 1.12,466 1.817,467 0.75,468 17.481,469 0.486,470 0.87,471 0.024,472 51,473 1.417,474 28.5,475 0.792,476 22.5,477 0.625,478 28.699,479 0.797,480 36.519,481 0.599,482 41.534,483 1.154,484 10.2,485 0.283,486 7.275,487 0.202,488 0.106,490 0.343,496 0.833,497 0.971,498 0.661,499 0.806,500 0.82,501 0.78,502 0.912,503 1.068,504 0.755,505 0.945,506 0.701,507 0.919,508 0.993,509 1.073,510 0.988,511 1.076,512 0.899,513 1.058,514 1.181,515 1.022,516 0.903,517 0.984,518 1.183,519 0.989,520 1.082,521 1.058,522 0.878,523 1.02,524 1.2,525 0.993,526 1.142,527 1.078,528 0.895,529 1.01,530 1.038,531 1.044,532 1.044,533 0.939,534 0.918,535 0.931,536 0.965,537 0.943,538 0.868,539 1.022,540 1.066,541 1.039,542 0.692,543 1.021,544 7,545 0.219,546 4.222,547 2.479,548 1.835,549 1.229,550 0.727,551 0.545,552 0.35,553 0.217,554 22437,555 61089,556 2.12,557 41,559 15,560 1,561 2,562 5,564 2,567 1.771,568 2,569 3.842,570 2.19,577 94.797,578 1.554,579 3.72,580 4.951,581 5.689,582 5.8,583 5.8,584 3.274,585 4.837,586 5.143,587 4.04,588 2545.26,589 9.019,590 42345.5,595 361.775,596 1.352,597 5.109,598 0.175,599 0.006,600 0.075,601 0.043,602 0.035,603 0.024,604 0.015,605 0.012,606 0.009,607 0.006,608 0.401,610 0.75,611 0.496,612 199.635,613 -0.098,614 0.125,615 0.007,616 0.097,617 -0.148,618 0.084,619 -0.078,620 -0.036,621 -0.009,622 -0.008,623 -0.031,624 -0.012,625 0.002,626 -0.077,627 -0.091,628 -0.111,629 0.006,630 -0.111,631 -0.063,632 -0.051,633 -0.009,634 -0.011,636 -0.014,637 0.014,638 -0.069,639 0.018,640 -0.055,641 0.04,642 -0.026,643 -0.06,644 -0.053,645 -0.055,646 -0.07,647 -0.059,648 -0.097,649 0.027,650 0.043,651 0.066,652 0.051,653 0.031,654 0.051,655 0.115,656 -0.062,657 -0.014,658 -0.036,659 0.101,660 -0.015,661 1.861,662 6.064,663 0.75,664 43.704,665 1.002,666 1.113,667 3.425,668 11.734,669 0.708,670 3.714,671 4.043,672 4.317,673 4.575,674 4.787,675 4.804,676 4.92,677 4.997,678 5.037,679 5.112,680 8.734,681 0.674,682 497.03,683 3.714,684 5.263,685 6.116,686 6.993,687 7.861,688 8.74,689 9.613,690 10.494,691 11.37,692 12.251,693 6.6,694 1,697 1,701 1,703 1,708 2,709 15,710 1,711 1,714 8,716 28,721 1,727 1,733 1,734 1,735 61,737 29,738 3,739 40,741 65,742 29,743 25,744 7,745 11,746 1,748 5,749 6,750 1,760 2,762 26,763 3,767 1,772 1,776 1,783 25,784 5,785 5,786 7,787 1,792 4,797 0.8,798 2,809 1,811 1,815 1,816 4,819 1,836 1,843 4,848 1,851 36,852 2,858 2,861 1,863 1,873 1,874 3.3,877 1,879 1,881 18,882 10.676,883 7.833,884 3.426,886 5.231,887 1.623,888 1.029,889 7.053,890 13.624,891 4.025,892 4.661,893 5.283,894 5.877,895 6.402,896 6.617,897 7.01,898 7.343,899 7.531,900 7.85,901 0.9,902 57,903 13.291,905 5.74,906 7.744,907 25.242,909 20.962,911 2.244,912 80.778,916 235.422,917 185.263,918 99.365,919 39.149,920 36.145,923 185.263,924 310.715,925 99.365,927 40.024,928 155.66,929 70.606,930 75.882,931 13.915,932 200.109,933 39.149,934 235.422,935 284.629,936 36.145,937 39.149,939 211.88,940 59.687,943 74.904,944 192.939,945 55.934,947 235.422,948 135.51,949 224.412,952 235.422,953 44.406,954 140.857,955 16.786,956 157.873,957 235.422,958 135.51,959 224.412,961 0.584,962 0.342,963 0.186,964 0.103,965 27,966 12,967 0.123,968 8,969 1,970 1.074,971 4.739,972 341.726,973 0.074,974 27,975 184.117,981 24.076,982 10.546,983 5.468,984 2.261,985 118.725,986 27.548,987 4.318,988 3.277,991 5.134,993 82.58,994 595.344,995 55,1000 13.064,1004 -0.194,1007 61.105,1008 67.923,1009 0.262,1010 0.627,1011 0.835,1012 0.959,1013 0.978,1014 0.978,1015 5.252,1016 1.838,1017 6.098,1018 5.712,1019 4.727,1020 5.349,1021 0.908,1022 6.901,1023 4.672,1024 6.47,1025 1.546,1026 7.652,1027 5.204,1028 4.29,1029 5.121,1031 7.771,1032 4.214,1033 7.778,1034 1.484,1035 9.305,1036 4,1037 6.315,1038 7.586,1039 0.739,1040 10.874,1041 6.233,1042 9.122,1043 1.459,1044 11.016,1045 3.943,1046 6.698,1047 8.202,1049 12.582,1050 6.616,1051 10.499,1052 1.18,1053 12.765,1054 3.705,1055 8.183,1056 10.118,1057 0.593,1058 15.192,1059 8.094,1060 11.899,1061 1.155,1062 14.542,1063 2.748,1064 8.949,1065 11.15,1067 17.25,1068 8.87,1069 13.317,1070 1.105,1071 16.338,1072 2.633,1073 10.212,1074 12.822,1075 0.469,1076 19.684,1077 10.128,1078 3.115,1079 0.721,1080 18.149,1081 2.55,1082 11.162,1083 14.068,1085 21.893,1086 11.088,1087 3.072,1088 10.428,1089 19.972,1090 1.817,1091 12.333,1092 15.627,1093 0.366,1094 24.262,1095 12.257,1096 2.843,1097 10.301,1098 21.805,1099 4.474,1100 13.371,1101 16.983,1103 26.538,1104 13.303,1105 2.566,1106 9.105,1107 23.645,1108 4.144,1109 14.505,1110 18.491,1111 0.283,1112 28.882,1113 14.438,1114 2.413,1115 7.586,1116 25.49,1117 3.817,1118 15.585,1119 19.905,1121 31.188,1122 15.524,1123 2.239,1124 6.896,1125 27.342,1126 3.563,1127 16.707,1128 21.392,1129 0.217,1130 33.524,1131 16.648,1132 2.071,1133 6.534,1134 29.197,1135 3.025,1136 17.806,1137 22.835,1139 35.844,1140 17.752,1141 20763,1142 34448,1143 27.046,1144 43.165,1145 60.767,1146 61.706,1147 61.78,1148 60.14,1149 59.984,1150 81.789,1151 1.72,1152 171.841,1153 58.013,1154 5.429,1155 5.613,1156 6.291,1157 5.188,1158 5.115,1159 7.474,1160 1.72,1161 17.54,1162 5.137,1163 16.336,1164 1.519,1165 1.543,1166 1.544,1167 1.503,1168 1.5,1169 2.045,1170 0.043,1171 4.296,1172 1.45,1173 4.132,1174 4.167,1175 4.09,1176 4.051,1177 7.427,1178 4.055,1179 4.031,1180 4.051,1181 4.033,1182 3.971,1183 5.107,1184 3.973,1185 3.888,1186 3.909,1187 3.926,1188 3.827,1189 5.041,1190 3.823,1191 3.751,1192 3.784,1193 3.721,1194 3.637,1195 4.946,1196 3.647,1197 3.611,1198 3.674,1199 3.495,1200 3.476,1201 4.926,1202 3.47,1203 3.371,1204 3.435,1205 3.374,1206 3.208,1207 4.913,1208 3.213,1209 3.209,1210 3.215,1211 3.256,1212 3.074,1213 4.459,1214 3.087,1215 3.074,1216 3.151,1217 3.06,1218 2.891,1219 4.331,1220 2.899,1221 0.113,1222 0.09,1223 0.165,1224 0.103,1225 0.078,1226 4.527,1227 0.112,1228 3.613,1229 0.022,1230 6.609,1231 0.261,1232 4.122,1233 0.078,1234 3.115,1235 4.474,1236 0.86,1237 10.428,1238 3.137,1239 1.995,1240 1.978,1241 2.066,1242 2.074,1243 1.259,1244 2.073,1245 1.942,1246 1.918,1247 2.041,1248 2.02,1249 1.187,1250 2.028,1251 1.873,1252 1.853,1253 1.961,1254 1.962,1255 1.073,1256 1.965,1257 1.723,1258 1.689,1259 1.886,1260 1.889,1261 1.053,1262 1.894,1263 1.66,1264 1.612,1265 1.789,1266 1.812,1267 0.848,1268 1.81,1269 1.372,1270 1.307,1271 1.573,1272 1.617,1273 0.687,1274 1.611,1275 1.14,1276 1.126,1277 1.292,1278 1.314,1279 0.389,1280 1.308,1281 1.048,1282 0.992,1283 1.267,1284 1.297,1285 0.323,1286 1.281,1287 4.394,1289 5.72,1290 2.398,1291 7.236,1292 4.727,1293 8.837,1294 6.823,1295 10.48,1298 6.062,1301 12.503,1303 1.023,1306 5.971,1308 -0.189,1314 41.137,1315 94.797,1316 226.933,1317 302.001,1318 347.02,1319 353.775,1320 353.775,1321 67.462,1322 8.393,1323 107.02,1324 107.02,1325 29,1326 12.787,1327 4.907,1328 4,1329 54.72,1330 190,1331 178,1332 0.136,1333 254.5,1334 433.79,1335 612.741,1336 66602,1337 1.6,1338 25.07,1339 0.696,1340 0.561,1341 25.57,1342 20.204,1343 17.474,1344 0.437,1345 0.299,1346 11.49,1347 16.764,1348 11.204,1349 9.272,1350 17.763,1351 11.941,1352 15.862,1353 0.283,1354 0.163,1355 16.27,1356 9.122,1357 13.439,1358 0.182,1359 0.085,1360 13.701,1361 6.287,1362 11.188,1363 0.117,1364 0.046,1365 11.441,1366 4.409,1367 9.119,1368 0.077,1369 0.025,1370 9.344,1371 2.976,1372 0.221,1373 111.039,1374 0.192,1375 33.51,1376 0.356,1377 192,1378 518.277,1379 218.328,1380 544.04,1381 740.1,1382 508,1383 226,1384 524.517,1385 247.345,1386 548.881,1387 799.41,1388 517,1389 5.2}
{0 CHEMBL1973395,1 1.508,2 8.364,3 2.057,4 4.23,5 87.396,6 7.36,7 0.64,8 3.811,9 3.935,10 3.381,11 3.353,12 4.875,13 3.337,14 4.352,15 4.527,16 3.74,17 3.774,18 5.359,19 3.73,20 4.625,21 4.848,22 3.769,23 3.892,24 5.551,25 3.814,26 4.629,27 4.869,28 3.727,29 3.856,30 5.57,31 3.768,32 4.559,33 4.797,34 3.68,35 3.828,36 5.458,37 3.742,38 4.543,39 4.775,40 3.601,41 3.771,42 5.516,43 3.679,44 4.471,45 4.731,46 3.315,47 3.616,48 5.376,49 3.486,50 4.293,51 4.567,52 2.968,53 3.369,54 5.228,55 3.191,56 0.033,57 0.625,58 8.405,59 3.44,60 9.321,61 4.641,62 0.18,63 1.03,64 15.705,65 5.917,66 17.069,67 8.135,68 0.187,69 1.226,70 22.407,71 7.965,72 26.627,73 11.317,74 0.349,75 1.232,76 23.07,77 7.793,78 33.196,79 11.234,80 0.163,81 1.183,82 20.901,83 7.133,84 21.743,85 10.586,86 0.245,87 1.164,88 20.555,89 6.481,90 29.134,91 9.673,92 0.201,93 1.002,94 19.953,95 6.497,96 26.501,97 9.584,98 0.239,99 0.751,100 17.303,101 6.286,102 32.179,103 9.055,104 2,105 35,106 0.266,107 0.639,108 0.769,109 0.803,110 0.815,111 0.815,112 3.148,113 0.916,114 -4.29,115 -4.23,116 -3.99,119 42.5,121 2,125 2,127 1,142 5,143 3,147 1,148 1,151 1,161 1,172 8,174 2,175 5,178 1,180 4,183 10,188 3,193 1,196 7,199 1,200 5,203 3,205 2,208 5,213 6,218 2,221 3,225 8,228 1,230 4,233 2,238 3,243 1,246 4,253 1,254 1,255 1,258 4,269 2,272 2,276 634,277 15.345,278 15.345,279 15.345,280 15.345,281 15.345,282 13.531,283 11.835,284 9.149,285 15.674,286 12.369,287 12.369,288 12.369,289 12.369,290 12.369,291 9.679,292 17.894,293 4.351,294 12.916,295 3.814,296 1.695,297 0.959,298 0.769,299 0.7,300 0.7,301 3.851,304 1,305 1,306 1,307 408,308 1.871,311 40.473,312 166.8,315 77.201,319 1.157,320 15.746,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 47,332 184,333 4.696,334 3.36,335 6.984,336 4.252,337 3.283,338 4.642,339 0.8,340 11.904,341 3.19,342 3.992,343 2.904,344 6.107,345 3.683,346 2.729,347 3.538,349 8.845,350 2.604,351 3.737,352 2.558,353 5.646,354 3.419,355 2.454,356 3.055,358 7.431,359 2.36,360 3.338,361 2.384,362 5.045,363 3.134,364 2.199,365 2.598,367 6.048,368 2.048,369 3.245,370 1.763,371 4.665,372 2.736,373 1.763,374 2.402,376 4.638,377 1.713,378 2.829,379 1.635,380 4.354,381 2.409,382 1.494,383 1.969,385 4.04,386 1.364,387 2.705,388 1.323,389 3.835,390 2.277,391 1.316,392 1.744,394 3.001,395 1.261,396 2.5,397 1.077,398 3.497,399 2,400 1,401 1.5,403 2.466,404 1,405 2.5,406 1,407 3.414,408 1.984,409 1,410 1.5,412 2.275,413 0.983,414 2.044,415 1,416 3.298,417 1.959,418 1,419 1,421 2.136,422 0.957,423 2,424 0.67,425 3.247,426 1.549,427 0.617,428 0.863,430 1.575,431 0.574,432 1.029,433 0.153,434 2.594,435 0.789,436 -0.136,437 -0.147,439 -0.305,440 -0.124,441 0.828,442 -0.483,443 2.347,444 0.379,445 -0.593,446 -0.8,448 -1.407,449 -0.573,450 0.621,451 -0.594,452 2.183,453 0.249,454 -0.666,455 -0.851,457 -1.673,458 -0.605,459 0.5,460 -0.784,461 2,463 -1,464 -1,466 -2.347,467 -0.946,468 10.433,469 0.474,470 0.432,471 0.02,472 29.5,473 1.341,474 14.5,475 0.659,476 15,477 0.682,478 16.306,479 0.741,480 23.167,481 0.579,482 18.923,483 0.86,484 5.646,485 0.257,486 5.18,487 0.235,488 0.032,490 0.326,496 0.986,497 1.348,498 0.803,499 1.032,500 0.931,501 0.917,502 0.933,503 0.996,504 0.939,505 0.971,506 0.825,507 0.954,508 1.098,509 1.141,510 0.94,511 1.009,512 1.101,513 0.969,514 0.968,515 0.907,516 0.954,517 0.883,518 1.039,519 0.915,520 0.822,521 1.108,522 0.94,523 0.975,524 0.564,525 0.96,526 1.062,527 1.148,528 1.187,529 1.085,530 0.761,531 1.122,532 1.105,533 0.983,534 1.188,535 1.074,536 0.95,537 1.116,538 0.756,539 0.858,540 1.047,541 1.111,542 1.023,543 1.126,544 3,545 0.025,546 2.444,547 1.25,548 1.027,549 0.702,550 0.351,551 0.204,552 0.133,553 0.063,554 4814,555 11547,556 2.205,557 45,559 10,560 1,561 1,562 2,565 4,567 1.651,568 2.129,569 3.051,570 0.304,571 1,572 1,574 1,577 60.332,578 1.508,579 3.627,580 4.363,581 4.553,582 4.622,583 4.622,584 2.441,585 3.845,586 4.43,587 3.129,588 722.728,589 7.642,590 7634.26,591 1,592 1,594 1,595 212.877,596 1.143,597 4.418,598 0.12,599 0.008,600 0.07,601 0.036,602 0.031,603 0.022,604 0.013,605 0.01,606 0.01,607 0.01,608 0.33,609 0.5,610 1,611 0.405,612 98.745,613 -0.089,614 -0.178,615 0.051,616 -0.007,617 -0.086,618 0.03,619 0.019,620 0.133,621 -0.035,622 0.012,623 -0.021,624 -0.017,625 -0.09,626 -0.152,627 0.02,628 -0.021,629 -0.073,630 0.005,631 0.069,632 0.096,633 0.026,634 0.076,635 -0.062,636 0.042,637 -0.071,638 -0.077,639 0.006,640 -0.01,641 -0.019,642 0.009,643 -0.117,644 -0.078,645 -0.231,646 -0.159,647 -0.034,648 -0.196,649 -0.168,650 -0.003,651 -0.205,652 -0.128,653 -0.093,654 -0.155,655 0.206,656 -0.006,657 -0.041,658 -0.108,659 0.145,660 -0.106,661 1.52,662 3.714,663 0.955,664 14.727,665 0.998,666 1.128,667 3.063,668 9.384,669 0.67,670 3.258,671 3.584,672 3.912,673 4.234,674 4.5,675 4.575,676 4.718,677 4.844,678 4.868,679 4.89,680 4.895,681 0.637,682 294.39,683 3.258,684 4.796,685 5.666,686 6.558,687 7.452,688 8.354,689 9.258,690 10.166,691 11.074,692 11.985,693 10,699 1,701 1,703 2,708 2,709 7,710 2,711 1,714 3,716 16,730 1,735 40,737 16,738 1,739 25,741 43,742 17,743 12,744 1,745 5,748 4,749 5,757 3,760 3,762 12,763 5,779 1,780 1,783 18,784 4,785 2,786 5,792 4,797 0.75,798 1,800 1,810 1,811 1,815 1,816 3,819 1,841 1,843 3,851 22,857 1,858 4,863 1,864 1,874 2.5,875 1,881 10.333,882 6.967,883 4.806,884 2.474,886 3.168,887 1.434,888 0.995,889 3.468,890 10.46,891 3.526,892 4.139,893 4.801,894 5.468,895 6.028,896 6.385,897 6.857,898 7.291,899 7.531,900 7.858,901 0.833,902 35,903 8.131,905 3.512,906 7.598,907 15.857,909 13.495,911 2.098,912 46.167,913 0.001,916 188.338,917 87.315,918 53.481,920 42.683,923 87.315,924 231.021,925 53.481,927 9.28,928 99.112,929 47.057,930 37.473,931 14.099,932 164.795,934 188.338,935 140.796,936 42.683,939 141.253,940 47.084,941 42.683,943 36.4,944 70.825,945 33.571,947 188.338,948 96.164,949 87.315,952 188.338,953 22.268,954 68.172,955 16.786,956 76.254,957 188.338,958 96.164,959 87.315,961 0.577,962 0.344,963 0.199,964 0.115,965 19,966 7,967 0.047,968 2,969 1,970 1.095,971 3.445,972 184.585,973 0.095,974 21,975 90.107,981 13.588,982 5.615,983 2.473,984 1.917,985 79.379,986 13.884,987 8.882,988 3.248,991 3.233,993 59.469,994 371.817,995 33,1007 39.92,1008 45.109,1009 0.283,1010 0.682,1011 0.82,1012 0.856,1013 0.868,1014 0.868,1015 4.754,1016 1,1017 5.638,1018 3.001,1019 4.263,1020 4.824,1021 0.673,1022 6.475,1023 4.18,1024 5.945,1025 1,1026 7.203,1027 2.466,1028 3.761,1029 4.543,1030 0.325,1031 7.448,1032 3.635,1033 7.247,1034 1,1035 8.875,1036 2.275,1037 5.861,1038 7.063,1039 0.379,1040 10.615,1041 5.707,1042 8.592,1043 0.617,1044 10.616,1045 2.136,1046 6.256,1047 7.745,1048 0.268,1049 12.502,1050 6.068,1051 9.979,1052 -0.136,1053 12.404,1054 1.575,1055 7.783,1056 9.678,1057 0.239,1058 15.187,1059 7.568,1060 11.397,1061 -0.593,1062 14.224,1063 -0.305,1064 8.598,1065 10.822,1066 0.188,1067 17.43,1068 8.356,1069 12.841,1070 -0.666,1071 16.069,1072 -1.407,1073 9.897,1074 12.513,1075 0.156,1076 19.967,1077 9.629,1078 3.283,1079 -1,1080 17.932,1081 -1.673,1082 10.91,1083 13.874,1084 0.125,1085 22.35,1086 10.617,1087 2.729,1088 11.904,1089 19.809,1090 -2.347,1091 12.124,1092 15.468,1093 0.102,1094 24.842,1095 11.805,1096 2.454,1097 8.845,1098 21.697,1099 4.642,1100 13.228,1101 16.926,1102 0.082,1103 27.28,1104 12.883,1105 2.199,1106 7.431,1107 23.594,1108 3.538,1109 14.413,1110 18.481,1111 0.066,1112 29.759,1113 14.043,1114 1.763,1115 6.048,1116 25.499,1117 3.055,1118 15.559,1119 19.982,1120 0.054,1121 32.219,1122 15.163,1123 1.494,1124 4.638,1125 27.409,1126 2.598,1127 16.737,1128 21.524,1129 0.043,1130 34.695,1131 16.316,1132 1.316,1133 4.04,1134 29.325,1135 2.402,1136 17.903,1137 23.043,1138 0.035,1139 37.164,1140 17.455,1141 4537,1142 7116,1143 17.394,1144 26.807,1145 38.132,1146 37.675,1147 38.587,1148 37.77,1149 37.708,1150 49.621,1151 1.6,1152 108.717,1153 36.102,1154 5.696,1155 5.36,1156 6.786,1157 5.331,1158 5.283,1159 7.642,1160 1.2,1161 19.29,1162 5.19,1163 5.976,1164 1.525,1165 1.507,1166 1.543,1167 1.511,1168 1.508,1169 1.985,1170 0.064,1171 4.349,1172 1.444,1173 4.137,1174 4.178,1175 4.108,1176 4.027,1177 6.449,1178 4.041,1179 3.843,1180 3.89,1181 3.762,1182 3.741,1183 5.118,1184 3.743,1185 3.778,1186 3.829,1187 3.669,1188 3.631,1189 4.74,1190 3.631,1191 3.313,1192 3.387,1193 3.237,1194 3.092,1195 4.449,1196 3.119,1197 3.111,1198 3.206,1199 2.973,1200 2.941,1201 4.209,1202 2.91,1203 3.075,1204 3.144,1205 2.866,1206 2.822,1207 3.833,1208 2.849,1209 2.854,1210 2.925,1211 2.722,1212 2.735,1213 3.674,1214 2.715,1215 2.844,1216 2.911,1217 2.687,1218 2.661,1219 3.538,1220 2.665,1221 0.188,1222 0.134,1223 0.279,1224 0.17,1225 0.131,1226 4.696,1227 0.186,1228 3.36,1229 0.032,1230 6.984,1231 0.476,1232 4.252,1233 0.128,1234 3.283,1235 4.642,1236 0.8,1237 11.904,1238 3.19,1239 1.95,1240 1.925,1241 2.052,1242 2.072,1243 1.372,1244 2.063,1245 1.837,1246 1.788,1247 2.009,1248 1.974,1249 1.143,1250 1.989,1251 1.685,1252 1.636,1253 1.783,1254 1.889,1255 0.881,1256 1.868,1257 1.418,1258 1.36,1259 1.571,1260 1.617,1261 0.825,1262 1.609,1263 1.153,1264 1.064,1265 1.513,1266 1.376,1267 0.593,1268 1.429,1269 0.986,1270 0.916,1271 1.263,1272 1.292,1273 0.49,1274 1.281,1275 0.892,1276 0.821,1277 1.181,1278 1.132,1279 0.218,1280 1.132,1281 0.886,1282 0.812,1283 1.115,1284 1.062,1285 0.12,1286 1.107,1287 3.932,1289 5.252,1290 2.398,1291 6.786,1292 4.727,1293 8.414,1294 6.862,1295 10.094,1302 9.714,1303 3.229,1308 -0.187,1309 2.247,1314 25.488,1315 60.332,1316 145.087,1317 174.513,1318 182.122,1319 184.877,1320 184.877,1321 27.478,1322 7.292,1323 65.04,1324 65.04,1325 23,1326 12.5,1327 4.087,1328 3.17,1329 29.673,1330 62,1331 72,1332 0.234,1333 154.948,1334 254.83,1335 369.834,1336 13645,1338 14.941,1339 0.679,1340 0.556,1341 14.941,1342 12.236,1343 10.826,1344 0.433,1345 0.305,1346 7.536,1347 10.46,1348 7.418,1349 6.099,1350 10.826,1351 7.632,1352 9.591,1353 0.274,1354 0.163,1355 9.591,1356 5.707,1357 8.438,1358 0.172,1359 0.088,1360 8.438,1361 4.299,1362 7.329,1363 0.108,1364 0.046,1365 7.329,1366 3.109,1367 6.247,1368 0.07,1369 0.025,1370 6.247,1371 2.227,1372 0.351,1373 67.474,1374 0.24,1375 21.187,1376 0.695,1377 120,1378 305.418,1379 129.847,1380 300.39,1381 423.09,1382 284,1383 144,1384 320.991,1385 154.487,1386 326.11,1387 482.27,1388 309,1389 7.6}
{0 CHEMBL1973483,1 1.926,2 11.179,3 4.411,4 19.455,5 86.145,6 10.534,7 0.567,8 3.808,9 3.904,10 3.612,11 3.292,12 5.195,13 3.373,14 4.352,15 4.468,16 4.152,17 3.637,18 6.493,19 3.729,20 4.482,21 4.642,22 4.065,23 3.727,24 6.07,25 3.796,26 4.553,27 4.733,28 4.016,29 3.638,30 6.149,31 3.729,32 4.483,33 4.67,34 3.95,35 3.499,36 6.173,37 3.6,38 4.329,39 4.512,40 3.77,41 3.352,42 5.939,43 3.459,44 4.228,45 4.395,46 3.797,47 3.273,48 6.208,49 3.377,50 4.1,51 4.288,52 3.508,53 3.271,54 5.595,55 3.326,56 0.469,57 1.081,58 2.325,59 3.273,60 82.405,61 2.474,62 1.487,63 2.163,64 6.634,65 5.575,66 256.696,67 4.31,68 1.075,69 1.679,70 9.453,71 5.858,72 142.379,73 5.324,74 1.501,75 1.675,76 13.683,77 6.892,78 235.47,79 5.878,80 1.377,81 1.38,82 13.912,83 5.577,84 196.938,85 5,86 1.264,87 1.222,88 13.221,89 5.409,90 210.38,91 4.808,92 1.204,93 1.09,94 10.452,95 4.192,96 194.509,97 3.65,98 1.041,99 1.083,100 10.27,101 4.773,102 175.289,103 4.024,104 54,105 45,106 0.342,107 0.618,108 0.749,109 0.878,110 0.888,111 0.888,112 3.374,113 0.762,114 -4.83,115 -4.74,116 -4.45,119 44.7,132 2,142 7,143 2,144 1,145 1,146 2,147 1,159 1,172 6,175 5,178 3,179 1,180 3,183 6,188 3,193 2,196 3,199 1,200 4,203 2,205 6,208 2,213 2,218 3,221 1,224 1,225 5,228 1,230 3,233 2,238 2,243 1,246 3,249 1,250 3,258 5,264 2,272 4,276 1194,277 17.684,278 17.684,279 17.684,280 17.684,281 17.684,282 15.623,283 20.633,284 10.064,285 18.4,286 14.83,287 14.83,288 14.83,289 14.83,290 14.83,291 11.64,292 28.555,293 4.788,294 16.153,295 3.321,296 1.767,297 1.031,298 0.303,299 0.25,300 0.25,301 4.047,305 1,306 1,307 654,308 4.472,312 246.163,316 128.3,319 1.776,320 69.132,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 68,332 313,333 4.584,334 4.461,335 7.121,336 4.216,337 3.335,338 4.476,339 3.825,340 11.72,341 3.052,342 4.453,343 4.46,344 7.116,345 4.168,346 3.32,347 3.869,348 3.825,349 11.69,350 2.836,351 4.308,352 3.569,353 6.507,354 3.951,355 3.005,356 3.611,357 1.656,358 10.203,359 2.744,360 3.88,361 3.034,362 5.532,363 3.523,364 2.587,365 3.157,366 0.247,367 7.522,368 2.401,369 3.581,370 2.583,371 5.274,372 3.165,373 2.22,374 2.881,376 6.596,377 2.071,378 3.301,379 2.223,380 4.797,381 2.843,382 1.877,383 2.537,385 5.325,386 1.789,387 3.109,388 1.845,389 4.544,390 2.594,391 1.648,392 2.375,394 4.493,395 1.547,396 2.876,397 1.8,398 4.43,399 2.431,400 1.493,401 1.994,403 4.234,404 1.375,405 2.81,406 1.499,407 4.131,408 2.336,409 1.38,410 1.924,412 3.639,413 1.293,414 2.57,415 1.189,416 3.49,417 2.062,418 1.112,419 1.6,421 2.539,422 1.043,423 2.366,424 1.042,425 3.392,426 1.885,427 0.913,428 1.301,430 2.174,431 0.883,432 1.326,433 0.583,434 2.966,435 0.975,436 0.04,437 0.048,439 0.108,440 0.037,441 1.177,442 0.51,443 2.831,444 0.737,445 -0.259,446 -0.352,448 -0.643,449 -0.254,450 1,451 0.51,452 2.722,453 0.525,454 -0.446,455 -0.622,457 -1.174,458 -0.431,459 0.752,460 0.51,461 2.438,462 0.268,463 -0.717,464 -0.957,466 -1.964,467 -0.685,468 12.148,469 0.434,470 1.135,471 0.041,472 37.25,473 1.33,474 18.5,475 0.661,476 18.75,477 0.67,478 19.578,479 0.699,480 31.652,481 0.833,482 33.816,483 1.208,484 7.863,485 0.281,486 5.174,487 0.185,488 0.169,489 0.082,490 0.288,493 6,496 0.63,497 0.938,498 0.525,499 0.982,500 0.649,501 0.82,502 0.38,503 0.682,504 0.55,505 0.936,506 0.383,507 0.975,508 0.655,509 0.813,510 0.804,511 1.006,512 0.588,513 1.05,514 1.043,515 1.038,516 1.126,517 1.107,518 0.993,519 1.151,520 0.955,521 0.792,522 1.085,523 0.935,524 0.985,525 1.036,526 1.076,527 0.955,528 1.056,529 0.994,530 1.088,531 0.992,532 0.776,533 0.687,534 0.961,535 0.74,536 0.848,537 0.904,538 1.124,539 0.934,540 1.237,541 0.881,542 1.112,543 1.003,544 9,545 0.252,546 3.778,547 2.375,548 1.747,549 1.229,550 0.752,551 0.38,552 0.32,553 0.257,554 9482,555 48835,556 1.956,557 26.3,559 7,561 1,562 2,567 1.708,568 1.768,569 3.441,570 0.388,572 1,577 73.205,578 1.926,579 3.481,580 4.217,581 4.945,582 4.998,583 4.998,584 2.856,585 3.825,586 4.781,587 3.661,588 1383.78,589 8.299,590 18549.2,592 1,594 1,595 199.421,596 1.796,597 4.685,598 0.3,599 0.011,600 0.084,601 0.054,602 0.044,603 0.034,604 0.024,605 0.013,606 0.013,607 0.01,608 0.586,609 0.33,610 1,611 0.944,612 141.54,613 -0.065,614 -0.084,615 -0.014,616 -0.015,617 -0.104,618 0.029,619 0.469,620 0.334,621 0.144,622 0.042,623 0.45,624 -0.143,625 -0.017,626 -0.076,627 -0.001,628 -0.102,629 0.027,630 -0.072,631 -0.193,632 -0.179,633 -0.152,634 -0.159,635 -0.155,636 -0.126,637 -0.094,638 0.007,639 -0.07,640 -0.034,641 -0.122,642 -0.028,643 -0.204,644 -0.182,645 0.003,646 -0.058,647 -0.189,648 0.08,649 0.156,650 0.167,651 0.02,652 0.171,653 0.108,654 0.045,655 -0.233,656 -0.008,657 -0.231,658 0.128,659 -0.244,660 0.078,661 5.925,662 5.069,663 0.571,664 25.878,665 1.082,666 1.177,667 3.6,668 12.957,669 0.676,670 3.434,671 3.829,672 3.989,673 4.205,674 4.443,675 4.5,676 4.635,677 4.575,678 4.691,679 4.585,680 6.879,681 0.717,682 400.31,683 3.434,684 5.017,685 5.849,686 6.751,687 7.605,688 8.502,689 9.366,690 10.26,691 11.129,692 12.02,693 10.5,700 2,703 2,708 2,709 8,710 2,714 4,716 17,735 38,737 18,738 1,739 30,741 40,742 17,743 14,744 3,745 3,748 3,749 4,753 1,754 2,759 2,762 15,763 2,767 1,772 1,776 1,780 1,781 6,783 10,784 11,785 2,786 11,792 4,797 0.667,798 1,809 2,816 3,820 1,843 2,849 6,851 28,860 2,865 2,873 6,874 2.6,877 1,881 15.833,882 6.84,883 5.806,884 2,886 3.365,887 1.457,888 1.004,889 5.077,890 10.73,891 3.701,892 4.344,893 4.885,894 5.478,895 6.062,896 6.339,897 6.721,898 6.965,899 7.308,900 7.223,901 1,902 44,903 11.404,905 6.027,906 8.935,907 17.787,909 14.319,911 3.435,912 96.167,916 94.169,917 110.92,918 69.593,920 25.145,921 89.761,923 110.92,924 119.314,925 159.353,927 36.022,928 66.334,929 70.487,930 112.224,931 6.604,932 82.398,933 15.519,934 94.169,935 180.513,936 114.906,939 94.169,940 114.906,943 65.489,944 81.453,945 33.571,947 183.929,948 94.737,949 110.92,952 109.688,953 20.02,954 75.381,955 36.022,956 148.477,957 94.169,958 184.498,959 110.92,961 0.608,962 0.324,963 0.159,964 0.091,965 22,966 11,967 0.05,968 2,969 1,970 1.125,971 3.816,972 237.855,973 0.125,974 16,975 125.096,981 19.753,982 7.197,983 4.655,984 0.215,985 184.498,986 8.325,987 7.129,991 -2.296,993 36.022,994 389.587,995 39.5,1000 12.069,1004 -0.917,1007 41.112,1008 44.732,1009 0.367,1010 0.663,1011 0.804,1012 0.942,1013 0.952,1014 0.952,1015 4.978,1016 1.493,1017 5.932,1018 4.493,1019 4.511,1020 5.03,1021 3.817,1022 6.817,1023 4.351,1024 6.247,1025 1.38,1026 7.557,1027 4.234,1028 4.511,1029 5.047,1030 4.61,1031 8.153,1032 4.121,1033 7.599,1034 1.112,1035 9.299,1036 3.639,1037 6.275,1038 7.282,1039 6.134,1040 11.106,1041 5.919,1042 8.984,1043 0.913,1044 11.109,1045 2.539,1046 6.995,1047 8.014,1048 7.388,1049 13.169,1050 6.402,1051 10.396,1052 0.04,1053 12.961,1054 2.174,1055 8.37,1056 9.831,1057 8.755,1058 15.766,1059 7.772,1060 11.827,1061 -0.259,1062 14.841,1063 0.108,1064 9.371,1065 10.916,1066 10.083,1067 18.076,1068 8.575,1069 13.273,1070 -0.446,1071 16.74,1072 -0.643,1073 10.618,1074 12.547,1075 11.428,1076 20.569,1077 9.771,1078 3.335,1079 -0.717,1080 18.653,1081 -1.174,1082 11.731,1083 13.82,1084 12.768,1085 22.966,1086 10.722,1087 3.32,1088 11.72,1089 20.576,1090 -1.964,1091 12.936,1092 15.365,1093 14.11,1094 25.428,1095 11.847,1096 3.005,1097 11.69,1098 22.506,1099 4.476,1100 14.094,1101 16.739,1102 15.451,1103 27.858,1104 12.868,1105 2.587,1106 10.203,1107 24.442,1108 3.869,1109 15.287,1110 18.246,1111 16.793,1112 30.311,1113 13.966,1114 2.22,1115 7.522,1116 26.382,1117 3.611,1118 16.464,1119 19.673,1120 18.134,1121 32.754,1122 15.02,1123 1.877,1124 6.596,1125 28.326,1126 3.157,1127 17.654,1128 21.165,1129 19.476,1130 35.206,1131 16.109,1132 1.648,1133 5.325,1134 30.273,1135 2.881,1136 18.84,1137 22.622,1138 20.818,1139 37.655,1140 17.181,1141 9397,1142 21483,1143 18.781,1144 25.671,1145 46.731,1146 45.277,1147 46.666,1148 46.217,1149 45.86,1150 59.547,1151 19.108,1152 140.487,1153 42.141,1154 5.457,1155 6.461,1156 6.666,1157 5.278,1158 5.335,1159 7.476,1160 5.335,1161 18.841,1162 5.052,1163 18.414,1164 1.558,1165 1.509,1166 1.556,1167 1.541,1168 1.529,1169 1.985,1170 0.637,1171 4.683,1172 1.405,1173 4.086,1174 4.114,1175 4.057,1176 4.008,1177 8.517,1178 4.015,1179 3.909,1180 3.95,1181 3.881,1182 3.773,1183 8.509,1184 3.79,1185 3.613,1186 3.652,1187 3.598,1188 3.443,1189 7.999,1190 3.463,1191 3.434,1192 3.48,1193 3.43,1194 3.132,1195 7.999,1196 3.192,1197 3.269,1198 3.316,1199 3.258,1200 2.964,1201 7.999,1202 3.018,1203 3.164,1204 3.218,1205 3.115,1206 2.91,1207 7.999,1208 2.949,1209 2.944,1210 3.009,1211 2.867,1212 2.742,1213 7.431,1214 2.768,1215 2.751,1216 2.823,1217 2.641,1218 2.545,1219 4.979,1220 2.562,1221 0.153,1222 0.149,1223 0.237,1224 0.141,1225 0.111,1226 4.584,1227 0.149,1228 4.461,1229 0.128,1230 7.121,1231 0.391,1232 4.216,1233 0.102,1234 3.335,1235 4.476,1236 3.825,1237 11.72,1238 3.052,1239 2.039,1240 2.016,1241 2.101,1242 2.133,1243 1.233,1244 2.124,1245 1.838,1246 1.802,1247 1.929,1248 1.996,1249 0.968,1250 1.973,1251 1.522,1252 1.487,1253 1.638,1254 1.724,1255 0.706,1256 1.685,1257 1.254,1258 1.209,1259 1.376,1260 1.572,1261 0.33,1262 1.508,1263 1.066,1264 1.024,1265 1.2,1266 1.404,1267 0.254,1268 1.316,1269 1.009,1270 0.967,1271 1.136,1272 1.307,1273 0.125,1274 1.246,1275 0.848,1276 0.8,1277 0.979,1278 1.113,1279 0.076,1280 1.091,1281 0.701,1282 0.63,1283 0.938,1284 0.957,1286 0.97,1287 4.111,1289 5.485,1291 7.034,1293 8.662,1295 10.329,1299 76.368,1305 4.499,1310 -9.225,1314 27.261,1315 73.205,1316 132.26,1317 160.26,1318 187.911,1319 189.911,1320 189.911,1321 84.537,1322 7.365,1323 66.91,1324 66.91,1325 18,1326 12.552,1327 4.248,1328 3.392,1329 49.865,1330 117,1331 90,1332 0.21,1333 163.676,1334 298.33,1335 391.13,1336 15991,1337 15.8,1338 20.527,1339 0.733,1340 0.489,1341 15.527,1342 13.689,1343 13.037,1344 0.435,1345 0.254,1346 7.391,1347 12.12,1348 7.388,1349 6.019,1350 10.614,1351 7.621,1352 13.663,1353 0.304,1354 0.124,1355 9.748,1356 5.573,1357 9.47,1358 0.179,1359 0.068,1360 7.545,1361 3.599,1362 7.649,1363 0.116,1364 0.036,1365 6.58,1366 2.366,1367 6.265,1368 0.075,1369 0.019,1370 5.164,1371 1.555,1372 0.333,1373 84.977,1374 0.231,1375 26.806,1376 0.566,1377 150,1378 880.358,1379 194.352,1380 684.622,1381 863.82,1382 628,1383 173,1384 584.425,1385 203.898,1386 550.458,1387 842.76,1388 515,1389 5.2}
{0 CHEMBL1973711,1 1.888,2 5.95,3 1.001,4 1.002,5 69.79,6 11.064,7 0.273,8 3.444,9 3.51,10 3.314,11 3.064,12 4.87,13 3.108,14 3.886,15 3.946,16 3.755,17 3.467,18 5.353,19 3.5,20 4.158,21 4.228,22 3.903,23 3.615,24 5.641,25 3.66,26 4.173,27 4.253,28 3.925,29 3.557,30 5.968,31 3.604,32 4.105,33 4.22,34 3.79,35 3.417,36 5.713,37 3.461,38 3.96,39 4.108,40 3.602,41 3.133,42 5.817,43 3.141,44 3.53,45 3.715,46 3.245,47 2.455,48 5.399,49 2.462,50 2.406,51 2.63,52 0.814,53 1.325,54 3.659,55 1.089,56 0.182,57 0.373,58 1.261,59 1.713,60 23.93,61 1.18,62 0.331,63 0.548,64 2.339,65 2.998,66 38.016,67 2.625,68 0.541,69 0.683,70 7.455,71 4.346,72 76.094,73 3.237,74 0.641,75 0.733,76 5.633,77 4.146,78 105.469,79 3.413,80 0.531,81 0.696,82 5.411,83 3.918,84 77.61,85 2.889,86 0.561,87 0.579,88 6.717,89 3.7,90 101.437,91 3.383,92 0.498,93 0.319,94 9.429,95 2.723,96 88.099,97 2.339,98 0.174,99 0.085,100 6.965,101 1.114,102 28.354,103 0.935,104 27,105 33,106 0.362,107 0.753,108 0.838,109 0.888,110 0.888,111 0.888,112 3.061,113 0.802,114 -2.79,115 -2.8,116 -2.72,119 50,136 3,139 1,142 3,143 1,144 2,158 3,163 1,164 1,165 1,172 5,175 6,177 1,178 3,180 3,183 8,185 1,188 6,193 2,196 7,198 1,199 3,200 7,202 1,203 3,204 1,205 4,207 1,208 4,210 3,213 4,218 3,221 4,223 2,224 3,225 3,227 2,228 2,230 1,238 6,243 3,248 1,276 438,277 13.232,278 13.232,279 13.232,280 13.232,281 13.232,282 11.635,283 15.547,284 7.431,285 13.526,286 10.76,287 10.76,288 10.76,289 10.76,290 10.76,291 8.115,292 14.7,293 3.403,294 11.27,295 2.813,296 0.779,297 0.337,298 0.077,299 0.077,300 0.077,301 3.732,302 1,305 1,306 1,307 250,308 2.345,312 102.623,316 114.458,319 0.77,320 36.233,323 1,324 0.83,325 1,326 0.4,328 1,329 1,330 0.75,331 44.833,332 119,333 4.749,334 4.13,335 7.133,336 4.365,337 3.378,338 4.356,339 2.035,340 12.437,341 3.335,342 4.128,343 3.73,344 6.163,345 3.712,346 2.741,347 3.687,348 1.2,349 8.932,350 2.649,351 4.015,352 3.358,353 6.057,354 3.541,355 2.556,356 3.342,357 1.041,358 8.491,359 2.521,360 3.52,361 3.232,362 5.206,363 3.061,364 2.154,365 2.804,366 0.8,367 6.001,368 1.944,369 3.345,370 2.859,371 5.016,372 2.877,373 1.924,374 2.452,376 5.919,377 1.768,378 3.221,379 2.467,380 4.84,381 2.728,382 1.783,383 2.218,385 5.073,386 1.623,387 3.088,388 2.354,389 4.071,390 2.191,391 1.192,392 1.761,394 3.102,395 1.182,396 2.576,397 1.567,398 3.538,399 1.806,400 0.821,401 1.276,403 1.765,404 0.8,405 1.801,406 1.091,407 3.193,408 1.027,409 0.142,410 0.192,412 0.304,413 0.113,414 1.267,415 0.819,416 2.815,417 0.914,418 -0.055,419 -0.078,421 -0.119,422 -0.052,423 1,424 0.641,425 2.451,426 0.609,427 -0.355,428 -0.45,430 -0.932,431 -0.324,432 0.95,433 0.065,434 2.382,435 0.426,436 -0.638,437 -0.75,439 -1.485,440 -0.476,441 0.545,442 -0.067,443 2.266,444 0.144,445 -0.669,446 -0.975,448 -1.657,449 -0.672,450 0.438,451 -0.541,452 1.808,453 0.004,454 -1,455 -1.442,457 -3.023,458 -1.005,459 -0.024,460 -0.747,461 1.704,462 -0.414,463 -1.285,464 -1.532,466 -3.266,467 -1.029,468 9.414,469 0.471,470 0.648,471 0.032,472 28.75,473 1.438,474 15.5,475 0.775,476 13.25,477 0.663,478 12.952,479 0.648,480 19.986,481 0.769,482 21.37,483 1.069,484 5.798,485 0.29,486 3.726,487 0.186,488 0.232,490 0.478,496 0.81,497 0.891,498 0.51,499 0.644,500 0.639,501 0.559,502 0.613,503 0.871,504 0.523,505 0.795,506 0.534,507 0.739,508 1.269,509 1.047,510 1.022,511 1.001,512 0.992,513 0.905,514 0.779,515 0.975,516 0.803,517 0.979,518 0.718,519 0.997,520 1.109,521 1.297,522 0.878,523 1.126,524 1.166,525 1.125,526 0.954,527 1.094,528 1.084,529 1.026,530 1.147,531 1.182,532 1.156,533 0.816,534 1.51,535 1.224,536 1.723,537 1.195,538 2.371,539 0.268,540 4.729,541 1.737,542 2.272,543 2.074,544 4.5,546 2.667,547 2.188,548 2.164,549 1.069,550 0.528,551 0.111,554 2944,555 13209,556 2.018,557 23.1,559 3,562 3,567 1.631,568 1.818,569 2.621,570 1.201,574 1,577 49.086,578 1.888,579 3.921,580 4.364,581 4.624,582 4.624,583 4.624,584 1.857,585 3.784,586 4.298,587 2.703,588 513.554,589 7.406,590 5102.6,591 1,592 1,595 122.211,596 1.539,597 4.214,598 0.205,600 0.081,601 0.058,602 0.058,603 0.036,604 0.025,605 0.012,608 0.475,609 0.67,610 1,611 0.932,612 84.311,613 -0.164,614 0.143,615 -0.037,616 0.137,617 -0.094,618 0.14,619 0.135,620 0.081,621 0.066,622 0.05,623 0.062,624 0.038,625 -0.313,626 -0.144,627 -0.212,628 -0.077,629 -0.187,630 -0.053,631 0.202,632 0.001,633 -0.063,634 -0.084,635 0.23,636 -0.159,637 -0.188,638 -0.305,639 -0.036,640 -0.205,641 -0.201,642 -0.185,643 0.11,644 -0.108,645 0.107,646 0.015,647 0.098,648 -0.055,649 0.168,650 0.119,651 0.405,652 0.022,653 -0.081,654 0.211,655 -0.955,656 0.533,657 -1.767,658 -0.209,659 -0.836,660 -0.332,661 2.433,662 4.879,663 0.7,664 10.7,665 1.053,666 1.111,667 1.562,668 2.44,669 0.76,670 3.135,671 3.526,672 3.871,673 4.234,674 4.543,675 4.663,676 4.71,677 4.762,678 4.812,679 4.585,680 3.997,681 0.773,682 287.67,683 3.135,684 4.71,685 5.602,686 6.532,687 7.449,688 8.385,689 9.31,690 10.246,691 11.174,692 12.11,693 11.5,694 1,700 1,702 1,709 3,714 3,716 6,733 1,734 1,735 26,737 11,738 1,739 22,741 28,742 13,743 6,744 3,745 3,746 6,748 3,749 6,750 1,761 1,762 12,767 4,772 2,776 6,780 1,783 6,784 6,785 3,786 7,787 1,792 3,794 1,797 0.333,798 3,816 3,820 2,825 1,835 3,836 1,843 1,848 1,851 20,852 1,860 1,861 1,866 1,870 1,872 1,873 1,874 11.5,877 2,879 1,881 11,882 4.926,883 4.361,884 1.405,886 2.381,887 1.342,888 1.016,889 2.786,890 9.347,891 3.466,892 4.069,893 4.694,894 5.322,895 5.883,896 6.254,897 6.517,898 6.873,899 7.181,900 7.159,901 0.75,902 38,903 7.375,905 3.37,906 8.381,907 13.049,909 10.802,911 2.881,912 57.611,916 35.313,917 80.741,918 81.967,919 39.149,920 61.29,923 80.741,924 135.752,925 81.967,927 50.908,928 28.429,929 76.301,930 68.36,932 35.313,933 39.149,934 35.313,935 162.708,936 61.29,937 39.149,939 35.313,940 61.29,943 81.967,944 80.741,945 39.149,947 35.313,948 143.257,949 119.889,952 35.313,953 35.71,954 28.429,955 34.612,956 164.395,957 35.313,958 143.257,959 119.889,961 0.596,962 0.371,963 0.221,964 0.13,965 18,966 9,969 2,970 1.286,971 2.974,972 165.138,973 0.286,974 14,975 86.439,981 12.733,982 4.375,983 1.817,985 143.257,986 4.651,991 1.109,993 50.908,994 298.46,995 31,1000 23.622,1004 -1.704,1007 27.378,1008 28.898,1009 0.402,1010 0.834,1011 0.928,1012 0.984,1013 0.984,1014 0.984,1015 4.758,1016 0.821,1017 5.638,1018 3.102,1019 4.205,1020 4.754,1021 2.748,1022 6.553,1023 4.128,1024 6.022,1025 0.142,1026 7.265,1027 1.765,1028 4.007,1029 4.732,1031 7.65,1032 3.902,1033 7.376,1034 -0.055,1035 8.99,1036 0.304,1037 5.894,1038 6.99,1039 3.752,1040 10.822,1041 5.777,1042 8.761,1043 -0.355,1044 10.771,1045 -0.119,1046 6.463,1047 7.73,1049 12.74,1050 6.342,1051 10.174,1052 -0.638,1053 12.589,1054 -0.932,1055 7.89,1056 9.512,1057 5.024,1058 15.468,1059 7.756,1060 11.61,1061 -0.669,1062 14.433,1063 -1.485,1064 8.811,1065 10.613,1067 17.741,1068 8.678,1069 13.064,1070 -1,1071 16.297,1072 -1.657,1073 10.077,1074 12.204,1075 6.397,1076 20.323,1077 9.932,1078 3.378,1079 -1.285,1080 18.176,1081 -3.023,1082 11.158,1083 13.484,1085 22.744,1086 11.01,1087 2.741,1088 12.437,1089 20.069,1090 -3.266,1091 12.374,1092 14.995,1093 7.803,1094 25.28,1095 12.215,1096 2.556,1097 8.932,1098 21.973,1099 4.356,1100 13.525,1101 16.365,1103 27.76,1104 13.36,1105 2.154,1106 8.491,1107 23.886,1108 3.687,1109 14.729,1110 17.844,1111 9.22,1112 30.283,1113 14.553,1114 1.924,1115 6.001,1116 25.806,1117 3.342,1118 15.913,1119 19.259,1121 32.787,1122 15.728,1123 1.783,1124 5.919,1125 27.733,1126 2.804,1127 17.117,1128 20.727,1129 10.639,1130 35.306,1131 16.921,1132 1.192,1133 5.073,1134 29.666,1135 2.452,1136 18.316,1137 22.166,1139 37.82,1140 18.11,1141 2995,1142 6415,1143 14.046,1144 19.761,1145 35.52,1146 38.47,1147 36.435,1148 33.437,1149 33.381,1150 44.176,1151 10.151,1152 104.05,1153 31.869,1154 5.687,1155 6.13,1156 6.636,1157 5.456,1158 5.378,1159 7.356,1160 4.069,1161 20.011,1162 5.335,1163 11.533,1164 1.615,1165 1.749,1166 1.656,1167 1.52,1168 1.517,1169 2.008,1170 0.461,1171 4.73,1172 1.449,1173 4.045,1174 4.052,1175 4.078,1176 3.969,1177 7.447,1178 3.979,1179 3.722,1180 3.741,1181 3.819,1182 3.618,1183 7.411,1184 3.628,1185 3.387,1186 3.42,1187 3.408,1188 3.194,1189 6.818,1190 3.233,1191 3.184,1192 3.23,1193 3.288,1194 2.903,1195 5.151,1196 2.955,1197 2.884,1198 2.933,1199 3.048,1200 2.763,1201 4.912,1202 2.754,1203 2.837,1204 2.877,1205 2.778,1206 2.665,1207 4.483,1208 2.686,1209 2.789,1210 2.807,1211 2.758,1212 2.41,1213 4.06,1214 2.485,1215 2.347,1216 2.413,1217 2.31,1218 2.13,1219 3.867,1220 2.155,1221 0.216,1222 0.188,1223 0.324,1224 0.198,1225 0.154,1226 4.749,1227 0.198,1228 4.13,1229 0.092,1230 7.133,1231 0.565,1232 4.365,1233 0.152,1234 3.378,1235 4.356,1236 2.035,1237 12.437,1238 3.335,1239 1.981,1240 1.974,1241 2.018,1242 2.076,1243 1.177,1244 2.058,1245 1.664,1246 1.647,1247 1.721,1248 1.8,1249 0.8,1250 1.783,1251 1.269,1252 1.247,1253 1.37,1254 1.524,1255 0.232,1256 1.483,1257 1.018,1258 0.98,1259 1.156,1260 1.329,1261 0.131,1262 1.275,1263 0.867,1264 0.821,1265 1.072,1266 1.05,1267 0.032,1268 1.065,1269 0.741,1270 0.698,1271 0.922,1272 0.997,1274 0.988,1275 0.577,1276 0.544,1277 0.707,1278 0.928,1280 0.845,1281 0.285,1282 0.218,1283 0.483,1284 0.535,1286 0.542,1287 3.807,1289 5.176,1291 6.765,1293 8.467,1295 10.23,1298 5.914,1301 5.704,1305 2.046,1306 5.338,1312 9.151,1313 1.781,1314 20.09,1315 49.086,1316 101.947,1317 113.457,1318 120.211,1319 120.211,1320 120.211,1321 45.174,1322 6.966,1323 112.88,1324 112.88,1325 18,1326 12.609,1327 3.585,1328 3.322,1329 29.491,1330 47,1331 46,1332 0.325,1333 127.649,1334 236.3,1335 303.223,1336 8106,1337 3.8,1338 14.439,1339 0.722,1340 0.531,1341 14.939,1342 10.615,1343 9.524,1344 0.433,1345 0.267,1346 5.446,1347 8.82,1348 5.339,1349 4.365,1350 9.813,1351 5.884,1352 8.972,1353 0.272,1354 0.138,1355 9.38,1356 4.563,1357 7.678,1358 0.163,1359 0.068,1360 7.94,1361 3.205,1362 7.067,1363 0.104,1364 0.034,1365 7.286,1366 2.319,1367 5.851,1368 0.063,1369 0.018,1370 6.133,1371 1.652,1372 0.466,1373 63.342,1374 0.267,1375 18.805,1376 1.045,1377 110,1378 414.7,1379 138.041,1380 428.905,1381 562.23,1382 394,1383 135,1384 384.915,1385 156.728,1386 396.888,1387 586,1388 373,1389 5.1}
{0 CHEMBL1973720,1 1.573,2 9.958,3 2.736,4 7.484,5 96.714,6 7.974,7 0.593,8 3.882,9 4.02,10 3.51,11 3.427,12 4.947,13 3.407,14 4.427,15 4.606,16 3.911,17 3.852,18 5.472,19 3.799,20 4.729,21 4.976,22 3.891,23 3.962,24 5.636,25 3.865,26 4.717,27 4.989,28 3.853,29 3.872,30 5.638,31 3.765,32 4.572,33 4.84,34 3.773,35 3.756,36 5.525,37 3.66,38 4.399,39 4.615,40 3.859,41 3.703,42 5.47,43 3.628,44 4.341,45 4.539,46 3.713,47 3.674,48 5.435,49 3.555,50 4.273,51 4.494,52 3.421,53 3.564,54 5.204,55 3.425,56 0.047,57 0.701,58 8.41,59 3.413,60 9.011,61 4.733,62 0.209,63 1.121,64 16.631,65 6.338,66 22.521,67 8.898,68 0.248,69 1.328,70 26.787,71 8.411,72 31.831,73 12.336,74 0.372,75 1.241,76 28.208,77 8.112,78 38.759,79 12.212,80 0.314,81 1.077,82 25.086,83 7.031,84 35.316,85 10.336,86 0.311,87 0.929,88 22.03,89 5.656,90 29.435,91 7.925,92 0.34,93 0.83,94 24.177,95 6.426,96 35.991,97 8.513,98 0.196,99 0.773,100 21.267,101 6.068,102 24.231,103 8.292,104 5,105 38,106 0.273,107 0.651,108 0.778,109 0.822,110 0.854,111 0.854,112 3.229,113 0.951,114 -3.89,115 -3.85,116 -3.65,119 39.5,121 4,127 2,142 3,143 2,145 1,146 1,147 1,150 1,151 1,161 1,163 1,164 1,165 1,172 5,174 1,175 6,178 3,180 6,183 6,185 2,188 3,193 5,196 4,198 2,200 7,203 1,205 5,208 2,212 1,213 7,217 1,218 1,220 1,221 2,225 1,228 1,229 1,230 2,233 7,237 1,238 2,240 2,241 3,243 1,246 9,255 2,258 4,264 2,269 5,272 4,274 3,276 776,277 16.394,278 16.394,279 16.394,280 16.394,281 16.394,282 14.552,283 14.25,284 9.693,285 16.865,286 13.375,287 13.375,288 13.375,289 13.375,290 13.375,291 10.595,292 21.907,293 4.67,294 14.213,295 3.854,296 1.682,297 0.948,298 0.698,299 0.512,300 0.512,301 3.929,303 1,304 1,305 1,306 1,307 530,308 2.236,311 47.456,312 207.371,315 90.419,319 1.465,320 19.897,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 51.333,332 239,333 4.6,334 3.205,335 6.714,336 4.141,337 3.167,338 4.535,339 0.4,340 10.928,341 3.088,342 4.151,343 2.976,344 5.871,345 3.706,346 2.776,347 3.816,349 8.377,350 2.602,351 3.666,352 2.752,353 5.548,354 3.529,355 2.57,356 2.959,358 7.433,359 2.44,360 3.514,361 2.423,362 5.235,363 3.171,364 2.22,365 2.68,367 6.515,368 2.106,369 3.294,370 2.299,371 4.919,372 2.975,373 2.075,374 2.449,376 5.747,377 1.862,378 3.046,379 1.957,380 4.664,381 2.681,382 1.786,383 2.319,385 5.04,386 1.53,387 2.978,388 1.547,389 4.501,390 2.513,391 1.547,392 2.128,394 4.23,395 1.489,396 2.895,397 1.456,398 4.004,399 2.374,400 1.434,401 1.969,403 3.443,404 1.322,405 2.524,406 1.037,407 3.564,408 2,409 1.028,410 1.535,412 2.559,413 1,414 2,415 1,416 3.414,417 1.989,418 1,419 1,421 2.275,422 0.982,423 1.973,424 0.499,425 3.094,426 1.428,427 0.489,428 0.721,430 1.179,431 0.458,432 1.305,433 0.385,434 2.97,435 1.135,436 0.195,437 0.208,439 0.483,440 0.183,441 0.954,442 0.207,443 2.556,444 0.547,445 -0.365,446 -0.433,448 -0.933,449 -0.244,450 0.843,451 -0.251,452 2.285,453 0.407,454 -0.439,455 -0.531,457 -1.135,458 -0.387,459 0.672,460 -0.616,461 2,462 0.198,463 -0.689,464 -0.873,466 -1.751,467 -0.614,468 11.614,469 0.484,470 0.571,471 0.024,472 31,473 1.292,474 14.5,475 0.604,476 16.5,477 0.688,478 19.971,479 0.832,480 25.586,481 0.595,482 19.713,483 0.821,484 5.598,485 0.233,486 6.089,487 0.254,488 0.096,490 0.344,496 0.94,497 1.336,498 0.648,499 0.919,500 0.938,501 0.86,502 0.602,503 1.15,504 0.697,505 1.049,506 0.562,507 1.01,508 0.98,509 1.13,510 0.815,511 0.953,512 0.934,513 0.953,514 0.843,515 0.973,516 0.723,517 0.857,518 0.837,519 0.865,520 1.089,521 0.885,522 0.847,523 0.744,524 0.968,525 0.772,526 1.461,527 0.968,528 1.274,529 0.899,530 1.374,531 0.903,532 1.405,533 0.862,534 1.867,535 1.295,536 1.341,537 1.227,538 1.378,539 1.057,540 1.646,541 1.302,542 1.37,543 1.247,544 5,545 0.058,546 2.222,547 1.632,548 1.103,549 0.507,550 0.636,551 0.267,552 0.218,553 0.091,554 6632,555 16747,556 2.161,557 44.2,559 5,560 1,561 1,562 4,564 8,567 1.67,568 2.057,569 3.289,570 1.819,571 1,572 1,574 1,577 67.622,578 1.573,579 3.744,580 4.478,581 4.729,582 4.915,583 4.915,584 2.736,585 4.054,586 4.557,587 3.408,588 940.624,589 7.867,590 10888.1,592 1,594 1,595 233.329,596 1.281,597 4.532,598 0.185,599 0.005,600 0.058,601 0.045,602 0.034,603 0.017,604 0.021,605 0.011,606 0.011,607 0.006,608 0.394,609 0.33,610 1,611 0.49,612 113.484,613 -0.134,614 -0.099,615 0.014,616 0.039,617 -0.114,618 0.057,619 0.223,620 -0.009,621 0.037,622 -0.087,623 0.22,624 -0.068,625 -0.095,626 -0.137,627 0.02,628 -0.002,629 -0.035,630 0.015,631 0.095,632 -0.024,633 0.15,634 0.082,635 0.07,636 0.106,637 -0.033,638 0.075,639 0.13,640 0.202,641 -0.004,642 0.19,643 -0.107,644 0.082,645 -0.008,646 0.082,647 -0.162,648 0.026,649 -0.026,650 0.133,651 -0.301,652 -0.203,653 -0.035,654 -0.237,655 -0.27,656 -0.106,657 -0.325,658 -0.228,659 -0.285,660 -0.233,661 1.242,662 2.111,663 0.875,664 18.833,665 1.003,666 1.136,667 2.659,668 7.07,669 0.68,670 3.332,671 3.664,672 3.932,673 4.234,674 4.454,675 4.511,676 4.635,677 4.779,678 4.804,679 4.875,680 5.772,681 0.643,682 342.87,683 3.332,684 4.875,685 5.727,686 6.611,687 7.479,688 8.368,689 9.245,690 10.137,691 11.018,692 11.911,693 14,694 1,698 1,701 1,703 3,708 2,709 5,710 3,711 1,714 4,716 16,728 1,734 1,735 43,737 16,739 27,741 46,742 17,743 11,748 4,749 5,750 1,757 6,760 6,762 11,763 6,779 1,780 1,783 19,784 5,785 4,786 7,787 1,792 6,797 0.75,809 1,810 1,811 1,815 1,816 3,819 1,836 1,843 3,848 1,851 24,852 1,858 4,860 1,863 2,873 1,881 11.667,882 7.41,883 5.167,884 2.665,886 3.213,887 1.435,888 1.02,889 4.293,890 10.598,891 3.584,892 4.201,893 4.811,894 5.457,895 5.989,896 6.343,897 6.791,898 7.249,899 7.454,900 7.826,901 0.857,902 36,903 8.848,905 3.815,906 7.616,907 17.171,909 14.587,911 2.116,912 50.778,915 1,916 176.567,917 71.863,918 118.05,919 39.149,923 71.863,924 215.715,925 118.05,927 43.035,928 37.476,929 81.854,930 34.348,931 55.891,932 153.024,934 176.567,935 189.913,937 39.149,939 82.398,940 94.169,943 75.239,944 46.306,945 68.367,946 39.149,947 176.567,948 118.05,949 111.012,952 176.567,953 25.34,954 46.524,955 34.796,956 122.402,957 176.567,958 118.05,959 111.012,961 0.583,962 0.334,963 0.187,964 0.105,965 20,966 8,967 0.065,968 3,969 1,970 1.095,971 3.681,972 200.694,973 0.095,974 21,975 106.039,981 15.67,982 6.575,983 3.356,984 1.847,985 101.265,986 9.363,987 13.29,988 3.163,991 2.741,993 67.693,994 405.628,995 35,1007 43.12,1008 48.84,1009 0.29,1010 0.69,1011 0.825,1012 0.871,1013 0.906,1014 0.906,1015 4.82,1016 1.434,1017 5.707,1018 4.23,1019 4.344,1020 4.887,1021 0.278,1022 6.506,1023 4.233,1024 6.019,1025 1.028,1026 7.251,1027 3.443,1028 3.892,1029 4.677,1031 7.345,1032 3.704,1033 7.32,1034 1,1035 8.89,1036 2.559,1037 5.922,1038 7.11,1039 0.05,1040 10.459,1041 5.726,1042 8.657,1043 0.489,1044 10.588,1045 2.275,1046 6.275,1047 7.778,1049 12.166,1050 6.032,1051 10.029,1052 0.195,1053 12.324,1054 1.179,1055 7.775,1056 9.678,1057 0.008,1058 14.796,1059 7.517,1060 11.426,1061 -0.365,1062 14.09,1063 0.483,1064 8.523,1065 10.782,1067 16.889,1068 8.235,1069 12.846,1070 -0.439,1071 15.878,1072 -0.933,1073 9.799,1074 12.453,1075 0.001,1076 19.354,1077 9.491,1078 3.167,1079 -0.689,1080 17.685,1081 -1.135,1082 10.745,1083 13.769,1085 21.617,1086 10.415,1087 2.776,1088 10.928,1089 19.507,1090 -1.751,1091 11.928,1092 15.34,1094 24.027,1095 11.577,1096 2.57,1097 8.377,1098 21.342,1099 4.535,1100 12.971,1101 16.756,1103 26.361,1104 12.601,1105 2.22,1106 7.433,1107 23.187,1108 3.816,1109 14.119,1110 18.285,1112 28.756,1113 13.728,1114 2.075,1115 6.515,1116 25.041,1117 2.959,1118 15.21,1119 19.748,1121 31.121,1122 14.801,1123 1.786,1124 5.747,1125 26.903,1126 2.68,1127 16.347,1128 21.262,1130 33.51,1131 15.918,1132 1.547,1133 5.04,1134 28.772,1135 2.449,1136 17.462,1137 22.747,1139 35.889,1140 17.014,1141 6220,1142 10055,1143 18.493,1144 29.222,1145 40.782,1146 40.828,1147 41.443,1148 40.793,1149 40.574,1150 52.639,1151 0.8,1152 116.418,1153 38.123,1154 5.6,1155 5.205,1156 6.396,1157 5.216,1158 5.167,1159 7.535,1160 0.8,1161 18.109,1162 5.088,1163 8.833,1164 1.51,1165 1.512,1166 1.535,1167 1.511,1168 1.503,1169 1.95,1170 0.03,1171 4.312,1172 1.412,1173 4.125,1174 4.165,1175 4.113,1176 4.014,1177 5.14,1178 4.029,1179 3.902,1180 3.963,1181 3.918,1182 3.764,1183 5.007,1184 3.761,1185 3.751,1186 3.801,1187 3.736,1188 3.607,1189 5,1190 3.621,1191 3.371,1192 3.438,1193 3.357,1194 3.219,1195 4.509,1196 3.224,1197 3.271,1198 3.361,1199 3.249,1200 3.057,1201 4.345,1202 3.061,1203 3.111,1204 3.206,1205 3.047,1206 2.941,1207 4.154,1208 2.91,1209 2.887,1210 2.98,1211 2.866,1212 2.667,1213 3.914,1214 2.694,1215 2.846,1216 2.92,1217 2.785,1218 2.625,1219 3.717,1220 2.636,1221 0.17,1222 0.119,1223 0.249,1224 0.153,1225 0.117,1226 4.6,1227 0.168,1228 3.205,1229 0.015,1230 6.714,1231 0.405,1232 4.141,1233 0.114,1234 3.167,1235 4.535,1236 0.4,1237 10.928,1238 3.088,1239 1.91,1240 1.879,1241 2.085,1242 2.058,1243 1.464,1244 2.066,1245 1.868,1246 1.816,1247 1.967,1248 2.001,1249 1.082,1250 1.995,1251 1.72,1252 1.676,1253 1.79,1254 1.904,1255 0.83,1256 1.881,1257 1.389,1258 1.324,1259 1.548,1260 1.63,1261 0.825,1262 1.615,1263 1.227,1264 1.145,1265 1.513,1266 1.491,1267 0.759,1268 1.497,1269 1.153,1270 1.064,1271 1.468,1272 1.376,1273 0.495,1274 1.429,1275 1.001,1276 0.953,1277 1.167,1278 1.171,1279 0.274,1280 1.178,1281 0.78,1282 0.694,1283 1.081,1284 1.085,1285 0.061,1286 1.1,1287 4.007,1289 5.333,1290 2.398,1291 6.849,1292 4.727,1293 8.453,1294 6.843,1295 10.101,1298 6.222,1301 5.966,1303 4.116,1305 3.405,1308 0.665,1314 27.644,1315 67.622,1316 160.991,1317 192.574,1318 203.329,1319 211.329,1320 211.329,1321 32.024,1322 7.385,1323 92.51,1324 92.51,1325 23,1326 12.44,1327 4.087,1328 3.17,1329 33.843,1330 83,1331 90,1332 0.201,1333 172.874,1334 283.25,1335 413.571,1336 16016,1337 2.3,1338 16.518,1339 0.688,1340 0.58,1341 17.018,1342 13.923,1343 11.687,1344 0.433,1345 0.317,1346 8.117,1347 11.035,1348 7.961,1349 6.563,1350 11.975,1351 8.558,1352 10.75,1353 0.283,1354 0.175,1355 11.158,1356 6.645,1357 8.873,1358 0.177,1359 0.094,1360 9.109,1361 4.721,1362 7.745,1363 0.114,1364 0.05,1365 8.063,1366 3.418,1367 6.308,1368 0.074,1369 0.028,1370 6.54,1371 2.398,1372 0.312,1373 75.717,1374 0.233,1375 23.316,1376 0.56,1377 130,1378 335.117,1379 157.021,1380 362.947,1381 499.26,1382 340,1383 153,1384 359.539,1385 173.416,1386 374.181,1387 550.96,1388 354,1389 7.1}
{0 CHEMBL1973808,1 1.71,2 8.632,3 2.923,4 8.543,5 74.133,6 9.37,7 0.762,8 3.505,9 3.61,10 3.265,11 3.14,12 4.737,13 3.132,14 3.948,15 4.065,16 3.633,17 3.513,18 5.199,19 3.486,20 4.159,21 4.321,22 3.593,23 3.551,24 5.378,25 3.489,26 4.13,27 4.337,28 3.353,29 3.338,30 5.351,31 3.274,32 3.887,33 4.096,34 3.168,35 3.115,36 5.119,37 3.067,38 3.7,39 3.862,40 3.254,41 3.087,42 5.061,43 3.046,44 3.679,45 3.857,46 3.051,47 3.069,48 4.929,49 2.982,50 3.552,51 3.756,52 2.944,53 2.93,54 4.614,55 2.82,56 0.075,57 0.428,58 3.527,59 2.134,60 5.043,61 2.373,62 0.127,63 0.644,64 6.083,65 3.547,66 11.171,67 4.062,68 0.2,69 0.747,70 12.389,71 4.962,72 20.625,73 5.626,74 0.274,75 0.717,76 14.554,77 4.917,78 30.578,79 5.53,80 0.269,81 0.558,82 10.518,83 3.931,84 35.003,85 4.396,86 0.226,87 0.448,88 8.1,89 3.113,90 26.609,91 3.487,92 0.191,93 0.435,94 8.324,95 3.359,96 22.312,97 4.197,98 0.096,99 0.389,100 7.171,101 3.065,102 12.569,103 3.907,104 5,105 29,106 0.321,107 0.617,108 0.76,109 0.861,110 0.861,111 0.861,112 3.01,113 0.872,114 -4.22,115 -4.16,116 -3.93,119 48.3,142 7,143 2,144 2,145 1,152 1,158 1,168 1,172 6,175 2,178 1,180 5,183 8,188 4,193 6,196 6,200 5,205 2,208 3,213 2,216 1,217 1,221 6,225 1,230 1,233 8,237 1,238 1,241 1,243 1,246 4,250 2,255 2,258 2,264 2,269 2,272 2,276 397,277 12.878,278 12.878,279 12.878,280 12.878,281 12.878,282 10.873,283 9.121,284 7.588,285 13.111,286 10.365,287 10.365,288 10.365,289 10.365,290 10.365,291 7.375,292 11.333,293 3.623,294 10.781,295 3.147,296 1.574,297 0.816,298 0.276,299 0.276,300 0.276,301 3.689,302 1,305 1,306 1,307 359,308 2.55,311 43.987,312 108.164,315 75.878,319 1.335,320 16.664,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 40.833,332 164,333 4.43,334 3.573,335 6.201,336 3.944,337 2.961,338 4.366,339 1.058,340 9.286,341 2.909,342 4.185,343 2.946,344 6.045,345 3.801,346 2.806,347 3.762,349 8.663,350 2.789,351 3.731,352 2.902,353 5.262,354 3.286,355 2.357,356 3.143,358 6.691,359 2.193,360 3.52,361 2.328,362 4.997,363 3.065,364 2.127,365 2.887,367 5.927,368 1.916,369 3.034,370 1.965,371 4.37,372 2.517,373 1.534,374 2.301,376 4.219,377 1.507,378 2.786,379 1.534,380 4.026,381 2.275,382 1.293,383 1.824,385 3.345,386 1.225,387 2.575,388 1.132,389 3.44,390 2.044,391 1.072,392 1.595,394 2.411,395 1.035,396 2.5,397 1,398 3.414,399 2,400 1,401 1.5,403 2.275,404 1,405 1.951,406 0.649,407 3.051,408 1.436,409 0.468,410 0.686,412 1.128,413 0.451,414 1.156,415 0.451,416 2.744,417 0.785,418 -0.138,419 -0.169,421 -0.333,422 -0.105,423 1.11,424 0.245,425 2.265,426 0.582,427 -0.35,428 -0.478,430 -0.823,431 -0.302,432 0.636,433 -0.547,434 2,435 0.139,436 -0.858,437 -1.259,439 -2.344,440 -0.847,441 0.5,442 -0.859,443 1.926,445 -1,446 -1.431,448 -2.513,449 -0.954,450 0.487,451 -0.941,452 1.624,453 -0.003,454 -1,455 -1.5,457 -2.997,458 -1,459 0.007,460 -1,461 1.514,462 -0.423,463 -1.236,464 -1.594,466 -3,467 -1.009,468 9.248,469 0.487,470 0.452,471 0.024,472 28,473 1.474,474 16,475 0.842,476 12,477 0.632,478 10.696,479 0.563,480 18.952,481 0.654,482 17.631,483 0.928,484 5.706,485 0.3,486 3.514,487 0.185,488 0.113,490 0.324,496 0.649,497 0.923,498 0.538,499 0.711,500 0.56,501 0.7,502 0.65,503 1.194,504 0.661,505 0.941,506 0.581,507 0.931,508 1.066,509 1.207,510 1.082,511 1.183,512 0.967,513 1.163,514 1.344,515 1.083,516 1.058,517 1.074,518 1.367,519 1.077,520 1.351,521 0.638,522 0.697,523 0.695,524 1.856,525 0.789,526 0.81,527 0.848,528 0.74,529 0.995,530 1.087,531 0.945,532 0.639,533 0.885,534 0.909,535 1.028,536 0.934,537 1.075,538 0.651,539 1.135,540 0.819,541 1.016,542 0.586,543 1.065,544 4,545 0.05,546 2.222,547 1.007,548 0.871,549 0.462,550 0.228,551 0.236,552 0.107,553 0.055,554 3544,555 11992,556 2.113,557 34.5,559 7,561 1,562 2,567 1.598,568 2,569 3.123,570 0.393,572 1,574 1,577 49.604,578 1.71,579 3.284,580 4.042,581 4.582,582 4.582,583 4.582,584 2.55,585 3.722,586 4.223,587 3.229,588 552.086,589 7.167,590 5439.43,591 1,592 1,593 1,594 1,595 140.881,596 1.324,597 4.189,598 0.19,599 0.013,600 0.077,601 0.039,602 0.044,603 0.027,604 0.013,605 0.016,606 0.009,607 0.007,608 0.434,609 0.83,610 1,611 0.565,612 82.907,613 -0.02,614 0.164,616 0.09,617 -0.073,618 0.065,619 0.037,620 -0.161,621 -0.027,622 -0.101,623 0.024,624 -0.117,625 -0.161,626 -0.244,627 -0.183,628 -0.247,629 -0.068,630 -0.236,631 -0.226,632 -0.115,633 -0.13,634 -0.104,635 -0.116,636 -0.086,637 -0.11,638 0.317,639 0.093,640 0.285,641 -0.215,642 0.217,643 0.229,644 0.094,645 0.121,646 -0.039,647 0.158,648 0.004,649 0.243,650 0.01,651 -0.025,652 -0.034,653 0.09,654 -0.061,655 0.04,656 -0.25,657 0.141,658 0.006,659 0.037,660 0.011,661 1.834,662 5.022,663 0.789,664 12.404,665 1.017,666 1.114,667 2.991,668 8.945,669 0.737,670 3.091,671 3.401,672 3.638,673 3.85,674 4.007,675 4.007,676 4.025,677 4.111,678 3.989,679 4.007,680 5.142,681 0.714,682 271.72,683 3.091,684 4.615,685 5.451,686 6.312,687 7.162,688 8.024,689 8.878,690 9.741,691 10.597,692 11.461,693 10.3,700 1,701 1,703 1,708 2,709 8,710 1,711 1,714 3,716 16,723 1,734 1,735 29,737 17,738 2,739 21,741 31,742 14,743 13,744 5,745 7,746 1,748 3,749 4,750 1,762 14,767 1,772 1,776 1,780 1,783 10,784 3,785 2,786 5,787 1,792 3,797 0.667,798 1,807 1,815 1,816 2,819 1,843 2,848 1,851 19,860 1,873 1,874 3.4,877 1,881 9.5,882 5.176,883 4.139,884 1.59,886 3.009,887 1.462,888 1.034,889 3.133,890 9.518,891 3.434,892 4.073,893 4.674,894 5.254,895 5.731,896 5.961,897 6.261,898 6.599,899 6.523,900 6.865,901 0.833,902 26,903 6.957,905 2.965,906 7.874,907 13.018,909 10.547,911 2.374,912 45.111,913 0.001,916 94.169,917 94.246,918 51.337,919 39.149,920 25.145,923 94.246,924 158.462,925 51.337,927 18.011,928 66.334,929 58.284,930 37.726,931 2.144,932 82.398,933 39.149,934 94.169,935 145.583,936 25.145,937 39.149,939 94.169,940 25.145,943 43.721,944 85.198,945 55.812,947 94.169,948 76.482,949 133.394,952 94.169,953 18.865,954 75.381,955 34.674,956 80.957,957 94.169,958 76.482,959 133.394,961 0.583,962 0.335,963 0.172,964 0.089,965 15,966 6,967 0.065,968 2,969 1,970 1.133,971 3.245,972 137.122,973 0.133,974 15,975 76.711,981 12.055,982 4.938,983 2.56,984 1.887,985 59.819,986 14.043,987 3.937,988 2.861,991 1.905,993 34.674,994 304.045,995 30,1000 12.022,1004 -0.167,1007 29.491,1008 32.309,1009 0.352,1010 0.676,1011 0.832,1012 0.943,1013 0.943,1014 0.943,1015 4.635,1016 1,1017 5.425,1018 2.411,1019 4.078,1020 4.758,1021 1.176,1022 6.188,1023 4.011,1024 5.855,1025 0.468,1026 6.956,1027 2.275,1028 3.611,1029 4.543,1031 6.969,1032 3.487,1033 7.16,1034 -0.138,1035 8.581,1036 1.128,1037 5.631,1038 7.011,1039 1.255,1040 10.016,1041 5.52,1042 8.502,1043 -0.35,1044 10.26,1045 -0.333,1046 5.969,1047 7.634,1049 11.603,1050 5.825,1051 9.872,1052 -0.858,1053 11.973,1054 -0.823,1055 7.447,1056 9.545,1057 1.338,1058 14.138,1059 7.309,1060 11.263,1061 -1,1062 13.71,1063 -2.344,1064 8.157,1065 10.575,1067 16.064,1068 8.002,1069 12.67,1070 -1,1071 15.464,1072 -2.513,1073 9.405,1074 12.242,1075 1.422,1076 18.407,1077 9.249,1078 2.961,1079 -1.236,1080 17.23,1081 -2.997,1082 10.295,1083 13.483,1085 20.486,1086 10.129,1087 2.806,1088 9.286,1089 19.005,1090 -3,1091 11.44,1092 15.037,1093 1.51,1094 22.751,1095 11.268,1096 2.357,1097 8.663,1098 20.788,1099 4.366,1100 12.421,1101 16.386,1103 24.899,1104 12.238,1105 2.127,1106 6.691,1107 22.577,1108 3.762,1109 13.521,1110 17.889,1111 1.599,1112 27.132,1113 13.329,1114 1.534,1115 5.927,1116 24.37,1117 3.143,1118 14.545,1119 19.295,1121 29.314,1122 14.342,1123 1.293,1124 4.219,1125 26.167,1126 2.887,1127 15.626,1128 20.776,1129 1.69,1130 31.534,1131 15.413,1132 1.072,1133 3.345,1134 27.967,1135 2.301,1136 16.673,1137 22.211,1139 33.732,1140 16.447,1141 3401,1142 6345,1143 14.216,1144 21.375,1145 31.711,1146 32.465,1147 31.903,1148 31.424,1149 31.237,1150 44.127,1151 2.117,1152 87.891,1153 30.049,1154 5.253,1155 5.573,1156 5.713,1157 4.974,1158 4.961,1159 7.366,1160 2.117,1161 15.612,1162 4.909,1163 7.375,1164 1.51,1165 1.546,1166 1.519,1167 1.496,1168 1.487,1169 2.101,1170 0.101,1171 4.185,1172 1.431,1173 4.099,1174 4.141,1175 4.067,1176 3.991,1177 7.429,1178 4.002,1179 3.912,1180 3.933,1181 3.989,1182 3.854,1183 5.096,1184 3.849,1185 3.469,1186 3.529,1187 3.535,1188 3.25,1189 4.93,1190 3.282,1191 3.176,1192 3.205,1193 3.27,1194 3.016,1195 4.443,1196 3.028,1197 2.934,1198 2.993,1199 2.93,1200 2.806,1201 4.269,1202 2.801,1203 2.854,1204 2.925,1205 2.785,1206 2.735,1207 3.819,1208 2.715,1209 2.622,1210 2.68,1211 2.687,1212 2.397,1213 3.674,1214 2.416,1215 2.279,1216 2.391,1217 2.233,1218 2.053,1219 3.573,1220 2.057,1221 0.211,1222 0.17,1223 0.295,1224 0.188,1225 0.141,1226 4.43,1227 0.208,1228 3.573,1229 0.05,1230 6.201,1231 0.442,1232 3.944,1233 0.139,1234 2.961,1235 4.366,1236 1.058,1237 9.286,1238 2.909,1239 1.947,1240 1.924,1241 2.027,1242 2.043,1243 1.154,1244 2.04,1245 1.877,1246 1.858,1247 1.963,1248 1.949,1249 1.066,1250 1.959,1251 1.313,1252 1.231,1253 1.465,1254 1.647,1255 0.409,1256 1.597,1257 1.226,1258 1.198,1259 1.327,1260 1.46,1261 0.362,1262 1.425,1263 0.931,1264 0.893,1265 1.181,1266 1.112,1267 0.218,1268 1.121,1269 0.886,1270 0.821,1271 1.099,1272 1.062,1273 0.147,1274 1.107,1275 0.703,1276 0.623,1277 0.966,1278 0.918,1280 0.944,1281 0.447,1282 0.403,1283 0.743,1284 0.703,1286 0.732,1287 3.761,1289 5.069,1290 2.398,1291 6.564,1292 4.595,1293 8.141,1294 6.581,1295 9.759,1298 5.787,1305 2.836,1314 20.714,1315 49.604,1316 95.23,1317 117.23,1318 132.881,1319 132.881,1320 132.881,1321 24.679,1322 6.509,1323 57.78,1324 57.78,1325 17,1326 12.01,1327 4.17,1328 3.322,1329 27.969,1330 59,1331 56,1332 0.236,1333 132.176,1334 216.86,1335 314.269,1336 5194,1337 3.4,1338 13.242,1339 0.697,1340 0.558,1341 13.742,1342 10.608,1343 9.22,1344 0.439,1345 0.291,1346 5.691,1347 8.642,1348 5.551,1349 4.598,1350 9.509,1351 6.101,1352 8.363,1353 0.288,1354 0.158,1355 8.771,1356 4.569,1357 6.969,1358 0.188,1359 0.083,1360 7.257,1361 3.056,1362 5.587,1363 0.121,1364 0.042,1365 5.754,1366 1.951,1367 4.249,1368 0.079,1369 0.024,1370 4.463,1371 1.282,1372 0.368,1373 60.437,1374 0.265,1375 19.146,1376 0.647,1377 100,1378 308.25,1379 122.896,1380 334.051,1381 445.31,1382 310,1383 116,1384 305.852,1385 133.33,1386 321.254,1387 463.51,1388 302,1389 5.1}
{0 CHEMBL1973860,1 1.593,2 8.526,3 2.577,4 6.639,5 81.244,6 8.193,7 0.762,8 3.605,9 3.707,10 3.316,11 3.267,12 4.723,13 3.206,14 4.076,15 4.216,16 3.594,17 3.634,18 5.144,19 3.547,20 4.272,21 4.477,22 3.507,23 3.662,24 5.278,25 3.556,26 4.236,27 4.449,28 3.456,29 3.614,30 5.202,31 3.486,32 4.19,33 4.417,34 3.365,35 3.53,36 5.156,37 3.377,38 4.011,39 4.225,40 3.224,41 3.365,42 4.969,43 3.219,44 3.901,45 4.118,46 3.096,47 3.211,48 4.878,49 3.055,50 3.764,51 4.004,52 2.915,53 2.931,54 4.74,55 2.782,56 0.032,57 0.457,58 6.459,59 3.082,60 7.33,61 3.663,62 0.111,63 0.749,64 12.882,65 5.335,66 13.778,67 6.239,68 0.177,69 0.879,70 15.759,71 6.283,72 22.118,73 8.092,74 0.102,75 0.849,76 14.871,77 6.16,78 18.121,79 8.012,80 0.154,81 0.816,82 16.978,83 6.471,84 21.749,85 8.101,86 0.079,87 0.661,88 13.445,89 5.433,90 14.077,91 6.721,92 0.067,93 0.594,94 12.357,95 4.9,96 13.705,97 5.979,98 0.118,99 0.547,100 12.238,101 3.858,102 14.83,103 4.755,104 5,105 28,106 0.294,107 0.653,108 0.831,109 0.907,110 0.907,111 0.907,112 3.01,113 1.012,114 -3.77,115 -3.74,116 -3.55,119 45.5,125 2,142 5,143 4,145 1,147 1,151 2,172 9,175 2,178 1,180 1,183 13,188 2,192 1,193 1,196 10,200 2,205 2,208 7,213 1,216 1,218 3,221 4,225 1,230 3,233 2,238 1,243 3,250 1,255 3,269 2,276 422,277 13.301,278 13.301,279 13.301,280 13.301,281 13.301,282 11.503,283 7.215,284 8.176,285 13.679,286 10.374,287 10.374,288 10.374,289 10.374,290 10.374,291 7.679,292 11.409,293 3.871,294 10.956,295 3.452,296 1.503,297 0.534,298 0.121,299 0.121,300 0.121,301 3.695,304 1,305 1,306 1,307 350,308 2.345,311 46.816,312 89.205,316 76.127,319 1.396,320 10.926,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 40,332 162,333 4.474,334 3.033,335 6.304,336 4.013,337 3.021,338 4.397,339 0.4,340 9.639,341 2.997,342 4.107,343 2.745,344 6.013,345 3.69,346 2.714,347 3.717,349 8.639,350 2.651,351 3.634,352 2.416,353 5.256,354 3.223,355 2.279,356 3.05,358 6.668,359 2.146,360 3.259,361 1.805,362 4.543,363 2.712,364 1.782,365 2.615,367 4.708,368 1.653,369 3.056,370 1.732,371 4.345,372 2.553,373 1.573,374 2.323,376 4.184,377 1.535,378 2.509,379 1.56,380 3.468,381 2.338,382 1.411,383 1.51,385 2.667,386 1.301,387 2.394,388 0.99,389 3.328,390 1.859,391 0.95,392 1.356,394 2.155,395 0.846,396 2.163,397 0.818,398 3.226,399 1.624,400 0.691,401 1.007,403 1.652,404 0.635,405 2.118,406 0.618,407 3,408 1.496,409 0.618,410 0.927,412 1.372,413 0.529,414 1.434,415 0.617,416 2.618,417 1.185,418 0.287,419 0.317,421 0.486,422 0.256,423 1.022,424 -0.239,425 2.453,426 0.558,427 -0.392,428 -0.512,430 -0.844,431 -0.368,432 0.918,433 -0.458,434 2.263,435 0.485,436 -0.48,437 -0.672,439 -1.322,440 -0.464,441 0.431,442 -0.851,443 2.088,444 -0.034,445 -1,446 -1.21,448 -2.152,449 -0.95,450 0.2,451 -1.069,452 1.763,453 -0.15,454 -1.09,455 -1.531,457 -2.974,458 -1.013,459 0.015,460 -1.27,461 1.283,462 -0.393,463 -1.317,464 -1.686,466 -3.388,467 -1.156,468 9.467,469 0.498,470 0.307,471 0.016,472 26.25,473 1.382,474 14.5,475 0.763,476 11.75,477 0.618,478 12.103,479 0.637,480 19.333,481 0.586,482 15.701,483 0.826,484 5.113,485 0.269,486 4.252,487 0.224,488 0.035,490 0.264,496 0.991,497 0.986,498 0.748,499 0.779,500 0.997,501 0.793,502 1.016,503 0.95,504 1.052,505 0.959,506 0.945,507 0.934,508 0.86,509 0.908,510 0.818,511 0.809,512 0.81,513 0.93,514 0.807,515 0.983,516 0.784,517 0.847,518 0.745,519 0.994,520 0.672,521 0.931,522 0.999,523 0.978,524 0.58,525 0.995,526 0.889,527 1.014,528 0.937,529 0.996,530 0.893,531 1.029,532 0.959,533 1.164,534 0.995,535 1.091,536 0.947,537 1.099,538 1.251,539 1.229,540 1.072,541 1.156,542 1.192,543 1.072,544 3,545 0.02,546 1.778,547 0.528,548 0.877,549 0.438,550 0.283,551 0.158,552 0.074,553 0.04,554 3362,555 9620,556 2.145,557 42.4,559 9,560 2,561 1,562 2,567 1.602,568 2.073,569 3.107,570 0.341,572 1,574 1,577 52.559,578 1.593,579 3.541,580 4.511,581 4.923,582 4.923,583 4.923,584 2.55,585 3.932,586 4.214,587 3.201,588 547.397,589 7.175,590 5331.39,591 1,592 1,594 1,595 166.465,596 1.105,597 4.207,598 0.143,599 0.005,600 0.063,601 0.02,602 0.038,603 0.022,604 0.017,605 0.011,606 0.007,607 0.007,608 0.334,609 0.67,610 1,611 1.118,612 82.393,613 -0.116,614 0.04,615 0.045,616 0.111,617 -0.156,618 0.074,619 -0.108,620 0.087,621 -0.141,622 -0.013,623 -0.115,624 -0.035,625 -0.007,626 0.069,627 -0.055,628 0.032,629 -0.034,630 -0.001,631 -0.076,632 -0.018,633 -0.009,634 0.005,635 -0.089,636 -0.049,637 0.091,638 0.05,639 -0.025,640 -0.005,641 0.106,642 -0.009,643 -0.028,644 -0.077,646 -0.035,647 -0.01,648 -0.045,649 -0.011,650 -0.22,651 -0.007,652 -0.11,653 0.022,654 -0.115,655 -0.019,656 -0.214,657 0.021,658 -0.158,659 -0.036,660 -0.102,661 1.394,662 2.821,663 0.789,664 14.476,665 0.997,666 1.11,667 2.542,668 6.462,669 0.718,670 3.091,671 3.367,672 3.638,673 3.892,674 4.094,675 4.19,676 4.304,677 4.407,678 4.466,679 4.29,680 5.015,681 0.67,682 270.38,683 3.091,684 4.595,685 5.434,686 6.293,687 7.154,688 8.023,689 8.892,690 9.766,691 10.639,692 11.516,693 6.1,698 1,703 1,708 2,709 8,710 1,713 1,714 3,716 16,728 1,735 33,737 16,738 1,739 21,741 35,742 15,743 13,744 3,745 3,748 3,749 4,754 1,762 13,763 2,779 1,780 1,783 14,784 3,785 2,786 4,787 1,792 2,797 0.667,798 1,799 1,809 1,815 1,816 2,820 1,841 1,843 2,845 1,851 19,857 1,858 2,860 1,869 1,874 3,875 1,881 9.167,882 5.733,883 4.306,884 1.863,886 3.068,887 1.463,888 0.992,889 3.645,890 9.698,891 3.401,892 4.021,893 4.665,894 5.299,895 5.851,896 6.262,897 6.723,898 7.174,899 7.582,900 7.634,901 0.833,902 26,903 6.98,905 2.905,906 7.64,907 13.519,909 11.036,911 2.14,912 40.667,913 0.001,916 141.253,917 118.955,918 34.796,920 42.683,922 31.278,923 87.678,924 183.937,925 34.796,927 2.106,928 105.363,929 46.567,930 20.564,931 25.87,932 137.218,934 141.253,935 122.474,936 42.683,937 31.278,939 141.253,941 42.683,943 11.153,944 76.524,945 34.796,946 31.278,947 141.253,948 77.48,949 118.955,952 141.253,953 47.228,954 71.727,955 18.011,956 59.469,957 141.253,958 77.48,959 118.955,961 0.561,962 0.326,963 0.179,964 0.097,965 14,966 5,967 0.114,968 4,969 1,970 1.133,971 3.255,972 138.02,973 0.133,974 15,975 80.711,977 1,981 12.425,982 5.574,983 2.71,984 2.271,985 77.48,986 16.597,987 4.317,990 1.702,991 3.255,993 60.694,994 337.688,995 29,1007 32.909,1008 36.617,1009 0.316,1010 0.702,1011 0.894,1012 0.976,1013 0.976,1014 0.976,1015 4.585,1016 0.691,1017 5.38,1018 2.155,1019 4.043,1020 4.705,1021 0.278,1022 6.146,1023 3.96,1024 5.781,1025 0.618,1026 6.901,1027 1.652,1028 3.434,1029 4.407,1031 6.934,1032 3.397,1033 7.075,1034 0.287,1035 8.524,1036 1.372,1037 5.58,1038 6.965,1039 0.05,1040 10.029,1041 5.462,1042 8.413,1043 -0.392,1044 10.209,1045 0.486,1046 5.861,1047 7.578,1049 11.664,1050 5.782,1051 9.786,1052 -0.48,1053 11.934,1054 -0.844,1055 7.396,1056 9.515,1057 0.008,1058 14.227,1059 7.266,1060 11.183,1061 -1,1062 13.686,1063 -1.322,1064 8.095,1065 10.56,1067 16.201,1068 7.99,1069 12.598,1070 -1.09,1071 15.455,1072 -2.152,1073 9.373,1074 12.234,1075 0.001,1076 18.573,1077 9.237,1078 3.021,1079 -1.317,1080 17.237,1081 -2.974,1082 10.274,1083 13.495,1085 20.696,1086 10.152,1087 2.714,1088 9.639,1089 19.029,1090 -3.388,1091 11.44,1092 15.054,1094 22.992,1095 11.299,1096 2.279,1097 8.639,1098 20.828,1099 4.397,1100 12.438,1101 16.422,1103 25.182,1104 12.302,1105 1.782,1106 6.668,1107 22.632,1108 3.717,1109 13.558,1110 17.93,1112 27.449,1113 13.41,1114 1.573,1115 4.708,1116 24.441,1117 3.05,1118 14.604,1119 19.352,1121 29.67,1122 14.455,1123 1.411,1124 4.184,1125 26.253,1126 2.615,1127 15.705,1128 20.839,1130 31.927,1131 15.547,1132 0.95,1133 2.667,1134 28.068,1135 2.323,1136 16.774,1137 22.288,1139 34.164,1140 16.613,1141 3284,1142 5618,1143 14.504,1144 23.682,1145 30.677,1146 31.085,1147 30.964,1148 30.528,1149 30.651,1150 42.441,1151 0.8,1152 84.341,1153 29.097,1154 5.258,1155 5.033,1156 6.167,1157 5.069,1158 5.021,1159 7.397,1160 0.8,1161 16.099,1162 4.997,1163 5.642,1164 1.461,1165 1.48,1166 1.474,1167 1.454,1168 1.46,1169 2.021,1170 0.038,1171 4.016,1172 1.386,1173 4.098,1174 4.121,1175 4.224,1176 4.064,1177 6.456,1178 4.05,1179 3.808,1180 3.823,1181 3.997,1182 3.829,1183 4.988,1184 3.761,1185 3.577,1186 3.639,1187 3.485,1188 3.387,1189 4.682,1190 3.39,1191 3.307,1192 3.355,1193 3.244,1194 3.17,1195 4.369,1196 3.159,1197 3.024,1198 3.076,1199 2.944,1200 2.934,1201 3.996,1202 2.919,1203 2.804,1204 2.883,1205 2.711,1206 2.559,1207 3.797,1208 2.568,1209 2.527,1210 2.61,1211 2.553,1212 2.371,1213 3.411,1214 2.348,1215 2.44,1216 2.529,1217 2.351,1218 2.362,1219 3.242,1220 2.276,1221 0.213,1222 0.144,1223 0.3,1224 0.191,1225 0.144,1226 4.474,1227 0.209,1228 3.033,1229 0.019,1230 6.304,1231 0.459,1232 4.013,1233 0.143,1234 3.021,1235 4.397,1236 0.4,1237 9.639,1238 2.997,1239 2.056,1240 2.036,1241 2.126,1242 2.128,1243 1.267,1244 2.129,1245 1.605,1246 1.564,1247 1.794,1248 1.804,1249 1.005,1250 1.805,1251 1.467,1252 1.413,1253 1.647,1254 1.623,1255 0.776,1256 1.632,1257 1.32,1258 1.323,1259 1.422,1260 1.398,1261 0.561,1262 1.443,1263 1.185,1264 1.144,1265 1.267,1266 1.268,1267 0.456,1268 1.341,1269 0.979,1270 0.928,1271 1.149,1272 1.129,1273 0.244,1274 1.161,1275 0.718,1276 0.639,1277 1.066,1278 1.07,1279 0.135,1280 1.074,1281 0.444,1282 0.348,1283 0.858,1284 0.729,1286 0.776,1287 3.761,1289 5.043,1290 2.398,1291 6.529,1292 4.443,1293 8.116,1294 6.293,1295 9.758,1302 8.821,1303 0.622,1305 3.082,1314 22.106,1315 52.559,1316 116.855,1317 148.855,1318 162.465,1319 162.465,1320 162.465,1321 20.615,1322 6.629,1323 45.15,1324 73.39,1325 17,1326 12.055,1327 4.087,1328 3.17,1329 27.849,1330 56,1331 66,1332 0.249,1333 140.699,1334 229.1,1335 335.066,1336 5742,1338 13.079,1339 0.688,1340 0.587,1341 13.433,1342 11.152,1343 9.365,1344 0.446,1345 0.337,1346 6.163,1347 8.639,1348 5.942,1349 4.92,1350 9.865,1351 7.081,1352 7.959,1353 0.284,1354 0.181,1355 8.457,1356 5.074,1357 6.795,1358 0.184,1359 0.099,1360 7.309,1361 3.677,1362 5.639,1363 0.117,1364 0.056,1365 6.236,1366 2.695,1367 4.401,1368 0.075,1369 0.028,1370 4.727,1371 1.63,1372 0.383,1373 62.802,1374 0.263,1375 19.033,1376 0.698,1377 98,1378 258.988,1379 121.878,1380 277.39,1381 381.71,1382 262,1383 114,1384 262.727,1385 133.582,1386 283.702,1387 410.83,1388 267,1389 5.1}
{0 CHEMBL1973893,1 1.735,2 11.577,3 2.908,4 8.455,5 102.713,6 8.098,7 0.571,8 3.931,9 4.041,10 3.717,11 3.506,12 5.033,13 3.464,14 4.454,15 4.605,16 3.973,17 3.872,18 5.787,19 3.816,20 4.69,21 4.882,22 3.969,23 3.971,24 5.851,25 3.89,26 4.689,27 4.892,28 3.934,29 3.953,30 5.889,31 3.863,32 4.656,33 4.856,34 3.794,35 3.872,36 5.892,37 3.793,38 4.539,39 4.752,40 3.634,41 3.778,42 5.638,43 3.677,44 4.452,45 4.691,46 3.554,47 3.663,48 5.471,49 3.54,50 4.358,51 4.6,52 3.46,53 3.534,54 5.453,55 3.404,56 0.133,57 0.725,58 11.462,59 4.404,60 18.017,61 5.158,62 0.382,63 1.111,64 19.694,65 7.637,66 58.734,67 9.329,68 0.474,69 1.302,70 26.417,71 9.028,72 74.554,73 10.822,74 0.425,75 1.298,76 28.997,77 9.498,78 58.699,79 11.497,80 0.495,81 1.173,82 25.369,83 8.669,84 76.919,85 10.676,86 0.306,87 1.069,88 20.44,89 7.813,90 50.059,91 10.301,92 0.247,93 1.002,94 19.863,95 7.121,96 32.213,97 9.658,98 0.251,99 0.879,100 20.823,101 6.974,102 34.062,103 8.909,104 36,105 40,106 0.295,107 0.639,108 0.777,109 0.842,110 0.852,111 0.852,112 3.304,113 1.06,114 -3.84,115 -3.8,116 -3.61,119 39.1,120 2,121 1,125 1,142 7,143 3,144 1,147 1,152 1,158 1,168 1,172 10,174 1,175 2,178 4,180 6,183 12,188 4,192 1,193 6,196 12,199 1,200 10,205 5,208 9,213 6,216 1,218 5,221 7,225 6,230 6,233 6,238 6,243 6,246 5,250 6,258 4,264 6,267 1,268 2,272 5,276 1006,277 17.11,278 17.11,279 17.11,280 17.11,281 17.11,282 14.775,283 12.295,284 10.029,285 17.369,286 13.807,287 13.807,288 13.807,289 13.807,290 13.807,291 10.163,292 13.234,293 4.674,294 14.235,295 3.788,296 1.767,297 0.955,298 0.571,299 0.511,300 0.511,301 3.981,304 1,305 1,306 1,307 631,308 4,311 65.697,312 157.402,315 114.45,319 1.917,320 31.429,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 57,332 301,333 4.697,334 4.458,335 6.74,336 4.147,337 3.216,338 4.52,339 1.907,340 11.041,341 3.064,342 4.572,343 3.543,344 6.571,345 4.1,346 3.123,347 4.488,348 0.149,349 10.457,350 2.962,351 4.153,352 3.108,353 6.1,354 3.757,355 2.77,356 3.774,358 8.91,359 2.729,360 3.701,361 2.792,362 5.266,363 3.295,364 2.315,365 3.133,367 6.696,368 2.262,369 3.579,370 2.447,371 5.208,372 3.199,373 2.21,374 2.854,376 6.325,377 2.175,378 3.224,379 2.016,380 4.529,381 2.749,382 1.758,383 2.462,385 4.602,386 1.73,387 2.975,388 1.549,389 4.388,390 2.486,391 1.503,392 2.193,394 4.254,395 1.475,396 2.656,397 1.272,398 4.014,399 2.164,400 1.183,401 1.723,403 3.181,404 1.157,405 2.5,406 1.211,407 3.593,408 2.109,409 1.116,410 1.5,412 2.275,413 1.105,414 2.182,415 1,416 3.414,417 2,418 1,419 1.158,421 1.903,422 1,423 2.138,424 0.824,425 3.244,426 1.669,427 0.685,428 0.975,430 1.635,431 0.672,432 1.365,433 0.53,434 2.924,435 1.028,436 0.061,437 0.075,439 0.158,440 0.059,441 1.091,442 0.469,443 2.603,444 0.712,445 -0.254,446 -0.312,448 -0.655,449 -0.243,450 1,451 0.08,452 2.469,453 0.417,454 -0.519,455 -0.566,457 -0.855,458 -0.47,459 0.753,460 -0.087,461 2.154,462 0.323,463 -0.669,464 -0.871,466 -1.937,467 -0.661,468 12.433,469 0.478,470 0.796,471 0.031,472 35.5,473 1.365,474 19.5,475 0.75,476 16,477 0.615,478 19.454,479 0.748,480 28.367,481 0.617,482 26.598,483 1.023,484 6.721,485 0.258,486 5.656,487 0.218,488 0.161,489 0.067,490 0.282,496 0.548,497 1.215,498 0.826,499 1.189,500 0.631,501 0.93,502 0.49,503 1.188,504 0.955,505 1.136,506 0.495,507 0.99,508 1.263,509 0.985,510 1.08,511 0.924,512 1.232,513 0.953,514 1.018,515 1.057,516 1.207,517 1.123,518 0.876,519 0.996,520 1.29,521 0.915,522 1.026,523 0.916,524 1.339,525 0.984,526 0.925,527 1.08,528 0.825,529 0.948,530 0.916,531 1.092,532 0.697,533 1.088,534 0.814,535 0.954,536 0.544,537 1.052,538 0.828,539 1.027,540 1.008,541 1.069,542 0.696,543 1.009,544 7,545 0.215,546 3.111,547 1.854,548 1.231,549 0.955,550 0.555,551 0.396,552 0.293,553 0.155,554 7901,555 25047,556 2.005,557 43.5,558 3,559 9,562 3,563 3,564 2,567 1.687,568 1.846,569 3.474,570 1.012,571 1,572 1,577 79.832,578 1.735,579 3.757,580 4.569,581 4.953,582 5.012,583 5.012,584 2.93,585 4.027,586 4.668,587 3.652,588 1186.99,589 8.073,590 15079.6,592 1,594 1,595 254.084,596 1.648,597 4.606,598 0.25,599 0.013,600 0.078,601 0.049,602 0.033,603 0.029,604 0.02,605 0.016,606 0.014,607 0.008,608 0.511,609 0.33,610 1,611 1.569,612 128.583,613 0.087,614 0.02,615 0.202,616 -0.025,617 -0.126,618 0.05,619 0.314,620 -0.076,621 0.019,622 -0.07,623 0.255,624 -0.013,625 -0.222,626 0.046,627 -0.105,628 0.066,629 -0.189,631 -0.098,632 -0.016,633 -0.122,634 -0.057,635 0.003,636 -0.011,637 -0.182,638 0.044,639 -0.134,640 0.014,641 -0.146,642 -0.027,643 -0.102,644 -0.14,645 -0.064,646 -0.072,647 -0.09,648 -0.109,649 -0.025,650 -0.119,651 0.035,652 -0.048,653 0.004,654 -0.056,655 -0.024,656 -0.074,657 0.035,658 -0.047,659 0.058,660 0.011,661 4.22,662 4.841,663 0.577,664 26.592,665 1.012,666 1.127,667 2.609,668 6.805,669 0.677,670 3.367,671 3.714,672 3.912,673 4.19,674 4.369,675 4.477,676 4.654,677 4.762,678 4.779,679 4.883,680 6.729,681 0.644,682 372.49,683 3.367,684 4.92,685 5.753,686 6.645,687 7.499,688 8.395,689 9.26,690 10.157,691 11.028,692 11.925,693 8.7,698 1,700 1,701 1,703 1,708 2,709 7,710 1,711 1,714 4,716 16,735 46,737 19,738 2,739 28,741 48,742 18,743 13,744 5,745 7,748 3,749 4,754 2,760 1,762 14,763 4,767 3,770 1,772 3,776 1,779 1,780 1,783 20,784 6,785 3,786 8,787 1,792 4,797 0.667,798 3,807 1,815 1,816 2,819 1,829 1,843 2,845 1,847 2,851 26,855 1,858 2,860 2,874 6.5,877 3,881 14.083,882 8.7,883 5.667,884 2.76,886 3.381,887 1.462,888 0.999,889 5.302,890 10.692,891 3.689,892 4.353,893 4.851,894 5.493,895 6.034,896 6.427,897 6.942,898 7.394,899 7.665,900 8.086,901 0.875,902 38,903 9.764,905 4.318,906 8.003,907 18.072,909 14.841,911 2.503,912 65.083,915 1,916 200.109,917 114.103,918 67.742,920 69.458,922 5.807,923 108.296,924 269.567,925 67.742,926 17.65,927 21.445,928 72.141,929 107.231,930 28.364,931 4.472,932 200.109,934 200.109,935 176.038,936 69.458,937 5.807,939 176.567,940 93,943 55.758,944 87.211,945 38.875,947 200.109,948 137.2,949 114.103,951 5.807,952 200.109,953 24.312,954 83.984,955 51.079,956 86.121,957 200.109,958 137.2,959 114.103,961 0.584,962 0.316,963 0.174,964 0.09,965 19,966 9,967 0.125,968 6,969 1,970 1.133,971 3.754,972 212.119,973 0.133,974 15,975 116.211,980 1,981 18.428,982 7.481,983 4.442,984 1.631,985 120.537,986 12.926,987 4.108,988 2.878,991 2.887,993 51.079,994 451.412,995 39,998 -3.303,1000 34.969,1004 -0.187,1007 46.534,1008 51.863,1009 0.314,1010 0.68,1011 0.827,1012 0.897,1013 0.907,1014 0.907,1015 4.927,1016 1.183,1017 5.784,1018 4.254,1019 4.394,1020 5.04,1021 1.953,1022 6.624,1023 4.336,1024 6.188,1025 1.116,1026 7.366,1027 3.181,1028 4.205,1029 5.19,1030 1.593,1031 7.781,1032 4.09,1033 7.55,1034 1,1035 9.053,1036 2.275,1037 6.071,1038 7.404,1039 2.904,1040 10.751,1041 5.932,1042 8.951,1043 0.685,1044 10.802,1045 1.903,1046 6.648,1047 8.328,1048 3.032,1049 12.675,1050 6.44,1051 10.383,1052 0.061,1053 12.59,1054 1.635,1055 8.054,1056 10.092,1057 4.037,1058 15.229,1059 7.822,1060 11.836,1061 -0.254,1062 14.403,1063 0.158,1064 8.955,1065 11.338,1066 4.409,1067 17.433,1068 8.652,1069 13.306,1070 -0.519,1071 16.235,1072 -0.655,1073 10.193,1074 12.941,1075 5.25,1076 19.862,1077 9.858,1078 3.216,1079 -0.669,1080 18.08,1081 -0.855,1082 11.233,1083 14.327,1084 5.75,1085 22.172,1086 10.832,1087 3.123,1088 11.041,1089 19.934,1090 -1.937,1091 12.41,1092 15.866,1093 6.501,1094 24.562,1095 11.97,1096 2.77,1097 10.457,1098 21.796,1099 4.52,1100 13.511,1101 17.315,1102 7.068,1103 26.913,1104 13.01,1105 2.315,1106 8.91,1107 23.664,1108 4.488,1109 14.667,1110 18.83,1111 7.771,1112 29.294,1113 14.121,1114 2.21,1115 6.696,1116 25.537,1117 3.774,1118 15.795,1119 20.307,1120 8.374,1121 31.662,1122 15.192,1123 1.758,1124 6.325,1125 27.413,1126 3.133,1127 16.946,1128 21.813,1129 9.051,1130 34.042,1131 16.294,1132 1.503,1133 4.602,1134 29.293,1135 2.854,1136 18.086,1137 23.303,1138 9.674,1139 36.418,1140 17.38,1141 7864,1142 14126,1143 18.087,1144 31.125,1145 42.107,1146 43.727,1147 43.413,1148 41.919,1149 41.877,1150 57.708,1151 4.112,1152 122.871,1153 40.781,1154 5.537,1155 6.458,1156 6.457,1157 5.167,1158 5.216,1159 7.52,1160 3.306,1161 17.763,1162 5.064,1163 15.127,1164 1.504,1165 1.562,1166 1.55,1167 1.497,1168 1.496,1169 2.061,1170 0.147,1171 4.388,1172 1.456,1173 4.136,1174 4.17,1175 4.723,1176 4.057,1177 7.716,1178 4.052,1179 4.01,1180 4,1181 4.092,1182 3.958,1183 7.43,1184 3.868,1185 3.806,1186 3.819,1187 3.793,1188 3.74,1189 6.999,1190 3.703,1191 3.554,1192 3.6,1193 3.468,1194 3.334,1195 5.083,1196 3.357,1197 3.405,1198 3.465,1199 3.249,1200 3.235,1201 4.746,1202 3.201,1203 3.279,1204 3.336,1205 3.206,1206 3.106,1207 4.332,1208 3.107,1209 2.966,1210 3.035,1211 2.853,1212 2.844,1213 4.076,1214 2.836,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.974,1220 2.715,1221 0.168,1222 0.159,1223 0.241,1224 0.148,1225 0.115,1226 4.697,1227 0.161,1228 4.458,1229 0.068,1230 6.74,1231 0.394,1232 4.147,1233 0.109,1234 3.216,1235 4.52,1236 1.907,1237 11.041,1238 3.064,1239 2.014,1240 1.996,1241 2.087,1242 2.082,1243 1.278,1244 2.095,1245 1.847,1246 1.848,1247 1.914,1248 1.958,1249 1.223,1250 1.999,1251 1.721,1252 1.706,1253 1.88,1254 1.836,1255 1.005,1256 1.861,1257 1.513,1258 1.456,1259 1.729,1260 1.803,1261 0.732,1262 1.77,1263 1.336,1264 1.297,1265 1.417,1266 1.567,1267 0.694,1268 1.602,1269 1.239,1270 1.163,1271 1.378,1272 1.522,1273 0.407,1274 1.517,1275 1.027,1276 0.989,1277 1.204,1278 1.199,1279 0.342,1280 1.212,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.043,1289 5.38,1290 2.398,1291 6.895,1292 4.727,1293 8.491,1294 6.823,1295 10.133,1297 3.256,1303 0.659,1305 5.259,1314 29.632,1315 79.832,1316 172.807,1317 210.168,1318 227.819,1319 230.574,1320 230.574,1321 55.387,1322 7.311,1323 103.95,1324 112.33,1325 17,1326 12.455,1327 4.322,1328 3.585,1329 44.567,1330 105,1331 110,1332 0.211,1333 188.13,1334 317.94,1335 450.797,1336 14069,1338 18.734,1339 0.721,1340 0.59,1341 18.984,1342 15.352,1343 12.376,1344 0.442,1345 0.353,1346 8.285,1347 11.159,1348 7.895,1349 6.615,1350 13.23,1351 9.896,1352 11.863,1353 0.297,1354 0.196,1355 13.172,1356 7.854,1357 8.703,1358 0.178,1359 0.108,1360 9.587,1361 5.314,1362 7.63,1363 0.117,1364 0.059,1365 8.513,1366 3.82,1367 5.704,1368 0.073,1369 0.028,1370 6.163,1371 2.185,1372 0.335,1373 86.067,1374 0.235,1375 25.305,1376 0.566,1377 136,1378 430.711,1379 183.333,1380 438.822,1381 588.84,1382 402,1383 157,1384 408.759,1385 211.159,1386 446.1,1387 640.71,1388 417,1389 5.1}
{0 CHEMBL1973937,1 1.634,2 11.929,3 4.435,4 19.667,5 114.011,6 9.486,7 0.71,8 3.945,9 4.068,10 3.716,11 3.558,12 5.132,13 3.535,14 4.402,15 4.544,16 4.134,17 3.957,18 5.585,19 3.907,20 4.637,21 4.809,22 4.174,23 4.076,24 5.763,25 4.001,26 4.709,27 4.918,28 4.15,29 4.032,30 5.822,31 3.951,32 4.676,33 4.883,34 3.938,35 3.939,36 5.837,37 3.853,38 4.588,39 4.82,40 3.962,41 3.805,42 5.724,43 3.717,44 4.439,45 4.69,46 3.595,47 3.695,48 5.386,49 3.561,50 4.287,51 4.529,52 3.698,53 3.585,54 5.29,55 3.454,56 0.087,57 0.7,58 6.228,59 3.586,60 10.203,61 4.319,62 0.195,63 1.068,64 11.894,65 6.426,66 19.061,67 8.117,68 0.225,69 1.305,70 24.573,71 8.446,72 30.045,73 10.015,74 0.221,75 1.368,76 26.347,77 9.093,78 31.156,79 11.501,80 0.299,81 1.294,82 27.877,83 8.766,84 45.43,85 10.399,86 0.357,87 1.178,88 24.731,89 7.806,90 51.076,91 9.689,92 0.207,93 0.998,94 23.419,95 7.647,96 30.092,97 9.987,98 0.173,99 0.856,100 17.759,101 6.894,102 21.535,103 9.121,104 17,105 44,106 0.276,107 0.606,108 0.728,109 0.842,110 0.87,111 0.877,112 3.374,113 0.917,114 -5.26,115 -5.15,116 -4.81,117 1,119 45.7,120 1,142 10,143 4,144 3,146 1,153 1,159 1,163 1,164 1,165 1,168 1,172 12,175 2,178 2,179 2,180 6,182 1,183 18,185 1,188 3,190 1,191 1,193 6,196 15,198 1,200 6,205 14,208 9,210 3,213 5,218 10,221 5,223 4,225 5,230 9,233 8,235 2,238 1,243 2,246 8,250 2,253 1,254 2,255 3,257 1,258 8,264 1,269 2,272 7,276 1102,277 18.809,278 18.809,279 18.809,280 18.809,281 18.809,282 15.97,283 18.955,284 10.965,285 19.162,286 15.298,287 15.298,288 15.298,289 15.298,290 15.298,291 11.081,292 24.276,293 5.218,294 15.915,295 3.889,296 1.931,297 1.206,298 0.527,299 0.364,300 0.321,301 4.07,305 1,306 1,307 730,308 3.082,311 64.82,312 273.212,315 121.988,319 1.944,320 20.502,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 59.25,332 334,333 4.713,334 3.563,335 6.958,336 4.261,337 3.274,338 4.692,339 1.656,340 11.747,341 3.23,342 4.118,343 3.308,344 6.031,345 3.724,346 2.756,347 3.72,348 0.247,349 8.549,350 2.678,351 4.055,352 2.936,353 5.624,354 3.628,355 2.662,356 3.657,358 7.796,359 2.553,360 3.783,361 2.721,362 5.489,363 3.405,364 2.442,365 3.182,367 7.171,368 2.341,369 3.634,370 2.459,371 5.373,372 3.218,373 2.248,374 3.036,376 6.624,377 2.176,378 3.475,379 2.341,380 4.902,381 3.04,382 2.1,383 2.758,385 5.714,386 1.959,387 3.169,388 2.278,389 4.562,390 2.691,391 1.751,392 2.385,394 4.713,395 1.544,396 2.953,397 1.539,398 4.422,399 2.461,400 1.474,401 2.144,403 4.133,404 1.439,405 2.719,406 1.428,407 4.255,408 2.264,409 1.303,410 1.808,412 3.601,413 1.248,414 2.658,415 1.274,416 3.607,417 2.161,418 1.18,419 1.728,421 2.587,422 1.122,423 2.5,424 1,425 3.479,426 2,427 1,428 1.5,430 2.275,431 1,432 2.317,433 0.915,434 3.414,435 1.845,436 0.864,437 1.237,439 2.14,440 0.846,441 1.465,442 0.663,443 2.982,444 1.151,445 0.178,446 0.215,448 0.446,449 0.172,450 1.197,451 0.347,452 2.786,453 0.879,454 -0.088,455 -0.108,457 -0.228,458 -0.085,459 1.135,460 0.18,461 2.422,462 0.706,463 -0.299,464 -0.397,466 -0.701,467 -0.211,468 14.167,469 0.506,470 0.75,471 0.027,472 40.5,473 1.446,474 23,475 0.821,476 17.5,477 0.625,478 21.176,479 0.756,480 27.833,481 0.605,482 28.712,483 1.025,484 7.942,485 0.284,486 5.566,487 0.199,488 0.181,490 0.353,496 0.847,497 0.945,498 0.497,499 0.671,500 0.765,501 0.716,502 0.457,503 1.028,504 0.57,505 0.827,506 0.486,507 0.867,508 1.087,509 1.105,510 0.976,511 1.031,512 1,513 1.047,514 0.936,515 1.187,516 0.696,517 1.016,518 0.801,519 1.024,520 1.467,521 1.131,522 0.826,523 1.037,524 1.541,525 1.095,526 1.212,527 1.006,528 0.556,529 0.902,530 1.425,531 0.975,532 0.822,533 0.927,534 0.662,535 0.893,536 0.787,537 0.986,538 0.478,539 0.869,540 0.622,541 0.89,542 0.562,543 0.954,544 6,545 0.143,546 3.111,547 2.25,548 1.604,549 0.959,550 0.532,551 0.293,552 0.24,553 0.203,554 10800,555 32138,556 2.094,557 39.1,558 3,559 10,562 5,567 1.705,568 1.953,569 3.502,570 2.467,572 1,577 75.177,578 1.634,579 3.593,580 4.317,581 4.996,582 5.159,583 5.203,584 2.918,585 4.039,586 4.78,587 3.726,588 1408.38,589 8.28,590 19168,592 1,594 1,595 254.084,596 1.432,597 4.736,598 0.194,599 0.007,600 0.071,601 0.051,602 0.039,603 0.027,604 0.018,605 0.012,606 0.01,607 0.01,608 0.439,609 0.17,610 1,611 0.573,612 142.501,613 -0.083,614 0.186,615 -0.006,616 0.115,617 -0.151,618 0.093,619 0.278,620 0.026,621 0.032,622 0.023,623 0.14,624 0.009,625 -0.154,626 -0.073,627 -0.097,628 -0.108,629 -0.119,630 -0.137,631 -0.023,632 -0.194,633 0.005,634 -0.117,635 0.061,636 -0.073,637 -0.247,638 -0.142,639 -0.098,640 -0.136,641 -0.135,642 -0.161,643 -0.067,644 -0.022,645 0.058,646 -0.021,647 -0.104,648 -0.017,649 -0.05,650 0.003,651 0.008,652 0.04,653 -0.065,654 0.045,655 0.269,656 0.038,657 0.112,658 0.071,659 0.148,660 0.092,661 1.97,662 5.204,663 0.75,664 27.214,665 1.005,666 1.118,667 4.029,668 16.231,669 0.721,670 3.466,671 3.807,672 4.078,673 4.369,674 4.564,675 4.605,676 4.682,677 4.812,678 4.836,679 4.898,680 7.199,681 0.686,682 436.34,683 3.466,684 5.017,685 5.872,686 6.76,687 7.632,688 8.525,689 9.404,690 10.299,691 11.184,692 12.082,693 10.9,697 1,700 2,701 1,703 1,708 2,709 10,710 1,711 1,714 7,716 22,727 1,734 1,735 46,737 23,738 3,739 31,740 1,741 49,742 21,743 19,744 8,745 10,748 4,749 5,753 1,754 1,762 20,763 1,767 1,772 1,776 1,780 1,783 18,784 5,785 5,786 7,787 1,792 5,797 0.75,798 1,807 1,815 1,816 3,819 1,843 3,846 1,847 1,851 28,852 1,860 2,873 1,874 2.2,877 1,881 14.333,882 8.426,883 6.056,884 2.525,886 4.078,887 1.533,888 1.046,889 5.178,890 11.728,891 3.784,892 4.446,893 5.063,894 5.71,895 6.242,896 6.536,897 6.94,898 7.386,899 7.631,900 7.962,901 0.875,902 44,903 10.275,905 4.372,906 7.747,907 19.48,909 15.934,911 2.247,912 62.917,915 1,916 153.024,917 133.034,918 148.199,920 25.145,923 178.988,924 178.169,925 102.245,926 8.825,927 36.022,928 127.66,929 41.808,930 41.833,931 4.276,932 153.024,933 45.954,934 153.024,935 235.279,936 25.145,938 45.954,939 153.024,940 25.145,943 65.982,944 152.634,945 16.663,946 45.954,947 153.024,948 127.39,949 178.988,952 153.024,953 29.446,954 103.588,955 98.639,956 74.705,957 153.024,958 127.39,959 178.988,961 0.588,962 0.341,963 0.19,964 0.102,965 22,966 10,967 0.061,968 3,969 1,970 1.095,971 4.022,972 241.763,973 0.095,974 21,975 127.851,981 18.689,982 7.757,983 3.973,984 1.777,985 110.727,986 19.092,987 4.288,988 2.851,991 5.907,993 85.582,994 459.402,995 43,1000 12.204,1004 -0.303,1007 46.251,1008 51.449,1009 0.296,1010 0.65,1011 0.782,1012 0.905,1013 0.934,1014 0.942,1015 5.014,1016 1.474,1017 5.866,1018 4.713,1019 4.489,1020 5.133,1021 1.758,1022 6.686,1023 4.419,1024 6.249,1025 1.303,1026 7.43,1027 4.133,1028 4.111,1029 4.997,1030 1.195,1031 7.603,1032 3.983,1033 7.569,1034 1.18,1035 9.091,1036 3.601,1037 6.089,1038 7.406,1039 2.415,1040 10.725,1041 5.97,1042 8.926,1043 1,1044 10.811,1045 2.587,1046 6.509,1047 8.102,1048 2.324,1049 12.523,1050 6.355,1051 10.313,1052 0.864,1053 12.572,1054 2.275,1055 7.976,1056 9.99,1057 3.244,1058 15.185,1059 7.823,1060 11.724,1061 0.178,1062 14.363,1063 2.14,1064 8.777,1065 11.105,1066 3.407,1067 17.372,1068 8.604,1069 13.155,1070 -0.088,1071 16.178,1072 0.446,1073 10.042,1074 12.778,1075 4.156,1076 19.891,1077 9.867,1078 3.274,1079 -0.299,1080 18.013,1081 -0.228,1082 11.032,1083 14.11,1084 4.464,1085 22.243,1086 10.843,1087 2.756,1088 11.747,1089 19.865,1090 -0.701,1091 12.222,1092 15.695,1093 5.111,1094 24.719,1095 12.028,1096 2.662,1097 8.549,1098 21.73,1099 4.692,1100 13.305,1101 17.135,1102 5.504,1103 27.137,1104 13.101,1105 2.442,1106 7.796,1107 23.608,1108 3.72,1109 14.472,1110 18.687,1111 6.091,1112 29.602,1113 14.262,1114 2.248,1115 7.171,1116 25.495,1117 3.657,1118 15.601,1119 20.18,1120 6.531,1121 32.047,1122 15.381,1123 2.1,1124 6.624,1125 27.391,1126 3.182,1127 16.766,1128 21.722,1129 7.083,1130 34.509,1131 16.538,1132 1.751,1133 5.714,1134 29.294,1135 3.036,1136 17.918,1137 23.241,1138 7.551,1139 36.965,1140 17.68,1141 10188,1142 17717,1143 20.69,1144 33.165,1145 47.053,1146 47.619,1147 48.39,1148 46.702,1149 46.467,1150 64.127,1151 3.806,1152 134.992,1153 44.617,1154 5.579,1155 5.563,1156 6.514,1157 5.304,1158 5.274,1159 7.692,1160 2.912,1161 19.119,1162 5.23,1163 13.95,1164 1.518,1165 1.536,1166 1.561,1167 1.507,1168 1.499,1169 2.069,1170 0.123,1171 4.355,1172 1.439,1173 4.14,1174 4.174,1175 6.88,1176 4.059,1177 7.431,1178 4.066,1179 3.919,1180 3.953,1181 4.111,1182 3.86,1183 5.238,1184 3.845,1185 3.846,1186 3.88,1187 3.83,1188 3.768,1189 4.802,1190 3.769,1191 3.464,1192 3.538,1193 3.739,1194 3.26,1195 4.757,1196 3.276,1197 3.416,1198 3.46,1199 3.379,1200 3.173,1201 4.686,1202 3.211,1203 3.143,1204 3.211,1205 3.325,1206 3,1207 4.326,1208 2.997,1209 2.877,1210 2.954,1211 3.02,1212 2.862,1213 4.03,1214 2.792,1215 2.864,1216 2.942,1217 2.725,1218 2.735,1219 3.878,1220 2.715,1221 0.152,1222 0.115,1223 0.224,1224 0.137,1225 0.106,1226 4.713,1227 0.151,1228 3.563,1229 0.053,1230 6.958,1231 0.379,1232 4.261,1233 0.104,1234 3.274,1235 4.692,1236 1.656,1237 11.747,1238 3.23,1239 2.019,1240 2.001,1241 2.093,1242 2.08,1243 1.263,1244 2.085,1245 1.884,1246 1.859,1247 1.963,1248 1.977,1249 1.071,1250 1.982,1251 1.796,1252 1.768,1253 1.911,1254 1.891,1255 1.02,1256 1.9,1257 1.432,1258 1.358,1259 1.603,1260 1.754,1261 0.658,1262 1.708,1263 1.265,1264 1.216,1265 1.438,1266 1.563,1267 0.366,1268 1.523,1269 1.099,1270 1.017,1271 1.367,1272 1.352,1273 0.325,1274 1.386,1275 0.954,1276 0.885,1277 1.181,1278 1.222,1279 0.218,1280 1.207,1281 0.886,1282 0.831,1283 1.123,1284 1.074,1285 0.189,1286 1.107,1287 4.143,1289 5.476,1290 2.398,1291 6.999,1292 4.727,1293 8.61,1294 6.843,1295 10.271,1296 3.385,1297 2.003,1301 6.076,1305 5.636,1314 31.535,1315 75.177,1316 165.281,1317 198.6,1318 229.819,1319 237.329,1320 239.329,1321 40.807,1322 7.65,1323 95.83,1324 95.83,1325 23,1326 12.608,1327 4.585,1328 3.7,1329 42.765,1330 126,1331 106,1332 0.17,1333 200.316,1334 332.85,1335 480.532,1336 23436,1337 2.2,1338 19.673,1339 0.703,1340 0.595,1341 20.673,1342 16.67,1343 13.508,1344 0.436,1345 0.306,1346 8.643,1347 12.571,1348 8.369,1349 6.967,1350 14.085,1351 9.475,1352 12.51,1353 0.284,1354 0.168,1355 13.326,1356 7.373,1357 10.301,1358 0.178,1359 0.086,1360 10.825,1361 4.967,1362 8.938,1363 0.115,1364 0.045,1365 9.475,1366 3.517,1367 7.017,1368 0.074,1369 0.024,1370 7.349,1371 2.279,1372 0.273,1373 92.011,1374 0.22,1375 27.089,1376 0.45,1377 150,1378 412.346,1379 226.883,1380 449.71,1381 612.33,1382 418,1383 177,1384 437.173,1385 215.695,1386 460.098,1387 668.96,1388 433,1389 5.8}
{0 CHEMBL1973961,1 1.654,2 14.611,3 5.009,4 25.088,5 135.444,6 7.803,7 0.55,8 4.257,9 4.377,10 3.86,11 3.776,12 5.402,13 3.775,14 4.8,15 4.975,16 4.231,17 4.174,18 5.931,19 4.161,20 5.035,21 5.225,22 4.292,23 4.334,24 6.147,25 4.287,26 5.157,27 5.385,28 4.276,29 4.34,30 6.331,31 4.258,32 5.125,33 5.367,34 4.165,35 4.266,36 6.202,37 4.19,38 5.007,39 5.225,40 4.179,41 4.2,42 6.121,43 4.154,44 4.966,45 5.164,46 4.19,47 4.172,48 6.138,49 4.137,50 4.983,51 5.211,52 4.072,53 4.1,54 6.109,55 4.05,56 0.11,57 1.086,58 11.93,59 5.667,60 11.18,61 6.991,62 0.408,63 1.736,64 24.014,65 9.132,66 31.498,67 11.704,68 0.525,69 2.128,70 31.527,71 12.244,72 55.572,73 15.37,74 0.862,75 2.245,76 38.837,77 14.275,78 108.289,79 19.506,80 0.733,81 2.011,82 39.454,83 13.603,84 96.358,85 18.083,86 0.687,87 1.84,88 33.265,89 11.203,90 64.173,91 14.804,92 0.617,93 1.876,94 31.194,95 11.218,96 67.965,97 14.061,98 0.65,99 1.803,100 33.211,101 10.6,102 82.698,103 13.921,104 27,105 57,106 0.262,107 0.603,108 0.757,109 0.849,110 0.849,111 0.849,112 3.615,113 0.881,114 -4.83,115 -4.74,116 -4.45,119 42.9,121 1,124 2,125 4,142 9,143 4,144 4,146 1,153 1,158 1,168 1,172 10,175 7,178 1,179 1,180 3,183 15,187 1,188 5,191 1,193 4,196 10,199 2,200 6,203 2,205 7,208 8,212 1,213 5,218 4,221 7,224 1,225 6,228 2,230 4,233 7,237 2,238 8,243 4,246 8,250 4,253 1,258 7,263 2,264 6,267 1,269 2,272 7,276 2506,277 24.298,278 24.298,279 24.298,280 24.298,281 24.298,282 21.576,283 34.471,284 14.074,285 24.923,286 19.701,287 19.701,288 19.701,289 19.701,290 19.701,291 15.424,292 50.483,293 6.65,294 20.614,295 4.323,296 2.176,297 1.207,298 0.627,299 0.627,300 0.627,301 4.32,306 1,307 1152,308 3.464,311 88.44,312 480.016,315 159.659,319 2.367,320 44.206,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 79.5,332 526,333 4.563,334 3.622,335 6.576,336 4.106,337 3.13,338 4.507,339 1.058,340 10.46,341 3.055,342 4.386,343 3.2,344 6.462,345 4,346 3.026,347 4.026,348 0.86,349 10.025,350 2.954,351 4.173,352 3.157,353 6.106,354 3.762,355 2.792,356 3.818,357 0.8,358 8.903,359 2.705,360 3.937,361 3.084,362 5.727,363 3.697,364 2.747,365 3.235,366 0.8,367 8.129,368 2.602,369 3.715,370 2.81,371 5.329,372 3.347,373 2.378,374 3.121,375 0.68,376 6.883,377 2.296,378 3.462,379 2.724,380 5.205,381 3.232,382 2.293,383 2.72,385 6.333,386 2.148,387 3.332,388 2.592,389 5.047,390 3.015,391 2.073,392 2.481,394 6.047,395 1.94,396 3.232,397 2.575,398 4.903,399 2.802,400 1.879,401 2.465,403 5.253,404 1.763,405 3.203,406 2.126,407 4.73,408 2.787,409 1.831,410 2.442,412 5.194,413 1.685,414 3.161,415 1.934,416 4.618,417 2.72,418 1.754,419 2.31,421 4.963,422 1.678,423 2.777,424 1.752,425 4.28,426 2.412,427 1.463,428 1.865,430 3.897,431 1.383,432 2.693,433 1.477,434 4.163,435 2.237,436 1.259,437 1.76,439 3.498,440 1.228,441 2.499,442 1.282,443 3.854,444 2.078,445 1.085,446 1.471,448 2.844,449 1.071,450 2.168,451 1.146,452 3.414,453 1.967,454 1,455 1.013,457 2.275,458 0.965,459 2,460 0.939,461 3.273,462 1.699,463 0.713,464 1,466 1.704,467 0.701,468 16.738,469 0.465,470 0.955,471 0.027,472 46.75,473 1.299,474 23,475 0.639,476 23.75,477 0.66,478 31.37,479 0.871,480 39.062,481 0.62,482 39.947,483 1.11,484 9.619,485 0.267,486 7.77,487 0.216,488 0.114,490 0.376,494 2,496 0.647,497 1.115,498 0.713,499 1.079,500 0.519,501 0.945,502 0.842,503 0.952,504 0.812,505 0.867,506 0.541,507 0.828,508 0.982,509 1.055,510 1.061,511 1.109,512 0.907,513 1.1,514 0.557,515 0.919,516 0.863,517 1.088,518 0.553,519 1.065,520 0.982,521 0.892,522 0.941,523 0.934,524 1.019,525 0.93,526 0.964,527 0.817,528 0.949,529 0.875,530 0.798,531 0.897,532 1.148,533 1.112,534 1.008,535 1.074,536 1.051,537 1.026,538 1.162,539 0.993,540 1.071,541 0.991,542 1.212,543 0.998,544 8.5,545 0.213,546 4,547 2.854,548 1.897,549 1.396,550 0.953,551 0.577,552 0.549,553 0.321,554 21341,555 59849,556 2.103,557 42.9,558 2,559 23,562 2,567 1.773,568 1.964,569 3.811,570 0.176,577 104.195,578 1.654,579 3.802,580 4.77,581 5.35,582 5.35,583 5.35,584 3.266,585 4.67,586 5.139,587 4.001,588 2520.35,589 9.026,590 41039,595 376.569,596 1.426,597 5.099,598 0.213,599 0.006,600 0.07,601 0.049,602 0.035,603 0.028,604 0.019,605 0.011,606 0.012,607 0.008,608 0.452,609 0.17,610 0.75,611 0.683,612 198.391,613 -0.016,614 -0.089,615 0.05,616 -0.044,617 -0.023,618 0.006,619 -0.06,620 0.019,621 0.055,622 0.111,623 0.049,624 0.115,625 -0.111,626 -0.035,627 -0.16,628 -0.112,629 -0.073,630 -0.137,631 0.214,632 -0.069,633 0.085,634 -0.097,635 0.194,636 -0.053,637 -0.063,638 -0.01,639 0.052,640 0.051,641 -0.061,642 0.077,643 -0.063,644 0.023,645 0.008,646 0.074,647 -0.021,648 0.063,649 -0.082,650 -0.13,651 -0.046,652 -0.086,653 -0.071,654 -0.066,655 -0.153,656 -0.1,657 -0.081,658 -0.055,659 -0.15,660 -0.049,661 2.282,662 6.174,663 0.75,664 45.602,665 1.013,666 1.136,667 3.601,668 12.969,669 0.666,670 3.714,671 4.06,672 4.331,673 4.615,674 4.828,675 4.934,676 5.056,677 5.204,678 5.328,679 5.455,680 8.442,681 0.645,682 491.59,683 3.714,684 5.273,685 6.129,686 7.017,687 7.886,688 8.776,689 9.65,690 10.542,691 11.42,692 12.313,693 7.9,696 1,699 1,700 1,701 1,703 1,708 2,709 9,710 1,711 1,714 8,716 22,723 1,730 1,733 1,734 2,735 63,737 23,738 3,739 40,741 67,742 27,743 19,744 9,745 9,746 1,748 5,749 6,760 1,762 20,763 7,767 1,772 1,776 1,781 2,783 27,784 8,785 2,786 9,792 5,797 0.8,798 2,807 1,815 1,816 4,819 1,839 1,843 4,847 2,849 2,851 36,858 5,860 1,861 1,864 2,873 2,874 3.2,877 1,879 1,881 18.333,882 11.969,883 7.806,884 3.648,886 4.183,887 1.489,888 1.015,889 7.013,890 12.736,891 3.97,892 4.598,893 5.185,894 5.79,895 6.294,896 6.607,897 6.987,898 7.399,899 7.7,900 8.122,901 0.9,902 58,903 13.4,905 5.847,906 7.898,907 25.257,909 20.938,911 2.398,912 86.333,916 294.278,917 163.072,918 57.585,920 36.145,921 29.92,923 163.072,924 330.422,925 87.506,926 19.279,927 28.968,928 85.286,929 46.513,930 76.755,931 29.92,932 294.278,934 294.278,935 220.657,936 66.065,939 324.198,940 36.145,943 53.227,944 150.767,945 16.663,947 324.198,948 93.73,949 163.072,952 294.278,953 58.506,954 110.814,955 34.674,956 82.728,957 294.278,958 123.65,959 163.072,961 0.587,962 0.342,963 0.188,964 0.101,965 28,966 13,967 0.09,968 6,969 1,970 1.074,971 4.664,972 347.95,973 0.074,974 27,975 176.117,981 24.386,982 10.353,983 5.44,984 1.364,985 106.987,986 14.561,987 4.264,988 2.873,991 2.468,993 34.674,994 581,995 52,1000 13.174,1004 -0.333,1007 63.792,1008 71.572,1009 0.277,1010 0.636,1011 0.798,1012 0.895,1013 0.895,1014 0.895,1015 5.223,1016 1.879,1017 6.125,1018 6.047,1019 4.745,1020 5.286,1021 2.023,1022 6.936,1023 4.663,1024 6.438,1025 1.831,1026 7.684,1027 5.253,1028 4.369,1029 5.156,1030 0.57,1031 7.803,1032 4.235,1033 7.752,1034 1.754,1035 9.335,1036 5.194,1037 6.347,1038 7.507,1039 1.784,1040 10.889,1041 6.202,1042 9.098,1043 1.463,1044 11.04,1045 4.963,1046 6.746,1047 8.182,1048 0.479,1049 12.566,1050 6.559,1051 10.474,1052 1.259,1053 12.78,1054 3.897,1055 8.21,1056 10.034,1057 1.678,1058 15.166,1059 8.011,1060 11.871,1061 1.085,1062 14.544,1063 3.498,1064 8.976,1065 11.104,1066 0.346,1067 17.201,1068 8.743,1069 13.285,1070 1,1071 16.328,1072 2.844,1073 10.229,1074 12.744,1075 1.644,1076 19.623,1077 9.981,1078 3.13,1079 0.713,1080 18.125,1081 2.275,1082 11.173,1083 14.017,1084 0.237,1085 21.817,1086 10.897,1087 3.026,1088 10.46,1089 19.935,1090 1.704,1091 12.337,1092 15.563,1093 1.653,1094 24.173,1095 12.043,1096 2.792,1097 10.025,1098 21.755,1099 4.507,1100 13.368,1101 16.94,1102 0.158,1103 26.437,1104 13.048,1105 2.747,1106 8.903,1107 23.583,1108 4.026,1109 14.497,1110 18.446,1111 1.692,1112 28.771,1113 14.158,1114 2.378,1115 8.129,1116 25.417,1117 3.818,1118 15.57,1119 19.876,1120 0.104,1121 31.068,1122 15.207,1123 2.293,1124 6.883,1125 27.257,1126 3.235,1127 16.687,1128 21.368,1129 1.751,1130 33.394,1131 16.303,1132 2.073,1133 6.333,1134 29.102,1135 3.121,1136 17.782,1137 22.825,1138 0.068,1139 35.707,1140 17.375,1141 19946,1142 33688,1143 26.759,1144 41.949,1145 60.412,1146 61.52,1147 62.297,1148 60.029,1149 59.879,1150 77.657,1151 8.397,1152 174.58,1153 57.255,1154 5.563,1155 5.622,1156 6.096,1157 5.174,1158 5.13,1159 7.507,1160 2.117,1161 17.414,1162 5.055,1163 18.631,1164 1.51,1165 1.538,1166 1.557,1167 1.501,1168 1.497,1169 1.941,1170 0.21,1171 4.364,1172 1.431,1173 4.126,1174 4.164,1175 4.092,1176 4.026,1177 8.211,1178 4.036,1179 3.969,1180 4.006,1181 3.918,1182 3.871,1183 8.191,1184 3.878,1185 3.912,1186 3.941,1187 3.875,1188 3.82,1189 7.429,1190 3.828,1191 3.756,1192 3.814,1193 3.65,1194 3.568,1195 5.082,1196 3.578,1197 3.49,1198 3.548,1199 3.42,1200 3.312,1201 4.832,1202 3.332,1203 3.295,1204 3.361,1205 3.223,1206 3.078,1207 4.535,1208 3.104,1209 3.252,1210 3.311,1211 3.085,1212 2.972,1213 4.44,1214 2.984,1215 3.12,1216 3.208,1217 2.953,1218 2.941,1219 4.322,1220 2.916,1221 0.114,1222 0.091,1223 0.164,1224 0.103,1225 0.078,1226 4.563,1227 0.113,1228 3.622,1229 0.026,1230 6.576,1231 0.261,1232 4.106,1233 0.076,1234 3.13,1235 4.507,1236 1.058,1237 10.46,1238 3.055,1239 1.985,1240 1.964,1241 2.073,1242 2.074,1243 1.305,1244 2.071,1245 1.926,1246 1.901,1247 2.038,1248 2.052,1249 1.264,1250 2.055,1251 1.832,1252 1.811,1253 1.918,1254 1.938,1255 1.068,1256 1.931,1257 1.715,1258 1.648,1259 1.897,1260 1.905,1261 1.032,1262 1.903,1263 1.425,1264 1.357,1265 1.575,1266 1.742,1267 0.825,1268 1.691,1269 1.222,1270 1.167,1271 1.556,1272 1.526,1273 0.65,1274 1.542,1275 1.21,1276 1.137,1277 1.513,1278 1.466,1279 0.63,1280 1.479,1281 1.162,1282 1.08,1283 1.513,1284 1.391,1285 0.571,1286 1.429,1287 4.394,1289 5.733,1290 2.398,1291 7.258,1292 4.727,1293 8.867,1294 6.823,1295 10.52,1297 3.655,1299 27.187,1303 4.123,1305 2.893,1306 5.546,1309 4.56,1314 40.625,1315 104.195,1316 239.51,1317 300.53,1318 337.059,1319 337.059,1320 337.059,1321 76.732,1322 8.553,1323 73.49,1324 73.49,1325 29,1326 12.843,1327 4.585,1328 3.7,1329 54.616,1330 183,1331 192,1332 0.143,1333 244.956,1334 425.94,1335 589.452,1336 74061,1337 3.2,1338 25.233,1339 0.701,1340 0.56,1341 23.493,1342 20.146,1343 17.389,1344 0.435,1345 0.294,1346 11.524,1347 16.529,1348 11.244,1349 9.285,1350 16.602,1351 11.743,1352 16.098,1353 0.282,1354 0.158,1355 14.818,1356 9.034,1357 13.352,1358 0.178,1359 0.086,1360 12.801,1361 6.486,1362 11.601,1363 0.116,1364 0.045,1365 10.718,1366 4.521,1367 9.065,1368 0.073,1369 0.025,1370 8.852,1371 3.12,1372 0.23,1373 110.349,1374 0.193,1375 33.288,1376 0.381,1377 194,1378 671.294,1379 216.468,1380 595.512,1381 797.7,1382 556,1383 229,1384 576.131,1385 251.127,1386 574.06,1387 837.01,1388 537,1389 5.5}
{0 CHEMBL1974157,1 1.571,2 10.045,3 2.394,4 5.73,5 82.833,6 8.176,7 0.522,8 3.674,9 3.767,10 3.286,11 3.258,12 5.01,13 3.254,14 4.083,15 4.205,16 3.582,17 3.589,18 5.376,19 3.56,20 4.368,21 4.53,22 3.651,23 3.673,24 5.753,25 3.627,26 4.399,27 4.608,28 3.468,29 3.547,30 5.759,31 3.483,32 4.215,33 4.431,34 3.417,35 3.437,36 5.516,37 3.389,38 4.131,39 4.314,40 3.422,41 3.344,42 5.612,43 3.346,44 4.009,45 4.16,46 3.371,47 3.269,48 5.687,49 3.258,50 3.965,51 4.161,52 3.132,53 3.186,54 5.525,55 3.121,56 0.088,57 0.467,58 5.984,59 3.11,60 18.095,61 3.433,62 0.126,63 0.704,64 9.469,65 4.867,66 18.216,67 5.79,68 0.281,69 0.887,70 14.957,71 6.561,72 54.215,73 7.976,74 0.416,75 0.912,76 17.958,77 6.424,78 90.659,79 7.894,80 0.215,81 0.775,82 14.579,83 5.48,84 42.059,85 7.121,86 0.283,87 0.712,88 12.941,89 4.391,90 66.729,91 5.027,92 0.346,93 0.618,94 10.61,95 4.076,96 74.536,97 4.786,98 0.365,99 0.593,100 11.133,101 4.053,102 80.67,103 5.141,104 18,105 30,106 0.283,107 0.628,108 0.737,109 0.847,110 0.871,111 0.881,112 3.145,113 0.855,114 -2.77,115 -2.78,116 -2.7,119 47.2,125 1,135 1,136 1,142 8,143 2,144 2,158 2,172 11,175 2,178 1,180 4,183 11,188 2,192 1,193 7,196 7,199 1,200 3,203 1,205 6,208 2,213 6,218 5,221 3,225 5,230 2,233 5,238 3,241 2,242 1,246 7,250 2,253 2,254 1,258 8,264 1,269 1,272 7,276 704,277 14.715,278 14.715,279 14.715,280 14.715,281 14.715,282 12.744,283 12.962,284 8.831,285 14.823,286 11.256,287 11.256,288 11.256,289 11.256,290 11.256,291 8.251,292 12.805,293 4.117,294 11.448,295 3.598,296 1.681,297 1.077,298 0.465,299 0.333,300 0.278,301 3.806,304 1,305 1,306 1,307 456,308 3.464,312 168.99,319 1.595,320 29.771,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 48,332 221,333 4.306,334 4.098,335 6.069,336 3.877,337 2.889,338 3.925,339 2.035,340 8.774,341 2.86,342 4.124,343 3.486,344 5.921,345 3.703,346 2.724,347 3.549,348 1.081,349 8.163,350 2.651,351 3.892,352 3.039,353 5.342,354 3.494,355 2.498,356 3.435,357 0.473,358 6.966,359 2.486,360 3.48,361 2.724,362 5.166,363 3.106,364 2.122,365 2.764,367 6.252,368 2.075,369 3.322,370 2.36,371 4.129,372 2.552,373 1.57,374 2.142,376 3.65,377 1.54,378 2.92,379 1.814,380 4.035,381 2.372,382 1.414,383 1.955,385 3.512,386 1.347,387 2.82,388 1.709,389 3.6,390 2.331,391 1.333,392 1.942,394 3.004,395 1.321,396 2.579,397 1.644,398 3.247,399 2,400 1,401 1.5,403 2.136,404 1,405 2.5,406 1.058,407 2.988,408 1.47,409 0.504,410 0.802,412 1.014,413 0.482,414 1.758,415 1,416 2.85,417 1.365,418 0.401,419 0.529,421 0.801,422 0.383,423 1.435,424 0.576,425 2.378,426 0.969,427 0.04,428 0.057,430 0.074,431 0.037,432 0.843,433 -0.018,434 2.272,435 0.443,436 -0.511,437 -0.645,439 -1.224,440 -0.483,441 0.787,442 -0.047,443 2.119,444 0.396,445 -0.616,446 -0.834,448 -1.355,449 -0.617,450 0.552,451 -0.46,452 1.555,453 0.087,454 -0.887,455 -1.172,457 -2.234,458 -0.849,459 0.5,460 -0.684,461 1.552,463 -1,464 -1.5,466 -2.347,467 -1,468 10.3,469 0.468,470 0.489,471 0.022,472 32,473 1.455,474 19,475 0.864,476 13,477 0.591,478 12.546,479 0.57,480 22.7,481 0.631,482 23.396,483 1.063,484 6.673,485 0.303,486 3.923,487 0.178,488 0.136,490 0.291,496 0.893,497 0.945,498 0.779,499 0.842,500 0.767,501 0.795,502 0.607,503 1.082,504 0.84,505 1.099,506 0.56,507 1.034,508 0.819,509 1.257,510 0.975,511 1.225,512 0.766,513 1.159,514 1.163,515 0.953,516 1.118,517 0.961,518 1.099,519 1.018,520 0.841,521 1.064,522 0.812,523 0.948,524 0.872,525 0.882,526 1.461,527 0.962,528 1.021,529 0.824,530 1.693,531 0.807,532 0.992,533 1.111,534 0.99,535 1.048,536 1.183,537 1.026,538 0.775,539 0.866,540 1.056,541 0.909,542 1.019,543 1.012,544 4.5,545 0.082,546 2.444,547 1.125,548 1.004,549 0.597,550 0.428,551 0.318,552 0.123,553 0.076,554 4971,555 16567,556 1.969,557 38.9,559 11,562 3,567 1.643,568 1.833,569 3.318,570 1.024,571 1,572 1,574 1,577 56.573,578 1.571,579 3.489,580 4.093,581 4.705,582 4.837,583 4.892,584 2.754,585 4.187,586 4.432,587 3.461,588 799.428,589 7.603,590 9116.16,591 1,592 1,594 1,595 186.117,596 1.435,597 4.382,598 0.196,599 0.007,600 0.081,601 0.038,602 0.042,603 0.025,604 0.018,605 0.014,606 0.007,607 0.006,608 0.434,609 0.5,610 1,611 0.853,612 102.791,613 -0.142,614 0.103,615 -0.039,616 0.135,617 -0.112,618 0.084,619 0.046,620 -0.055,621 -0.062,622 -0.119,623 0.014,624 -0.115,625 0.072,626 -0.301,627 -0.061,628 -0.243,629 0.069,630 -0.197,631 -0.096,632 0.025,633 -0.089,634 -0.005,635 -0.045,636 -0.042,637 -0.017,638 -0.084,639 0.187,640 0.023,641 0.005,642 0.127,643 -0.253,644 0.086,645 -0.025,646 0.093,647 -0.264,648 0.097,649 0.203,650 -0.092,651 -0.042,652 -0.115,653 0.162,654 -0.133,655 0.225,656 0.143,657 -0.064,658 0.041,659 0.148,660 -0.052,661 2.168,662 4.99,663 0.545,664 18.182,665 1.014,666 1.114,667 1.54,668 2.372,669 0.693,670 3.178,671 3.434,672 3.611,673 3.714,674 3.871,675 3.738,676 3.738,677 3.738,678 3.611,679 3.401,680 5.992,681 0.676,682 294.33,683 3.178,684 4.673,685 5.476,686 6.304,687 7.124,688 7.953,689 8.778,690 9.608,691 10.435,692 11.267,693 5.6,700 1,702 1,709 8,714 4,716 12,732 2,735 36,737 15,738 2,739 23,741 37,742 17,743 12,744 4,745 8,746 3,748 2,749 2,761 1,762 15,763 1,767 2,772 1,774 1,776 2,779 1,780 1,783 14,784 5,785 3,786 5,792 2,797 1,798 3,816 2,825 1,829 1,834 1,835 1,843 2,851 22,857 2,858 1,860 1,866 1,870 1,872 1,874 8.3,876 2,877 1,881 12,882 6.267,883 5.056,884 1.914,886 2.546,887 1.409,888 0.91,889 5.184,890 8.776,891 3.526,892 4.043,893 4.564,894 4.987,895 5.479,896 5.485,897 5.748,898 6.035,899 6.13,900 5.725,901 0.857,902 30,903 8.082,905 3.387,906 8.205,907 14.696,909 11.394,911 2.705,912 59.5,916 129.482,917 118.255,918 49.07,920 110.512,923 118.255,924 239.994,925 49.07,927 20.116,928 85.286,929 131.818,930 40.616,932 129.482,934 129.482,935 167.325,936 110.512,939 129.482,940 110.512,943 51.176,944 106.673,945 9.476,947 129.482,948 159.582,949 118.255,952 129.482,953 16.367,954 85.286,955 34.612,956 141.571,957 129.482,958 159.582,959 118.255,961 0.568,962 0.329,963 0.157,964 0.084,965 12,966 6,967 0.108,968 4,970 1,971 3.454,972 155.133,974 12,975 94.107,981 15.619,982 7.302,983 4.365,985 159.582,986 13.404,991 0.803,993 103.377,994 407.319,995 33,1000 11.99,1002 1.347,1004 -0.583,1007 36.487,1008 40.116,1009 0.304,1010 0.675,1011 0.792,1012 0.91,1013 0.936,1014 0.946,1015 4.727,1016 1,1017 5.434,1018 3.004,1019 4.111,1020 4.727,1021 2.49,1022 6.151,1023 4.077,1024 5.934,1025 0.504,1026 6.946,1027 2.136,1028 3.611,1029 4.369,1031 6.88,1032 3.558,1033 7.22,1034 0.401,1035 8.555,1036 1.014,1037 5.624,1038 6.855,1039 3.64,1040 9.888,1041 5.563,1042 8.538,1043 0.04,1044 10.219,1045 0.801,1046 5.916,1047 7.282,1049 11.39,1050 5.832,1051 9.883,1052 -0.511,1053 11.916,1054 0.074,1055 7.391,1056 9.223,1057 4.984,1058 13.896,1059 7.303,1060 11.246,1061 -0.616,1062 13.635,1063 -1.224,1064 8.051,1065 10.031,1067 15.723,1068 7.94,1069 12.624,1070 -0.887,1071 15.37,1072 -1.355,1073 9.291,1074 11.715,1075 6.384,1076 18.032,1077 9.176,1078 2.889,1079 -1,1080 17.115,1081 -2.234,1082 10.135,1083 12.733,1085 20.016,1086 9.998,1087 2.724,1088 8.774,1089 18.868,1090 -2.347,1091 11.266,1092 14.277,1093 7.799,1094 22.239,1095 11.122,1096 2.498,1097 8.163,1098 20.628,1099 3.925,1100 12.202,1101 15.421,1103 24.302,1104 12.04,1105 2.122,1106 6.966,1107 22.392,1108 3.549,1109 13.283,1110 16.884,1111 9.218,1112 26.487,1113 13.111,1114 1.57,1115 6.252,1116 24.161,1117 3.435,1118 14.268,1119 18.105,1121 28.593,1122 14.08,1123 1.414,1124 3.65,1125 25.933,1126 2.764,1127 15.325,1128 19.521,1129 10.638,1130 30.76,1131 15.127,1132 1.333,1133 3.512,1134 27.708,1135 2.142,1136 16.336,1137 20.791,1139 32.889,1140 16.124,1141 5007,1142 9247,1143 14.909,1144 24.943,1145 34.709,1146 37.115,1147 34.517,1148 32.974,1149 32.992,1150 45.202,1151 7.177,1152 88.69,1153 32.366,1154 5.173,1155 6.098,1156 5.871,1157 4.877,1158 4.889,1159 6.925,1160 4.069,1161 15,1162 4.86,1163 11.615,1164 1.509,1165 1.614,1166 1.501,1167 1.434,1168 1.434,1169 1.965,1170 0.312,1171 3.856,1172 1.407,1173 3.964,1174 3.987,1175 3.915,1176 3.89,1177 7.43,1178 3.892,1179 3.897,1180 3.923,1181 3.828,1182 3.837,1183 6.818,1184 3.831,1185 3.644,1186 3.667,1187 3.612,1188 3.501,1189 6.53,1190 3.525,1191 3.279,1192 3.349,1193 3.178,1194 3.09,1195 6.402,1196 3.096,1197 2.979,1198 3.005,1199 2.921,1200 2.778,1201 4.757,1202 2.807,1203 2.918,1204 2.963,1205 2.82,1206 2.745,1207 4.565,1208 2.745,1209 2.889,1210 2.925,1211 2.789,1212 2.735,1213 4.083,1214 2.715,1215 2.854,1216 2.922,1217 2.687,1218 2.644,1219 3.855,1220 2.691,1221 0.187,1222 0.178,1223 0.264,1224 0.169,1225 0.126,1226 4.306,1227 0.171,1228 4.098,1229 0.088,1230 6.069,1231 0.381,1232 3.877,1233 0.124,1234 2.889,1235 3.925,1236 2.035,1237 8.774,1238 2.86,1239 1.922,1240 1.901,1241 2.042,1242 2.019,1243 1.153,1244 2.025,1245 1.899,1246 1.874,1247 1.992,1248 1.984,1249 1.086,1250 1.989,1251 1.568,1252 1.547,1253 1.658,1254 1.747,1255 0.713,1256 1.719,1257 1.241,1258 1.174,1259 1.466,1260 1.458,1261 0.549,1262 1.461,1263 0.886,1264 0.852,1265 1.181,1266 1.151,1267 0.218,1268 1.132,1269 0.883,1270 0.834,1271 1.14,1272 1.112,1273 0.156,1274 1.107,1275 0.872,1276 0.821,1277 1.032,1278 1.062,1279 0.035,1280 1.092,1281 0.767,1282 0.724,1283 0.949,1284 1.043,1286 1.005,1287 3.85,1289 5.118,1291 6.578,1293 8.117,1295 9.693,1302 18.653,1303 0.319,1305 2.655,1312 9.088,1313 1.826,1314 24.348,1315 56.573,1316 125.588,1317 147.362,1318 169.362,1319 174.117,1320 176.117,1321 53.597,1322 6.23,1323 93.35,1324 93.35,1325 12,1326 11.839,1327 4,1328 3.459,1329 42.323,1330 77,1331 74,1332 0.261,1333 155.357,1334 278.11,1335 370.831,1336 3614,1338 15.949,1339 0.725,1340 0.53,1341 15.949,1342 11.653,1343 10.597,1344 0.461,1345 0.285,1346 6.486,1347 10.286,1348 6.347,1349 5.304,1350 10.597,1351 6.558,1352 9.096,1353 0.303,1354 0.153,1355 9.096,1356 4.586,1357 7.427,1358 0.206,1359 0.083,1360 7.427,1361 2.971,1362 5.313,1363 0.133,1364 0.045,1365 5.313,1366 1.819,1367 4.127,1368 0.088,1369 0.025,1370 4.127,1371 1.163,1372 0.413,1373 66.119,1374 0.259,1375 22.065,1376 0.703,1377 106,1378 358.013,1379 114.836,1380 353.437,1381 460.27,1382 324,1383 119,1384 317.796,1385 127.588,1386 326.499,1387 463.43,1388 305,1389 5.1}
{0 CHEMBL1974254,1 1.649,2 16,3 4.046,4 16.368,5 140.7,6 8.214,7 0.692,8 4.194,9 4.31,10 3.88,11 3.781,12 5.359,13 3.755,14 4.675,15 4.827,16 4.242,17 4.167,18 5.827,19 4.121,20 4.863,21 5.037,22 4.274,23 4.279,24 5.953,25 4.21,26 4.908,27 5.085,28 4.347,29 4.321,30 6.02,31 4.228,32 4.962,33 5.167,34 4.252,35 4.28,36 6.068,37 4.171,38 4.853,39 5.065,40 4.066,41 4.142,42 5.922,43 4.048,44 4.768,45 4.993,46 3.941,47 4.049,48 5.833,49 3.946,50 4.706,51 4.928,52 3.839,53 3.979,54 5.729,55 3.871,56 0.083,57 0.914,58 10.876,59 5.071,60 11.279,61 6.034,62 0.31,63 1.423,64 21.178,65 8.723,66 28.676,67 10.487,68 0.342,69 1.647,70 26.429,71 10.412,72 37.307,73 12.38,74 0.209,75 1.761,76 29.643,77 11.814,78 31.388,79 14.525,80 0.443,81 1.83,82 37.743,83 12.96,84 53.613,85 15.552,86 0.3,87 1.596,88 29.293,89 10.827,90 45.431,91 13.587,92 0.461,93 1.49,94 28.316,95 9.791,96 45.646,97 12.82,98 0.239,99 1.359,100 24.197,101 9.487,102 29.815,103 12.448,104 19,105 55,106 0.263,107 0.632,108 0.782,109 0.831,110 0.847,111 0.852,112 3.588,113 0.92,114 -4.35,115 -4.29,116 -4.05,119 44.1,120 1,124 1,125 1,142 8,143 5,144 3,145 2,147 1,151 2,152 1,159 1,163 1,164 1,165 1,166 1,172 9,175 7,177 1,178 3,179 1,180 5,183 13,185 1,188 6,193 5,196 12,198 1,200 6,205 8,208 8,210 3,212 2,213 10,216 1,218 8,221 7,223 3,225 5,230 4,233 8,235 2,237 1,238 3,240 2,241 3,243 3,246 10,250 5,253 1,254 1,255 2,257 1,258 6,264 8,269 3,272 4,276 2349,277 23.903,278 23.903,279 23.903,280 23.903,281 23.903,282 20.586,283 23.439,284 14.074,285 24.538,286 19.234,287 19.234,288 19.234,289 19.234,290 19.234,291 14.215,292 29.144,293 6.631,294 20.181,295 4.233,296 1.916,297 0.975,298 0.67,299 0.568,300 0.534,301 4.294,306 1,307 1233,308 3.536,311 176.124,312 349.175,315 157.782,319 2.4,320 26.218,323 1,324 0.83,325 1,326 0.6,328 1,329 1,330 0.78,331 75,332 560,333 4.748,334 3.562,335 7.013,336 4.283,337 3.316,338 4.726,339 1.656,340 11.979,341 3.206,342 4.242,343 3.327,344 6.35,345 3.856,346 2.87,347 3.88,348 0.86,349 9.649,350 2.83,351 4.081,352 2.896,353 5.775,354 3.692,355 2.728,356 3.658,357 0.247,358 7.871,359 2.625,360 4.009,361 2.879,362 5.594,363 3.572,364 2.605,365 3.621,367 7.633,368 2.519,369 3.769,370 2.632,371 5.409,372 3.386,373 2.427,374 3.157,376 7.127,377 2.321,378 3.594,379 2.428,380 5.247,381 3.19,382 2.239,383 2.944,385 6.512,386 2.122,387 3.507,388 2.353,389 5.172,390 3.091,391 2.149,392 2.849,394 6.308,395 2.024,396 3.311,397 2.241,398 4.823,399 2.845,400 1.894,401 2.594,403 5.181,404 1.8,405 3.182,406 1.879,407 4.628,408 2.703,409 1.756,410 2.388,412 4.896,413 1.626,414 2.798,415 1.519,416 4.399,417 2.328,418 1.357,419 1.92,421 3.934,422 1.311,423 2.554,424 1.413,425 3.98,426 2.022,427 1.104,428 1.578,430 2.893,431 1.005,432 2.5,433 1.094,434 3.584,435 2.004,436 1.065,437 1.5,439 2.275,440 1,441 2.5,442 1,443 3.414,444 2,445 1,446 1.5,448 2.275,449 1,450 2.261,451 1,452 3.414,453 2,454 1,455 1.174,457 2.06,458 0.987,459 2.19,460 0.85,461 3.268,462 1.673,463 0.806,464 1.154,466 1.917,467 0.686,468 16.9,469 0.483,470 0.832,471 0.024,472 50.25,473 1.436,474 27.5,475 0.786,476 22.75,477 0.65,478 27.265,479 0.779,480 35.9,481 0.608,482 39.634,483 1.132,484 9.857,485 0.282,486 7.155,487 0.204,488 0.103,490 0.349,496 0.86,497 1.096,498 0.731,499 0.871,500 0.773,501 0.823,502 0.874,503 0.941,504 0.839,505 0.856,506 0.559,507 0.815,508 1.333,509 0.94,510 0.955,511 0.834,512 1.098,513 0.9,514 0.844,515 1.251,516 1.004,517 1.173,518 0.839,519 1.082,520 0.975,521 1.092,522 1.309,523 1.237,524 1.302,525 1.06,526 1.074,527 1.153,528 1.02,529 1.04,530 1.311,531 1.038,532 0.665,533 0.942,534 1.055,535 1.022,536 0.729,537 1.017,538 0.774,539 1.064,540 0.924,541 1.07,542 0.788,543 1.12,544 7,545 0.133,546 3.778,547 2.25,548 1.984,549 1.313,550 0.859,551 0.485,552 0.3,553 0.318,554 20903,555 56995,556 2.123,557 40.7,559 13,560 2,561 2,562 4,564 3,567 1.762,568 2,569 3.905,570 1.52,577 97.316,578 1.649,579 3.967,580 4.908,581 5.213,582 5.315,583 5.349,584 3.401,585 4.765,586 5.095,587 4.086,588 2430.92,589 8.916,590 39651.1,595 347.076,596 1.366,597 5.067,598 0.179,599 0.005,600 0.069,601 0.041,602 0.036,603 0.026,604 0.02,605 0.012,606 0.009,607 0.01,608 0.406,610 0.75,611 0.797,612 193.016,613 -0.044,614 0.023,615 0.053,616 0.054,617 -0.127,618 0.05,619 0.09,620 0.131,621 0.066,622 0.116,623 0.135,624 0.1,625 -0.245,626 0.087,627 -0.046,628 0.123,629 -0.164,630 0.03,631 -0.024,632 -0.232,633 0.031,634 -0.116,635 0.036,636 -0.102,637 -0.003,638 -0.067,639 -0.098,640 -0.109,641 -0.03,642 -0.059,643 -0.121,644 -0.169,645 -0.059,646 -0.068,647 -0.125,648 -0.059,649 0.161,650 0.067,651 -0.073,652 -0.048,653 0.069,654 -0.033,655 0.029,656 -0.11,657 -0.049,658 -0.139,659 0.021,660 -0.126,661 1.988,662 5.416,663 0.743,664 45.788,665 1.005,666 1.12,667 3.124,668 9.761,669 0.702,670 3.689,671 4.025,672 4.317,673 4.625,674 4.836,675 4.956,676 5.13,677 5.288,678 5.375,679 5.447,680 8.871,681 0.669,682 484.63,683 3.689,684 5.242,685 6.103,686 6.993,687 7.873,688 8.77,689 9.66,690 10.562,691 11.459,692 12.365,693 10.2,697 1,700 2,701 1,703 2,708 2,709 12,710 2,713 1,714 8,715 1,716 27,727 1,733 1,735 59,737 28,738 2,739 39,741 63,742 26,743 22,744 4,745 8,748 5,749 6,753 1,754 1,762 23,763 3,767 1,772 1,776 1,783 24,784 7,785 4,786 9,787 1,792 6,797 0.8,798 2,807 1,809 1,815 2,816 3,819 1,843 4,845 1,847 2,851 35,852 1,858 1,860 2,861 1,869 1,874 3.4,877 1,879 1,881 17.5,882 11.183,883 7.667,884 3.407,886 5.043,887 1.592,888 1.029,889 6.706,890 13.568,891 3.998,892 4.649,893 5.283,894 5.945,895 6.479,896 6.873,897 7.374,898 7.867,899 8.233,900 8.618,901 0.909,902 55,903 12.869,905 5.463,906 7.705,907 24.514,909 20.006,911 2.205,912 77.167,916 235.422,917 197.115,918 104.144,920 36.145,922 31.278,923 165.837,924 271.567,925 104.144,926 17.222,927 40.614,928 125.404,929 82.136,930 56.943,931 30.892,932 219.615,934 235.422,935 269.981,936 36.145,937 31.278,939 200.109,940 71.458,943 69.311,944 167.222,945 33.449,946 31.278,947 235.422,948 140.289,949 197.115,952 235.422,953 69.292,954 129.599,955 36.022,956 102.491,957 235.422,958 140.289,959 197.115,961 0.581,962 0.34,963 0.192,964 0.103,965 27,966 12,967 0.095,968 6,969 1,970 1.077,971 4.673,972 331.531,973 0.077,974 26,975 169.525,977 1,981 23.332,982 10.06,983 5.016,984 1.989,985 138.512,986 22.564,987 8.713,990 1.628,991 6.605,992 1.768,993 68.919,994 572.825,995 53.5,1000 12.416,1004 -0.322,1007 59.294,1008 66.065,1009 0.28,1010 0.674,1011 0.834,1012 0.886,1013 0.903,1014 0.909,1015 5.23,1016 1.894,1017 6.089,1018 6.308,1019 4.71,1020 5.338,1021 1.985,1022 6.913,1023 4.624,1024 6.455,1025 1.756,1026 7.651,1027 5.181,1028 4.29,1029 5.165,1030 1.195,1031 7.835,1032 4.195,1033 7.773,1034 1.357,1035 9.312,1036 4.896,1037 6.312,1038 7.6,1039 2.508,1040 10.962,1041 6.162,1042 9.128,1043 1.104,1044 11.033,1045 3.934,1046 6.723,1047 8.287,1048 2.324,1049 12.769,1050 6.559,1051 10.516,1052 1.065,1053 12.795,1054 2.893,1055 8.201,1056 10.17,1057 3.275,1058 15.432,1059 7.998,1060 11.927,1061 1,1062 14.588,1063 2.275,1064 9,1065 11.279,1066 3.407,1067 17.624,1068 8.775,1069 13.359,1070 1,1071 16.405,1072 2.275,1073 10.27,1074 12.942,1075 4.165,1076 20.148,1077 10.012,1078 3.316,1079 0.806,1080 18.241,1081 2.06,1082 11.26,1083 14.269,1084 4.464,1085 22.504,1086 10.975,1087 2.87,1088 11.979,1089 20.093,1090 1.917,1091 12.453,1092 15.846,1093 5.114,1094 24.988,1095 12.138,1096 2.728,1097 9.649,1098 21.96,1099 4.726,1100 13.538,1101 17.283,1102 5.504,1103 27.414,1104 13.192,1105 2.605,1106 7.871,1107 23.838,1108 3.88,1109 14.708,1110 18.83,1111 6.092,1112 29.889,1113 14.331,1114 2.427,1115 7.633,1116 25.726,1117 3.658,1118 15.841,1119 20.322,1120 6.531,1121 32.344,1122 15.43,1123 2.239,1124 7.127,1125 27.623,1126 3.621,1127 17.01,1128 21.862,1129 7.084,1130 34.819,1131 16.567,1132 2.149,1133 6.512,1134 29.527,1135 3.157,1136 18.167,1137 23.382,1138 7.551,1139 37.288,1140 17.69,1141 19531,1142 32432,1143 26.353,1144 41.443,1145 58.915,1146 59.706,1147 60.496,1148 58.245,1149 58.331,1150 79.667,1151 5.526,1152 169.15,1153 55.656,1154 5.616,1155 5.562,1156 6.783,1157 5.396,1158 5.316,1159 7.726,1160 2.912,1161 19.547,1162 5.206,1163 16.561,1164 1.511,1165 1.531,1166 1.551,1167 1.493,1168 1.496,1169 2.043,1170 0.142,1171 4.337,1172 1.427,1173 4.139,1174 4.157,1175 4.346,1176 4.136,1177 7.431,1178 4.098,1179 3.932,1180 3.97,1181 3.884,1182 3.836,1183 5.191,1184 3.839,1185 3.898,1186 3.937,1187 3.859,1188 3.801,1189 4.949,1190 3.804,1191 3.791,1192 3.834,1193 3.791,1194 3.655,1195 4.86,1196 3.66,1197 3.497,1198 3.558,1199 3.438,1200 3.269,1201 4.767,1202 3.274,1203 3.393,1204 3.448,1205 3.403,1206 3.194,1207 4.566,1208 3.2,1209 3.261,1210 3.306,1211 3.237,1212 3.087,1213 4.393,1214 3.095,1215 3.131,1216 3.224,1217 3.034,1218 2.94,1219 4.241,1220 2.927,1221 0.122,1222 0.091,1223 0.18,1224 0.11,1225 0.085,1226 4.748,1227 0.121,1228 3.562,1229 0.042,1230 7.013,1231 0.307,1232 4.283,1233 0.082,1234 3.316,1235 4.726,1236 1.656,1237 11.979,1238 3.206,1239 1.966,1240 1.947,1241 2.037,1242 2.047,1243 1.19,1244 2.044,1245 1.884,1246 1.86,1247 1.989,1248 1.999,1249 1.073,1250 1.995,1251 1.844,1252 1.826,1253 1.893,1254 1.931,1255 1.057,1256 1.933,1257 1.509,1258 1.459,1259 1.786,1260 1.8,1261 0.923,1262 1.776,1263 1.464,1264 1.391,1265 1.722,1266 1.713,1267 0.777,1268 1.735,1269 1.424,1270 1.364,1271 1.531,1272 1.59,1273 0.667,1274 1.581,1275 1.276,1276 1.235,1277 1.391,1278 1.515,1279 0.481,1280 1.493,1281 1.187,1282 1.157,1283 1.269,1284 1.306,1285 0.289,1286 1.347,1287 4.369,1289 5.7,1290 3.045,1291 7.217,1292 5.352,1293 8.824,1294 7.424,1295 10.482,1297 3.816,1301 6.288,1303 0.596,1305 5.681,1306 5.424,1314 39.486,1315 97.316,1316 234.056,1317 289.566,1318 307.566,1319 313.566,1320 315.566,1321 51.977,1322 8.524,1323 107.09,1324 135.33,1325 28,1326 12.885,1327 4.858,1328 3.954,1329 52.663,1330 187,1331 223,1332 0.136,1333 245.037,1334 409.83,1335 589.651,1336 71373,1338 24.363,1339 0.696,1340 0.574,1341 24.717,1342 20.096,1343 17.012,1344 0.436,1345 0.307,1346 11,1347 15.928,1348 10.629,1349 8.846,1350 17.466,1351 11.955,1352 15.412,1353 0.28,1354 0.16,1355 15.936,1356 8.807,1357 12.957,1358 0.175,1359 0.088,1360 13.661,1361 6.531,1362 11.318,1363 0.112,1364 0.049,1365 12.287,1366 4.993,1367 8.953,1368 0.072,1369 0.026,1370 9.82,1371 3.305,1372 0.221,1373 110.811,1374 0.195,1375 32.867,1376 0.352,1377 188,1378 537.245,1379 226.586,1380 547.384,1381 761.58,1382 514,1383 223,1384 562.418,1385 259.967,1386 585.808,1387 854.72,1388 551,1389 7.5}
{0 CHEMBL1974288,1 1.452,2 10.833,3 2.479,4 6.144,5 93.09,6 7.581,7 0.692,8 3.822,9 3.93,10 3.397,11 3.431,12 5,13 3.403,14 4.288,15 4.43,16 3.693,17 3.792,18 5.43,19 3.737,20 4.561,21 4.758,22 3.758,23 3.912,24 5.647,25 3.83,26 4.6,27 4.803,28 3.688,29 3.854,30 5.737,31 3.768,32 4.611,33 4.833,34 3.636,35 3.791,36 5.835,37 3.701,38 4.484,39 4.717,40 3.477,41 3.668,42 5.604,43 3.57,44 4.294,45 4.511,46 3.346,47 3.506,48 5.463,49 3.421,50 4.145,51 4.361,52 3.158,53 3.37,54 5.269,55 3.272,56 0.032,57 0.554,58 7.931,59 3.768,60 10.219,61 4.715,62 0.127,63 0.879,64 13.615,65 6.026,66 22.514,67 7.731,68 0.176,69 1.12,70 19.899,71 8.209,72 33.614,73 10.921,74 0.171,75 1.137,76 21.35,77 8.39,78 41.258,79 10.898,80 0.332,81 1.112,82 22.908,83 8.576,84 72.907,85 11.181,86 0.195,87 0.978,88 20.262,89 7.736,90 45.488,91 10.176,92 0.165,93 0.807,94 16.432,95 6.299,96 38.862,97 8.137,98 0.151,99 0.702,100 14.042,101 5.385,102 33.822,103 6.97,104 6,105 34,106 0.252,107 0.533,108 0.677,109 0.801,110 0.829,111 0.829,112 3.228,113 0.894,114 -3.52,115 -3.5,116 -3.34,119 47.6,125 1,127 1,142 11,143 4,145 2,158 1,172 15,175 3,178 1,180 2,183 17,188 3,192 1,193 5,196 12,200 4,205 6,208 6,213 5,216 1,218 5,221 6,225 5,230 4,233 8,238 4,243 4,246 10,255 1,258 9,263 1,267 1,269 1,272 8,276 808,277 16.629,278 16.629,279 16.629,280 16.629,281 16.629,282 14.399,283 8.463,284 10.109,285 16.753,286 12.781,287 12.781,288 12.781,289 12.781,290 12.781,291 9.543,292 11.475,293 4.713,294 12.965,295 3.94,296 2.325,297 1.495,298 0.78,299 0.619,300 0.619,301 3.913,304 1,305 1,306 1,307 556,308 3.162,312 265.175,319 1.778,320 20.619,321 1,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 51,332 260,333 4.289,334 3.589,335 6.215,336 3.942,337 2.947,338 3.926,339 1.081,340 9.268,341 2.932,342 4.115,343 3.068,344 6.138,345 3.824,346 2.835,347 3.577,348 0.473,349 9.036,350 2.802,351 3.973,352 2.841,353 5.928,354 3.622,355 2.616,356 3.478,358 8.267,359 2.627,360 3.402,361 2.128,362 4.604,363 2.926,364 1.945,365 2.777,367 4.912,368 1.905,369 3.172,370 1.951,371 4.442,372 2.79,373 1.812,374 2.372,376 4.443,377 1.77,378 2.882,379 1.714,380 3.968,381 2.391,382 1.405,383 1.995,385 3.294,386 1.377,387 2.57,388 1.348,389 3.499,390 2.129,391 1.157,392 1.593,394 2.666,395 1.12,396 2.5,397 1.129,398 3.446,399 2,400 1,401 1.5,403 2.386,404 1,405 2.5,406 1,407 3.414,408 2,409 1,410 1.5,412 2.275,413 1,414 2.5,415 1,416 3.247,417 1.984,418 1,419 1.5,421 2.136,422 0.983,423 2.423,424 1,425 3.247,426 1.98,427 1,428 1.355,430 2.136,431 0.973,432 1.361,433 1,434 2.701,435 1.136,436 0.238,437 0.258,439 0.359,440 0.211,441 1.044,442 0.151,443 2.379,444 0.631,445 -0.361,446 -0.466,448 -0.838,449 -0.356,450 0.794,451 -0.29,452 2.276,453 0.417,454 -0.594,455 -0.781,457 -1.368,458 -0.597,459 0.596,460 -0.703,461 2,462 0.11,463 -0.889,464 -1.224,466 -1.963,467 -0.884,468 11.467,469 0.478,470 0.397,471 0.017,472 34,473 1.417,474 19.5,475 0.813,476 14.5,477 0.604,478 15.108,479 0.63,480 24.533,481 0.584,482 24.285,483 1.012,484 7.091,485 0.295,486 4.684,487 0.195,488 0.058,490 0.262,496 0.81,497 1.049,498 0.795,499 0.911,500 0.748,501 0.859,502 0.81,503 1.086,504 0.987,505 1.029,506 0.779,507 1.029,508 0.801,509 1.039,510 0.956,511 1.026,512 0.801,513 1.013,514 1.194,515 1.135,516 1.099,517 1.132,518 1.221,519 1.106,520 1.243,521 0.96,522 1.018,523 0.967,524 1.302,525 0.965,526 1.228,527 0.936,528 0.978,529 0.957,530 1.278,531 0.94,532 1.349,533 0.968,534 1.009,535 0.968,536 1.377,537 0.952,538 1.342,539 1.008,540 1.107,541 1.004,542 1.443,543 1.026,544 3.5,545 0.062,546 2.667,547 1.125,548 0.764,549 0.806,550 0.445,551 0.181,552 0.156,553 0.144,554 6792,555 18364,556 2.089,557 42.9,559 14,561 2,562 2,567 1.666,568 2,569 3.414,570 0.214,571 1,572 1,574 1,577 60.98,578 1.452,579 3.067,580 3.897,581 4.612,582 4.773,583 4.773,584 2.872,585 3.835,586 4.556,587 3.562,588 982.977,589 7.845,590 11830.3,591 1,592 1,594 1,595 226.477,596 1.189,597 4.536,598 0.135,599 0.004,600 0.078,601 0.032,602 0.025,603 0.028,604 0.018,605 0.008,606 0.009,607 0.01,608 0.346,609 0.33,610 1,611 0.681,612 115.532,613 -0.079,614 0.014,615 0.012,616 0.062,617 -0.102,618 0.051,619 -0.016,620 -0.033,621 -0.134,622 -0.065,623 -0.073,624 -0.109,625 0.028,626 -0.039,627 -0.024,628 -0.052,629 0.002,630 -0.046,631 -0.102,632 -0.153,633 -0.124,634 -0.167,635 -0.081,636 -0.15,637 0.036,638 -0.011,639 0.01,640 0.007,641 0.074,642 0.007,643 -0.077,645 0.047,646 0.028,647 -0.038,648 0.051,649 -0.111,650 -0.025,651 0.008,652 0.012,653 -0.058,654 0.023,655 -0.158,656 -0.054,657 -0.102,658 -0.029,659 -0.159,660 -0.055,661 1.876,662 5.403,663 0.75,664 22.139,665 0.998,666 1.113,667 2.291,668 5.25,669 0.691,670 3.296,671 3.555,672 3.807,673 3.989,674 4.174,675 4.111,676 4.205,677 4.174,678 4.234,679 4.263,680 6.366,681 0.659,682 318.4,683 3.296,684 4.796,685 5.624,686 6.466,687 7.309,688 8.156,689 9.002,690 9.851,691 10.7,692 11.55,693 4.8,700 1,703 1,709 13,710 1,714 4,716 18,723 1,735 42,737 19,738 2,739 26,741 44,742 20,743 17,744 3,745 9,746 1,748 3,749 3,754 1,760 1,762 18,763 2,767 1,772 1,776 1,779 1,780 1,783 18,784 4,785 2,786 4,792 2,797 1,798 2,799 1,809 1,816 3,841 1,843 3,851 24,857 1,858 1,860 1,863 1,874 4.8,875 1,877 1,881 12,882 7.233,883 5.5,884 2.351,886 2.98,887 1.44,888 0.959,889 5.119,890 9.757,891 3.611,892 4.151,893 4.707,894 5.218,895 5.74,896 5.796,897 6.211,898 6.411,899 6.708,900 6.982,901 1,902 35,903 8.853,905 3.71,906 7.819,907 16.744,909 13.44,911 2.319,912 55.667,915 1,916 188.338,917 139.781,918 34.796,920 67.828,923 139.781,924 256.166,925 34.796,927 18.011,928 146.922,929 70.177,930 30.837,932 164.795,934 188.338,935 174.577,936 67.828,939 188.338,940 25.145,941 42.683,943 36.106,944 121.686,945 16.786,947 188.338,948 102.625,949 139.781,952 188.338,953 17.447,954 122.334,955 18.011,956 84.614,957 188.338,958 102.625,959 139.781,961 0.562,962 0.335,963 0.18,964 0.096,965 15,966 6,967 0.114,968 5,970 1,971 3.714,972 184.743,974 18,975 94.039,981 16.067,982 7.646,983 3.95,985 102.625,986 24.124,987 4,991 3.508,993 60.694,994 430.743,995 36,1000 12.403,1004 -0.209,1007 41.927,1008 46.737,1009 0.269,1010 0.569,1011 0.723,1012 0.855,1013 0.885,1014 0.885,1015 4.792,1016 1,1017 5.565,1018 2.666,1019 4.234,1020 4.836,1021 1.331,1022 6.312,1023 4.211,1024 5.963,1025 1,1026 7.083,1027 2.386,1028 3.611,1029 4.29,1031 7.111,1032 3.608,1033 7.231,1034 1,1035 8.706,1036 2.275,1037 5.759,1038 6.939,1039 1.343,1040 10.179,1041 5.722,1042 8.535,1043 1,1044 10.393,1045 2.136,1046 6.019,1047 7.234,1049 11.827,1050 6,1051 9.872,1052 0.238,1053 12.122,1054 2.136,1055 7.568,1056 9.301,1057 1.438,1058 14.361,1059 7.522,1060 11.232,1061 -0.361,1062 13.878,1063 0.359,1064 8.238,1065 10.015,1067 16.33,1068 8.204,1069 12.61,1070 -0.594,1071 15.652,1072 -0.838,1073 9.521,1074 11.787,1075 1.555,1076 18.669,1077 9.467,1078 2.947,1079 -0.889,1080 17.437,1081 -1.368,1082 10.39,1083 12.739,1085 20.77,1086 10.34,1087 2.835,1088 9.268,1089 19.231,1090 -1.963,1091 11.551,1092 14.343,1093 1.679,1094 23.032,1095 11.487,1096 2.616,1097 9.036,1098 21.03,1099 3.926,1100 12.516,1101 15.441,1103 25.189,1104 12.452,1105 1.945,1106 8.267,1107 22.833,1108 3.577,1109 13.621,1110 16.944,1111 1.807,1112 27.42,1113 13.546,1114 1.812,1115 4.912,1116 24.638,1117 3.478,1118 14.635,1119 18.133,1121 29.603,1122 14.556,1123 1.405,1124 4.443,1125 26.446,1126 2.777,1127 15.714,1128 19.576,1129 1.939,1130 31.821,1131 15.626,1132 1.157,1133 3.294,1134 28.255,1135 2.372,1136 16.752,1137 20.824,1139 34.018,1140 16.658,1141 6544,1142 10844,1143 17.682,1144 29.012,1145 38.189,1146 39.16,1147 38.93,1148 37.817,1149 37.909,1150 51.66,1151 3.107,1152 102.353,1153 37.396,1154 5.168,1155 5.589,1156 6.017,1157 4.977,1158 4.947,1159 6.926,1160 2.162,1161 15.711,1162 4.932,1163 8.553,1164 1.469,1165 1.506,1166 1.497,1167 1.454,1168 1.458,1169 1.987,1170 0.12,1171 3.937,1172 1.438,1173 4.014,1174 4.041,1175 3.962,1176 3.95,1177 7.429,1178 3.949,1179 3.916,1180 3.947,1181 3.847,1182 3.855,1183 6.456,1184 3.849,1185 3.745,1186 3.782,1187 3.685,1188 3.638,1189 4.928,1190 3.644,1191 3.495,1192 3.549,1193 3.388,1194 3.304,1195 4.75,1196 3.315,1197 3.183,1198 3.208,1199 3.099,1200 2.97,1201 4.645,1202 2.996,1203 2.854,1204 2.925,1205 2.687,1206 2.735,1207 4.027,1208 2.715,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.783,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.674,1220 2.715,1221 0.165,1222 0.138,1223 0.239,1224 0.152,1225 0.113,1226 4.289,1227 0.151,1228 3.589,1229 0.042,1230 6.215,1231 0.356,1232 3.942,1233 0.113,1234 2.947,1235 3.926,1236 1.081,1237 9.268,1238 2.932,1239 1.979,1240 1.957,1241 2.072,1242 2.063,1243 1.21,1244 2.066,1245 1.917,1246 1.888,1247 2.039,1248 2.006,1249 1.161,1250 2.018,1251 1.717,1252 1.683,1253 1.838,1254 1.85,1255 0.872,1256 1.849,1257 1.445,1258 1.391,1259 1.666,1260 1.672,1261 0.821,1262 1.672,1263 1.075,1264 1.05,1265 1.236,1266 1.358,1267 0.257,1268 1.318,1269 0.886,1270 0.821,1271 1.181,1272 1.062,1273 0.218,1274 1.107,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 3.97,1289 5.242,1291 6.725,1293 8.291,1295 9.896,1302 9.547,1303 -0.148,1305 2.86,1308 -0.418,1314 27.687,1315 60.98,1316 128.808,1317 163.669,1318 193.722,1319 200.477,1320 200.477,1321 40.717,1322 6.778,1323 62.22,1324 62.22,1325 18,1326 12.108,1327 4.322,1328 3.459,1329 39.431,1330 92,1331 84,1332 0.209,1333 172.744,1334 297.96,1335 413.256,1336 7460,1338 16.778,1339 0.699,1340 0.546,1341 16.778,1342 13.093,1343 11.775,1344 0.453,1345 0.298,1346 7.678,1347 11.487,1348 7.517,1349 6.254,1350 11.775,1351 7.748,1352 9.852,1353 0.29,1354 0.16,1355 9.852,1356 5.433,1357 8.453,1358 0.192,1359 0.088,1360 8.453,1361 3.851,1362 6.759,1363 0.128,1364 0.048,1365 6.759,1366 2.52,1367 5.364,1368 0.084,1369 0.025,1370 5.364,1371 1.631,1372 0.332,1373 72.844,1374 0.238,1375 23.782,1376 0.561,1377 120,1378 337.863,1379 127.095,1380 332.924,1381 450.74,1382 312,1383 138,1384 319.236,1385 144.875,1386 328.563,1387 473.98,1388 310,1389 5.1}
{0 CHEMBL1974310,1 1.813,2 7.684,3 2.559,4 6.547,5 72.996,6 9.726,7 0.762,8 3.472,9 3.556,10 3.316,11 3.182,12 4.775,13 3.146,14 3.908,15 4.005,16 3.728,17 3.578,18 5.286,19 3.518,20 4.104,21 4.227,22 3.763,23 3.615,24 5.435,25 3.552,26 4.073,27 4.226,28 3.538,29 3.526,30 5.315,31 3.445,32 3.995,33 4.184,34 3.421,35 3.414,36 5.157,37 3.322,38 3.915,39 4.084,40 3.367,41 3.257,42 5.306,43 3.175,44 3.717,45 3.926,46 2.986,47 2.875,48 5.15,49 2.794,50 3.319,51 3.518,52 2.744,53 2.252,54 4.933,55 2.31,56 0.073,57 0.446,58 3.148,59 2.307,60 11.635,61 2.227,62 0.149,63 0.702,64 5.863,65 3.98,66 23.707,67 3.961,68 0.259,69 0.886,70 12.33,71 5.586,72 39.299,73 5.088,74 0.23,75 0.818,76 11.042,77 5.326,78 39.324,79 5.295,80 0.176,81 0.71,82 10.789,83 4.918,84 25.787,85 5.579,86 0.239,87 0.699,88 10.454,89 4.571,90 32.917,91 4.52,92 0.27,93 0.642,94 10.773,95 4.057,96 37.363,97 3.941,98 0.211,99 0.462,100 7.01,101 2.555,102 33.751,103 2.011,104 11,105 30,106 0.343,107 0.658,108 0.777,109 0.842,110 0.842,111 0.842,112 3.012,113 0.914,114 -3.43,115 -3.41,116 -3.26,119 50,142 5,143 3,144 1,145 2,152 2,158 1,163 1,164 1,165 1,172 7,175 1,177 1,178 1,183 10,188 5,193 2,196 8,198 2,200 4,205 1,208 5,210 1,213 3,218 1,221 4,223 1,224 1,225 1,227 1,228 1,230 1,233 2,235 1,238 2,243 2,248 2,250 2,255 2,260 2,276 405,277 12.723,278 12.723,279 12.723,280 12.723,281 12.723,282 10.737,283 4.452,284 7.396,285 12.987,286 10.36,287 10.36,288 10.36,289 10.36,290 10.36,291 7.363,292 3.014,293 3.509,294 10.847,295 2.994,296 1.331,297 0.7,298 0.357,299 0.357,300 0.357,301 3.688,305 1,306 1,307 312,308 2.449,311 35.44,312 97.273,315 68.146,319 1.175,320 23.227,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 41.5,332 146,333 4.628,334 3.519,335 6.728,336 4.156,337 3.189,338 4.573,339 0.98,340 10.992,341 3.094,342 4.108,343 3.126,344 6.005,345 3.691,346 2.728,347 3.708,349 8.554,350 2.611,351 3.826,352 2.882,353 5.599,354 3.389,355 2.418,356 3.273,358 7.126,359 2.337,360 3.534,361 2.443,362 5.041,363 3.09,364 2.143,365 2.897,367 6.019,368 2.003,369 3.003,370 1.758,371 4.577,372 2.458,373 1.505,374 2.233,376 4.444,377 1.424,378 2.948,379 1.554,380 4.023,381 2.403,382 1.463,383 2.143,385 3.471,386 1.358,387 2.543,388 1.319,389 3.669,390 2,391 1,392 1.5,394 2.459,395 1,396 2.5,397 1,398 3.414,399 1.958,400 1,401 1.466,403 2.275,404 0.933,405 1.985,406 0.608,407 3.265,408 1.41,409 0.517,410 0.749,412 1.389,413 0.451,414 1.201,415 0.262,416 2.554,417 0.765,418 -0.15,419 -0.194,421 -0.338,422 -0.134,423 0.803,424 0.115,425 2.272,426 0.293,427 -0.628,428 -0.85,430 -1.565,431 -0.564,432 0.5,433 -0.496,434 2,435 0.051,436 -1,437 -1.269,439 -2,440 -0.913,441 0.5,442 -1,443 2,445 -1,446 -1.5,448 -2.873,449 -1,450 0.479,451 -1,452 1.826,453 -0.064,454 -1,455 -1.5,457 -3,458 -1.017,459 0.084,460 -1.009,461 1.555,462 -0.274,463 -1.21,464 -1.613,466 -3.119,467 -1.113,468 9.252,469 0.487,470 0.524,471 0.028,472 27.25,473 1.434,474 15.5,475 0.816,476 11.75,477 0.618,478 11.858,479 0.624,480 18.948,481 0.677,482 17.596,483 0.926,484 5.429,485 0.286,486 3.719,487 0.196,488 0.11,490 0.378,494 1,496 0.608,497 0.747,498 0.656,499 0.676,500 0.607,501 0.667,502 0.589,503 0.796,504 0.764,505 0.791,506 0.518,507 0.785,508 0.986,509 1.07,510 1.15,511 1.215,512 1.008,513 1.066,514 0.886,515 0.976,516 1.112,517 1.085,518 0.879,519 1.138,520 0.519,521 0.797,522 0.84,523 0.925,524 0.448,525 0.999,526 0.843,527 0.99,528 1.173,529 1.172,530 0.86,531 1.174,532 1.294,533 1.14,534 1.283,535 1.184,536 1.278,537 1.158,538 2.187,539 1.695,540 0.899,541 1.119,542 2.355,543 0.996,544 4,546 2.444,547 1.257,548 1.081,549 0.58,550 0.504,551 0.202,552 0.121,553 0.071,554 3046,555 11490,556 2.081,557 32.1,559 5,561 2,562 2,567 1.606,568 1.932,569 2.951,570 0.393,572 1,574 1,577 50.774,578 1.813,579 3.477,580 4.107,581 4.45,582 4.45,583 4.45,584 2.42,585 3.787,586 4.218,587 3.038,588 519.437,589 7.2,590 4946.57,591 1,592 1,594 1,595 134.606,596 1.462,597 4.171,598 0.19,600 0.081,601 0.043,602 0.043,603 0.026,604 0.027,605 0.017,606 0.015,607 0.024,608 0.467,609 0.83,610 1,611 0.868,612 80.946,613 -0.074,614 0.096,615 0.017,616 0.136,617 -0.096,618 0.104,619 0.033,620 0.07,621 0.058,622 0.119,623 0.081,624 0.052,625 -0.094,626 -0.112,627 -0.117,628 -0.181,629 -0.108,630 -0.141,631 -0.118,632 -0.097,633 -0.201,634 -0.146,635 -0.126,636 -0.186,637 0.021,638 -0.071,639 0.069,640 -0.011,641 0.047,642 0.037,643 0.019,644 -0.127,645 -0.135,646 -0.183,647 0.002,648 -0.197,649 -0.035,650 -0.037,651 -0.124,652 -0.118,653 -0.028,654 -0.087,655 -0.255,656 -0.363,657 0.167,658 -0.131,659 -0.314,660 0.004,661 2.119,662 4.952,663 0.789,664 12.188,665 1.023,666 1.112,667 2.199,668 4.837,669 0.753,670 3.091,671 3.434,672 3.714,673 3.989,674 4.248,675 4.331,676 4.394,677 4.454,678 4.369,679 4.369,680 4.575,681 0.73,682 272.32,683 3.091,684 4.635,685 5.493,686 6.382,687 7.266,688 8.161,689 9.055,690 9.953,691 10.851,692 11.751,693 7.1,700 1,703 1,708 2,709 7,710 1,713 1,714 4,716 16,722 1,734 1,735 28,737 17,738 1,739 21,741 30,742 14,743 13,744 2,745 4,746 1,748 3,749 4,762 14,767 1,772 1,776 1,780 1,781 1,783 9,784 4,785 2,786 5,787 1,792 2,797 0.667,798 1,809 1,815 1,816 2,819 1,843 2,845 1,849 1,851 19,852 1,869 1,873 1,874 3.6,877 1,881 9.833,882 5.093,883 4.111,884 1.516,886 3.268,887 1.49,888 1.046,889 2.937,890 9.942,891 3.434,892 4.107,893 4.761,894 5.418,895 6.019,896 6.405,897 6.83,898 7.264,899 7.472,900 7.808,901 1,902 29,903 6.987,905 3.054,906 8.105,907 12.919,909 10.696,911 2.605,912 49.5,916 82.398,917 121.628,918 49.683,920 25.145,921 14.96,922 31.278,923 90.35,924 107.543,925 64.643,927 32.897,928 47.381,929 70.177,930 36.16,931 17.064,932 90.133,934 82.398,935 140.033,936 40.105,937 31.278,939 97.358,940 25.145,943 50.992,944 72.255,945 16.786,946 31.278,947 97.358,948 74.828,949 121.628,952 82.398,953 56.152,954 65.476,956 89.788,957 82.398,958 89.788,959 121.628,961 0.589,962 0.341,963 0.18,964 0.108,965 16,966 7,967 0.067,968 2,969 1,970 1.133,971 3.102,972 144.133,973 0.133,974 15,975 76.711,977 1,981 12.092,982 4.614,983 2.185,984 1.788,985 89.788,986 11.321,987 4.149,990 1.306,991 1.924,993 32.897,994 293.813,995 30,1000 11.226,1004 -0.453,1007 28.654,1008 31.127,1009 0.377,1010 0.723,1011 0.854,1012 0.926,1013 0.926,1014 0.926,1015 4.654,1016 1,1017 5.493,1018 2.459,1019 4.111,1020 4.792,1021 1.072,1022 6.323,1023 4.025,1024 5.897,1025 0.517,1026 7.066,1027 2.275,1028 3.761,1029 4.677,1031 7.265,1032 3.64,1033 7.223,1034 -0.15,1035 8.738,1036 1.389,1037 5.72,1038 7.094,1039 1.045,1040 10.37,1041 5.567,1042 8.588,1043 -0.628,1044 10.468,1045 -0.338,1046 6.176,1047 7.817,1049 12.152,1050 5.986,1051 9.984,1052 -1,1053 12.236,1054 -1.565,1055 7.63,1056 9.703,1057 1.019,1058 14.783,1059 7.418,1060 11.404,1061 -1,1062 14.03,1063 -2,1064 8.45,1065 10.829,1067 16.914,1068 8.202,1069 12.841,1070 -1,1071 15.843,1072 -2.873,1073 9.707,1074 12.495,1075 0.993,1076 19.386,1077 9.438,1078 3.189,1079 -1.21,1080 17.672,1081 -3,1082 10.7,1083 13.823,1085 21.666,1086 10.396,1087 2.728,1088 10.992,1089 19.512,1090 -3.119,1091 11.88,1092 15.395,1093 0.967,1094 24.084,1095 11.553,1096 2.418,1097 8.554,1098 21.361,1099 4.573,1100 12.954,1101 16.822,1103 26.428,1104 12.595,1105 2.143,1106 7.126,1107 23.219,1108 3.708,1109 14.108,1110 18.357,1111 0.942,1112 28.828,1113 13.724,1114 1.505,1115 6.019,1116 25.083,1117 3.273,1118 15.221,1119 19.83,1121 31.2,1122 14.806,1123 1.463,1124 4.444,1125 26.952,1126 2.897,1127 16.368,1128 21.352,1129 0.917,1130 33.596,1131 15.927,1132 1,1133 3.471,1134 28.826,1135 2.233,1136 17.5,1137 22.848,1139 35.98,1140 17.03,1141 3023,1142 5949,1143 13.929,1144 21.097,1145 32.434,1146 32.839,1147 33.212,1148 31.968,1149 31.928,1150 45.084,1151 1.96,1152 93.458,1153 30.422,1154 5.269,1155 5.519,1156 6.246,1157 5.263,1158 5.189,1159 7.573,1160 1.96,1161 18.197,1162 5.094,1163 9.167,1164 1.544,1165 1.564,1166 1.582,1167 1.522,1168 1.52,1169 2.147,1170 0.093,1171 4.45,1172 1.449,1173 4.105,1174 4.114,1175 4.339,1176 4.111,1177 8.201,1178 4.069,1179 3.839,1180 3.859,1181 3.854,1182 3.795,1183 7.437,1184 3.776,1185 3.475,1186 3.515,1187 3.469,1188 3.298,1189 4.975,1190 3.309,1191 3.068,1192 3.132,1193 3.173,1194 2.921,1195 4.866,1196 2.91,1197 2.979,1198 3.021,1199 2.917,1200 2.759,1201 4.579,1202 2.794,1203 2.854,1204 2.925,1205 2.687,1206 2.735,1207 4.249,1208 2.715,1209 2.612,1210 2.669,1211 2.652,1212 2.491,1213 3.674,1214 2.468,1215 2.341,1216 2.43,1217 2.25,1218 2.074,1219 3.654,1220 2.017,1221 0.22,1222 0.168,1223 0.32,1224 0.198,1225 0.152,1226 4.628,1227 0.218,1228 3.519,1229 0.047,1230 6.728,1231 0.523,1232 4.156,1233 0.147,1234 3.189,1235 4.573,1236 0.98,1237 10.992,1238 3.094,1239 1.979,1240 1.961,1241 2.048,1242 2.049,1243 1.19,1244 2.051,1245 1.726,1246 1.703,1247 1.81,1248 1.828,1249 0.914,1250 1.828,1251 1.534,1252 1.538,1253 1.538,1254 1.696,1255 0.685,1256 1.68,1257 0.976,1258 0.944,1259 1.19,1260 1.228,1261 0.223,1262 1.242,1263 0.9,1264 0.835,1265 1.181,1266 1.062,1267 0.218,1268 1.107,1269 0.886,1270 0.821,1271 1.081,1272 1.058,1274 1.073,1275 0.701,1276 0.652,1277 0.868,1278 0.886,1280 0.913,1281 0.399,1282 0.324,1283 0.62,1284 0.677,1286 0.684,1287 3.761,1289 5.094,1290 2.398,1291 6.621,1292 4.727,1293 8.237,1294 6.862,1295 9.9,1299 12.952,1301 5.288,1314 20.435,1315 50.774,1316 97.345,1317 114.996,1318 124.606,1319 124.606,1320 124.606,1321 30.446,1322 6.673,1323 55.98,1324 84.22,1325 17,1326 12.274,1327 4.17,1328 3.322,1329 27.698,1330 51,1331 55,1332 0.276,1333 129.378,1334 215.23,1335 307.442,1336 5902,1337 3.6,1338 13.405,1339 0.706,1340 0.557,1341 12.889,1342 10.577,1343 9.148,1344 0.436,1345 0.305,1346 5.588,1347 8.4,1348 5.408,1349 4.455,1350 9.162,1351 6.399,1352 8.514,1353 0.284,1354 0.172,1355 8.535,1356 5.164,1357 7.057,1358 0.176,1359 0.098,1360 7.522,1361 3.929,1362 5.732,1363 0.108,1364 0.054,1365 6.409,1366 2.848,1367 4.894,1368 0.071,1369 0.028,1370 5.402,1371 1.951,1372 0.414,1373 61.202,1374 0.268,1375 18.624,1376 0.814,1377 102,1378 367.664,1379 136.083,1380 355.85,1381 473.88,1382 330,1383 121,1384 322.67,1385 152.564,1386 340.153,1387 497.23,1388 320,1389 5.4}
{0 CHEMBL1974328,1 1.521,2 9.48,3 2.485,4 6.173,5 98.333,6 6.949,7 0.444,8 3.978,9 4.13,10 3.469,11 3.465,12 5.07,13 3.442,14 4.508,15 4.703,16 3.821,17 3.861,18 5.572,19 3.802,20 4.827,21 5.075,22 3.884,23 3.993,24 5.849,25 3.901,26 4.872,27 5.158,28 3.793,29 3.926,30 5.866,31 3.816,32 4.746,33 5.021,34 3.723,35 3.841,36 5.749,37 3.759,38 4.636,39 4.888,40 3.771,41 3.808,42 5.725,43 3.743,44 4.598,45 4.825,46 3.677,47 3.78,48 5.71,49 3.717,50 4.603,51 4.846,52 3.556,53 3.752,54 5.642,55 3.652,56 0.061,57 0.769,58 11.132,59 3.9,60 12.501,61 5.91,62 0.172,63 1.183,64 19.703,65 6.958,66 29.874,67 10.542,68 0.412,69 1.437,70 28.761,71 8.628,72 53.297,73 13.641,74 0.467,75 1.384,76 30.968,77 8.392,78 59.772,79 14.024,80 0.37,81 1.257,82 27.226,83 6.828,84 48.534,85 11.625,86 0.313,87 1.194,88 23.811,89 6.579,90 42.495,91 10.828,92 0.323,93 1.154,94 22.872,95 5.892,96 45.95,97 9.63,98 0.24,99 1.086,100 23,101 6.804,102 40.326,103 10.68,104 18,105 37,106 0.26,107 0.62,108 0.796,109 0.865,110 0.886,111 0.9,112 3.267,113 0.95,114 -3.4,115 -3.38,116 -3.23,119 36.7,120 1,121 4,127 2,142 4,143 1,144 1,145 1,146 1,147 2,158 1,163 2,164 2,165 2,172 8,177 1,178 3,180 4,183 8,185 1,187 2,190 1,191 3,192 1,193 6,195 1,196 4,198 2,199 1,200 3,202 1,203 2,204 2,205 4,207 1,208 1,210 1,213 7,215 1,216 1,225 9,227 1,228 2,229 1,230 5,232 1,235 2,238 5,242 1,243 6,245 1,248 2,250 3,255 6,258 2,260 3,264 2,266 1,267 1,268 1,269 4,271 2,272 6,274 4,275 1,276 966,277 16.654,278 16.654,279 16.654,280 16.654,281 16.654,282 15.01,283 25.341,284 9.904,285 16.872,286 13.339,287 13.339,288 13.339,289 13.339,290 13.339,291 10.872,292 44.488,293 4.725,294 13.741,295 4.094,296 1.984,297 0.954,298 0.546,299 0.424,300 0.342,301 3.948,304 1,305 1,306 1,307 501,308 2.915,312 253.137,319 1.462,320 24.918,322 1,323 0.75,324 0.83,325 0.83,326 0.9,327 1,328 0.83,329 1,330 0.88,331 54,332 237,333 4.381,334 3.542,335 6.438,336 3.988,337 3.031,338 4.022,339 0.98,340 9.925,341 2.903,342 4.025,343 3.011,344 6.058,345 3.782,346 2.813,347 3.631,348 0.4,349 8.729,350 2.724,351 3.87,352 2.876,353 5.525,354 3.607,355 2.619,356 3.09,357 0.4,358 7.463,359 2.587,360 3.579,361 2.632,362 5.3,363 3.243,364 2.282,365 2.709,367 6.702,368 2.182,369 3.348,370 2.305,371 4.888,372 3.006,373 2.032,374 2.59,376 5.552,377 1.972,378 3.044,379 2.02,380 4.575,381 2.632,382 1.652,383 2.196,385 4.548,386 1.609,387 2.683,388 1.52,389 4.131,390 2.405,391 1.414,392 1.738,394 3.667,395 1.4,396 2.642,397 1.447,398 3.695,399 2.386,400 1.414,401 1.68,403 2.971,404 1.372,405 2.433,406 1.407,407 3.597,408 2.182,409 1.185,410 1.423,412 2.718,413 1.18,414 2.414,415 1.202,416 3.481,417 2.075,418 1.131,419 1.414,421 2.585,422 1.058,423 1.447,424 0.479,425 2.95,426 1.18,427 0.229,428 0.252,430 0.558,431 0.217,432 1.271,433 0.285,434 2.94,435 1.004,436 0.063,437 0.077,439 0.17,440 0.059,441 0.948,442 0.071,443 2.295,444 0.628,445 -0.327,446 -0.372,448 -0.773,449 -0.309,450 0.85,451 -0.132,452 2.175,453 0.565,454 -0.421,455 -0.519,457 -0.976,458 -0.417,459 0.659,460 -0.193,461 2,462 0.285,463 -0.679,464 -0.758,466 -1.705,467 -0.649,468 11.733,469 0.469,470 0.647,471 0.026,472 30.75,473 1.23,474 14.5,475 0.58,476 16.25,477 0.65,478 21.353,479 0.854,480 27.867,481 0.569,482 22.213,483 0.889,484 5.734,485 0.229,486 6.291,487 0.252,488 0.139,490 0.341,496 0.977,497 1.331,498 0.905,499 1.059,500 0.86,501 0.972,502 0.609,503 1.331,504 0.866,505 1.206,506 0.476,507 1.092,508 0.86,509 1.095,510 0.994,511 1.081,512 0.797,513 1.061,514 0.798,515 0.982,516 0.892,517 0.919,518 0.646,519 0.91,520 1.28,521 0.928,522 0.983,523 0.783,524 1.042,525 0.819,526 0.954,527 1.067,528 0.874,529 0.914,530 0.757,531 0.876,532 1.665,533 1.088,534 1.275,535 1.021,536 1.544,537 1.074,538 1.326,539 1.107,540 1.156,541 1.13,542 1.342,543 1.119,544 5.5,545 0.107,546 2.444,547 1.813,548 1.338,549 0.764,550 0.526,551 0.477,552 0.312,553 0.113,554 6797,555 16018,556 2.038,557 49,558 7,559 6,561 1,562 6,564 4,567 1.684,568 1.899,569 3.233,570 3.49,571 1,572 1,577 74.513,578 1.521,579 3.631,580 4.661,581 5.069,582 5.191,583 5.273,584 2.668,585 4.564,586 4.616,587 3.401,588 1020.17,589 8.004,590 12470.9,592 1,594 1,595 275.121,596 1.44,597 4.569,598 0.204,599 0.008,600 0.066,601 0.049,602 0.041,603 0.024,604 0.015,605 0.016,606 0.012,607 0.006,608 0.44,609 0.17,610 1,611 0.795,612 120.143,613 -0.147,614 -0.015,615 0.012,616 0.073,617 -0.13,618 0.071,619 0.174,620 -0.16,621 0.061,622 -0.109,623 0.186,624 -0.054,625 0.125,626 -0.044,627 -0.019,628 -0.097,629 0.054,630 -0.087,631 0.163,632 -0.019,633 0.102,634 0.008,635 0.139,636 0.042,637 -0.163,638 0.075,639 0.026,640 0.129,641 -0.095,642 0.113,643 0.072,644 -0.013,645 0.114,646 0.046,647 0.103,648 0.084,649 -0.322,650 0.028,651 -0.268,652 -0.077,653 -0.245,654 -0.147,655 -0.196,656 -0.083,657 -0.173,658 -0.138,659 -0.116,660 -0.145,661 2.288,662 4.672,663 0.72,664 21.414,665 0.998,666 1.142,667 2.168,668 4.699,669 0.64,670 3.332,671 3.638,672 3.85,673 4.078,674 4.277,675 4.304,676 4.357,677 4.522,678 4.564,679 4.543,680 5.908,681 0.604,682 340.48,683 3.332,684 4.86,685 5.687,686 6.55,687 7.393,688 8.26,689 9.11,690 9.979,691 10.832,692 11.704,693 12.2,694 1,698 1,700 1,701 1,703 2,709 5,710 2,714 5,716 12,722 1,728 2,735 49,737 13,738 1,739 27,741 51,742 18,743 10,744 2,745 4,746 1,748 3,749 3,754 1,757 6,760 6,762 11,763 7,767 1,772 1,776 1,779 1,780 1,783 24,784 7,785 6,786 7,792 6,797 1,798 1,806 1,816 3,836 1,843 3,847 1,851 25,852 2,858 4,860 2,863 2,874 2,877 1,881 13.167,882 8.567,883 5.5,884 2.932,886 2.265,887 1.325,888 0.974,889 5.512,890 9.238,891 3.555,892 4.094,893 4.57,894 5.081,895 5.571,896 5.753,897 5.993,898 6.366,899 6.637,900 6.886,901 1,902 37,903 9.243,905 3.909,906 7.767,907 17.686,909 14.531,911 2.267,912 56.667,915 1,916 211.88,917 83.975,918 135.387,920 25.145,923 83.975,924 237.025,925 135.387,926 8.825,927 75.933,928 37.905,929 93.202,930 35.757,931 4.656,932 200.109,934 211.88,935 219.362,936 25.145,939 164.795,940 72.229,943 114.573,944 53.208,945 51.582,947 211.88,948 160.532,949 83.975,952 211.88,953 28.198,954 55.778,955 36.022,956 124.51,957 211.88,958 160.532,959 83.975,961 0.58,962 0.327,963 0.172,964 0.093,965 17,966 8,967 0.098,968 5,970 1,971 3.67,972 201.566,974 18,975 114.096,981 17.648,982 7.809,983 4.469,985 160.532,986 9.315,987 8.691,991 2.958,993 101.816,994 456.387,995 34,1000 11.672,1004 -0.622,1007 48.891,1008 55.936,1009 0.271,1010 0.647,1011 0.83,1012 0.903,1013 0.925,1014 0.939,1015 4.787,1016 1.414,1017 5.666,1018 3.667,1019 4.317,1020 4.779,1021 1.27,1022 6.435,1023 4.255,1024 5.967,1025 1.185,1026 7.201,1027 2.971,1028 3.892,1029 4.527,1031 7.239,1032 3.802,1033 7.253,1034 1.131,1035 8.832,1036 2.718,1037 5.872,1038 6.863,1039 1.08,1040 10.303,1041 5.742,1042 8.566,1043 0.229,1044 10.519,1045 2.585,1046 6.217,1047 7.372,1049 11.914,1050 6.052,1051 9.909,1052 0.063,1053 12.242,1054 0.558,1055 7.69,1056 9.234,1057 1.025,1058 14.486,1059 7.489,1060 11.273,1061 -0.327,1062 13.99,1063 0.17,1064 8.404,1065 10.118,1067 16.452,1068 8.164,1069 12.652,1070 -0.421,1071 15.755,1072 -0.773,1073 9.657,1074 11.761,1075 0.994,1076 18.838,1077 9.382,1078 3.031,1079 -0.679,1080 17.535,1081 -0.976,1082 10.556,1083 12.85,1085 20.969,1086 10.238,1087 2.813,1088 9.925,1089 19.327,1090 -1.705,1091 11.709,1092 14.377,1093 0.967,1094 23.283,1095 11.356,1096 2.619,1097 8.729,1098 21.127,1099 4.022,1100 12.699,1101 15.585,1103 25.492,1104 12.302,1105 2.282,1106 7.463,1107 22.935,1108 3.631,1109 13.81,1110 17.047,1111 0.942,1112 27.781,1113 13.375,1114 2.032,1115 6.702,1116 24.749,1117 3.09,1118 14.847,1119 18.325,1121 30.027,1122 14.367,1123 1.652,1124 5.552,1125 26.568,1126 2.709,1127 15.941,1128 19.75,1129 0.917,1130 32.308,1131 15.421,1132 1.414,1133 4.548,1134 28.392,1135 2.59,1136 17.002,1137 21.07,1139 34.573,1140 16.437,1141 6664,1142 10395,1143 17.8,1144 31.341,1145 40.051,1146 40.58,1147 41.38,1148 39.687,1149 39.732,1150 49.645,1151 3.56,1152 111.177,1153 38.527,1154 5.381,1155 5.542,1156 6.126,1157 5.06,1158 5.031,1159 7.022,1160 1.96,1161 16.567,1162 4.903,1163 12.707,1164 1.483,1165 1.503,1166 1.533,1167 1.47,1168 1.472,1169 1.839,1170 0.132,1171 4.118,1172 1.427,1173 3.99,1174 4.039,1175 3.94,1176 3.879,1177 7.437,1178 3.882,1179 3.886,1180 3.934,1181 3.8,1182 3.771,1183 5.031,1184 3.771,1185 3.792,1186 3.839,1187 3.708,1188 3.64,1189 4.975,1190 3.66,1191 3.368,1192 3.43,1193 3.293,1194 3.123,1195 4.842,1196 3.151,1197 3.223,1198 3.321,1199 3.071,1200 3.038,1201 4.732,1202 3.029,1203 3.206,1204 3.298,1205 3.01,1206 2.99,1207 4.194,1208 2.98,1209 3.118,1210 3.208,1211 2.928,1212 2.903,1213 4.098,1214 2.903,1215 2.999,1216 3.083,1217 2.844,1218 2.821,1219 3.95,1220 2.821,1221 0.162,1222 0.131,1223 0.238,1224 0.148,1225 0.112,1226 4.381,1227 0.149,1228 3.542,1229 0.036,1230 6.438,1231 0.368,1232 3.988,1233 0.108,1234 3.031,1235 4.022,1236 0.98,1237 9.925,1238 2.903,1239 1.927,1240 1.894,1241 2.087,1242 2.072,1243 1.465,1244 2.072,1245 1.88,1246 1.826,1247 2.039,1248 2.015,1249 1.135,1250 2.026,1251 1.731,1252 1.689,1253 1.805,1254 1.909,1255 0.859,1256 1.892,1257 1.272,1258 1.209,1259 1.547,1260 1.563,1261 0.795,1262 1.54,1263 1.214,1264 1.137,1265 1.526,1266 1.483,1267 0.73,1268 1.497,1269 1.197,1270 1.105,1271 1.499,1272 1.446,1273 0.597,1274 1.479,1275 1.088,1276 1.013,1277 1.343,1278 1.365,1279 0.285,1280 1.386,1281 0.974,1282 0.902,1283 1.212,1284 1.215,1285 0.157,1286 1.226,1287 4.007,1289 5.313,1291 6.81,1293 8.394,1295 10.019,1297 1.994,1301 11.615,1303 4.304,1305 6.481,1308 0.258,1314 29.584,1315 74.513,1316 177.896,1317 228.366,1318 248.366,1319 254.366,1320 258.366,1321 46.151,1322 6.974,1323 118.95,1324 118.95,1325 18,1326 12.25,1327 3.807,1328 3,1329 41.558,1330 86,1331 81,1332 0.231,1333 185.523,1334 317.39,1335 444.435,1336 9253,1338 17.811,1339 0.712,1340 0.573,1341 17.811,1342 14.327,1343 12.025,1344 0.445,1345 0.317,1346 8.453,1347 11.632,1348 8.257,1349 6.898,1350 12.025,1351 8.554,1352 10.978,1353 0.297,1354 0.176,1355 10.978,1356 6.51,1357 8.612,1358 0.187,1359 0.097,1360 8.612,1361 4.439,1362 7.121,1363 0.123,1364 0.054,1365 7.121,1366 3.114,1367 5.523,1368 0.078,1369 0.03,1370 5.523,1371 2.108,1372 0.357,1373 74.983,1374 0.237,1375 24.154,1376 0.648,1377 128,1378 338.316,1379 140.261,1380 335.515,1381 458.69,1382 312,1383 147,1384 341.622,1385 159.374,1386 347.898,1387 504.29,1388 327,1389 6.9}
{0 CHEMBL1974416,1 1.662,2 10.231,3 3.746,4 14.036,5 93.764,6 8.958,7 0.759,8 3.801,9 3.901,10 3.515,11 3.418,12 5.089,13 3.429,14 4.262,15 4.379,16 3.891,17 3.793,18 5.586,19 3.794,20 4.515,21 4.681,22 3.981,23 3.856,24 5.977,25 3.852,26 4.5,27 4.683,28 3.874,29 3.759,30 5.968,31 3.753,32 4.425,33 4.61,34 3.759,35 3.68,36 5.878,37 3.659,38 4.322,39 4.52,40 3.634,41 3.621,42 5.554,43 3.591,44 4.278,45 4.484,46 3.6,47 3.514,48 5.63,49 3.496,50 4.127,51 4.324,52 3.446,53 3.371,54 5.488,55 3.357,56 0.106,57 0.694,58 4.914,59 3.179,60 11.002,61 3.264,62 0.22,63 1.105,64 8.507,65 5.267,66 22.486,67 5.587,68 0.53,69 1.508,70 15.056,71 7.19,72 79.355,73 7.79,74 0.604,75 1.337,76 16.363,77 6.873,78 86.804,79 7.349,80 0.638,81 1.178,82 15.665,83 6.412,84 96.419,85 7.025,86 0.338,87 1.065,88 13.596,89 5.715,90 40.457,91 6.5,92 0.427,93 1.069,94 14,95 5.581,96 48.724,97 6.432,98 0.384,99 0.93,100 12.146,101 4.933,102 54.526,103 5.365,104 10,105 41,106 0.289,107 0.574,108 0.726,109 0.844,110 0.883,111 0.883,112 3.304,113 0.818,114 -5.29,115 -5.17,116 -4.84,119 51.3,142 9,143 4,144 3,145 1,151 1,158 1,161 1,172 12,175 2,178 2,180 4,183 12,188 3,191 1,193 4,196 9,200 3,205 4,208 6,212 1,213 5,217 1,218 4,221 5,225 4,230 3,233 4,238 3,241 1,243 3,246 4,250 3,255 2,258 5,264 2,269 1,272 6,276 954,277 17.706,278 17.706,279 17.706,280 17.706,281 17.706,282 14.94,283 9.723,284 10.379,285 17.943,286 14.294,287 14.294,288 14.294,289 14.294,290 14.294,291 10.213,292 12.115,293 4.908,294 14.73,295 3.623,296 1.983,297 1.11,298 0.43,299 0.205,300 0.205,301 4.002,304 1,305 1,306 1,307 582,308 2.828,311 58.246,312 229.017,315 102.957,319 1.556,320 36.574,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 57.5,332 266,333 4.611,334 3.652,335 6.719,336 4.155,337 3.173,338 4.555,339 1.058,340 10.945,341 3.119,342 4.413,343 3.219,344 6.553,345 4.021,346 3.05,347 4.07,349 10.142,350 2.958,351 3.964,352 3.157,353 5.774,354 3.548,355 2.575,356 3.539,358 7.896,359 2.503,360 3.745,361 2.568,362 5.558,363 3.333,364 2.371,365 3.139,367 7.142,368 2.262,369 3.485,370 2.279,371 5.189,372 3.05,373 2.079,374 2.831,376 6.194,377 2.005,378 3.218,379 2.178,380 4.635,381 2.712,382 1.741,383 2.555,385 4.65,386 1.687,387 2.871,388 1.742,389 4.225,390 2.386,391 1.414,392 2.035,394 3.571,395 1.365,396 2.825,397 1.66,398 4.028,399 2.323,400 1.353,401 1.973,403 3.278,404 1.306,405 2.76,406 1.341,407 3.817,408 2.266,409 1.288,410 1.795,412 3.129,413 1.241,414 2.558,415 1.1,416 3.501,417 2.029,418 1.061,419 1.576,421 2.583,422 1.023,423 2.5,424 1,425 3.247,426 2,427 1,428 1.5,430 2.136,431 1,432 2.057,433 0.929,434 3.217,435 1.523,436 0.583,437 0.848,439 1.446,440 0.546,441 1.341,442 0.681,443 2.864,444 0.977,445 0.126,446 0.145,448 0.287,449 0.104,450 1.211,451 0.357,452 2.371,453 0.786,454 -0.184,455 -0.241,457 -0.465,458 -0.176,459 0.894,460 -0.064,461 2.363,462 0.436,463 -0.536,464 -0.716,466 -1.248,467 -0.502,468 12.105,469 0.466,470 0.627,471 0.024,472 38.75,473 1.49,474 22,475 0.846,476 16.75,477 0.644,478 16.106,479 0.619,480 26.295,481 0.674,482 29.202,483 1.123,484 8.025,485 0.309,486 4.606,487 0.177,488 0.075,490 0.372,494 2,496 0.591,497 0.874,498 0.612,499 0.832,500 0.524,501 0.753,502 0.605,503 0.967,504 0.74,505 1.017,506 0.599,507 0.959,508 0.804,509 1.018,510 0.869,511 1.074,512 0.775,513 1.022,514 0.99,515 0.975,516 1.016,517 1.004,518 0.961,519 1.007,520 0.879,521 0.812,522 1.038,523 0.928,524 0.93,525 1.008,526 0.817,527 0.893,528 0.991,529 0.97,530 0.708,531 1.005,532 0.9,533 0.919,534 0.953,535 0.943,536 0.872,537 0.951,538 1.113,539 0.937,540 1.023,541 0.922,542 1.151,543 0.934,544 4.5,545 0.112,546 3.333,547 2.007,548 1.383,549 0.671,550 0.431,551 0.354,552 0.267,553 0.199,554 8170,555 26623,556 2.124,557 33.3,559 9,560 1,561 1,562 2,567 1.691,568 2,569 3.355,570 0.251,572 1,574 1,577 64.832,578 1.662,579 3.302,580 4.176,581 4.856,582 5.08,583 5.08,584 2.749,585 4.393,586 4.675,587 3.495,588 1135.97,589 8.098,590 14074.5,591 1,592 1,593 1,594 1,595 206.131,596 1.37,597 4.637,598 0.155,599 0.006,600 0.081,601 0.048,602 0.037,603 0.02,604 0.014,605 0.013,606 0.011,607 0.009,608 0.395,609 0.5,610 1,611 0.54,612 126.83,613 -0.055,614 -0.015,615 0.01,616 0.046,617 -0.054,618 0.056,619 0.027,620 -0.085,621 -0.043,622 -0.12,623 -0.014,624 -0.117,625 0.096,626 -0.062,627 0.036,628 -0.123,629 0.116,630 -0.086,631 0.017,632 -0.019,633 -0.041,634 -0.052,635 0.054,636 -0.058,637 0.083,638 0.071,639 -0.058,640 0.021,641 0.055,642 -0.047,643 -0.096,644 -0.078,645 -0.048,646 -0.038,647 -0.043,648 -0.021,649 0.015,650 0.005,651 0.065,652 0.017,653 0.008,654 0.049,655 -0.074,656 0.027,657 0.007,658 0.062,659 -0.088,660 0.064,661 2.842,662 5.787,663 0.808,664 21.183,665 1.025,666 1.125,667 4.058,668 16.465,669 0.716,670 3.401,671 3.738,672 4.043,673 4.304,674 4.5,675 4.543,676 4.691,677 4.812,678 4.875,679 4.977,680 6.166,681 0.71,682 349.36,683 3.401,684 4.949,685 5.814,686 6.698,687 7.578,688 8.467,689 9.353,690 10.245,691 11.134,692 12.027,693 7.7,700 1,701 1,703 1,708 2,709 11,710 1,711 1,714 6,716 22,723 1,734 2,735 39,737 23,738 2,739 29,741 42,742 20,743 19,744 4,745 8,746 1,748 4,749 5,762 20,767 1,772 1,776 1,780 1,781 2,783 13,784 5,785 2,786 6,792 3,797 0.75,798 1,809 1,811 1,815 1,816 3,819 1,843 3,849 2,851 26,860 1,873 2,874 2.6,877 1,881 13,882 7.069,883 5.667,884 2.209,886 4.061,887 1.538,888 1.057,889 4.136,890 11.607,891 3.738,892 4.398,893 5.044,894 5.667,895 6.205,896 6.502,897 6.965,898 7.398,899 7.678,900 8.079,901 0.857,902 42,903 9.678,905 4.345,906 8.115,907 17.677,909 14.595,911 2.615,912 68,916 129.482,917 142.929,918 51.582,920 25.145,921 29.92,923 142.929,924 154.627,925 81.502,927 18.011,928 94.334,929 60.122,930 58.961,931 41.691,932 105.94,934 129.482,935 194.511,936 55.065,939 159.402,940 25.145,943 45.559,944 132.167,945 16.786,947 159.402,948 76.727,949 142.929,952 129.482,953 39.548,954 103.381,955 34.796,956 71.851,957 129.482,958 106.647,959 142.929,961 0.585,962 0.353,963 0.191,964 0.099,965 21,966 9,967 0.071,968 3,969 1,970 1.095,971 3.806,972 223.911,973 0.095,974 21,975 118.211,981 16.283,982 6.604,983 3.074,984 1.479,985 89.861,986 18.247,987 4.276,988 3.082,991 -0.277,993 34.796,994 379.059,995 41,1000 12.263,1004 -0.736,1007 39.96,1008 43.875,1009 0.315,1010 0.625,1011 0.79,1012 0.919,1013 0.961,1014 0.961,1015 4.959,1016 1.353,1017 5.802,1018 3.571,1019 4.419,1020 5.085,1021 1.176,1022 6.632,1023 4.36,1024 6.191,1025 1.288,1026 7.375,1027 3.278,1028 4.007,1029 4.902,1031 7.57,1032 3.915,1033 7.511,1034 1.061,1035 9.05,1036 3.129,1037 6.028,1038 7.362,1039 1.255,1040 10.696,1041 5.921,1042 8.87,1043 1,1044 10.786,1045 2.583,1046 6.463,1047 8.038,1049 12.476,1050 6.323,1051 10.263,1052 0.583,1053 12.562,1054 2.136,1055 7.942,1056 9.943,1057 1.338,1058 15.114,1059 7.791,1060 11.68,1061 0.126,1062 14.365,1063 1.446,1064 8.76,1065 11.034,1067 17.232,1068 8.58,1069 13.115,1070 -0.184,1071 16.186,1072 0.287,1073 10.026,1074 12.704,1075 1.422,1076 19.701,1077 9.833,1078 3.173,1079 -0.536,1080 18.022,1081 -0.465,1082 11.018,1083 14.001,1085 21.963,1086 10.8,1087 3.05,1088 10.945,1089 19.869,1090 -1.248,1091 12.2,1092 15.569,1093 1.51,1094 24.37,1095 11.967,1096 2.575,1097 10.142,1098 21.724,1099 4.555,1100 13.271,1101 16.968,1103 26.694,1104 13.016,1105 2.371,1106 7.896,1107 23.586,1108 4.07,1109 14.422,1110 18.493,1111 1.599,1112 29.08,1113 14.15,1114 2.079,1115 7.142,1116 25.454,1117 3.539,1118 15.529,1119 19.944,1121 31.431,1122 15.237,1123 1.741,1124 6.194,1125 27.326,1126 3.139,1127 16.67,1128 21.452,1129 1.69,1130 33.81,1131 16.36,1132 1.414,1133 4.65,1134 29.202,1135 2.831,1136 17.794,1137 22.929,1139 36.175,1140 17.465,1141 7714,1142 14094,1143 19.592,1144 27.915,1145 44.083,1146 45.716,1147 45.133,1148 43.543,1149 43.628,1150 61.123,1151 2.117,1152 126.796,1153 42.238,1154 5.441,1155 5.652,1156 6.52,1157 5.21,1158 5.173,1159 7.555,1160 2.117,1161 18.076,1162 5.119,1163 11.142,1164 1.52,1165 1.576,1166 1.556,1167 1.501,1168 1.504,1169 2.108,1170 0.073,1171 4.372,1172 1.456,1173 4.138,1174 4.174,1175 4.106,1176 4.043,1177 8.239,1178 4.053,1179 3.933,1180 3.954,1181 3.907,1182 3.843,1183 8.161,1184 3.853,1185 3.822,1186 3.858,1187 3.753,1188 3.745,1189 7.429,1190 3.743,1191 3.481,1192 3.535,1193 3.422,1194 3.299,1195 5.066,1196 3.319,1197 3.175,1198 3.204,1199 3.123,1200 2.989,1201 4.725,1202 3.016,1203 2.93,1204 2.981,1205 2.873,1206 2.747,1207 4.528,1208 2.759,1209 2.915,1210 2.98,1211 2.831,1212 2.735,1213 4.348,1214 2.751,1215 2.854,1216 2.925,1217 2.687,1218 2.73,1219 3.965,1220 2.715,1221 0.159,1222 0.126,1223 0.232,1224 0.143,1225 0.109,1226 4.611,1227 0.157,1228 3.652,1229 0.036,1230 6.719,1231 0.377,1232 4.155,1233 0.108,1234 3.173,1235 4.555,1236 1.058,1237 10.945,1238 3.119,1239 1.959,1240 1.937,1241 2.047,1242 2.051,1243 1.167,1244 2.043,1245 1.887,1246 1.868,1247 1.968,1248 1.987,1249 1.049,1250 1.986,1251 1.803,1252 1.768,1253 1.892,1254 1.938,1255 0.968,1256 1.927,1257 1.421,1258 1.361,1259 1.577,1260 1.644,1261 0.6,1262 1.63,1263 1.224,1264 1.191,1265 1.333,1266 1.458,1267 0.373,1268 1.421,1269 0.947,1270 0.909,1271 1.181,1272 1.118,1273 0.218,1274 1.121,1275 0.886,1276 0.821,1277 1.122,1278 1.074,1279 0.19,1280 1.107,1281 0.829,1282 0.786,1283 0.999,1284 1.062,1285 0.054,1286 1.042,1287 4.078,1289 5.407,1290 2.398,1291 6.938,1292 4.727,1293 8.558,1294 6.843,1295 10.222,1299 27.101,1305 2.565,1314 27.706,1315 64.832,1316 128.793,1317 162.846,1318 189.376,1319 198.131,1320 198.131,1321 51.855,1322 7.546,1323 57.78,1324 57.78,1325 23,1326 12.554,1327 4.585,1328 3.7,1329 38.056,1330 97,1331 87,1332 0.193,1333 167.618,1334 286.41,1335 400.748,1336 19801,1337 5.1,1338 18.096,1339 0.696,1340 0.518,1341 16.355,1342 13.462,1343 12.631,1344 0.436,1345 0.273,1346 7.797,1347 12.156,1348 7.685,1349 6.347,1350 11.81,1351 7.912,1352 11.386,1353 0.278,1354 0.14,1355 10.353,1356 5.744,1357 10.039,1358 0.179,1359 0.073,1360 8.992,1361 4.07,1362 8.351,1363 0.114,1364 0.038,1365 7.646,1366 2.806,1367 6.523,1368 0.073,1369 0.02,1370 6.167,1371 1.815,1372 0.302,1373 79.412,1374 0.226,1375 24.999,1376 0.533,1377 140,1378 530.269,1379 155.427,1380 467.064,1381 623.48,1382 434,1383 167,1384 449.993,1385 182.921,1386 446.524,1387 656.49,1388 421,1389 6.2}
{0 CHEMBL1974457,1 1.818,2 7.105,3 3.161,4 9.991,5 71.174,6 10.122,7 0.762,8 3.448,9 3.506,10 3.319,11 3.162,12 4.787,13 3.135,14 3.879,15 3.952,16 3.735,17 3.556,18 5.358,19 3.506,20 4.073,21 4.185,22 3.773,23 3.588,24 5.419,25 3.536,26 4.048,27 4.187,28 3.578,29 3.482,30 5.367,31 3.433,32 3.968,33 4.133,34 3.477,35 3.369,36 5.28,37 3.315,38 3.912,39 4.051,40 3.441,41 3.204,42 5.487,43 3.163,44 3.63,45 3.804,46 3.097,47 2.779,48 5.124,49 2.748,50 3.197,51 3.361,52 2.327,53 2.116,54 4.749,55 2.144,56 0.106,57 0.387,58 2.498,59 2.294,60 16.847,61 2.052,62 0.229,63 0.631,64 4.387,65 3.736,66 38.005,67 3.36,68 0.292,69 0.821,70 11.308,71 5.529,72 45.799,73 4.78,74 0.288,75 0.752,76 9.042,77 4.994,78 48.652,79 4.899,80 0.268,81 0.724,82 9.61,83 4.694,84 40.153,85 4.729,86 0.394,87 0.732,88 9.876,89 4.577,90 53.72,91 3.999,92 0.283,93 0.577,94 9.648,95 3.903,96 42.597,97 3.311,98 0.245,99 0.305,100 6.324,101 2.407,102 44.316,103 1.874,104 11,105 30,106 0.346,107 0.657,108 0.81,109 0.906,110 0.906,111 0.906,112 3.012,113 0.905,114 -3.84,115 -3.8,116 -3.6,119 51.9,142 5,143 3,144 1,145 2,152 2,158 1,167 1,170 1,172 7,175 1,178 1,183 10,184 2,188 5,193 2,196 7,197 1,200 4,205 1,208 5,209 1,213 2,214 1,218 1,221 4,222 1,224 1,225 2,228 1,230 1,233 2,234 2,238 2,243 2,246 1,247 1,250 1,255 1,259 1,264 1,269 1,276 400,277 12.723,278 12.723,279 12.723,280 12.723,281 12.723,282 10.737,283 3.905,284 7.433,285 13.014,286 10.377,287 10.377,288 10.377,289 10.377,290 10.377,291 7.369,292 2.313,293 3.529,294 10.902,295 2.937,296 1.306,297 0.504,301 3.688,305 1,306 1,307 288,308 2.449,311 34.815,312 96.311,315 66.818,319 1.08,320 26.77,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 42,332 135,333 4.629,334 3.591,335 6.73,336 4.159,337 3.191,338 4.574,339 1.437,340 11.005,341 3.096,342 4.126,343 3.148,344 6.014,345 3.699,346 2.743,347 3.734,349 8.608,350 2.6,351 3.825,352 2.883,353 5.619,354 3.385,355 2.419,356 3.262,358 7.218,359 2.318,360 3.478,361 2.395,362 5.043,363 3.025,364 2.083,365 2.831,367 5.936,368 1.939,369 3,370 1.753,371 4.508,372 2.452,373 1.5,374 2.225,376 4.284,377 1.417,378 2.925,379 1.562,380 4.007,381 2.396,382 1.453,383 2.109,385 3.449,386 1.355,387 2.626,388 1.327,389 3.668,390 2.123,391 1.14,392 1.686,394 2.564,395 1.115,396 2.543,397 1.155,398 3.477,399 1.943,400 1,401 1.466,403 2.453,404 0.914,405 1.957,406 0.476,407 3.252,408 1.37,409 0.472,410 0.696,412 1.292,413 0.415,414 1.036,415 0.426,416 2.541,417 0.571,418 -0.368,419 -0.484,421 -0.84,422 -0.331,423 0.889,424 0.19,425 2.271,426 0.435,427 -0.47,428 -0.615,430 -1.192,431 -0.42,432 0.582,433 -0.407,434 2,435 0.077,436 -0.91,437 -1.213,439 -2,440 -0.874,441 0.5,442 -0.881,443 2,444 -0.002,445 -1,446 -1.405,448 -2.452,449 -0.913,450 0.47,451 -1,452 1.823,453 -0.066,454 -1,455 -1.5,457 -2.874,458 -0.966,459 0.078,460 -1.119,461 1.501,462 -0.306,463 -1.247,464 -1.719,466 -3.404,467 -1.188,468 9.186,469 0.483,470 0.524,471 0.028,472 27.25,473 1.434,474 15.5,475 0.816,476 11.75,477 0.618,478 11.792,479 0.621,480 19.014,481 0.704,482 17.805,483 0.937,484 5.453,485 0.287,486 3.695,487 0.194,488 0.104,490 0.381,494 1,496 0.653,497 0.744,498 0.648,499 0.694,500 0.64,501 0.675,502 0.539,503 0.801,504 0.778,505 0.789,506 0.475,507 0.798,508 0.835,509 1.073,510 1.128,511 1.25,512 0.87,513 1.09,514 0.856,515 1.003,516 0.911,517 0.981,518 0.848,519 1.064,520 0.812,521 0.966,522 0.901,523 0.935,524 0.734,525 0.983,526 1.102,527 1.062,528 1.235,529 1.164,530 1.158,531 1.157,532 1.443,533 1.356,534 1.165,535 1.248,536 1.44,537 1.128,538 2.103,539 1.099,540 1.378,541 1.1,542 2.204,543 1.15,544 4,546 2.222,547 1.382,548 1.081,549 0.58,550 0.431,551 0.178,552 0.103,553 0.031,554 2990,555 11846,556 2.081,557 29.6,559 5,561 2,562 1,567 1.608,568 1.932,569 2.885,570 -0.249,574 1,577 49.079,578 1.818,579 3.449,580 4.251,581 4.755,582 4.755,583 4.755,584 2.249,585 4.037,586 4.22,587 2.976,588 508.905,589 7.211,590 4867.11,591 1,592 1,594 1,595 128.382,596 1.462,597 4.171,598 0.19,600 0.074,601 0.048,602 0.042,603 0.025,604 0.022,605 0.015,606 0.017,607 0.008,608 0.44,609 0.83,610 1,611 0.868,612 80.637,613 -0.073,614 0.038,615 0.009,616 0.115,617 -0.091,618 0.079,619 0.082,620 0.049,621 0.019,622 0.1,623 0.13,624 0.003,625 -0.047,626 -0.11,627 -0.091,628 -0.226,629 -0.083,630 -0.152,631 -0.082,632 -0.14,633 -0.059,634 -0.093,635 -0.087,636 -0.1,637 -0.058,638 -0.051,639 0.024,640 -0.016,641 -0.018,642 0.032,643 0.033,644 -0.001,645 -0.165,646 -0.144,647 -0.031,648 -0.193,649 -0.158,650 -0.205,651 0.056,652 -0.143,653 -0.146,654 -0.024,655 -0.451,656 -0.106,657 -0.269,658 -0.064,659 -0.45,660 -0.059,661 2.633,662 5.274,663 0.789,664 11.645,665 1.033,666 1.105,667 2.605,668 6.788,669 0.761,670 3.091,671 3.434,672 3.714,673 4.007,674 4.248,675 4.331,676 4.394,677 4.454,678 4.394,679 4.29,680 4.465,681 0.746,682 273.3,683 3.091,684 4.635,685 5.493,686 6.385,687 7.269,688 8.168,689 9.061,690 9.962,691 10.859,692 11.762,693 3.7,703 1,708 2,709 7,710 1,713 1,714 4,716 16,725 1,734 1,735 27,737 17,738 1,739 21,741 29,742 14,743 13,744 2,745 4,746 1,748 3,749 4,762 14,767 1,772 1,776 1,780 1,781 1,783 8,784 4,785 1,786 5,787 1,792 1,797 0.667,798 2,809 1,815 1,816 2,819 1,841 1,843 2,845 1,849 1,851 19,857 1,869 1,873 1,874 7.4,876 1,877 1,881 9.833,882 4.96,883 4.111,884 1.483,886 3.279,887 1.491,888 1.003,889 2.937,890 9.952,891 3.434,892 4.107,893 4.761,894 5.428,895 6.019,896 6.405,897 6.83,898 7.261,899 7.488,900 7.755,901 0.8,902 29,903 7.009,905 3.099,906 8.211,907 12.828,909 10.625,911 2.711,912 51.5,916 82.398,917 117.833,918 16.786,920 67.828,921 14.96,922 31.278,923 86.555,924 150.226,925 31.746,928 47.381,929 109.066,930 36.16,931 17.064,932 90.133,934 82.398,935 103.341,936 82.788,937 31.278,939 97.358,940 67.828,943 18.095,944 68.46,945 16.786,946 31.278,947 97.358,948 84.614,949 117.833,952 82.398,953 52.357,954 65.476,956 99.574,957 82.398,958 99.574,959 117.833,961 0.588,962 0.34,963 0.186,964 0.109,965 16,966 7,967 0.069,968 2,969 1,970 1.133,971 3.087,972 144.824,973 0.133,974 15,975 78.711,977 1,981 12.092,982 4.614,983 2.185,984 1.558,985 99.574,986 11.016,987 4.087,990 1.163,991 1.345,993 42.683,994 299.805,995 30,1000 11.002,1004 -0.966,1007 27.88,1008 29.838,1009 0.382,1010 0.725,1011 0.894,1012 1,1013 1,1014 1,1015 4.654,1016 1,1017 5.493,1018 2.564,1019 4.111,1020 4.792,1021 1.635,1022 6.326,1023 4.017,1024 5.897,1025 0.472,1026 7.066,1027 2.453,1028 3.761,1029 4.677,1031 7.265,1032 3.621,1033 7.223,1034 -0.368,1035 8.739,1036 1.292,1037 5.72,1038 7.094,1039 2.253,1040 10.382,1041 5.554,1042 8.588,1043 -0.47,1044 10.47,1045 -0.84,1046 6.176,1047 7.817,1049 12.161,1050 5.964,1051 9.984,1052 -0.91,1053 12.239,1054 -1.192,1055 7.633,1056 9.705,1057 2.922,1058 14.799,1059 7.404,1060 11.404,1061 -1,1062 14.034,1063 -2,1064 8.456,1065 10.833,1067 16.927,1068 8.186,1069 12.843,1070 -1,1071 15.849,1072 -2.452,1073 9.715,1074 12.5,1075 3.619,1076 19.402,1077 9.425,1078 3.191,1079 -1.247,1080 17.678,1081 -2.874,1082 10.711,1083 13.83,1085 21.681,1086 10.385,1087 2.743,1088 11.005,1089 19.519,1090 -3.404,1091 11.892,1092 15.402,1093 4.33,1094 24.101,1095 11.545,1096 2.419,1097 8.608,1098 21.37,1099 4.574,1100 12.968,1101 16.829,1103 26.445,1104 12.589,1105 2.083,1106 7.218,1107 23.228,1108 3.734,1109 14.123,1110 18.364,1111 5.047,1112 28.846,1113 13.72,1114 1.5,1115 5.936,1116 25.092,1117 3.262,1118 15.237,1119 19.838,1121 31.218,1122 14.804,1123 1.453,1124 4.284,1125 26.962,1126 2.831,1127 16.385,1128 21.36,1129 5.769,1130 33.615,1131 15.926,1132 1.14,1133 3.449,1134 28.837,1135 2.225,1136 17.518,1137 22.856,1139 36,1140 17.031,1141 2971,1142 6001,1143 13.929,1144 20.546,1145 32.503,1146 32.887,1147 33.21,1148 32.048,1149 32.003,1150 45.172,1151 2.873,1152 93.621,1153 30.339,1154 5.272,1155 5.591,1156 6.284,1157 5.266,1158 5.191,1159 7.574,1160 2.873,1161 18.231,1162 5.096,1163 9.058,1164 1.548,1165 1.566,1166 1.581,1167 1.526,1168 1.524,1169 2.151,1170 0.137,1171 4.458,1172 1.445,1173 4.104,1174 4.112,1175 4.338,1176 4.11,1177 8.201,1178 4.069,1179 3.837,1180 3.856,1181 3.854,1182 3.794,1183 7.475,1184 3.775,1185 3.443,1186 3.451,1187 3.457,1188 3.28,1189 6.351,1190 3.287,1191 3.013,1192 3.016,1193 3.137,1194 2.902,1195 4.956,1196 2.889,1197 2.962,1198 3.006,1199 2.896,1200 2.733,1201 4.588,1202 2.743,1203 2.892,1204 2.952,1205 2.795,1206 2.686,1207 4.26,1208 2.733,1209 2.58,1210 2.646,1211 2.564,1212 2.492,1213 3.753,1214 2.453,1215 2.133,1216 2.182,1217 2.225,1218 2.01,1219 3.455,1220 1.905,1221 0.22,1222 0.171,1223 0.32,1224 0.198,1225 0.152,1226 4.629,1227 0.218,1228 3.591,1229 0.068,1230 6.73,1231 0.524,1232 4.159,1233 0.147,1234 3.191,1235 4.574,1236 1.437,1237 11.005,1238 3.096,1239 1.979,1240 1.961,1241 2.047,1242 2.049,1243 1.189,1244 2.051,1245 1.727,1246 1.704,1247 1.813,1248 1.827,1249 0.915,1250 1.829,1251 1.503,1252 1.522,1253 1.466,1254 1.632,1255 0.671,1256 1.613,1257 0.959,1258 0.933,1259 1.149,1260 1.148,1261 0.262,1262 1.125,1263 0.858,1264 0.804,1265 1.08,1266 1.069,1267 0.135,1268 1.082,1269 0.828,1270 0.791,1271 0.996,1272 1.051,1273 0.009,1274 1.067,1275 0.655,1276 0.629,1277 0.903,1278 0.855,1280 0.897,1281 0.338,1282 0.292,1283 0.519,1284 0.571,1286 0.616,1287 3.761,1289 5.094,1290 2.398,1291 6.621,1292 4.727,1293 8.239,1294 6.862,1295 9.905,1299 13.274,1302 9.021,1314 20.129,1315 49.079,1316 93.121,1317 114.772,1318 128.382,1319 128.382,1320 128.382,1321 33.103,1322 6.673,1323 50.19,1324 78.43,1325 17,1326 12.283,1327 4.17,1328 3.322,1329 27.641,1330 50,1331 45,1332 0.282,1333 126.58,1334 213.02,1335 300.615,1336 5902,1337 3.7,1338 13.405,1339 0.706,1340 0.55,1341 12.889,1342 10.447,1343 9.148,1344 0.436,1345 0.302,1346 5.517,1347 8.37,1348 5.348,1349 4.397,1350 9.162,1351 6.334,1352 8.526,1353 0.284,1354 0.17,1355 8.535,1356 5.109,1357 6.973,1358 0.174,1359 0.096,1360 7.522,1361 3.85,1362 5.888,1363 0.109,1364 0.053,1365 6.409,1366 2.845,1367 4.867,1368 0.071,1369 0.028,1370 5.402,1371 1.916,1372 0.42,1373 61.49,1374 0.268,1375 18.534,1376 0.84,1377 102,1378 390.502,1379 137.27,1380 373.908,1381 493.66,1382 346,1383 121,1384 332.856,1385 153.669,1386 349.196,1387 511.54,1388 328,1389 5.1}
{0 CHEMBL1974664,1 1.617,2 11.154,3 3.933,4 15.472,5 101.44,6 8.079,7 0.724,8 3.897,9 4.008,10 3.54,11 3.414,12 5.093,13 3.429,14 4.368,15 4.52,16 3.861,17 3.766,18 5.496,19 3.771,20 4.486,21 4.642,22 3.949,23 3.856,24 5.64,25 3.844,26 4.57,27 4.765,28 3.835,29 3.808,30 5.662,31 3.776,32 4.553,33 4.78,34 3.609,35 3.697,36 5.584,37 3.63,38 4.387,39 4.627,40 3.459,41 3.57,42 5.392,43 3.479,44 4.307,45 4.585,46 3.338,47 3.423,48 5.255,49 3.347,50 4.059,51 4.262,52 3.354,53 3.365,54 5.129,55 3.332,56 0.083,57 0.669,58 7.585,59 3.499,60 8.234,61 4.171,62 0.293,63 1.009,64 14.631,65 5.559,66 21.502,67 6.615,68 0.343,69 1.159,70 15.854,71 6.392,72 21.559,73 8.018,74 0.316,75 1.213,76 18.922,77 6.541,78 26.499,79 8.5,80 0.467,81 1.116,82 20.896,83 6.558,84 36.757,85 8.671,86 0.3,87 0.97,88 17.292,89 5.915,90 26.022,91 8.471,92 0.329,93 0.866,94 17.755,95 5.225,96 28.559,97 7.707,98 0.24,99 0.72,100 11.588,101 3.832,102 19.041,103 5.048,104 9,105 40,106 0.277,107 0.627,108 0.757,109 0.843,110 0.859,111 0.867,112 3.304,113 0.83,114 -3.81,115 -3.77,116 -3.58,119 44.2,124 2,142 7,143 2,144 2,146 1,147 1,148 1,152 2,155 1,168 1,172 7,174 1,175 4,178 1,180 2,183 6,187 2,188 7,191 2,192 1,193 3,196 3,200 6,203 2,205 4,212 2,213 5,218 3,224 1,225 6,228 1,230 3,238 4,241 1,243 2,246 1,249 1,250 2,255 1,258 4,263 1,264 1,267 1,272 7,276 950,277 18.24,278 18.24,279 18.24,280 18.24,281 18.24,282 15.651,283 12.326,284 10.771,285 18.824,286 14.212,287 14.212,288 14.212,289 14.212,290 14.212,291 10.214,292 10.44,293 4.914,294 14.964,295 3.809,296 1.76,297 1.004,298 0.5,299 0.407,300 0.361,301 4.007,304 1,305 1,306 1,307 639,308 3,311 42.059,312 200.193,315 169.725,319 1.55,320 17.631,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 56.5,332 290,333 4.743,334 3.272,335 6.858,336 4.224,337 3.256,338 4.841,339 0.86,340 11.456,341 3.153,342 4.272,343 3.196,344 6.165,345 3.852,346 2.899,347 3.925,348 0.86,349 9.124,350 2.763,351 3.992,352 2.656,353 5.985,354 3.524,355 2.562,356 3.647,358 8.404,359 2.461,360 3.639,361 2.454,362 5.254,363 3.235,364 2.267,365 2.984,367 6.642,368 2.181,369 3.4,370 2.177,371 5.166,372 2.896,373 1.942,374 2.812,376 5.951,377 1.851,378 3.08,379 1.979,380 4.509,381 2.562,382 1.612,383 2.349,385 4.326,386 1.533,387 2.919,388 1.668,389 4.366,390 2.521,391 1.604,392 2.057,394 4.124,395 1.461,396 2.833,397 1.519,398 3.813,399 2.291,400 1.344,401 1.987,403 3.071,404 1.28,405 2.795,406 1.324,407 3.606,408 2.266,409 1.3,410 1.856,412 2.904,413 1.242,414 2.603,415 1.207,416 3.489,417 2.016,418 1.061,419 1.568,421 2.479,422 1.01,423 1.989,424 1.036,425 3.133,426 1.61,427 0.703,428 0.84,430 1.379,431 0.631,432 1.884,433 0.934,434 3.009,435 1.419,436 0.485,437 0.688,439 1.097,440 0.451,441 1.472,442 0.591,443 2.734,444 1.205,445 0.347,446 0.382,448 0.482,449 0.295,450 1.313,451 0.142,452 2.487,453 0.914,454 -0.023,455 -0.029,457 -0.049,458 -0.021,459 0.896,460 -0.048,461 2.412,462 0.492,463 -0.437,464 -0.558,466 -0.874,467 -0.401,468 12.167,469 0.468,470 0.462,471 0.018,472 38.5,473 1.481,474 21,475 0.808,476 17.5,477 0.673,478 16.463,479 0.633,480 26.833,481 0.624,482 27.237,483 1.048,484 8.032,485 0.309,486 4.764,487 0.183,488 0.082,490 0.329,496 0.901,497 1.223,498 0.711,499 1.043,500 0.832,501 0.874,502 1.332,503 0.96,504 0.847,505 0.785,506 1.166,507 0.746,508 0.815,509 1.166,510 0.876,511 1.097,512 0.752,513 1.02,514 1.135,515 1.257,516 1.084,517 1.148,518 1.069,519 1.107,520 1.321,521 1.013,522 1.194,523 0.94,524 1.31,525 1.028,526 0.644,527 1.177,528 1.004,529 1.1,530 0.804,531 1.109,532 0.83,533 0.807,534 0.845,535 0.678,536 0.978,537 0.727,538 1.079,539 0.866,540 1.014,541 0.799,542 1.151,543 0.854,544 4,545 0.127,546 2.889,547 1.889,548 1.244,549 0.622,550 0.297,551 0.144,552 0.237,553 0.162,554 8713,555 24114,556 2.148,557 39.5,559 13,561 2,562 2,567 1.686,568 2.053,569 3.45,570 0.289,572 1,577 69.522,578 1.617,579 3.666,580 4.423,581 4.926,582 5.019,583 5.066,584 2.855,585 4.47,586 4.676,587 3.605,588 1171.55,589 8.075,590 14963.8,592 1,594 1,595 233.329,596 1.239,597 4.65,598 0.138,599 0.006,600 0.072,601 0.045,602 0.035,603 0.022,604 0.012,605 0.007,606 0.01,607 0.007,608 0.354,609 0.33,610 1,611 0.75,612 128.512,613 -0.028,614 -0.092,615 0.06,616 -0.069,617 -0.045,618 -0.001,619 -0.168,620 0.1,621 0.041,622 0.179,623 -0.148,624 0.148,625 0.166,626 -0.093,627 -0.008,628 -0.14,629 0.15,630 -0.119,631 -0.122,632 -0.212,633 -0.144,634 -0.217,635 -0.079,636 -0.192,637 -0.185,638 -0.034,639 -0.172,640 0.001,641 -0.189,642 -0.074,643 0.102,644 -0.2,645 -0.015,646 -0.133,647 0.081,648 -0.105,649 0.003,650 0.149,651 0.226,652 0.274,653 0.048,654 0.298,655 -0.126,656 0.196,657 -0.076,658 0.137,659 -0.186,660 0.07,661 1.053,662 1.8,663 0.731,664 21.775,665 1.011,666 1.126,667 2.579,668 6.651,669 0.686,670 3.401,671 3.714,672 4.043,673 4.331,674 4.554,675 4.605,676 4.71,677 4.804,678 4.779,679 4.883,680 6.649,681 0.667,682 347.41,683 3.401,684 4.934,685 5.802,686 6.686,687 7.571,688 8.463,689 9.354,690 10.25,691 11.145,692 12.044,693 11.6,698 1,701 1,702 1,703 2,708 4,709 8,710 2,711 1,714 4,716 21,733 2,735 43,737 22,738 2,739 29,741 46,742 19,743 16,744 5,745 7,746 1,748 4,749 7,751 1,762 17,763 2,767 1,774 1,775 1,780 1,783 17,784 6,785 2,786 7,792 5,797 0.5,798 2,810 1,811 1,815 1,816 3,819 2,843 2,847 2,851 26,860 1,861 2,874 4.7,879 2,881 12.667,882 8.433,883 5.889,884 2.294,886 4.919,887 1.641,888 1.018,889 4.522,890 12.598,891 3.726,892 4.391,893 5.095,894 5.774,895 6.384,896 6.769,897 7.238,898 7.693,899 7.91,900 8.31,901 1,902 42,903 9.497,905 3.952,906 7.667,907 18.041,909 14.372,911 2.167,912 56.333,915 1,916 176.567,917 130.772,918 84.908,920 22,923 130.772,924 198.566,925 84.908,926 21.766,928 66.334,929 84.049,930 82.456,931 6.616,932 153.024,934 176.567,935 215.679,936 22,939 176.567,940 22,943 44.211,944 110.961,945 60.507,947 176.567,948 106.908,949 130.772,952 176.567,953 25.006,954 105.766,955 34.674,956 72.234,957 176.567,958 106.908,959 130.772,961 0.569,962 0.355,963 0.203,964 0.109,965 20,966 8,967 0.109,968 5,969 2,970 1.211,971 3.89,972 219.079,973 0.211,974 19,975 122.211,981 16.517,982 7.119,983 3.157,984 3.74,985 90.122,986 15.101,987 8.656,988 3.331,991 2.81,993 34.674,994 414.246,995 40.5,1002 1.693,1003 4.281,1007 43.465,1008 48.402,1009 0.298,1010 0.676,1011 0.815,1012 0.908,1013 0.925,1014 0.934,1015 4.936,1016 1.344,1017 5.771,1018 4.124,1019 4.394,1020 5.078,1021 1.376,1022 6.6,1023 4.302,1024 6.161,1025 1.3,1026 7.335,1027 3.071,1028 3.892,1029 4.913,1031 7.545,1032 3.776,1033 7.482,1034 1.061,1035 9.003,1036 2.904,1037 5.994,1038 7.416,1039 1.159,1040 10.672,1041 5.83,1042 8.848,1043 0.703,1044 10.734,1045 2.479,1046 6.382,1047 8.164,1049 12.489,1050 6.186,1051 10.25,1052 0.485,1053 12.507,1054 1.379,1055 7.902,1056 10.091,1057 0.963,1058 15.128,1059 7.672,1060 11.679,1061 0.347,1062 14.309,1063 1.097,1064 8.708,1065 11.278,1067 17.298,1068 8.442,1069 13.13,1070 -0.023,1071 16.132,1072 0.482,1073 9.997,1074 12.975,1075 0.787,1076 19.785,1077 9.702,1078 3.256,1079 -0.437,1080 17.97,1081 -0.049,1082 10.997,1083 14.37,1085 22.103,1086 10.666,1087 2.899,1088 11.456,1089 19.821,1090 -0.874,1091 12.197,1092 15.98,1093 0.634,1094 24.544,1095 11.838,1096 2.562,1097 9.124,1098 21.681,1099 4.841,1100 13.285,1101 17.471,1103 26.925,1104 12.891,1105 2.267,1106 8.404,1107 23.55,1108 3.925,1109 14.455,1110 19.05,1111 0.504,1112 29.356,1113 14.033,1114 1.942,1115 6.642,1116 25.426,1117 3.647,1118 15.583,1119 20.585,1121 31.765,1122 15.128,1123 1.612,1124 5.951,1125 27.308,1126 2.984,1127 16.745,1128 22.156,1129 0.395,1130 34.195,1131 16.261,1132 1.604,1133 4.326,1134 29.195,1135 2.812,1136 17.893,1137 23.711,1139 36.618,1140 17.378,1141 8218,1142 13799,1143 19.879,1144 29.506,1145 42.937,1146 43.777,1147 44.5,1148 42.675,1149 42.765,1150 59.874,1151 3.44,1152 122.878,1153 40.622,1154 5.458,1155 5.272,1156 6.539,1157 5.301,1158 5.256,1159 7.841,1160 1.72,1161 18.8,1162 5.153,1163 9.707,1164 1.481,1165 1.51,1166 1.534,1167 1.472,1168 1.475,1169 2.065,1170 0.119,1171 4.237,1172 1.401,1173 4.199,1174 4.236,1175 4.174,1176 4.095,1177 5.163,1178 4.11,1179 3.932,1180 3.949,1181 3.887,1182 3.847,1183 4.95,1184 3.853,1185 3.659,1186 3.711,1187 3.604,1188 3.519,1189 4.744,1190 3.533,1191 3.38,1192 3.439,1193 3.301,1194 3.136,1195 4.618,1196 3.168,1197 3.247,1198 3.314,1199 3.064,1200 2.953,1201 4.495,1202 2.962,1203 3.166,1204 3.251,1205 3.051,1206 2.932,1207 4.225,1208 2.954,1209 3.139,1210 3.228,1211 2.995,1212 2.878,1213 4.169,1214 2.891,1215 2.92,1216 2.98,1217 2.807,1218 2.788,1219 3.914,1220 2.782,1221 0.164,1222 0.113,1223 0.236,1224 0.146,1225 0.112,1226 4.743,1227 0.167,1228 3.272,1229 0.03,1230 6.858,1231 0.395,1232 4.224,1233 0.109,1234 3.256,1235 4.841,1236 0.86,1237 11.456,1238 3.153,1239 1.945,1240 1.922,1241 2.031,1242 2.035,1243 1.15,1244 2.029,1245 1.893,1246 1.876,1247 1.982,1248 2.013,1249 1.082,1250 2.003,1251 1.785,1252 1.738,1253 1.839,1254 1.971,1255 0.903,1256 1.944,1257 1.286,1258 1.232,1259 1.58,1260 1.58,1261 0.581,1262 1.57,1263 1.191,1264 1.115,1265 1.575,1266 1.523,1267 0.574,1268 1.539,1269 1.097,1270 1.025,1271 1.328,1272 1.393,1273 0.311,1274 1.389,1275 1.086,1276 0.997,1277 1.284,1278 1.35,1279 0.299,1280 1.338,1281 0.924,1282 0.869,1283 1.138,1284 1.085,1285 0.196,1286 1.104,1287 4.078,1289 5.389,1290 2.398,1291 6.915,1292 4.844,1293 8.538,1294 7.066,1295 10.212,1297 3.207,1305 2.978,1306 10.536,1314 28.697,1315 69.522,1316 157.639,1317 190.168,1318 211.82,1319 215.82,1320 217.82,1321 30.118,1322 7.678,1323 84.42,1324 84.42,1325 23,1326 12.568,1327 4.524,1328 3.644,1329 38.281,1330 106,1331 98,1332 0.177,1333 176.141,1334 290.4,1335 421.545,1336 24427,1338 17.933,1339 0.69,1340 0.552,1341 17.933,1342 14.354,1343 12.796,1344 0.441,1345 0.277,1346 7.86,1347 12.162,1348 7.647,1349 6.402,1350 12.796,1351 8.024,1352 10.909,1353 0.273,1354 0.14,1355 10.909,1356 5.601,1357 9.845,1358 0.176,1359 0.073,1360 9.845,1361 4.081,1362 8.485,1363 0.113,1364 0.038,1365 8.485,1366 2.827,1367 6.94,1368 0.074,1369 0.02,1370 6.94,1371 1.866,1372 0.283,1373 81.279,1374 0.224,1375 25.306,1376 0.472,1377 138,1378 429.072,1379 152.472,1380 412.455,1381 575.9,1382 390,1383 165,1384 434.373,1385 181.11,1386 442.564,1387 644.18,1388 413,1389 5.6}
{0 CHEMBL1974702,1 2.111,2 5.529,3 4.043,4 16.343,5 70.518,6 15.027,7 0.526,8 3.281,9 3.306,10 3.487,11 3.081,12 4.528,13 3.032,14 3.766,15 3.816,16 4.013,17 3.507,18 5.121,19 3.435,20 3.894,21 3.937,22 4.367,23 3.614,24 5.229,25 3.517,26 3.768,27 3.799,28 4.172,29 3.49,30 5.234,31 3.384,32 3.567,33 3.634,34 4.052,35 3.15,36 4.968,37 3.05,38 3.428,39 3.47,40 3.83,41 2.835,42 5.088,43 2.782,44 2.959,45 3.123,46 2.353,47 2.184,48 4.069,49 1.947,50 2.374,51 2.64,52 1.111,53 1.597,54 3.008,55 1.188,56 0.116,57 0.228,58 4.697,59 1.108,60 7.67,61 1.159,62 0.3,63 0.41,64 12.091,65 2.675,66 22.341,67 2.68,68 0.344,69 0.501,70 25.072,71 4.643,72 26.552,73 2.625,74 0.284,75 0.378,76 21.498,77 3.203,78 24.941,79 2.516,80 0.288,81 0.326,82 17.369,83 2.893,84 32.255,85 1.994,86 0.333,87 0.278,88 10.911,89 3.3,90 24.996,91 2.005,92 0.235,93 0.179,94 10.097,95 1.995,96 23.256,97 1.602,98 0.092,99 0.1,100 24.171,101 2.23,102 6.366,103 2.115,104 17,105 29,106 0.426,107 0.82,108 0.838,109 0.857,110 0.857,111 0.857,112 2.913,113 1.065,114 -4.81,115 -4.72,116 -4.44,117 1,119 50,120 1,142 2,143 1,144 3,152 2,158 2,172 1,174 2,175 3,183 5,188 3,196 6,199 1,200 5,208 3,213 2,221 2,225 8,233 2,246 2,276 233,277 11.154,278 11.154,279 11.154,280 11.154,281 11.154,282 9.555,283 11.76,284 6.241,285 11.73,286 9.35,287 9.35,288 9.35,289 9.35,290 9.35,291 6.864,292 13.388,293 2.952,294 10.441,295 2.348,296 0.398,297 0.307,298 0.216,299 0.216,300 0.216,301 3.579,302 1,305 1,306 1,307 201,308 2,311 19.959,312 59.492,315 83.604,319 0.851,320 20.474,323 1,324 0.83,325 1,326 0.4,328 1,329 1,330 0.75,331 36.583,332 94,333 4.782,334 3.789,335 7.044,336 4.284,337 3.353,338 4.759,339 1.992,340 12.098,341 3.106,342 4.104,343 3.372,344 6.193,345 3.661,346 2.737,347 3.585,348 1.295,349 8.973,350 2.493,351 3.657,352 2.967,353 5.638,354 3.124,355 2.26,356 3.073,357 0.146,358 7.151,359 1.928,360 3.515,361 2.791,362 5.013,363 3.001,364 2.107,365 2.761,367 5.915,368 1.836,369 3.28,370 2.496,371 4.956,372 2.791,373 1.868,374 2.51,376 5.317,377 1.616,378 2.758,379 1.579,380 4.411,381 2.276,382 1.351,383 1.834,385 3.909,386 1.215,387 2.358,388 1.354,389 3.855,390 1.717,391 0.881,392 1.249,394 2.481,395 0.685,396 1.466,397 0.855,398 2.789,399 0.9,400 0.171,401 0.209,403 0.372,404 0.093,405 1.24,406 0.822,407 2.748,408 0.731,409 -0.194,410 -0.247,412 -0.535,413 -0.164,414 0.729,415 0.218,416 2.577,417 0.428,418 -0.514,419 -0.595,421 -1.258,422 -0.464,423 0.448,424 -0.281,425 2.378,426 -0.047,427 -1,428 -1.179,430 -2.378,431 -0.529,432 0.321,433 -0.544,434 2,435 -0.172,436 -1,437 -1.438,439 -3.049,440 -0.933,441 0.188,442 -0.681,443 1.526,444 -0.413,445 -1.121,446 -1.529,448 -3.458,449 -0.977,450 -0.243,451 -1.014,452 1.469,453 -0.598,454 -1.521,455 -1.876,457 -4.048,458 -1.26,459 -0.3,460 -1.256,461 1.372,462 -0.812,463 -1.559,464 -2.057,466 -4.364,467 -1.408,468 9.448,469 0.556,470 0.597,471 0.035,472 22.5,473 1.324,474 11.5,475 0.676,476 11,477 0.647,478 15.002,479 0.882,480 16.352,481 0.743,482 11.473,483 0.675,484 3.968,485 0.233,486 4.107,487 0.242,488 0.305,490 0.423,496 0.699,497 0.93,498 0.483,499 0.605,500 0.577,501 0.6,502 0.578,503 0.795,504 0.576,505 0.567,506 0.471,507 0.518,508 1.231,509 0.95,510 0.974,511 0.865,512 1.013,513 0.68,514 0.976,515 1.094,516 1.186,517 1.058,518 1.047,519 0.99,520 1.276,521 1.118,522 0.869,523 0.932,524 1.715,525 1.067,526 0.924,527 1.396,528 1.231,529 1.803,530 1.015,531 1.549,532 1.901,533 0.844,534 1.033,535 1.101,536 1.904,537 1.909,538 0.573,539 0.997,540 3.351,541 2.252,542 0.356,543 2.369,544 4,546 2.444,547 1.917,548 1.574,549 0.597,550 0.253,551 0.028,554 1985,555 8994,556 2.056,557 22.7,559 2,563 3,567 1.58,568 1.855,569 2.544,570 -0.634,577 46.444,578 2.111,579 4.061,580 4.152,581 4.243,582 4.243,583 4.243,584 1.933,585 3.735,586 4.064,587 2.598,588 353.292,589 6.917,590 3098.75,592 1,595 98.107,596 1.522,597 3.984,598 0.211,600 0.084,601 0.064,602 0.061,603 0.035,604 0.019,605 0.014,608 0.488,609 0.5,610 1,611 0.732,612 67.121,613 -0.065,614 -0.075,615 -0.009,617 -0.074,618 0.001,619 0.205,620 0.159,621 0.027,622 0.214,623 0.169,624 0.264,625 -0.29,626 0.11,627 -0.023,628 0.114,629 -0.211,630 0.135,631 -0.054,632 -0.175,633 -0.142,634 -0.139,635 -0.01,636 -0.191,637 -0.205,638 -0.173,639 0.124,640 0.009,641 -0.328,642 -0.133,643 0.413,644 -0.47,645 -0.056,646 -0.679,647 0.416,648 -0.531,649 -0.623,650 0.062,651 -0.164,652 -0.051,653 -0.606,654 -0.491,655 0.098,656 -0.082,657 -0.722,658 -0.548,659 0.12,660 -0.23,661 2.031,662 4.737,663 0.765,664 8.394,665 1.047,666 1.085,667 3.583,668 12.838,669 0.866,670 2.996,671 3.401,672 3.738,673 4.094,674 4.369,675 4.489,676 4.5,677 4.605,678 4.443,679 4.111,680 3.65,681 0.821,682 330.59,683 2.996,684 4.575,685 5.468,686 6.399,687 7.317,688 8.252,689 9.178,690 10.114,691 11.043,692 11.98,693 4.5,702 1,708 2,709 2,713 1,714 4,716 10,726 1,734 2,735 22,737 12,738 1,739 19,740 1,741 24,742 11,743 8,744 4,745 2,746 2,748 3,749 6,750 1,754 1,762 10,763 1,767 2,772 1,775 1,776 2,780 1,783 5,784 3,786 6,787 3,792 1,797 0.333,798 2,815 1,816 2,819 2,843 1,845 1,846 1,847 1,848 1,851 17,861 1,869 1,873 2,874 9.1,877 1,879 1,881 9.167,882 4.652,883 3.583,884 1.283,886 2.633,887 1.396,888 1.033,889 2.67,890 9.279,891 3.296,892 4.012,893 4.697,894 5.412,895 6.009,896 6.454,897 6.785,898 7.198,899 7.303,900 7.255,901 0.75,902 30,903 6.254,905 2.758,906 7.943,907 11.643,909 9.752,911 2.443,912 41.528,913 0.001,916 58.856,917 85.051,918 62.74,919 39.149,920 36.145,922 31.278,923 99.727,924 134.149,925 16.786,926 8.825,928 18.952,929 37.151,930 39.671,931 2.104,932 90.133,933 85.103,934 58.856,935 70.559,936 36.145,937 70.426,938 45.954,939 58.856,940 36.145,943 25.611,944 44.948,945 39.149,946 77.232,947 58.856,948 52.93,949 170.154,952 58.856,953 57.273,954 27.778,955 45.954,956 92.079,957 58.856,958 52.93,959 170.154,961 0.606,962 0.367,963 0.21,964 0.124,965 17,966 8,969 2,970 1.308,971 2.786,972 131.06,973 0.308,974 13,975 69.487,977 1,981 11.478,982 3.954,983 1.691,984 1.718,985 52.93,986 3.639,990 1.338,991 2.605,994 281.94,995 26,1000 11.737,1003 4.265,1004 -0.019,1007 23.036,1008 23.868,1009 0.473,1010 0.911,1011 0.931,1012 0.952,1013 0.952,1014 0.952,1015 4.57,1016 0.171,1017 5.509,1018 2.481,1019 4.078,1020 4.696,1021 2.422,1022 6.418,1023 3.864,1024 5.846,1025 -0.194,1026 7.133,1027 0.372,1028 3.892,1029 4.783,1030 1.425,1031 7.489,1032 3.558,1033 7.209,1034 -0.514,1035 8.855,1036 -0.535,1037 5.765,1038 7.058,1039 3.426,1040 10.656,1041 5.395,1042 8.608,1043 -1,1044 10.631,1045 -1.258,1046 6.347,1047 7.952,1048 2.843,1049 12.558,1050 5.868,1051 10.038,1052 -1,1053 12.443,1054 -2.378,1055 7.77,1056 9.763,1057 4.613,1058 15.273,1059 7.258,1060 11.492,1061 -1.121,1062 14.281,1063 -3.049,1064 8.701,1065 11.031,1066 4.316,1067 17.528,1068 8.094,1069 12.964,1070 -1.521,1071 16.139,1072 -3.458,1073 9.967,1074 12.674,1075 5.878,1076 20.09,1077 9.315,1078 3.353,1079 -1.559,1080 18.013,1081 -4.048,1082 11.052,1083 14.111,1084 5.797,1085 22.488,1086 10.315,1087 2.737,1088 12.098,1089 19.899,1090 -4.364,1091 12.267,1092 15.695,1093 7.18,1094 25,1095 11.473,1096 2.26,1097 8.973,1098 21.796,1099 4.759,1100 13.42,1101 17.204,1102 7.264,1103 27.454,1104 12.545,1105 2.107,1106 7.151,1107 23.702,1108 3.585,1109 14.621,1110 18.769,1111 8.501,1112 29.951,1113 13.681,1114 1.868,1115 5.915,1116 25.615,1117 3.073,1118 15.803,1119 20.306,1120 8.713,1121 32.427,1122 14.785,1123 1.351,1124 5.317,1125 27.534,1126 2.761,1127 17.003,1128 21.866,1129 9.834,1130 34.92,1131 15.915,1132 0.881,1133 3.909,1134 29.458,1135 2.51,1136 18.198,1137 23.416,1138 10.146,1139 37.406,1140 17.033,1141 2012,1142 4375,1143 12.255,1144 19.057,1145 29.944,1146 31.392,1147 31.484,1148 29.447,1149 29.456,1150 39.958,1151 6.866,1152 92.431,1153 25.945,1154 5.633,1155 5.789,1156 6.358,1157 5.418,1158 5.353,1159 7.759,1160 3.768,1161 19.56,1162 5.106,1163 9.158,1164 1.576,1165 1.652,1166 1.657,1167 1.55,1168 1.55,1169 2.103,1170 0.361,1171 4.865,1172 1.366,1173 4.108,1174 4.101,1175 6.881,1176 4.138,1177 7.433,1178 4.085,1179 3.633,1180 3.651,1181 4.348,1182 3.497,1183 5.018,1184 3.498,1185 3.265,1186 3.308,1187 3.768,1188 3.19,1189 4.754,1190 3.14,1191 2.986,1192 2.972,1193 3.476,1194 2.998,1195 4.379,1196 2.918,1197 2.934,1198 2.923,1199 3.07,1200 2.727,1201 4.012,1202 2.772,1203 2.488,1204 2.567,1205 2.949,1206 2.288,1207 3.74,1208 2.23,1209 2.147,1210 2.145,1211 2.639,1212 2.112,1213 3.508,1214 2.021,1215 1.765,1216 1.778,1217 2.117,1218 1.732,1219 3.338,1220 1.649,1221 0.252,1222 0.199,1223 0.371,1224 0.225,1225 0.176,1226 4.782,1227 0.25,1228 3.789,1229 0.105,1230 7.044,1231 0.637,1232 4.284,1233 0.163,1234 3.353,1235 4.759,1236 1.992,1237 12.098,1238 3.106,1239 1.914,1240 1.91,1241 1.911,1242 1.957,1243 1.151,1244 1.961,1245 1.642,1246 1.644,1247 1.727,1248 1.801,1249 0.808,1250 1.791,1251 1.252,1252 1.209,1253 1.389,1254 1.41,1255 0.615,1256 1.442,1257 0.96,1258 0.936,1259 1.005,1260 1.076,1261 0.264,1262 1.085,1263 0.817,1264 0.831,1265 0.776,1266 0.908,1268 0.94,1269 0.395,1270 0.424,1271 0.451,1272 0.659,1274 0.629,1275 0.264,1276 0.196,1277 0.32,1278 0.488,1280 0.507,1287 3.664,1289 5.043,1290 2.398,1291 6.624,1292 4.844,1293 8.305,1294 7.096,1295 10.038,1296 3.444,1297 1.649,1298 6.167,1306 4.985,1314 18.071,1315 46.444,1316 89.353,1317 91.353,1318 93.353,1319 93.353,1320 93.353,1321 24.024,1322 6.646,1323 43.1,1324 71.34,1325 17,1326 12.479,1327 3.7,1328 3,1329 23.446,1330 39,1331 31,1332 0.337,1333 122.706,1334 205.72,1335 291.163,1336 5363,1337 9.1,1338 12.154,1339 0.715,1340 0.691,1341 14.008,1342 11.741,1343 8.075,1344 0.425,1345 0.355,1346 4.85,1347 6.592,1348 4.562,1349 3.716,1350 9.35,1351 6.744,1352 7.89,1353 0.272,1354 0.201,1355 9.592,1356 5.816,1357 6.728,1358 0.164,1359 0.118,1360 8.861,1361 4.84,1362 5.994,1363 0.102,1364 0.062,1365 7.944,1366 3.647,1367 5.007,1368 0.064,1369 0.038,1370 7.386,1371 2.936,1372 0.482,1373 65.884,1374 0.286,1375 16.233,1376 1.088,1377 96,1378 336.834,1379 211.709,1380 407.914,1381 536.11,1382 378,1383 118,1384 332.065,1385 208.994,1386 370.726,1387 556.21,1388 349,1389 5.1}
{0 CHEMBL1974803,1 1.836,2 7.045,3 3.894,4 15.162,5 85.665,6 11.886,7 0.5,8 3.567,9 3.616,10 3.494,11 3.251,12 4.914,13 3.251,14 3.997,15 4.048,16 3.963,17 3.668,18 5.403,19 3.654,20 4.308,21 4.383,22 4.126,23 3.832,24 5.801,25 3.802,26 4.323,27 4.412,28 4.254,29 3.796,30 5.78,31 3.774,32 4.324,33 4.402,34 4.189,35 3.739,36 5.947,37 3.733,38 4.307,39 4.388,40 4.169,41 3.606,42 6.067,43 3.589,44 4.049,45 4.206,46 3.844,47 3.272,48 5.573,49 3.157,50 3.394,51 3.607,52 2.841,53 2.58,54 4.658,55 2.351,56 0.22,57 0.347,58 0.904,59 2.028,60 26.916,61 1.709,62 0.304,63 0.529,64 0.338,65 3.18,66 32.074,67 3.165,68 0.639,69 0.692,70 11.004,71 5.303,72 82.805,73 4.868,74 0.65,75 0.706,76 11.341,77 5.569,78 80.127,79 5.11,80 0.757,81 0.68,82 11.215,83 5.759,84 99.629,85 5.236,86 0.946,87 0.651,88 12.224,89 5.963,90 122.968,91 4.749,92 0.754,93 0.519,94 19.362,95 5.6,96 92.355,97 5.127,98 0.393,99 0.25,100 17.67,101 3.564,102 45.075,103 3.933,104 37,105 36,106 0.345,107 0.679,108 0.794,109 0.909,110 0.922,111 0.922,112 3.149,113 0.906,114 -4.41,115 -4.34,116 -4.09,119 50,136 1,138 1,142 5,143 2,144 5,158 1,172 4,178 1,180 5,183 13,188 1,191 1,192 1,193 6,196 9,200 3,205 6,208 9,213 1,217 1,218 6,221 6,225 4,228 1,229 1,230 6,233 4,238 2,243 3,246 7,255 1,258 1,272 2,276 604,277 14.223,278 14.223,279 14.223,280 14.223,281 14.223,282 12.238,283 15.484,284 8.015,285 14.694,286 11.796,287 11.796,288 11.796,289 11.796,290 11.796,291 8.795,292 17.351,293 3.796,294 12.712,295 3.07,296 1.291,297 0.679,298 0.067,301 3.818,302 3,304 1,305 1,306 1,307 326,308 2.236,312 154.577,316 83.273,319 0.88,320 37.815,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 48.5,332 155,333 4.712,334 3.703,335 7.104,336 4.329,337 3.353,338 4.386,339 1.058,340 12.301,341 3.268,342 4.221,343 3.287,344 6.248,345 3.775,346 2.824,347 3.887,349 9.22,350 2.672,351 3.963,352 3.101,353 5.896,354 3.531,355 2.573,356 3.415,358 7.906,359 2.445,360 3.533,361 2.788,362 5.288,363 3.114,364 2.196,365 2.813,367 6.435,368 1.987,369 3.399,370 2.639,371 5.018,372 2.915,373 2.044,374 2.702,376 5.778,377 1.701,378 3.292,379 2.354,380 4.925,381 2.853,382 1.942,383 2.536,385 5.62,386 1.684,387 3.063,388 2.269,389 4.742,390 2.586,391 1.671,392 2.204,394 4.703,395 1.452,396 2.645,397 1.54,398 4.069,399 2.133,400 1.159,401 1.641,403 3.156,404 1.102,405 1.695,406 1.055,407 3.314,408 1.337,409 0.423,410 0.495,412 1.046,413 0.36,414 1.403,415 0.712,416 3.123,417 1.017,418 0.141,419 0.168,421 0.328,422 0.108,423 1.15,424 0.42,425 2.692,426 0.742,427 -0.209,428 -0.271,430 -0.587,431 -0.188,432 0.956,433 0.251,434 2.489,435 0.499,436 -0.357,437 -0.445,439 -0.959,440 -0.255,441 0.703,442 0.112,443 2.366,444 0.207,445 -0.579,446 -0.674,448 -1.35,449 -0.324,450 0.546,451 -0.303,452 2.144,453 0.058,454 -0.892,455 -1.097,457 -2.27,458 -0.652,459 0.192,460 -0.549,461 1.864,462 -0.24,463 -1,464 -1.31,466 -2.732,467 -0.894,468 11.043,469 0.502,470 0.792,471 0.036,472 30,473 1.364,474 16,475 0.727,476 14,477 0.636,478 17.342,479 0.788,480 22.557,481 0.752,482 22.388,483 1.018,484 5.988,485 0.272,486 4.392,487 0.2,488 0.285,490 0.453,496 0.835,497 0.831,498 0.497,499 0.508,500 0.841,501 0.537,502 0.628,503 1.096,504 0.553,505 0.747,506 0.596,507 0.754,508 0.96,509 1.023,510 1.03,511 0.99,512 0.909,513 1.002,514 0.988,515 1.065,516 0.714,517 0.894,518 1.064,519 0.893,520 1.035,521 1.109,522 0.914,523 1.075,524 1.076,525 0.983,526 1.175,527 1.108,528 1.113,529 1.19,530 1.261,531 1.162,532 1.172,533 0.904,534 1.215,535 1.065,536 1.234,537 1.196,538 1.113,539 0.665,540 2.09,541 1.438,542 0.849,543 1.446,544 5.5,546 2.889,547 2.375,548 2.373,549 1.153,550 0.691,551 0.269,552 0.082,553 0.016,554 3904,555 18384,556 1.991,557 26.7,559 5,562 3,567 1.657,568 1.784,569 2.793,570 1.114,572 1,574 1,577 55.094,578 1.836,579 3.616,580 4.228,581 4.84,582 4.907,583 4.907,584 2.17,585 3.971,586 4.435,587 2.892,588 667.979,589 7.677,590 7047.63,592 1,593 1,594 1,595 147.207,596 1.539,597 4.344,598 0.229,600 0.08,601 0.059,602 0.061,603 0.03,604 0.022,605 0.017,606 0.016,607 0.008,608 0.523,609 0.33,610 1,611 0.714,612 96.95,613 -0.165,614 0.193,615 -0.038,616 0.193,617 -0.182,618 0.137,619 0.008,620 -0.108,621 0.002,622 -0.026,623 0.018,624 -0.04,625 -0.095,626 -0.049,627 -0.21,628 -0.122,629 -0.045,630 -0.155,631 -0.07,632 -0.082,633 0.11,634 0.016,635 -0.128,636 0.016,637 0.003,638 -0.164,639 -0.033,640 -0.133,641 0.021,642 -0.069,643 0.057,644 -0.149,645 -0.073,646 -0.168,647 0.07,648 -0.208,649 -0.026,650 0.076,651 0.109,652 0.13,653 -0.084,654 0.062,655 -0.071,656 0.235,657 -0.284,658 -0.052,659 -0.018,660 0.123,661 2.389,662 4.94,663 0.727,664 12.909,665 1.049,666 1.101,667 3.177,668 10.093,669 0.792,670 3.219,671 3.611,672 3.912,673 4.248,674 4.554,675 4.635,676 4.644,677 4.718,678 4.718,679 4.511,680 4.406,681 0.776,682 356.59,683 3.219,684 4.796,685 5.673,686 6.594,687 7.498,688 8.424,689 9.337,690 10.264,691 11.181,692 12.108,693 3.3,700 1,709 5,714 7,716 12,732 1,734 3,735 30,737 14,738 2,739 24,741 32,742 15,743 12,744 7,745 5,746 3,748 3,749 4,750 3,762 15,767 2,772 1,776 3,780 1,783 8,784 4,785 3,786 7,787 3,792 1,797 0.667,798 3,816 3,820 1,829 1,834 1,835 1,841 1,843 2,848 3,851 22,857 2,860 1,873 3,874 10,876 2,877 1,881 12.333,882 5.412,883 4.694,884 1.589,886 2.67,887 1.383,888 0.96,889 3.987,890 9.643,891 3.497,892 4.174,893 4.775,894 5.4,895 5.994,896 6.285,897 6.546,898 6.923,899 7.177,900 7.229,901 0.8,902 40,903 8.132,905 3.689,906 8.25,907 14.588,909 12.133,911 2.75,912 60.5,916 58.856,917 74.901,918 18.011,919 117.446,920 110.512,923 74.901,924 286.813,925 18.011,927 18.011,928 47.381,929 115.216,930 22.815,932 58.856,933 117.446,934 58.856,935 92.912,936 110.512,937 117.446,939 58.856,940 110.512,943 18.011,944 74.901,945 117.446,947 58.856,948 128.522,949 192.347,952 58.856,953 27.52,954 47.381,955 18.011,956 227.958,957 58.856,958 128.522,959 192.347,961 0.603,962 0.36,963 0.203,964 0.125,965 19,966 10,967 0.031,968 1,969 1,970 1.125,971 3.14,972 186.106,973 0.125,974 16,975 98.107,981 15.491,982 5.663,983 2.686,985 128.522,986 7.29,991 1.66,993 103.377,994 379.725,995 32,1000 11.94,1004 -1.185,1007 31.473,1008 33.035,1009 0.374,1010 0.737,1011 0.862,1012 0.986,1013 1,1014 1,1015 4.771,1016 1.159,1017 5.714,1018 4.703,1019 4.29,1020 4.86,1021 1.176,1022 6.605,1023 4.155,1024 6.037,1025 0.423,1026 7.33,1027 3.156,1028 4.111,1029 4.879,1031 7.656,1032 3.865,1033 7.389,1034 0.141,1035 9.043,1036 1.046,1037 5.964,1038 7.126,1039 1.255,1040 10.82,1041 5.762,1042 8.772,1043 -0.209,1044 10.811,1045 0.328,1046 6.524,1047 7.87,1049 12.698,1050 6.254,1051 10.182,1052 -0.357,1053 12.616,1054 -0.587,1055 7.934,1056 9.665,1057 1.338,1058 15.426,1059 7.69,1060 11.613,1061 -0.579,1062 14.447,1063 -0.959,1064 8.838,1065 10.759,1067 17.674,1068 8.553,1069 13.062,1070 -0.892,1071 16.299,1072 -1.35,1073 10.093,1074 12.367,1075 1.422,1076 20.251,1077 9.813,1078 3.353,1079 -1,1080 18.169,1081 -2.27,1082 11.156,1083 13.64,1085 22.654,1086 10.848,1087 2.824,1088 12.301,1089 20.053,1090 -2.732,1091 12.36,1092 15.165,1093 1.51,1094 25.18,1095 12.045,1096 2.573,1097 9.22,1098 21.949,1099 4.386,1100 13.497,1101 16.531,1103 27.646,1104 13.157,1105 2.196,1106 7.906,1107 23.855,1108 3.887,1109 14.689,1110 18.019,1111 1.599,1112 30.158,1113 14.335,1114 2.044,1115 6.435,1116 25.769,1117 3.415,1118 15.859,1119 19.432,1121 32.649,1122 15.482,1123 1.942,1124 5.778,1125 27.69,1126 2.813,1127 17.051,1128 20.906,1129 1.69,1130 35.157,1131 16.657,1132 1.671,1133 5.62,1134 29.617,1135 2.702,1136 18.238,1137 22.344,1139 37.658,1140 17.821,1141 3943,1142 8627,1143 15.145,1144 23.75,1145 37.185,1146 38.936,1147 39.452,1148 37.013,1149 36.65,1150 48.495,1151 2.117,1152 112.986,1153 33.556,1154 5.573,1155 5.703,1156 6.427,1157 5.369,1158 5.353,1159 7.386,1160 2.117,1161 19.837,1162 5.268,1163 13.505,1164 1.549,1165 1.622,1166 1.644,1167 1.542,1168 1.527,1169 2.021,1170 0.088,1171 4.708,1172 1.398,1173 4.051,1174 4.06,1175 4.152,1176 3.997,1177 7.431,1178 3.998,1179 3.836,1180 3.85,1181 3.984,1182 3.784,1183 6.473,1184 3.778,1185 3.502,1186 3.505,1187 3.662,1188 3.365,1189 6.456,1190 3.381,1191 3.071,1192 3.103,1193 3.553,1194 2.927,1195 5.014,1196 2.933,1197 2.958,1198 2.969,1199 3.33,1200 2.806,1201 4.889,1202 2.802,1203 2.801,1204 2.835,1205 2.976,1206 2.698,1207 4.628,1208 2.682,1209 2.752,1210 2.755,1211 2.869,1212 2.621,1213 4.274,1214 2.626,1215 2.601,1216 2.628,1217 2.518,1218 2.271,1219 4.11,1220 2.316,1221 0.196,1222 0.154,1223 0.296,1224 0.18,1225 0.14,1226 4.712,1227 0.183,1228 3.703,1229 0.044,1230 7.104,1231 0.513,1232 4.329,1233 0.136,1234 3.353,1235 4.386,1236 1.058,1237 12.301,1238 3.268,1239 1.995,1240 1.987,1241 2.026,1242 2.069,1243 1.212,1244 2.062,1245 1.812,1246 1.798,1247 1.87,1248 1.89,1249 1.003,1250 1.896,1251 1.407,1252 1.402,1253 1.464,1254 1.58,1255 0.541,1256 1.551,1257 0.99,1258 0.956,1259 1.153,1260 1.197,1261 0.209,1262 1.183,1263 0.865,1264 0.843,1265 1.049,1266 1.105,1267 0.12,1268 1.085,1269 0.76,1270 0.732,1271 0.938,1272 0.969,1274 0.976,1275 0.641,1276 0.638,1277 0.768,1278 0.855,1280 0.849,1281 0.445,1282 0.403,1283 0.695,1284 0.775,1286 0.762,1287 3.892,1289 5.263,1291 6.836,1293 8.514,1295 10.25,1298 18.075,1302 20.226,1305 2.495,1314 23.282,1315 55.094,1316 108.478,1317 126.842,1318 145.207,1319 147.207,1320 147.207,1321 53.664,1322 6.974,1323 73.32,1324 73.32,1325 18,1326 12.614,1327 3.907,1328 3.17,1329 33.983,1330 56,1331 58,1332 0.304,1333 152.838,1334 271.06,1335 364.684,1336 8322,1337 10,1338 16.016,1339 0.728,1340 0.595,1341 17.516,1342 13.091,1343 10.38,1344 0.432,1345 0.302,1346 6.14,1347 9.212,1348 5.933,1349 4.83,1350 11.246,1351 7.245,1352 10.1,1353 0.281,1354 0.165,1355 11.287,1356 5.929,1357 8.319,1358 0.17,1359 0.081,1360 9.127,1361 3.984,1362 7.184,1363 0.104,1364 0.044,1365 8.248,1366 3.07,1367 6.202,1368 0.066,1369 0.022,1370 7.019,1371 2.094,1372 0.442,1373 73.946,1374 0.257,1375 20.658,1376 0.952,1377 120,1378 418.978,1379 175.034,1380 495.698,1381 633.03,1382 454,1383 145,1384 387.539,1385 184.87,1386 422.231,1387 623.16,1388 397,1389 5.1}
{0 CHEMBL1974870,1 1.567,2 12,3 3.877,4 15.028,5 111.899,6 8.019,7 0.71,8 3.994,9 4.113,10 3.627,11 3.59,12 5.118,13 3.562,14 4.494,15 4.648,16 3.987,17 3.979,18 5.555,19 3.93,20 4.733,21 4.919,22 4.002,23 4.093,24 5.779,25 4.003,26 4.805,27 5.044,28 3.873,29 4.036,30 5.727,31 3.917,32 4.689,33 4.914,34 3.79,35 3.948,36 5.659,37 3.837,38 4.671,39 4.895,40 3.82,41 3.886,42 5.698,43 3.787,44 4.606,45 4.845,46 3.685,47 3.785,48 5.604,49 3.678,50 4.424,51 4.659,52 3.552,53 3.677,54 5.396,55 3.571,56 0.054,57 0.708,58 9.072,59 4.23,60 10.941,61 5.435,62 0.097,63 1.106,64 17.12,65 7.242,66 18.374,67 9.362,68 0.299,69 1.335,70 25.463,71 9.415,72 36.68,73 12.321,74 0.257,75 1.384,76 29.368,77 10.541,78 36.574,79 14.203,80 0.197,81 1.244,82 26.855,83 9.366,84 34.816,85 12.575,86 0.273,87 1.213,88 25.633,89 8.883,90 40.79,91 11.791,92 0.391,93 1.129,94 27.766,95 8.368,96 41.003,97 11.088,98 0.232,99 0.966,100 18.778,101 7.03,102 26.991,103 9.72,104 10,105 43,106 0.262,107 0.632,108 0.814,109 0.903,110 0.903,111 0.903,112 3.374,113 0.918,114 -4.06,115 -4.01,116 -3.8,119 44.9,120 1,121 1,125 1,127 1,142 8,143 4,144 2,145 2,146 1,152 1,163 1,164 1,165 1,168 1,172 11,175 4,180 3,183 16,185 1,187 1,188 7,190 1,191 1,193 3,196 12,198 1,200 5,205 4,208 7,210 2,213 7,218 3,221 3,223 2,225 5,227 1,228 1,230 4,233 3,235 3,237 1,238 4,241 1,243 1,246 4,248 1,249 1,250 3,253 1,255 2,258 6,260 2,264 1,269 2,272 9,274 2,276 1268,277 18.963,278 18.963,279 18.963,280 18.963,281 18.963,282 16.345,283 12.618,284 11.207,285 19.377,286 15.325,287 15.325,288 15.325,289 15.325,290 15.325,291 11.446,292 11.022,293 5.371,294 16.029,295 4.048,296 1.836,297 0.75,298 0.219,299 0.219,300 0.219,301 4.072,302 1,305 1,306 1,307 737,308 3.162,311 69.355,312 269.919,315 118.625,319 1.929,320 19.613,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 59.333,332 336,333 4.558,334 3.148,335 6.522,336 4.089,337 3.103,338 4.51,339 0.86,340 10.231,341 3.059,342 4.184,343 3.037,344 6.117,345 3.779,346 2.802,347 3.816,349 8.979,350 2.74,351 4.056,352 2.955,353 5.586,354 3.675,355 2.703,356 3.652,358 7.694,359 2.624,360 3.69,361 2.696,362 5.321,363 3.328,364 2.393,365 3.098,367 6.866,368 2.225,369 3.43,370 2.542,371 4.996,372 3.156,373 2.214,374 2.651,376 5.984,377 2.068,378 3.307,379 2.115,380 4.951,381 2.851,382 1.883,383 2.621,385 5.414,386 1.819,387 3.084,388 2.007,389 4.583,390 2.732,391 1.806,392 2.233,394 4.86,395 1.599,396 2.941,397 1.599,398 4.352,399 2.465,400 1.506,401 2.081,403 4.147,404 1.438,405 2.705,406 1.294,407 4.01,408 2.195,409 1.235,410 1.8,412 3.176,413 1.182,414 2.652,415 1.259,416 3.492,417 2.167,418 1.185,419 1.721,421 2.598,422 1.142,423 2.571,424 1.11,425 3.478,426 2.041,427 1.084,428 1.605,430 2.543,431 1.034,432 2.111,433 0.986,434 3.223,435 1.642,436 0.655,437 0.939,439 1.552,440 0.645,441 1.715,442 0.714,443 3.135,444 1.468,445 0.575,446 0.639,448 1.358,449 0.508,450 1.074,451 0.216,452 2.642,453 0.789,454 -0.183,455 -0.215,457 -0.466,458 -0.176,459 1.017,460 0.078,461 2.572,462 0.631,463 -0.352,464 -0.461,466 -0.855,467 -0.269,468 13.648,469 0.487,470 0.677,471 0.024,472 38,473 1.357,474 20.5,475 0.732,476 17.5,477 0.625,478 22.054,479 0.788,480 28.952,481 0.591,482 26.619,483 0.951,484 7.547,485 0.27,486 6.033,487 0.215,488 0.118,490 0.33,496 0.81,497 1.017,498 0.648,499 0.867,500 0.948,501 0.833,502 1.033,503 1.11,504 0.728,505 0.917,506 0.844,507 0.89,508 1.118,509 1.058,510 1.05,511 1.071,512 1.073,513 1.091,514 1.084,515 0.999,516 0.876,517 0.959,518 0.935,519 0.981,520 1.062,521 1.089,522 1.05,523 1.108,524 1.096,525 1.07,526 1.189,527 1.103,528 0.914,529 1.059,530 1.073,531 1.038,532 1.215,533 0.903,534 1.192,535 1.05,536 1.163,537 1.011,538 0.729,539 0.979,540 0.699,541 0.915,542 0.741,543 0.942,544 6,545 0.145,546 2.889,547 1.729,548 1.253,549 0.774,550 0.456,551 0.333,552 0.201,553 0.163,554 11180,555 30567,556 2.115,557 42.9,559 11,561 2,562 3,563 3,564 2,567 1.705,568 2,569 3.566,570 0.882,572 1,577 76.775,578 1.567,579 3.779,580 4.865,581 5.395,582 5.395,583 5.395,584 2.955,585 4.593,586 4.781,587 3.767,588 1423.8,589 8.285,590 19636.4,592 1,594 1,595 275.121,596 1.333,597 4.748,598 0.194,599 0.007,600 0.067,601 0.042,602 0.036,603 0.023,604 0.014,605 0.012,606 0.008,607 0.007,608 0.41,609 0.33,610 1,611 0.517,612 143.181,613 -0.007,614 0.116,615 0.02,616 0.056,617 -0.134,618 0.054,619 -0.089,620 -0.052,621 0.029,622 0.029,623 -0.013,624 0.031,625 -0.035,626 -0.044,627 -0.149,628 -0.11,629 -0.069,630 -0.149,631 -0.089,632 -0.049,633 0.008,634 0.014,635 -0.045,636 0.008,637 -0.086,638 -0.123,639 -0.096,640 -0.128,641 -0.074,642 -0.087,643 -0.008,644 -0.135,645 -0.003,646 -0.099,647 0.044,648 -0.075,649 0.031,650 0.069,651 -0.101,652 -0.076,653 -0.047,654 -0.041,655 0.169,656 -0.003,657 0.083,658 0.039,659 0.129,660 0.038,661 1.466,662 2.39,663 0.75,664 27.704,665 1,666 1.12,667 2.834,668 8.033,669 0.698,670 3.466,671 3.784,672 4.025,673 4.277,674 4.466,675 4.489,676 4.595,677 4.718,678 4.727,679 4.779,680 7.34,681 0.661,682 392.92,683 3.466,684 5.004,685 5.844,686 6.713,687 7.567,688 8.439,689 9.299,690 10.174,691 11.038,692 11.914,693 8.2,694 1,701 1,703 2,708 2,709 10,710 2,711 1,714 6,716 22,733 1,734 1,735 49,737 22,738 2,739 31,741 52,742 22,743 18,744 5,745 7,748 4,749 5,750 1,754 1,760 2,762 18,763 4,780 1,783 21,784 4,785 3,786 6,787 1,792 4,797 0.75,798 1,807 1,809 1,815 1,816 3,819 1,836 1,843 3,847 1,848 1,851 28,852 1,858 2,861 1,863 1,873 1,874 2,879 1,881 14,882 8.96,883 6.083,884 2.797,886 4.081,887 1.536,888 1.011,889 5.51,890 11.694,891 3.761,892 4.398,893 4.998,894 5.603,895 6.126,896 6.388,897 6.822,898 7.26,899 7.498,900 7.839,901 0.875,902 41,903 10.29,905 4.336,906 7.635,907 19.789,909 16.251,911 2.135,912 59.778,914 1,915 1,916 211.88,917 135.632,918 83.009,919 39.149,920 11,923 135.632,924 262.028,925 83.009,926 8.825,927 40.024,928 75.81,929 56.991,930 68.776,931 2.757,932 188.338,933 39.149,934 211.88,935 218.64,936 11,937 39.149,939 188.338,940 34.542,943 85.751,944 99.44,945 72.597,947 211.88,948 94.009,949 174.78,952 211.88,953 32.902,954 102.73,955 16.663,956 116.494,957 211.88,958 94.009,959 174.78,961 0.582,962 0.331,963 0.178,964 0.095,965 21,966 9,967 0.115,968 6,969 1,970 1.095,971 4.112,972 236.069,973 0.095,974 21,975 132.606,981 18.789,982 8.212,983 4.484,984 2.056,985 77.346,986 19.391,987 8.59,988 3.01,991 5.612,993 49.56,994 480.669,995 42,1007 49.011,1008 54.883,1009 0.279,1010 0.673,1011 0.866,1012 0.961,1013 0.961,1014 0.961,1015 4.98,1016 1.506,1017 5.82,1018 4.86,1019 4.466,1020 5.085,1021 0.908,1022 6.594,1023 4.386,1024 6.193,1025 1.235,1026 7.354,1027 4.147,1028 4.007,1029 4.856,1031 7.391,1032 3.879,1033 7.495,1034 1.185,1035 8.983,1036 3.176,1037 6.028,1038 7.321,1039 0.739,1040 10.466,1041 5.897,1042 8.832,1043 1.084,1044 10.667,1045 2.598,1046 6.365,1047 7.933,1049 12.099,1050 6.205,1051 10.2,1052 0.655,1053 12.387,1054 2.543,1055 7.854,1056 9.858,1057 0.593,1058 14.676,1059 7.689,1060 11.591,1061 0.575,1062 14.133,1063 1.552,1064 8.574,1065 10.895,1067 16.68,1068 8.392,1069 13.001,1070 -0.183,1071 15.899,1072 1.358,1073 9.836,1074 12.577,1075 0.469,1076 19.077,1077 9.645,1078 3.103,1079 -0.352,1080 17.681,1081 -0.466,1082 10.748,1083 13.836,1085 21.247,1086 10.545,1087 2.802,1088 10.231,1089 19.476,1090 -0.855,1091 11.912,1092 15.407,1093 0.366,1094 23.58,1095 11.699,1096 2.703,1097 8.979,1098 21.281,1099 4.51,1100 12.92,1101 16.782,1103 25.826,1104 12.697,1105 2.393,1106 7.694,1107 23.095,1108 3.816,1109 14.044,1110 18.305,1111 0.283,1112 28.139,1113 13.811,1114 2.214,1115 6.866,1116 24.917,1117 3.652,1118 15.101,1119 19.739,1121 30.42,1122 14.858,1123 1.883,1124 5.984,1125 26.745,1126 3.098,1127 16.212,1128 21.244,1129 0.217,1130 32.728,1131 15.958,1132 1.806,1133 5.414,1134 28.578,1135 2.651,1136 17.295,1137 22.709,1139 35.026,1140 17.03,1141 10477,1142 17440,1143 20.978,1144 34.188,1145 46.782,1146 46.803,1147 47.406,1148 46.432,1149 46.292,1150 62.732,1151 1.72,1152 130.808,1153 44.165,1154 5.454,1155 5.148,1156 6.079,1157 5.15,1158 5.103,1159 7.51,1160 1.72,1161 16.757,1162 5.059,1163 12.181,1164 1.509,1165 1.51,1166 1.529,1167 1.498,1168 1.493,1169 2.024,1170 0.055,1171 4.22,1172 1.425,1173 4.123,1174 4.16,1175 4.09,1176 4.034,1177 5.097,1178 4.042,1179 3.937,1180 3.967,1181 4,1182 3.88,1183 5.027,1184 3.87,1185 3.842,1186 3.877,1187 3.805,1188 3.716,1189 4.925,1190 3.732,1191 3.577,1192 3.639,1193 3.527,1194 3.414,1195 4.906,1196 3.413,1197 3.401,1198 3.464,1199 3.321,1200 3.254,1201 4.4,1202 3.256,1203 3.063,1204 3.131,1205 3.236,1206 2.906,1207 4.325,1208 2.905,1209 2.986,1210 3.062,1211 2.922,1212 2.825,1213 4.293,1214 2.813,1215 2.878,1216 2.939,1217 2.824,1218 2.777,1219 3.905,1220 2.757,1221 0.147,1222 0.102,1223 0.21,1224 0.132,1225 0.1,1226 4.558,1227 0.145,1228 3.148,1229 0.028,1230 6.522,1231 0.33,1232 4.089,1233 0.099,1234 3.103,1235 4.51,1236 0.86,1237 10.231,1238 3.059,1239 1.988,1240 1.969,1241 2.063,1242 2.061,1243 1.258,1244 2.063,1245 1.92,1246 1.895,1247 2.032,1248 2.002,1249 1.213,1250 2.018,1251 1.734,1252 1.707,1253 1.845,1254 1.868,1255 0.964,1256 1.864,1257 1.542,1258 1.484,1259 1.754,1260 1.771,1261 0.898,1262 1.758,1263 1.489,1264 1.415,1265 1.696,1266 1.731,1267 0.733,1268 1.731,1269 1.049,1270 1.006,1271 1.299,1272 1.288,1273 0.49,1274 1.292,1275 0.963,1276 0.894,1277 1.23,1278 1.218,1279 0.249,1280 1.239,1281 0.867,1282 0.824,1283 1.122,1284 1.132,1285 0.198,1286 1.142,1287 4.143,1289 5.46,1290 2.398,1291 6.959,1292 4.727,1293 8.541,1294 6.804,1295 10.168,1297 2.012,1298 6.029,1301 6.221,1303 1.099,1306 5.89,1308 -0.132,1314 32.369,1315 76.775,1316 185.147,1317 238.366,1318 264.366,1319 264.366,1320 264.366,1321 40.444,1322 7.614,1323 76.82,1324 76.82,1325 23,1326 12.455,1327 4.524,1328 3.585,1329 42.701,1330 124,1331 110,1332 0.164,1333 202.461,1334 337.72,1335 485.764,1336 23581,1337 2,1338 19.51,1339 0.697,1340 0.581,1341 20.01,1342 16.279,1343 13.581,1344 0.438,1345 0.306,1346 9.05,1347 12.9,1348 8.766,1349 7.281,1350 13.869,1351 9.491,1352 12.4,1353 0.288,1354 0.17,1355 12.809,1356 7.331,1357 10.151,1358 0.185,1359 0.089,1360 10.413,1361 4.877,1362 8.48,1363 0.119,1364 0.048,1365 8.749,1366 3.415,1367 6.698,1368 0.078,1369 0.026,1370 6.864,1371 2.226,1372 0.265,1373 87.264,1374 0.218,1375 27.238,1376 0.431,1377 148,1378 396.874,1379 172.918,1380 422.656,1381 576.26,1382 396,1383 172,1384 408.515,1385 191.935,1386 428.068,1387 618.95,1388 402,1389 7.2}
{0 CHEMBL1974935,1 1.441,2 13.214,3 2.897,4 8.39,5 111.736,6 7.41,7 0.71,8 4.006,9 4.128,10 3.576,11 3.59,12 5.131,13 3.565,14 4.49,15 4.646,16 3.877,17 3.961,18 5.539,19 3.911,20 4.734,21 4.939,22 3.859,23 4.056,24 5.726,25 3.959,26 4.77,27 5.015,28 3.71,29 3.983,30 5.649,31 3.859,32 4.678,33 4.921,34 3.679,35 3.901,36 5.608,37 3.789,38 4.67,39 4.907,40 3.671,41 3.877,42 5.651,43 3.768,44 4.65,45 4.911,46 3.615,47 3.806,48 5.59,49 3.699,50 4.478,51 4.713,52 3.508,53 3.686,54 5.457,55 3.592,56 0.044,57 0.721,58 10.006,59 4.32,60 12.038,61 5.684,62 0.123,63 1.126,64 17.486,65 7.132,66 19.804,67 9.423,68 0.288,69 1.359,70 24.267,71 9.508,72 35.231,73 12.963,74 0.223,75 1.359,76 26.66,77 10.155,78 32.462,79 14.077,80 0.212,81 1.275,82 24.043,83 8.985,84 32.172,85 12.56,86 0.282,87 1.27,88 23.822,89 8.564,90 37.358,91 11.931,92 0.212,93 1.21,94 24.229,95 8.59,96 36.129,97 12.117,98 0.227,99 1.031,100 19.871,101 7.08,102 31.716,103 9.659,104 2,105 41,106 0.239,107 0.594,108 0.786,109 0.877,110 0.891,111 0.891,112 3.374,113 0.894,114 -2.91,115 -2.92,116 -2.82,119 46,121 1,125 1,127 1,135 2,142 7,143 4,144 1,145 4,151 1,152 1,163 1,164 1,165 1,172 12,175 4,180 4,183 12,185 1,187 1,188 5,190 1,191 1,193 4,196 9,198 1,200 4,205 2,208 6,210 1,213 4,217 1,218 2,220 1,221 4,223 2,225 6,227 1,228 2,230 3,233 2,235 3,238 6,243 2,246 3,248 2,249 1,250 2,255 2,258 4,260 1,263 1,264 1,267 1,269 2,272 6,274 1,276 1294,277 19.43,278 19.43,279 19.43,280 19.43,281 19.43,282 16.693,283 8.592,284 11.876,285 19.756,286 15.364,287 15.364,288 15.364,289 15.364,290 15.364,291 11.338,292 7.94,293 5.712,294 15.88,295 4.203,296 2.066,297 0.913,298 0.36,299 0.28,300 0.28,301 4.077,305 1,306 1,307 815,308 3.317,311 67.608,312 281.862,315 126.087,319 2.143,320 16.039,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 59,332 370,333 4.527,334 3.162,335 6.533,336 4.058,337 3.072,338 4.474,339 0.86,340 10.301,341 3.03,342 4.113,343 2.945,344 5.611,345 3.686,346 2.717,347 3.726,349 7.776,350 2.642,351 3.916,352 2.571,353 5.343,354 3.492,355 2.509,356 3.481,358 6.97,359 2.462,360 3.537,361 2.482,362 5.286,363 3.336,364 2.364,365 2.812,367 6.654,368 2.292,369 3.413,370 2.236,371 4.985,372 3.013,373 2.055,374 2.706,376 5.909,377 1.957,378 3.119,379 1.948,380 4.774,381 2.802,382 1.821,383 2.319,385 5.158,386 1.783,387 3.045,388 1.546,389 4.147,390 2.518,391 1.546,392 2.217,394 3.711,395 1.501,396 2.962,397 1.508,398 3.642,399 2.433,400 1.495,401 2.131,403 3.152,404 1.399,405 2.696,406 1.312,407 3.583,408 2.162,409 1.232,410 1.779,412 2.759,413 1.15,414 2.616,415 1.198,416 3.502,417 2.128,418 1.152,419 1.667,421 2.665,422 1.114,423 2.5,424 1,425 3.247,426 1.984,427 1,428 1.5,430 2.136,431 0.983,432 2.306,433 0.988,434 3.217,435 1.631,436 0.691,437 0.986,439 1.62,440 0.645,441 2.086,442 0.678,443 3.09,444 1.587,445 0.604,446 0.92,448 1.41,449 0.593,450 1.687,451 0.601,452 3,453 1.4,454 0.495,455 0.585,457 1.14,458 0.445,459 0.958,460 -0.112,461 2.521,462 0.654,463 -0.311,464 -0.371,466 -0.805,467 -0.299,468 13.433,469 0.48,470 0.482,471 0.017,472 39.75,473 1.42,474 22,475 0.786,476 17.75,477 0.634,478 19.284,479 0.689,480 28.567,481 0.571,482 27.451,483 0.98,484 8.079,485 0.289,486 5.697,487 0.203,488 0.03,490 0.261,496 0.984,497 1.124,498 0.81,499 0.953,500 1.064,501 0.872,502 1.251,503 1.101,504 0.995,505 1.024,506 1.047,507 0.99,508 1.08,509 1.035,510 1.089,511 1.088,512 1.077,513 1.096,514 1.152,515 1.005,516 1.027,517 1.031,518 0.949,519 1.026,520 1.056,521 1.031,522 1.009,523 1.039,524 1.02,525 1.024,526 1.194,527 1.029,528 1.1,529 1.062,530 1.269,531 1.069,532 1.21,533 0.966,534 0.91,535 0.911,536 1.056,537 0.883,538 1.512,539 0.951,540 1.058,541 0.952,542 1.281,543 0.962,544 4.5,545 0.094,546 2.222,547 1.229,548 0.991,549 0.577,550 0.304,551 0.285,552 0.153,553 0.125,554 11968,555 29213,556 2.159,557 44,559 12,560 1,561 4,562 3,564 2,567 1.704,568 2.1,569 3.676,570 0.847,571 1,572 1,577 72.043,578 1.441,579 3.577,580 4.731,581 5.284,582 5.364,583 5.364,584 3.098,585 4.45,586 4.781,587 3.863,588 1460.24,589 8.278,590 20652.7,592 1,594 1,595 282.193,596 1.018,597 4.772,598 0.145,599 0.004,600 0.054,601 0.032,602 0.031,603 0.019,604 0.01,605 0.01,606 0.006,607 0.005,608 0.317,609 0.33,610 1,611 0.343,612 144.615,613 -0.066,614 -0.013,615 0.041,616 0.025,617 -0.126,618 0.045,619 -0.149,620 -0.041,621 -0.093,622 -0.048,623 -0.117,624 -0.06,625 0.046,626 -0.048,627 -0.131,628 -0.103,629 -0.039,630 -0.132,631 -0.078,632 -0.073,633 -0.027,634 -0.035,635 -0.036,636 -0.029,637 -0.013,638 -0.064,639 -0.015,640 -0.061,641 0.039,642 -0.043,643 0.017,644 -0.038,645 -0.097,646 -0.103,647 -0.05,648 -0.111,649 -0.032,650 -0.019,651 0.122,652 0.061,653 0.085,654 0.104,655 -0.11,656 0.023,657 -0.038,658 0.011,659 -0.09,660 -0.005,661 1.435,662 2.38,663 0.75,664 29.531,665 0.994,666 1.119,667 1.682,668 2.828,669 0.687,670 3.466,671 3.738,672 3.97,673 4.205,674 4.369,675 4.304,676 4.394,677 4.443,678 4.443,679 4.477,680 7.753,681 0.651,682 370.49,683 3.466,684 4.977,685 5.802,686 6.65,687 7.489,688 8.342,689 9.188,690 10.043,691 10.892,692 11.749,693 8,694 1,701 1,703 2,708 2,709 12,710 2,711 1,714 4,716 22,733 1,735 50,737 23,738 1,739 31,741 53,742 23,743 18,744 2,745 4,746 2,748 4,749 5,760 2,762 20,763 3,767 1,774 2,780 1,783 22,784 4,785 3,786 5,792 4,797 0.75,798 1,809 2,811 1,815 1,816 3,819 1,834 2,836 1,843 3,851 28,852 1,858 2,861 1,863 1,874 2,879 1,881 13.333,882 8.65,883 6.222,884 2.815,886 4.588,887 1.613,888 1.014,889 5.691,890 12.077,891 3.784,892 4.373,893 4.971,894 5.55,895 6.035,896 6.167,897 6.533,898 6.839,899 6.916,900 7.169,901 0.889,902 38,903 10.287,905 4.281,906 7.583,907 19.868,909 16.125,911 2.083,912 58.333,915 1,916 223.651,917 157.167,918 83.254,920 11,923 157.167,924 234.651,925 83.254,927 40.024,928 94.334,929 80.655,930 81.348,931 13.915,932 164.795,934 223.651,935 240.421,936 11,939 200.109,940 34.542,943 92.999,944 94.898,945 52.524,947 223.651,948 94.254,949 157.167,952 223.651,953 26.644,954 130.523,955 16.786,956 77.468,957 223.651,958 94.254,959 157.167,961 0.567,962 0.322,963 0.177,964 0.095,965 19,966 7,967 0.132,968 7,969 1,970 1.095,971 4.258,972 228.209,973 0.095,974 21,975 130.606,981 18.268,982 8.723,983 4.801,984 2.339,985 77.468,986 23.182,987 8.276,988 3.284,991 3.978,993 49.683,994 475.072,995 43,1002 4.02,1007 49.687,1008 55.939,1009 0.255,1010 0.634,1011 0.838,1012 0.936,1013 0.95,1014 0.95,1015 4.973,1016 1.495,1017 5.74,1018 3.711,1019 4.419,1020 5.059,1021 0.908,1022 6.469,1023 4.359,1024 6.158,1025 1.232,1026 7.238,1027 3.152,1028 3.761,1029 4.62,1031 7.182,1032 3.704,1033 7.432,1034 1.152,1035 8.834,1036 2.759,1037 5.927,1038 7.253,1039 0.739,1040 10.269,1041 5.824,1042 8.746,1043 1,1044 10.492,1045 2.665,1046 6.133,1047 7.742,1049 11.893,1050 6.036,1051 10.094,1052 0.691,1053 12.192,1054 2.136,1055 7.705,1056 9.757,1057 0.593,1058 14.462,1059 7.571,1060 11.468,1061 0.604,1062 13.923,1063 1.62,1064 8.343,1065 10.727,1067 16.486,1068 8.211,1069 12.865,1070 0.495,1071 15.678,1072 1.41,1073 9.647,1074 12.454,1075 0.469,1076 18.887,1077 9.487,1078 3.072,1079 -0.311,1080 17.452,1081 1.14,1082 10.511,1083 13.68,1085 21.086,1086 10.349,1087 2.717,1088 10.301,1089 19.241,1090 -0.805,1091 11.693,1092 15.271,1093 0.366,1094 23.435,1095 11.511,1096 2.509,1097 7.776,1098 21.044,1099 4.474,1100 12.675,1101 16.63,1103 25.709,1104 12.487,1105 2.364,1106 6.97,1107 22.858,1108 3.726,1109 13.806,1110 18.161,1111 0.283,1112 28.043,1113 13.601,1114 2.055,1115 6.654,1116 24.682,1117 3.481,1118 14.849,1119 19.586,1121 30.349,1122 14.636,1123 1.821,1124 5.909,1125 26.514,1126 2.812,1127 15.96,1128 21.092,1129 0.217,1130 32.68,1131 15.733,1132 1.546,1133 5.158,1134 28.353,1135 2.706,1136 17.035,1137 22.551,1139 35,1140 16.798,1141 11098,1142 17454,1143 21.553,1144 34.33,1145 46.208,1146 45.82,1147 45.856,1148 45.456,1149 45.505,1150 62.607,1151 1.72,1152 122.724,1153 43.992,1154 5.427,1155 5.162,1156 6.335,1157 5.122,1158 5.072,1159 7.474,1160 1.72,1161 17.025,1162 5.03,1163 6.705,1164 1.491,1165 1.478,1166 1.479,1167 1.466,1168 1.468,1169 2.02,1170 0.055,1171 3.959,1172 1.419,1173 4.129,1174 4.164,1175 4.083,1176 4.047,1177 5.054,1178 4.051,1179 3.95,1180 3.982,1181 3.897,1182 3.865,1183 4.952,1184 3.867,1185 3.817,1186 3.855,1187 3.76,1188 3.702,1189 4.94,1190 3.711,1191 3.625,1192 3.688,1193 3.501,1194 3.482,1195 4.885,1196 3.478,1197 3.377,1198 3.438,1199 3.268,1200 3.22,1201 4.384,1202 3.225,1203 3.264,1204 3.32,1205 3.164,1206 3.124,1207 4.303,1208 3.126,1209 2.998,1210 3.065,1211 2.873,1212 2.829,1213 4.229,1214 2.828,1215 2.878,1216 2.96,1217 2.749,1218 2.735,1219 3.797,1220 2.715,1221 0.146,1222 0.102,1223 0.211,1224 0.131,1225 0.099,1226 4.527,1227 0.144,1228 3.162,1229 0.028,1230 6.533,1231 0.332,1232 4.058,1233 0.098,1234 3.072,1235 4.474,1236 0.86,1237 10.301,1238 3.03,1239 1.942,1240 1.919,1241 2.042,1242 2.029,1243 1.258,1244 2.032,1245 1.912,1246 1.883,1247 2.013,1248 2.013,1249 1.083,1250 2.016,1251 1.782,1252 1.749,1253 1.905,1254 1.931,1255 1.06,1256 1.926,1257 1.679,1258 1.626,1259 1.851,1260 1.856,1261 0.911,1262 1.859,1263 1.381,1264 1.32,1265 1.579,1266 1.622,1267 0.693,1268 1.616,1269 1.243,1270 1.189,1271 1.437,1272 1.419,1273 0.448,1274 1.428,1275 1.036,1276 0.976,1277 1.278,1278 1.245,1279 0.381,1280 1.261,1281 0.886,1282 0.821,1283 1.181,1284 1.152,1285 0.218,1286 1.151,1287 4.143,1289 5.425,1290 2.398,1291 6.895,1292 4.727,1293 8.447,1294 6.823,1295 10.041,1301 6.297,1303 1.178,1306 5.88,1308 -0.102,1314 32.542,1315 72.043,1316 178.874,1317 236.541,1318 264.193,1319 268.193,1320 268.193,1321 36.873,1322 7.489,1323 76.82,1324 76.82,1325 23,1326 12.304,1327 4.585,1328 3.7,1329 42.751,1330 132,1331 120,1332 0.153,1333 200.793,1334 337.17,1335 481.694,1336 21786,1338 19.184,1339 0.685,1340 0.552,1341 19.184,1342 15.454,1343 13.776,1344 0.444,1345 0.298,1346 9.146,1347 13.395,1348 8.947,1349 7.449,1350 13.776,1351 9.243,1352 11.944,1353 0.291,1354 0.163,1355 11.944,1356 6.703,1357 9.854,1358 0.189,1359 0.087,1360 9.854,1361 4.53,1362 8.179,1363 0.124,1364 0.047,1365 8.179,1366 3.118,1367 6.546,1368 0.084,1369 0.026,1370 6.546,1371 2.052,1372 0.251,1373 85.307,1374 0.215,1375 27.561,1376 0.395,1377 144,1378 372.671,1379 153.066,1380 370.598,1381 515.98,1382 350,1383 165,1384 383.286,1385 174.594,1386 394.188,1387 566.75,1388 371,1389 5.1}
{0 CHEMBL1975121,1 1.432,2 11.56,3 3.351,4 11.226,5 98.009,6 7.387,7 0.667,8 3.884,9 3.994,10 3.445,11 3.476,12 5.028,13 3.446,14 4.369,15 4.527,16 3.749,17 3.827,18 5.47,19 3.777,20 4.586,21 4.77,22 3.805,23 3.962,24 5.647,25 3.885,26 4.661,27 4.862,28 3.719,29 3.94,30 5.74,31 3.838,32 4.7,33 4.94,34 3.627,35 3.88,36 5.723,37 3.761,38 4.555,39 4.788,40 3.483,41 3.751,42 5.551,43 3.632,44 4.429,45 4.676,46 3.406,47 3.611,48 5.505,49 3.498,50 4.305,51 4.553,52 3.297,53 3.473,54 5.357,55 3.374,56 0.02,57 0.594,58 8.816,59 4.13,60 7.316,61 5.296,62 0.167,63 0.941,64 15.924,65 6.616,66 20.378,67 8.61,68 0.148,69 1.152,70 20.451,71 8.396,72 26.862,73 11.087,74 0.166,75 1.211,76 22.738,77 9.159,78 37.238,79 12.141,80 0.301,81 1.219,82 25.383,83 9.619,84 49.19,85 12.976,86 0.21,87 1.06,88 21.653,89 8.302,90 34.608,91 11.14,92 0.252,93 0.943,94 19.27,95 7.241,96 38.298,97 10.033,98 0.151,99 0.812,100 17.188,101 6.476,102 32.623,103 8.783,104 11,105 36,106 0.246,107 0.55,108 0.718,109 0.829,110 0.844,111 0.844,112 3.266,113 0.903,114 -4.01,115 -3.96,116 -3.75,119 46.7,120 1,124 1,127 1,142 10,143 4,144 1,145 2,158 1,172 13,175 5,178 1,180 3,183 16,188 5,193 4,196 13,200 6,205 3,208 8,213 6,216 1,218 2,221 9,225 4,230 1,233 9,237 1,238 5,243 2,246 9,250 2,258 8,263 1,264 2,267 1,272 9,276 923,277 17.077,278 17.077,279 17.077,280 17.077,281 17.077,282 14.874,283 13.021,284 10.211,285 17.366,286 13.254,287 13.254,288 13.254,289 13.254,290 13.254,291 9.932,292 18.055,293 4.76,294 13.583,295 4.059,296 2.281,297 1.305,298 0.656,299 0.567,300 0.567,301 3.949,304 1,305 1,306 1,307 616,308 3.24,312 276.588,319 1.898,320 17.494,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 53,332 289,333 4.29,334 3.586,335 6.185,336 3.939,337 2.944,338 3.927,339 1.081,340 9.158,341 2.93,342 4.163,343 3.086,344 6.112,345 3.833,346 2.844,347 3.724,348 0.86,349 8.928,350 2.808,351 4.015,352 2.843,353 5.925,354 3.65,355 2.65,356 3.505,357 0.473,358 8.285,359 2.648,360 3.546,361 2.688,362 5.246,363 3.232,364 2.285,365 2.83,367 6.549,368 2.154,369 3.371,370 2.125,371 4.557,372 2.877,373 1.897,374 2.707,376 4.785,377 1.857,378 2.938,379 1.717,380 4.287,381 2.497,382 1.533,383 2.066,385 3.994,386 1.472,387 2.737,388 1.619,389 3.77,390 2.281,391 1.299,392 1.827,394 2.913,395 1.269,396 2.557,397 1.151,398 3.49,399 2.066,400 1.093,401 1.569,403 2.594,404 1.061,405 2.5,406 1.125,407 3.445,408 2,409 1,410 1.5,412 2.275,413 1,414 2.5,415 1,416 3.414,417 1.984,418 1,419 1.5,421 2.209,422 0.983,423 2.298,424 1,425 3.247,426 1.891,427 0.882,428 1.187,430 2.136,431 0.885,432 1.583,433 0.935,434 2.705,435 1.292,436 0.427,437 0.48,439 0.621,440 0.366,441 1.044,442 0.285,443 2.602,444 0.657,445 -0.325,446 -0.398,448 -0.784,449 -0.318,450 0.839,451 -0.279,452 2.31,453 0.489,454 -0.539,455 -0.71,457 -1.258,458 -0.546,459 0.632,460 -0.384,461 2,462 0.272,463 -0.704,464 -0.881,466 -1.461,467 -0.672,468 11.967,469 0.479,470 0.503,471 0.02,472 35.25,473 1.41,474 20,475 0.8,476 15.25,477 0.61,478 16.839,479 0.674,480 25.833,481 0.574,482 25.28,483 1.011,484 7.263,485 0.291,486 4.906,487 0.196,488 0.111,490 0.292,496 0.754,497 1.147,498 0.791,499 1.018,500 0.628,501 0.923,502 1.001,503 0.989,504 0.908,505 0.913,506 0.684,507 0.9,508 1.017,509 1.066,510 1.014,511 1.043,512 0.925,513 1.027,514 1.094,515 1.188,516 1.133,517 1.194,518 1.326,519 1.174,520 1.14,521 0.938,522 1.016,523 0.951,524 1.435,525 0.97,526 1.187,527 1.008,528 1.066,529 1.012,530 1.181,531 1.025,532 0.791,533 0.934,534 0.898,535 0.943,536 1.005,537 0.929,538 1.11,539 0.904,540 0.843,541 0.882,542 1.427,543 0.839,544 4.5,545 0.083,546 2.889,547 1.313,548 0.996,549 0.896,550 0.446,551 0.259,552 0.185,553 0.154,554 7681,555 20125,556 2.062,557 44.4,559 14,561 2,562 1,564 3,567 1.675,568 1.948,569 3.508,570 -0.396,571 1,572 1,577 64.456,578 1.432,579 3.211,580 4.187,581 4.836,582 4.925,583 4.925,584 2.953,585 4.214,586 4.615,587 3.654,588 1096.32,589 7.955,590 13714.9,592 1,594 1,595 247.133,596 1.323,597 4.583,598 0.167,599 0.006,600 0.08,601 0.035,602 0.031,603 0.031,604 0.018,605 0.011,606 0.009,607 0.009,608 0.396,609 0.5,610 1,611 0.739,612 122.669,613 -0.017,614 -0.067,615 0.043,616 -0.023,617 -0.057,618 0.012,619 -0.012,620 0.062,621 0.002,622 0.063,623 0.026,624 0.037,625 -0.094,626 -0.047,627 -0.086,628 -0.065,629 -0.037,630 -0.071,631 -0.093,632 -0.203,633 -0.178,634 -0.218,635 -0.099,636 -0.21,637 -0.029,638 0.009,639 -0.004,640 0.027,641 -0.082,642 0.014,643 -0.109,644 -0.056,645 -0.065,646 -0.033,647 -0.072,648 -0.043,649 0.181,650 0.032,651 0.108,652 0.03,653 0.167,654 0.06,655 -0.007,656 0.033,657 0.182,658 0.098,659 0.03,660 0.155,661 1.767,662 5.478,663 0.72,664 23.984,665 0.996,666 1.114,667 2.782,668 7.741,669 0.684,670 3.332,671 3.611,672 3.85,673 4.025,674 4.22,675 4.174,676 4.263,677 4.22,678 4.277,679 4.29,680 6.73,681 0.649,682 332.43,683 3.332,684 4.844,685 5.673,686 6.521,687 7.363,688 8.214,689 9.061,690 9.912,691 10.761,692 11.613,693 4.4,700 1,703 1,709 12,710 1,714 5,716 18,723 1,733 1,735 45,737 19,738 2,739 27,741 47,742 21,743 17,744 4,745 8,746 1,748 3,749 3,754 1,760 1,762 18,763 3,767 1,772 1,776 1,779 1,780 1,783 20,784 4,785 1,786 4,792 2,797 1,798 2,809 1,816 3,843 3,847 2,851 25,860 1,861 1,863 1,874 4.4,877 1,879 1,881 12.833,882 8.617,883 5.667,884 2.571,886 3.072,887 1.444,888 0.971,889 5.344,890 9.985,891 3.638,892 4.197,893 4.756,894 5.269,895 5.79,896 5.876,897 6.26,898 6.422,899 6.733,900 7,901 0.875,902 37,903 9.2,905 3.789,906 7.713,907 17.535,909 13.899,911 2.213,912 55.333,915 1,916 223.651,917 155.256,918 34.796,920 36.145,923 155.256,924 259.796,925 34.796,926 19.708,927 18.011,928 94.762,929 70.177,930 47.08,932 200.109,934 223.651,935 190.052,936 36.145,939 188.338,940 71.458,943 44.931,944 128.336,945 16.786,947 223.651,948 70.941,949 155.256,952 223.651,953 22.69,954 132.566,955 18.011,956 52.93,957 223.651,958 70.941,959 155.256,961 0.57,962 0.337,963 0.174,964 0.093,965 16,966 7,967 0.106,968 5,970 1,971 3.79,972 195.005,974 18,975 108.096,981 17.032,982 7.845,983 4.185,985 70.941,986 22.665,987 4.017,991 4.542,993 18.011,994 449.848,995 37,1000 12.478,1004 -0.1,1007 44.811,1008 50.152,1009 0.261,1010 0.585,1011 0.762,1012 0.881,1013 0.897,1014 0.897,1015 4.832,1016 1.093,1017 5.631,1018 2.913,1019 4.29,1020 4.883,1021 1.661,1022 6.385,1023 4.252,1024 6.018,1025 1,1026 7.159,1027 2.594,1028 3.761,1029 4.46,1031 7.182,1032 3.73,1033 7.297,1034 1,1035 8.786,1036 2.275,1037 5.832,1038 7.01,1039 1.594,1040 10.231,1041 5.771,1042 8.612,1043 0.882,1044 10.471,1045 2.209,1046 6.133,1047 7.389,1049 11.835,1050 6.082,1051 9.956,1052 0.427,1053 12.194,1054 2.136,1055 7.642,1056 9.389,1057 1.614,1058 14.367,1059 7.569,1060 11.321,1061 -0.325,1062 13.94,1063 0.621,1064 8.326,1065 10.163,1067 16.294,1068 8.261,1069 12.703,1070 -0.539,1071 15.703,1072 -0.784,1073 9.588,1074 11.892,1075 1.674,1076 18.63,1077 9.508,1078 2.944,1079 -0.704,1080 17.477,1081 -1.258,1082 10.46,1083 12.887,1085 20.7,1086 10.383,1087 2.844,1088 9.158,1089 19.259,1090 -1.461,1091 11.609,1092 14.463,1093 1.758,1094 22.955,1095 11.521,1096 2.65,1097 8.928,1098 21.047,1099 3.927,1100 12.574,1101 15.591,1103 25.089,1104 12.486,1105 2.285,1106 8.285,1107 22.839,1108 3.724,1109 13.672,1110 17.076,1111 1.859,1112 27.311,1113 13.575,1114 1.897,1115 6.549,1116 24.634,1117 3.505,1118 14.683,1119 18.287,1121 29.476,1122 14.584,1123 1.533,1124 4.785,1125 26.433,1126 2.83,1127 15.758,1128 19.718,1129 1.973,1130 31.683,1131 15.652,1132 1.299,1133 3.994,1134 28.233,1135 2.707,1136 16.793,1137 20.981,1139 33.863,1140 16.682,1141 7430,1142 12126,1143 18.087,1144 30.773,1145 40.108,1146 40.926,1147 40.766,1148 39.621,1149 39.711,1150 53.642,1151 4.827,1152 108.893,1153 38.862,1154 5.165,1155 5.586,1156 5.987,1157 4.974,1158 4.944,1159 6.927,1160 2.162,1161 15.639,1162 4.93,1163 10.94,1164 1.485,1165 1.516,1166 1.51,1167 1.467,1168 1.471,1169 1.987,1170 0.179,1171 4.033,1172 1.439,1173 4.016,1174 4.042,1175 3.964,1176 3.951,1177 7.429,1178 3.95,1179 3.924,1180 3.951,1181 3.864,1182 3.856,1183 4.931,1184 3.854,1185 3.746,1186 3.783,1187 3.688,1188 3.638,1189 4.863,1190 3.644,1191 3.494,1192 3.555,1193 3.384,1194 3.31,1195 4.647,1196 3.315,1197 3.236,1198 3.3,1199 3.098,1200 2.982,1201 4.405,1202 3.004,1203 3.144,1204 3.19,1205 2.988,1206 2.941,1207 4.112,1208 2.943,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.798,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.674,1220 2.715,1221 0.159,1222 0.133,1223 0.229,1224 0.146,1225 0.109,1226 4.29,1227 0.145,1228 3.586,1229 0.04,1230 6.185,1231 0.339,1232 3.939,1233 0.109,1234 2.944,1235 3.927,1236 1.081,1237 9.158,1238 2.93,1239 1.979,1240 1.957,1241 2.071,1242 2.063,1243 1.205,1244 2.067,1245 1.914,1246 1.89,1247 2.029,1248 2.01,1249 1.16,1250 2.017,1251 1.717,1252 1.683,1253 1.838,1254 1.852,1255 0.871,1256 1.849,1257 1.461,1258 1.398,1259 1.72,1260 1.68,1261 0.82,1262 1.692,1263 1.185,1264 1.111,1265 1.563,1266 1.49,1267 0.57,1268 1.515,1269 1.078,1270 1.042,1271 1.26,1272 1.331,1273 0.281,1274 1.315,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.007,1289 5.293,1291 6.783,1293 8.354,1295 9.963,1297 3.588,1305 3.019,1306 5.233,1308 -0.109,1314 29.214,1315 64.456,1316 144.488,1317 188.404,1318 217.624,1319 221.624,1320 221.624,1321 38.926,1322 6.913,1323 51.22,1324 51.22,1325 18,1326 12.17,1327 4.322,1328 3.459,1329 42.023,1330 101,1331 92,1332 0.202,1333 182.337,1334 315.26,1335 436.661,1336 9105,1338 17.648,1339 0.706,1340 0.571,1341 17.648,1342 14.269,1343 12.169,1344 0.451,1345 0.301,1346 8.033,1347 11.801,1348 7.768,1349 6.52,1350 12.169,1351 8.124,1352 10.464,1353 0.291,1354 0.161,1355 10.464,1356 5.785,1357 8.887,1358 0.193,1359 0.089,1360 8.887,1361 4.102,1362 6.983,1363 0.127,1364 0.048,1365 6.983,1366 2.633,1367 5.487,1368 0.082,1369 0.026,1370 5.487,1371 1.735,1372 0.323,1373 75.615,1374 0.235,1375 24.719,1376 0.534,1377 126,1378 357.449,1379 134.534,1380 349.221,1381 477.13,1382 328,1383 145,1384 345.266,1385 152.982,1386 355.329,1387 510.1,1388 333,1389 5.1}
{0 CHEMBL1975128,1 1.625,2 9.391,3 3.392,4 11.508,5 99.612,6 11.562,7 0.808,8 3.731,9 3.859,10 3.683,11 3.384,12 4.922,13 3.335,14 4.186,15 4.333,16 4.157,17 3.781,18 5.304,19 3.715,20 4.371,21 4.555,22 4.427,23 3.912,24 5.47,25 3.772,26 4.418,27 4.648,28 4.2,29 3.851,30 5.428,31 3.661,32 4.238,33 4.461,34 4.303,35 3.779,36 5.28,37 3.568,38 4.092,39 4.288,40 4.287,41 3.723,42 5.223,43 3.489,44 3.983,45 4.194,46 4.284,47 3.527,48 5.134,49 3.324,50 3.779,51 3.98,52 3.049,53 3.279,54 4.724,55 3.077,56 0.111,57 0.617,58 1.415,59 2.692,60 9.669,61 3.051,62 0.107,63 0.954,64 5.293,65 4.733,66 8.977,67 5.349,68 0.13,69 1.114,70 10.749,71 6.906,72 19.558,73 7.276,74 0.199,75 1.123,76 29.756,77 9.127,78 23.997,79 8.441,80 0.175,81 0.967,82 29.386,83 8.464,84 18.921,85 7.127,86 0.187,87 0.879,88 32.742,89 8.164,90 19.34,91 6.193,92 0.236,93 0.799,94 29.574,95 6.614,96 19.619,97 5.378,98 0.088,99 0.575,100 37.111,101 6.35,102 9.852,103 5.145,104 5,105 37,106 0.289,107 0.648,108 0.747,109 0.846,110 0.859,111 0.859,112 3.189,113 0.943,114 -4.55,115 -4.47,116 -4.21,119 44.4,125 1,142 8,143 3,146 2,153 2,163 1,164 1,165 1,166 2,168 1,172 10,174 1,175 5,179 1,180 2,182 1,183 10,185 1,188 11,190 1,191 1,193 3,196 6,198 1,200 12,205 4,208 3,210 2,213 9,218 1,221 5,223 1,224 1,225 3,227 1,228 2,233 6,237 2,238 2,240 2,241 4,243 2,246 9,248 1,258 9,264 1,269 2,272 6,274 1,276 694,277 15.792,278 15.792,279 15.792,280 15.792,281 15.792,282 13.248,283 11.612,284 9.238,285 16.136,286 12.827,287 12.827,288 12.827,289 12.827,290 12.827,291 9.117,292 14.467,293 4.395,294 13.492,295 3.545,296 1.521,297 0.965,298 0.41,299 0.333,300 0.333,301 3.887,305 1,306 1,307 482,308 2.236,311 110.563,312 130.061,315 89.691,319 1.679,320 12.667,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 48.4,332 216,333 4.588,334 3.33,335 6.666,336 4.125,337 3.173,338 4.521,339 0.522,340 10.675,341 3.045,342 4.406,343 3.076,344 6.461,345 3.927,346 2.991,347 4.124,349 9.965,350 2.76,351 3.914,352 2.74,353 5.733,354 3.54,355 2.551,356 3.452,358 7.81,359 2.521,360 3.637,361 2.338,362 5.272,363 3.19,364 2.234,365 3.073,367 6.584,368 2.104,369 3.298,370 1.939,371 4.951,372 2.825,373 1.869,374 2.635,376 5.412,377 1.783,378 2.954,379 1.747,380 4.499,381 2.503,382 1.532,383 2.138,385 4.182,386 1.479,387 2.78,388 1.454,389 4.045,390 2.294,391 1.317,392 1.906,394 3.233,395 1.281,396 2.611,397 1.342,398 3.816,399 2.119,400 1.179,401 1.66,403 2.954,404 1.104,405 2.562,406 1.165,407 3.583,408 2,409 1.12,410 1.587,412 2.761,413 1,414 2.5,415 1,416 3.247,417 1.987,418 1,419 1.5,421 2.136,422 0.773,423 2.117,424 0.718,425 3.228,426 1.643,427 0.669,428 0.952,430 1.578,431 0.631,432 1.326,433 0.328,434 2.896,435 0.986,436 0.078,437 0.094,439 0.199,440 0.043,441 0.964,442 -0.11,443 2.54,444 0.567,445 -0.384,446 -0.49,448 -0.92,449 -0.221,450 0.695,451 -0.373,452 2.194,453 0.239,454 -0.62,455 -0.77,457 -1.413,458 -0.428,459 0.648,460 -0.797,461 2,462 0.147,463 -0.828,464 -1.193,466 -2.347,467 -0.804,468 12.043,469 0.524,470 0.538,471 0.023,472 33,473 1.435,474 18.5,475 0.804,476 14.5,477 0.63,478 17.341,479 0.754,480 22.157,481 0.615,482 20.002,483 0.87,484 6.43,485 0.28,486 4.79,487 0.208,488 0.17,490 0.324,496 0.755,497 0.798,498 0.453,499 0.5,500 0.999,501 0.652,502 0.805,503 1.108,504 0.546,505 0.688,506 0.708,507 0.82,508 0.918,509 1.189,510 0.871,511 0.96,512 0.876,513 1.02,514 1.239,515 1.09,516 1.12,517 1.058,518 1.064,519 1.041,520 1.288,521 1.045,522 1.558,523 1.268,524 1.002,525 0.916,526 1.098,527 1.021,528 2.15,529 1.725,530 1.032,531 1.123,532 0.766,533 0.841,534 1.994,535 1.782,536 0.869,537 1.129,538 1.001,539 0.979,540 1.831,541 1.773,542 1.005,543 1.513,544 4,545 0.073,546 2.889,547 1.736,548 1.049,549 0.66,550 0.502,551 0.262,552 0.056,553 0.118,554 6052,555 17531,556 2.168,557 36.1,559 10,562 3,567 1.655,568 2.06,569 3.213,570 1.075,571 1,572 1,576 1,577 58.502,578 1.625,579 3.649,580 4.205,581 4.76,582 4.837,583 4.837,584 2.682,585 4.263,586 4.495,587 3.384,588 856.222,589 7.731,590 9617.2,592 1,594 1,595 186.117,596 1.302,597 4.469,598 0.154,599 0.006,600 0.078,601 0.05,602 0.036,603 0.024,604 0.019,605 0.012,606 0.004,607 0.009,608 0.392,609 0.33,610 1,611 0.503,612 107.277,613 0.19,614 0.275,615 -0.003,616 0.057,617 -0.109,618 0.065,619 0.069,620 -0.09,621 0.016,622 -0.039,623 -0.001,624 -0.027,625 -0.033,626 -0.208,627 0.03,628 -0.052,629 0.029,630 -0.101,631 -0.2,632 -0.119,633 -0.045,634 -0.007,635 -0.117,636 -0.039,637 -0.197,638 -0.03,639 -0.049,640 0.082,641 -0.021,642 0.138,643 0.027,644 0.063,645 -0.134,646 -0.039,647 0.026,648 -0.05,649 0.412,650 0.235,651 -0.05,652 -0.144,653 0.25,654 -0.048,655 -0.249,656 -0.026,657 -0.277,658 -0.392,659 -0.285,660 -0.429,661 1.103,662 1.907,663 0.87,664 18.805,665 1.006,666 1.121,667 3.318,668 11.007,669 0.771,670 3.296,671 3.638,672 3.951,673 4.22,674 4.382,675 4.454,676 4.635,677 4.771,678 4.796,679 4.828,680 5.699,681 0.71,682 416.25,683 3.296,684 4.844,685 5.714,686 6.6,687 7.484,688 8.375,689 9.265,690 10.16,691 11.053,692 11.95,693 16.7,697 1,701 2,703 3,708 2,709 8,710 3,711 1,714 5,715 1,716 21,727 1,734 1,735 36,737 21,738 2,739 26,741 39,742 16,743 15,744 4,745 8,748 4,749 5,762 15,763 1,780 1,783 13,784 4,785 3,786 7,787 1,788 1,792 6,797 0.75,807 1,815 2,816 2,819 1,843 3,850 1,851 23,852 1,858 1,871 1,873 1,881 11.167,882 6.443,883 4.972,884 1.992,886 3.915,887 1.536,888 1.074,889 3.785,890 11.225,891 3.624,892 4.304,893 4.961,894 5.587,895 6.059,896 6.406,897 6.918,898 7.397,899 7.68,900 8.012,901 1,902 35,903 8.417,905 3.587,906 7.621,907 16.154,909 13.354,911 2.121,912 48.787,916 117.711,917 152.101,918 101.203,922 56.782,923 95.319,924 117.711,925 101.203,927 2.106,928 108.707,929 49.867,930 35.843,932 174.493,934 117.711,935 196.523,938 56.782,939 117.711,943 29.005,944 117.651,945 49.867,946 56.782,947 117.711,948 101.203,949 95.319,950 56.782,952 117.711,953 19.509,954 134.369,955 16.663,956 82.764,957 117.711,958 101.203,959 95.319,960 56.782,961 0.587,962 0.352,963 0.19,964 0.096,965 20,966 8,967 0.077,968 3,969 1,970 1.1,971 3.607,972 190.035,973 0.1,974 20,975 100.042,981 14.656,982 5.939,983 2.724,984 1.744,985 82.764,986 16.126,987 12.762,988 2.792,991 4.58,992 1.897,993 49.56,994 371.016,995 36.5,1007 36.214,1008 40.371,1009 0.314,1010 0.706,1011 0.813,1012 0.921,1013 0.936,1014 0.936,1015 4.846,1016 1.179,1017 5.7,1018 3.233,1019 4.317,1020 4.99,1021 0.434,1022 6.529,1023 4.22,1024 6.08,1025 1.12,1026 7.27,1027 2.954,1028 3.892,1029 4.808,1031 7.452,1032 3.69,1033 7.401,1034 1,1035 8.942,1036 2.761,1037 5.927,1038 7.285,1039 0.138,1040 10.573,1041 5.749,1042 8.765,1043 0.669,1044 10.673,1045 2.136,1046 6.365,1047 7.989,1049 12.343,1050 6.078,1051 10.162,1052 0.078,1053 12.443,1054 1.578,1055 7.845,1056 9.884,1057 0.039,1058 14.963,1059 7.567,1060 11.584,1061 -0.384,1062 14.241,1063 0.199,1064 8.668,1065 11,1067 17.066,1068 8.292,1069 13.024,1070 -0.62,1071 16.057,1072 -0.92,1073 9.931,1074 12.656,1075 0.011,1076 19.515,1077 9.545,1078 3.173,1079 -0.828,1080 17.887,1081 -1.413,1082 10.926,1083 13.969,1085 21.756,1086 10.46,1087 2.991,1088 10.675,1089 19.728,1090 -2.347,1091 12.106,1092 15.524,1093 0.003,1094 24.142,1095 11.613,1096 2.551,1097 9.965,1098 21.578,1099 4.521,1100 13.177,1101 16.93,1103 26.443,1104 12.618,1105 2.234,1106 7.81,1107 23.434,1108 4.124,1109 14.326,1110 18.444,1111 0.001,1112 28.806,1113 13.732,1114 1.869,1115 6.584,1116 25.295,1117 3.452,1118 15.432,1119 19.895,1121 31.133,1122 14.781,1123 1.532,1124 5.412,1125 27.16,1126 3.073,1127 16.571,1128 21.394,1130 33.488,1131 15.88,1132 1.317,1133 4.182,1134 29.029,1135 2.635,1136 17.693,1137 22.866,1139 35.828,1140 16.953,1141 5644,1142 9751,1143 17.8,1144 27.739,1145 39.847,1146 39.797,1147 40.489,1148 39.663,1149 39.429,1150 55.282,1151 1.043,1152 114.979,1153 37.049,1154 5.352,1155 5.33,1156 6.468,1157 5.151,1158 5.173,1159 7.521,1160 1.043,1161 17.875,1162 5.045,1163 8.221,1164 1.533,1165 1.531,1166 1.557,1167 1.526,1168 1.516,1169 2.126,1170 0.04,1171 4.422,1172 1.425,1173 4.122,1174 4.164,1175 10.695,1176 4.06,1177 5.248,1178 4.03,1179 3.949,1180 3.997,1181 4.081,1182 3.89,1183 5.067,1184 3.857,1185 3.775,1186 3.828,1187 3.871,1188 3.8,1189 4.746,1190 3.643,1191 3.374,1192 3.449,1193 3.683,1194 3.228,1195 4.727,1196 3.195,1197 3.065,1198 3.135,1199 3.285,1200 3.077,1201 4.283,1202 2.933,1203 2.897,1204 2.99,1205 2.933,1206 2.873,1207 3.802,1208 2.743,1209 2.854,1210 2.925,1211 2.782,1212 2.735,1213 3.674,1214 2.715,1215 2.687,1216 2.815,1217 2.687,1218 2.647,1219 3.662,1220 2.362,1221 0.176,1222 0.128,1223 0.256,1224 0.159,1225 0.122,1226 4.588,1227 0.174,1228 3.33,1229 0.02,1230 6.666,1231 0.411,1232 4.125,1233 0.117,1234 3.173,1235 4.521,1236 0.522,1237 10.675,1238 3.045,1239 1.946,1240 1.926,1241 2.042,1242 2.016,1243 1.186,1244 2.026,1245 1.911,1246 1.881,1247 2.006,1248 1.996,1249 1.146,1250 2.002,1251 1.456,1252 1.413,1253 1.559,1254 1.748,1255 0.765,1256 1.696,1257 1.394,1258 1.308,1259 1.545,1260 1.66,1261 0.491,1262 1.64,1263 1.211,1264 1.154,1265 1.253,1266 1.407,1267 0.412,1268 1.373,1269 0.886,1270 0.821,1271 1.181,1272 1.106,1273 0.218,1274 1.107,1275 0.829,1276 0.771,1277 1.042,1278 1.062,1279 0.058,1280 1.083,1281 0.771,1282 0.687,1283 0.983,1284 1.028,1285 0.016,1286 1.043,1287 3.97,1289 5.303,1290 3.045,1291 6.828,1292 5.416,1293 8.434,1294 7.496,1295 10.084,1300 2.281,1301 5.907,1303 0.697,1314 25.552,1315 58.502,1316 131.362,1317 151.362,1318 171.362,1319 174.117,1320 174.117,1321 26.163,1322 7.31,1323 85.41,1324 85.41,1325 22,1326 12.475,1327 4.459,1328 3.524,1329 31.934,1330 78,1331 77,1332 0.201,1333 166.678,1334 259.84,1335 398.455,1336 14361,1337 2.8,1338 15.811,1339 0.687,1340 0.619,1341 17.311,1342 14.228,1343 11.22,1344 0.432,1345 0.314,1346 7.065,1347 10.231,1348 6.867,1349 5.688,1350 12.086,1351 8.169,1352 10.152,1353 0.274,1354 0.169,1355 11.152,1356 6.263,1357 9.068,1358 0.178,1359 0.094,1360 10.418,1361 4.775,1362 7.568,1363 0.113,1364 0.048,1365 8.68,1366 3.199,1367 5.809,1368 0.074,1369 0.026,1370 6.649,1371 2.072,1372 0.313,1373 83.57,1374 0.237,1375 22.538,1376 0.56,1377 126,1378 345.874,1379 288.531,1380 388.473,1381 535.03,1382 362,1383 151,1384 389.417,1385 233.472,1386 409.96,1387 597.99,1388 385,1389 5.1}
{0 CHEMBL1975138,1 1.74,2 11.214,3 3.813,4 14.542,5 109.528,6 8.598,7 0.6,8 3.93,9 4.039,10 3.598,11 3.526,12 5.176,13 3.507,14 4.378,15 4.499,16 3.979,17 3.879,18 5.668,19 3.849,20 4.693,21 4.863,22 4.092,23 4.015,24 6.061,25 3.963,26 4.738,27 4.918,28 4.078,29 3.991,30 6.062,31 3.94,32 4.75,33 4.932,34 4.121,35 3.995,36 6.117,37 3.936,38 4.726,39 4.936,40 3.974,41 3.948,42 5.973,43 3.853,44 4.604,45 4.838,46 3.877,47 3.852,48 5.798,49 3.722,50 4.42,51 4.635,52 3.726,53 3.74,54 5.635,55 3.601,56 0.116,57 0.708,58 7.319,59 3.925,60 14.176,61 4.43,62 0.182,63 1.109,64 12.667,65 6.245,66 19.878,67 7.406,68 0.507,69 1.444,70 23.486,71 9.391,72 72.338,73 10.747,74 0.498,75 1.427,76 25.035,77 9.647,78 73.552,79 10.441,80 0.581,81 1.437,82 27.558,83 9.716,84 83.968,85 10.427,86 0.547,87 1.432,88 28.147,89 9.669,90 79.048,91 10.693,92 0.436,93 1.325,94 26.526,95 9.4,96 59.508,97 11.075,98 0.363,99 1.092,100 24.021,101 8.522,102 49.42,103 9.463,104 17,105 41,106 0.296,107 0.513,108 0.626,109 0.749,110 0.769,111 0.769,112 3.374,113 0.887,114 -4.87,115 -4.78,116 -4.49,119 45.7,130 1,142 14,143 2,144 2,158 1,159 1,169 1,172 14,178 1,179 1,180 4,183 15,188 2,191 2,192 2,193 8,196 12,200 4,204 1,205 12,208 8,213 4,216 1,218 14,221 10,225 2,229 1,230 10,233 8,238 2,243 6,246 4,250 2,255 6,258 5,269 4,272 12,276 1320,277 18.747,278 18.747,279 18.747,280 18.747,281 18.747,282 16.274,283 18.565,284 11.263,285 19.036,286 14.772,287 14.772,288 14.772,289 14.772,290 14.772,291 11.171,292 21.497,293 5.32,294 15.281,295 3.784,296 2.508,297 1.844,298 1.12,299 1,300 1,301 4.053,305 1,306 1,307 666,308 4.123,312 326.896,319 1.571,320 36.022,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 61,332 314,333 4.793,334 4.38,335 8.082,336 4.631,337 3.655,338 4.137,339 2.538,340 15.289,341 3.56,342 4.043,343 3.78,344 5.58,345 3.625,346 2.678,347 3.629,348 1.737,349 7.488,350 2.541,351 3.736,352 3.085,353 5.527,354 3.278,355 2.34,356 3.298,357 1.214,358 6.623,359 2.278,360 3.677,361 2.919,362 5.412,363 3.259,364 2.278,365 2.957,366 0.142,367 6.182,368 2.182,369 3.533,370 2.411,371 5.02,372 3.099,373 2.116,374 2.86,376 5.863,377 2.022,378 3.278,379 2.361,380 4.696,381 2.826,382 1.896,383 2.499,385 5.108,386 1.748,387 3.007,388 1.904,389 4.13,390 2.557,391 1.571,392 2.136,394 3.646,395 1.529,396 2.781,397 1.38,398 3.669,399 2.317,400 1.317,401 1.908,403 2.901,404 1.317,405 2.5,406 1.27,407 3.43,408 2,409 1,410 1.5,412 2.275,413 1,414 2.5,415 1.102,416 3.414,417 2,418 1,419 1.5,421 2.2,422 1,423 2.5,424 1,425 3.247,426 2,427 1,428 1.5,430 2.136,431 1,432 2.208,433 1,434 3.247,435 1.838,436 0.879,437 1.108,439 2.136,440 0.836,441 1.704,442 1,443 3.077,444 1.384,445 0.386,446 0.459,448 0.901,449 0.377,450 1.394,451 0.799,452 2.703,453 0.935,454 0.03,455 0.038,457 0.065,458 0.027,459 0.719,460 0.31,461 2.645,462 0.295,463 -0.656,464 -0.798,466 -1.571,467 -0.547,468 13.486,469 0.482,470 0.675,471 0.024,472 37.75,473 1.348,474 21,475 0.75,476 16.75,477 0.598,478 20.656,479 0.738,480 29.114,481 0.633,482 31.206,483 1.114,484 7.982,485 0.285,486 5.515,487 0.197,488 0.132,489 0.037,490 0.222,494 1,496 0.732,497 0.829,498 0.641,499 0.726,500 0.683,501 0.767,502 0.649,503 1.126,504 0.716,505 1.07,506 0.656,507 1.047,508 0.901,509 1.037,510 0.938,511 1.054,512 0.923,513 1.021,514 1.292,515 0.988,516 0.982,517 0.956,518 1.255,519 0.976,520 1.152,521 0.89,522 1.065,523 1.003,524 1.145,525 0.963,526 1.105,527 0.92,528 1.152,529 0.994,530 1.058,531 1.016,532 0.726,533 0.831,534 0.97,535 0.947,536 0.657,537 0.937,538 0.819,539 0.771,540 1.334,541 1.106,542 0.857,543 0.959,544 6,545 0.062,546 3.778,547 2.5,548 1.48,549 0.604,550 0.665,551 0.398,552 0.276,553 0.192,554 9500,555 30915,556 2.025,557 39.1,559 14,562 4,567 1.712,568 1.898,569 3.414,570 1.662,572 1,577 80.032,578 1.74,579 3.016,580 3.68,581 4.404,582 4.524,583 4.524,584 2.843,585 3.736,586 4.777,587 3.598,588 1360,589 8.319,590 18069.2,592 1,594 1,595 254.084,596 1.486,597 4.731,598 0.2,599 0.003,600 0.092,601 0.057,602 0.035,603 0.014,604 0.019,605 0.013,606 0.01,607 0.008,608 0.451,610 1,611 0.573,612 140.664,613 -0.066,614 0.13,615 -0.013,616 0.104,617 -0.119,618 0.078,619 0.068,620 -0.172,621 -0.013,622 -0.206,624 -0.171,625 0.107,626 -0.067,627 -0.032,628 -0.115,629 0.08,630 -0.087,631 -0.148,632 -0.085,633 -0.045,634 -0.028,635 -0.112,636 -0.051,637 -0.079,638 -0.049,639 -0.027,640 -0.03,641 -0.058,642 -0.036,643 -0.143,644 -0.027,645 -0.089,646 -0.011,647 -0.119,648 -0.058,649 0.037,650 0.045,651 0.15,652 0.092,653 0.069,654 0.097,655 -0.008,656 0.146,657 -0.021,658 0.079,659 -0.013,660 0.094,661 3.166,662 5.907,663 0.643,664 26.306,665 1.013,666 1.119,667 3.642,668 13.264,669 0.709,670 3.434,671 3.738,672 3.989,673 4.174,674 4.344,675 4.234,676 4.304,677 4.234,678 4.111,679 4.111,680 6.612,681 0.68,682 395.49,683 3.434,684 4.963,685 5.802,686 6.671,687 7.535,688 8.414,689 9.29,690 10.175,691 11.058,692 11.946,693 6.5,700 3,709 14,714 4,716 18,734 1,735 46,737 20,738 3,739 30,741 48,742 21,743 18,744 4,745 14,748 3,749 3,753 1,762 20,763 1,764 1,767 2,772 1,773 1,776 2,780 1,781 1,783 18,784 6,785 4,786 7,787 1,792 3,795 1,797 1,798 2,801 1,816 3,841 1,843 3,845 1,849 1,851 28,857 1,860 3,865 1,873 1,874 4.3,875 1,877 1,881 14.75,882 7.843,883 6.25,884 2.447,886 2.117,887 1.312,888 0.948,889 6.365,890 8.906,891 3.738,892 4.284,893 4.785,894 5.281,895 5.774,896 5.688,897 6.001,898 6.17,899 6.128,900 6.316,901 1,902 44,903 10.393,905 4.523,906 8.051,907 19.001,909 15.156,911 2.551,912 71.417,915 1,916 164.795,917 201.098,918 53.787,920 67.828,921 14.96,922 45.192,923 155.906,924 232.624,925 68.747,927 53.787,928 175.351,929 29.85,930 18.249,931 15.245,932 164.795,933 45.192,934 164.795,935 209.693,936 82.788,937 45.192,939 179.756,940 25.145,941 42.683,943 53.787,944 155.906,946 45.192,947 179.756,948 121.615,949 201.098,952 164.795,953 23.238,954 132.667,955 53.787,956 127.98,957 164.795,958 136.576,959 201.098,961 0.576,962 0.338,963 0.178,964 0.099,965 18,966 8,967 0.104,968 5,970 1,971 3.907,972 234.899,974 18,975 110.606,978 1,981 19.955,982 8.931,983 4.745,985 136.576,986 22.821,991 1.013,993 96.471,994 502.469,995 41,1000 12.907,1001 5.131,1004 -0.614,1007 46.618,1008 51.495,1009 0.315,1010 0.546,1011 0.666,1012 0.797,1013 0.819,1014 0.819,1015 4.952,1016 1.317,1017 5.802,1018 3.646,1019 4.419,1020 4.97,1021 2.898,1022 6.663,1023 4.356,1024 6.156,1025 1,1026 7.404,1027 2.901,1028 4.111,1029 4.635,1030 2.812,1031 8.071,1032 3.968,1033 7.463,1034 1,1035 9.148,1036 2.275,1037 6.084,1038 7.078,1039 4.163,1040 11.221,1041 5.963,1042 8.812,1043 1,1044 10.992,1045 2.2,1046 6.698,1047 7.532,1048 4.696,1049 13.61,1050 6.517,1051 10.202,1052 0.879,1053 12.909,1054 2.136,1055 8.185,1056 9.466,1057 5.772,1058 16.434,1059 8.01,1060 11.623,1061 0.386,1062 14.879,1063 2.136,1064 9.211,1065 10.314,1066 6.546,1067 19.082,1068 8.996,1069 13.07,1070 0.03,1071 16.887,1072 0.901,1073 10.548,1074 12.009,1075 7.528,1076 21.833,1077 10.323,1078 3.655,1079 -0.656,1080 18.921,1081 0.065,1082 11.743,1083 13.085,1084 8.397,1085 24.541,1086 11.488,1087 2.678,1088 15.289,1089 20.973,1090 -1.571,1091 13.041,1092 14.65,1093 9.346,1094 27.275,1095 12.768,1096 2.34,1097 7.488,1098 23.037,1099 4.137,1100 14.299,1101 15.862,1102 10.252,1103 29.997,1104 13.999,1105 2.278,1106 6.623,1107 25.11,1108 3.629,1109 15.59,1110 17.355,1111 11.189,1112 32.726,1113 15.268,1114 2.116,1115 6.182,1116 27.188,1117 3.298,1118 16.871,1119 18.65,1120 12.11,1121 35.452,1122 16.524,1123 1.896,1124 5.863,1125 29.27,1126 2.957,1127 18.163,1128 20.103,1129 13.043,1130 38.18,1131 17.791,1132 1.571,1133 5.108,1134 31.354,1135 2.86,1136 19.453,1137 21.447,1138 13.97,1139 40.907,1140 19.055,1141 9257,1142 16842,1143 19.761,1144 32.603,1145 45.043,1146 46.32,1147 45.993,1148 44.497,1149 44.291,1150 59.06,1151 11.263,1152 125.626,1153 42.835,1154 5.737,1155 6.38,1156 7.883,1157 5.663,1158 5.655,1159 7.137,1160 4.129,1161 23.242,1162 5.56,1163 13.308,1164 1.501,1165 1.544,1166 1.533,1167 1.483,1168 1.476,1169 1.969,1170 0.375,1171 4.188,1172 1.428,1173 4.013,1174 4.035,1175 3.994,1176 3.947,1177 8.201,1178 3.946,1179 3.908,1180 3.941,1181 3.922,1182 3.827,1183 7.43,1184 3.827,1185 3.808,1186 3.841,1187 3.765,1188 3.753,1189 6.442,1190 3.743,1191 3.562,1192 3.62,1193 3.729,1194 3.39,1195 4.903,1196 3.364,1197 3.334,1198 3.358,1199 3.406,1200 3.219,1201 4.762,1202 3.199,1203 2.987,1204 3.056,1205 2.914,1206 2.743,1207 4.688,1208 2.773,1209 2.854,1210 2.925,1211 2.884,1212 2.735,1213 4.589,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 4.026,1220 2.715,1221 0.16,1222 0.146,1223 0.269,1224 0.154,1225 0.122,1226 4.793,1227 0.138,1228 4.38,1229 0.085,1230 8.082,1231 0.51,1232 4.631,1233 0.119,1234 3.655,1235 4.137,1236 2.538,1237 15.289,1238 3.56,1239 1.976,1240 1.957,1241 2.074,1242 2.06,1243 1.203,1244 2.063,1245 1.879,1246 1.85,1247 1.979,1248 1.987,1249 1.048,1250 1.987,1251 1.824,1252 1.794,1253 1.961,1254 1.905,1255 1.01,1256 1.926,1257 1.425,1258 1.386,1259 1.513,1260 1.713,1261 0.549,1262 1.673,1263 1.236,1264 1.215,1265 1.304,1266 1.435,1267 0.346,1268 1.418,1269 0.886,1270 0.821,1271 1.181,1272 1.184,1273 0.218,1274 1.158,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.111,1289 5.416,1291 6.934,1293 8.549,1295 10.218,1299 12.971,1302 11.298,1305 7.805,1310 -1.916,1314 31.279,1315 80.032,1316 138.723,1317 169.271,1318 202.574,1319 208.084,1320 208.084,1321 67.044,1322 6.789,1323 73.39,1324 105.48,1325 18,1326 12.478,1327 4.392,1328 3.585,1329 49.629,1330 108,1331 130,1332 0.218,1333 198.533,1334 348.2,1335 476.179,1336 7002,1337 2.2,1338 19.985,1339 0.714,1340 0.555,1341 19.615,1342 15.541,1343 13.497,1344 0.45,1345 0.296,1346 8.395,1347 12.819,1348 8.217,1349 6.831,1350 13.392,1351 8.872,1352 11.981,1353 0.292,1354 0.156,1355 11.767,1356 6.391,1357 9.995,1358 0.189,1359 0.081,1360 9.847,1361 4.308,1362 7.684,1363 0.12,1364 0.045,1365 7.793,1366 2.856,1367 6.187,1368 0.081,1369 0.024,1370 6.139,1371 1.853,1372 0.341,1373 87.129,1374 0.225,1375 26.797,1376 0.597,1377 142,1378 479.855,1379 170.288,1380 468.108,1381 616.14,1382 432,1383 165,1384 426.211,1385 188.015,1386 435.674,1387 634.42,1388 410,1389 5.1}
{0 CHEMBL1975208,1 1.833,2 9.88,3 0.893,4 0.798,5 84.745,6 8.295,7 0.407,8 3.871,9 3.978,10 3.494,11 3.321,12 5.136,13 3.353,14 4.4,15 4.567,16 3.911,17 3.717,18 5.726,19 3.738,20 4.662,21 4.841,22 4.033,23 3.858,24 5.977,25 3.873,26 4.758,27 4.953,28 4.07,29 3.846,30 6.229,31 3.865,32 4.733,33 4.93,34 3.905,35 3.785,36 6.145,37 3.786,38 4.622,39 4.852,40 3.694,41 3.666,42 5.899,43 3.617,44 4.512,45 4.751,46 3.528,47 3.485,48 5.94,49 3.429,50 4.267,51 4.504,52 3.321,53 3.263,54 5.625,55 3.22,56 0.216,57 0.703,58 7.333,59 3.507,60 29.601,61 4.122,62 0.508,63 1.111,64 14.988,65 5.707,66 66.781,67 7.403,68 0.733,69 1.379,70 20.766,71 6.927,72 88.735,73 8.973,74 1.073,75 1.427,76 25.314,77 7.744,78 159.892,79 9.911,80 1.135,81 1.407,82 24.975,83 7.192,84 166.359,85 8.652,86 0.843,87 1.2,88 23.187,89 7.106,90 102.02,91 9.575,92 0.955,93 0.929,94 22.42,95 6.442,96 156.685,97 8.803,98 0.698,99 0.723,100 17.216,101 4.81,102 99.597,103 6.695,104 55,105 40,106 0.322,107 0.697,108 0.833,109 0.883,110 0.883,111 0.883,112 3.268,113 0.858,114 -3.61,115 -3.58,116 -3.42,119 38.1,120 2,121 1,125 2,127 1,143 3,144 2,145 1,147 1,149 1,158 2,167 1,170 1,172 2,173 1,174 2,175 6,178 2,180 5,183 2,188 3,189 1,191 1,193 1,194 1,196 1,197 1,199 2,200 8,203 4,204 1,205 2,208 2,209 1,212 1,213 2,214 1,216 1,218 1,221 1,222 1,224 1,225 3,228 2,230 2,233 2,237 1,238 1,239 1,241 1,243 2,249 1,250 1,253 1,255 1,258 2,263 1,264 3,268 1,269 1,272 2,273 1,276 815,277 16.137,278 16.137,279 16.137,280 16.137,281 16.137,282 14.373,283 19.939,284 9.127,285 16.436,286 13.254,287 13.254,288 13.254,289 13.254,290 13.254,291 10.569,292 27.31,293 4.28,294 13.808,295 3.559,296 1.431,297 0.655,298 0.369,299 0.369,300 0.369,301 3.938,305 1,306 1,307 516,308 3.391,311 64.253,312 126.164,316 107.718,319 1.645,320 49.337,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 57.5,332 247,333 4.736,334 3.643,335 6.99,336 4.285,337 3.321,338 4.69,339 1.907,340 11.77,341 3.203,342 4.24,343 3.54,344 6.499,345 3.911,346 2.96,347 3.763,348 1.437,349 10.039,350 2.806,351 3.87,352 3.469,353 6.049,354 3.638,355 2.665,356 3.2,357 0.8,358 8.467,359 2.584,360 3.678,361 3.043,362 5.6,363 3.355,364 2.382,365 2.98,366 0.149,367 7.362,368 2.304,369 3.55,370 2.739,371 5.354,372 3.118,373 2.169,374 2.808,376 6.582,377 2.055,378 3.288,379 2.282,380 4.909,381 2.942,382 1.955,383 2.398,385 5.251,386 1.909,387 2.971,388 2.162,389 4.533,390 2.609,391 1.653,392 2.033,394 4.396,395 1.558,396 2.739,397 1.822,398 4.259,399 2.272,400 1.309,401 1.783,403 3.486,404 1.241,405 2.394,406 1.417,407 3.84,408 2.069,409 1.129,410 1.369,412 2.835,413 1.056,414 1.731,415 1.074,416 3.294,417 1.677,418 0.707,419 0.717,421 1.708,422 0.683,423 1.598,424 0.769,425 3.204,426 1.219,427 0.333,428 0.393,430 0.824,431 0.288,432 1.242,433 0.564,434 3.015,435 0.801,436 -0.131,437 -0.164,439 -0.332,440 -0.119,441 1.073,442 0.517,443 2.6,444 0.743,445 -0.183,446 -0.217,448 -0.483,449 -0.168,450 0.87,451 0.239,452 2.466,453 0.6,454 -0.362,455 -0.4,457 -0.985,458 -0.345,459 0.485,460 0.033,461 2.242,462 0.096,463 -0.936,464 -1.152,466 -2,467 -0.849,468 11.219,469 0.449,470 0.881,471 0.035,472 31,473 1.24,474 14,475 0.56,476 17,477 0.68,478 21.273,479 0.851,480 28.381,481 0.676,482 25.094,483 1.004,484 6.224,485 0.249,486 5.566,487 0.223,488 0.233,490 0.481,494 1,496 0.784,497 1.291,498 0.714,499 1.127,500 0.686,501 0.942,502 0.574,503 1.059,504 0.634,505 0.957,506 0.466,507 0.834,508 0.891,509 1.113,510 0.899,511 1.089,512 0.841,513 1.008,514 0.951,515 1.183,516 0.888,517 0.995,518 0.929,519 0.93,520 1.313,521 1.16,522 1.271,523 1.01,524 1.29,525 1.088,526 0.907,527 1.131,528 1.061,529 1.124,530 0.9,531 1.137,532 0.848,533 0.933,534 0.967,535 0.968,536 0.847,537 1.006,538 0.836,539 0.864,540 0.946,541 0.909,542 0.797,543 0.95,544 6,545 0.135,546 3.333,547 2.66,548 2.165,549 1.254,550 0.643,551 0.383,552 0.296,553 0.157,554 6244,555 22929,556 1.969,557 40.5,558 3,559 5,561 1,562 3,563 3,565 2,567 1.682,568 1.765,569 3.256,570 1.084,572 1,574 1,577 76.99,578 1.833,579 3.961,580 4.737,581 5.023,582 5.023,583 5.023,584 2.759,585 4.164,586 4.609,587 3.414,588 1024.14,589 7.984,590 11936.4,591 1,592 1,595 226.477,596 1.55,597 4.527,598 0.222,599 0.012,600 0.083,601 0.062,602 0.05,603 0.036,604 0.023,605 0.017,606 0.016,607 0.01,608 0.531,609 0.5,610 1,611 1.177,612 119.007,613 -0.127,614 -0.177,615 -0.005,616 -0.007,617 -0.086,618 0.028,619 0.094,620 -0.017,621 0.181,622 0.077,623 0.134,624 0.144,625 -0.061,626 -0.06,627 -0.02,628 -0.093,629 -0.045,630 -0.054,631 0.064,632 -0.092,633 0.082,634 -0.017,635 0.049,636 0.027,637 -0.177,638 0.041,639 -0.286,640 -0.05,641 -0.166,642 -0.168,643 0.006,644 -0.035,645 -0.07,646 -0.135,647 -0.02,648 -0.13,649 0.13,650 0.016,651 0.08,652 0.004,653 0.132,654 0.019,655 0.092,656 0.038,657 0.083,658 0.043,659 0.082,660 0.061,661 3.02,662 6.808,663 0.6,664 21.888,665 1.034,666 1.145,667 2.384,668 5.683,669 0.645,670 3.332,671 3.714,672 4.007,673 4.304,674 4.5,675 4.673,676 4.812,677 4.905,678 5.011,679 4.949,680 5.769,681 0.643,682 348.37,683 3.332,684 4.905,685 5.778,686 6.688,687 7.582,688 8.498,689 9.402,690 10.321,691 11.23,692 12.151,693 9.5,699 1,700 1,703 2,708 2,709 1,710 2,714 5,716 11,725 1,730 1,732 1,734 1,735 42,737 13,739 27,741 44,742 16,743 8,746 1,748 3,749 4,754 2,757 2,760 2,762 10,763 6,767 2,772 2,776 2,779 1,780 1,781 1,783 17,784 9,785 3,786 9,792 4,797 0.667,798 4,809 2,812 1,815 1,816 2,820 1,829 1,841 1,843 2,847 2,849 1,851 25,857 2,858 3,860 1,863 1,864 1,873 1,874 9.5,876 2,877 2,881 14.167,882 8.143,883 5.389,884 2.436,886 2.515,887 1.347,888 0.92,889 4.586,890 9.756,891 3.57,892 4.212,893 4.806,894 5.43,895 6.02,896 6.465,897 6.876,898 7.257,899 7.62,900 7.609,901 0.857,902 43,903 9.365,905 4.238,906 8.353,907 16.828,909 13.906,911 2.853,912 71.333,916 164.795,917 61.167,918 54.706,920 135.657,921 14.96,923 61.167,924 300.452,925 69.666,926 17.65,927 24.757,929 186.613,930 31.952,931 17.288,932 153.024,934 164.795,935 115.873,936 150.617,939 157.929,940 159.199,943 51.455,944 29.132,945 33.571,947 179.756,948 190.363,949 61.167,952 164.795,953 34.469,954 29.822,955 18.011,956 184.188,957 164.795,958 205.323,959 61.167,961 0.6,962 0.351,963 0.192,964 0.098,965 20,966 11,967 0.068,968 3,969 1,970 1.133,971 3.483,972 213.077,973 0.133,974 15,975 116.096,981 17.522,982 6.543,983 3.151,984 0.054,985 205.323,986 0.998,987 8.116,991 -1.443,993 103.377,994 431.285,995 34.5,1000 22.263,1004 -1.503,1007 43.414,1008 48.077,1009 0.34,1010 0.735,1011 0.879,1012 0.932,1013 0.932,1014 0.932,1015 4.85,1016 1.309,1017 5.814,1018 4.396,1019 4.394,1020 4.898,1021 2.496,1022 6.696,1023 4.31,1024 6.094,1025 1.129,1026 7.428,1027 3.486,1028 4.205,1029 4.977,1030 1.668,1031 7.74,1032 4.09,1033 7.438,1034 0.707,1035 9.141,1036 2.835,1037 6.061,1038 7.172,1039 3.304,1040 10.875,1041 5.898,1042 8.815,1043 0.333,1044 10.908,1045 1.708,1046 6.635,1047 8.042,1048 3.047,1049 12.711,1050 6.436,1051 10.223,1052 -0.131,1053 12.71,1054 0.824,1055 8.031,1056 9.809,1057 4.311,1058 15.398,1059 7.789,1060 11.654,1061 -0.183,1062 14.537,1063 -0.332,1064 8.936,1065 11.038,1066 4.412,1067 17.57,1068 8.657,1069 13.103,1070 -0.362,1071 16.382,1072 -0.483,1073 10.175,1074 12.656,1075 5.425,1076 20.103,1077 9.857,1078 3.321,1079 -0.936,1080 18.242,1081 -0.985,1082 11.229,1083 14.053,1084 5.75,1085 22.426,1086 10.872,1087 2.96,1088 11.77,1089 20.113,1090 -2,1091 12.416,1092 15.618,1093 6.608,1094 24.903,1095 12.022,1096 2.665,1097 10.039,1098 21.993,1099 4.69,1100 13.536,1101 17.093,1102 7.068,1103 27.295,1104 13.105,1105 2.382,1106 8.467,1107 23.881,1108 3.763,1109 14.711,1110 18.639,1111 7.834,1112 29.754,1113 14.243,1114 2.169,1115 7.362,1116 25.775,1117 3.2,1118 15.863,1119 20.15,1120 8.374,1121 32.179,1122 15.358,1123 1.955,1124 6.582,1125 27.675,1126 2.98,1127 17.038,1128 21.692,1129 9.088,1130 34.634,1131 16.497,1132 1.653,1133 5.251,1134 29.58,1135 2.808,1136 18.206,1137 23.22,1138 9.674,1139 37.076,1140 17.63,1141 6291,1142 12174,1143 16.937,1144 27.108,1145 41.478,1146 43.115,1147 43.98,1148 41.167,1149 41.169,1150 52.269,1151 8.585,1152 125.439,1153 39.371,1154 5.651,1155 5.643,1156 6.241,1157 5.353,1158 5.321,1159 7.69,1160 3.344,1161 19.484,1162 5.162,1163 16.631,1164 1.536,1165 1.597,1166 1.629,1167 1.525,1168 1.525,1169 1.936,1170 0.318,1171 4.646,1172 1.458,1173 4.095,1174 4.125,1175 4.078,1176 3.982,1177 8.201,1178 4.002,1179 3.848,1180 3.904,1181 3.756,1182 3.682,1183 7.475,1184 3.69,1185 3.584,1186 3.61,1187 3.544,1188 3.417,1189 7.43,1190 3.44,1191 3.475,1192 3.52,1193 3.368,1194 3.256,1195 6.468,1196 3.272,1197 3.19,1198 3.25,1199 3.122,1200 2.939,1201 6.35,1202 2.961,1203 3.079,1204 3.105,1205 2.989,1206 2.808,1207 4.961,1208 2.858,1209 2.892,1210 3.003,1211 2.682,1212 2.679,1213 4.409,1214 2.649,1215 2.83,1216 2.878,1217 2.623,1218 2.529,1219 4.19,1220 2.55,1221 0.175,1222 0.135,1223 0.259,1224 0.159,1225 0.123,1226 4.736,1227 0.174,1228 3.643,1229 0.071,1230 6.99,1231 0.436,1232 4.285,1233 0.119,1234 3.321,1235 4.69,1236 1.907,1237 11.77,1238 3.203,1239 2.003,1240 1.983,1241 2.041,1242 2.128,1243 1.21,1244 2.102,1245 1.647,1246 1.588,1247 1.866,1248 1.871,1249 1.202,1250 1.868,1251 1.553,1252 1.52,1253 1.711,1254 1.758,1255 0.966,1256 1.739,1257 1.396,1258 1.334,1259 1.654,1260 1.615,1261 0.708,1262 1.631,1263 1.332,1264 1.264,1265 1.617,1266 1.565,1267 0.695,1268 1.585,1269 1.072,1270 1.016,1271 1.29,1272 1.38,1273 0.349,1274 1.348,1275 0.83,1276 0.805,1277 0.984,1278 1.176,1279 0.095,1280 1.124,1281 0.704,1282 0.649,1283 0.963,1284 1.071,1286 1.023,1287 4.007,1289 5.371,1290 2.398,1291 6.923,1292 4.595,1293 8.573,1294 6.581,1295 10.281,1297 2.867,1299 14.808,1302 19.191,1303 1.584,1305 2.79,1308 -0.092,1309 1.701,1314 27.016,1315 76.99,1316 166.372,1317 198.968,1318 210.968,1319 210.968,1320 210.968,1321 72.999,1322 7.241,1323 115.65,1324 115.65,1325 17,1326 12.661,1327 3.807,1328 3.087,1329 41.739,1330 87,1331 90,1332 0.249,1333 165.936,1334 293.23,1335 396.645,1336 11779,1337 2.4,1338 18.301,1339 0.732,1340 0.548,1341 17.43,1342 13.707,1343 11.791,1344 0.437,1345 0.286,1346 7.562,1347 11.116,1348 7.375,1349 6.072,1350 11.363,1351 7.723,1352 11.368,1353 0.284,1354 0.151,1355 10.959,1356 6.031,1357 9.233,1358 0.171,1359 0.079,1360 8.544,1361 4.269,1362 8.01,1363 0.11,1364 0.042,1365 7.702,1366 3.073,1367 5.779,1368 0.065,1369 0.021,1370 5.42,1371 1.84,1372 0.381,1373 75.765,1374 0.243,1375 23.878,1376 0.709,1377 134,1378 529.15,1379 154.931,1380 475.88,1381 621.79,1382 438,1383 161,1384 439.737,1385 181.598,1386 434.771,1387 641.19,1388 407,1389 5.1}
{0 CHEMBL1975233,1 1.854,2 10.136,3 2.202,4 4.851,5 80.166,6 9.346,7 0.522,8 3.645,9 3.752,10 3.384,11 3.157,12 4.97,13 3.182,14 4.093,15 4.245,16 3.727,17 3.471,18 5.404,19 3.48,20 4.24,21 4.382,22 3.831,23 3.591,24 5.609,25 3.583,26 4.313,27 4.488,28 3.71,29 3.519,30 5.659,31 3.483,32 4.265,33 4.459,34 3.621,35 3.368,36 5.643,37 3.352,38 4.116,39 4.312,40 3.544,41 3.291,42 5.466,43 3.258,44 4.089,45 4.315,46 3.315,47 3.222,48 5.352,49 3.164,50 3.839,51 4.017,52 3.323,53 3.072,54 5.343,55 3.056,56 0.128,57 0.521,58 4.197,59 2.486,60 8.727,61 2.674,62 0.374,63 0.739,64 9.991,65 4.12,66 28.852,67 4.708,68 0.422,69 0.832,70 11.563,71 4.651,72 38.496,73 4.881,74 0.499,75 0.793,76 18.438,77 5.622,78 46.056,79 6.494,80 0.679,81 0.725,82 16.846,83 4.982,84 62.563,85 5.707,86 0.45,87 0.643,88 13.584,89 4.421,90 47.935,91 5.168,92 0.464,93 0.585,94 18.987,95 4.725,96 57.418,97 5.832,98 0.386,99 0.503,100 9.275,101 3.027,102 53.798,103 3.387,104 30,105 31,106 0.34,107 0.751,108 0.848,109 0.881,110 0.881,111 0.881,112 3.146,113 0.855,114 -2.18,115 -2.23,116 -2.2,119 41.2,120 1,124 1,142 2,143 1,144 3,145 2,146 1,147 1,158 1,159 1,172 2,175 1,178 3,179 1,180 1,183 4,187 2,188 2,191 2,193 1,196 4,199 2,200 2,203 1,205 3,212 2,213 2,216 2,218 2,225 3,228 1,230 2,237 1,238 3,243 1,249 2,250 3,253 1,264 3,276 636,277 14.618,278 14.618,279 14.618,280 14.618,281 14.618,282 12.819,283 20.274,284 8.542,285 15.124,286 11.193,287 11.193,288 11.193,289 11.193,290 11.193,291 8.364,292 26.657,293 3.896,294 11.975,295 3.233,296 0.986,297 0.456,298 0.28,299 0.28,300 0.28,301 3.804,302 1,304 1,305 1,306 1,307 456,308 3.162,312 160.458,319 1.512,320 26.032,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 48.833,332 223,333 4.37,334 4.057,335 6.281,336 3.953,337 3.003,338 4.052,339 2.035,340 9.513,341 2.837,342 4.114,343 3.576,344 5.705,345 3.633,346 2.691,347 3.698,348 1.656,349 7.619,350 2.529,351 3.812,352 3.259,353 5.54,354 3.394,355 2.449,356 3.122,357 0.86,358 7.307,359 2.307,360 3.668,361 2.822,362 5.221,363 3.216,364 2.276,365 2.953,366 0.247,367 6.563,368 2.117,369 3.397,370 2.632,371 4.823,372 2.891,373 1.938,374 2.559,376 5.434,377 1.831,378 3.02,379 2.202,380 4.461,381 2.568,382 1.608,383 2.178,385 4.446,386 1.501,387 2.92,388 2.022,389 3.49,390 1.917,391 1,392 1.5,394 2.275,395 0.915,396 2.5,397 1.667,398 3.414,399 1.731,400 0.887,401 1.087,403 1.971,404 0.703,405 2.025,406 1,407 2.936,408 1.502,409 0.579,410 0.956,412 0.953,413 0.531,414 1.359,415 0.808,416 2.704,417 1.066,418 0.173,419 0.194,421 0.276,422 0.15,423 1.312,424 0.68,425 2.545,426 0.819,427 -0.093,428 -0.121,430 -0.192,431 -0.079,432 0.961,433 0.377,434 2.284,435 0.527,436 -0.384,437 -0.508,439 -0.917,440 -0.305,441 0.687,442 -0.036,443 2.062,444 0.264,445 -0.695,446 -0.86,448 -1.683,449 -0.657,450 0.592,451 -0.292,452 2,453 0.12,454 -0.855,455 -1.23,457 -1.909,458 -0.811,459 0.5,460 -0.49,461 1.408,462 -0.051,463 -1,464 -1.445,466 -2.821,467 -0.932,468 10.381,469 0.472,470 0.558,471 0.025,472 32.75,473 1.489,474 18,475 0.818,476 14.75,477 0.67,478 13.988,479 0.636,480 23.219,481 0.683,482 22.685,483 1.031,484 6.623,485 0.301,486 3.905,487 0.178,488 0.236,490 0.337,496 0.838,497 1.422,498 0.567,499 0.995,500 0.572,501 0.85,502 0.871,503 0.986,504 0.622,505 0.735,506 0.552,507 0.716,508 1.13,509 1.069,510 1.042,511 1.018,512 0.962,513 1.035,514 1.104,515 1.14,516 1.34,517 1.353,518 0.942,519 1.243,520 1.125,521 0.895,522 0.936,523 0.929,524 1.163,525 0.956,526 1.002,527 1.02,528 0.873,529 1.064,530 1.05,531 1.039,532 1.212,533 0.833,534 1.337,535 0.952,536 1.249,537 0.889,538 1.131,539 0.824,540 0.894,541 0.792,542 1.037,543 0.893,544 5.5,545 0.091,546 2.444,547 1.375,548 1.467,549 0.694,550 0.446,551 0.212,552 0.193,553 0.158,554 4751,555 18596,556 1.944,557 35.3,558 3,559 5,561 2,562 2,567 1.643,568 1.784,569 3.294,570 0.438,572 1,574 1,577 63.042,578 1.854,579 4.102,580 4.631,581 4.808,582 4.808,583 4.808,584 2.754,585 4.096,586 4.431,587 3.444,588 795.529,589 7.599,590 8936.78,591 1,592 1,594 1,595 172.974,596 1.529,597 4.365,598 0.239,599 0.009,600 0.079,601 0.043,602 0.054,603 0.029,604 0.021,605 0.011,606 0.011,607 0.011,608 0.508,609 0.5,610 1,611 1.003,612 102.355,613 -0.13,614 -0.261,615 0.003,616 -0.094,617 -0.049,618 -0.022,619 0.053,620 0.071,621 0.128,622 0.196,623 0.073,624 0.182,625 -0.145,626 0.003,627 -0.159,628 -0.088,629 -0.117,630 -0.177,631 -0.055,632 -0.203,633 -0.209,634 -0.349,635 -0.016,636 -0.268,637 0.114,638 0.009,639 0.028,640 0.029,641 0.021,642 0.014,643 0.032,644 -0.095,645 0.104,646 -0.087,647 0.041,648 -0.043,649 -0.14,650 0.009,651 -0.071,652 0.099,653 -0.109,654 0.197,655 -0.003,656 0.165,657 0.007,658 0.141,659 0.12,660 0.023,661 2.197,662 4.947,663 0.545,664 17.355,665 1.03,666 1.133,667 0.954,668 0.91,669 0.701,670 3.178,671 3.466,672 3.664,673 3.829,674 4.025,675 3.951,676 3.85,677 3.761,678 3.714,679 3.829,680 5.897,681 0.69,682 317.76,683 3.178,684 4.691,685 5.509,686 6.361,687 7.198,688 8.052,689 8.894,690 9.748,691 10.594,692 11.447,693 14.7,700 2,702 1,703 2,709 4,710 2,714 6,716 12,718 1,733 1,734 1,735 34,737 14,738 1,739 23,741 35,742 14,743 10,744 4,745 2,748 2,749 2,750 1,753 1,754 1,761 1,762 11,763 2,767 1,772 1,776 1,779 1,780 1,783 12,784 7,785 2,786 8,787 1,792 5,797 1,798 2,806 1,816 2,843 2,847 2,848 1,851 22,860 2,861 1,866 1,870 1,872 1,873 1,874 5.9,877 1,879 1,881 12.333,882 6.91,883 5.056,884 1.757,886 2.365,887 1.371,888 0.941,889 5.156,890 8.741,891 3.497,892 4.043,893 4.559,894 5.048,895 5.55,896 5.616,897 5.662,898 5.69,899 5.621,900 6.101,901 0.857,902 32,903 8.008,905 3.261,906 8.126,907 14.531,909 10.919,911 2.626,912 57.778,916 117.711,917 97.404,918 100.652,919 39.149,920 36.145,923 97.404,924 193.004,925 100.652,926 19.708,927 36.022,928 18.952,929 98.86,930 77.597,931 6.604,932 94.169,933 39.149,934 117.711,935 198.056,936 36.145,937 39.149,939 117.711,940 36.145,943 96.758,944 67.727,945 72.72,947 117.711,948 136.797,949 136.553,952 117.711,953 24.047,954 56.756,955 52.623,956 139.924,957 117.711,958 136.797,959 136.553,961 0.573,962 0.337,963 0.17,964 0.095,965 13,966 7,967 0.086,968 3,970 1,971 3.378,972 158.768,974 12,975 98.107,981 16.027,982 7.078,983 4.081,985 136.797,986 5.871,987 7.696,991 2.642,993 36.022,994 391.061,995 32,1000 11.947,1004 -0.53,1007 35.022,1008 38.515,1009 0.364,1010 0.806,1011 0.91,1012 0.945,1013 0.945,1014 0.945,1015 4.718,1016 0.887,1017 5.493,1018 2.275,1019 4.143,1020 4.727,1021 2.745,1022 6.252,1023 4.013,1024 5.939,1025 0.579,1026 7.031,1027 1.971,1028 3.761,1029 4.543,1030 1.195,1031 7.05,1032 3.575,1033 7.243,1034 0.173,1035 8.66,1036 0.953,1037 5.7,1038 6.893,1039 3.841,1040 10.065,1041 5.459,1042 8.575,1043 -0.093,1044 10.338,1045 0.276,1046 6.066,1047 7.454,1048 2.324,1049 11.604,1050 5.755,1051 9.931,1052 -0.384,1053 12.047,1054 -0.192,1055 7.501,1056 9.306,1057 5.126,1058 14.151,1059 7.146,1060 11.303,1061 -0.695,1062 13.775,1063 -0.917,1064 8.215,1065 10.224,1066 3.407,1067 16.033,1068 7.789,1069 12.689,1070 -0.855,1071 15.518,1072 -1.683,1073 9.44,1074 11.855,1075 6.48,1076 18.401,1077 8.971,1078 3.003,1079 -1,1080 17.272,1081 -1.909,1082 10.332,1083 12.969,1084 4.464,1085 20.459,1086 9.793,1087 2.691,1088 9.513,1089 19.035,1090 -2.821,1091 11.467,1092 14.487,1093 7.863,1094 22.753,1095 10.883,1096 2.449,1097 7.619,1098 20.807,1099 4.052,1100 12.449,1101 15.714,1102 5.504,1103 24.903,1104 11.799,1105 2.276,1106 7.307,1107 22.585,1108 3.698,1109 13.547,1110 17.171,1111 9.26,1112 27.168,1113 12.849,1114 1.938,1115 6.563,1116 24.369,1117 3.122,1118 14.578,1119 18.464,1120 6.531,1121 29.365,1122 13.817,1123 1.608,1124 5.434,1125 26.158,1126 2.953,1127 15.663,1128 19.889,1129 10.666,1130 31.619,1131 14.85,1132 1,1133 4.446,1134 27.953,1135 2.559,1136 16.718,1137 21.22,1138 7.551,1139 33.842,1140 15.846,1141 4859,1142 9734,1143 14.622,1144 23.841,1145 34.609,1146 37.291,1147 35.237,1148 33.217,1149 33.206,1150 44.598,1151 9.596,1152 92.717,1153 30.843,1154 5.243,1155 6.057,1156 5.834,1157 5.021,1158 5.003,1159 7.052,1160 4.069,1161 16.216,1162 4.837,1163 13.155,1164 1.505,1165 1.621,1166 1.532,1167 1.444,1168 1.444,1169 1.939,1170 0.417,1171 4.031,1172 1.341,1173 3.96,1174 3.986,1175 4.034,1176 3.878,1177 7.431,1178 3.879,1179 3.852,1180 3.898,1181 3.835,1182 3.681,1183 6.821,1184 3.713,1185 3.464,1186 3.513,1187 3.496,1188 3.211,1189 4.973,1190 3.253,1191 3.288,1192 3.345,1193 3.331,1194 3.049,1195 4.938,1196 3.063,1197 3.159,1198 3.23,1199 3.101,1200 2.949,1201 4.629,1202 2.959,1203 3.023,1204 3.087,1205 2.988,1206 2.8,1207 4.152,1208 2.821,1209 2.782,1210 2.835,1211 2.829,1212 2.657,1213 4.055,1214 2.628,1215 2.701,1216 2.792,1217 2.575,1218 2.473,1219 3.984,1220 2.489,1221 0.19,1222 0.176,1223 0.273,1224 0.172,1225 0.131,1226 4.37,1227 0.176,1228 4.057,1229 0.088,1230 6.281,1231 0.414,1232 3.953,1233 0.123,1234 3.003,1235 4.052,1236 2.035,1237 9.513,1238 2.837,1239 1.904,1240 1.886,1241 1.981,1242 2.016,1243 1.132,1244 2.006,1245 1.762,1246 1.715,1247 1.828,1248 1.951,1249 0.755,1250 1.924,1251 1.341,1252 1.289,1253 1.599,1254 1.619,1255 0.629,1256 1.591,1257 1.219,1258 1.157,1259 1.519,1260 1.534,1261 0.554,1262 1.541,1263 1.122,1264 1.052,1265 1.33,1266 1.35,1267 0.265,1268 1.368,1269 0.935,1270 0.884,1271 1.102,1272 1.193,1273 0.125,1274 1.165,1275 0.778,1276 0.723,1277 1.023,1278 0.949,1279 0.045,1280 0.987,1281 0.645,1282 0.561,1283 0.868,1284 0.922,1286 0.924,1287 3.85,1289 5.142,1291 6.627,1293 8.198,1295 9.814,1297 3.332,1298 6.04,1305 5.11,1306 5.197,1312 8.633,1313 1.841,1314 23.471,1315 63.042,1316 139.464,1317 157.464,1318 163.464,1319 163.464,1320 163.464,1321 41.48,1322 6.377,1323 99.93,1324 99.93,1325 12,1326 12.004,1327 3.907,1328 3.322,1329 42.383,1330 78,1331 84,1332 0.269,1333 154.227,1334 268.27,1335 368.073,1336 4279,1337 2.9,1338 16.113,1339 0.732,1340 0.573,1341 16.613,1342 12.601,1343 10.528,1344 0.458,1345 0.285,1346 6.076,1347 9.711,1348 5.845,1349 4.911,1350 10.817,1351 6.553,1352 9.226,1353 0.298,1354 0.151,1355 9.597,1356 4.687,1357 7.496,1358 0.197,1359 0.083,1360 7.898,1361 3.144,1362 5.651,1363 0.126,1364 0.04,1365 5.87,1366 1.805,1367 4.504,1368 0.082,1369 0.022,1370 4.736,1371 1.193,1372 0.425,1373 70.117,1374 0.262,1375 21.904,1376 0.729,1377 108,1378 411.276,1379 137.077,1380 426.5,1381 555.56,1382 394,1383 123,1384 371.89,1385 147.687,1386 388.289,1387 554.84,1388 360,1389 5.1}
{0 CHEMBL1975256,1 1.989,2 9.731,3 2.724,4 7.418,5 103.978,6 10.735,7 0.69,8 3.782,9 3.881,10 3.724,11 3.373,12 5.134,13 3.36,14 4.175,15 4.283,16 4.066,17 3.73,18 5.484,19 3.695,20 4.248,21 4.397,22 3.933,23 3.585,24 5.619,25 3.567,26 4.276,27 4.425,28 4.088,29 3.586,30 5.7,31 3.627,32 4.287,33 4.428,34 4.088,35 3.621,36 5.699,37 3.658,38 4.278,39 4.413,40 4.044,41 3.574,42 5.719,43 3.592,44 4.257,45 4.414,46 3.828,47 3.445,48 5.789,49 3.453,50 4.068,51 4.262,52 3.516,53 3.31,54 5.304,55 3.234,56 0.251,57 0.683,58 2.883,59 2.812,60 13.677,61 2.2,62 0.327,63 1.014,64 7.424,65 5.006,66 18.979,67 4.002,68 0.487,69 1.007,70 14.636,71 5.586,72 37.793,73 4.786,74 0.543,75 1.051,76 9.019,77 4.224,78 32.073,79 3.23,80 0.485,81 1.056,82 9.646,83 4.524,84 33.479,85 2.923,86 0.469,87 0.992,88 10.324,89 4.934,90 33.449,91 3.202,92 0.663,93 0.895,94 11.768,95 4.962,96 59.983,97 3.611,98 0.527,99 0.749,100 11.683,101 4.473,102 49.411,103 3.384,104 5,105 40,106 0.351,107 0.704,108 0.804,109 0.853,110 0.882,111 0.902,112 3.305,113 0.925,114 -4.03,115 -3.98,116 -3.77,119 38.9,142 4,146 1,147 2,151 2,152 3,155 1,158 1,163 1,164 1,165 1,166 4,168 1,172 2,174 3,177 1,178 2,183 4,187 5,188 4,190 3,191 4,199 6,200 6,202 1,203 3,205 2,212 4,213 6,215 1,216 1,218 3,224 1,225 10,228 1,230 3,235 2,237 3,238 6,240 1,241 3,242 1,243 1,245 1,248 1,249 2,250 5,252 1,253 1,264 2,272 4,276 1102,277 17.966,278 17.966,279 17.966,280 17.966,281 17.966,282 15.279,283 12.198,284 10.753,285 18.611,286 14.326,287 14.326,288 14.326,289 14.326,290 14.326,291 10.358,292 8.953,293 5.077,294 15.359,295 3.181,296 1.178,297 0.611,298 0.333,299 0.167,300 0.056,301 3.997,304 1,305 1,306 1,307 557,308 3.082,311 298,319 1.541,320 25.024,323 1,324 0.83,325 1,326 0.4,328 0.83,329 0.5,330 0.65,331 58,332 253,333 4.653,334 3.615,335 7.009,336 4.251,337 3.298,338 4.388,339 0.98,340 11.974,341 3.141,342 4.172,343 3.224,344 6.283,345 3.757,346 2.802,347 3.778,349 9.3,350 2.671,351 3.968,352 2.747,353 5.694,354 3.461,355 2.549,356 3.543,358 7.444,359 2.332,360 3.834,361 2.616,362 5.352,363 3.383,364 2.444,365 3.327,367 6.993,368 2.257,369 3.473,370 2.19,371 5.105,372 2.991,373 2.047,374 2.788,376 5.776,377 1.915,378 3.006,379 1.8,380 4.398,381 2.479,382 1.536,383 2.113,385 3.955,386 1.444,387 2.777,388 1.694,389 3.901,390 2.292,391 1.336,392 1.856,394 3.061,395 1.266,396 2.675,397 1.282,398 3.732,399 2.178,400 1.223,401 1.721,403 2.811,404 1.158,405 2.561,406 1.202,407 3.536,408 2.102,409 1.132,410 1.585,412 2.561,413 1.096,414 2.367,415 1.077,416 3.393,417 1.857,418 0.892,419 1.251,421 2.102,422 0.853,423 2.192,424 0.833,425 3.235,426 1.6,427 0.618,428 0.949,430 1.598,431 0.598,432 2.118,433 0.618,434 3.054,435 1.556,436 0.618,437 0.927,439 1.502,440 0.573,441 2.118,442 0.618,443 3,444 1.463,445 0.618,446 0.927,448 1.372,449 0.506,450 2.118,451 0.618,452 3,453 1.459,454 0.618,455 0.927,457 1.372,458 0.504,459 1.138,460 0.432,461 2.528,462 0.705,463 -0.272,464 -0.352,466 -0.629,467 -0.262,468 12.533,469 0.482,470 0.521,471 0.02,472 36.75,473 1.413,474 19.5,475 0.75,476 17.25,477 0.663,478 18.255,479 0.702,480 26.467,481 0.735,482 26.25,483 1.01,484 7.395,485 0.284,486 5.343,487 0.205,488 0.059,490 0.311,496 0.623,497 0.803,498 0.671,499 0.651,500 0.67,501 0.648,502 0.7,503 1.093,504 0.953,505 1.018,506 0.639,507 0.911,508 0.677,509 1.125,510 1.169,511 1.243,512 0.859,513 1.115,514 1.01,515 1.029,516 0.652,517 0.749,518 0.945,519 0.709,520 1.214,521 1.13,522 0.812,523 0.912,524 1.273,525 0.803,526 1.309,527 1.287,528 0.936,529 1.2,530 1.548,531 1.075,532 1.362,533 0.927,534 1.025,535 0.91,536 1.647,537 1.028,538 1.478,539 0.714,540 1.158,541 0.78,542 1.634,543 1.015,544 3.5,545 0.073,546 2.889,547 1.528,548 1.22,549 0.778,550 0.534,551 0.257,552 0.15,553 0.095,554 8121,555 29889,556 2.148,557 27.8,559 4,560 2,561 1,562 3,567 1.694,568 2.053,569 3.225,570 1.164,571 1,572 1,577 71.595,578 1.989,579 3.992,580 4.559,581 4.837,582 5.003,583 5.114,584 2.676,585 4.316,586 4.668,587 3.448,588 1120.68,589 8.111,590 13958.2,591 1,592 1,594 1,595 186.117,596 1.239,597 4.65,598 0.121,599 0.004,600 0.072,601 0.044,602 0.03,603 0.019,604 0.015,605 0.009,606 0.007,607 0.005,608 0.327,609 0.33,610 1,611 0.465,612 126.434,613 0.15,614 0.285,615 0.023,616 0.194,617 -0.062,618 0.096,619 0.043,620 -0.024,621 -0.071,622 -0.042,623 0.01,624 -0.071,625 0.255,626 -0.111,627 -0.178,628 -0.254,629 0.15,630 -0.184,631 0.067,632 -0.001,633 0.114,634 0.053,635 0.07,636 0.087,637 -0.172,638 -0.092,639 -0.014,640 -0.071,641 -0.13,642 -0.008,643 -0.196,644 -0.301,645 -0.028,646 -0.271,647 -0.124,648 -0.202,649 -0.023,650 -0.001,651 -0.144,652 -0.029,653 0.057,654 -0.119,655 -0.33,656 0.192,657 -0.133,658 0.197,659 -0.397,660 0.044,661 2.178,662 5.534,663 0.769,664 23.722,665 1.042,666 1.129,667 2.796,668 7.818,669 0.75,670 3.401,671 3.714,672 4.025,673 4.317,674 4.357,675 4.533,676 4.635,677 4.673,678 4.663,679 4.615,680 6.064,681 0.736,682 386.46,683 3.401,684 4.934,685 5.796,686 6.678,687 7.561,688 8.454,689 9.346,690 10.246,691 11.145,692 12.049,693 22.2,697 1,700 1,701 1,702 1,703 4,709 6,710 4,712 1,713 2,714 6,715 1,716 20,727 1,735 36,737 22,739 29,741 39,742 14,743 12,746 2,748 4,749 4,751 1,762 14,767 2,772 1,774 1,775 1,776 1,779 1,780 1,783 10,784 9,785 3,786 12,787 2,792 8,797 1,798 2,815 4,843 4,845 2,851 26,852 1,860 1,869 2,871 1,874 5.6,877 1,879 1,881 12.667,882 6.533,883 5.75,884 1.84,886 3.15,887 1.443,888 1.018,889 4.859,890 10.269,891 3.738,892 4.344,893 4.973,894 5.59,895 5.809,896 6.299,897 6.677,898 7.012,899 7.27,900 7.465,901 1,902 35,903 9.49,905 4.074,906 7.936,907 17.488,909 13.971,911 2.436,912 63.333,916 82.398,917 142.397,918 141.622,920 35.106,922 62.555,923 79.841,924 117.504,925 141.622,927 17.888,928 86.1,929 123.065,930 31.157,931 33.672,932 109.64,934 82.398,935 221.463,936 35.106,937 62.555,939 82.398,940 35.106,943 39.085,944 100.934,945 81.444,946 62.555,947 82.398,948 176.728,949 142.397,952 82.398,953 80.146,954 64.027,955 17.888,956 157.063,957 82.398,958 176.728,959 142.397,961 0.575,962 0.346,963 0.196,964 0.087,965 20,966 8,967 0.128,968 5,970 1,971 3.861,972 222.46,974 20,975 122.211,977 2,981 16.997,982 7.432,983 3.459,985 174.951,986 11.236,987 15.181,989 4.615,990 2.919,991 2.362,992 1.315,993 50.785,994 401.522,995 41,1000 12.534,1002 1.553,1003 3.943,1004 -0.512,1007 37.505,1008 40.66,1009 0.385,1010 0.772,1011 0.882,1012 0.936,1013 0.968,1014 0.989,1015 4.949,1016 1.223,1017 5.765,1018 3.061,1019 4.394,1020 5.03,1021 1.072,1022 6.592,1023 4.268,1024 6.158,1025 1.132,1026 7.327,1027 2.811,1028 3.892,1029 4.677,1031 7.557,1032 3.72,1033 7.459,1034 0.892,1035 8.999,1036 2.561,1037 5.984,1038 7.227,1039 1.045,1040 10.72,1041 5.747,1042 8.806,1043 0.618,1044 10.741,1045 2.102,1046 6.431,1047 7.865,1049 12.61,1050 6.143,1051 10.191,1052 0.618,1053 12.529,1054 1.598,1055 7.904,1056 9.719,1057 1.019,1058 15.284,1059 7.57,1060 11.603,1061 0.618,1062 14.351,1063 1.502,1064 8.757,1065 10.796,1067 17.524,1068 8.373,1069 13.035,1070 0.618,1071 16.195,1072 1.372,1073 10.018,1074 12.39,1075 0.993,1076 20.059,1077 9.592,1078 3.298,1079 -0.272,1080 18.058,1081 1.372,1082 11.049,1083 13.671,1085 22.439,1086 10.576,1087 2.802,1088 11.974,1089 19.934,1090 -0.629,1091 12.241,1092 15.168,1093 0.967,1094 24.932,1095 11.725,1096 2.549,1097 9.3,1098 21.821,1099 4.388,1100 13.351,1101 16.543,1103 27.369,1104 12.79,1105 2.444,1106 7.444,1107 23.716,1108 3.778,1109 14.525,1110 18.009,1111 0.942,1112 29.85,1113 13.92,1114 2.047,1115 6.993,1116 25.62,1117 3.543,1118 15.672,1119 19.43,1121 32.312,1122 15.022,1123 1.536,1124 5.776,1125 27.529,1126 3.327,1127 16.845,1128 20.889,1129 0.917,1130 34.791,1131 16.15,1132 1.336,1133 3.955,1134 29.443,1135 2.788,1136 18.011,1137 22.332,1139 37.264,1140 17.269,1141 7648,1142 14886,1143 19.879,1144 27.011,1145 44.477,1146 44.477,1147 44.148,1148 43.394,1149 43.461,1150 60.161,1151 1.96,1152 123.641,1153 40.627,1154 5.458,1155 5.615,1156 6.666,1157 5.344,1158 5.298,1159 7.172,1160 1.96,1161 19.472,1162 5.075,1163 8.884,1164 1.534,1165 1.534,1166 1.522,1167 1.496,1168 1.499,1169 2.075,1170 0.068,1171 4.263,1172 1.401,1173 4.046,1174 4.09,1175 4.257,1176 3.967,1177 7.43,1178 3.925,1179 3.862,1180 3.876,1181 4.213,1182 3.903,1183 5.443,1184 3.817,1185 3.773,1186 3.797,1187 3.909,1188 3.611,1189 5.024,1190 3.626,1191 3.618,1192 3.657,1193 3.642,1194 3.363,1195 4.849,1196 3.418,1197 3.326,1198 3.41,1199 3.303,1200 3.013,1201 4.809,1202 3.06,1203 2.958,1204 3.005,1205 2.906,1206 2.684,1207 4.619,1208 2.734,1209 2.803,1210 2.927,1211 2.683,1212 2.376,1213 4.47,1214 2.341,1215 2.478,1216 2.557,1217 2.681,1218 2.376,1219 3.645,1220 2.297,1221 0.16,1222 0.125,1223 0.242,1224 0.147,1225 0.114,1226 4.653,1227 0.151,1228 3.615,1229 0.034,1230 7.009,1231 0.413,1232 4.251,1233 0.108,1234 3.298,1235 4.388,1236 0.98,1237 11.974,1238 3.141,1239 1.689,1240 1.668,1241 1.73,1242 1.857,1243 0.903,1244 1.819,1245 1.563,1246 1.531,1247 1.69,1248 1.769,1249 0.75,1250 1.726,1251 1.442,1252 1.405,1253 1.566,1254 1.623,1255 0.651,1256 1.617,1257 1.422,1258 1.389,1259 1.502,1260 1.563,1261 0.61,1262 1.58,1263 1.369,1264 1.345,1265 1.375,1266 1.52,1267 0.436,1268 1.496,1269 1.204,1270 1.199,1271 1.197,1272 1.443,1273 0.293,1274 1.421,1275 0.966,1276 0.9,1277 1.04,1278 1.277,1280 1.277,1281 0.812,1282 0.743,1283 0.918,1284 1.17,1286 1.101,1287 4.078,1289 5.389,1290 3.714,1291 6.872,1292 5.938,1293 8.445,1294 7.908,1295 10.075,1301 5.739,1305 2.448,1314 26.502,1315 71.595,1316 143.711,1317 164.117,1318 174.117,1319 180.117,1320 184.117,1321 39.542,1322 7.119,1323 137.11,1324 193.59,1325 20,1326 12.569,1327 4.524,1328 3.7,1329 37.901,1330 90,1331 101,1332 0.199,1333 170.824,1334 273.92,1335 408.571,1336 10633,1338 17.933,1339 0.69,1340 0.56,1341 18.64,1342 14.568,1343 12.737,1344 0.439,1345 0.308,1346 7.186,1347 11.037,1348 6.947,1349 5.76,1350 13.645,1351 8.946,1352 11.158,1353 0.279,1354 0.17,1355 12.351,1356 6.79,1357 9.722,1358 0.177,1359 0.089,1360 11.007,1361 4.921,1362 8.344,1363 0.113,1364 0.047,1365 9.612,1366 3.468,1367 5.314,1368 0.069,1369 0.021,1370 6.021,1371 1.618,1372 0.307,1373 90.68,1374 0.224,1375 25.029,1376 0.559,1377 138,1378 508.708,1379 201.645,1380 531.079,1381 725.9,1382 494,1383 164,1384 531.67,1385 221.959,1386 552.64,1387 797.68,1388 517,1389 5.1}
{0 CHEMBL1975357,1 1.436,2 9.333,3 5.449,4 29.694,5 106.016,6 6.769,7 0.5,8 4.072,9 4.198,10 3.572,11 3.601,12 5.063,13 3.564,14 4.663,15 4.851,16 3.982,17 4.032,18 5.634,19 3.973,20 4.948,21 5.167,22 3.973,23 4.185,24 5.823,25 4.085,26 5.042,27 5.308,28 4.058,29 4.179,30 5.963,31 4.086,32 4.919,33 5.136,34 4.014,35 4.123,36 5.981,37 4.063,38 4.863,39 5.064,40 3.972,41 4.164,42 5.858,43 4.069,44 4.936,45 5.17,46 3.837,47 4.148,48 5.857,49 4.013,50 4.85,51 5.097,52 3.615,53 4.024,54 5.676,55 3.861,56 0.031,57 0.783,58 12.379,59 5.153,60 9.243,61 7.169,62 0.368,63 1.303,64 23.759,65 8.793,66 30.891,67 12.583,68 0.313,69 1.597,70 32.345,71 11.569,72 34.667,73 16.428,74 0.319,75 1.704,76 36.139,77 12.122,78 43.703,79 17.954,80 0.467,81 1.572,82 32.152,83 9.675,84 61.346,85 14.024,86 0.335,87 1.525,88 29.253,89 10.767,90 40.406,91 15.335,92 0.359,93 1.553,94 31.885,95 11.819,96 47.989,97 16.943,98 0.217,99 1.398,100 29.171,101 11.097,102 31.922,103 15.939,104 20,105 44,106 0.238,107 0.553,108 0.698,109 0.761,110 0.784,111 0.784,112 3.341,113 0.98,114 -4.62,115 -4.54,116 -4.27,119 40.7,120 3,121 5,127 1,130 1,142 4,143 2,145 1,151 1,152 2,159 1,160 1,172 9,174 4,175 9,183 12,188 6,196 6,199 1,200 18,208 3,212 1,213 9,221 4,224 2,225 8,233 14,237 2,238 3,246 13,250 8,258 10,264 7,272 4,276 1098,277 17.999,278 17.999,279 17.999,280 17.999,281 17.999,282 16.224,283 15.768,284 10.552,285 18.375,286 14.863,287 14.863,288 14.863,289 14.863,290 14.863,291 12.076,292 18.04,293 5.025,294 15.487,295 4.319,296 2.416,297 1.542,298 1.163,299 1.024,300 1.024,301 4.033,305 1,306 1,307 542,308 3.674,311 116.925,312 140.808,315 101.941,319 1.407,320 19.325,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 57.5,332 252,333 4.739,334 3.85,335 6.989,336 4.299,337 3.337,338 4.683,339 2.172,340 11.926,341 3.218,342 4.314,343 3.323,344 6.586,345 4.071,346 3.131,347 3.916,348 0.262,349 10.469,350 2.929,351 4.136,352 3.184,353 6.422,354 3.896,355 2.951,356 3.286,358 10.023,359 2.785,360 3.702,361 2.91,362 5.91,363 3.393,364 2.421,365 2.949,367 8.059,368 2.342,369 3.464,370 2.315,371 5.44,372 3.176,373 2.194,374 2.722,376 6.655,377 2.142,378 3.156,379 1.828,380 4.787,381 2.768,382 1.793,383 2.322,385 4.876,386 1.745,387 2.937,388 1.765,389 4.311,390 2.427,391 1.441,392 2.074,394 3.752,395 1.412,396 2.681,397 1.46,398 3.936,399 2.403,400 1.425,401 1.75,403 3.206,404 1.389,405 2.589,406 1.221,407 3.588,408 2.166,409 1.194,410 1.604,412 2.79,413 1.157,414 2.399,415 1.035,416 3.553,417 2,418 1,419 1.326,421 2.385,422 1,423 2.058,424 1,425 3.365,426 1.862,427 0.912,428 1,430 2.136,431 0.86,432 2.006,433 0.787,434 3.325,435 1.721,436 0.778,437 0.969,439 1.946,440 0.732,441 2,442 0.747,443 3.247,444 1.485,445 0.519,446 0.757,448 1.364,449 0.498,450 0.883,451 0.572,452 2.879,453 0.521,454 -0.43,455 -0.508,457 -1.204,458 -0.398,459 0.723,460 -0.503,461 2.469,462 0.37,463 -0.592,464 -0.66,466 -1.392,467 -0.566,468 12.867,469 0.477,470 0.82,471 0.03,472 31.25,473 1.157,474 13.5,475 0.5,476 17.75,477 0.657,478 27.308,479 1.011,480 29.733,481 0.551,482 22.477,483 0.832,484 5.447,485 0.202,486 7.491,487 0.277,488 0.142,489 0.039,490 0.295,496 0.758,497 1.468,498 0.851,499 1.216,500 0.605,501 1.07,502 0.645,503 1.071,504 0.822,505 0.975,506 0.418,507 0.923,508 1.308,509 1.119,510 1.079,511 1.053,512 0.807,513 1.045,514 0.948,515 0.973,516 0.736,517 0.849,518 0.936,519 0.773,520 1.878,521 0.912,522 1.157,523 0.815,524 2.268,525 0.874,526 1.032,527 1.137,528 1.108,529 1.129,530 1.081,531 1.126,532 0.921,533 1.08,534 1.124,535 1.154,536 0.965,537 1.163,538 0.875,539 1.192,540 1.149,541 1.252,542 0.958,543 1.241,544 5.5,545 0.099,546 3.111,547 2.257,548 1.518,549 0.962,550 0.888,551 0.497,552 0.316,553 0.221,554 7960,555 16488,556 2.088,557 50,558 6,559 5,560 1,561 2,564 13,567 1.708,568 1.94,569 3.198,570 -0.806,577 77.52,578 1.436,579 3.339,580 4.213,581 4.592,582 4.731,583 4.731,584 2.672,585 4.431,586 4.725,587 3.351,588 1176.34,589 8.242,590 14538.9,595 310.764,596 1.596,597 4.673,598 0.183,599 0.009,600 0.071,601 0.054,602 0.033,603 0.022,604 0.021,605 0.014,606 0.012,607 0.011,608 0.43,609 0.33,610 1,611 1.113,612 130.992,613 0.023,614 -0.248,615 0.081,616 -0.096,617 -0.017,618 -0.018,619 0.344,620 0.059,621 0.152,622 0.057,623 0.25,624 0.077,625 -0.142,626 -0.092,627 -0.087,628 -0.048,629 -0.048,630 -0.062,631 0.071,632 0.009,633 0.26,634 0.107,635 0.15,636 0.194,637 -0.275,638 0.181,639 -0.105,640 0.117,641 -0.23,642 0.044,644 -0.05,645 -0.134,646 -0.107,647 -0.041,648 -0.133,649 0.018,650 -0.065,651 -0.157,652 -0.146,653 -0.001,654 -0.169,655 -0.064,656 -0.214,657 -0.196,658 -0.239,659 -0.117,660 -0.235,661 2.02,662 5.762,663 0.741,664 22.543,665 0.992,666 1.128,667 3.39,668 11.495,669 0.649,670 3.434,671 3.807,672 4.078,673 4.431,674 4.644,675 4.804,676 4.99,677 5.136,678 5.142,679 5.17,680 5.693,681 0.608,682 365.52,683 3.434,684 5.004,685 5.866,686 6.783,687 7.672,688 8.596,689 9.498,690 10.426,691 11.336,692 12.265,693 5.6,701 2,703 1,708 2,709 7,710 1,714 2,715 2,716 15,731 1,735 54,737 16,738 1,739 30,741 57,742 22,743 11,744 2,745 4,746 1,748 4,749 5,754 3,757 6,760 6,762 12,763 10,764 1,767 1,772 1,776 1,783 27,784 3,786 5,789 1,792 3,797 0.75,798 2,811 1,815 2,816 2,819 1,843 3,847 3,851 27,858 5,861 1,863 1,865 1,874 3.7,877 1,879 1,881 13.917,882 10.6,883 5.736,884 3.546,886 3.1,887 1.406,888 0.968,889 4.854,890 10.736,891 3.676,892 4.297,893 4.922,894 5.605,895 6.102,896 6.579,897 7.048,898 7.475,899 7.678,900 7.961,901 1,902 42,903 10.044,905 4.311,906 7.571,907 19.691,909 16.726,911 2.071,912 55.917,916 317.82,917 121.189,918 20.584,920 36.145,923 121.189,924 353.965,925 20.584,926 26.476,927 12.673,928 46.952,929 74.091,930 29.604,931 23.434,932 282.506,934 317.82,935 141.772,936 36.145,939 164.795,940 189.169,943 60.612,944 64.374,945 16.786,947 317.82,948 56.729,949 121.189,952 317.82,953 30.095,954 94.892,956 52.93,957 317.82,958 56.729,959 121.189,961 0.59,962 0.327,963 0.194,964 0.105,965 23,966 10,967 0.07,968 4,969 1,970 1.1,971 3.742,972 245.045,973 0.1,974 20,975 119.627,981 18.305,982 7.159,983 3.681,984 1.902,985 52.93,986 13.724,987 4.432,991 2.097,992 3.911,994 495.737,995 38.5,1000 12.762,1004 -0.353,1007 53.563,1008 60.896,1009 0.249,1010 0.58,1011 0.732,1012 0.798,1013 0.822,1014 0.822,1015 4.947,1016 1.425,1017 5.9,1018 3.752,1019 4.489,1020 4.984,1021 2.221,1022 6.788,1023 4.406,1024 6.177,1025 1.194,1026 7.505,1027 3.206,1028 4.29,1029 4.924,1030 1.784,1031 7.972,1032 4.152,1033 7.514,1034 1,1035 9.22,1036 2.79,1037 6.192,1038 7.237,1039 3.463,1040 11.036,1041 6.012,1042 8.89,1043 0.912,1044 10.999,1045 2.385,1046 6.804,1047 8.052,1048 3.553,1049 12.99,1050 6.559,1051 10.302,1052 0.778,1053 12.817,1054 2.136,1055 8.228,1056 9.864,1057 4.87,1058 15.628,1059 7.948,1060 11.739,1061 0.519,1062 14.66,1063 1.946,1064 9.167,1065 11.076,1066 5.235,1067 17.866,1068 8.826,1069 13.196,1070 -0.43,1071 16.52,1072 1.364,1073 10.424,1074 12.703,1075 6.339,1076 20.371,1077 10.047,1078 3.337,1079 -0.592,1080 18.391,1081 -1.204,1082 11.499,1083 14.094,1084 6.865,1085 22.725,1086 11.069,1087 3.131,1088 11.926,1089 20.271,1090 -1.392,1091 12.698,1092 15.654,1093 7.84,1094 25.188,1095 12.23,1096 2.951,1097 10.469,1098 22.158,1099 4.683,1100 13.83,1101 17.125,1102 8.462,1103 27.593,1104 13.315,1105 2.421,1106 10.023,1107 24.051,1108 3.916,1109 15.01,1110 18.664,1111 9.359,1112 30.046,1113 14.458,1114 2.194,1115 8.059,1116 25.948,1117 3.286,1118 16.168,1119 20.171,1120 10.041,1121 32.478,1122 15.573,1123 1.793,1124 6.655,1125 27.849,1126 2.949,1127 17.344,1128 21.705,1129 10.891,1130 34.93,1131 16.712,1132 1.441,1133 4.876,1134 29.753,1135 2.722,1136 18.514,1137 23.229,1138 11.609,1139 37.376,1140 17.843,1141 7691,1142 11238,1143 19.879,1144 35.063,1145 46.994,1146 47.404,1147 46.652,1148 46.199,1149 46.191,1150 58.715,1151 4.868,1152 139.172,1153 44.419,1154 5.739,1155 5.85,1156 6.791,1157 5.374,1158 5.337,1159 7.683,1160 3.872,1161 19.646,1162 5.218,1163 13.236,1164 1.566,1165 1.58,1166 1.555,1167 1.54,1168 1.54,1169 1.957,1170 0.162,1171 4.639,1172 1.481,1173 4.177,1174 4.211,1175 4.148,1176 4.078,1177 7.434,1178 4.09,1179 3.94,1180 3.994,1181 3.868,1182 3.798,1183 4.999,1184 3.802,1185 3.728,1186 3.777,1187 3.61,1188 3.56,1189 4.811,1190 3.563,1191 3.691,1192 3.749,1193 3.571,1194 3.547,1195 4.548,1196 3.548,1197 3.43,1198 3.477,1199 3.339,1200 3.257,1201 4.229,1202 3.273,1203 3.111,1204 3.206,1205 3.002,1206 2.941,1207 4.202,1208 2.921,1209 3.085,1210 3.146,1211 2.866,1212 2.912,1213 3.767,1214 2.91,1215 3.025,1216 3.065,1217 2.848,1218 2.844,1219 3.657,1220 2.84,1221 0.158,1222 0.128,1223 0.233,1224 0.143,1225 0.111,1226 4.739,1227 0.156,1228 3.85,1229 0.072,1230 6.989,1231 0.398,1232 4.299,1233 0.107,1234 3.337,1235 4.683,1236 2.172,1237 11.926,1238 3.218,1239 1.949,1240 1.925,1241 2.103,1242 2.059,1243 1.491,1244 2.074,1245 1.883,1246 1.83,1247 2.024,1248 2.02,1249 1.168,1250 2.019,1251 1.706,1252 1.662,1253 1.946,1254 1.902,1255 1.118,1256 1.913,1257 1.605,1258 1.559,1259 1.712,1260 1.769,1261 0.926,1262 1.761,1263 1.339,1264 1.27,1265 1.534,1266 1.595,1267 0.825,1268 1.579,1269 1.252,1270 1.197,1271 1.513,1272 1.483,1273 0.754,1274 1.461,1275 1.153,1276 1.064,1277 1.417,1278 1.376,1279 0.469,1280 1.429,1281 1.015,1282 0.958,1283 1.417,1284 1.239,1285 0.469,1286 1.308,1287 4.111,1289 5.468,1290 3.045,1291 7.008,1292 5.416,1293 8.631,1294 7.554,1295 10.303,1297 5.654,1303 6.227,1306 5.611,1308 0.486,1310 -0.535,1314 32.815,1315 77.52,1316 180.309,1317 227.506,1318 247.97,1319 255.48,1320 255.48,1321 43.609,1322 7.636,1323 49.05,1324 49.05,1325 22,1326 12.771,1327 4.087,1328 3.248,1329 39.879,1330 90,1331 93,1332 0.218,1333 200.112,1334 339.12,1335 480.033,1336 20661,1338 19.018,1339 0.704,1340 0.604,1341 19.018,1342 16.312,1343 12.938,1344 0.431,1345 0.327,1346 9.688,1347 12.492,1348 9.349,1349 7.817,1350 12.938,1351 9.795,1352 12.574,1353 0.286,1354 0.191,1355 12.574,1356 8.388,1357 9.614,1358 0.166,1359 0.09,1360 9.614,1361 5.212,1362 8.876,1363 0.107,1364 0.048,1365 8.876,1366 4.009,1367 6.838,1368 0.066,1369 0.027,1370 6.838,1371 2.815,1372 0.331,1373 80.545,1374 0.224,1375 25.313,1376 0.638,1377 148,1378 372.406,1379 162.356,1380 360.454,1381 504.96,1382 338,1383 176,1384 390.416,1385 190.002,1386 395.047,1387 582.21,1388 370,1389 5.1}
{0 CHEMBL1975418,1 1.411,2 9.167,3 4.09,4 16.728,5 96.138,6 7.693,7 0.75,8 3.85,9 3.977,10 3.477,11 3.454,12 4.931,13 3.432,14 4.339,15 4.505,16 3.774,17 3.822,18 5.328,19 3.775,20 4.515,21 4.728,22 3.769,23 3.875,24 5.439,25 3.802,26 4.576,27 4.807,28 3.769,29 3.85,30 5.514,31 3.786,32 4.529,33 4.765,34 3.675,35 3.811,36 5.452,37 3.736,38 4.481,39 4.706,40 3.665,41 3.818,42 5.4,43 3.73,44 4.492,45 4.732,46 3.531,47 3.785,48 5.35,49 3.66,50 4.395,51 4.654,52 3.225,53 3.621,54 5.183,55 3.459,56 0.098,57 0.666,58 7.852,59 3.512,60 9.34,61 4.615,62 0.089,63 1.04,64 14.006,65 5.759,66 11.173,67 7.797,68 0.103,69 1.18,70 18.498,71 7.146,72 18.518,73 10.003,74 0.198,75 1.278,76 20.398,77 6.589,78 23.489,79 9.306,80 0.211,81 1.202,82 19.697,83 6.421,84 24.4,85 9.045,86 0.178,87 1.131,88 18.335,89 6.972,90 21.809,91 9.758,92 0.217,93 1.109,94 19.059,95 7.585,96 21.676,97 10.666,98 0.108,99 0.953,100 17.942,101 7.167,102 17.304,103 10.225,105 40,106 0.244,107 0.612,108 0.745,109 0.829,110 0.84,111 0.84,112 3.23,113 0.888,114 -4.61,115 -4.53,116 -4.26,119 46.3,121 2,122 1,125 1,142 8,143 3,145 1,146 1,152 2,166 2,168 1,172 13,174 1,175 4,180 2,183 10,188 13,193 2,196 6,200 17,205 1,208 5,213 9,221 11,224 1,225 3,228 1,233 14,237 2,238 2,241 2,243 1,246 13,250 2,255 2,258 11,264 1,269 1,272 6,276 810,277 16.947,278 16.947,279 16.947,280 16.947,281 16.947,282 14.524,283 11.401,284 10.011,285 17.102,286 13.88,287 13.88,288 13.88,289 13.88,290 13.88,291 10.275,292 14.466,293 4.788,294 14.14,295 3.947,296 1.809,297 1.043,298 0.555,299 0.488,300 0.488,301 3.937,304 1,305 1,306 1,307 505,308 2.236,309 35.045,311 116.141,312 134.709,315 93.487,319 1.597,320 10.773,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 50.5,332 220,333 4.595,334 3.427,335 6.923,336 4.246,337 3.271,338 4.42,339 0.522,340 11.675,341 3.187,342 4.377,343 2.943,344 6.213,345 3.902,346 2.919,347 4.151,349 9.306,350 2.868,351 3.91,352 2.772,353 5.828,354 3.542,355 2.551,356 3.45,358 7.971,359 2.53,360 3.698,361 2.515,362 5.506,363 3.462,364 2.474,365 3.068,367 7.354,368 2.442,369 3.413,370 2.165,371 5.129,372 3.094,373 2.117,374 2.535,376 6.131,377 2.064,378 3.034,379 1.583,380 4.494,381 2.518,382 1.534,383 2.301,385 4.313,386 1.508,387 2.937,388 1.534,389 4.328,390 2.495,391 1.507,392 2.116,394 3.922,395 1.488,396 2.751,397 1.331,398 3.859,399 2.266,400 1.292,401 1.863,403 2.993,404 1.255,405 2.512,406 1.079,407 3.584,408 2,409 1.026,410 1.518,412 2.613,413 1,414 2.5,415 1.034,416 3.435,417 1.997,418 1,419 1.5,421 2.361,422 0.994,423 2.388,424 1,425 3.247,426 1.976,427 1,428 1.349,430 2.136,431 0.974,432 1.905,433 0.458,434 3.059,435 1.4,436 0.43,437 0.626,439 1.057,440 0.416,441 1.289,442 0.217,443 2.917,444 1.023,445 0.044,446 0.054,448 0.119,449 0.043,450 0.877,451 -0.189,452 2.584,453 0.606,454 -0.388,455 -0.455,457 -0.953,458 -0.386,459 0.694,460 -0.686,461 2.466,462 0.296,463 -0.698,464 -0.92,466 -1.853,467 -0.693,468 11.5,469 0.479,470 0.462,471 0.019,472 33.25,473 1.385,474 18,475 0.75,476 15.25,477 0.635,478 16.988,479 0.708,480 23.9,481 0.583,482 21.134,483 0.881,484 6.396,485 0.266,486 5.486,487 0.229,490 0.339,496 0.553,497 0.905,498 0.719,499 0.883,500 0.58,501 0.833,502 0.907,503 1.195,504 0.91,505 1.072,506 0.815,507 1.006,508 0.92,509 1.192,510 0.902,511 1.06,512 0.87,513 0.994,514 1.517,515 1.153,516 1.066,517 0.956,518 1.25,519 0.956,520 1.533,521 0.989,522 1.105,523 0.888,524 1.357,525 0.934,526 0.898,527 0.961,528 0.973,529 0.993,530 0.947,531 0.993,532 0.607,533 0.851,534 1.034,535 1.081,536 0.86,537 1.104,538 0.697,539 1.031,540 1.092,541 1.198,542 0.92,543 1.194,544 3.5,545 0.04,546 2.056,547 1.125,548 1.009,549 0.566,550 0.465,551 0.221,552 0.066,553 0.078,554 6977,555 15923,556 2.289,557 41.5,558 4,559 10,561 1,562 1,563 1,567 1.672,568 2.25,569 3.192,570 -0.342,572 1,577 57.853,578 1.411,579 3.548,580 4.315,581 4.803,582 4.87,583 4.87,584 2.705,585 4.252,586 4.556,587 3.341,588 922.114,589 7.877,590 10563.3,592 1,594 1,595 219.66,596 0.918,597 4.557,598 0.125,599 0.004,600 0.056,601 0.031,602 0.029,603 0.018,604 0.015,605 0.008,606 0.003,607 0.006,608 0.295,609 0.33,610 0.88,612 112.699,613 0.359,614 0.208,615 0.087,616 0.059,617 0.236,618 0.044,619 0.009,620 -0.142,621 -0.044,622 -0.119,623 0.008,624 -0.094,625 -0.008,626 -0.206,627 0.038,628 -0.084,629 0.002,630 -0.03,631 -0.235,632 -0.104,633 -0.084,634 -0.042,635 -0.127,636 -0.044,637 -0.296,638 0.05,639 -0.121,640 0.038,641 -0.176,642 -0.009,643 0.049,644 0.025,645 -0.018,646 -0.018,647 0.044,648 -0.024,649 0.224,650 0.089,651 -0.063,652 -0.078,653 0.04,654 -0.1,655 -0.002,656 -0.155,657 -0.097,658 -0.163,659 -0.089,660 -0.146,661 0.751,662 1.517,663 0.958,664 19.333,665 0.995,666 1.122,667 3.38,668 11.425,669 0.697,670 3.367,671 3.714,672 4.007,673 4.331,674 4.522,675 4.625,676 4.796,677 4.956,678 5.017,679 5.063,680 5.562,681 0.665,682 315.41,683 3.367,684 4.92,685 5.802,686 6.701,687 7.598,688 8.505,689 9.41,690 10.321,691 11.231,692 12.146,693 12.2,701 2,703 3,708 2,709 9,710 3,711 1,714 4,715 1,716 21,735 41,737 21,738 2,739 28,741 45,742 19,743 15,744 4,745 8,748 5,749 6,757 2,758 1,760 2,762 15,763 4,764 1,780 1,783 17,784 3,785 1,786 5,792 5,797 0.8,807 1,813 1,815 2,816 2,819 1,843 4,851 24,858 3,863 1,871 1,881 10.667,882 7.383,883 5.139,884 2.577,886 3.769,887 1.507,888 1.071,889 3.152,890 11.201,891 3.676,892 4.331,893 4.97,894 5.614,895 6.086,896 6.451,897 6.951,898 7.441,899 7.741,900 8.112,901 1,902 36,903 8.84,905 3.861,906 7.472,907 17.399,909 15.095,911 1.972,912 47.333,915 1,916 188.338,917 108.634,918 68.306,923 108.634,924 188.338,925 68.306,927 7.175,928 75.81,929 61.638,930 39.188,931 4.901,932 176.567,934 188.338,935 176.94,939 188.338,943 37.419,944 89.655,945 49.867,947 188.338,948 68.306,949 108.634,952 188.338,953 23.777,954 86.634,955 16.663,956 49.867,957 188.338,958 68.306,959 108.634,961 0.583,962 0.332,963 0.191,964 0.098,965 23,966 8,967 0.089,968 4,969 1,970 1.087,971 3.796,972 209.985,973 0.087,974 23,975 104.039,981 13.795,982 5.483,983 2.618,984 2.148,985 49.867,986 18.594,987 13.078,988 2.995,991 4.643,992 2.071,993 16.663,994 365.278,995 38.5,1007 40.811,1008 45.983,1009 0.263,1010 0.662,1011 0.805,1012 0.896,1013 0.909,1014 0.909,1015 4.907,1016 1.292,1017 5.778,1018 3.922,1019 4.394,1020 5.017,1021 0.434,1022 6.619,1023 4.357,1024 6.131,1025 1.026,1026 7.347,1027 2.993,1028 4.007,1029 4.796,1031 7.612,1032 3.952,1033 7.448,1034 1,1035 9.02,1036 2.613,1037 6.023,1038 7.277,1039 0.138,1040 10.724,1041 5.947,1042 8.804,1043 1,1044 10.757,1045 2.361,1046 6.479,1047 7.938,1049 12.572,1050 6.376,1051 10.194,1052 0.43,1053 12.536,1054 2.136,1055 7.958,1056 9.841,1057 0.039,1058 15.219,1059 7.838,1060 11.609,1061 0.044,1062 14.344,1063 1.057,1064 8.792,1065 10.919,1067 17.413,1068 8.641,1069 13.043,1070 -0.388,1071 16.173,1072 0.119,1073 10.065,1074 12.575,1075 0.011,1076 19.917,1077 9.895,1078 3.271,1079 -0.698,1080 18.019,1081 -0.953,1082 11.074,1083 13.856,1085 22.258,1086 10.873,1087 2.919,1088 11.675,1089 19.878,1090 -1.853,1091 12.269,1092 15.404,1093 0.003,1094 24.718,1095 12.046,1096 2.551,1097 9.306,1098 21.747,1099 4.42,1100 13.361,1101 16.781,1103 27.122,1104 13.107,1105 2.474,1106 7.971,1107 23.625,1108 4.151,1109 14.53,1110 18.282,1111 0.001,1112 29.572,1113 14.252,1114 2.117,1115 7.354,1116 25.51,1117 3.45,1118 15.661,1119 19.707,1121 32.004,1122 15.353,1123 1.534,1124 6.131,1125 27.402,1126 3.068,1127 16.825,1128 21.189,1130 34.454,1131 16.491,1132 1.507,1133 4.313,1134 29.3,1135 2.535,1136 17.976,1137 22.636,1139 36.897,1140 17.613,1141 6288,1142 9630,1143 19.879,1144 28.597,1145 43.043,1146 42.482,1147 42.758,1148 42.304,1149 42.332,1150 57.904,1151 1.043,1152 123.904,1153 41.539,1154 5.489,1155 5.427,1156 6.725,1157 5.276,1158 5.271,1159 7.42,1160 1.043,1161 18.952,1162 5.187,1164 1.537,1165 1.517,1166 1.527,1167 1.511,1168 1.512,1169 2.068,1170 0.037,1171 4.425,1172 1.484,1173 4.142,1174 4.185,1175 4.105,1176 4.035,1177 5.135,1178 4.045,1179 3.994,1180 4.046,1181 3.941,1182 3.878,1183 5.025,1184 3.882,1185 3.869,1186 3.905,1187 3.788,1188 3.797,1189 4.736,1190 3.79,1191 3.615,1192 3.688,1193 3.521,1194 3.412,1195 4.331,1196 3.436,1197 3.311,1198 3.382,1199 3.23,1200 3.123,1201 4.209,1202 3.138,1203 3.03,1204 3.097,1205 2.904,1206 2.904,1207 3.807,1208 2.896,1209 2.906,1210 2.977,1211 2.787,1212 2.735,1213 3.75,1214 2.744,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.674,1220 2.715,1221 0.164,1222 0.122,1223 0.247,1224 0.152,1225 0.117,1226 4.595,1227 0.158,1228 3.427,1229 0.019,1230 6.923,1231 0.417,1232 4.246,1233 0.114,1234 3.271,1235 4.42,1236 0.522,1237 11.675,1238 3.187,1239 1.955,1240 1.934,1241 2.047,1242 2.032,1243 1.212,1244 2.037,1245 1.912,1246 1.882,1247 2.022,1248 2.004,1249 1.152,1250 2.012,1251 1.532,1252 1.488,1253 1.659,1254 1.723,1255 0.948,1256 1.703,1257 1.312,1258 1.23,1259 1.513,1260 1.643,1261 0.825,1262 1.593,1263 1.238,1264 1.174,1265 1.466,1266 1.461,1267 0.658,1268 1.439,1269 1.153,1270 1.064,1271 1.427,1272 1.376,1273 0.41,1274 1.429,1275 1.013,1276 0.953,1277 1.215,1278 1.196,1279 0.374,1280 1.217,1281 0.886,1282 0.821,1283 1.181,1284 1.072,1285 0.218,1286 1.107,1287 4.043,1288 1.946,1289 5.38,1290 4.111,1291 6.913,1292 6.107,1293 8.533,1294 8.034,1295 10.202,1303 3.222,1308 0.582,1314 27.268,1315 57.853,1316 145.479,1317 176.905,1318 196.905,1319 199.66,1320 199.66,1321 25.378,1322 7.432,1323 59.39,1324 59.39,1325 25,1326 12.659,1327 4.459,1328 3.524,1329 30.229,1330 78,1331 81,1332 0.187,1333 163.683,1334 263.1,1335 391.146,1336 15886,1338 15.933,1339 0.664,1340 0.549,1341 15.933,1342 13.184,1343 11.882,1344 0.424,1345 0.296,1346 8.208,1347 11.526,1348 8.057,1349 6.65,1350 11.882,1351 8.291,1352 10.68,1353 0.267,1354 0.16,1355 10.68,1356 6.413,1357 9.084,1358 0.168,1359 0.08,1360 9.084,1361 4.338,1362 8.064,1363 0.108,1364 0.042,1365 8.064,1366 3.167,1367 6.305,1368 0.069,1369 0.023,1370 6.305,1371 2.118,1372 0.287,1373 73.73,1374 0.224,1375 23.202,1376 0.534,1377 136,1378 330.913,1379 145.02,1380 332.329,1381 477.34,1382 314,1383 165,1384 379.911,1385 176.296,1386 385.369,1387 562.96,1388 364,1389 5.3}
{0 CHEMBL1975490,1 1.56,2 13,3 3.144,4 9.887,5 117.129,6 7.821,7 0.629,8 4.096,9 4.205,10 3.707,11 3.649,12 5.231,13 3.649,14 4.608,15 4.75,16 4.075,17 4.044,18 5.743,19 4.022,20 4.83,21 5.023,22 4.072,23 4.123,24 5.878,25 4.076,26 4.809,27 5,28 4.01,29 4.079,30 5.879,31 4.025,32 4.779,33 4.979,34 3.985,35 4.04,36 5.846,37 3.984,38 4.751,39 4.943,40 3.907,41 4.042,42 5.791,43 3.972,44 4.741,45 4.949,46 3.801,47 3.997,48 5.775,49 3.903,50 4.713,51 4.95,52 3.706,53 3.894,54 5.694,55 3.786,56 0.065,57 0.777,58 9.974,59 4.589,60 9.996,61 5.572,62 0.309,63 1.236,64 18.566,65 7.929,66 26.902,67 9.914,68 0.331,69 1.451,70 26.339,71 10.102,72 38.756,73 12.894,74 0.372,75 1.418,76 25.704,77 9.758,78 45.388,79 12.45,80 0.44,81 1.361,82 25.503,83 9.639,84 42.803,85 12.564,86 0.32,87 1.338,88 24.149,89 9.449,90 36.393,91 12.042,92 0.293,93 1.33,94 24.256,95 9.427,96 43.19,97 12.387,98 0.329,99 1.279,100 24.876,101 9.313,102 41.613,103 12.789,104 9,105 49,106 0.255,107 0.619,108 0.779,109 0.87,110 0.882,111 0.882,112 3.472,113 0.876,114 -4.02,115 -3.97,116 -3.76,119 45.3,121 1,125 3,142 10,143 4,144 2,146 1,152 1,158 1,162 1,163 1,164 1,165 1,172 12,174 1,175 6,178 3,180 5,183 14,185 1,188 8,193 4,196 12,200 9,202 1,203 1,205 5,208 9,212 1,213 8,216 1,218 5,221 6,225 6,230 6,233 8,235 2,238 5,243 4,246 10,248 2,250 4,253 1,254 1,255 3,258 8,260 2,264 2,266 1,267 2,268 1,269 2,271 1,272 4,274 2,276 1693,277 21.541,278 21.541,279 21.541,280 21.541,281 21.541,282 18.927,283 24.205,284 12.917,285 21.844,286 17.313,287 17.313,288 17.313,289 17.313,290 17.313,291 13.192,292 35.393,293 6.172,294 17.794,295 4.168,296 1.947,297 0.966,298 0.415,299 0.34,300 0.34,301 4.185,305 1,306 1,307 896,308 3.162,311 140.219,312 265.412,315 264.631,319 2,320 27.81,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 67,332 403,333 4.577,334 3.659,335 6.813,336 4.226,337 3.23,338 4.403,339 1.081,340 11.269,341 3.216,342 4.462,343 3.091,344 6.248,345 3.965,346 2.994,347 4.279,348 0.86,349 9.498,350 2.908,351 4.071,352 3.036,353 6.051,354 3.696,355 2.7,356 3.64,357 0.473,358 8.616,359 2.688,360 3.772,361 2.761,362 5.492,363 3.415,364 2.442,365 3.131,366 0.4,367 7.357,368 2.371,369 3.63,370 2.637,371 5.304,372 3.263,373 2.33,374 2.967,376 6.84,377 2.165,378 3.389,379 2.294,380 5.041,381 2.946,382 1.973,383 2.739,385 5.774,386 1.915,387 3.105,388 1.961,389 4.838,390 2.691,391 1.69,392 2.298,394 5.133,395 1.684,396 3.032,397 1.818,398 4.414,399 2.574,400 1.607,401 2.291,403 4.312,404 1.547,405 2.833,406 1.532,407 4.19,408 2.513,409 1.532,410 1.982,412 3.485,413 1.501,414 2.665,415 1.486,416 3.799,417 2.35,418 1.359,419 1.68,421 3.148,422 1.345,423 2.631,424 1.391,425 3.603,426 2.216,427 1.243,428 1.634,430 2.947,431 1.205,432 2.5,433 1.277,434 3.548,435 2,436 1,437 1.5,439 2.353,440 1,441 2.107,442 1.094,443 3.414,444 1.903,445 0.939,446 1.061,448 2.275,449 0.899,450 1.847,451 1,452 3,453 1.587,454 0.671,455 0.712,457 1.196,458 0.61,459 1.754,460 0.548,461 2.954,462 1.322,463 0.347,464 0.521,466 0.86,467 0.338,468 14.6,469 0.471,470 0.636,471 0.021,472 43,473 1.387,474 22.5,475 0.726,476 20.5,477 0.661,478 23.156,479 0.747,480 32.2,481 0.608,482 32.569,483 1.051,484 8.598,485 0.277,486 6.61,487 0.213,488 0.05,490 0.342,496 0.888,497 1.124,498 0.752,499 0.955,500 0.76,501 0.839,502 0.827,503 1.015,504 0.847,505 0.998,506 0.65,507 0.941,508 1.155,509 1.006,510 0.932,511 0.955,512 0.958,513 0.916,514 1.165,515 1.05,516 1.033,517 1.036,518 1.115,519 1.018,520 0.973,521 0.972,522 0.92,523 0.963,524 0.687,525 0.939,526 1.149,527 1.041,528 1.09,529 1.05,530 0.956,531 1.063,532 0.992,533 1.104,534 1.129,535 1.134,536 1.367,537 1.153,538 0.761,539 1.072,540 0.992,541 1.091,542 1.173,543 1.088,544 5.5,545 0.142,546 2.889,547 2.111,548 1.444,549 1.084,550 0.665,551 0.364,552 0.279,553 0.211,554 14513,555 38070,556 2.18,557 41.5,559 16,562 4,565 2,567 1.735,568 2.09,569 3.622,570 1.568,572 1,577 82.678,578 1.56,579 3.781,580 4.762,581 5.313,582 5.388,583 5.388,584 3.143,585 4.438,586 4.921,587 3.826,588 1778.92,589 8.59,590 25777.9,592 1,594 1,595 303.58,596 1.215,597 4.907,598 0.157,599 0.005,600 0.059,601 0.044,602 0.033,603 0.025,604 0.017,605 0.01,606 0.009,607 0.008,608 0.367,609 0.17,610 0.88,611 1.054,612 162.541,613 -0.091,614 0.007,615 0.038,616 0.031,617 -0.111,618 0.06,619 0.12,620 0.053,621 0.02,622 -0.012,623 0.061,624 -0.017,625 -0.118,626 -0.023,627 0.028,628 0.035,629 -0.059,630 0.055,631 -0.097,632 -0.061,633 -0.071,634 -0.054,635 -0.097,636 -0.057,637 0.063,639 0.056,640 0.027,641 0.107,642 0.04,643 -0.162,644 -0.061,645 -0.141,646 -0.055,647 -0.06,648 -0.088,649 -0.124,650 -0.127,651 -0.175,652 -0.14,653 -0.155,654 -0.162,655 0.049,656 -0.12,657 0.002,658 -0.099,659 -0.064,660 -0.069,661 1.741,662 5.248,663 0.774,664 35.124,665 1.006,666 1.12,667 2.79,668 7.783,669 0.684,670 3.584,671 3.912,672 4.22,673 4.533,674 4.771,675 4.883,676 5.069,677 5.215,678 5.242,679 5.375,680 7.539,681 0.66,682 414.5,683 3.584,684 5.13,685 5.994,686 6.882,687 7.767,688 8.664,689 9.557,690 10.458,691 11.355,692 12.258,693 7.5,694 1,700 1,701 1,703 1,708 2,709 10,710 1,712 1,714 7,716 22,723 1,728 1,733 1,735 53,737 23,738 3,739 35,741 57,742 24,743 19,744 8,745 10,746 1,748 5,749 7,754 1,760 1,762 20,763 4,767 1,772 1,776 1,780 1,783 22,784 7,785 4,786 7,792 4,797 0.6,798 3,802 1,815 2,816 3,819 2,836 1,843 3,851 31,852 1,858 4,860 2,861 1,874 5.7,877 1,879 2,881 14.833,882 9.367,883 6.806,884 3.156,886 4.41,887 1.529,888 1.042,889 5.429,890 12.753,891 3.871,892 4.503,893 5.138,894 5.776,895 6.335,896 6.653,897 7.118,898 7.537,899 7.769,900 8.201,901 0.889,902 48,903 11.442,905 4.941,906 7.715,907 21.872,909 18.203,911 2.215,912 68.667,915 1,916 211.88,917 143.119,918 85.704,920 45.652,923 143.119,924 257.532,925 85.704,927 62.246,928 94.762,929 46.635,930 65.996,931 4.836,932 211.88,934 211.88,935 228.824,936 45.652,939 188.338,940 69.194,943 86.992,944 125.046,945 16.786,947 211.88,948 131.356,949 143.119,952 211.88,953 48.357,954 94.762,955 36.022,956 95.335,957 211.88,958 131.356,959 143.119,961 0.575,962 0.337,963 0.19,964 0.106,965 25,966 10,967 0.123,968 7,969 2,970 1.167,971 4.368,972 285.748,973 0.167,974 24,975 149.58,981 19.762,982 8.515,983 4.056,984 1.543,985 131.356,986 19.361,987 4.442,989 5.728,991 5.598,993 68.919,994 486.356,995 47,1000 12.248,1004 -0.074,1007 53.342,1008 59.358,1009 0.272,1010 0.66,1011 0.831,1012 0.928,1013 0.941,1014 0.941,1015 5.103,1016 1.607,1017 5.969,1018 5.133,1019 4.595,1020 5.19,1021 1.72,1022 6.788,1023 4.547,1024 6.312,1025 1.532,1026 7.523,1027 4.312,1028 4.111,1029 4.997,1031 7.67,1032 4.059,1033 7.624,1034 1.359,1035 9.179,1036 3.485,1037 6.188,1038 7.437,1039 1.605,1040 10.805,1041 6.104,1042 8.976,1043 1.243,1044 10.894,1045 3.148,1046 6.567,1047 8.101,1049 12.557,1050 6.485,1051 10.362,1052 1,1053 12.651,1054 2.947,1055 8.077,1056 9.99,1057 1.616,1058 15.193,1059 7.971,1060 11.772,1061 0.939,1062 14.435,1063 2.353,1064 8.862,1065 11.062,1067 17.31,1068 8.76,1069 13.201,1070 0.671,1071 16.241,1072 2.275,1073 10.143,1074 12.717,1075 1.674,1076 19.782,1077 10.025,1078 3.23,1079 0.347,1080 18.063,1081 1.196,1082 11.121,1083 13.991,1085 22.06,1086 11.004,1087 2.994,1088 11.269,1089 19.898,1090 0.86,1091 12.311,1092 15.541,1093 1.758,1094 24.48,1095 12.184,1096 2.7,1097 9.498,1098 21.744,1099 4.403,1100 13.379,1101 16.914,1103 26.828,1104 13.251,1105 2.442,1106 8.616,1107 23.599,1108 4.279,1109 14.537,1110 18.418,1111 1.859,1112 29.235,1113 14.402,1114 2.33,1115 7.357,1116 25.461,1117 3.64,1118 15.647,1119 19.84,1121 31.616,1122 15.51,1123 1.973,1124 6.84,1125 27.329,1126 3.131,1127 16.796,1128 21.323,1129 1.973,1130 34.023,1131 16.654,1132 1.69,1133 5.774,1134 29.203,1135 2.967,1136 17.927,1137 22.769,1139 36.421,1140 17.783,1141 13417,1142 21886,1143 24.156,1144 36.239,1145 52.507,1146 53.647,1147 53.588,1148 52.207,1149 52.24,1150 69.837,1151 5.627,1152 150.471,1153 50.904,1154 5.443,1155 5.659,1156 6.722,1157 5.277,1158 5.23,1159 7.403,1160 2.162,1161 18.644,1162 5.216,1163 10.861,1164 1.5,1165 1.533,1166 1.531,1167 1.492,1168 1.493,1169 1.995,1170 0.161,1171 4.299,1172 1.454,1173 4.102,1174 4.122,1175 4.069,1176 4.014,1177 7.429,1178 4.02,1179 4.033,1180 4.049,1181 4.001,1182 3.924,1183 5.226,1184 3.941,1185 3.819,1186 3.85,1187 3.761,1188 3.738,1189 5.011,1190 3.74,1191 3.643,1192 3.714,1193 3.494,1194 3.452,1195 4.851,1196 3.448,1197 3.406,1198 3.455,1199 3.328,1200 3.201,1201 4.677,1202 3.228,1203 3.352,1204 3.397,1205 3.266,1206 3.148,1207 4.417,1208 3.174,1209 3.084,1210 3.158,1211 2.987,1212 2.923,1213 4.323,1214 2.931,1215 2.975,1216 3.045,1217 2.777,1218 2.759,1219 3.969,1220 2.754,1221 0.131,1222 0.105,1223 0.195,1224 0.121,1225 0.092,1226 4.577,1227 0.126,1228 3.659,1229 0.031,1230 6.813,1231 0.322,1232 4.226,1233 0.092,1234 3.23,1235 4.403,1236 1.081,1237 11.269,1238 3.216,1239 1.991,1240 1.976,1241 2.068,1242 2.058,1243 1.249,1244 2.062,1245 1.893,1246 1.871,1247 1.993,1248 1.988,1249 1.156,1250 1.989,1251 1.772,1252 1.749,1253 1.905,1254 1.901,1255 1.067,1256 1.901,1257 1.606,1258 1.537,1259 1.839,1260 1.81,1261 0.993,1262 1.823,1263 1.363,1264 1.308,1265 1.567,1266 1.657,1267 0.708,1268 1.628,1269 1.269,1270 1.23,1271 1.381,1272 1.568,1273 0.465,1274 1.51,1275 1.075,1276 1.034,1277 1.365,1278 1.4,1279 0.366,1280 1.396,1281 0.955,1282 0.891,1283 1.181,1284 1.164,1285 0.241,1286 1.167,1287 4.263,1289 5.587,1290 3.045,1291 7.104,1292 5.416,1293 8.713,1294 7.516,1295 10.375,1301 5.556,1303 2.348,1305 6.095,1306 5.821,1314 34.971,1315 82.678,1316 200.386,1317 252.361,1318 281.58,1319 285.58,1320 285.58,1321 45.026,1322 8.342,1323 102.41,1324 102.41,1325 28,1326 12.779,1327 4.585,1328 3.7,1329 43.775,1330 139,1331 151,1332 0.151,1333 210.984,1334 359.69,1335 506.561,1336 55007,1338 21.209,1339 0.684,1340 0.544,1341 21.209,1342 16.851,1343 15.208,1344 0.435,1345 0.292,1346 10.08,1347 14.652,1348 9.922,1349 8.185,1350 15.208,1351 10.221,1352 13.538,1353 0.276,1354 0.15,1355 13.538,1356 7.359,1357 11.715,1358 0.175,1359 0.078,1360 11.715,1361 5.252,1362 10.119,1363 0.11,1364 0.04,1365 10.119,1366 3.699,1367 8.361,1368 0.071,1369 0.021,1370 8.361,1371 2.49,1372 0.241,1373 95.173,1374 0.203,1375 29.417,1376 0.405,1377 168,1378 484.83,1379 184.764,1380 466.588,1381 652.07,1382 440,1383 200,1384 494.547,1385 216.184,1386 497.044,1387 735.41,1388 471,1389 5.1}
{0 CHEMBL1975500,1 1.621,2 14.294,3 1.97,4 3.881,5 125.906,6 7.94,7 0.486,8 4.171,9 4.28,10 3.771,11 3.691,12 5.383,13 3.697,14 4.663,15 4.81,16 4.135,17 4.069,18 5.888,19 4.058,20 4.941,21 5.106,22 4.287,23 4.254,24 6.185,25 4.234,26 5.018,27 5.201,28 4.212,29 4.255,30 6.237,31 4.211,32 5.023,33 5.233,34 4.115,35 4.221,36 6.185,37 4.148,38 4.896,39 5.11,40 4.041,41 4.11,42 6.025,43 4.048,44 4.837,45 5.031,46 4.064,47 4.041,48 6.198,49 4.001,50 4.79,51 4.993,52 3.945,53 3.978,54 5.99,55 3.929,56 0.138,57 0.842,58 10.645,59 4.97,60 15.627,61 5.923,62 0.392,63 1.306,64 19.693,65 8.215,66 36.316,67 10.325,68 0.622,69 1.669,70 27.727,71 10.543,72 73.489,73 13.081,74 0.639,75 1.725,76 31.361,77 11.536,78 83.209,79 14.541,80 0.769,81 1.672,82 33.745,83 12.294,84 102.993,85 16.086,86 0.539,87 1.502,88 29.265,89 10.794,90 65.679,91 14.338,92 0.698,93 1.407,94 27.048,95 9.675,96 109.472,97 12.689,98 0.54,99 1.338,100 26.157,101 9.311,102 70.331,103 12.044,104 46,105 52,106 0.262,107 0.596,108 0.757,109 0.87,110 0.909,111 0.909,112 3.56,113 0.861,114 -2.65,115 -2.67,116 -2.6,119 43.1,120 1,124 1,125 2,142 9,143 4,144 5,158 3,172 11,175 4,178 3,180 8,183 12,188 5,191 1,192 2,193 11,196 10,200 6,203 1,205 8,208 8,213 5,216 3,217 1,218 6,221 10,225 3,228 1,229 1,230 6,233 9,237 2,238 6,241 2,243 5,246 8,250 5,254 2,255 4,258 8,263 1,264 4,267 1,268 1,269 2,272 5,276 2060,277 22.748,278 22.748,279 22.748,280 22.748,281 22.748,282 20.196,283 29.191,284 13.269,285 23.105,286 18.18,287 18.18,288 18.18,289 18.18,290 18.18,291 14.077,292 39.986,293 6.231,294 18.636,295 4.237,296 2.169,297 1.173,298 0.474,299 0.233,300 0.233,301 4.255,305 1,306 1,307 1032,308 4,312 266.612,313 82.89,317 279.653,319 2.623,320 44.557,323 1,324 0.67,325 1,326 0.6,328 1,329 1,330 0.75,331 75,332 486,333 4.487,334 3.629,335 6.546,336 4.128,337 3.143,338 4.157,339 1.907,340 10.356,341 3.094,342 4.326,343 3.555,344 6.246,345 3.938,346 2.955,347 3.98,348 1.058,349 9.415,350 2.911,351 4.203,352 3.513,353 6.169,354 3.818,355 2.828,356 3.816,357 1.058,358 9.085,359 2.795,360 3.897,361 3.153,362 5.9,363 3.542,364 2.568,365 3.291,366 0.86,367 8.15,368 2.492,369 3.799,370 2.938,371 5.865,372 3.445,373 2.457,374 3.168,375 0.4,376 8.009,377 2.409,378 3.549,379 2.804,380 5.171,381 3.233,382 2.228,383 2.71,384 0.149,385 6.192,386 2.223,387 3.389,388 2.454,389 4.66,390 3.047,391 2.075,392 2.593,394 5.185,395 2.007,396 2.945,397 1.983,398 4.401,399 2.586,400 1.614,401 2.107,403 4.191,404 1.561,405 2.899,406 1.907,407 4.253,408 2.476,409 1.535,410 2.014,412 3.926,413 1.451,414 2.869,415 1.813,416 4.198,417 2.437,418 1.458,419 1.991,421 3.827,422 1.408,423 2.767,424 1.688,425 4.16,426 2.331,427 1.344,428 1.862,430 3.612,431 1.325,432 2.588,433 1.437,434 3.872,435 2.143,436 1.133,437 1.568,439 2.838,440 1.134,441 2.411,442 1.344,443 3.373,444 2.078,445 1.066,446 1.343,448 2.482,449 1.073,450 1.725,451 1.097,452 3.043,453 1.414,454 0.53,455 0.615,457 0.9,458 0.464,459 1.592,460 0.941,461 2.944,462 1.294,463 0.334,464 0.384,466 0.784,467 0.318,468 15.767,469 0.464,470 0.907,471 0.027,472 46.5,473 1.368,474 24.5,475 0.721,476 22,477 0.647,478 26.473,479 0.779,480 36.433,481 0.628,482 40.749,483 1.199,484 9.604,485 0.282,486 6.747,487 0.198,488 0.148,490 0.381,496 0.828,497 1.192,498 0.762,499 0.981,500 0.655,501 0.866,502 0.746,503 1.109,504 0.779,505 0.966,506 0.56,507 0.893,508 0.995,509 1.047,510 0.962,511 0.979,512 0.966,513 0.958,514 1.098,515 1.11,516 1.094,517 1.081,518 1.096,519 1.081,520 0.919,521 0.915,522 0.999,523 0.954,524 1.056,525 0.995,526 0.821,527 0.967,528 0.897,529 0.983,530 0.795,531 0.961,532 0.826,533 1.048,534 0.903,535 1.01,536 0.792,537 0.977,538 1.024,539 1.016,540 0.995,541 1.016,542 1.059,543 1.001,544 7.5,545 0.262,546 4.444,547 2.188,548 2.345,549 1.167,550 0.915,551 0.636,552 0.395,553 0.383,554 16937,555 52918,556 2.042,557 41.4,559 16,562 5,563 3,567 1.758,568 1.889,569 3.762,570 2.307,572 1,577 94.018,578 1.621,579 3.689,580 4.685,581 5.384,582 5.625,583 5.625,584 3.293,585 4.617,586 5.047,587 3.964,588 2223.91,589 8.848,590 34382.9,595 339.763,596 1.484,597 5.006,598 0.203,599 0.008,600 0.085,601 0.037,602 0.044,603 0.024,604 0.02,605 0.014,606 0.01,607 0.011,608 0.457,609 0.17,610 0.88,611 1.58,612 183.751,613 -0.114,614 -0.013,615 0.007,616 0.047,617 -0.092,618 0.059,619 0.045,620 -0.001,621 0.071,622 0.045,623 0.057,624 0.057,625 -0.067,626 0.03,627 -0.059,628 0.004,629 -0.07,630 -0.018,631 -0.147,632 -0.083,633 -0.155,634 -0.097,635 -0.12,636 -0.12,637 -0.016,638 0.053,639 -0.021,640 0.046,641 -0.081,642 0.011,643 -0.006,644 0.017,645 0.068,646 0.016,647 -0.009,648 0.051,649 0.133,650 -0.046,651 0.064,652 -0.027,653 0.201,654 -0.001,655 -0.071,656 -0.024,657 -0.019,658 -0.035,659 -0.065,660 -0.019,661 1.979,662 5.872,663 0.618,664 46.81,665 1.015,666 1.124,667 1.425,668 2.03,669 0.671,670 3.638,671 3.97,672 4.234,673 4.477,674 4.762,675 4.949,676 5.124,677 5.268,678 5.481,679 5.666,680 8.173,681 0.654,682 460.53,683 3.638,684 5.187,685 6.038,686 6.917,687 7.788,688 8.673,689 9.554,690 10.445,691 11.332,692 12.226,693 6.9,700 3,701 1,709 9,714 9,716 18,723 2,728 1,732 1,733 1,735 58,737 21,738 3,739 37,741 61,742 25,743 18,744 9,745 9,746 2,748 4,749 7,754 1,762 21,763 4,767 3,772 3,776 3,780 1,783 24,784 9,785 5,786 9,792 4,797 0.5,798 5,816 3,817 1,821 2,829 1,843 2,847 2,851 34,857 1,858 2,860 4,861 1,874 8.6,876 1,877 3,879 1,881 18,882 10.867,883 7.5,884 3.217,886 3.61,887 1.431,888 0.976,889 7.053,890 11.983,891 3.912,892 4.505,893 5.061,894 5.614,895 6.202,896 6.556,897 7.003,898 7.392,899 7.872,900 8.314,901 0.9,902 59,903 12.585,905 5.421,906 8.015,907 23.313,909 18.846,911 2.515,912 85.5,916 223.651,917 149.576,918 72.043,920 129.118,923 149.576,924 352.769,925 72.043,926 19.708,927 58.244,928 85.286,929 132.232,930 55.267,932 223.651,934 223.651,935 221.619,936 129.118,939 223.651,940 129.118,943 85.08,944 136.539,947 223.651,948 201.161,949 149.576,952 223.651,953 44.581,954 104.994,955 72.043,956 129.118,957 223.651,958 201.161,959 149.576,961 0.584,962 0.337,963 0.172,964 0.095,965 24,966 12,967 0.098,968 6,969 2,970 1.19,971 4.409,972 317.344,973 0.19,974 21,975 172.974,981 23.607,982 10.157,983 5.351,985 201.161,986 15.403,991 4.595,993 114.726,994 574.388,995 49,1000 36.259,1004 -0.785,1007 58.88,1008 65.192,1009 0.277,1010 0.63,1011 0.8,1012 0.919,1013 0.96,1014 0.96,1015 5.156,1016 1.614,1017 6.033,1018 5.185,1019 4.654,1020 5.193,1021 2.59,1022 6.845,1023 4.612,1024 6.371,1025 1.535,1026 7.598,1027 4.191,1028 4.29,1029 5.066,1030 1.593,1031 7.743,1032 4.252,1033 7.685,1034 1.458,1035 9.26,1036 3.926,1037 6.256,1038 7.372,1039 3.195,1040 10.82,1041 6.179,1042 9.032,1043 1.344,1044 10.977,1045 3.827,1046 6.673,1047 8.012,1048 3.032,1049 12.502,1050 6.597,1051 10.406,1052 1.133,1053 12.729,1054 3.612,1055 8.124,1056 9.829,1057 4.145,1058 15.09,1059 8.019,1060 11.8,1061 1.066,1062 14.503,1063 2.838,1064 8.901,1065 10.825,1066 4.409,1067 17.102,1068 8.79,1069 13.209,1070 0.53,1071 16.293,1072 2.482,1073 10.144,1074 12.434,1075 5.286,1076 19.508,1077 10.013,1078 3.143,1079 0.334,1080 18.095,1081 0.9,1082 11.093,1083 13.612,1084 5.75,1085 21.67,1086 10.951,1087 2.955,1088 10.356,1089 19.906,1090 0.784,1091 12.252,1092 15.119,1093 6.512,1094 24.006,1095 12.093,1096 2.828,1097 9.415,1098 21.723,1099 4.157,1100 13.284,1101 16.395,1102 7.068,1103 26.24,1104 13.112,1105 2.568,1106 9.085,1107 23.546,1108 3.98,1109 14.41,1110 17.851,1111 7.775,1112 28.552,1113 14.223,1114 2.457,1115 8.15,1116 25.373,1117 3.816,1118 15.484,1119 19.181,1120 8.374,1121 30.822,1122 15.282,1123 2.228,1124 8.009,1125 27.203,1126 3.291,1127 16.6,1128 20.61,1129 9.052,1130 33.128,1131 16.383,1132 2.075,1133 6.192,1134 29.037,1135 3.168,1136 17.695,1137 21.972,1138 9.674,1139 35.418,1140 17.463,1141 16472,1142 29209,1143 24.274,1144 38.909,1145 55.453,1146 58.036,1147 57.38,1148 54.804,1149 54.842,1150 71.573,1151 10.865,1152 158.62,1153 53.629,1154 5.4,1155 5.629,1156 6.234,1157 5.159,1158 5.143,1159 7.157,1160 3.306,1161 17.218,1162 5.094,1163 19.897,1164 1.499,1165 1.569,1166 1.551,1167 1.481,1168 1.482,1169 1.934,1170 0.294,1171 4.287,1172 1.449,1173 4.072,1174 4.096,1175 4.034,1176 3.997,1177 7.434,1178 4.002,1179 3.923,1180 3.942,1181 3.881,1182 3.85,1183 7.428,1184 3.854,1185 3.777,1186 3.806,1187 3.728,1188 3.687,1189 7.427,1190 3.692,1191 3.681,1192 3.735,1193 3.577,1194 3.457,1195 6.47,1196 3.476,1197 3.456,1198 3.508,1199 3.378,1200 3.221,1201 4.852,1202 3.25,1203 3.321,1204 3.358,1205 3.251,1206 3.112,1207 4.738,1208 3.136,1209 3.226,1210 3.291,1211 3.059,1212 2.973,1213 4.584,1214 2.984,1215 3.169,1216 3.223,1217 3.041,1218 2.952,1219 4.297,1220 2.964,1221 0.121,1222 0.098,1223 0.177,1224 0.112,1225 0.085,1226 4.487,1227 0.112,1228 3.629,1229 0.052,1230 6.546,1231 0.28,1232 4.128,1233 0.084,1234 3.143,1235 4.157,1236 1.907,1237 10.356,1238 3.094,1239 1.99,1240 1.974,1241 2.065,1242 2.064,1243 1.206,1244 2.065,1245 1.908,1246 1.885,1247 1.991,1248 2.017,1249 1.123,1250 2.01,1251 1.761,1252 1.745,1253 1.855,1254 1.882,1255 1.054,1256 1.873,1257 1.616,1258 1.548,1259 1.843,1260 1.873,1261 0.952,1262 1.864,1263 1.382,1264 1.324,1265 1.661,1266 1.655,1267 0.705,1268 1.648,1269 1.229,1270 1.193,1271 1.569,1272 1.518,1273 0.574,1274 1.531,1275 1.179,1276 1.115,1277 1.337,1278 1.449,1279 0.362,1280 1.427,1281 1.114,1282 1.066,1283 1.287,1284 1.351,1285 0.329,1286 1.337,1287 4.317,1289 5.645,1291 7.16,1292 2.708,1293 8.762,1294 5.38,1295 10.412,1297 2.892,1302 9.863,1303 0.616,1305 11.462,1306 5.194,1314 37.928,1315 94.018,1316 213.975,1317 271.724,1318 312.253,1319 326.253,1320 326.253,1321 78.346,1322 8.372,1323 136.31,1324 136.31,1325 25,1326 12.754,1327 4.459,1328 3.7,1329 57.118,1330 168,1331 190,1332 0.17,1333 233.035,1334 415.19,1335 560.365,1336 54001,1338 24.242,1339 0.713,1340 0.55,1341 24.242,1342 18.691,1343 16.351,1344 0.442,1345 0.287,1346 10.447,1347 15.65,1348 10.186,1349 8.459,1350 16.351,1351 10.62,1352 14.913,1353 0.287,1354 0.149,1355 14.913,1356 7.725,1357 12.363,1358 0.182,1359 0.079,1360 12.363,1361 5.361,1362 9.996,1363 0.115,1364 0.042,1365 9.996,1366 3.632,1367 8.255,1368 0.071,1369 0.022,1370 8.255,1371 2.506,1372 0.272,1373 103.253,1374 0.203,1375 31.748,1376 0.455,1377 178,1378 580.423,1379 197.174,1380 555.186,1381 744.69,1382 516,1383 209,1384 535.372,1385 226.959,1386 542.311,1387 788.74,1388 509,1389 5.1}
{0 CHEMBL1975534,1 1.871,2 7.222,3 -0.87,4 0.756,5 75.987,6 11.35,7 0.526,8 3.598,9 3.732,10 3.497,11 3.087,12 4.817,13 3.05,14 4.083,15 4.256,16 3.969,17 3.519,18 5.247,19 3.436,20 4.357,21 4.551,22 4.221,23 3.671,24 5.652,25 3.538,26 4.419,27 4.648,28 4.331,29 3.633,30 5.652,31 3.482,32 4.311,33 4.566,34 3.845,35 3.562,36 5.391,37 3.309,38 4.069,39 4.309,40 3.839,41 3.296,42 5.244,43 3.12,44 3.91,45 4.138,46 3.771,47 3.15,48 5.236,49 2.949,50 3.704,51 3.952,52 3.251,53 2.845,54 5.003,55 2.578,56 0.146,57 0.506,58 2.51,59 2.7,60 25.036,61 2.997,62 0.282,63 0.765,64 7.085,65 5.032,66 37.036,67 5.514,68 0.528,69 0.878,70 24.02,71 7.385,72 76.156,73 7.701,74 0.593,75 0.868,76 23.216,77 6.737,78 71.964,79 7.761,80 0.446,81 0.729,82 50.702,83 9.318,84 50.68,85 8.636,86 0.306,87 0.573,88 33.316,89 6.686,90 37.883,91 6.361,92 0.301,93 0.493,94 29.35,95 5.898,96 42.808,97 5.365,98 0.297,99 0.375,100 34.407,101 4.781,102 42.733,103 4.325,104 30,105 27,106 0.356,107 0.741,108 0.834,109 0.869,110 0.893,111 0.905,112 2.961,113 1.015,114 -1.99,115 -2.05,116 -2.04,119 31.3,125 2,127 2,143 1,144 1,147 1,148 1,151 1,161 1,163 2,164 2,165 2,174 2,175 3,177 1,178 1,180 1,183 1,185 1,188 1,191 1,192 2,195 1,199 1,200 2,202 2,203 3,204 1,205 1,207 1,210 1,215 1,216 2,218 1,228 1,230 2,240 1,241 2,242 1,243 2,245 1,248 1,253 1,254 1,255 1,257 1,260 1,266 1,267 1,268 1,271 2,275 1,276 352,277 11.784,278 11.784,279 11.784,280 11.784,281 11.784,282 10.537,283 10.63,284 6.737,285 12.293,286 9.25,287 9.25,288 9.25,289 9.25,290 9.25,291 7.381,292 9.918,293 3.058,294 10.213,295 3.129,296 1.11,297 0.625,298 0.438,299 0.313,300 0.25,301 3.607,306 1,307 265,308 3.24,311 36.472,312 44.521,315 68.69,319 1.025,320 24.848,323 0.75,324 0.83,325 0.83,326 0.9,327 0.5,328 0.83,329 1,330 0.81,331 39.9,332 130,333 4.695,334 3.376,335 6.89,336 4.183,337 3.253,338 4.679,340 11.489,341 3.006,342 3.799,343 2.994,344 5.933,345 3.652,346 2.711,347 3.148,349 8.168,350 2.54,351 3.561,352 2.42,353 5.628,354 3.19,355 2.268,356 2.718,358 7.11,359 2.086,360 3.36,361 2.334,362 4.932,363 2.772,364 1.952,365 2.648,367 5.377,368 1.479,369 2.771,370 1.753,371 4.503,372 2.42,373 1.496,374 1.858,376 4.173,377 1.375,378 2.623,379 1.386,380 3.866,381 2.081,382 1.177,383 1.67,385 2.862,386 1.04,387 2.232,388 1.259,389 3.618,390 1.991,391 1.105,392 1.215,394 2.539,395 0.855,396 1.203,397 0.672,398 2.729,399 1.055,400 0.168,401 0.17,403 0.228,404 0.147,405 1.081,406 0.115,407 2.434,408 0.705,409 -0.199,410 -0.239,412 -0.482,413 -0.099,414 0.829,415 0.052,416 2.283,417 0.451,418 -0.406,419 -0.46,421 -0.971,422 -0.188,423 0.721,424 -0.345,425 2.162,426 0.124,427 -0.576,428 -0.757,430 -1.449,431 -0.417,432 0.156,433 -0.787,434 1.8,435 -0.273,436 -1.118,437 -1.272,439 -2.787,440 -0.932,441 -0.096,442 -1.016,443 1.548,444 -0.422,445 -1.307,446 -1.381,448 -3.006,449 -1.143,450 -0.284,451 -1.24,452 1.322,453 -0.484,454 -1.385,455 -1.674,457 -3.448,458 -1.226,459 -0.309,460 -1.374,461 1.255,462 -0.672,463 -1.576,464 -1.807,466 -4.495,467 -1.385,468 9.31,469 0.517,470 0.545,471 0.03,472 20.75,473 1.153,474 8.5,475 0.472,476 12.25,477 0.681,478 15.955,479 0.886,480 20.09,481 0.628,482 12.651,483 0.703,484 3.885,485 0.216,486 4.656,487 0.259,488 0.334,490 0.365,496 1.197,497 1.35,498 0.483,499 0.552,500 1.232,501 0.747,502 0.965,503 0.973,504 0.565,505 0.591,506 0.913,507 0.774,508 1.009,509 1.214,510 0.852,511 0.876,512 1.004,513 0.935,514 1.14,515 0.921,516 0.766,517 0.81,518 1.153,519 0.895,520 0.961,521 0.841,522 1.37,523 1.254,524 0.927,525 1.126,526 0.939,527 1.032,528 1.127,529 1.167,530 0.921,531 1.044,532 0.853,533 1.124,534 1.337,535 1.372,536 0.893,537 1.231,538 1.051,539 1.261,540 1.737,541 1.694,542 1.092,543 1.465,544 4,546 2.667,547 1.979,548 0.858,549 0.591,550 0.398,551 0.228,552 0.078,553 0.016,554 2348,555 9000,556 1.931,557 43.8,559 6,560 1,561 1,562 6,567 1.591,568 1.742,569 2.87,570 4.113,575 1,577 59.868,578 1.871,579 3.89,580 4.375,581 4.563,582 4.688,583 4.75,584 2.241,585 4.17,586 4.141,587 2.963,588 453.399,589 7.047,590 4221.44,595 160,596 1.572,597 4.056,598 0.211,600 0.099,601 0.071,602 0.036,603 0.035,604 0.025,605 0.018,606 0.011,607 0.008,608 0.512,609 0.17,610 1,611 1.672,612 75.206,613 -0.294,614 -0.122,615 -0.01,616 0.057,617 -0.304,618 0.082,619 -0.089,620 0.176,621 0.009,622 0.092,623 -0.102,624 0.098,625 0.057,626 -0.213,627 -0.001,628 0.014,629 0.073,630 0.007,631 -0.056,632 0.021,633 0.049,634 0.039,635 -0.072,636 0.027,637 -0.06,638 0.088,639 -0.104,640 -0.057,641 -0.062,642 -0.07,643 -0.003,644 -0.102,645 -0.028,646 -0.096,647 0.019,648 -0.022,649 0.122,650 -0.152,651 -0.055,652 -0.169,653 0.129,654 -0.2,655 -0.011,656 -0.332,657 -0.169,658 -0.289,659 0.002,660 -0.402,661 2.292,662 3.781,663 0.5,664 11.444,665 1.02,666 1.147,667 0.764,668 0.584,669 0.7,670 2.996,671 3.332,672 3.611,673 3.85,674 3.97,675 4.007,676 4.078,677 4.025,678 3.738,679 3.296,680 4.436,681 0.64,682 363.19,683 2.996,684 4.533,685 5.389,686 6.279,687 7.159,688 8.057,689 8.947,690 9.849,691 10.744,692 11.649,693 15.6,694 1,697 1,701 1,703 2,708 2,709 2,710 2,714 2,715 1,716 10,727 1,734 1,735 32,737 10,739 19,741 33,742 10,743 6,748 2,749 3,754 1,760 2,762 6,763 4,780 1,783 14,784 6,785 6,786 8,787 1,788 1,792 5,797 0.5,798 2,800 2,810 1,811 1,815 1,816 1,819 1,836 1,841 2,843 1,850 1,851 18,852 2,857 2,858 2,863 2,873 1,874 6.3,875 2,881 10.333,882 5.143,883 4.056,884 1.584,886 2.093,887 1.34,888 0.905,889 4.257,890 8.253,891 3.219,892 3.855,893 4.496,894 5.13,895 5.586,896 5.874,897 6.217,898 6.48,899 6.266,900 5.9,901 0.8,902 28,903 6.642,905 2.837,906 8.081,907 12.243,909 9.883,911 2.581,912 46.453,913 0.001,916 94.169,917 86.935,918 101.265,920 85.367,922 56.782,923 30.153,924 179.536,925 101.265,927 37.109,928 127.311,929 47.057,930 14.75,931 14.099,932 127.409,934 94.169,935 131.418,936 85.367,938 56.782,939 94.169,941 85.367,943 49.342,944 48.505,945 33.571,946 56.782,947 94.169,948 186.631,949 30.153,950 56.782,952 94.169,953 12.487,954 76.347,956 184.732,957 94.169,958 186.631,959 30.153,960 56.782,961 0.587,962 0.36,963 0.183,964 0.089,965 13,966 7,967 0.121,968 4,969 1,970 1.222,971 2.892,972 126.859,973 0.222,974 9,975 75.059,981 13.787,982 5.557,983 2.711,984 1.391,985 184.732,986 3.179,987 8.073,991 1.298,992 1.735,993 151.161,994 367.735,995 24,1007 32.651,1008 36.707,1009 0.374,1010 0.778,1011 0.875,1012 0.913,1013 0.938,1014 0.95,1015 4.46,1016 0.168,1017 5.407,1018 2.539,1019 4.007,1020 4.538,1022 6.263,1023 3.815,1024 5.69,1025 -0.199,1026 7.008,1027 0.228,1028 3.761,1029 4.543,1031 7.29,1032 3.443,1033 7.021,1034 -0.406,1035 8.709,1036 -0.482,1037 5.645,1038 6.845,1040 10.408,1041 5.315,1042 8.394,1043 -0.576,1044 10.468,1045 -0.971,1046 6.196,1047 7.716,1049 12.273,1050 5.766,1051 9.804,1052 -1.118,1053 12.263,1054 -1.449,1055 7.606,1056 9.545,1058 14.934,1059 7.138,1060 11.241,1061 -1.307,1062 14.083,1063 -2.787,1064 8.509,1065 10.81,1067 17.145,1068 7.948,1069 12.701,1070 -1.385,1071 15.923,1072 -3.006,1073 9.751,1074 12.461,1076 19.656,1077 9.135,1078 3.253,1079 -1.576,1080 17.778,1081 -3.448,1082 10.805,1083 13.894,1085 22.007,1086 10.101,1087 2.711,1088 11.489,1089 19.645,1090 -4.495,1091 11.991,1092 15.477,1094 24.469,1095 11.22,1096 2.268,1097 8.168,1098 21.522,1099 4.679,1100 13.11,1101 16.977,1103 26.875,1104 12.254,1105 1.952,1106 7.11,1107 23.408,1108 3.148,1109 14.281,1110 18.535,1112 29.321,1113 13.351,1114 1.496,1115 5.377,1116 25.301,1117 2.718,1118 15.429,1119 20.061,1121 31.749,1122 14.416,1123 1.177,1124 4.173,1125 27.199,1126 2.648,1127 16.598,1128 21.61,1130 34.191,1131 15.508,1132 1.105,1133 2.862,1134 29.102,1135 1.858,1136 17.759,1137 23.146,1139 36.626,1140 16.588,1141 2494,1142 4935,1143 11.849,1144 22.404,1145 28.397,1146 28.841,1147 30.951,1148 28.541,1149 28.258,1150 36.212,1152 83.893,1153 25.055,1154 5.556,1155 5.376,1156 6.434,1157 5.257,1158 5.253,1159 7.679,1161 18.624,1162 4.896,1163 11.036,1164 1.495,1165 1.518,1166 1.629,1167 1.502,1168 1.487,1169 1.906,1171 4.415,1172 1.319,1173 4.11,1174 4.154,1175 10.695,1176 4.107,1177 6.494,1178 4.008,1179 3.7,1180 3.749,1181 4.038,1182 3.537,1183 6.401,1184 3.52,1185 3.394,1186 3.482,1187 3.586,1188 3.412,1189 5.23,1190 3.183,1191 3.163,1192 3.24,1193 3.282,1194 3.096,1195 4.989,1196 2.978,1197 2.998,1198 3.108,1199 2.952,1200 2.747,1201 4.793,1202 2.716,1203 2.748,1204 2.844,1205 2.855,1206 2.637,1207 4.379,1208 2.417,1209 2.531,1210 2.591,1211 2.491,1212 2.281,1213 3.732,1214 2.23,1215 2.329,1216 2.4,1217 2.254,1218 2.113,1219 3.536,1220 2.072,1221 0.247,1222 0.178,1223 0.363,1224 0.22,1225 0.171,1226 4.695,1227 0.246,1228 3.376,1230 6.89,1231 0.605,1232 4.183,1233 0.158,1234 3.253,1235 4.679,1237 11.489,1238 3.006,1239 1.825,1240 1.785,1241 1.921,1242 2.023,1243 1.209,1244 1.992,1245 1.693,1246 1.65,1247 1.804,1248 1.886,1249 0.938,1250 1.876,1251 1.459,1252 1.401,1253 1.627,1254 1.685,1255 0.817,1256 1.683,1257 1.113,1258 1.038,1259 1.326,1260 1.384,1261 0.443,1262 1.382,1263 0.846,1264 0.763,1265 1.149,1266 1.221,1267 0.093,1268 1.22,1269 0.806,1270 0.689,1271 1.067,1272 1.103,1274 1.112,1275 0.539,1276 0.435,1277 0.906,1278 0.975,1280 0.947,1281 0.248,1282 0.151,1283 0.764,1284 0.741,1286 0.753,1287 3.664,1289 4.99,1290 2.398,1291 6.515,1292 4.844,1293 8.13,1294 7.034,1295 9.796,1300 2.128,1301 11.088,1302 19.255,1303 0.211,1308 -1.906,1314 20.487,1315 59.868,1316 124.49,1317 140,1318 146,1319 150,1320 152,1321 36.117,1322 6.159,1323 123.21,1324 123.21,1325 11,1326 12.169,1327 3.459,1328 2.585,1329 30.876,1330 47,1331 50,1332 0.339,1333 139.746,1334 222.34,1335 332.741,1336 2892,1337 3.1,1338 13.284,1339 0.738,1340 0.647,1341 14.784,1342 11.65,1343 8.541,1344 0.45,1345 0.338,1346 5.302,1347 7.438,1348 5.171,1349 4.238,1350 9.407,1351 6.431,1352 7.721,1353 0.286,1354 0.19,1355 8.833,1356 5.12,1357 6.575,1358 0.183,1359 0.098,1360 7.506,1361 3.524,1362 5.208,1363 0.113,1364 0.056,1365 6.526,1366 2.572,1367 3.681,1368 0.071,1369 0.03,1370 4.612,1371 1.548,1372 0.507,1373 68.093,1374 0.291,1375 17.713,1376 1,1377 92,1378 295.508,1379 252.86,1380 325.053,1381 422.74,1382 300,1383 109,1384 273.221,1385 180.857,1386 290.224,1387 427.63,1388 272,1389 5.1}
{0 CHEMBL1975647,1 1.789,2 8.81,3 1.153,4 1.328,5 72.629,6 9.138,7 0.739,8 3.586,9 3.7,10 3.312,11 3.115,12 4.908,13 3.155,14 4.02,15 4.159,16 3.648,17 3.443,18 5.406,19 3.469,20 4.232,21 4.415,22 3.681,23 3.498,24 5.599,25 3.52,26 4.16,27 4.346,28 3.578,29 3.377,30 5.563,31 3.395,32 4.124,33 4.318,34 3.449,35 3.252,36 5.583,37 3.272,38 3.983,39 4.189,40 3.248,41 3.092,42 5.382,43 3.103,44 3.777,45 3.972,46 3.176,47 3.003,48 5.328,49 3.006,50 3.658,51 3.854,52 3.022,53 2.962,54 4.919,55 2.946,56 0.122,57 0.585,58 3.775,59 2.217,60 8.96,61 2.25,62 0.285,63 0.874,64 6.7,65 3.48,66 19.076,67 3.717,68 0.464,69 1.026,70 11.319,71 4.336,72 50.351,73 4.566,74 0.39,75 0.924,76 10.637,77 4.366,78 37.144,79 4.83,80 0.498,81 0.82,82 11.456,83 4.047,84 51.762,85 4.275,86 0.438,87 0.663,88 10.939,89 3.683,90 55.378,91 3.984,92 0.403,93 0.579,94 8.313,95 2.896,96 57.739,97 3.401,98 0.231,99 0.555,100 6.595,101 2.631,102 26.19,103 2.968,104 5,105 31,106 0.331,107 0.625,108 0.797,109 0.904,110 0.916,111 0.916,112 3.103,113 0.797,114 -2.47,115 -2.5,116 -2.45,119 45.2,142 4,143 1,144 2,145 4,146 1,147 1,159 1,172 3,175 2,178 3,179 1,180 2,183 3,187 1,188 2,191 1,193 1,196 2,199 1,200 3,203 2,205 3,208 1,212 1,213 1,216 1,218 2,221 1,224 1,225 3,228 1,230 1,238 4,243 1,249 1,250 2,263 1,264 2,276 549,277 14.345,278 14.345,279 14.345,280 14.345,281 14.345,282 12.107,283 13.35,284 8.686,285 14.685,286 11.382,287 11.382,288 11.382,289 11.382,290 11.382,291 8.132,292 18.993,293 4.137,294 11.941,295 3.166,296 1.573,297 0.645,298 0.065,301 3.787,305 1,306 1,307 400,308 2.739,312 168.595,316 87.063,319 1.283,320 26.902,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 47,332 185,333 4.575,334 3.571,335 6.669,336 4.094,337 3.122,338 4.528,339 1.656,340 10.72,341 3.031,342 3.974,343 3.241,344 5.699,345 3.582,346 2.638,347 3.48,348 0.247,349 7.684,350 2.481,351 3.769,352 2.66,353 5.452,354 3.331,355 2.387,356 3.227,358 7.152,359 2.242,360 3.439,361 2.524,362 4.834,363 2.98,364 2.004,365 2.68,367 5.398,368 1.936,369 3.118,370 1.732,371 4.356,372 2.587,373 1.618,374 2.427,376 3.918,377 1.565,378 2.882,379 1.618,380 4.082,381 2.405,382 1.458,383 2.042,385 3.749,386 1.377,387 2.823,388 1.519,389 3.574,390 2.316,391 1.347,392 1.955,394 2.987,395 1.298,396 2.56,397 1.2,398 3.436,399 2.066,400 1.112,401 1.577,403 2.43,404 1.052,405 2.5,406 1,407 3.247,408 1.916,409 1,410 1.5,412 2.136,413 0.914,414 1.444,415 0.685,416 2.891,417 1.059,418 0.136,419 0.166,421 0.347,422 0.124,423 1.179,424 0.408,425 2.448,426 0.771,427 -0.174,428 -0.221,430 -0.417,431 -0.16,432 0.98,433 0.096,434 2.319,435 0.537,436 -0.421,437 -0.559,439 -0.968,440 -0.391,441 0.882,442 -0.478,443 2.275,444 0.36,445 -0.618,446 -0.927,448 -1.594,449 -0.603,450 0.547,451 -0.618,452 1.947,453 0.052,454 -0.938,455 -1.235,457 -2.228,458 -0.877,459 0.5,460 -0.81,461 1.555,462 -0.032,463 -1,464 -1.49,466 -2.347,467 -0.942,468 9.619,469 0.458,470 0.435,471 0.021,472 33,473 1.571,474 18.5,475 0.881,476 14.5,477 0.69,478 10.839,479 0.516,480 21.581,481 0.696,482 22.189,483 1.057,484 6.802,485 0.324,486 3.435,487 0.164,488 0.064,490 0.312,494 1,496 0.71,497 1.164,498 0.617,499 0.969,500 0.557,501 0.802,502 0.643,503 1.058,504 0.781,505 1.026,506 0.613,507 0.969,508 1.081,509 0.971,510 1.014,511 0.92,512 1.044,513 0.93,514 1.027,515 1.149,516 0.976,517 1.16,518 0.996,519 1.082,520 1.295,521 0.953,522 1.162,523 1.036,524 1.416,525 1.052,526 1.356,527 0.897,528 1.138,529 0.918,530 1.514,531 0.952,532 0.77,533 0.791,534 0.871,535 0.817,536 0.784,537 0.862,538 0.939,539 0.982,540 1.054,541 0.957,542 0.869,543 1.017,544 3.5,545 0.033,546 2,547 1.438,548 1.018,549 0.444,550 0.365,551 0.141,552 0.107,553 0.078,554 4459,555 15668,556 2.102,557 32.3,559 4,561 4,562 2,567 1.631,568 2,569 3.14,570 0.425,572 1,574 1,577 55.448,578 1.789,579 3.381,580 4.309,581 4.89,582 4.954,583 4.954,584 2.512,585 4.107,586 4.367,587 3.271,588 686.839,589 7.475,590 7310.79,591 1,592 1,595 153.58,596 1.268,597 4.338,598 0.152,599 0.005,600 0.065,601 0.046,602 0.038,603 0.019,604 0.019,605 0.008,606 0.007,607 0.006,608 0.364,609 0.67,610 1,611 0.532,612 94.853,613 -0.112,614 -0.19,615 0.011,616 -0.053,617 -0.072,618 0.009,619 0.076,620 -0.081,621 -0.057,622 -0.119,623 0.011,624 -0.138,625 -0.114,626 0.026,627 -0.1,628 0.013,629 -0.101,630 -0.022,631 -0.035,632 -0.17,633 -0.018,634 -0.2,635 0.001,636 -0.13,637 -0.105,638 0.007,639 -0.127,640 -0.076,641 -0.115,642 -0.098,643 -0.178,644 -0.012,645 -0.049,646 0.063,647 -0.184,648 0.056,649 0.222,650 0.093,651 0.143,652 0.16,653 0.275,654 0.138,655 -0.132,656 -0.032,657 -0.125,658 0.008,659 -0.134,660 -0.039,661 2.16,662 5.641,663 0.762,664 14.34,665 1.032,666 1.138,667 1.242,668 1.543,669 0.7,670 3.178,671 3.466,672 3.714,673 3.97,674 4.159,675 4.078,676 4.159,677 4.19,678 4.234,679 4.094,680 5.353,681 0.703,682 283.29,683 3.178,684 4.691,685 5.525,686 6.389,687 7.239,688 8.108,689 8.966,690 9.837,691 10.699,692 11.572,693 16.1,700 2,703 3,708 2,709 8,710 3,714 3,716 17,734 1,735 31,737 18,738 1,739 23,741 33,742 14,743 13,744 3,745 3,748 3,749 4,753 1,762 14,767 1,772 1,776 1,779 1,780 1,781 1,783 10,784 7,785 2,786 7,792 5,797 0.667,798 1,806 1,809 1,816 3,820 1,843 2,849 1,851 21,860 2,873 1,874 3.2,877 1,881 10.5,882 5.576,883 4.667,884 1.659,886 3.282,887 1.489,888 1.016,889 3.606,890 9.997,891 3.512,892 4.127,893 4.718,894 5.332,895 5.881,896 6.021,897 6.379,898 6.694,899 7.012,900 6.855,901 0.833,902 31,903 7.716,905 3.307,906 8.119,907 14.033,909 11.045,911 2.619,912 55,916 94.169,917 97.293,918 86.378,920 25.145,921 14.96,923 97.293,924 119.314,925 101.338,927 36.022,928 37.905,929 122.586,930 52.785,931 21.564,932 47.084,934 94.169,935 183.671,936 40.105,939 109.129,940 25.145,943 74.355,944 58.959,945 50.357,947 109.129,948 111.523,949 97.293,952 94.169,953 23.199,954 74.095,955 36.022,956 90.462,957 94.169,958 126.483,959 97.293,961 0.571,962 0.332,963 0.187,964 0.1,965 15,966 6,967 0.061,968 2,969 1,970 1.125,971 3.391,972 158.089,973 0.125,974 16,975 92.239,981 13.252,982 5.714,983 2.895,984 0.724,985 126.483,986 11.98,987 11.735,991 0.339,993 36.022,994 317.945,995 32.5,1000 11.906,1004 -0.493,1007 32,1008 35.286,1009 0.361,1010 0.683,1011 0.87,1012 0.987,1013 1,1014 1,1015 4.703,1016 1.112,1017 5.485,1018 2.987,1019 4.143,1020 4.812,1021 1.758,1022 6.26,1023 4.051,1024 5.909,1025 1,1026 7.015,1027 2.43,1028 3.611,1029 4.543,1030 1.195,1031 7.096,1032 3.487,1033 7.206,1034 0.136,1035 8.65,1036 2.136,1037 5.687,1038 7.053,1039 2.415,1040 10.218,1041 5.513,1042 8.543,1043 -0.174,1044 10.35,1045 0.347,1046 5.994,1047 7.654,1048 2.324,1049 11.944,1050 5.792,1051 9.912,1052 -0.421,1053 12.094,1054 -0.417,1055 7.523,1056 9.613,1057 3.244,1058 14.574,1059 7.28,1060 11.307,1061 -0.618,1062 13.869,1063 -0.968,1064 8.249,1065 10.668,1066 3.407,1067 16.673,1068 7.982,1069 12.724,1070 -0.938,1071 15.668,1072 -1.594,1073 9.538,1074 12.375,1075 4.156,1076 19.135,1077 9.237,1078 3.122,1079 -1,1080 17.485,1081 -2.228,1082 10.472,1083 13.664,1084 4.464,1085 21.391,1086 10.149,1087 2.638,1088 10.72,1089 19.316,1090 -2.347,1091 11.659,1092 15.258,1093 5.111,1094 23.795,1095 11.306,1096 2.387,1097 7.684,1098 21.158,1099 4.528,1100 12.693,1101 16.662,1102 5.504,1103 26.117,1104 12.319,1105 2.004,1106 7.152,1107 23.009,1108 3.48,1109 13.84,1110 18.206,1111 6.091,1112 28.5,1113 13.439,1114 1.618,1115 5.398,1116 24.869,1117 3.227,1118 14.924,1119 19.666,1120 6.531,1121 30.85,1122 14.5,1123 1.458,1124 3.918,1125 26.734,1126 2.68,1127 16.057,1128 21.189,1129 7.083,1130 33.226,1131 15.607,1132 1.347,1133 3.749,1134 28.604,1135 2.427,1136 17.165,1137 22.675,1138 7.551,1139 35.588,1140 16.691,1141 4306,1142 8186,1143 15.603,1144 21.705,1145 33.908,1146 35.042,1147 34.567,1148 33.624,1149 33.643,1150 47.164,1151 3.806,1152 93.043,1153 32.043,1154 5.441,1155 5.571,1156 6.471,1157 5.162,1158 5.122,1159 7.528,1160 2.912,1161 17.842,1162 5.031,1163 7.711,1164 1.474,1165 1.524,1166 1.503,1167 1.462,1168 1.463,1169 2.051,1170 0.165,1171 4.045,1172 1.393,1173 4.075,1174 4.104,1175 4.047,1176 3.993,1177 8.201,1178 4.002,1179 3.834,1180 3.893,1181 3.79,1182 3.637,1183 7.431,1184 3.669,1185 3.523,1186 3.569,1187 3.464,1188 3.376,1189 5.008,1190 3.383,1191 3.342,1192 3.394,1193 3.272,1194 3.075,1195 4.936,1196 3.125,1197 3.016,1198 3.071,1199 2.964,1200 2.841,1201 4.351,1202 2.86,1203 2.82,1204 2.884,1205 2.7,1206 2.653,1207 4.134,1208 2.658,1209 2.668,1210 2.741,1211 2.546,1212 2.569,1213 4.017,1214 2.556,1215 2.614,1216 2.705,1217 2.524,1218 2.284,1219 3.819,1220 2.33,1221 0.199,1222 0.155,1223 0.29,1224 0.178,1225 0.136,1226 4.575,1227 0.197,1228 3.571,1229 0.072,1230 6.669,1231 0.466,1232 4.094,1233 0.132,1234 3.122,1235 4.528,1236 1.656,1237 10.72,1238 3.031,1239 2.026,1240 2.003,1241 2.088,1242 2.126,1243 1.206,1244 2.115,1245 1.738,1246 1.682,1247 1.836,1248 1.955,1249 0.755,1250 1.925,1251 1.472,1252 1.43,1253 1.627,1254 1.66,1255 0.653,1256 1.642,1257 1.216,1258 1.165,1259 1.362,1260 1.501,1261 0.293,1262 1.474,1263 0.945,1264 0.896,1265 1.129,1266 1.161,1267 0.168,1268 1.147,1269 0.79,1270 0.736,1271 1.029,1272 1.012,1273 0.033,1274 1.022,1275 0.681,1276 0.632,1277 0.905,1278 0.874,1279 0.012,1280 0.874,1281 0.495,1282 0.387,1283 0.798,1284 0.822,1286 0.837,1287 3.85,1289 5.142,1291 6.642,1293 8.241,1295 9.891,1299 13.641,1305 5.168,1314 21.786,1315 55.448,1316 104.825,1317 133.58,1318 151.58,1319 153.58,1320 153.58,1321 33.978,1322 6.715,1323 79.8,1324 79.8,1325 18,1326 12.116,1327 4.248,1328 3.392,1329 32.219,1330 67,1331 65,1332 0.236,1333 135.702,1334 227.08,1335 322.874,1336 6991,1337 3.2,1338 14.656,1339 0.698,1340 0.512,1341 13.786,1342 10.747,1343 10.237,1344 0.445,1345 0.266,1346 5.989,1347 9.72,1348 5.921,1349 4.909,1350 9.826,1351 6.111,1352 9.007,1353 0.291,1354 0.134,1355 8.48,1356 4.164,1357 7.361,1358 0.184,1359 0.069,1360 6.889,1361 2.775,1362 6.337,1363 0.122,1364 0.036,1365 5.969,1366 1.883,1367 5.046,1368 0.08,1369 0.019,1370 4.795,1371 1.201,1372 0.366,1373 65.091,1374 0.253,1375 20.83,1376 0.655,1377 108,1378 425.448,1379 123.204,1380 386.786,1381 516.17,1382 360,1383 125,1384 372.519,1385 139.326,1386 370.089,1387 536.89,1388 348,1389 5.9}
{0 CHEMBL1975787,1 1.904,2 7.7,3 2.764,4 7.641,5 73.213,6 10.368,7 0.727,8 3.488,9 3.566,10 3.369,11 3.179,12 4.857,13 3.163,14 3.929,15 4.018,16 3.798,17 3.574,18 5.399,19 3.541,20 4.137,21 4.248,22 3.865,23 3.61,24 5.594,25 3.587,26 4.119,27 4.255,28 3.723,29 3.519,30 5.714,31 3.492,32 4.042,33 4.214,34 3.572,35 3.407,36 5.448,37 3.366,38 3.955,39 4.107,40 3.586,41 3.247,42 5.506,43 3.228,44 3.741,45 3.94,46 3.065,47 2.87,48 5.234,49 2.823,50 3.365,51 3.543,52 2.96,53 2.245,54 5.371,55 2.365,56 0.137,57 0.533,58 2.252,59 2.343,60 23.849,61 1.969,62 0.252,63 0.848,64 4.425,65 4.041,66 41.592,67 3.545,68 0.434,69 1.075,70 10.87,71 5.668,72 77.919,73 4.449,74 0.549,75 1.137,76 9.818,77 5.435,78 97.728,79 4.635,80 0.413,81 0.921,82 10.021,83 5.009,84 64.067,85 4.922,86 0.392,87 0.883,88 9.39,89 4.685,90 61.443,91 3.878,92 0.396,93 0.691,94 10.37,95 4.087,96 64.108,97 3.659,98 0.402,99 0.533,100 6.616,101 2.571,102 77.247,103 2.036,104 18,105 32,106 0.36,107 0.683,108 0.815,109 0.896,110 0.896,111 0.896,112 3.059,113 0.887,114 -3.82,115 -3.78,116 -3.6,119 50,142 4,143 3,144 2,145 2,152 2,158 1,163 1,164 1,165 1,172 5,175 1,177 1,178 1,183 8,188 5,193 2,196 6,198 2,200 3,205 1,208 4,210 1,213 3,218 1,221 3,223 1,224 1,225 1,227 1,228 1,230 1,233 2,235 1,238 1,243 1,248 1,250 2,255 2,260 2,276 466,277 13.223,278 13.223,279 13.223,280 13.223,281 13.223,282 11.184,283 6.079,284 7.603,285 13.538,286 10.844,287 10.844,288 10.844,289 10.844,290 10.844,291 7.758,292 4.338,293 3.593,294 11.431,295 2.904,296 1.197,297 0.5,298 0.071,299 0.071,300 0.071,301 3.733,305 1,306 1,307 327,308 2.55,311 37.309,312 103.337,315 71.529,319 1.13,320 34.662,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 45,332 154,333 4.649,334 3.521,335 6.804,336 4.192,337 3.222,338 4.586,339 0.98,340 11.239,341 3.128,342 4.243,343 3.292,344 6.184,345 3.793,346 2.847,347 3.912,349 9.108,350 2.681,351 3.864,352 2.958,353 5.751,354 3.448,355 2.474,356 3.296,358 7.545,359 2.392,360 3.538,361 2.667,362 5.189,363 3.094,364 2.151,365 2.903,367 6.232,368 2.003,369 3.147,370 2.149,371 4.796,372 2.656,373 1.741,374 2.403,376 5.016,377 1.566,378 2.997,379 1.717,380 4.239,381 2.446,382 1.493,383 2.213,385 3.727,386 1.415,387 2.747,388 1.419,389 3.923,390 2.244,391 1.283,392 1.857,394 3.24,395 1.222,396 2.543,397 1.308,398 3.667,399 1.958,400 1,401 1.466,403 2.459,404 0.933,405 2.01,406 0.662,407 3.282,408 1.449,409 0.556,410 0.794,412 1.471,413 0.485,414 1.323,415 0.269,416 2.693,417 0.885,418 -0.027,419 -0.036,421 -0.066,422 -0.024,423 0.827,424 0.235,425 2.359,426 0.365,427 -0.514,428 -0.621,430 -1.242,431 -0.426,432 0.783,433 0.115,434 2.311,435 0.293,436 -0.633,437 -0.872,439 -1.616,440 -0.576,441 0.5,442 -0.53,443 2,444 0.051,445 -1,446 -1.274,448 -2,449 -0.913,450 0.479,451 -1,452 2,453 -0.064,454 -1,455 -1.5,457 -2.873,458 -1.016,459 0.118,460 -1.006,461 1.684,462 -0.25,463 -1.17,464 -1.591,466 -3.257,467 -1.085,468 9.538,469 0.477,470 0.613,471 0.031,472 28,473 1.4,474 15.5,475 0.775,476 12.5,477 0.625,478 13.15,479 0.658,480 20.462,481 0.731,482 19.372,483 0.969,484 5.648,485 0.282,486 3.91,487 0.196,488 0.137,490 0.419,494 2,496 0.586,497 0.724,498 0.634,499 0.677,500 0.588,501 0.652,502 0.619,503 0.806,504 0.735,505 0.793,506 0.56,507 0.761,508 1.057,509 1.098,510 1.169,511 1.214,512 1.073,513 1.055,514 0.88,515 0.994,516 1.076,517 1.087,518 0.86,519 1.119,520 0.805,521 0.884,522 0.905,523 0.927,524 0.77,525 1.006,526 0.996,527 1.119,528 1.049,529 1.183,530 1.029,531 1.139,532 1.197,533 1.046,534 1.348,535 1.175,536 1.203,537 1.209,538 1.424,539 1.42,540 0.757,541 1.11,542 1.498,543 0.987,544 4.5,546 2.667,547 1.694,548 1.352,549 0.639,550 0.599,551 0.265,552 0.121,553 0.071,554 3369,555 14269,556 2.048,557 28.6,559 4,561 2,562 2,567 1.623,568 1.875,569 2.944,570 0.41,572 1,574 1,577 53.303,578 1.904,579 3.611,580 4.307,581 4.736,582 4.736,583 4.736,584 2.39,585 4.022,586 4.293,587 3.037,588 577,589 7.36,590 5689.31,591 1,592 1,593 1,594 1,595 134.606,596 1.522,597 4.231,598 0.205,600 0.083,601 0.053,602 0.047,603 0.026,604 0.027,605 0.02,606 0.012,607 0.024,608 0.497,609 0.83,610 1,611 0.897,612 86.559,613 -0.064,614 0.068,615 0.003,616 0.134,617 -0.08,618 0.11,619 0.002,620 0.028,621 0.056,622 0.115,623 0.051,624 0.07,625 -0.15,626 -0.125,627 -0.16,628 -0.18,629 -0.159,630 -0.145,631 0.035,632 -0.024,633 -0.168,634 -0.143,635 0.041,636 -0.191,637 -0.012,638 -0.021,639 0.021,640 -0.007,641 -0.013,642 0.018,643 -0.05,644 -0.196,645 -0.006,646 -0.192,647 -0.085,648 -0.169,649 -0.112,650 -0.066,651 -0.166,652 -0.118,653 -0.121,654 -0.092,655 0.215,656 -0.19,657 0.333,658 -0.124,659 0.219,660 0.032,661 2.342,662 5.873,663 0.75,664 12.63,665 1.042,666 1.124,667 2.595,668 6.732,669 0.751,670 3.135,671 3.497,672 3.784,673 4.078,674 4.317,675 4.419,676 4.466,677 4.564,678 4.466,679 4.466,680 4.611,681 0.744,682 290.31,683 3.135,684 4.691,685 5.557,686 6.457,687 7.347,688 8.252,689 9.15,690 10.058,691 10.96,692 11.868,693 7.1,700 1,703 1,708 2,709 6,710 1,713 1,714 5,716 16,722 1,734 2,735 28,737 17,738 1,739 22,741 30,742 14,743 13,744 3,745 3,746 1,748 3,749 4,762 14,767 1,772 1,776 1,780 1,781 2,783 8,784 5,785 2,786 6,787 1,792 2,797 0.667,798 1,809 1,815 1,816 2,819 1,843 2,845 1,849 2,851 20,852 1,869 1,873 2,874 3.6,877 1,881 10.667,882 5.152,883 4.306,884 1.503,886 3.317,887 1.489,888 1.046,889 3.129,890 10.102,891 3.466,892 4.155,893 4.811,894 5.476,895 6.067,896 6.47,897 6.876,898 7.333,899 7.541,900 7.885,901 1,902 32,903 7.417,905 3.342,906 8.358,907 13.34,909 11.07,911 2.858,912 57.167,916 70.627,917 121.273,918 49.683,920 25.145,921 29.92,922 31.278,923 89.995,924 95.772,925 79.603,927 32.897,928 37.905,929 70.177,930 45.281,931 32.024,932 78.362,934 70.627,935 139.678,936 55.065,937 31.278,939 100.547,940 25.145,943 50.992,944 71.9,945 16.786,946 31.278,947 100.547,948 74.828,949 121.273,952 70.627,953 65.273,954 56,956 104.748,957 70.627,958 104.748,959 121.273,961 0.594,962 0.348,963 0.189,964 0.108,965 17,966 8,967 0.067,968 2,969 1,970 1.133,971 3.129,972 156.805,973 0.133,974 15,975 86.439,977 1,981 12.98,982 4.821,983 2.276,984 1.393,985 104.748,986 8.006,987 4.023,990 1.19,991 -0.209,993 32.897,994 296.647,995 31,1000 11.219,1004 -0.545,1007 29.167,1008 31.466,1009 0.396,1010 0.751,1011 0.896,1012 0.985,1013 0.985,1014 0.985,1015 4.7,1016 1,1017 5.572,1018 3.24,1019 4.174,1020 4.84,1021 1.072,1022 6.425,1023 4.073,1024 5.956,1025 0.556,1026 7.162,1027 2.459,1028 3.892,1029 4.796,1031 7.405,1032 3.744,1033 7.293,1034 -0.027,1035 8.85,1036 1.471,1037 5.808,1038 7.159,1039 1.045,1040 10.524,1041 5.634,1042 8.668,1043 -0.514,1044 10.595,1045 -0.066,1046 6.312,1047 7.926,1049 12.328,1050 6.093,1051 10.073,1052 -0.633,1053 12.376,1054 -1.242,1055 7.745,1056 9.783,1057 1.019,1058 14.979,1059 7.506,1060 11.5,1061 -1,1062 14.182,1063 -1.616,1064 8.6,1065 10.935,1067 17.126,1068 8.321,1069 12.945,1070 -1,1071 16.007,1072 -2,1073 9.85,1074 12.586,1075 0.993,1076 19.617,1077 9.55,1078 3.222,1079 -1.17,1080 17.846,1081 -2.873,1082 10.866,1083 13.926,1085 21.912,1086 10.53,1087 2.847,1088 11.239,1089 19.696,1090 -3.257,1091 12.046,1092 15.49,1093 0.967,1094 24.348,1095 11.688,1096 2.474,1097 9.108,1098 21.556,1099 4.586,1100 13.136,1101 16.92,1103 26.708,1104 12.745,1105 2.151,1106 7.545,1107 23.423,1108 3.912,1109 14.294,1110 18.45,1111 0.942,1112 29.126,1113 13.879,1114 1.741,1115 6.232,1116 25.296,1117 3.296,1118 15.418,1119 19.924,1121 31.516,1122 14.974,1123 1.493,1124 5.016,1125 27.174,1126 2.903,1127 16.57,1128 21.442,1129 0.917,1130 33.93,1131 16.101,1132 1.283,1133 3.727,1134 29.058,1135 2.403,1136 17.711,1137 22.937,1139 36.333,1140 17.214,1141 3367,1142 7010,1143 14.334,1144 21.034,1145 34.111,1146 34.635,1147 35.307,1148 33.621,1149 33.534,1150 46.859,1151 1.96,1152 100.073,1153 31.649,1154 5.303,1155 5.521,1156 6.322,1157 5.299,1158 5.222,1159 7.586,1160 1.96,1161 18.637,1162 5.128,1163 10.776,1164 1.551,1165 1.574,1166 1.605,1167 1.528,1168 1.524,1169 2.13,1170 0.089,1171 4.549,1172 1.439,1173 4.107,1174 4.116,1175 4.339,1176 4.111,1177 8.211,1178 4.071,1179 3.848,1180 3.866,1181 3.882,1182 3.794,1183 8.191,1184 3.781,1185 3.475,1186 3.515,1187 3.47,1188 3.298,1189 7.437,1190 3.309,1191 3.069,1192 3.132,1193 3.173,1194 2.921,1195 4.967,1196 2.911,1197 2.985,1198 3.027,1199 2.937,1200 2.759,1201 4.863,1202 2.795,1203 2.895,1204 2.954,1205 2.82,1206 2.733,1207 4.465,1208 2.734,1209 2.628,1210 2.682,1211 2.66,1212 2.489,1213 4.249,1214 2.476,1215 2.342,1216 2.431,1217 2.256,1218 2.074,1219 3.654,1220 2.018,1221 0.211,1222 0.16,1223 0.309,1224 0.191,1225 0.146,1226 4.649,1227 0.208,1228 3.521,1229 0.045,1230 6.804,1231 0.511,1232 4.192,1233 0.142,1234 3.222,1235 4.586,1236 0.98,1237 11.239,1238 3.128,1239 1.975,1240 1.959,1241 2.028,1242 2.05,1243 1.184,1244 2.046,1245 1.722,1246 1.7,1247 1.798,1248 1.829,1249 0.903,1250 1.824,1251 1.534,1252 1.538,1253 1.538,1254 1.696,1255 0.685,1256 1.68,1257 0.976,1258 0.943,1259 1.19,1260 1.228,1261 0.223,1262 1.242,1263 0.9,1264 0.835,1265 1.121,1266 1.069,1267 0.149,1268 1.085,1269 0.859,1270 0.804,1271 1.065,1272 1.059,1274 1.064,1275 0.692,1276 0.647,1277 0.819,1278 0.888,1280 0.902,1281 0.389,1282 0.318,1283 0.605,1284 0.679,1286 0.673,1287 3.807,1289 5.153,1290 2.398,1291 6.693,1292 4.727,1293 8.325,1294 6.862,1295 10.004,1299 26.846,1301 5.244,1314 20.819,1315 53.303,1316 101.096,1317 120.606,1318 132.606,1319 132.606,1320 132.606,1321 43.863,1322 6.786,1323 55.98,1324 84.22,1325 17,1326 12.386,1327 4.17,1328 3.322,1329 29.78,1330 54,1331 56,1332 0.279,1333 130.576,1334 221.3,1335 310.365,1336 6761,1337 7.1,1338 14.276,1339 0.714,1340 0.544,1341 12.889,1342 10.878,1343 9.559,1344 0.434,1345 0.296,1346 5.668,1347 8.699,1348 5.509,1349 4.514,1350 9.162,1351 6.505,1352 9.054,1353 0.283,1354 0.165,1355 8.535,1356 5.282,1357 7.439,1358 0.173,1359 0.093,1360 7.522,1361 3.995,1362 6.289,1363 0.108,1364 0.05,1365 6.409,1366 2.911,1367 5.076,1368 0.069,1369 0.026,1370 5.402,1371 1.961,1372 0.417,1373 64.532,1374 0.264,1375 19.38,1376 0.832,1377 108,1378 461.776,1379 145.914,1380 417.903,1381 545.87,1382 386,1383 129,1384 367.004,1385 164.056,1386 377.734,1387 554.47,1388 355,1389 5.6}
{0 CHEMBL1975900,1 1.828,2 10.087,3 2.027,4 4.107,5 91.283,6 10.241,7 0.48,8 3.659,9 3.748,10 3.482,11 3.297,12 4.918,13 3.293,14 4.095,15 4.212,16 3.84,17 3.62,18 5.376,19 3.602,20 4.321,21 4.472,22 4.022,23 3.71,24 5.746,25 3.645,26 4.287,27 4.482,28 3.645,29 3.576,30 5.473,31 3.49,32 4.206,33 4.386,34 3.608,35 3.497,36 5.46,37 3.453,38 4.118,39 4.247,40 3.652,41 3.448,42 5.554,43 3.439,44 4.078,45 4.211,46 3.609,47 3.362,48 5.576,49 3.351,50 3.962,51 4.125,52 3.584,53 3.235,54 5.441,55 3.195,56 0.116,57 0.475,58 2.863,59 2.453,60 10.104,61 2.516,62 0.216,63 0.717,64 5.875,65 4.062,66 21.359,67 4.197,68 0.523,69 0.842,70 17.242,71 5.875,72 60.714,73 6.499,74 0.479,75 0.812,76 16.993,77 6.019,78 49.141,79 6.87,80 0.449,81 0.719,82 16.853,83 5.582,84 58.49,85 5.968,86 0.394,87 0.651,88 12.493,89 4.689,90 45.297,91 4.419,92 0.434,93 0.628,94 9.738,95 4.352,96 54.061,97 3.792,98 0.455,99 0.516,100 11.765,101 4.38,102 64.043,103 4.433,104 17,105 35,106 0.333,107 0.673,108 0.779,109 0.851,110 0.873,111 0.873,112 3.188,113 0.9,114 -2.75,115 -2.76,116 -2.68,119 47.1,125 1,138 2,142 5,143 1,144 3,145 2,156 2,172 3,175 2,180 3,183 5,187 1,191 2,192 1,193 2,196 6,203 3,205 1,208 2,213 3,218 4,225 5,230 3,237 1,238 3,241 1,243 1,246 2,249 1,250 2,255 1,258 4,264 3,269 1,272 2,276 777,277 15.345,278 15.345,279 15.345,280 15.345,281 15.345,282 13.335,283 17.812,284 8.986,285 15.707,286 12.286,287 12.286,288 12.286,289 12.286,290 12.286,291 9.207,292 27.533,293 4.269,294 12.973,295 3.259,296 1.39,297 0.812,298 0.412,299 0.294,300 0.294,301 3.863,302 2,304 1,305 1,306 1,307 494,308 2.646,310 59.904,312 160.531,319 1.49,320 29.664,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 50.167,332 232,333 4.651,334 3.967,335 6.95,336 4.305,337 3.297,338 4.157,339 0.657,340 11.621,341 3.322,342 4.213,343 3.32,344 5.951,345 3.739,346 2.827,347 3.868,348 0.4,349 8.322,350 2.58,351 3.881,352 2.85,353 5.41,354 3.462,355 2.491,356 3.428,358 7.099,359 2.416,360 3.52,361 2.717,362 5.223,363 3.144,364 2.219,365 2.822,367 6.438,368 1.928,369 3.084,370 2.618,371 4.919,372 2.584,373 1.613,374 2.189,376 4.78,377 1.562,378 2.94,379 2.235,380 4.822,381 2.58,382 1.58,383 2.007,385 4.496,386 1.558,387 2.82,388 2.131,389 4.043,390 2.306,391 1.414,392 1.948,394 3.525,395 1.241,396 2.768,397 1.603,398 3.604,399 2.26,400 1.279,401 1.74,403 2.971,404 1.199,405 2.5,406 1.276,407 3.316,408 1.984,409 1,410 1.5,412 2.136,413 0.983,414 2.033,415 1,416 3.247,417 1.671,418 0.691,419 0.85,421 1.646,422 0.656,423 1.526,424 0.837,425 2.866,426 1.121,427 0.196,428 0.244,430 0.448,431 0.152,432 1.232,433 0.487,434 2.498,435 0.78,436 -0.054,437 -0.067,439 -0.129,440 -0.042,441 0.861,442 -0.008,443 2.373,444 0.458,445 -0.491,446 -0.623,448 -1.19,449 -0.402,450 0.698,451 -0.175,452 2,453 0.233,454 -0.683,455 -0.888,457 -1.703,458 -0.553,459 0.5,460 -0.374,461 1.963,462 -0.049,463 -1,464 -1.322,466 -2.347,467 -0.892,468 11.295,469 0.491,470 0.613,471 0.027,472 32,473 1.391,474 17,475 0.739,476 15,477 0.652,478 15.574,479 0.677,480 23.505,481 0.691,482 22.149,483 0.963,484 6.531,485 0.284,486 4.527,487 0.197,488 0.185,490 0.354,496 0.663,497 1.14,498 0.5,499 0.734,500 0.548,501 0.707,502 0.801,503 1.288,504 0.641,505 0.905,506 0.673,507 0.896,508 0.658,509 1.115,510 0.854,511 1.026,512 0.559,513 1.085,514 0.852,515 0.909,516 0.973,517 0.984,518 0.832,519 1.086,520 1.134,521 0.882,522 0.905,523 0.919,524 1.239,525 0.914,526 1.376,527 1.134,528 0.995,529 1.126,530 1.542,531 1.049,532 1.562,533 0.975,534 0.908,535 0.929,536 1.879,537 0.998,538 1.184,539 0.798,540 0.81,541 0.806,542 1.54,543 0.827,544 4.5,545 0.082,546 2.889,547 2,548 1.267,549 0.785,550 0.447,551 0.401,552 0.25,553 0.111,554 5841,555 23002,556 2.041,557 32.4,559 7,561 2,562 2,567 1.656,568 1.89,569 3.33,570 0.364,572 1,574 1,577 62.165,578 1.828,579 3.697,580 4.275,581 4.676,582 4.793,583 4.793,584 2.752,585 4.176,586 4.497,587 3.458,588 874.949,589 7.737,590 10213.4,591 1,592 1,594 1,595 172.974,596 1.478,597 4.443,598 0.18,599 0.007,600 0.088,601 0.063,602 0.051,603 0.03,604 0.017,605 0.017,606 0.013,607 0.007,608 0.47,609 0.33,610 1,611 0.636,612 108.655,613 -0.088,614 -0.043,615 -0.008,616 0.035,617 -0.059,618 0.043,619 -0.104,620 -0.219,621 -0.005,622 -0.079,623 -0.049,624 -0.077,625 0.222,626 -0.108,627 0.081,628 -0.087,629 0.231,630 -0.142,631 0.002,632 0.081,633 -0.075,634 -0.007,635 -0.036,636 -0.049,637 -0.149,638 0.075,639 -0.044,640 0.062,641 -0.146,642 0.109,643 -0.24,644 -0.166,645 -0.183,646 -0.202,647 -0.187,648 -0.157,649 -0.275,650 0.015,651 -0.135,652 -0.008,653 -0.263,654 -0.124,655 0.055,656 0.114,657 0.18,658 0.221,659 -0.058,660 0.197,661 2.21,662 4.735,663 0.696,664 18.836,665 1.03,666 1.114,667 1.516,668 2.297,669 0.748,670 3.258,671 3.584,672 3.85,673 3.989,674 4.143,675 4.127,676 4.19,677 4.29,678 4.382,679 4.369,680 6.008,681 0.729,682 348.2,683 3.258,684 4.796,685 5.645,686 6.518,687 7.387,688 8.266,689 9.145,690 10.03,691 10.914,692 11.803,693 8.8,695 1,698 1,703 1,709 7,710 1,714 4,716 12,728 1,734 2,735 34,737 15,738 1,739 25,741 36,742 16,743 11,744 3,745 3,746 4,748 3,749 3,750 2,762 15,763 1,767 3,772 2,776 4,779 1,780 1,783 11,784 5,785 2,786 7,787 2,792 3,797 1,798 2,809 1,814 1,816 2,827 2,834 2,838 1,843 3,848 2,851 23,858 1,860 2,873 2,874 5.9,877 2,881 12.167,882 6.152,883 5.056,884 1.871,886 2.381,887 1.35,888 1.001,889 4.55,890 9.189,891 3.555,892 4.143,893 4.691,894 5.094,895 5.51,896 5.493,897 5.725,898 6.095,899 6.447,900 6.648,901 0.857,902 32,903 8.464,905 3.671,906 8.068,907 15.548,909 12.571,911 2.568,912 59.056,916 105.94,917 96.306,918 52.807,919 78.297,920 50.29,923 96.306,924 234.527,925 52.807,927 2.106,928 65.392,929 124.409,930 31.038,932 82.398,933 78.297,934 105.94,935 149.113,936 50.29,937 78.297,939 105.94,940 50.29,943 38.211,944 70.592,945 118.607,947 105.94,948 103.097,949 174.603,952 105.94,953 30.83,954 65.476,955 36.022,956 145.373,957 105.94,958 103.097,959 174.603,961 0.587,962 0.348,963 0.168,964 0.087,965 17,966 8,967 0.139,968 5,970 1,971 3.597,972 175.993,974 16,975 100.042,981 15.841,982 6.605,983 3.332,985 103.097,986 11.785,987 3.894,991 2.433,993 36.022,994 383.64,995 34,1000 23.457,1004 -0.57,1007 35.025,1008 37.878,1009 0.359,1010 0.727,1011 0.84,1012 0.919,1013 0.942,1014 0.942,1015 4.787,1016 1.279,1017 5.638,1018 3.525,1019 4.263,1020 4.828,1021 0.781,1022 6.45,1023 4.172,1024 6.005,1025 1,1026 7.207,1027 2.971,1028 3.892,1029 4.635,1031 7.361,1032 3.747,1033 7.325,1034 0.691,1035 8.879,1036 2.136,1037 5.883,1038 7.011,1039 0.354,1040 10.534,1041 5.75,1042 8.684,1043 0.196,1044 10.612,1045 1.646,1046 6.365,1047 7.636,1049 12.33,1050 6.224,1051 10.079,1052 -0.054,1053 12.386,1054 0.448,1055 7.834,1056 9.484,1057 0.157,1058 15.047,1059 7.698,1060 11.499,1061 -0.491,1062 14.191,1063 -0.129,1064 8.698,1065 10.484,1067 17.214,1068 8.583,1069 12.939,1070 -0.683,1071 16.021,1072 -1.19,1073 9.973,1074 12.107,1075 0.069,1076 19.774,1077 9.864,1078 3.297,1079 -1,1080 17.87,1081 -1.703,1082 11.009,1083 13.294,1085 22.1,1086 10.929,1087 2.827,1088 11.621,1089 19.735,1090 -2.347,1091 12.213,1092 14.808,1093 0.03,1094 24.599,1095 12.145,1096 2.491,1097 8.322,1098 21.613,1099 4.157,1100 13.328,1101 16.094,1103 26.994,1104 13.286,1105 2.219,1106 7.099,1107 23.502,1108 3.868,1109 14.51,1110 17.554,1111 0.013,1112 29.467,1113 14.484,1114 1.613,1115 6.438,1116 25.4,1117 3.428,1118 15.66,1119 18.893,1121 31.894,1122 15.657,1123 1.58,1124 4.78,1125 27.306,1126 2.822,1127 16.838,1128 20.326,1129 0.006,1130 34.356,1131 16.852,1132 1.414,1133 4.496,1134 29.217,1135 2.189,1136 18.005,1137 21.696,1139 36.796,1140 18.039,1141 5702,1142 11429,1143 16.414,1144 25.449,1145 37.95,1146 40.288,1147 39.101,1148 37.543,1149 37.217,1150 49.508,1151 2.115,1152 106.964,1153 35.194,1154 5.596,1155 5.967,1156 6.752,1157 5.34,1158 5.297,1159 7.157,1160 1.315,1161 19.621,1162 5.322,1163 12.032,1164 1.518,1165 1.612,1166 1.564,1167 1.502,1168 1.489,1169 1.98,1170 0.085,1171 4.279,1172 1.408,1173 3.999,1174 4.023,1175 4.118,1176 3.903,1177 7.501,1178 3.905,1179 3.892,1180 3.915,1181 3.945,1182 3.81,1183 7.349,1184 3.82,1185 3.785,1186 3.808,1187 3.743,1188 3.664,1189 5.042,1190 3.679,1191 3.25,1192 3.308,1193 3.416,1194 3.097,1195 4.915,1196 3.089,1197 2.917,1198 2.995,1199 3.377,1200 2.791,1201 4.492,1202 2.764,1203 2.878,1204 2.925,1205 2.865,1206 2.735,1207 4.437,1208 2.715,1209 2.854,1210 2.921,1211 2.834,1212 2.615,1213 4.23,1214 2.661,1215 2.686,1216 2.726,1217 2.687,1218 2.483,1219 3.927,1220 2.49,1221 0.186,1222 0.159,1223 0.278,1224 0.172,1225 0.132,1226 4.651,1227 0.166,1228 3.967,1229 0.026,1230 6.95,1231 0.465,1232 4.305,1233 0.133,1234 3.297,1235 4.157,1236 0.657,1237 11.621,1238 3.322,1239 1.922,1240 1.901,1241 1.996,1242 2.055,1243 1.163,1244 2.036,1245 1.86,1246 1.838,1247 1.944,1248 1.958,1249 1.004,1250 1.966,1251 1.727,1252 1.707,1253 1.783,1254 1.866,1255 0.855,1256 1.847,1257 1.196,1258 1.143,1259 1.406,1260 1.419,1261 0.589,1262 1.425,1263 0.886,1264 0.824,1265 1.181,1266 1.125,1267 0.218,1268 1.107,1269 0.867,1270 0.821,1271 1.085,1272 1.062,1273 0.163,1274 1.086,1275 0.783,1276 0.706,1277 0.989,1278 1.013,1280 1.055,1281 0.591,1282 0.541,1283 0.753,1284 0.805,1286 0.816,1287 3.932,1289 5.293,1291 6.87,1293 8.533,1295 10.237,1298 11.816,1303 0.354,1305 5.887,1314 24.783,1315 62.165,1316 125.713,1317 145.364,1318 158.974,1319 162.974,1320 162.974,1321 45.456,1322 6.808,1323 71.09,1324 71.09,1325 16,1326 12.334,1327 4,1328 3.322,1329 36.871,1330 81,1331 77,1332 0.218,1333 160.762,1334 283.72,1335 384.02,1336 7708,1337 5.9,1338 16.397,1339 0.713,1340 0.577,1341 17.397,1342 13.28,1343 11.059,1344 0.442,1345 0.3,1346 6.72,1347 10.161,1348 6.532,1349 5.375,1350 11.636,1351 7.498,1352 9.997,1353 0.286,1354 0.162,1355 10.738,1356 5.686,1357 8.675,1358 0.189,1359 0.088,1360 9.59,1361 4.052,1362 6.327,1363 0.119,1364 0.044,1365 6.728,1366 2.357,1367 4.904,1368 0.079,1369 0.025,1370 5.284,1371 1.547,1372 0.343,1373 75.219,1374 0.247,1375 22.772,1376 0.594,1377 120,1378 410.189,1379 160.408,1380 457.112,1381 591.68,1382 422,1383 141,1384 376.055,1385 178.958,1386 401.428,1387 587.63,1388 377,1389 5.1}
{0 CHEMBL1976040,1 1.552,2 14.216,3 4.158,4 17.291,5 145.129,6 7.256,7 0.439,8 4.337,9 4.472,10 3.887,11 3.815,12 5.424,13 3.805,14 4.885,15 5.084,16 4.289,17 4.207,18 5.94,19 4.19,20 5.15,21 5.357,22 4.376,23 4.389,24 6.23,25 4.343,26 5.274,27 5.527,28 4.336,29 4.429,30 6.293,31 4.347,32 5.201,33 5.446,34 4.317,35 4.403,36 6.242,37 4.326,38 5.145,39 5.378,40 4.261,41 4.35,42 6.2,43 4.278,44 5.076,45 5.304,46 4.223,47 4.295,48 6.144,49 4.233,50 5.094,51 5.323,52 4.145,53 4.27,54 6.221,55 4.186,56 0.06,57 1.101,58 14.88,59 5.616,60 14.615,61 8.019,62 0.37,63 1.751,64 28.335,65 8.792,66 30.794,67 13.229,68 0.549,69 2.126,70 38.034,71 11.456,72 58.412,73 17.149,74 0.643,75 2.236,76 45.12,77 13.794,78 77.886,79 21.044,80 0.502,81 2.123,82 41.241,83 13.202,84 67.185,85 20.019,86 0.542,87 2.035,88 38.708,89 11.874,90 63.653,91 18.014,92 0.471,93 1.909,94 35.892,95 10.924,96 55.686,97 16.437,98 0.468,99 1.859,100 36.821,101 11.711,102 80.177,103 17.36,104 42,105 60,106 0.243,107 0.599,108 0.77,109 0.824,110 0.833,111 0.833,112 3.642,113 0.903,114 -4.85,115 -4.76,116 -4.47,119 39.1,120 2,124 1,125 5,130 1,134 1,135 1,142 7,143 1,144 2,145 1,146 1,147 2,150 1,158 1,166 1,172 5,174 4,175 11,178 2,180 4,183 4,187 4,188 9,191 1,193 3,196 4,199 5,200 10,203 1,205 2,208 4,212 1,213 14,216 3,218 1,221 5,224 1,225 12,228 3,230 1,233 5,237 2,238 9,241 1,243 3,246 6,250 9,253 2,255 3,258 5,263 1,264 7,267 1,268 1,269 3,272 8,276 2766,277 24.72,278 24.72,279 24.72,280 24.72,281 24.72,282 22.464,283 44.731,284 14.313,285 25.336,286 20.21,287 20.21,288 20.21,289 20.21,290 20.21,291 16.658,292 78.627,293 6.723,294 21.249,295 4.556,296 2.278,297 1.187,298 0.844,299 0.786,300 0.786,301 4.345,306 1,307 1142,308 3.873,311 89.043,312 478.045,315 160.564,319 2.156,320 35.923,323 0.75,324 0.67,325 0.83,326 0.9,327 0.5,328 0.83,329 1,330 0.78,331 80,332 526,333 4.626,334 3.83,335 7.15,336 4.356,337 3.4,338 4.169,339 1.081,340 12.424,341 3.25,342 4.433,343 3.701,344 7.091,345 4.256,346 3.296,347 3.851,348 0.8,349 11.671,350 3.155,351 4.155,352 3.141,353 6.148,354 3.837,355 2.891,356 3.7,357 0.8,358 9.076,359 2.739,360 3.908,361 3.037,362 6.023,363 3.568,364 2.64,365 3.243,366 0.765,367 8.448,368 2.456,369 3.798,370 2.822,371 5.747,372 3.464,373 2.501,374 3.095,375 0.473,376 7.834,377 2.397,378 3.604,379 2.63,380 5.488,381 3.286,382 2.349,383 2.866,384 0.4,385 7.051,386 2.195,387 3.338,388 2.439,389 5.076,390 3.134,391 2.196,392 2.404,393 0.4,394 6.127,395 2.054,396 3.196,397 2.221,398 5.025,399 2.879,400 1.92,401 2.355,403 5.822,404 1.84,405 3.179,406 2.06,407 4.929,408 2.789,409 1.837,410 2.326,412 5.481,413 1.737,414 2.812,415 1.741,416 4.475,417 2.386,418 1.426,419 1.901,421 4.117,422 1.365,423 2.678,424 1.583,425 4.289,426 2.35,427 1.397,428 1.641,430 3.961,431 1.326,432 2.61,433 1.405,434 3.7,435 2.144,436 1.153,437 1.601,439 2.557,440 1.138,441 2.57,442 1.193,443 3.556,444 2.072,445 1.107,446 1.576,448 2.416,449 1.064,450 2.5,451 1.146,452 3.436,453 2,454 1,455 1.5,457 2.275,458 1,459 2.301,460 1.127,461 3.414,462 1.967,463 1,464 1.124,466 2.275,467 0.965,468 17.367,469 0.469,470 1.103,471 0.03,472 47.5,473 1.284,474 22,475 0.595,476 25.5,477 0.689,478 34.895,479 0.943,480 40.233,481 0.583,482 41.588,483 1.124,484 9.323,485 0.252,486 8.417,487 0.227,488 0.154,489 0.029,490 0.322,496 0.859,497 1.565,498 0.809,499 1.199,500 0.804,501 1.027,502 0.908,503 1.141,504 0.802,505 0.918,506 0.608,507 0.842,508 1.233,509 1.199,510 1.058,511 1.054,512 1.103,513 1.032,514 0.938,515 0.973,516 0.915,517 0.922,518 0.914,519 0.913,520 0.836,521 1.028,522 0.863,523 0.947,524 0.766,525 0.91,526 1.048,527 1.059,528 1.013,529 0.983,530 1,531 0.985,532 1.154,533 1.018,534 1.036,535 0.976,536 1.055,537 0.975,538 1.121,539 1.139,540 1.092,541 1.149,542 1.073,543 1.118,544 8.5,545 0.284,546 4.667,547 3.424,548 2.108,549 1.601,550 1.164,551 1.037,552 0.502,553 0.205,554 21514,555 50929,556 2.077,557 46.4,559 23,561 1,562 2,564 6,567 1.781,568 1.922,569 3.731,570 0.189,577 107.106,578 1.552,579 3.831,580 4.921,581 5.264,582 5.322,583 5.322,584 3.213,585 4.811,586 5.176,587 3.942,588 2625.15,589 9.114,590 42616.4,595 421.488,596 1.599,597 5.125,598 0.207,599 0.009,600 0.078,601 0.054,602 0.035,603 0.027,604 0.021,605 0.019,606 0.01,607 0.005,608 0.465,609 0.17,610 0.63,611 0.935,612 203.86,613 -0.009,614 -0.306,615 0.068,616 -0.114,617 -0.113,618 -0.032,619 0.099,620 0.03,621 0.148,622 0.061,623 0.1,624 0.104,625 -0.055,626 -0.093,627 -0.084,628 -0.082,629 -0.039,630 -0.089,631 0.057,632 0.028,633 0.075,634 0.047,635 0.064,636 0.061,637 0.069,638 -0.012,639 0.109,640 0.047,641 0.108,642 0.08,643 -0.028,644 -0.007,645 -0.037,646 -0.006,647 -0.009,648 -0.02,649 -0.088,650 0.053,651 -0.06,652 -0.004,653 -0.039,654 -0.018,655 -0.028,656 -0.119,657 -0.113,658 -0.155,659 0.119,660 -0.142,661 2.388,662 6.181,663 0.73,664 45.886,665 1.001,666 1.136,667 3.621,668 13.11,669 0.653,670 3.738,671 4.111,672 4.394,673 4.691,674 4.984,675 5.112,676 5.303,677 5.455,678 5.572,679 5.656,680 8.18,681 0.622,682 500.67,683 3.738,684 5.313,685 6.18,686 7.086,687 7.976,688 8.888,689 9.789,690 10.703,691 11.611,692 12.529,693 11.6,696 1,699 1,700 1,701 2,703 3,709 8,710 3,714 7,716 18,728 1,730 1,735 69,737 20,738 1,739 41,741 73,742 27,743 15,744 2,745 4,746 1,748 5,749 6,754 2,762 18,763 9,764 1,767 2,768 1,772 1,774 1,776 1,783 32,784 10,785 2,786 10,792 8,795 1,797 0.8,798 2,801 1,809 1,810 1,815 1,816 4,819 1,833 1,834 1,839 1,841 1,843 4,847 3,851 37,857 1,858 5,860 1,864 4,865 1,874 2.9,875 1,877 1,881 19.25,882 13.267,883 7.944,884 4.022,886 3.32,887 1.382,888 0.957,889 6.97,890 12.012,891 3.97,892 4.538,893 5.08,894 5.64,895 6.21,896 6.486,897 6.916,898 7.315,899 7.686,900 8.044,901 1,902 63,903 13.722,905 5.914,906 7.705,907 26.215,909 21.67,911 2.205,912 81.583,916 353.133,917 159.915,918 80.62,920 67.828,923 159.915,924 420.961,925 80.62,926 26.047,927 29.297,928 118.493,929 91.977,930 47.764,931 6.555,932 341.362,934 353.133,935 240.535,936 67.828,939 282.506,940 95.772,941 42.683,943 69.021,944 111.681,945 59.833,947 353.133,948 148.448,949 159.915,952 353.133,953 33.244,954 123.156,955 18.011,956 133.952,957 353.133,958 148.448,959 159.915,961 0.592,962 0.342,963 0.185,964 0.111,965 30,966 14,967 0.096,968 7,969 1,970 1.074,971 4.609,972 371.451,973 0.074,974 27,975 182.75,981 25.305,982 10.191,983 5.22,985 148.448,986 15.049,987 13.711,991 4.129,993 60.694,994 661.496,995 52,996 3.789,1000 13.181,1002 1.644,1004 -0.242,1007 69.072,1008 78.388,1009 0.254,1010 0.627,1011 0.806,1012 0.862,1013 0.871,1014 0.871,1015 5.25,1016 1.92,1017 6.209,1018 6.127,1019 4.796,1020 5.226,1021 2.017,1022 7.084,1023 4.698,1024 6.46,1025 1.837,1026 7.813,1027 5.822,1028 4.575,1029 5.047,1030 0.57,1031 8.233,1032 4.415,1033 7.777,1034 1.426,1035 9.526,1036 5.481,1037 6.488,1038 7.346,1039 1.712,1040 11.305,1041 6.289,1042 9.127,1043 1.397,1044 11.303,1045 4.117,1046 7.066,1047 7.935,1048 0.479,1049 13.273,1050 6.813,1051 10.511,1052 1.153,1053 13.122,1054 3.961,1055 8.504,1056 9.761,1057 1.643,1058 15.932,1059 8.211,1060 11.918,1061 1.107,1062 14.971,1063 2.557,1064 9.43,1065 10.715,1066 0.346,1067 18.224,1068 9.091,1069 13.343,1070 1,1071 16.842,1072 2.416,1073 10.701,1074 12.333,1075 1.669,1076 20.763,1077 10.32,1078 3.4,1079 1,1080 18.729,1081 2.275,1082 11.782,1083 13.48,1084 0.237,1085 23.18,1086 11.358,1087 3.296,1088 12.424,1089 20.631,1090 2.275,1091 12.997,1092 14.993,1093 1.742,1094 25.686,1095 12.531,1096 2.891,1097 11.671,1098 22.543,1099 4.169,1100 14.146,1101 16.248,1102 0.158,1103 28.153,1104 13.636,1105 2.64,1106 9.076,1107 24.464,1108 3.851,1109 15.346,1110 17.708,1111 1.842,1112 30.652,1113 14.794,1114 2.501,1115 8.448,1116 26.392,1117 3.7,1118 16.525,1119 19.026,1120 0.104,1121 33.139,1122 15.93,1123 2.349,1124 7.834,1125 28.327,1126 3.243,1127 17.724,1128 20.458,1129 1.958,1130 35.638,1131 17.087,1132 2.196,1133 7.051,1134 30.266,1135 3.095,1136 18.917,1137 21.813,1138 0.068,1139 38.134,1140 18.237,1141 20325,1142 31542,1143 27.046,1144 45.091,1145 63.58,1146 63.616,1147 64.455,1148 62.372,1149 62.255,1150 77.179,1151 9.437,1152 187.771,1153 59.307,1154 5.626,1155 5.83,1156 6.908,1157 5.433,1158 5.4,1159 7.169,1160 2.162,1161 19.995,1162 5.25,1163 20.662,1164 1.551,1165 1.552,1166 1.572,1167 1.521,1168 1.518,1169 1.882,1170 0.23,1171 4.58,1172 1.447,1173 4.049,1174 4.096,1175 4.019,1176 3.9,1177 7.428,1178 3.919,1179 3.94,1180 3.987,1181 3.88,1182 3.825,1183 6.45,1184 3.835,1185 3.848,1186 3.89,1187 3.798,1188 3.708,1189 5.012,1190 3.728,1191 3.736,1192 3.799,1193 3.625,1194 3.558,1195 4.824,1196 3.564,1197 3.571,1198 3.636,1199 3.464,1200 3.427,1201 4.725,1202 3.421,1203 3.507,1204 3.563,1205 3.37,1206 3.358,1207 4.705,1208 3.352,1209 3.284,1210 3.354,1211 3.204,1212 3.041,1213 4.353,1214 3.078,1215 3.167,1216 3.257,1217 3.015,1218 2.941,1219 4.105,1220 2.923,1221 0.113,1222 0.093,1223 0.174,1224 0.106,1225 0.083,1226 4.626,1227 0.102,1228 3.83,1229 0.026,1230 7.15,1231 0.303,1232 4.356,1233 0.079,1234 3.4,1235 4.169,1236 1.081,1237 12.424,1238 3.25,1239 1.926,1240 1.889,1241 2.048,1242 2.072,1243 1.304,1244 2.068,1245 1.878,1246 1.843,1247 1.993,1248 2.026,1249 1.121,1250 2.015,1251 1.744,1252 1.698,1253 1.914,1254 1.948,1255 1.053,1256 1.935,1257 1.684,1258 1.626,1259 1.835,1260 1.848,1261 0.928,1262 1.84,1263 1.613,1264 1.552,1265 1.782,1266 1.817,1267 0.861,1268 1.818,1269 1.497,1270 1.442,1271 1.727,1272 1.682,1273 0.825,1274 1.704,1275 1.193,1276 1.118,1277 1.538,1278 1.471,1279 0.769,1280 1.493,1281 1.153,1282 1.064,1283 1.513,1284 1.416,1285 0.641,1286 1.429,1287 4.419,1289 5.778,1290 2.398,1291 7.328,1292 4.949,1293 8.963,1294 7.222,1295 10.643,1297 5.484,1302 10.477,1303 4.374,1305 3.254,1309 7.871,1310 -1.138,1314 42.922,1315 107.106,1316 264.317,1317 339.572,1318 363.224,1319 367.224,1320 367.224,1321 70.096,1322 8.692,1323 104.34,1324 104.34,1325 29,1326 13.041,1327 4.392,1328 3.585,1329 56.822,1330 178,1331 222,1332 0.152,1333 262.942,1334 457.7,1335 633.339,1336 81189,1338 26.156,1339 0.707,1340 0.579,1341 26.156,1342 21.425,1343 17.741,1344 0.433,1345 0.301,1346 12.144,1347 16.973,1348 11.769,1349 9.785,1350 17.741,1351 12.347,1352 16.922,1353 0.282,1354 0.164,1355 16.922,1356 9.821,1357 13.794,1358 0.172,1359 0.082,1360 13.794,1361 6.548,1362 11.59,1363 0.107,1364 0.041,1365 11.59,1366 4.44,1367 10.043,1368 0.069,1369 0.022,1370 10.043,1371 3.164,1372 0.242,1373 111.509,1374 0.192,1375 33.735,1376 0.412,1377 202,1378 551.734,1379 225.133,1380 538.195,1381 750.78,1382 504,1383 241,1384 577.171,1385 266.662,1386 582.689,1387 860.34,1388 547,1389 5.5}
{0 CHEMBL1976090,1 1.772,2 5.067,3 0.407,4 0.166,5 60.671,6 10.394,7 0.882,8 3.258,9 3.381,10 3.16,11 2.848,12 4.588,13 2.85,14 3.661,15 3.798,16 3.597,17 3.246,18 4.988,19 3.221,20 3.715,21 3.837,22 3.666,23 3.263,24 5.015,25 3.242,26 3.735,27 3.888,28 3.46,29 3.15,30 5.101,31 3.088,32 3.598,33 3.834,34 2.784,35 2.739,36 4.778,37 2.658,38 3.129,39 3.369,40 2.394,41 2.187,42 4.598,43 2.181,44 2.86,45 3.192,46 0.847,47 1.647,48 3.829,49 1.432,50 1.975,51 2.417,52 0.048,53 0.7,54 2.079,55 0.396,56 0.102,57 0.429,58 2.133,59 1.449,60 11.267,61 0.998,62 0.189,63 0.646,64 4.682,65 2.528,66 17.246,67 2.167,68 0.154,69 0.689,70 4.574,71 2.522,72 12.543,73 1.898,74 0.202,75 0.647,76 8.225,77 3.342,78 19.365,79 2.881,80 0.211,81 0.457,82 9.659,83 3.06,84 18.682,85 2.987,86 0.164,87 0.284,88 2.609,89 1.101,90 17.741,91 1.055,92 0.144,93 0.153,94 3.994,95 1.085,96 16.96,97 1.072,98 0.058,99 0.033,100 4.273,101 0.938,102 6.889,103 1.52,104 5,105 25,106 0.359,107 0.659,108 0.736,109 0.794,110 0.852,111 0.852,112 2.8,113 0.879,114 -2.2,115 -2.25,116 -2.22,119 38.1,143 1,146 1,147 2,148 2,152 1,161 1,163 2,164 2,165 2,174 2,175 4,177 2,178 2,180 1,183 1,185 1,188 2,193 1,198 1,199 2,200 2,202 3,203 3,205 2,210 2,212 1,215 1,216 1,224 1,227 2,228 2,229 1,232 2,236 1,276 158,277 10.207,278 10.207,279 10.207,280 10.207,281 10.207,282 8.427,283 6.325,284 5.878,285 10.672,286 8.383,287 8.383,288 8.383,289 8.383,290 8.383,291 5.748,292 5,293 2.757,294 9.169,295 2.62,296 1.143,297 0.762,298 0.476,299 0.19,300 0.19,301 3.47,305 1,306 1,307 166,308 1.732,311 16.735,312 49.463,315 69.685,319 0.747,320 15.276,323 1,324 0.83,325 1,326 0.4,328 1,329 1,330 0.75,331 33,332 76,333 4.786,334 3.321,335 6.972,336 4.24,337 3.303,338 4.893,340 11.831,341 3.097,342 4.05,343 2.681,344 6.08,345 3.548,346 2.613,347 3.731,349 8.547,350 2.432,351 3.435,352 2.03,353 5.136,354 2.84,355 1.971,356 2.872,358 5.931,359 1.718,360 3.282,361 1.916,362 4.925,363 2.784,364 1.859,365 2.602,367 5.244,368 1.695,369 2.906,370 1.421,371 4.147,372 2.308,373 1.414,374 2.105,376 3.468,377 1.258,378 2.691,379 1.222,380 3.781,381 2.126,382 1.207,383 1.782,385 2.907,386 1.105,387 2.083,388 0.734,389 3.261,390 1.503,391 0.657,392 0.913,394 1.638,395 0.546,396 1.165,397 -0.073,398 2.48,399 0.7,400 -0.204,401 -0.265,403 -0.472,404 -0.184,405 1.021,406 -0.265,407 2.356,408 0.523,409 -0.369,410 -0.491,412 -0.849,413 -0.325,414 0.67,415 -0.787,416 2.252,417 0.103,418 -0.804,419 -1.18,421 -2.197,422 -0.718,423 0.38,424 -1.014,425 2.185,426 -0.177,427 -1.07,428 -1.5,430 -3.005,431 -0.95,432 -0.058,433 -1.279,434 1.698,435 -0.454,436 -1.377,437 -1.86,439 -3.502,440 -1.268,441 -0.086,442 -1.332,443 1.332,444 -0.489,445 -1.414,446 -1.951,448 -3.742,449 -1.287,450 -0.4,451 -1.87,452 1.251,453 -0.896,454 -1.877,455 -2.798,457 -5.689,458 -1.536,459 -0.425,460 -1.905,461 1.208,462 -1.064,463 -1.91,464 -2.851,466 -5.998,467 -1.805,468 7.233,469 0.482,470 0.401,471 0.027,472 24,473 1.6,474 13,475 0.867,476 11,477 0.733,478 8.013,479 0.534,480 14.967,481 0.713,482 13.098,483 0.873,484 4.514,485 0.301,486 2.757,487 0.184,488 0.111,490 0.415,496 1.285,497 1.145,498 0.698,499 0.637,500 1.397,501 0.562,502 0.741,503 0.734,504 0.708,505 0.652,506 0.633,507 0.523,508 1.046,509 1.451,510 0.858,511 1.128,512 0.979,513 0.869,514 0.657,515 1.209,516 1.412,517 1.592,518 0.86,519 1.366,520 1.082,521 1.114,522 1.38,523 1.344,524 0.835,525 1.388,526 1.146,527 0.694,528 0.851,529 0.749,530 1.076,531 1.28,532 1.946,533 0.409,534 1.238,535 0.601,536 2.307,537 1.372,544 2.5,546 2,547 1.667,548 0.987,549 0.264,550 0.12,554 1489,555 5302,556 2.145,557 28.6,561 2,562 4,567 1.539,568 2,569 2.454,570 2.415,577 37.219,578 1.772,579 3.249,580 3.63,581 3.916,582 4.202,583 4.202,584 1.566,585 3.507,586 3.885,587 2.468,588 259.172,589 6.546,590 2088.11,592 1,595 92.239,596 1.429,597 3.837,598 0.147,600 0.08,601 0.067,602 0.049,603 0.024,604 0.017,608 0.384,609 0.5,610 1,611 0.648,612 56.025,613 -0.461,614 -0.078,615 -0.02,616 0.19,617 -0.485,618 0.168,619 0.114,620 0.338,621 0.154,622 0.307,623 0.097,624 0.3,625 -0.219,626 -0.39,627 0.075,628 -0.124,629 -0.2,630 -0.061,631 0.248,632 -0.181,633 -0.284,634 -0.478,635 0.113,636 -0.455,637 -0.072,638 -0.271,639 -0.303,640 -0.353,641 0.091,642 -0.287,643 0.06,644 0.187,645 -0.233,646 -0.151,647 0.209,648 -0.435,649 -0.728,650 0.272,651 -0.268,652 0.203,653 -0.914,654 -0.127,655 1.104,656 0.271,657 1.685,658 1.269,659 1.106,660 2.167,661 1.246,662 1.771,663 0.867,664 6.569,665 1.033,666 1.139,667 0.974,668 0.948,669 0.747,670 2.89,671 3.258,672 3.611,673 3.951,674 4.174,675 4.234,676 4.263,677 4.331,678 4.06,679 3.807,680 3.365,681 0.729,682 218.27,683 2.89,684 4.443,685 5.333,686 6.248,687 7.159,688 8.081,689 8.998,690 9.922,691 10.84,692 11.765,693 28.6,697 2,703 4,708 4,709 2,710 4,713 1,714 2,716 15,727 2,735 21,737 15,739 17,741 23,742 8,743 8,748 3,749 6,762 8,780 1,783 6,784 6,785 4,786 7,787 1,792 6,797 0.333,810 2,815 1,816 2,819 2,843 1,845 1,851 15,852 2,869 1,881 7.5,882 3.8,883 3.222,884 1.029,886 3.261,887 1.511,888 1.091,889 1.73,890 9.648,891 3.239,892 3.994,893 4.751,894 5.497,895 6.124,896 6.558,897 7.005,898 7.47,899 7.557,900 7.722,901 0.5,902 25,903 5.451,904 -0.001,905 2.372,906 7.889,907 10.11,909 8.341,911 2.389,912 35.833,913 0.002,916 23.542,917 58.951,918 132.936,922 31.278,923 27.673,924 23.542,925 132.936,928 65.794,929 91.001,930 21.954,931 5.402,932 31.278,934 23.542,935 160.609,937 31.278,939 23.542,943 19.698,944 73.769,945 67.142,946 31.278,947 23.542,948 132.936,949 58.951,952 23.542,953 41.713,954 17.237,956 132.936,957 23.542,958 132.936,959 58.951,961 0.593,962 0.366,963 0.213,964 0.117,965 15,966 6,969 2,970 1.308,971 2.69,972 108.662,973 0.308,974 13,975 58.603,977 1,981 8.738,982 2.971,983 1.147,984 3.066,985 132.936,986 2.84,987 16.127,990 1.421,991 0.867,993 65.794,994 215.429,995 24.5,1007 21.687,1008 23.91,1009 0.404,1010 0.74,1011 0.827,1012 0.892,1013 0.957,1014 0.957,1015 4.463,1016 -0.204,1017 5.342,1018 1.638,1019 3.932,1020 4.677,1022 6.232,1023 3.761,1024 5.732,1025 -0.369,1026 6.948,1027 -0.472,1028 3.611,1029 4.691,1031 7.29,1032 3.405,1033 7.087,1034 -0.804,1035 8.659,1036 -0.849,1037 5.587,1038 7.119,1040 10.462,1041 5.283,1042 8.487,1043 -1.07,1044 10.432,1045 -2.197,1046 6.111,1047 8.005,1049 12.382,1050 5.772,1051 9.923,1052 -1.377,1053 12.245,1054 -3.005,1055 7.583,1056 9.903,1058 15.079,1059 7.165,1060 11.386,1061 -1.414,1062 14.086,1063 -3.502,1064 8.491,1065 11.19,1067 17.338,1068 8.026,1069 12.871,1070 -1.877,1071 15.947,1072 -3.742,1073 9.775,1074 12.886,1076 19.88,1077 9.241,1078 3.303,1079 -1.91,1080 17.824,1081 -5.689,1082 10.849,1083 14.349,1085 22.268,1086 10.259,1087 2.613,1088 11.831,1089 19.712,1090 -5.998,1091 12.067,1092 15.97,1094 24.76,1095 11.412,1096 1.971,1097 8.547,1098 21.61,1099 4.893,1100 13.209,1101 17.505,1103 27.198,1104 12.493,1105 1.859,1106 5.931,1107 23.516,1108 3.731,1109 14.405,1110 19.102,1112 29.674,1113 13.626,1114 1.414,1115 5.244,1116 25.427,1117 2.872,1118 15.576,1119 20.667,1121 32.131,1122 14.733,1123 1.207,1124 3.468,1125 27.344,1126 2.602,1127 16.767,1128 22.255,1130 34.602,1131 15.861,1132 0.657,1133 2.907,1134 29.264,1135 2.105,1136 17.95,1137 23.833,1139 37.067,1140 16.98,1141 1486,1142 2896,1143 11.444,1144 15.682,1145 26.289,1146 25.992,1147 27.428,1148 26.016,1149 26.048,1150 37.795,1152 79.133,1153 23.7,1154 5.286,1155 5.321,1156 6.508,1157 5.363,1158 5.303,1159 7.893,1161 19.176,1162 4.998,1163 5.871,1164 1.546,1165 1.529,1166 1.613,1167 1.53,1168 1.532,1169 2.223,1171 4.655,1172 1.394,1173 4.139,1174 4.158,1175 4.391,1176 4.115,1177 5.289,1178 4.076,1179 3.611,1180 3.683,1181 3.575,1182 3.387,1183 5.13,1184 3.427,1185 3.065,1186 3.147,1187 3.358,1188 2.954,1189 4.77,1190 2.894,1191 3.013,1192 3.12,1193 2.919,1194 2.751,1195 4.646,1196 2.782,1197 2.919,1198 3.015,1199 2.779,1200 2.587,1201 4.057,1202 2.621,1203 2.356,1204 2.451,1205 2.37,1206 2.122,1207 3.741,1208 2.095,1209 2.214,1210 2.296,1211 2.113,1212 1.994,1213 3.489,1214 1.984,1215 1.955,1216 2.062,1217 1.792,1218 1.591,1219 2.911,1220 1.621,1221 0.282,1222 0.195,1223 0.41,1224 0.249,1225 0.194,1226 4.786,1227 0.288,1228 3.321,1230 6.972,1231 0.696,1232 4.24,1233 0.182,1234 3.303,1235 4.893,1237 11.831,1238 3.097,1239 1.864,1240 1.831,1241 1.896,1242 2.021,1243 0.991,1244 1.988,1245 1.693,1246 1.674,1247 1.67,1248 1.849,1249 0.788,1250 1.836,1251 0.957,1252 0.907,1253 1.183,1254 1.277,1255 0.061,1256 1.269,1257 0.915,1258 0.827,1259 1.172,1260 1.274,1261 0.025,1262 1.259,1263 0.722,1264 0.632,1265 0.959,1266 0.955,1268 0.961,1269 0.694,1270 0.585,1271 0.759,1272 0.864,1274 0.942,1275 0.012,1277 0.209,1278 0.357,1280 0.33,1283 0.085,1284 0.217,1286 0.191,1287 3.555,1289 4.905,1290 2.398,1291 6.472,1292 4.844,1293 8.141,1294 7.081,1295 9.858,1301 11.512,1314 15.316,1315 37.219,1316 68.239,1317 76.239,1318 82.239,1319 88.239,1320 88.239,1321 15.334,1322 6.387,1323 103.6,1324 131.84,1325 17,1326 12.271,1327 4,1328 3.087,1329 19.736,1330 32,1331 22,1332 0.351,1333 99.661,1334 145.85,1335 234.934,1336 3975,1338 10.414,1339 0.694,1340 0.555,1341 10.767,1342 8.323,1343 7.271,1344 0.428,1345 0.293,1346 4.151,1347 6.506,1348 4.018,1349 3.315,1350 7.679,1351 4.979,1352 6.717,1353 0.269,1354 0.159,1355 7.333,1356 3.977,1357 5.983,1358 0.166,1359 0.089,1360 6.861,1361 3.218,1362 5.358,1363 0.105,1364 0.048,1365 6.346,1366 2.45,1367 4.319,1368 0.067,1369 0.025,1370 5.232,1371 1.594,1372 0.497,1373 50.101,1374 0.296,1375 14.464,1376 1.141,1377 84,1378 268.065,1379 119.338,1380 286.93,1381 399.94,1382 268,1383 103,1384 290.292,1385 138.048,1386 311.503,1387 461.42,1388 292,1389 5.5}
{0 CHEMBL1976093,1 1.519,2 11.548,3 3.976,4 15.812,5 120.439,6 7.361,7 0.647,8 4.138,9 4.276,10 3.7,11 3.64,12 5.25,13 3.626,14 4.67,15 4.879,16 4.071,17 4.029,18 5.731,19 4.004,20 4.89,21 5.089,22 4.112,23 4.202,24 5.939,25 4.13,26 5.121,27 5.423,28 4.096,29 4.22,30 5.992,31 4.129,32 4.923,33 5.135,34 4.119,35 4.23,36 5.928,37 4.15,38 5.117,39 5.409,40 4.121,41 4.228,42 6.094,43 4.138,44 4.872,45 5.099,46 4.018,47 4.115,48 5.916,49 4.033,50 4.844,51 5.107,52 3.839,53 3.959,54 5.902,55 3.869,56 0.014,57 0.975,58 11.762,59 4.658,60 8.675,61 6.57,62 0.287,63 1.521,64 22.658,65 7.455,66 28.935,67 10.821,68 0.234,69 1.842,70 27.893,71 10.241,72 37.537,73 14.444,74 0.569,75 1.914,76 40.875,77 11.606,78 59.607,79 18.21,80 0.195,81 1.809,82 28.888,83 10.359,84 26.944,85 15.309,86 0.669,87 1.949,88 40.063,89 11.302,90 69.631,91 17.817,92 0.234,93 1.729,94 28.393,95 9.712,96 32.81,97 14.396,98 0.447,99 1.611,100 29.465,101 8.427,102 56.839,103 12.797,104 31,105 49,106 0.247,107 0.592,108 0.768,109 0.814,110 0.814,111 0.814,112 3.472,113 0.893,114 -4.39,115 -4.32,116 -4.08,119 40.4,120 2,123 1,124 2,125 2,142 5,143 1,144 1,145 3,146 2,150 1,151 1,152 1,161 1,172 6,174 2,175 4,178 2,180 1,183 5,187 3,188 6,193 2,196 2,199 1,200 8,203 1,205 1,208 1,212 1,213 9,216 1,221 2,224 4,225 6,228 1,230 1,233 3,238 5,243 2,246 2,249 1,250 6,253 1,255 2,258 1,263 1,264 2,272 4,276 1734,277 20.516,278 20.516,279 20.516,280 20.516,281 20.516,282 17.985,283 14.469,284 12.027,285 21.078,286 16.824,287 16.824,288 16.824,289 16.824,290 16.824,291 13.039,292 21.18,293 5.747,294 17.78,295 4.314,296 2.191,297 1.112,298 0.825,299 0.825,300 0.825,301 4.165,305 1,306 1,307 765,308 4,311 65.531,312 263.107,315 127.033,319 1.692,320 26.21,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 67,332 358,333 4.728,334 3.323,335 7.018,336 4.27,337 3.319,338 4.662,339 0.8,340 12.053,341 3.179,342 4.217,343 3.262,344 6.734,345 4.199,346 3.209,347 3.7,348 0.4,349 11.007,350 3.159,351 4.056,352 2.908,353 5.992,354 3.622,355 2.657,356 3.665,358 8.436,359 2.564,360 4.032,361 2.698,362 5.786,363 3.538,364 2.607,365 3.21,367 8.004,368 2.422,369 3.643,370 2.488,371 5.283,372 3.195,373 2.26,374 3.065,376 6.608,377 2.101,378 3.442,379 2.382,380 5.031,381 3.046,382 2.111,383 2.757,385 6.005,386 1.962,387 3.027,388 2.205,389 4.601,390 2.917,391 2.007,392 2.27,394 4.824,395 1.824,396 3.017,397 1.571,398 4.552,399 2.469,400 1.528,401 2.197,403 4.389,404 1.435,405 2.97,406 1.544,407 4.411,408 2.462,409 1.517,410 2.015,412 3.982,413 1.429,414 2.701,415 1.26,416 3.61,417 2.157,418 1.229,419 1.795,421 2.859,422 1.137,423 2.603,424 1.168,425 3.553,426 2.065,427 1.124,428 1.652,430 2.634,431 1.053,432 2.5,433 1,434 3.414,435 2,436 1,437 1.5,439 2.275,440 1,441 1.988,442 0.853,443 3.404,444 1.57,445 0.646,446 0.757,448 1.566,449 0.596,450 1.766,451 0.518,452 3.349,453 1.439,454 0.504,455 0.692,457 1.316,458 0.47,459 1.182,460 0.329,461 2.749,462 0.776,463 -0.143,464 -0.18,466 -0.325,467 -0.127,468 14.586,469 0.471,470 0.937,471 0.03,472 41.75,473 1.347,474 20.5,475 0.661,476 21.25,477 0.685,478 26.973,479 0.87,480 33.414,481 0.586,482 32.871,483 1.06,484 8.161,485 0.263,486 6.66,487 0.215,488 0.157,489 0.034,490 0.295,494 1,496 0.737,497 1.427,498 0.775,499 1.199,500 0.611,501 1.027,502 0.876,503 0.912,504 0.774,505 0.774,506 0.563,507 0.748,508 0.923,509 1.285,510 1.099,511 1.316,512 0.908,513 1.257,514 0.891,515 0.657,516 0.736,517 0.556,518 0.649,519 0.595,520 0.637,521 1.158,522 1.002,523 1.244,524 0.467,525 1.192,526 0.774,527 0.6,528 0.799,529 0.617,530 0.573,531 0.68,532 0.785,533 1.226,534 0.985,535 1.227,536 0.755,537 1.155,538 1.13,539 0.991,540 1.113,541 0.989,542 0.992,543 1.027,544 7.5,545 0.227,546 3.333,547 2.542,548 1.922,549 0.924,550 0.7,551 0.625,552 0.406,553 0.391,554 12157,555 31003,556 2.057,557 45.6,558 6,559 15,560 1,561 3,562 1,567 1.741,568 1.908,569 3.451,570 -0.329,572 1,577 86.57,578 1.519,579 3.642,580 4.721,581 5.008,582 5.008,583 5.008,584 2.906,585 4.503,586 4.922,587 3.643,588 1694.16,589 8.625,590 23787.4,592 1,595 332.475,596 1.595,597 4.87,598 0.221,599 0.009,600 0.068,601 0.053,602 0.039,603 0.019,604 0.014,605 0.015,606 0.012,607 0.013,608 0.462,609 0.17,610 1,611 1.383,612 159.931,613 -0.022,614 -0.306,615 0.065,616 -0.138,617 -0.044,618 -0.043,619 0.019,620 0.13,621 0.153,622 0.198,623 0.109,624 0.2,625 -0.03,626 -0.214,627 -0.186,628 -0.292,629 -0.044,630 -0.275,631 -0.025,632 0.179,633 0.278,634 0.37,635 0.045,636 0.381,637 -0.001,638 -0.217,639 -0.109,640 -0.238,641 -0.009,642 -0.203,643 0.071,644 0.24,645 0.203,646 0.294,647 0.078,648 0.278,649 0.034,650 -0.248,651 -0.052,652 -0.225,653 0.01,654 -0.167,655 -0.048,656 -0.005,657 -0.112,658 -0.066,659 0.014,660 -0.091,661 1.954,662 5.476,663 0.677,664 31.994,665 1.001,666 1.14,667 3.163,668 10.005,669 0.659,670 3.555,671 3.912,672 4.143,673 4.466,674 4.718,675 4.844,676 5.037,677 5.215,678 5.303,679 5.328,680 6.8,681 0.628,682 419.56,683 3.555,684 5.118,685 5.964,686 6.866,687 7.738,688 8.648,689 9.535,690 10.449,691 11.345,692 12.263,693 12.3,696 1,698 1,701 1,703 4,708 1,709 9,710 4,714 6,716 22,728 1,734 1,735 57,737 22,738 1,739 34,741 60,742 23,743 16,744 2,745 4,748 4,749 5,754 2,755 1,762 16,763 7,780 1,781 1,783 26,784 7,785 1,786 8,789 1,792 7,797 0.75,806 1,810 1,815 1,816 3,819 1,839 1,843 3,847 4,849 1,851 31,858 2,860 1,864 1,865 1,873 1,881 16.25,882 11.593,883 6.639,884 3.222,886 4.315,887 1.546,888 0.975,889 5.883,890 12.218,891 3.829,892 4.469,893 5.073,894 5.742,895 6.36,896 6.772,897 7.297,898 7.819,899 8.187,900 8.528,901 0.875,902 48,903 11.428,905 4.801,906 7.707,907 21.852,909 17.726,911 2.207,912 68.417,915 1,916 294.278,917 146.417,918 89.564,921 14.96,923 146.417,924 294.278,925 104.524,926 34.443,927 4.211,928 56.429,929 122.181,930 49.373,931 31.387,932 247.193,934 294.278,935 235.98,936 14.96,939 309.238,943 62.543,944 88.285,945 85.153,947 309.238,948 89.564,949 146.417,952 294.278,953 28.403,954 122.425,955 18.011,956 82.102,957 294.278,958 104.524,959 146.417,961 0.588,962 0.32,963 0.181,964 0.101,965 24,966 11,967 0.117,968 7,969 1,970 1.095,971 4.107,972 286.796,973 0.095,974 21,975 145.58,981 21.203,982 8.602,983 4.832,984 0.692,985 103.237,986 15.141,987 18.06,991 3.317,993 18.011,994 545.218,995 45,1007 57.061,1008 64.98,1009 0.26,1010 0.624,1011 0.809,1012 0.859,1013 0.859,1014 0.859,1015 5.078,1016 1.528,1017 5.989,1018 4.824,1019 4.595,1020 5.156,1021 0.824,1022 6.843,1023 4.492,1024 6.314,1025 1.517,1026 7.574,1027 4.389,1028 4.369,1029 5.027,1030 0.325,1031 7.993,1032 4.24,1033 7.641,1034 1.229,1035 9.266,1036 3.982,1037 6.267,1038 7.406,1039 0.413,1040 11.031,1041 6.087,1042 9.004,1043 1.124,1044 11.023,1045 2.859,1046 6.825,1047 8.089,1048 0.268,1049 12.996,1050 6.632,1051 10.398,1052 1,1053 12.823,1054 2.634,1055 8.257,1056 9.976,1057 0.246,1058 15.626,1059 8.021,1060 11.816,1061 0.646,1062 14.652,1063 2.275,1064 9.161,1065 11.073,1066 0.188,1067 17.899,1068 8.912,1069 13.254,1070 0.504,1071 16.503,1072 1.566,1073 10.423,1074 12.747,1075 0.157,1076 20.41,1077 10.138,1078 3.319,1079 -0.143,1080 18.37,1081 1.316,1082 11.483,1083 14.063,1084 0.125,1085 22.8,1086 11.178,1087 3.209,1088 12.053,1089 20.25,1090 -0.325,1091 12.685,1092 15.645,1093 0.102,1094 25.277,1095 12.348,1096 2.657,1097 11.007,1098 22.14,1099 4.662,1100 13.812,1101 17.073,1102 0.082,1103 27.713,1104 13.451,1105 2.607,1106 8.436,1107 24.037,1108 3.7,1109 14.996,1110 18.62,1111 0.067,1112 30.182,1113 14.604,1114 2.26,1115 8.004,1116 25.942,1117 3.665,1118 16.154,1119 20.104,1120 0.054,1121 32.638,1122 15.734,1123 2.111,1124 6.608,1125 27.851,1126 3.21,1127 17.335,1128 21.639,1129 0.043,1130 35.107,1131 16.883,1132 2.007,1133 6.005,1134 29.765,1135 3.065,1136 18.507,1137 23.15,1138 0.035,1139 37.572,1140 18.025,1141 11809,1142 19144,1143 22.364,1144 37.591,1145 52.322,1146 51.922,1147 52.772,1148 51.464,1149 51.437,1150 67.873,1151 2.4,1152 151.916,1153 48.659,1154 5.625,1155 5.323,1156 6.699,1157 5.345,1158 5.319,1159 7.662,1160 1.2,1161 19.398,1162 5.179,1163 16.874,1164 1.539,1165 1.527,1166 1.552,1167 1.514,1168 1.513,1169 1.996,1170 0.071,1171 4.468,1172 1.431,1173 4.152,1174 4.199,1175 4.132,1176 4.006,1177 8.201,1178 4.031,1179 3.86,1180 3.924,1181 3.804,1182 3.757,1183 5.136,1184 3.764,1185 3.849,1186 3.883,1187 3.776,1188 3.698,1189 4.947,1190 3.702,1191 3.736,1192 3.798,1193 3.648,1194 3.572,1195 4.646,1196 3.589,1197 3.456,1198 3.553,1199 3.279,1200 3.215,1201 4.412,1202 3.216,1203 3.273,1204 3.33,1205 3.217,1206 3.11,1207 4.352,1208 3.129,1209 3.093,1210 3.191,1211 2.933,1212 2.859,1213 4.155,1214 2.866,1215 2.894,1216 3.009,1217 2.793,1218 2.748,1219 3.946,1220 2.746,1221 0.139,1222 0.098,1223 0.206,1224 0.126,1225 0.098,1226 4.728,1227 0.137,1228 3.323,1229 0.024,1230 7.018,1231 0.354,1232 4.27,1233 0.094,1234 3.319,1235 4.662,1236 0.8,1237 12.053,1238 3.179,1239 1.926,1240 1.898,1241 2.028,1242 2.077,1243 1.325,1244 2.052,1245 1.854,1246 1.808,1247 2.001,1248 1.998,1249 1.116,1250 2,1251 1.808,1252 1.749,1253 1.928,1254 1.982,1255 0.986,1256 1.982,1257 1.69,1258 1.64,1259 1.798,1260 1.88,1261 0.856,1262 1.862,1263 1.436,1264 1.338,1265 1.75,1266 1.701,1267 0.774,1268 1.725,1269 1.275,1270 1.233,1271 1.419,1272 1.459,1273 0.547,1274 1.442,1275 1.063,1276 0.967,1277 1.417,1278 1.337,1279 0.469,1280 1.349,1281 0.934,1282 0.821,1283 1.417,1284 1.239,1285 0.469,1286 1.308,1287 4.234,1289 5.58,1290 2.398,1291 7.107,1292 4.844,1293 8.719,1294 7.066,1295 10.378,1297 8.535,1299 13.476,1303 1.672,1305 3.367,1309 2.167,1310 0.053,1314 35.801,1315 86.57,1316 207.581,1317 269.091,1318 285.455,1319 285.455,1320 285.455,1321 52.053,1322 7.904,1323 71.24,1324 71.24,1325 23,1326 12.777,1327 4.524,1328 3.585,1329 49.224,1330 122,1331 137,1332 0.193,1333 221.305,1334 370.09,1335 531.744,1336 30200,1337 1.8,1338 22.01,1339 0.71,1340 0.586,1341 21.14,1342 18.172,1343 14.821,1344 0.436,1345 0.298,1346 9.951,1347 14.171,1348 9.544,1349 8.05,1350 14.427,1351 10.124,1352 14.299,1353 0.292,1354 0.176,1355 13.677,1356 8.641,1357 10.755,1358 0.173,1359 0.079,1360 10.345,1361 4.915,1362 9.526,1363 0.111,1364 0.044,1365 9.375,1366 3.767,1367 7.676,1368 0.069,1369 0.02,1370 7.446,1371 2.167,1372 0.299,1373 93.338,1374 0.211,1375 28.852,1376 0.539,1377 166,1378 498.315,1379 183.153,1380 465.88,1381 639.79,1382 436,1383 194,1384 478.516,1385 212.536,1386 486.097,1387 708.42,1388 452,1389 5.1}
{0 CHEMBL1976134,1 1.432,2 7.222,3 2.332,4 5.436,5 69.842,6 8.367,7 0.952,8 3.497,9 3.616,10 3.188,11 3.121,12 4.663,13 3.119,14 3.956,15 4.092,16 3.544,17 3.528,18 5.081,19 3.509,20 4.111,21 4.296,22 3.443,23 3.546,24 5.155,25 3.481,26 4.059,27 4.274,28 3.219,29 3.406,30 5.049,31 3.317,32 3.911,33 4.162,34 2.995,35 3.19,36 4.812,37 3.087,38 3.644,39 3.852,40 2.985,41 3.022,42 4.693,43 2.97,44 3.57,45 3.782,46 2.78,47 2.861,48 4.595,49 2.79,50 3.397,51 3.685,52 2.412,53 2.501,54 4.295,55 2.41,56 0.047,57 0.457,58 4.426,59 2.059,60 5.18,61 2.437,62 0.068,63 0.715,64 7.468,65 3.421,66 7.04,67 4.112,68 0.059,69 0.791,70 10.38,71 4.558,72 10.818,73 5.848,74 0.1,75 0.742,76 10.832,77 4.316,78 14.527,79 5.562,80 0.086,81 0.612,82 10.774,83 4.187,84 12.352,85 5.747,86 0.075,87 0.501,88 7.059,89 2.783,90 9.296,91 3.635,92 0.074,93 0.47,94 6.41,95 2.443,96 8.569,97 3.119,98 0.098,99 0.377,100 7.082,101 2.311,102 9.991,103 3.212,105 30,106 0.267,107 0.607,108 0.793,109 0.897,110 0.897,111 0.897,112 2.962,113 0.824,114 -3.17,115 -3.17,116 -3.04,119 50,142 5,143 4,145 1,146 1,151 2,161 1,168 1,172 8,175 4,178 1,180 3,183 9,188 5,193 3,196 7,200 4,205 3,208 5,213 2,218 2,221 4,224 1,225 2,230 3,233 2,238 1,241 1,243 2,246 1,253 1,255 2,268 1,276 316,277 12.671,278 12.671,279 12.671,280 12.671,281 12.671,282 10.46,284 7.403,285 12.854,286 10.397,287 10.397,288 10.397,289 10.397,290 10.397,291 7.093,293 3.519,294 10.685,295 3.376,296 1.557,297 0.557,301 3.666,305 1,306 1,307 300,308 1.732,311 69.163,312 72.957,315 117.653,319 1.136,320 7.917,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 38,332 130,333 4.503,334 3.051,335 6.341,336 4.037,337 3.051,338 4.435,340 9.751,341 3.01,342 4.382,343 2.882,344 6.17,345 3.856,346 2.882,347 4.323,349 9.161,350 2.806,351 3.93,352 2.53,353 5.916,354 3.513,355 2.53,356 3.464,358 8.275,359 2.486,360 3.056,361 1.556,362 4.5,363 2.535,364 1.556,365 2.334,367 4.497,368 1.521,369 3.034,370 1.534,371 4.373,372 2.514,373 1.534,374 2.301,376 4.219,377 1.501,378 3.032,379 1.532,380 4.258,381 2.481,382 1.532,383 2.298,385 3.972,386 1.448,387 2.605,388 1.113,389 3.458,390 2.069,391 1.113,392 1.657,394 2.467,395 1.061,396 2.5,397 1,398 3.416,399 1.967,400 1,401 1.5,403 2.296,404 0.965,405 1.963,406 0.478,407 3.072,408 1.442,409 0.478,410 0.706,412 1.152,413 0.459,414 1.847,415 0.347,416 3,417 1.307,418 0.347,419 0.521,421 0.871,422 0.333,423 0.908,424 -0.521,425 2.637,426 0.455,427 -0.521,428 -0.72,430 -1.42,431 -0.507,432 0.667,433 -0.833,434 2.265,435 0.15,436 -0.833,437 -1.25,439 -2.304,440 -0.816,441 0.585,442 -0.909,443 2.087,444 0.068,445 -0.909,446 -1.355,448 -2.511,449 -0.884,450 0.5,451 -1,452 1.636,453 -0.035,454 -1,455 -1.5,457 -2.513,458 -0.967,459 -0.102,460 -1.596,461 1.529,462 -0.629,463 -1.596,464 -2.192,466 -4.488,467 -1.521,468 8.6,469 0.478,470 0.359,471 0.02,472 28,473 1.556,474 16,475 0.889,476 12,477 0.667,478 9.293,479 0.516,480 17.2,481 0.614,482 16.168,483 0.898,484 5.601,485 0.311,486 3.298,487 0.183,490 0.349,496 0.883,497 0.956,498 0.678,499 0.769,500 0.827,501 0.71,502 0.942,503 1.012,504 0.837,505 0.903,506 0.904,507 0.865,508 0.883,509 1.137,510 1.017,511 1.144,512 0.872,513 1.109,514 1.116,515 1.01,516 1.187,517 1.106,518 1.244,519 1.146,520 0.803,521 0.897,522 0.909,523 0.944,524 0.899,525 0.942,526 0.912,527 1.007,528 0.898,529 0.96,530 0.88,531 0.934,532 1.161,533 1.233,534 1.225,535 1.255,536 1.155,537 1.25,538 1.094,539 0.839,540 0.904,541 0.789,542 1.023,543 0.813,544 3,546 2.222,547 0.764,548 0.737,549 0.368,550 0.219,551 0.118,552 0.082,554 3167,555 8062,556 2.289,557 35.7,559 5,560 2,561 1,562 2,567 1.584,568 2.25,569 2.917,570 0.374,572 1,574 1,577 40.084,578 1.432,579 3.25,580 4.25,581 4.807,582 4.807,583 4.807,584 2.281,585 3.17,586 4.148,587 3.002,588 459.265,589 7.024,590 4207.15,591 1,592 1,594 1,595 134.606,596 0.918,597 4.142,598 0.143,600 0.074,601 0.029,602 0.037,603 0.023,604 0.014,605 0.01,606 0.01,608 0.34,609 0.83,610 1,612 75.287,613 0.033,614 0.1,615 0.046,616 0.084,617 -0.061,618 0.071,619 -0.058,620 0.015,621 -0.074,622 -0.026,623 -0.09,624 -0.047,625 -0.081,626 -0.197,627 -0.125,628 -0.187,629 0.014,630 -0.167,631 -0.206,632 -0.065,633 -0.223,634 -0.132,635 -0.285,636 -0.17,637 0.024,638 -0.019,639 0.169,640 0.11,641 0.098,642 0.149,643 0.079,644 -0.035,645 0.064,646 -0.003,647 0.154,648 0.022,649 -0.035,650 -0.236,651 -0.256,652 -0.331,653 -0.168,654 -0.326,655 0.137,656 0.111,657 0.294,658 0.243,659 0.2,660 0.281,661 0.75,662 1.401,663 1,664 10.173,665 1.002,666 1.116,667 1.945,668 3.782,669 0.725,670 3.091,671 3.434,672 3.761,673 4.043,674 4.205,675 4.317,676 4.477,677 4.595,678 4.543,679 4.654,680 4.498,681 0.702,682 234.28,683 3.091,684 4.635,685 5.509,686 6.395,687 7.28,688 8.168,689 9.055,690 9.944,691 10.832,692 11.721,693 14.3,701 2,703 2,708 4,709 8,710 2,711 2,714 2,716 20,735 28,737 20,738 1,739 21,741 31,742 14,743 14,744 3,745 3,748 4,749 6,762 14,780 1,783 10,784 2,785 2,786 4,792 4,797 0.5,807 1,809 1,811 1,815 2,816 2,819 2,843 2,851 18,881 8,882 5.067,883 3.833,884 1.606,886 4.027,887 1.58,888 1.127,889 1.945,890 10.977,891 3.466,892 4.182,893 4.896,894 5.564,895 6.079,896 6.517,897 7.039,898 7.53,899 7.777,900 8.294,901 0.8,902 26,903 6.588,905 2.866,906 7.556,907 12.724,909 10.782,911 2.056,912 37,913 0.002,916 94.169,917 89.9,918 66.897,923 89.9,924 94.169,925 66.897,928 65.476,929 46.935,930 56.157,931 23.542,932 58.856,934 94.169,935 156.797,939 94.169,943 46.355,944 76.993,945 33.449,947 94.169,948 66.897,949 89.9,952 94.169,953 15.377,954 74.523,955 33.449,956 33.449,957 94.169,958 66.897,959 89.9,961 0.587,962 0.353,963 0.194,964 0.093,965 18,966 6,967 0.032,968 1,969 2,970 1.222,971 3.201,972 138.941,973 0.222,974 18,975 73.059,981 9.715,982 3.603,983 1.516,984 4.13,985 33.449,986 16.063,987 8.607,988 5.967,991 2.234,993 33.449,994 250.966,995 31,1007 28.058,1008 31.239,1009 0.298,1010 0.676,1011 0.884,1012 1,1013 1,1014 1,1015 4.673,1016 1,1017 5.485,1018 2.467,1019 4.111,1020 4.868,1022 6.301,1023 4.061,1024 5.912,1025 0.478,1026 7.04,1027 2.296,1028 3.611,1029 4.691,1031 7.168,1032 3.563,1033 7.237,1034 0.347,1035 8.693,1036 1.152,1037 5.707,1038 7.227,1040 10.264,1041 5.621,1042 8.605,1043 -0.521,1044 10.405,1045 0.871,1046 6.089,1047 7.956,1049 11.959,1050 5.999,1051 10.005,1052 -0.833,1053 12.154,1054 -1.42,1055 7.591,1056 9.874,1058 14.52,1059 7.473,1060 11.429,1061 -0.909,1062 13.926,1063 -2.304,1064 8.363,1065 11.009,1067 16.533,1068 8.234,1069 12.869,1070 -1,1071 15.715,1072 -2.511,1073 9.625,1074 12.675,1076 18.903,1077 9.474,1078 3.051,1079 -1.596,1080 17.514,1081 -2.513,1082 10.571,1083 13.996,1085 21.048,1086 10.407,1087 2.882,1088 9.751,1089 19.321,1090 -4.488,1091 11.733,1092 15.555,1094 23.345,1095 11.549,1096 2.53,1097 9.161,1098 21.134,1099 4.435,1100 12.758,1101 16.96,1103 25.547,1104 12.56,1105 1.556,1106 8.275,1107 22.95,1108 4.323,1109 13.879,1110 18.473,1112 27.816,1113 13.663,1114 1.534,1115 4.497,1116 24.769,1117 3.464,1118 14.941,1119 19.917,1121 30.045,1122 14.71,1123 1.532,1124 4.219,1125 26.59,1126 2.334,1127 16.046,1128 21.41,1130 32.305,1131 15.799,1132 1.113,1133 3.972,1134 28.413,1135 2.301,1136 17.126,1137 22.873,1139 34.548,1140 16.865,1141 2879,1142 4687,1143 14.909,1144 20.307,1145 32.184,1146 32.048,1147 31.864,1148 32.012,1149 32.048,1150 47.079,1152 93.323,1153 31.18,1154 5.152,1155 5.051,1156 5.854,1157 5.086,1158 5.051,1159 7.435,1161 16.266,1162 5.01,1164 1.533,1165 1.526,1166 1.517,1167 1.524,1168 1.526,1169 2.242,1171 4.444,1172 1.485,1173 4.147,1174 4.185,1175 4.111,1176 4.055,1177 5.121,1178 4.064,1179 4.021,1180 4.068,1181 3.982,1182 3.897,1183 5.034,1184 3.912,1185 3.499,1186 3.556,1187 3.433,1188 3.358,1189 4.445,1190 3.37,1191 3.18,1192 3.256,1193 3.076,1194 2.987,1195 4.222,1196 3,1197 2.89,1198 2.956,1199 2.784,1200 2.766,1201 3.873,1202 2.759,1203 2.835,1204 2.912,1205 2.722,1206 2.62,1207 3.716,1208 2.641,1209 2.432,1210 2.507,1211 2.314,1212 2.276,1213 3.223,1214 2.273,1215 2.308,1216 2.417,1217 2.121,1218 2.087,1219 3.077,1220 2.09,1221 0.214,1222 0.145,1223 0.302,1224 0.192,1225 0.145,1226 4.503,1227 0.211,1228 3.051,1230 6.341,1231 0.464,1232 4.037,1233 0.143,1234 3.051,1235 4.435,1237 9.751,1238 3.01,1239 1.995,1240 1.975,1241 2.065,1242 2.068,1243 1.208,1244 2.067,1245 1.776,1246 1.749,1247 1.855,1248 1.883,1249 0.977,1250 1.875,1251 1.464,1252 1.396,1253 1.639,1254 1.701,1255 0.615,1256 1.687,1257 1.357,1258 1.275,1259 1.515,1260 1.684,1261 0.494,1262 1.645,1263 1.057,1264 1.014,1265 1.182,1266 1.193,1267 0.257,1268 1.198,1269 0.845,1270 0.782,1271 1.11,1272 1.026,1273 0.169,1274 1.058,1275 0.641,1276 0.557,1277 0.914,1278 0.892,1280 0.908,1281 0.49,1282 0.406,1283 0.816,1284 0.732,1286 0.77,1287 3.761,1289 5.094,1290 3.045,1291 6.621,1292 5.283,1293 8.237,1294 7.273,1295 9.899,1314 19.666,1315 40.084,1316 90.996,1317 118.996,1318 134.606,1319 134.606,1320 134.606,1321 15.126,1322 6.95,1323 57.36,1324 57.36,1325 22,1326 12.251,1327 4.392,1328 3.459,1329 22.741,1330 49,1331 36,1332 0.234,1333 119.248,1334 180.6,1335 282.724,1336 8920,1338 11.949,1339 0.664,1340 0.529,1341 11.949,1342 9.513,1343 8.899,1344 0.424,1345 0.275,1346 5.705,1347 8.626,1348 5.605,1349 4.637,1350 8.899,1351 5.771,1352 8.048,1353 0.268,1354 0.143,1355 8.048,1356 4.298,1357 7.327,1358 0.174,1359 0.075,1360 7.327,1361 3.169,1362 6.334,1363 0.113,1364 0.039,1365 6.334,1366 2.211,1367 4.743,1368 0.072,1369 0.021,1370 4.743,1371 1.377,1372 0.356,1373 55.256,1374 0.259,1375 17.88,1376 0.673,1377 102,1378 261.956,1379 108.605,1380 264.458,1381 379.68,1382 250,1383 123,1384 298.606,1385 130.41,1386 305.563,1387 446.62,1388 289,1389 5.9}
{0 CHEMBL1976220,1 1.748,2 11.852,3 4.293,4 18.433,5 113.392,6 10.461,7 0.733,8 3.861,9 3.964,10 3.757,11 3.555,12 5.061,13 3.508,14 4.303,15 4.417,16 4.172,17 3.952,18 5.527,19 3.873,20 4.535,21 4.697,22 4.187,23 4.039,24 5.66,25 3.938,26 4.547,27 4.725,28 4.199,29 3.971,30 5.719,31 3.867,32 4.523,33 4.716,34 3.904,35 3.861,36 5.693,37 3.738,38 4.364,39 4.567,40 3.929,41 3.682,42 5.55,43 3.592,44 4.218,45 4.427,46 3.598,47 3.589,48 5.249,49 3.471,50 4.146,51 4.364,52 3.698,53 3.533,54 5.181,55 3.393,56 0.061,57 0.601,58 3.899,59 3.226,60 8.833,61 3.491,62 0.191,63 0.935,64 8.241,65 5.794,66 17.693,67 6.63,68 0.222,69 1.162,70 22.584,71 8.126,72 27.671,73 8.442,74 0.193,75 1.187,76 21.867,77 8.459,78 23.564,79 9.443,80 0.294,81 1.139,82 29.87,83 9.302,84 42.8,85 9.234,86 0.302,87 0.966,88 20.695,89 7.221,90 40.112,91 7.554,92 0.168,93 0.83,94 16.398,95 5.998,96 23.35,97 7.117,98 0.139,99 0.759,100 15.055,101 6.366,102 17.826,103 7.886,104 10,105 42,106 0.3,107 0.596,108 0.748,109 0.856,110 0.875,111 0.884,112 3.339,113 0.983,114 -5.02,115 -4.92,116 -4.61,117 1,119 47.6,142 9,143 3,144 3,145 1,147 1,151 1,152 1,159 1,163 1,164 1,165 1,172 8,175 2,177 1,178 3,179 1,180 5,183 16,185 1,188 1,193 4,196 10,198 1,200 6,205 10,208 6,210 3,213 5,218 6,221 4,223 2,225 5,230 6,233 6,235 2,238 1,243 2,246 6,250 1,253 1,254 1,255 2,257 1,258 8,264 1,269 1,272 7,276 1035,277 18.309,278 18.309,279 18.309,280 18.309,281 18.309,282 15.515,283 16.529,284 10.791,285 18.832,286 14.831,287 14.831,288 14.831,289 14.831,290 14.831,291 10.69,292 22.806,293 5.145,294 15.727,295 3.644,296 1.919,297 1.031,298 0.399,299 0.286,300 0.238,301 4.038,305 1,306 1,307 703,308 3,311 62.79,312 262.4,315 118.128,319 1.953,320 19.473,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 56.75,332 320,333 4.666,334 3.563,335 6.884,336 4.198,337 3.229,338 4.626,339 1.656,340 11.489,341 3.131,342 4.1,343 3.244,344 5.857,345 3.704,346 2.745,347 3.686,348 0.247,349 8.081,350 2.629,351 4.033,352 2.935,353 5.617,354 3.588,355 2.625,356 3.648,358 7.758,359 2.514,360 3.733,361 2.656,362 5.391,363 3.349,364 2.391,365 3.078,367 7.082,368 2.278,369 3.468,370 2.346,371 5.034,372 3.031,373 2.095,374 2.81,376 5.716,377 1.947,378 3.416,379 2.276,380 4.901,381 2.88,382 1.99,383 2.741,385 5.674,386 1.758,387 3.165,388 2.058,389 4.542,390 2.684,391 1.743,392 2.381,394 4.688,395 1.536,396 2.977,397 1.539,398 4.38,399 2.467,400 1.493,401 2.182,403 4.009,404 1.44,405 2.658,406 1.274,407 3.81,408 2.162,409 1.182,410 1.729,412 2.689,413 1.122,414 2.553,415 1.088,416 3.479,417 2.006,418 1.064,419 1.577,421 2.585,422 1,423 2.5,424 1,425 3.414,426 2,427 1,428 1.5,430 2.275,431 0.993,432 2.187,433 0.807,434 3.313,435 1.582,436 0.744,437 1.053,439 1.81,440 0.607,441 1.322,442 0.625,443 2.949,444 1.018,445 0.072,446 0.085,448 0.194,449 0.067,450 1.182,451 0.283,452 2.508,453 0.761,454 -0.233,455 -0.304,457 -0.562,458 -0.201,459 1.042,460 0.176,461 2.365,462 0.603,463 -0.335,464 -0.442,466 -0.77,467 -0.246,468 14.1,469 0.522,470 0.661,471 0.024,472 40,473 1.481,474 23,475 0.852,476 17,477 0.63,478 19.836,479 0.735,480 26.1,481 0.621,482 26.729,483 0.99,484 7.605,485 0.282,486 5.492,487 0.203,488 0.147,490 0.319,496 0.864,497 0.93,498 0.503,499 0.622,500 0.755,501 0.66,502 0.459,503 0.941,504 0.63,505 0.832,506 0.479,507 0.875,508 1.185,509 1.021,510 0.995,511 0.953,512 1.038,513 0.996,514 0.879,515 1.274,516 0.758,517 1.098,518 0.844,519 1.074,520 1.536,521 1.076,522 0.94,523 1.129,524 1.651,525 1.1,526 1.241,527 1.004,528 0.622,529 0.924,530 1.442,531 0.943,532 0.888,533 0.995,534 0.711,535 0.889,536 0.901,537 1.051,538 0.513,539 0.897,540 0.663,541 0.88,542 0.573,543 0.962,544 5.5,545 0.091,546 2.667,547 2.063,548 1.468,549 0.723,550 0.406,551 0.305,552 0.193,553 0.208,554 10041,555 32046,556 2.12,557 35.7,559 9,560 1,561 1,562 4,567 1.694,568 2,569 3.514,570 1.698,572 1,577 73.435,578 1.748,579 3.474,580 4.362,581 4.993,582 5.107,583 5.154,584 2.94,585 4.607,586 4.728,587 3.718,588 1304.95,589 8.171,590 17354.7,592 1,594 1,595 226.477,596 1.352,597 4.694,598 0.183,599 0.005,600 0.063,601 0.05,602 0.039,603 0.023,604 0.015,605 0.013,606 0.009,607 0.01,608 0.411,609 0.17,610 1,611 0.528,612 136.072,613 -0.149,614 0.112,615 -0.004,616 0.113,617 -0.16,618 0.094,619 0.274,620 0.066,621 -0.004,622 -0.006,623 0.141,624 -0.056,625 -0.227,626 -0.016,627 -0.101,628 -0.043,629 -0.156,630 -0.092,631 0.045,632 -0.289,633 0.004,634 -0.167,635 0.08,636 -0.121,637 -0.264,638 -0.084,639 -0.123,640 -0.119,641 -0.163,642 -0.111,643 -0.029,644 -0.016,645 0.056,646 -0.017,647 -0.056,648 0.031,649 -0.079,650 -0.055,651 -0.023,652 -0.043,653 -0.138,654 -0.064,655 0.241,657 0.099,658 0.063,659 0.159,660 0.101,661 1.963,662 5.166,663 0.778,664 26.123,665 1.008,666 1.106,667 3.786,668 14.334,669 0.763,670 3.434,671 3.761,672 4.025,673 4.317,674 4.489,675 4.522,676 4.605,677 4.762,678 4.762,679 4.828,680 7.122,681 0.718,682 439.36,683 3.434,684 4.977,685 5.826,686 6.708,687 7.572,688 8.459,689 9.33,690 10.22,691 11.096,692 11.989,693 9.5,697 1,700 2,703 1,708 2,709 11,710 1,713 1,714 6,716 22,727 1,734 1,735 42,737 23,738 2,739 30,740 1,741 45,742 20,743 19,744 4,745 8,748 4,749 5,753 1,762 20,767 1,772 1,776 1,780 1,783 15,784 5,785 4,786 7,787 2,792 4,797 0.75,798 1,809 1,815 1,816 3,819 1,843 3,845 1,846 1,851 27,852 1,860 2,869 1,873 1,874 2.4,877 1,881 13.5,882 7.426,883 5.861,884 2.263,886 4.106,887 1.541,888 1.052,889 5.208,890 11.695,891 3.761,892 4.41,893 5.02,894 5.664,895 6.181,896 6.463,897 6.868,898 7.339,899 7.561,900 7.903,901 0.875,902 41,903 9.91,905 4.223,906 7.744,907 18.811,909 15.434,911 2.244,912 60.583,915 1,916 129.482,917 158.123,918 131.658,920 25.145,922 31.278,923 172.799,924 154.627,925 85.704,927 36.022,928 125.832,929 53.702,930 26.56,931 19.121,932 137.218,933 45.954,934 129.482,935 212.549,936 25.145,937 31.278,938 45.954,939 129.482,940 25.145,943 45.069,944 150.695,945 16.786,946 77.232,947 129.482,948 110.849,949 204.077,952 129.482,953 56.14,954 101.983,955 81.976,956 74.828,957 129.482,958 110.849,959 204.077,961 0.583,962 0.336,963 0.189,964 0.098,965 21,966 9,967 0.067,968 3,969 1,970 1.095,971 3.994,972 227.926,973 0.095,974 21,975 124.382,977 1,981 18.107,982 7.765,983 4.029,984 2.073,985 110.849,986 20.833,987 4.184,990 1.637,991 4.925,993 68.919,994 444.408,995 42,1000 12.166,1004 -0.296,1007 42.342,1008 46.455,1009 0.324,1010 0.644,1011 0.809,1012 0.926,1013 0.947,1014 0.956,1015 4.98,1016 1.493,1017 5.808,1018 4.688,1019 4.443,1020 5.097,1021 1.758,1022 6.611,1023 4.336,1024 6.205,1025 1.182,1026 7.357,1027 4.009,1028 4.007,1029 4.902,1030 1.195,1031 7.489,1032 3.839,1033 7.517,1034 1.064,1035 9.004,1036 2.689,1037 6.023,1038 7.352,1039 2.415,1040 10.607,1041 5.842,1042 8.865,1043 1,1044 10.712,1045 2.585,1046 6.399,1047 7.999,1048 2.324,1049 12.381,1050 6.173,1051 10.244,1052 0.744,1053 12.461,1054 2.275,1055 7.888,1056 9.914,1057 3.244,1058 15.029,1059 7.648,1060 11.647,1061 0.072,1062 14.241,1063 1.81,1064 8.658,1065 10.992,1066 3.407,1067 17.197,1068 8.381,1069 13.07,1070 -0.233,1071 16.046,1072 0.194,1073 9.932,1074 12.675,1075 4.156,1076 19.697,1077 9.638,1078 3.229,1079 -0.335,1080 17.872,1081 -0.562,1082 10.899,1083 13.979,1084 4.464,1085 22.031,1086 10.572,1087 2.745,1088 11.489,1089 19.715,1090 -0.77,1091 12.088,1092 15.563,1093 5.111,1094 24.486,1095 11.74,1096 2.625,1097 8.081,1098 21.572,1099 4.626,1100 13.153,1101 16.981,1102 5.504,1103 26.885,1104 12.774,1105 2.391,1106 7.758,1107 23.442,1108 3.686,1109 14.313,1110 18.526,1111 6.091,1112 29.329,1113 13.91,1114 2.095,1115 7.082,1116 25.321,1117 3.648,1118 15.425,1119 20,1120 6.531,1121 31.753,1122 14.993,1123 1.99,1124 5.716,1125 27.209,1126 3.078,1127 16.579,1128 21.531,1129 7.083,1130 34.194,1131 16.121,1132 1.743,1133 5.674,1134 29.104,1135 2.81,1136 17.716,1137 23.033,1138 7.551,1139 36.628,1140 17.229,1141 9415,1142 16947,1143 20.285,1144 32.046,1145 45.308,1146 45.899,1147 46.346,1148 44.898,1149 44.744,1150 62.193,1151 3.806,1152 128.101,1153 42.045,1154 5.533,1155 5.563,1156 6.441,1157 5.293,1158 5.229,1159 7.626,1160 2.912,1161 18.662,1162 5.131,1163 11.774,1164 1.51,1165 1.53,1166 1.545,1167 1.497,1168 1.491,1169 2.073,1170 0.127,1171 4.27,1172 1.401,1173 4.105,1174 4.118,1175 6.88,1176 4.112,1177 7.431,1178 4.069,1179 3.915,1180 3.945,1181 4.33,1182 3.862,1183 5.189,1184 3.845,1185 3.833,1186 3.864,1187 3.845,1188 3.776,1189 4.791,1190 3.765,1191 3.432,1192 3.475,1193 3.741,1194 3.228,1195 4.748,1196 3.24,1197 3.267,1198 3.31,1199 3.452,1200 3.115,1201 4.613,1202 3.116,1203 3.068,1204 3.161,1205 3.347,1206 2.914,1207 4.252,1208 2.883,1209 2.88,1210 2.942,1211 3.004,1212 2.86,1213 3.999,1214 2.794,1215 2.865,1216 2.925,1217 2.771,1218 2.735,1219 3.779,1220 2.717,1221 0.156,1222 0.119,1223 0.229,1224 0.14,1225 0.108,1226 4.666,1227 0.154,1228 3.563,1229 0.055,1230 6.884,1231 0.383,1232 4.198,1233 0.104,1234 3.229,1235 4.626,1236 1.656,1237 11.489,1238 3.131,1239 1.957,1240 1.935,1241 2.036,1242 2.042,1243 1.171,1244 2.04,1245 1.882,1246 1.858,1247 1.959,1248 1.972,1249 1.069,1250 1.977,1251 1.808,1252 1.785,1253 1.868,1254 1.909,1255 0.989,1256 1.913,1257 1.407,1258 1.394,1259 1.456,1260 1.588,1261 0.64,1262 1.56,1263 1.217,1264 1.18,1265 1.335,1266 1.392,1267 0.312,1268 1.422,1269 0.916,1270 0.842,1271 1.209,1272 1.247,1273 0.218,1274 1.251,1275 0.886,1276 0.83,1277 1.181,1278 1.062,1279 0.181,1280 1.107,1281 0.873,1282 0.821,1283 1.09,1284 1.047,1285 0.144,1286 1.076,1287 4.111,1289 5.434,1290 2.398,1291 6.946,1292 4.727,1293 8.547,1294 6.862,1295 10.193,1296 3.384,1301 6.045,1305 5.633,1314 30.174,1315 73.435,1316 145.894,1317 183.193,1318 209.722,1319 214.477,1320 216.477,1321 37.167,1322 7.589,1323 80.04,1324 108.28,1325 23,1326 12.519,1327 4.585,1328 3.7,1329 40.549,1330 119,1331 99,1332 0.169,1333 195.061,1334 323.06,1335 467.708,1336 22050,1337 2.4,1338 18.803,1339 0.696,1340 0.61,1341 20.156,1342 16.472,1343 13.097,1344 0.437,1345 0.328,1346 8.209,1347 11.753,1348 7.908,1349 6.546,1350 14.129,1351 9.829,1352 11.982,1353 0.285,1354 0.184,1355 13.349,1356 7.712,1357 9.814,1358 0.178,1359 0.1,1360 11.012,1361 5.492,1362 8.669,1363 0.117,1364 0.057,1365 10.068,1366 4.185,1367 6.625,1368 0.075,1369 0.03,1370 7.709,1371 2.663,1372 0.272,1373 93.634,1374 0.222,1375 26.359,1376 0.444,1377 144,1378 404.873,1379 241.444,1380 461.775,1381 624.84,1382 430,1383 169,1384 423.587,1385 225.296,1386 460.874,1387 670.87,1388 434,1389 5.7}
{0 CHEMBL1976240,1 1.486,2 11.577,3 2.173,4 4.721,5 101.21,6 7.393,7 0.643,8 3.932,9 4.052,10 3.485,11 3.498,12 5.093,13 3.474,14 4.411,15 4.571,16 3.783,17 3.855,18 5.517,19 3.808,20 4.646,21 4.84,22 3.862,23 3.996,24 5.711,25 3.922,26 4.722,27 4.928,28 3.805,29 3.985,30 5.812,31 3.894,32 4.777,33 5.014,34 3.761,35 3.952,36 5.878,37 3.846,38 4.681,39 4.917,40 3.64,41 3.844,42 5.747,43 3.738,44 4.554,45 4.796,46 3.538,47 3.712,48 5.672,49 3.611,50 4.457,51 4.714,52 3.371,53 3.586,54 5.519,55 3.476,56 0.033,57 0.657,58 9.398,59 4.163,60 10.523,61 5.396,62 0.177,63 1.012,64 16.632,65 6.737,66 24.143,67 8.852,68 0.178,69 1.245,70 22.007,71 8.814,72 32.125,73 11.824,74 0.191,75 1.313,76 24.321,77 9.244,78 41.018,79 12.489,80 0.356,81 1.33,82 27.23,83 9.854,84 63.117,85 13.587,86 0.302,87 1.199,88 24.816,89 8.934,90 50.717,91 12.206,92 0.312,93 1.072,94 21.875,95 7.604,96 47.757,97 10.6,98 0.2,99 0.952,100 20.168,101 7.065,102 43.066,103 9.852,104 14,105 37,106 0.253,107 0.571,108 0.735,109 0.84,110 0.855,111 0.855,112 3.304,113 0.896,114 -3.22,115 -3.21,116 -3.09,119 44.7,124 1,125 1,127 1,142 10,143 4,144 1,145 2,158 1,163 1,164 1,165 1,172 13,175 5,178 1,180 2,183 15,188 5,192 1,193 5,195 1,196 11,198 1,200 5,205 5,208 6,210 2,213 5,215 1,216 2,218 4,221 6,223 2,225 4,227 1,228 1,230 4,233 7,235 3,237 1,238 5,243 4,246 8,248 2,250 2,255 1,258 7,260 1,263 1,264 2,267 1,269 1,272 7,274 1,276 1032,277 17.947,278 17.947,279 17.947,280 17.947,281 17.947,282 15.744,283 12.88,284 10.734,285 18.239,286 13.691,287 13.691,288 13.691,289 13.691,290 13.691,291 10.377,292 17.698,293 4.915,294 14.041,295 4.069,296 2.197,297 1.233,298 0.612,299 0.527,300 0.527,301 3.987,304 1,305 1,306 1,307 639,308 3.391,312 290.893,319 1.84,320 21.349,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 55.5,332 301,333 4.292,334 3.589,335 6.23,336 3.951,337 2.96,338 3.927,339 1.081,340 9.343,341 2.936,342 4.175,343 3.114,344 6.145,345 3.849,346 2.859,347 3.729,348 0.86,349 9.063,350 2.827,351 4.015,352 2.843,353 5.942,354 3.652,355 2.651,356 3.505,357 0.473,358 8.33,359 2.651,360 3.574,361 2.711,362 5.28,363 3.265,364 2.319,365 2.846,367 6.683,368 2.186,369 3.372,370 2.125,371 4.562,372 2.878,373 1.897,374 2.716,376 4.79,377 1.857,378 2.946,379 1.721,380 4.354,381 2.525,382 1.563,383 2.076,385 4.119,386 1.497,387 2.763,388 1.693,389 3.912,390 2.32,391 1.339,392 1.85,394 3.077,395 1.306,396 2.564,397 1.2,398 3.49,399 2.103,400 1.119,401 1.584,403 2.594,404 1.099,405 2.5,406 1.128,407 3.469,408 2,409 1,410 1.5,412 2.407,413 1,414 2.5,415 1,416 3.414,417 1.985,418 1,419 1.5,421 2.275,422 0.983,423 2.428,424 1,425 3.247,426 1.984,427 1,428 1.361,430 2.136,431 0.979,432 1.583,433 0.936,434 2.709,435 1.294,436 0.429,437 0.481,439 0.622,440 0.368,441 1.361,442 0.808,443 2.692,444 1.183,445 0.238,446 0.258,448 0.36,449 0.223,450 1.044,451 0.093,452 2.464,453 0.633,454 -0.361,455 -0.465,457 -0.841,458 -0.357,459 0.802,460 -0.29,461 2.306,462 0.427,463 -0.58,464 -0.764,466 -1.328,467 -0.577,468 12.367,469 0.476,470 0.465,471 0.018,472 36,473 1.385,474 20,475 0.769,476 16,477 0.615,478 17.744,479 0.682,480 27.233,481 0.579,482 26.955,483 1.037,484 7.536,485 0.29,486 5.171,487 0.199,488 0.1,490 0.283,496 0.847,497 1.118,498 0.816,499 0.984,500 0.756,501 0.901,502 1.023,503 1,504 0.949,505 0.943,506 0.755,507 0.935,508 0.937,509 1.03,510 0.963,511 1.032,512 0.868,513 1.006,514 1.117,515 1.18,516 1.113,517 1.165,518 1.281,519 1.142,520 1.053,521 0.991,522 0.998,523 0.987,524 1.28,525 0.99,526 1.197,527 1.023,528 1.041,529 1.005,530 1.338,531 1.009,532 1.035,533 0.988,534 1,535 0.965,536 1.077,537 0.969,538 1.124,539 0.916,540 0.964,541 0.928,542 1.433,543 0.92,544 4.5,545 0.083,546 2.889,547 1.313,548 1.076,549 0.924,550 0.527,551 0.274,552 0.205,553 0.154,554 8302,555 22238,556 2.059,557 44.7,559 16,561 2,562 3,567 1.688,568 1.95,569 3.503,570 0.898,571 1,572 1,577 69.833,578 1.486,579 3.358,580 4.321,581 4.943,582 5.028,583 5.028,584 2.95,585 4.239,586 4.671,587 3.654,588 1187.4,589 8.08,590 15198.4,592 1,594 1,595 261.066,596 1.3,597 4.642,598 0.161,599 0.005,600 0.078,601 0.034,602 0.031,603 0.028,604 0.018,605 0.011,606 0.009,607 0.008,608 0.382,609 0.33,610 1,611 0.825,612 128.82,613 -0.068,614 0.017,615 0.025,616 0.028,617 -0.105,618 0.043,619 -0.051,620 0.074,621 -0.045,622 0.052,623 -0.033,624 0.013,625 -0.042,626 -0.01,627 -0.032,628 -0.037,629 -0.009,630 -0.034,631 -0.112,632 -0.176,633 -0.157,634 -0.187,635 -0.111,636 -0.179,637 0.035,638 -0.036,639 0.004,640 -0.013,641 0.021,642 -0.013,643 -0.049,644 -0.076,645 -0.034,646 -0.031,647 -0.051,648 -0.034,649 0.065,650 -0.014,651 0.009,652 -0.007,653 0.094,654 -0.001,655 -0.069,656 0.029,657 0.056,658 0.037,659 -0.072,660 0.064,661 1.829,662 5.582,663 0.692,664 25.207,665 0.998,666 1.12,667 1.995,668 3.978,669 0.676,670 3.367,671 3.638,672 3.892,673 4.078,674 4.277,675 4.248,676 4.331,677 4.29,678 4.344,679 4.369,680 6.744,681 0.643,682 347.45,683 3.367,684 4.875,685 5.707,686 6.555,687 7.402,688 8.255,689 9.105,690 9.959,691 10.812,692 11.667,693 6.4,694 1,700 1,703 1,709 12,710 1,714 5,716 18,723 1,733 1,735 47,737 19,738 2,739 28,741 49,742 21,743 17,744 4,745 8,746 1,748 3,749 3,754 1,760 1,762 18,763 3,767 1,772 1,776 1,779 1,780 1,783 21,784 5,785 3,786 5,792 3,797 1,798 2,809 1,816 3,836 1,843 3,847 1,851 26,852 1,858 1,860 1,861 1,863 1,874 4.3,877 1,879 1,881 13.333,882 8.45,883 6,884 2.571,886 3.037,887 1.436,888 0.976,889 5.872,890 10.002,891 3.664,892 4.212,893 4.773,894 5.289,895 5.813,896 5.909,897 6.291,898 6.465,899 6.758,900 7.032,901 0.875,902 39,903 9.57,905 3.958,906 7.763,907 18.145,909 14.402,911 2.263,912 58.833,916 211.88,917 148.536,918 67.693,920 36.145,923 148.536,924 248.025,925 67.693,926 10.883,927 53.014,928 94.762,929 70.177,930 47.08,932 188.338,934 211.88,935 216.23,936 36.145,939 211.88,940 36.145,943 71.108,944 128.336,945 16.786,947 211.88,948 103.838,949 148.536,952 211.88,953 24.796,954 123.74,955 18.011,956 85.828,957 211.88,958 103.838,959 148.536,961 0.564,962 0.34,963 0.18,964 0.097,965 16,966 7,967 0.122,968 6,970 1,971 3.846,972 206.983,974 18,975 114.211,981 17.962,982 8.5,983 4.424,985 103.838,986 22.367,987 4.015,991 4.324,993 50.908,994 464.255,995 38,1000 12.582,1004 -0.162,1007 46.912,1008 52.651,1009 0.267,1010 0.604,1011 0.778,1012 0.89,1013 0.905,1014 0.905,1015 4.856,1016 1.119,1017 5.659,1018 3.077,1019 4.317,1020 4.898,1021 1.661,1022 6.418,1023 4.278,1024 6.035,1025 1,1026 7.188,1027 2.594,1028 3.761,1029 4.46,1031 7.235,1032 3.73,1033 7.313,1034 1,1035 8.816,1036 2.407,1037 5.861,1038 7.019,1039 1.594,1040 10.286,1041 5.797,1042 8.626,1043 1,1044 10.505,1045 2.275,1046 6.155,1047 7.395,1049 11.919,1050 6.101,1051 9.971,1052 0.429,1053 12.231,1054 2.136,1055 7.674,1056 9.395,1057 1.614,1058 14.452,1059 7.597,1060 11.336,1061 0.238,1062 13.982,1063 0.622,1064 8.36,1065 10.17,1067 16.408,1068 8.289,1069 12.718,1070 -0.361,1071 15.749,1072 0.36,1073 9.626,1074 11.897,1075 1.674,1076 18.75,1077 9.539,1078 2.96,1079 -0.58,1080 17.528,1081 -0.841,1082 10.503,1083 12.894,1085 20.845,1086 10.418,1087 2.859,1088 9.343,1089 19.315,1090 -1.328,1091 11.655,1092 14.468,1093 1.758,1094 23.111,1095 11.558,1096 2.651,1097 9.063,1098 21.109,1099 3.927,1100 12.626,1101 15.598,1103 25.268,1104 12.527,1105 2.319,1106 8.33,1107 22.907,1108 3.729,1109 13.727,1110 17.082,1111 1.859,1112 27.503,1113 13.618,1114 1.897,1115 6.683,1116 24.708,1117 3.505,1118 14.744,1119 18.294,1121 29.69,1122 14.63,1123 1.563,1124 4.79,1125 26.512,1126 2.846,1127 15.823,1128 19.724,1129 1.973,1130 31.913,1131 15.701,1132 1.339,1133 4.119,1134 28.318,1135 2.716,1136 16.864,1137 20.987,1139 34.114,1140 16.735,1141 8062,1142 13288,1143 18.781,1144 31.779,1145 40.862,1146 42.162,1147 42.18,1148 40.63,1149 40.748,1150 54.667,1151 4.827,1152 111.602,1153 39.825,1154 5.172,1155 5.589,1156 6.032,1157 4.986,1158 4.96,1159 6.927,1160 2.162,1161 15.833,1162 4.936,1163 11.333,1164 1.459,1165 1.506,1166 1.506,1167 1.451,1168 1.455,1169 1.952,1170 0.172,1171 3.986,1172 1.422,1173 4.017,1174 4.044,1175 3.965,1176 3.951,1177 7.429,1178 3.951,1179 3.926,1180 3.954,1181 3.867,1182 3.857,1183 5.018,1184 3.856,1185 3.747,1186 3.783,1187 3.688,1188 3.639,1189 4.927,1190 3.645,1191 3.53,1192 3.599,1193 3.418,1194 3.333,1195 4.85,1196 3.344,1197 3.236,1198 3.304,1199 3.131,1200 2.99,1201 4.646,1202 3.018,1203 3.213,1204 3.272,1205 3.036,1206 2.953,1207 4.379,1208 2.96,1209 2.878,1210 2.957,1211 2.723,1212 2.735,1213 3.98,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.778,1220 2.715,1221 0.153,1222 0.128,1223 0.223,1224 0.141,1225 0.106,1226 4.292,1227 0.14,1228 3.589,1229 0.039,1230 6.23,1231 0.334,1232 3.951,1233 0.105,1234 2.96,1235 3.927,1236 1.081,1237 9.343,1238 2.936,1239 1.979,1240 1.957,1241 2.07,1242 2.064,1243 1.22,1244 2.067,1245 1.915,1246 1.89,1247 2.026,1248 2.013,1249 1.162,1250 2.019,1251 1.718,1252 1.683,1253 1.838,1254 1.853,1255 0.876,1256 1.85,1257 1.484,1258 1.418,1259 1.715,1260 1.722,1261 0.837,1262 1.726,1263 1.187,1264 1.112,1265 1.564,1266 1.498,1267 0.571,1268 1.521,1269 1.107,1270 1.065,1271 1.294,1272 1.413,1273 0.279,1274 1.381,1275 0.886,1276 0.821,1277 1.181,1278 1.085,1279 0.218,1280 1.107,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.043,1289 5.323,1291 6.812,1293 8.385,1295 9.997,1297 1.611,1301 5.861,1303 0.3,1305 2.98,1306 5.236,1308 -0.28,1314 30.235,1315 69.833,1316 157.807,1317 203.092,1318 232.311,1319 236.311,1320 236.311,1321 44.555,1322 6.965,1323 77.24,1324 77.24,1325 18,1326 12.221,1327 4.322,1328 3.459,1329 44.504,1330 105,1331 100,1332 0.205,1333 189.131,1334 326.26,1335 453.239,1336 9556,1338 18.355,1339 0.706,1340 0.56,1341 18.355,1342 14.554,1343 12.707,1344 0.454,1345 0.299,1346 8.259,1347 12.3,1348 8.046,1349 6.726,1350 12.707,1351 8.363,1352 10.655,1353 0.288,1354 0.158,1355 10.655,1356 5.852,1357 9.204,1358 0.192,1359 0.087,1360 9.204,1361 4.198,1362 7.285,1363 0.126,1364 0.047,1365 7.285,1366 2.737,1367 5.817,1368 0.082,1369 0.025,1370 5.817,1371 1.797,1372 0.327,1373 79.197,1374 0.231,1375 25.447,1376 0.548,1377 130,1378 370.761,1379 139.228,1380 362.236,1381 493.23,1382 340,1383 150,1384 354.689,1385 158.842,1386 364.563,1387 524.71,1388 342,1389 5.1}
{0 CHEMBL1976328,1 1.574,2 11.464,3 5.018,4 25.183,5 116.937,6 8.094,7 0.71,8 3.971,9 4.088,10 3.66,11 3.609,12 5.126,13 3.566,14 4.436,15 4.586,16 4.021,17 4.005,18 5.581,19 3.932,20 4.652,21 4.821,22 4.04,23 4.112,24 5.737,25 4.02,26 4.759,27 4.977,28 3.991,29 4.089,30 5.809,31 3.977,32 4.692,33 4.892,34 3.858,35 3.982,36 5.843,37 3.88,38 4.695,39 4.959,40 3.735,41 3.869,42 5.719,43 3.733,44 4.424,45 4.651,46 3.453,47 3.649,48 5.495,49 3.532,50 4.242,51 4.48,52 3.45,53 3.547,54 5.232,55 3.444,56 0.055,57 0.708,58 9.39,59 4.033,60 8.766,61 5.072,62 0.19,63 1.093,64 15.989,65 7.341,66 19.962,67 9.437,68 0.151,69 1.347,70 21.621,71 8.777,72 24.066,73 10.963,74 0.128,75 1.45,76 28.086,77 10.958,78 27.629,79 13.933,80 0.247,81 1.369,82 23.702,83 8.711,84 43.777,85 10.614,86 0.227,87 1.315,88 28.981,89 10.326,90 44.525,91 13.245,92 0.29,93 1.02,94 20.966,95 7.011,96 46.823,97 8.298,98 0.137,99 0.85,100 15.826,101 6.231,102 17.51,103 8.553,104 17,105 44,106 0.263,107 0.586,108 0.692,109 0.794,110 0.811,111 0.818,112 3.374,113 0.936,114 -5.25,115 -5.14,116 -4.81,119 45.8,120 2,142 10,143 5,144 2,147 1,152 1,159 1,163 1,164 1,165 1,172 15,175 1,177 1,178 3,179 1,180 5,183 20,185 1,188 2,193 5,196 15,198 1,200 7,205 11,208 10,210 3,213 6,218 8,221 4,223 3,225 6,230 8,233 6,235 2,238 1,243 2,246 8,250 2,253 1,254 1,255 3,257 1,258 12,264 1,269 1,272 10,276 1158,277 18.756,278 18.756,279 18.756,280 18.756,281 18.756,282 15.938,283 19.736,284 10.967,285 19.03,286 15.331,287 15.331,288 15.331,289 15.331,290 15.331,291 11.106,292 29.077,293 5.241,294 15.747,295 4.011,296 2.082,297 1.448,298 0.839,299 0.74,300 0.698,301 4.07,305 1,306 1,307 702,308 3.082,311 66.089,312 274.576,315 123.892,319 1.969,320 18.887,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 59,332 321,333 4.661,334 3.564,335 6.879,336 4.2,337 3.223,338 4.621,339 1.656,340 11.471,341 3.148,342 4.182,343 3.24,344 5.887,345 3.791,346 2.809,347 3.819,348 0.247,349 8.188,350 2.759,351 4.073,352 2.882,353 5.718,354 3.65,355 2.674,356 3.693,358 8.066,359 2.602,360 3.772,361 2.672,362 5.444,363 3.414,364 2.442,365 3.124,367 7.237,368 2.36,369 3.498,370 2.351,371 5.011,372 3.111,373 2.133,374 2.787,376 6.012,377 2.077,378 3.344,379 2.147,380 4.951,381 2.879,382 1.913,383 2.702,385 5.404,386 1.879,387 3.232,388 2.133,389 4.618,390 2.856,391 1.879,392 2.481,394 4.963,395 1.8,396 3.154,397 1.983,398 4.576,399 2.722,400 1.728,401 2.366,403 4.747,404 1.704,405 2.95,406 1.535,407 4.414,408 2.441,409 1.469,410 2.135,412 4.113,413 1.412,414 2.631,415 1.185,416 3.817,417 2.137,418 1.157,419 1.692,421 2.803,422 1.132,423 2.5,424 1,425 3.414,426 2,427 1,428 1.5,430 2.275,431 1,432 2.174,433 0.781,434 3.327,435 1.682,436 0.721,437 1.031,439 1.751,440 0.684,441 1.35,442 0.627,443 2.985,444 1.041,445 0.088,446 0.104,448 0.238,449 0.083,450 1.189,451 0.286,452 2.594,453 0.781,454 -0.22,455 -0.289,457 -0.58,458 -0.217,459 1,460 -0.11,461 2.382,462 0.653,463 -0.347,464 -0.445,466 -0.891,467 -0.347,468 13.767,469 0.492,470 0.767,471 0.027,472 40.25,473 1.438,474 23,475 0.821,476 17.25,477 0.616,478 20.801,479 0.743,480 28.233,481 0.588,482 28.959,483 1.034,484 7.893,485 0.282,486 5.599,487 0.2,488 0.126,490 0.363,496 0.844,497 1.028,498 0.735,499 0.829,500 0.779,501 0.792,502 0.361,503 0.896,504 0.684,505 0.827,506 0.428,507 0.843,508 1.079,509 1.14,510 1.014,511 1.062,512 1.028,513 1.088,514 0.82,515 1.164,516 0.949,517 1.087,518 0.671,519 1.004,520 1.708,521 1.122,522 1.138,523 1.048,524 1.685,525 1.155,526 1.119,527 0.93,528 0.878,529 0.877,530 1.146,531 0.847,532 2.051,533 0.863,534 1.232,535 0.878,536 2.202,537 0.972,538 0.519,539 0.875,540 0.603,541 0.839,542 0.551,543 0.862,544 6.5,545 0.122,546 2.667,547 2.597,548 1.319,549 0.959,550 0.451,551 0.339,552 0.244,553 0.202,554 10900,555 28645,556 2.094,557 41.7,558 6,559 10,562 4,567 1.704,568 1.953,569 3.449,570 1.627,577 75.532,578 1.574,579 3.503,580 4.137,581 4.746,582 4.845,583 4.887,584 2.824,585 4.111,586 4.783,587 3.71,588 1402.5,589 8.281,590 19285.8,592 1,595 268.078,596 1.432,597 4.736,598 0.21,599 0.006,600 0.061,601 0.06,602 0.032,603 0.028,604 0.015,605 0.015,606 0.01,607 0.009,608 0.446,609 0.17,610 1,611 0.573,612 142.709,613 -0.073,614 0.052,615 0.058,616 0.069,617 -0.153,618 0.078,619 0.37,620 0.117,621 0.145,622 0.102,623 0.197,624 0.082,625 -0.145,626 -0.121,627 -0.135,628 -0.13,629 -0.162,630 -0.168,631 0.049,632 -0.203,633 0.034,634 -0.096,635 0.159,636 -0.01,637 -0.31,638 -0.099,639 -0.252,640 -0.162,641 -0.224,642 -0.253,643 -0.001,644 0.004,645 0.154,646 0.114,647 0.061,648 0.178,649 -0.437,650 0.14,651 -0.233,652 0.065,653 -0.423,654 -0.035,655 0.271,656 0.044,657 0.227,658 0.064,659 0.175,660 0.142,661 1.939,662 5.298,663 0.75,664 27.214,665 0.997,666 1.113,667 4.019,668 16.151,669 0.713,670 3.466,671 3.807,672 4.06,673 4.369,674 4.522,675 4.564,676 4.625,677 4.779,678 4.754,679 4.844,680 7.235,681 0.671,682 388.53,683 3.466,684 5.017,685 5.866,686 6.756,687 7.618,688 8.511,689 9.379,690 10.273,691 11.145,692 12.04,693 8.3,697 1,700 2,703 1,708 2,709 10,710 1,713 1,714 7,716 22,727 1,735 48,737 23,738 3,739 31,741 51,742 22,743 19,744 8,745 10,748 4,749 5,753 1,754 2,762 20,763 2,767 1,772 1,776 1,783 20,784 5,785 4,786 6,787 1,790 1,792 4,797 0.75,798 1,815 1,816 3,819 1,843 3,845 1,847 2,851 28,852 1,860 2,874 2.1,877 1,881 14.333,882 9.2,883 6.028,884 2.694,886 4.13,887 1.54,888 1.035,889 5.117,890 11.782,891 3.784,892 4.446,893 5.049,894 5.702,895 6.206,896 6.489,897 6.875,898 7.331,899 7.523,900 7.892,901 1,902 43,903 10.301,905 4.37,906 7.696,907 19.69,909 16.153,911 2.196,912 61.5,915 1,916 188.338,917 171.643,918 83.895,920 25.145,922 31.052,923 140.591,924 213.483,925 83.895,926 17.65,927 36.022,928 127.66,929 40.121,930 20.829,931 7.35,932 219.39,934 188.338,935 224.486,936 25.145,937 31.052,939 188.338,940 25.145,943 53.672,944 155.838,945 14.976,946 31.052,947 188.338,948 109.04,949 171.643,952 188.338,953 59.23,954 112.413,955 36.022,956 73.018,957 188.338,958 109.04,959 171.643,961 0.587,962 0.336,963 0.193,964 0.098,965 22,966 10,967 0.059,968 3,969 1,970 1.095,971 4.031,972 240.633,973 0.095,974 21,975 124.606,977 1,981 18.603,982 7.702,983 4.085,984 2.033,985 109.04,986 19.692,987 4.245,990 1.397,991 6.318,993 68.919,994 469.02,995 43,1000 12.298,1004 -0.272,1007 47.88,1008 53.444,1009 0.282,1010 0.627,1011 0.741,1012 0.85,1013 0.868,1014 0.875,1015 5.014,1016 1.728,1017 5.861,1018 4.963,1019 4.489,1020 5.133,1021 1.758,1022 6.671,1023 4.438,1024 6.249,1025 1.469,1026 7.415,1027 4.747,1028 4.111,1029 4.997,1030 1.195,1031 7.548,1032 4.038,1033 7.567,1034 1.157,1035 9.065,1036 4.113,1037 6.08,1038 7.397,1039 2.415,1040 10.663,1041 5.982,1042 8.92,1043 1,1044 10.772,1045 2.803,1046 6.479,1047 8.07,1048 2.324,1049 12.416,1050 6.355,1051 10.301,1052 0.721,1053 12.518,1054 2.275,1055 7.946,1056 9.96,1057 3.244,1058 15.064,1059 7.803,1060 11.705,1061 0.088,1062 14.294,1063 1.751,1064 8.726,1065 11.05,1066 3.407,1067 17.216,1068 8.556,1069 13.128,1070 -0.22,1071 16.094,1072 0.238,1073 9.988,1074 12.719,1075 4.156,1076 19.713,1077 9.801,1078 3.223,1079 -0.347,1080 17.915,1081 -0.58,1082 10.958,1083 14.025,1084 4.464,1085 22.036,1086 10.744,1087 2.809,1088 11.471,1089 19.753,1090 -0.891,1091 12.138,1092 15.6,1093 5.111,1094 24.487,1095 11.906,1096 2.674,1097 8.188,1098 21.605,1099 4.621,1100 13.201,1101 17.016,1102 5.504,1103 26.879,1104 12.943,1105 2.442,1106 8.066,1107 23.469,1108 3.819,1109 14.354,1110 18.553,1111 6.091,1112 29.319,1113 14.076,1114 2.133,1115 7.237,1116 25.344,1117 3.693,1118 15.462,1119 20.023,1120 6.531,1121 31.739,1122 15.159,1123 1.913,1124 6.012,1125 27.228,1126 3.124,1127 16.609,1128 21.548,1129 7.083,1130 34.177,1131 16.284,1132 1.879,1133 5.404,1134 29.119,1135 2.787,1136 17.74,1137 23.045,1138 7.551,1139 36.608,1140 17.392,1141 10265,1142 16821,1143 20.69,1144 34.216,1145 47.055,1146 47.567,1147 48.276,1148 46.435,1149 46.473,1150 64.112,1151 3.806,1152 134.532,1153 45.286,1154 5.529,1155 5.564,1156 6.408,1157 5.249,1158 5.223,1159 7.621,1160 2.912,1161 18.697,1162 5.148,1163 13.995,1164 1.518,1165 1.534,1166 1.557,1167 1.498,1168 1.499,1169 2.068,1170 0.123,1171 4.34,1172 1.461,1173 4.105,1174 4.12,1175 4.314,1176 4.089,1177 7.431,1178 4.062,1179 3.954,1180 3.986,1181 3.91,1182 3.888,1183 5.186,1184 3.884,1185 3.839,1186 3.869,1187 3.836,1188 3.784,1189 4.794,1190 3.768,1191 3.447,1192 3.493,1193 3.467,1194 3.25,1195 4.737,1196 3.242,1197 3.335,1198 3.399,1199 3.33,1200 3.158,1201 4.611,1202 3.18,1203 3.266,1204 3.35,1205 3.067,1206 3.125,1207 4.179,1208 3.101,1209 3.055,1210 3.125,1211 3.044,1212 2.946,1213 4.039,1214 2.929,1215 2.915,1216 2.965,1217 2.866,1218 2.765,1219 3.966,1220 2.756,1221 0.15,1222 0.115,1223 0.222,1224 0.135,1225 0.104,1226 4.661,1227 0.149,1228 3.564,1229 0.053,1230 6.879,1231 0.37,1232 4.2,1233 0.102,1234 3.223,1235 4.621,1236 1.656,1237 11.471,1238 3.148,1239 2.01,1240 1.995,1241 2.08,1242 2.069,1243 1.243,1244 2.076,1245 1.937,1246 1.909,1247 2.055,1248 2.025,1249 1.183,1250 2.036,1251 1.779,1252 1.755,1253 1.876,1254 1.87,1255 0.99,1256 1.877,1257 1.321,1258 1.277,1259 1.639,1260 1.596,1261 0.719,1262 1.564,1263 1.303,1264 1.227,1265 1.494,1266 1.538,1267 0.526,1268 1.557,1269 1.281,1270 1.226,1271 1.418,1272 1.507,1273 0.391,1274 1.529,1275 1.033,1276 0.981,1277 1.282,1278 1.26,1279 0.291,1280 1.284,1281 0.941,1282 0.909,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.143,1289 5.476,1290 2.398,1291 6.993,1292 4.727,1293 8.598,1294 6.823,1295 10.252,1297 4.01,1301 6.039,1305 5.74,1314 32.202,1315 75.532,1316 168.13,1317 198.594,1318 227.814,1319 232.568,1320 234.568,1321 39.923,1322 7.652,1323 80.04,1324 108.28,1325 23,1326 12.57,1327 4.585,1328 3.7,1329 42.768,1330 125,1331 96,1332 0.168,1333 202.331,1334 338.38,1335 485.449,1336 23921,1338 19.673,1339 0.703,1340 0.587,1341 20.027,1342 16.431,1343 13.491,1344 0.435,1345 0.312,1346 8.897,1347 12.738,1348 8.517,1349 7.143,1350 13.945,1351 9.674,1352 12.628,1353 0.287,1354 0.172,1355 13.179,1356 7.584,1357 10.045,1358 0.176,1359 0.093,1360 10.78,1361 5.283,1362 9.185,1363 0.118,1364 0.052,1365 9.964,1366 4.063,1367 6.767,1368 0.074,1369 0.027,1370 7.393,1371 2.465,1372 0.271,1373 87.625,1374 0.22,1375 27.11,1376 0.443,1377 150,1378 394.219,1379 181.574,1380 418.617,1381 581.07,1382 390,1383 176,1384 423.012,1385 205.312,1386 454.383,1387 656.97,1388 426,1389 5.1}
{0 CHEMBL1976420,1 1.448,2 8.048,3 3.04,4 9.244,5 82.939,6 7.035,7 0.696,8 3.776,9 3.902,10 3.295,11 3.335,12 4.863,13 3.301,14 4.293,15 4.474,16 3.692,17 3.728,18 5.349,19 3.682,20 4.534,21 4.725,22 3.738,23 3.863,24 5.614,25 3.79,26 4.621,27 4.854,28 3.635,29 3.887,30 5.579,31 3.773,32 4.623,33 4.884,34 3.423,35 3.801,36 5.506,37 3.648,38 4.44,39 4.725,40 3.218,41 3.593,42 5.267,43 3.432,44 4.166,45 4.422,46 3.071,47 3.36,48 5.083,49 3.22,50 4.051,51 4.305,52 2.948,53 3.207,54 4.953,55 3.088,56 0.043,57 0.583,58 8.697,59 3.643,60 10.78,61 4.971,62 0.099,63 0.934,64 15.467,65 6.101,66 16.792,67 8.543,68 0.238,69 1.133,70 20.483,71 7.556,72 35.686,73 10.403,74 0.179,75 1.202,76 22.684,77 8.359,78 30.673,79 12.055,80 0.21,81 1.165,82 23.296,83 8.26,84 31.818,85 12.161,86 0.149,87 0.949,88 19.598,89 7.1,90 24.421,91 10.593,92 0.148,93 0.729,94 14.595,95 5.364,96 20.05,97 7.873,98 0.129,99 0.631,100 13.21,101 4.528,102 16.778,103 6.519,104 21,105 34,106 0.257,107 0.623,108 0.728,109 0.791,110 0.8,111 0.8,112 3.104,113 0.933,114 -3.46,115 -3.44,116 -3.28,119 42.5,120 3,121 1,130 1,142 4,143 3,145 2,146 1,152 1,161 1,172 8,175 1,178 1,180 5,183 11,187 1,188 2,191 1,193 5,196 10,200 4,205 5,208 9,213 5,218 2,221 7,225 4,233 3,238 2,242 1,243 3,246 3,255 1,258 2,264 4,267 2,269 1,272 2,276 527,277 13.911,278 13.911,279 13.911,280 13.911,281 13.911,282 12.131,283 9.966,284 7.94,285 14.135,286 11.288,287 11.288,288 11.288,289 11.288,290 11.288,291 8.537,292 11.206,293 3.641,294 11.674,295 3.874,296 1.808,297 1.213,298 0.857,299 0.807,300 0.807,301 3.779,304 1,305 1,306 1,307 359,308 3.162,311 42.269,312 116.979,315 83.199,319 1.293,320 15.628,321 1,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 44.5,332 169,333 4.67,334 3.701,335 7.112,336 4.291,337 3.322,338 4.607,339 0.765,340 11.665,341 3.215,342 4.432,343 3.308,344 6.852,345 4.202,346 3.233,347 3.851,349 11.419,350 3.131,351 3.946,352 2.571,353 5.986,354 3.536,355 2.561,356 3.38,358 8.41,359 2.497,360 3.401,361 2.154,362 5.182,363 2.976,364 2.008,365 2.736,367 5.968,368 1.939,369 3.135,370 1.813,371 4.707,372 2.685,373 1.726,374 2.4,376 5.007,377 1.653,378 2.915,379 1.491,380 4.391,381 2.417,382 1.469,383 2.079,385 3.927,386 1.387,387 2.635,388 1.246,389 3.616,390 2.156,391 1.195,392 1.691,394 2.854,395 1.145,396 2.5,397 1,398 3.551,399 2,400 1,401 1.5,403 2.275,404 1,405 2.223,406 0.963,407 3.414,408 1.824,409 0.871,410 1.133,412 2.037,413 0.828,414 1.489,415 0.234,416 2.859,417 1.178,418 0.222,419 0.276,421 0.367,422 0.212,423 0.962,424 -0.226,425 2.663,426 0.606,427 -0.378,428 -0.479,430 -0.892,431 -0.372,432 0.675,433 -0.49,434 2.355,435 0.171,436 -0.783,437 -1,439 -1.824,440 -0.742,441 0.563,442 -0.71,443 2.158,444 0.064,445 -0.876,446 -1,448 -2.106,449 -0.821,450 0.5,451 -0.845,452 2,454 -1,455 -1.046,457 -3,458 -0.86,459 0.146,460 -1,461 2,463 -1,464 -1.259,466 -3,467 -1,468 10.033,469 0.478,470 0.669,471 0.032,472 27.25,473 1.298,474 14,475 0.667,476 13.25,477 0.631,478 17.088,479 0.814,480 22.367,481 0.559,482 17.794,483 0.847,484 5.067,485 0.241,486 4.936,487 0.235,488 0.183,489 0.05,490 0.299,496 0.971,497 1.236,498 0.865,499 1.027,500 1.06,501 0.95,502 0.781,503 1.085,504 0.722,505 0.939,506 0.696,507 0.84,508 1.381,509 1.09,510 1.064,511 1.036,512 1.509,513 1.031,514 0.971,515 1.088,516 1.045,517 1.066,518 0.871,519 1.062,520 0.952,521 1.019,522 1.121,523 1.054,524 0.845,525 1.093,526 0.626,527 0.935,528 0.914,529 0.952,530 0.536,531 0.957,532 0.646,533 1.058,534 0.974,535 1.085,536 0.7,537 1.068,538 1.292,539 0.915,540 1.056,541 0.983,542 1.272,543 0.985,544 5,545 0.06,546 3.111,547 2.014,548 1.174,549 0.733,550 0.358,551 0.312,552 0.326,553 0.095,554 4036,555 9637,556 2.034,557 47.5,558 5,559 4,561 2,562 2,564 6,567 1.633,568 1.867,569 2.997,570 0.284,571 1,572 1,574 1,577 57.925,578 1.448,579 3.514,580 4.109,581 4.465,582 4.515,583 4.515,584 2.47,585 3.975,586 4.364,587 3.177,588 667.176,589 7.48,590 6919.38,591 1,592 1,593 1,594 1,595 212.877,596 1.691,597 4.295,598 0.217,599 0.01,600 0.092,601 0.059,602 0.039,603 0.032,604 0.019,605 0.019,606 0.023,607 0.009,608 0.519,609 0.67,610 1,611 0.988,612 93.63,613 -0.081,614 -0.073,615 0.031,616 0.03,617 -0.194,618 0.039,619 0.103,620 0.004,621 0.21,622 0.082,623 0.144,624 0.146,625 -0.083,626 -0.04,627 -0.093,628 -0.045,629 -0.135,630 -0.076,631 -0.094,632 -0.08,633 -0.092,634 -0.079,635 -0.051,636 -0.083,637 -0.126,638 -0.042,639 -0.156,640 -0.088,641 -0.102,642 -0.118,643 0.007,645 0.048,646 0.022,647 0.032,648 0.04,649 0.144,650 -0.096,651 -0.014,652 -0.105,653 0.057,654 -0.081,655 -0.116,656 0.045,657 -0.058,658 -0.027,659 -0.108,660 -0.027,661 2.074,662 4.038,663 0.714,664 15.537,665 0.993,666 1.126,667 2.227,668 4.959,669 0.664,670 3.178,671 3.555,672 3.829,673 4.094,674 4.304,675 4.407,676 4.533,677 4.595,678 4.615,679 4.554,680 5.059,681 0.625,682 281.39,683 3.178,684 4.745,685 5.609,686 6.518,687 7.404,688 8.315,689 9.209,690 10.121,691 11.019,692 11.931,693 7.5,701 1,703 2,708 2,709 6,710 2,711 1,714 4,716 16,735 40,737 16,738 1,739 23,741 42,742 17,743 12,744 2,745 4,748 3,749 4,754 3,760 1,762 12,763 5,764 1,779 1,780 1,783 19,784 3,785 2,786 4,792 3,797 0.667,798 1,801 1,806 1,811 1,815 1,816 2,819 1,841 1,843 2,847 3,851 21,857 1,858 1,865 1,874 2.5,875 1,881 11.25,882 8.1,883 4.528,884 2.513,886 3.189,887 1.465,888 0.942,889 3.361,890 10.041,891 3.466,892 4.139,893 4.799,894 5.444,895 6.009,896 6.386,897 6.853,898 7.266,899 7.548,900 7.856,901 1,902 34,903 7.749,905 3.285,906 7.655,907 14.918,909 12.314,911 2.155,912 45.25,913 0.001,916 200.109,917 101.183,918 50.357,920 42.683,923 101.183,924 242.792,925 50.357,926 26.476,927 2.535,928 80.588,929 58.829,930 46.581,931 2.757,932 176.567,934 200.109,935 151.539,936 42.683,939 129.482,940 70.627,941 42.683,943 67.75,944 50.218,945 33.571,947 200.109,948 93.04,949 101.183,952 200.109,953 18.707,954 82.475,955 16.786,956 76.254,957 200.109,958 93.04,959 101.183,961 0.595,962 0.349,963 0.186,964 0.099,965 18,966 8,967 0.071,968 3,969 1,970 1.133,971 3.23,972 165.907,973 0.133,974 15,975 86.239,981 13.934,982 5.065,983 2.483,984 1.748,985 76.254,986 11.382,987 8.756,988 3.353,991 4.214,993 59.469,994 394.332,995 31,1007 39.702,1008 45.026,1009 0.272,1010 0.66,1011 0.772,1012 0.839,1013 0.848,1014 0.848,1015 4.718,1016 1,1017 5.659,1018 2.854,1019 4.234,1020 4.824,1021 0.775,1022 6.561,1023 4.169,1024 5.979,1025 0.871,1026 7.287,1027 2.275,1028 4.111,1029 4.783,1031 7.84,1032 4.008,1033 7.33,1034 0.222,1035 9.029,1036 2.037,1037 5.974,1038 7.14,1039 0.521,1040 10.867,1041 5.848,1042 8.723,1043 -0.378,1044 10.837,1045 0.367,1046 6.648,1047 7.916,1049 12.906,1050 6.484,1051 10.148,1052 -0.783,1053 12.687,1054 -0.892,1055 8.062,1056 9.776,1057 0.336,1058 15.53,1059 7.872,1060 11.597,1061 -0.876,1062 14.563,1063 -1.824,1064 9.049,1065 10.937,1067 17.83,1068 8.823,1069 13.062,1070 -1,1071 16.457,1072 -2.106,1073 10.311,1074 12.591,1075 0.21,1076 20.333,1077 10.056,1078 3.322,1079 -1,1080 18.363,1081 -3,1082 11.421,1083 13.939,1085 22.725,1086 11.131,1087 3.233,1088 11.665,1089 20.278,1090 -3,1091 12.631,1092 15.507,1093 0.128,1094 25.189,1095 12.31,1096 2.561,1097 11.419,1098 22.201,1099 4.607,1100 13.788,1101 16.944,1103 27.615,1104 13.433,1105 2.008,1106 8.41,1107 24.128,1108 3.851,1109 14.982,1110 18.479,1111 0.077,1112 30.067,1113 14.595,1114 1.726,1115 5.968,1116 26.06,1117 3.38,1118 16.157,1119 19.96,1121 32.506,1122 15.737,1123 1.469,1124 5.007,1125 27.995,1126 2.736,1127 17.347,1128 21.483,1129 0.046,1130 34.955,1131 16.894,1132 1.195,1133 3.927,1134 29.932,1135 2.4,1136 18.53,1137 22.985,1139 37.398,1140 18.044,1141 4013,1142 6295,1143 14.909,1144 26.563,1145 35.738,1146 35.03,1147 36.403,1148 35.228,1149 35.213,1150 47.307,1151 1.529,1152 107.859,1153 34.014,1154 5.374,1155 5.701,1156 6.793,1157 5.36,1158 5.322,1159 7.607,1160 1.529,1161 19.023,1162 5.215,1163 11.234,1164 1.554,1165 1.523,1166 1.583,1167 1.532,1168 1.531,1169 2.057,1170 0.066,1171 4.69,1172 1.479,1173 4.135,1174 4.176,1175 4.106,1176 4.025,1177 6.449,1178 4.038,1179 3.891,1180 3.922,1181 3.831,1182 3.801,1183 5.122,1184 3.807,1185 3.537,1186 3.591,1187 3.426,1188 3.391,1189 4.704,1190 3.391,1191 3.449,1192 3.525,1193 3.281,1194 3.295,1195 4.32,1196 3.282,1197 3.22,1198 3.303,1199 3.062,1200 3.031,1201 4.119,1202 3.026,1203 2.874,1204 3.009,1205 2.687,1206 2.735,1207 3.962,1208 2.715,1209 2.854,1210 2.925,1211 2.625,1212 2.618,1213 3.876,1214 2.57,1215 2.721,1216 2.818,1217 2.548,1218 2.582,1219 3.674,1220 2.568,1221 0.203,1222 0.161,1223 0.309,1224 0.187,1225 0.144,1226 4.67,1227 0.2,1228 3.701,1229 0.033,1230 7.112,1231 0.507,1232 4.291,1233 0.14,1234 3.322,1235 4.607,1236 0.765,1237 11.665,1238 3.215,1239 1.957,1240 1.935,1241 2.064,1242 2.04,1243 1.231,1244 2.048,1245 1.809,1246 1.766,1247 1.92,1248 1.985,1249 1.115,1250 1.959,1251 1.628,1252 1.576,1253 1.813,1254 1.812,1255 0.894,1256 1.824,1257 1.469,1258 1.404,1259 1.743,1260 1.662,1261 0.771,1262 1.695,1263 1.175,1264 1.096,1265 1.417,1266 1.43,1267 0.482,1268 1.429,1269 0.954,1270 0.897,1271 1.389,1272 1.239,1273 0.469,1274 1.308,1275 0.934,1276 0.821,1277 1.188,1278 1.111,1279 0.288,1280 1.143,1281 0.886,1282 0.804,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 3.85,1289 5.209,1290 2.398,1291 6.767,1292 4.844,1293 8.407,1294 7.05,1295 10.087,1297 5.693,1302 10.038,1303 0.89,1310 -0.824,1314 24.993,1315 57.925,1316 140.559,1317 164.348,1318 178.612,1319 180.612,1320 180.612,1321 31.387,1322 6.852,1323 61.8,1324 61.8,1325 17,1326 12.448,1327 4.087,1328 3.17,1329 32.17,1330 63,1331 54,1332 0.258,1333 155.547,1334 256.19,1335 371.296,1336 7362,1338 15.035,1339 0.716,1340 0.596,1341 15.035,1342 12.513,1343 10.003,1344 0.435,1345 0.311,1346 7.088,1347 9.74,1348 6.79,1349 5.698,1350 10.003,1351 7.153,1352 9.658,1353 0.284,1354 0.168,1355 9.658,1356 5.722,1357 7.716,1358 0.171,1359 0.084,1360 7.716,1361 3.763,1362 6.495,1363 0.11,1364 0.044,1365 6.495,1366 2.598,1367 5.144,1368 0.07,1369 0.023,1370 5.144,1371 1.679,1372 0.394,1373 61.837,1374 0.259,1375 20.48,1376 0.742,1377 114,1378 281.773,1379 122.319,1380 281.859,1381 396.66,1382 264,1383 136,1384 305.213,1385 144.405,1386 313.202,1387 459.37,1388 295,1389 5.5}
{0 CHEMBL1976455,1 1.905,2 9.583,3 1.889,4 3.57,5 78.386,6 9.803,7 0.654,8 3.689,9 3.796,10 3.454,11 3.186,12 5.037,13 3.248,14 4.182,15 4.314,16 3.902,17 3.523,18 6.065,19 3.584,20 4.327,21 4.495,22 3.835,23 3.607,24 5.752,25 3.647,26 4.371,27 4.56,28 3.77,29 3.514,30 5.86,31 3.559,32 4.287,33 4.473,34 3.712,35 3.389,36 5.786,37 3.457,38 4.204,39 4.388,40 3.732,41 3.258,42 5.921,43 3.347,44 4.087,45 4.276,46 3.492,47 3.168,48 5.628,49 3.251,50 3.967,51 4.146,52 3.47,53 3.076,54 5.916,55 3.129,56 0.254,57 0.778,58 3.155,59 2.596,60 34.531,61 2.305,62 0.883,63 1.474,64 7.185,65 4.262,66 133.029,67 3.829,68 0.63,69 1.249,70 9.813,71 4.947,72 70.949,73 4.781,74 0.865,75 1.242,76 13.018,77 5.632,78 115.069,79 5.398,80 0.785,81 1.092,82 12.426,83 4.937,84 108.718,85 4.828,86 0.797,87 1.06,88 11.361,89 4.022,90 81.203,91 4.256,92 0.755,93 0.998,94 11.124,95 4.194,96 114.329,97 3.585,98 0.854,99 0.77,100 9.111,101 3.243,102 132.063,103 3.191,104 18,105 37,106 0.346,107 0.638,108 0.791,109 0.888,110 0.898,111 0.898,112 3.228,113 0.777,114 -2.97,115 -2.97,116 -2.87,119 44.1,132 1,142 4,143 2,144 1,145 4,146 1,147 1,159 1,172 4,175 3,178 3,179 1,180 2,183 5,187 1,188 2,191 1,193 1,196 3,199 1,200 3,203 2,205 4,208 2,212 1,213 1,216 1,218 2,221 1,224 1,225 4,228 1,230 2,238 4,243 1,249 1,250 3,263 1,264 3,276 836,277 15.764,278 15.764,279 15.764,280 15.764,281 15.764,282 13.638,283 16.178,284 9.306,285 16.308,286 12.872,287 12.872,288 12.872,289 12.872,290 12.872,291 9.692,292 22.484,293 4.459,294 13.811,295 3.182,296 1.574,297 0.728,298 0.199,299 0.14,300 0.14,301 3.907,304 1,305 1,306 1,307 488,308 3.674,312 201.03,316 104.452,319 1.451,320 44.446,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 56,332 230,333 4.591,334 4.461,335 7.123,336 4.223,337 3.339,338 4.48,339 3.825,340 11.736,341 3.062,342 4.293,343 3.569,344 6.505,345 3.938,346 2.997,347 3.581,348 1.656,349 10.192,350 2.72,351 3.962,352 3.035,353 5.513,354 3.557,355 2.615,356 3.475,357 0.247,358 7.454,359 2.455,360 3.623,361 2.536,362 5.241,363 3.188,364 2.233,365 2.973,367 6.475,368 2.12,369 3.324,370 2.178,371 4.709,372 2.848,373 1.867,374 2.588,376 5.064,377 1.82,378 3.097,379 1.914,380 4.628,381 2.607,382 1.686,383 2.322,385 4.835,386 1.523,387 2.854,388 1.519,389 4.073,390 2.349,391 1.399,392 1.993,394 3.414,395 1.324,396 2.8,397 1.404,398 3.576,399 2.309,400 1.344,401 1.919,403 2.996,404 1.281,405 2.5,406 1.05,407 3.4,408 1.916,409 1,410 1.5,412 2.192,413 0.915,414 2.36,415 1,416 3.247,417 1.878,418 0.906,419 1.292,421 2.136,422 0.877,423 1.373,424 0.584,425 2.929,426 1.006,427 0.072,428 0.088,430 0.192,431 0.067,432 1.176,433 0.51,434 2.793,435 0.744,436 -0.23,437 -0.304,439 -0.553,440 -0.22,441 0.933,442 0.51,443 2.386,444 0.438,445 -0.534,446 -0.753,448 -1.341,449 -0.515,450 0.775,451 0.27,452 2.318,453 0.309,454 -0.694,455 -0.994,457 -1.945,458 -0.688,459 0.5,460 -0.225,461 2.106,462 -0.012,463 -1,464 -1,466 -2.269,467 -0.7,468 10.69,469 0.445,470 0.74,471 0.031,472 35,473 1.458,474 18.5,475 0.771,476 16.5,477 0.688,478 14.469,479 0.603,480 25.91,481 0.762,482 27.169,483 1.132,484 7.263,485 0.303,486 4.169,487 0.174,488 0.111,489 0.047,490 0.281,493 3,496 0.648,497 1.042,498 0.564,499 0.997,500 0.61,501 0.821,502 0.436,503 0.758,504 0.662,505 0.925,506 0.407,507 0.938,508 0.778,509 0.905,510 0.913,511 1.018,512 0.672,513 1.029,514 1.109,515 1.056,516 1.136,517 1.098,518 1.079,519 1.116,520 1.09,521 1.038,522 1.011,523 1.07,524 1.111,525 1.017,526 0.864,527 0.776,528 0.831,529 0.927,530 1.014,531 0.909,532 1.527,533 1.262,534 1.23,535 0.989,536 1.527,537 0.93,538 0.765,539 0.752,540 1.031,541 0.767,542 0.797,543 0.954,544 6,545 0.099,546 2.667,547 1.563,548 1.338,549 0.986,550 0.549,551 0.38,552 0.132,553 0.158,554 6150,555 26051,556 2.03,557 29.4,559 4,561 4,562 2,567 1.67,568 1.882,569 3.238,570 0.42,572 1,574 1,577 64.787,578 1.905,579 3.514,580 4.359,581 4.889,582 4.948,583 4.948,584 2.685,585 4.022,586 4.557,587 3.405,588 939.779,589 7.871,590 11034.8,591 1,592 1,594 1,595 172.974,596 1.601,597 4.498,598 0.231,599 0.008,600 0.072,601 0.043,602 0.042,603 0.033,604 0.019,605 0.016,606 0.006,607 0.01,608 0.479,609 0.5,610 1,611 0.813,612 113.797,613 -0.091,614 -0.151,615 -0.003,616 -0.053,617 -0.108,618 0.009,619 0.41,620 0.275,621 0.058,622 0.024,623 0.407,624 -0.111,625 -0.112,626 -0.116,627 -0.097,628 -0.097,629 -0.038,630 -0.084,631 -0.17,632 -0.114,633 -0.152,634 -0.119,635 -0.141,636 -0.116,637 -0.167,638 -0.196,639 -0.006,640 -0.115,641 -0.153,642 -0.012,643 0.148,644 0.107,645 0.19,646 -0.005,647 0.035,648 0.043,649 -0.362,650 -0.194,651 -0.163,652 0.023,653 -0.316,654 0.065,655 0.342,656 0.265,657 -0.026,658 0.186,659 0.334,660 -0.029,661 5.733,662 4.975,663 0.667,664 18.972,665 1.056,666 1.158,667 1.741,668 3.032,669 0.687,670 3.296,671 3.638,672 3.829,673 4.06,674 4.304,675 4.357,676 4.431,677 4.466,678 4.466,679 4.466,680 5.831,681 0.708,682 333.3,683 3.296,684 4.844,685 5.673,686 6.555,687 7.407,688 8.292,689 9.153,690 10.04,691 10.907,692 11.795,693 14.7,700 2,703 3,708 2,709 8,710 3,714 3,716 17,735 34,737 18,738 1,739 26,741 36,742 15,743 13,744 3,745 3,748 3,749 4,753 1,754 1,759 1,762 14,763 1,767 1,772 1,776 1,779 1,780 1,781 3,783 10,784 9,785 2,786 9,792 5,797 0.667,798 1,806 1,809 1,816 3,820 1,843 2,849 3,851 24,860 2,865 1,873 3,874 2.9,877 1,881 12.75,882 6.112,883 5.139,884 1.786,886 3.251,887 1.464,888 1.007,889 4.217,890 10.263,891 3.597,892 4.22,893 4.777,894 5.379,895 5.975,896 6.226,897 6.591,898 6.914,899 7.215,900 7.221,901 1,902 36,903 9.283,905 4.447,906 8.51,907 15.634,909 12.408,911 3.01,912 72.25,916 94.169,917 99.117,918 86.378,920 25.145,921 44.88,923 99.117,924 119.314,925 131.258,927 36.022,928 37.905,929 122.586,930 91.729,931 6.604,932 47.084,933 7.76,934 94.169,935 185.495,936 70.025,939 94.169,940 70.025,943 82.115,944 53.024,945 50.357,947 139.049,948 111.523,949 99.117,952 101.928,953 17.263,954 74.095,955 36.022,956 120.382,957 94.169,958 156.403,959 99.117,961 0.589,962 0.321,963 0.167,964 0.095,965 18,966 8,967 0.056,968 2,969 1,970 1.125,971 3.567,972 192.239,973 0.125,974 16,975 103.284,981 16.004,982 6.324,983 3.738,984 0.516,985 156.403,986 10.131,987 11.662,991 -0.405,993 36.022,994 349.69,995 35.5,1000 11.975,1004 -0.652,1007 35.909,1008 39.381,1009 0.375,1010 0.691,1011 0.857,1012 0.961,1013 0.973,1014 0.973,1015 4.83,1016 1.344,1017 5.7,1018 3.414,1019 4.317,1020 4.905,1021 3.244,1022 6.535,1023 4.187,1024 6.067,1025 1,1026 7.283,1027 2.996,1028 4.111,1029 4.771,1030 3.949,1031 7.711,1032 3.815,1033 7.392,1034 0.906,1035 8.981,1036 2.192,1037 5.989,1038 7.141,1039 5.464,1040 10.705,1041 5.706,1042 8.753,1043 0.072,1044 10.751,1045 2.136,1046 6.567,1047 7.786,1048 6.701,1049 12.682,1050 6.108,1051 10.144,1052 -0.23,1053 12.567,1054 0.192,1055 7.993,1056 9.679,1057 8.065,1058 15.283,1059 7.525,1060 11.557,1061 -0.534,1062 14.416,1063 -0.553,1064 8.912,1065 10.725,1066 9.391,1067 17.551,1068 8.29,1069 12.988,1070 -0.694,1071 16.288,1072 -1.341,1073 10.174,1074 12.4,1075 10.736,1076 20.037,1077 9.511,1078 3.339,1079 -1,1080 18.177,1081 -1.945,1082 11.241,1083 13.662,1084 12.075,1085 22.412,1086 10.45,1087 2.997,1088 11.736,1089 20.079,1090 -2.269,1091 12.445,1092 15.233,1093 13.417,1094 24.866,1095 11.591,1096 2.615,1097 10.192,1098 21.992,1099 4.48,1100 13.577,1101 16.61,1102 14.758,1103 27.283,1104 12.614,1105 2.233,1106 7.454,1107 23.912,1108 3.581,1109 14.764,1110 18.135,1111 16.1,1112 29.729,1113 13.724,1114 1.867,1115 6.475,1116 25.839,1117 3.475,1118 15.926,1119 19.572,1120 17.441,1121 32.164,1122 14.788,1123 1.686,1124 5.064,1125 27.77,1126 2.973,1127 17.11,1128 21.078,1129 18.783,1130 34.61,1131 15.89,1132 1.399,1133 4.835,1134 29.706,1135 2.588,1136 18.286,1137 22.544,1138 20.124,1139 37.054,1140 16.974,1141 6027,1142 12555,1143 16.989,1144 23.341,1145 39.512,1146 39.328,1147 39.273,1148 39.077,1149 38.914,1150 52.423,1151 11.457,1152 113.369,1153 36.327,1154 5.458,1155 6.461,1156 6.925,1157 5.291,1158 5.339,1159 7.48,1160 5.335,1161 18.78,1162 5.062,1163 12.157,1164 1.52,1165 1.513,1166 1.51,1167 1.503,1168 1.497,1169 2.016,1170 0.441,1171 4.36,1172 1.397,1173 4.085,1174 4.113,1175 4.056,1176 4.008,1177 8.513,1178 4.015,1179 3.835,1180 3.894,1181 3.791,1182 3.638,1183 7.999,1184 3.669,1185 3.598,1186 3.639,1187 3.582,1188 3.433,1189 7.999,1190 3.451,1191 3.394,1192 3.443,1193 3.362,1194 3.093,1195 7.431,1196 3.151,1197 3.162,1198 3.213,1199 3.112,1200 2.923,1201 5.012,1202 2.956,1203 2.946,1204 3.014,1205 2.865,1206 2.755,1207 4.971,1208 2.773,1209 2.801,1210 2.861,1211 2.676,1212 2.644,1213 4.321,1214 2.647,1215 2.612,1216 2.719,1217 2.523,1218 2.311,1219 4.144,1220 2.348,1221 0.177,1222 0.172,1223 0.274,1224 0.162,1225 0.128,1226 4.591,1227 0.172,1228 4.461,1229 0.147,1230 7.123,1231 0.451,1232 4.223,1233 0.118,1234 3.339,1235 4.48,1236 3.825,1237 11.736,1238 3.062,1239 2.039,1240 2.016,1241 2.101,1242 2.133,1243 1.235,1244 2.123,1245 1.738,1246 1.682,1247 1.837,1248 1.956,1249 0.757,1250 1.925,1251 1.514,1252 1.478,1253 1.637,1254 1.71,1255 0.694,1256 1.676,1257 1.228,1258 1.179,1259 1.364,1260 1.548,1261 0.303,1262 1.49,1263 1.026,1264 0.982,1265 1.196,1266 1.305,1267 0.246,1268 1.25,1269 0.869,1270 0.817,1271 1.07,1272 1.12,1273 0.104,1274 1.109,1275 0.778,1276 0.726,1277 0.975,1278 0.991,1279 0.019,1280 1.008,1281 0.501,1282 0.401,1283 0.8,1284 0.857,1286 0.847,1287 3.97,1289 5.303,1291 6.828,1293 8.438,1295 10.093,1299 38.587,1305 4.921,1310 -4.483,1314 24.079,1315 64.787,1316 119.464,1317 148.219,1318 166.219,1319 168.219,1320 168.219,1321 51.848,1322 7.012,1323 79.8,1324 79.8,1325 18,1326 12.33,1327 4.248,1328 3.392,1329 39.219,1330 82,1331 86,1332 0.231,1333 147.691,1334 256.52,1335 352.126,1336 10017,1337 8.8,1338 17.156,1339 0.715,1340 0.5,1341 14.656,1342 12.003,1343 11.432,1344 0.44,1345 0.259,1346 6.56,1347 10.727,1348 6.52,1349 5.361,1350 10.22,1351 6.733,1352 11.072,1353 0.299,1354 0.129,1355 9.114,1356 4.758,1357 8.194,1358 0.182,1359 0.069,1360 7.231,1361 3.122,1362 6.744,1363 0.118,1364 0.036,1365 6.177,1366 2.065,1367 5.507,1368 0.075,1369 0.019,1370 5.148,1371 1.371,1372 0.359,1373 73.642,1374 0.243,1375 23.354,1376 0.644,1377 126,1378 615.67,1379 154.39,1380 513.307,1381 664.21,1382 474,1383 145,1384 462.186,1385 166.047,1386 447.451,1387 668.35,1388 419,1389 5.8}
{0 CHEMBL1976732,1 1.829,2 10.067,3 3.68,4 13.545,5 104.337,6 8.922,7 0.735,8 3.999,9 4.103,10 3.712,11 3.494,12 5.262,13 3.535,14 4.511,15 4.652,16 4.154,17 3.892,18 5.804,19 3.938,20 4.735,21 4.902,22 4.139,23 3.974,24 6.042,25 3.997,26 4.803,27 5.043,28 4.162,29 3.948,30 6.123,31 3.956,32 4.638,33 4.803,34 4.184,35 3.924,36 5.971,37 3.976,38 4.732,39 4.908,40 4.16,41 3.983,42 6.072,43 3.998,44 4.67,45 4.845,46 4.055,47 3.91,48 5.963,49 3.914,50 4.616,51 4.826,52 3.881,53 3.752,54 5.915,55 3.729,56 0.23,57 0.89,58 6.387,59 3.859,60 17.48,61 3.994,62 0.489,63 1.418,64 13.371,65 6.327,66 30.177,67 7.108,68 0.832,69 1.673,70 19.419,71 7.66,72 83.543,73 7.784,74 1.048,75 1.775,76 27.291,77 8.211,78 117.363,79 11.019,80 0.717,81 1.549,82 15.848,83 5.536,84 45.389,85 5.932,86 0.876,87 1.633,88 18.745,89 7.106,90 59.022,91 7.911,92 0.744,93 1.577,94 18.415,95 7.781,96 48.925,97 8.607,98 0.839,99 1.378,100 20.291,101 7.556,102 69.415,103 9.332,104 28,105 52,106 0.307,107 0.688,108 0.805,109 0.855,110 0.855,111 0.855,112 3.442,113 0.807,114 -5.54,115 -5.42,116 -5.05,119 43.5,120 2,121 1,130 1,142 5,143 1,144 2,146 2,151 2,152 1,161 2,162 1,166 2,172 3,174 5,175 6,180 3,183 6,187 3,188 9,196 1,199 2,200 12,203 2,208 2,212 2,213 11,216 2,221 3,224 3,225 7,230 1,233 5,237 2,238 5,243 1,246 5,249 2,250 5,253 1,258 1,264 6,267 1,269 1,272 4,276 1474,277 19.842,278 19.842,279 19.842,280 19.842,281 19.842,282 16.982,283 8.643,284 11.215,285 20.329,286 16.823,287 16.823,288 16.823,289 16.823,290 16.823,291 12.464,292 6.358,293 5.359,294 17.709,295 3.695,296 1.419,297 0.72,298 0.424,299 0.424,300 0.424,301 4.144,305 1,306 1,307 664,308 3.536,311 187.33,312 144.699,314 102.736,315 105.387,319 1.413,320 46.265,323 0.75,324 1,325 1,326 0.4,328 1,329 1,330 0.74,331 68,332 302,333 4.76,334 3.433,335 7.052,336 4.306,337 3.353,338 4.707,340 12.172,341 3.197,342 4.543,343 3.383,344 6.63,345 4.149,346 3.198,347 4.476,349 10.695,350 3.035,351 4.231,352 3.121,353 6.34,354 3.901,355 2.956,356 3.916,358 9.747,359 2.789,360 4.092,361 3.014,362 6.277,363 3.768,364 2.818,365 3.326,367 9.32,368 2.665,369 3.793,370 2.689,371 5.753,372 3.345,373 2.387,374 3.124,376 7.699,377 2.281,378 3.559,379 2.407,380 5.218,381 3.133,382 2.193,383 2.928,385 6.337,386 2.047,387 3.292,388 2.112,389 5.062,390 2.832,391 1.881,392 2.602,394 5.784,395 1.785,396 3.105,397 1.979,398 4.772,399 2.628,400 1.705,401 2.347,403 4.873,404 1.556,405 2.953,406 1.461,407 4.604,408 2.396,409 1.456,410 2.176,412 4.424,413 1.365,414 2.756,415 1.367,416 4.134,417 2.256,418 1.288,419 1.873,421 3.403,422 1.24,423 2.672,424 1.242,425 4.025,426 2.169,427 1.2,428 1.752,430 3.215,431 1.159,432 2.444,433 0.987,434 3.449,435 1.93,436 0.958,437 1.417,439 2.258,440 0.928,441 2.164,442 0.8,443 3.361,444 1.704,445 0.728,446 1.023,448 1.765,449 0.709,450 1.703,451 0.413,452 3.244,453 1.224,454 0.265,455 0.369,457 0.739,458 0.253,459 1.287,460 0.235,461 3.017,462 0.868,463 -0.047,464 -0.061,466 -0.116,467 -0.042,468 13.638,469 0.455,470 1.045,471 0.035,472 40.75,473 1.358,474 20,475 0.667,476 20.75,477 0.692,478 25.085,479 0.836,480 31.962,481 0.695,482 32.925,483 1.097,484 8.06,485 0.269,486 6.238,487 0.208,488 0.14,489 0.037,490 0.389,494 2,496 0.686,497 1.061,498 0.607,499 1.047,500 0.639,501 0.871,502 0.685,503 1.062,504 0.569,505 0.988,506 0.585,507 0.809,508 1.222,509 1.113,510 1.124,511 1.032,512 1.224,513 1.043,514 0.66,515 0.808,516 0.652,517 0.688,518 0.603,519 0.655,520 0.931,521 0.954,522 0.933,523 0.843,524 0.724,525 0.837,526 0.834,527 0.857,528 1.021,529 0.973,530 0.658,531 1.024,532 0.975,533 1.048,534 1.02,535 1.157,536 0.947,537 1.132,538 0.78,539 1.055,540 0.958,541 1.142,542 0.883,543 1.135,544 7.5,545 0.263,546 3.778,547 2.736,548 1.992,549 1.515,550 0.752,551 0.78,552 0.472,553 0.355,554 10941,555 36548,556 2.116,557 34.8,559 5,560 2,562 1,563 2,564 6,567 1.735,568 1.946,569 3.285,570 -0.25,572 1,577 84.136,578 1.829,579 4.105,580 4.804,581 5.099,582 5.099,583 5.099,584 2.689,585 4.615,586 4.878,587 3.449,588 1500.22,589 8.547,590 19889.1,592 1,594 1,595 254.084,596 1.648,597 4.818,598 0.221,599 0.013,600 0.073,601 0.056,602 0.04,603 0.029,604 0.015,605 0.018,606 0.013,607 0.012,608 0.49,609 0.17,610 0.75,611 0.922,612 150.73,613 -0.035,614 -0.096,615 0.043,616 -0.066,617 -0.084,618 -0.012,619 0.053,620 -0.128,621 0.203,622 -0.024,623 0.053,624 0.092,625 -0.244,626 -0.127,627 -0.239,628 -0.078,629 -0.214,630 -0.142,631 0.164,632 0.085,633 0.394,634 0.26,635 0.198,636 0.38,637 -0.111,638 0.018,639 -0.133,640 0.02,641 -0.05,642 -0.023,643 0.01,644 0.081,645 -0.16,646 -0.053,647 0.03,648 -0.131,649 -0.049,650 -0.064,651 -0.113,652 -0.164,653 -0.073,654 -0.172,655 0.152,656 -0.118,657 0.06,658 -0.14,659 0.051,660 -0.1,661 2.412,662 6.527,663 0.767,664 26.009,665 1.035,666 1.143,667 4.311,668 18.586,669 0.682,670 3.555,671 3.97,672 4.263,673 4.635,674 4.875,675 5.088,676 5.303,677 5.468,678 5.624,679 5.724,680 6.07,681 0.684,682 410.42,683 3.555,684 5.153,685 6.033,686 6.965,687 7.867,688 8.803,689 9.717,690 10.653,691 11.574,692 12.511,693 13,701 2,703 4,708 2,709 7,710 4,712 1,714 7,716 25,734 2,735 46,737 25,738 1,739 34,741 50,742 20,743 16,744 3,745 3,748 5,749 7,754 2,760 1,762 16,763 4,764 1,780 1,781 2,783 16,784 8,785 1,786 10,789 1,792 6,797 0.6,798 2,801 1,802 1,808 1,815 3,816 2,818 1,819 1,841 1,843 3,847 2,849 2,851 30,857 1,858 1,865 1,871 1,873 2,874 4.3,875 1,879 1,881 15.417,882 9.186,883 6.181,884 2.649,886 5,887 1.6,888 0.99,889 4.207,890 13.34,891 3.861,892 4.593,893 5.276,894 5.997,895 6.556,896 7.079,897 7.64,898 8.138,899 8.613,900 9.051,901 0.857,902 49,903 11.149,905 5.071,906 8.075,907 20.42,909 17.187,911 2.575,912 77.25,915 1,916 176.567,917 126.073,918 69.225,920 52.191,921 29.92,923 126.073,924 228.757,925 99.145,926 17.65,927 2.535,928 110.851,929 70.818,930 42.877,931 56.219,932 153.024,934 176.567,935 195.298,936 82.111,939 135.86,940 80.134,941 42.683,943 36.171,944 92.353,945 66.775,947 206.487,948 121.416,949 126.073,952 176.567,953 40.254,954 88.269,956 148.885,957 176.567,958 151.336,959 126.073,961 0.605,962 0.337,963 0.194,964 0.107,965 29,966 13,967 0.08,968 4,969 2,970 1.174,971 3.976,972 295.217,973 0.174,974 23,975 145.207,981 18.859,982 6.693,983 3.298,984 0.742,985 148.885,986 9.811,987 17.166,989 5.371,991 0.345,993 42.683,994 453.975,995 46.5,1007 47.592,1008 52.579,1009 0.331,1010 0.743,1011 0.87,1012 0.923,1013 0.923,1014 0.923,1015 5.137,1016 1.705,1017 6.084,1018 5.784,1019 4.654,1020 5.281,1022 6.987,1023 4.551,1024 6.414,1025 1.456,1026 7.701,1027 4.873,1028 4.511,1029 5.301,1031 8.15,1032 4.328,1033 7.773,1034 1.288,1035 9.419,1036 4.424,1037 6.378,1038 7.639,1040 11.218,1041 6.176,1042 9.168,1043 1.2,1044 11.193,1045 3.403,1046 7.004,1047 8.474,1049 13.153,1050 6.725,1051 10.593,1052 0.958,1053 13.004,1054 3.215,1055 8.411,1056 10.312,1058 15.796,1059 8.107,1060 12.039,1061 0.728,1062 14.839,1063 2.258,1064 9.353,1065 11.522,1067 18.035,1068 8.981,1069 13.502,1070 0.265,1071 16.691,1072 1.765,1073 10.603,1074 13.166,1076 20.547,1077 10.195,1078 3.353,1079 -0.047,1080 18.557,1081 0.739,1082 11.678,1083 14.55,1085 22.913,1086 11.211,1087 3.198,1088 12.172,1089 20.432,1090 -0.116,1091 12.873,1092 16.118,1094 25.386,1095 12.365,1096 2.956,1097 10.695,1098 22.316,1099 4.707,1100 14.005,1101 17.58,1103 27.81,1104 13.443,1105 2.818,1106 9.747,1107 24.207,1108 4.476,1109 15.185,1110 19.12,1112 30.277,1113 14.578,1114 2.387,1115 9.32,1116 26.104,1117 3.916,1118 16.343,1119 20.618,1121 32.729,1122 15.685,1123 2.193,1124 7.699,1125 28.005,1126 3.326,1127 17.52,1128 22.15,1130 35.199,1131 16.817,1132 1.881,1133 6.337,1134 29.911,1135 3.124,1136 18.691,1137 23.665,1139 37.667,1140 17.939,1141 10323,1142 19063,1143 22.482,1144 31.387,1145 53.84,1146 53.439,1147 54.193,1148 52.965,1149 52.773,1150 72.073,1152 164.861,1153 50.017,1154 5.552,1155 5.433,1156 6.541,1157 5.366,1158 5.353,1159 7.707,1161 19.696,1162 5.197,1163 16.142,1164 1.584,1165 1.572,1166 1.594,1167 1.558,1168 1.552,1169 2.12,1171 4.849,1172 1.471,1173 4.196,1174 4.239,1175 4.182,1176 4.015,1177 8.211,1178 4.049,1179 4.027,1180 4.081,1181 4.008,1182 3.828,1183 8.191,1184 3.86,1185 3.863,1186 3.888,1187 3.831,1188 3.72,1189 6.449,1190 3.749,1191 3.677,1192 3.726,1193 3.554,1194 3.529,1195 5.277,1196 3.528,1197 3.324,1198 3.369,1199 3.268,1200 3.152,1201 5.17,1202 3.174,1203 3.139,1204 3.185,1205 3.076,1206 2.988,1207 4.572,1208 2.999,1209 2.903,1210 3.009,1211 2.849,1212 2.733,1213 4.465,1214 2.735,1215 2.874,1216 2.959,1217 2.77,1218 2.668,1219 4.171,1220 2.685,1221 0.14,1222 0.101,1223 0.207,1224 0.127,1225 0.099,1226 4.76,1227 0.138,1228 3.433,1230 7.052,1231 0.358,1232 4.306,1233 0.094,1234 3.353,1235 4.707,1237 12.172,1238 3.197,1239 1.928,1240 1.901,1241 1.993,1242 2.082,1243 1.195,1244 2.051,1245 1.842,1246 1.804,1247 1.951,1248 1.975,1249 1.103,1250 1.965,1251 1.699,1252 1.652,1253 1.876,1254 1.88,1255 0.968,1256 1.886,1257 1.507,1258 1.453,1259 1.618,1260 1.733,1261 0.73,1262 1.694,1263 1.313,1264 1.298,1265 1.45,1266 1.634,1267 0.584,1268 1.558,1269 1.221,1270 1.146,1271 1.417,1272 1.497,1273 0.469,1274 1.474,1275 1.155,1276 1.124,1277 1.353,1278 1.323,1279 0.356,1280 1.308,1281 0.934,1282 0.805,1283 1.254,1284 1.239,1285 0.264,1286 1.302,1287 4.234,1289 5.624,1290 3.434,1291 7.183,1292 5.82,1293 8.827,1294 7.934,1295 10.52,1297 3.332,1299 27.942,1302 10.154,1303 0.234,1310 -1.002,1314 31.485,1315 84.136,1316 188.823,1317 220.964,1318 234.574,1319 234.574,1320 234.574,1321 62.739,1322 8.34,1323 93.75,1324 93.75,1325 27,1326 13.011,1327 4.7,1328 3.755,1329 41.303,1330 106,1331 114,1332 0.188,1333 187.531,1334 307.58,1335 449.336,1336 49845,1337 4.3,1338 21.043,1339 0.701,1340 0.535,1341 19.303,1342 16.043,1343 14.299,1344 0.421,1345 0.269,1346 8.953,1347 13.447,1348 8.752,1349 7.214,1350 13.494,1351 9.151,1352 14.49,1353 0.279,1354 0.146,1355 13.329,1356 7.583,1357 11.351,1358 0.162,1359 0.066,1360 10.558,1361 4.609,1362 10.443,1363 0.102,1364 0.033,1365 9.727,1366 3.357,1367 8.271,1368 0.064,1369 0.017,1370 7.903,1371 2.189,1372 0.287,1373 91.732,1374 0.211,1375 27.593,1376 0.546,1377 172,1378 655.978,1379 199.405,1380 578.301,1381 786.13,1382 538,1383 208,1384 599.083,1385 235.954,1386 585.529,1387 865.35,1388 550,1389 5.1}
{0 CHEMBL1976936,1 1.674,2 9.333,3 2.593,4 6.722,5 92.913,6 8.187,7 0.593,8 3.866,9 3.988,10 3.512,11 3.411,12 4.951,13 3.399,14 4.411,15 4.575,16 3.916,17 3.829,18 5.492,19 3.788,20 4.714,21 4.947,22 3.899,23 3.926,24 5.675,25 3.845,26 4.677,27 4.933,28 3.885,29 3.827,30 5.687,31 3.742,32 4.521,33 4.761,34 3.771,35 3.747,36 5.538,37 3.663,38 4.412,39 4.617,40 3.886,41 3.731,42 5.514,43 3.651,44 4.378,45 4.575,46 3.718,47 3.67,48 5.465,49 3.565,50 4.259,51 4.464,52 3.545,53 3.534,54 5.358,55 3.417,56 0.068,57 0.664,58 7.815,59 3.484,60 9.873,61 4.515,62 0.218,63 1.075,64 15.631,65 6.227,66 23.771,67 8.343,68 0.347,69 1.276,70 26.349,71 8.397,72 41.202,73 11.659,74 0.515,75 1.188,76 27.007,77 7.938,78 47.692,79 11.386,80 0.372,81 1.035,82 23.036,83 6.825,84 39.725,85 9.405,86 0.307,87 0.922,88 21.771,89 6.458,90 30.658,91 8.746,92 0.371,93 0.836,94 24.842,95 6.264,96 36.421,97 8.056,98 0.334,99 0.74,100 20.968,101 5.97,102 37.904,103 7.854,104 5,105 38,106 0.292,107 0.674,108 0.822,109 0.908,110 0.908,111 0.908,112 3.229,113 0.943,114 -4.29,115 -4.23,116 -4,119 40.5,121 4,127 2,142 3,143 2,145 1,147 2,149 1,151 1,161 1,172 5,174 1,175 7,178 2,180 7,183 6,188 4,193 3,196 2,200 5,203 3,204 1,205 5,208 4,212 2,213 3,218 1,221 3,225 3,228 1,229 1,230 4,233 7,238 3,241 1,243 1,246 6,250 1,253 1,255 4,258 5,264 2,269 2,272 4,276 766,277 16.394,278 16.394,279 16.394,280 16.394,281 16.394,282 14.552,283 13.245,284 9.726,285 16.88,286 13.392,287 13.392,288 13.392,289 13.392,290 13.392,291 10.612,292 22.275,293 4.684,294 14.259,295 3.718,296 1.532,297 0.685,298 0.19,299 0.19,300 0.19,301 3.929,303 1,304 1,305 1,306 1,307 496,308 2.236,311 46.976,312 205.766,315 89.587,319 1.5,320 23.332,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 51.833,332 224,333 4.6,334 3.205,335 6.714,336 4.136,337 3.167,338 4.535,339 0.4,340 10.928,341 3.073,342 4.152,343 2.982,344 5.874,345 3.726,346 2.786,347 3.816,349 8.394,350 2.626,351 3.689,352 2.817,353 5.592,354 3.536,355 2.592,356 2.96,358 7.591,359 2.426,360 3.521,361 2.462,362 5.275,363 3.142,364 2.196,365 2.699,367 6.607,368 2.073,369 3.279,370 2.303,371 4.857,372 2.919,373 2.035,374 2.455,376 5.572,377 1.796,378 3.046,379 1.938,380 4.589,381 2.641,382 1.738,383 2.319,385 4.842,386 1.496,387 2.936,388 1.547,389 4.499,390 2.513,391 1.547,392 2.122,394 4.227,395 1.483,396 2.84,397 1.458,398 4.004,399 2.372,400 1.434,401 1.866,403 3.443,404 1.327,405 2.524,406 1.223,407 3.564,408 2.173,409 1.183,410 1.535,412 2.596,413 1.169,414 2.189,415 1.035,416 3.481,417 1.986,418 1.027,419 1.188,421 2.554,422 0.98,423 1.973,424 0.495,425 3.094,426 1.426,427 0.488,428 0.721,430 1.178,431 0.457,432 1.176,433 0.223,434 2.946,435 0.941,441 0.948,442 0.147,443 2.556,444 0.513,445 -0.393,446 -0.416,448 -0.928,449 -0.25,450 0.737,451 -0.057,452 2.282,453 0.421,454 -0.42,455 -0.506,457 -1.028,458 -0.378,459 0.656,460 -0.56,461 2,462 0.306,463 -0.609,464 -0.767,466 -1.655,467 -0.562,468 11.548,469 0.481,470 0.571,471 0.024,472 31,473 1.292,474 14.5,475 0.604,476 16.5,477 0.688,478 19.848,479 0.827,480 25.652,481 0.611,482 19.983,483 0.833,484 5.633,485 0.235,486 6.054,487 0.252,488 0.091,490 0.346,496 0.912,497 1.348,498 0.632,499 0.933,500 0.88,501 0.861,502 0.7,503 1.222,504 0.701,505 1.072,506 0.675,507 1.02,508 1.081,509 1.146,510 0.827,511 0.94,512 1.069,513 0.942,514 0.813,515 0.884,516 0.705,517 0.807,518 0.859,519 0.828,520 1.14,521 0.867,522 0.928,523 0.77,524 1.113,525 0.83,526 0.941,527 1.087,528 1.152,529 1.014,530 0.817,531 0.957,532 1.537,533 0.918,534 1.872,535 1.218,536 1.425,537 1.176,538 1.04,539 1.015,540 1.519,541 1.281,542 0.977,543 1.209,544 5,545 0.074,546 2,547 1.882,548 1.023,549 0.563,550 0.554,551 0.273,552 0.185,553 0.079,554 6552,555 17617,556 2.161,557 42.9,558 2,559 5,560 1,561 1,562 3,564 4,565 2,567 1.671,568 2.057,569 3.227,570 1.039,571 1,572 1,574 1,577 70.322,578 1.674,579 3.86,580 4.708,581 5.202,582 5.202,583 5.202,584 2.69,585 4.252,586 4.559,587 3.367,588 929.313,589 7.874,590 10763.3,591 1,592 1,594 1,595 226.477,596 1.281,597 4.532,598 0.185,599 0.006,600 0.053,601 0.052,602 0.031,603 0.019,604 0.018,605 0.011,606 0.009,607 0.005,608 0.389,609 0.33,610 1,611 0.49,612 113.214,613 -0.127,614 -0.141,615 0.011,616 0.025,617 -0.104,618 0.045,619 0.106,620 -0.09,621 0.02,622 -0.122,623 0.1,624 -0.093,625 -0.127,626 -0.163,627 0.017,628 0.006,629 -0.085,630 0.021,631 0.167,632 0.079,633 0.18,634 0.125,635 0.097,636 0.139,637 -0.12,638 0.127,639 0.042,640 0.179,641 -0.125,642 0.126,643 0.074,644 -0.077,645 0.072,646 0.005,647 0.074,648 0.019,649 -0.268,650 0.076,651 -0.348,652 -0.162,653 -0.263,654 -0.21,655 0.051,656 -0.068,657 -0.19,658 -0.219,659 0.093,660 -0.205,661 1.576,662 3.825,663 0.875,664 18.424,665 1.008,666 1.132,667 3.065,668 9.393,669 0.683,670 3.332,671 3.664,672 3.932,673 4.248,674 4.443,675 4.522,676 4.625,677 4.796,678 4.787,679 4.898,680 5.677,681 0.651,682 343.85,683 3.332,684 4.875,685 5.727,686 6.613,687 7.48,688 8.373,689 9.247,690 10.143,691 11.021,692 11.918,693 11.9,698 1,701 1,703 3,708 2,709 5,710 3,711 1,714 4,716 16,728 1,734 1,735 42,737 16,739 27,741 45,742 17,743 11,748 4,749 5,750 1,757 6,760 6,762 11,763 6,779 1,780 1,783 18,784 5,785 3,786 7,787 1,792 5,797 0.75,798 1,800 1,809 1,810 1,811 1,815 1,816 3,819 1,841 1,843 3,848 1,851 24,857 1,858 4,860 1,863 2,873 1,874 2.4,875 1,881 11.667,882 7.276,883 5.167,884 2.62,886 3.213,887 1.435,888 0.979,889 4.293,890 10.598,891 3.584,892 4.201,893 4.811,894 5.461,895 5.986,896 6.346,897 6.79,898 7.253,899 7.454,900 7.833,901 1,902 36,903 8.868,905 3.856,906 7.699,907 17.08,909 14.507,911 2.199,912 52.778,915 1,916 176.567,917 71.863,918 85.153,919 39.149,920 42.683,923 71.863,924 258.399,925 85.153,927 10.138,928 80.16,929 81.854,930 33.919,931 56.319,932 153.024,934 176.567,935 157.016,936 42.683,937 39.149,939 108.268,940 70.627,941 42.683,943 37.686,944 48.634,945 68.367,946 39.149,947 176.567,948 127.836,949 111.012,952 176.567,953 25.34,954 46.524,955 34.796,956 132.189,957 176.567,958 127.836,959 111.012,961 0.582,962 0.333,963 0.192,964 0.103,965 20,966 8,967 0.067,968 3,969 1,970 1.095,971 3.668,972 201.371,973 0.095,974 21,975 110.039,981 15.67,982 6.575,983 3.356,984 1.75,985 111.051,986 9.162,987 13.248,988 3.125,991 2.493,993 77.48,994 415.415,995 35,1007 42.345,1008 47.551,1009 0.311,1010 0.716,1011 0.873,1012 0.965,1013 0.965,1014 0.965,1015 4.82,1016 1.434,1017 5.707,1018 4.227,1019 4.344,1020 4.887,1021 0.278,1022 6.509,1023 4.227,1024 6.019,1025 1.183,1026 7.251,1027 3.443,1028 3.892,1029 4.677,1031 7.345,1032 3.687,1033 7.32,1034 1.027,1035 8.891,1036 2.596,1037 5.922,1038 7.11,1039 0.05,1040 10.469,1041 5.714,1042 8.657,1043 0.488,1044 10.589,1045 2.554,1046 6.275,1047 7.778,1049 12.173,1050 6.009,1051 10.029,1053 12.327,1054 1.178,1055 7.778,1056 9.679,1057 0.008,1058 14.807,1059 7.498,1060 11.427,1061 -0.393,1062 14.094,1064 8.528,1065 10.783,1067 16.898,1068 8.21,1069 12.847,1070 -0.42,1071 15.883,1072 -0.928,1073 9.806,1074 12.453,1075 0.001,1076 19.364,1077 9.467,1078 3.167,1079 -0.609,1080 17.691,1081 -1.028,1082 10.754,1083 13.77,1085 21.624,1086 10.385,1087 2.786,1088 10.928,1089 19.514,1090 -1.655,1091 11.937,1092 15.34,1094 24.034,1095 11.545,1096 2.592,1097 8.394,1098 21.349,1099 4.535,1100 12.982,1101 16.756,1103 26.366,1104 12.563,1105 2.196,1106 7.591,1107 23.194,1108 3.816,1109 14.129,1110 18.285,1112 28.76,1113 13.686,1114 2.035,1115 6.607,1116 25.049,1117 2.96,1118 15.221,1119 19.749,1121 31.124,1122 14.752,1123 1.738,1124 5.572,1125 26.91,1126 2.699,1127 16.357,1128 21.262,1130 33.513,1131 15.864,1132 1.547,1133 4.842,1134 28.779,1135 2.455,1136 17.473,1137 22.747,1139 35.891,1140 16.955,1141 6146,1142 10231,1143 18.493,1144 28.671,1145 40.98,1146 40.567,1147 41.421,1148 40.621,1149 40.386,1150 52.433,1151 0.8,1152 115.865,1153 37.813,1154 5.6,1155 5.205,1156 6.396,1157 5.211,1158 5.167,1159 7.535,1160 0.8,1161 18.11,1162 5.073,1163 8.707,1164 1.518,1165 1.502,1166 1.534,1167 1.504,1168 1.496,1169 1.942,1170 0.03,1171 4.291,1172 1.4,1173 4.122,1174 4.163,1175 4.111,1176 4.006,1177 6.449,1178 4.022,1179 3.9,1180 3.955,1181 3.922,1182 3.764,1183 5.146,1184 3.763,1185 3.748,1186 3.795,1187 3.73,1188 3.607,1189 4.992,1190 3.619,1191 3.374,1192 3.436,1193 3.353,1194 3.239,1195 4.509,1196 3.24,1197 3.204,1198 3.279,1199 3.241,1200 2.992,1201 4.345,1202 2.991,1203 3.142,1204 3.221,1205 3.001,1206 2.945,1207 4.195,1208 2.929,1209 2.902,1210 2.967,1211 2.926,1212 2.706,1213 3.924,1214 2.731,1215 2.735,1216 2.811,1217 2.761,1218 2.528,1219 3.798,1220 2.533,1221 0.17,1222 0.119,1223 0.249,1224 0.153,1225 0.117,1226 4.6,1227 0.168,1228 3.205,1229 0.015,1230 6.714,1231 0.405,1232 4.136,1233 0.114,1234 3.167,1235 4.535,1236 0.4,1237 10.928,1238 3.073,1239 1.904,1240 1.871,1241 2.075,1242 2.052,1243 1.457,1244 2.058,1245 1.86,1246 1.813,1247 1.961,1248 1.998,1249 1.064,1250 1.991,1251 1.713,1252 1.669,1253 1.782,1254 1.898,1255 0.859,1256 1.876,1257 1.421,1258 1.364,1259 1.57,1260 1.632,1261 0.776,1262 1.623,1263 1.167,1264 1.089,1265 1.483,1266 1.418,1267 0.73,1268 1.427,1269 1.144,1270 1.07,1271 1.437,1272 1.392,1273 0.578,1274 1.425,1275 1.023,1276 0.973,1277 1.198,1278 1.167,1279 0.303,1280 1.185,1281 0.625,1282 0.552,1283 0.897,1284 0.93,1286 0.937,1287 4.007,1289 5.333,1290 2.398,1291 6.849,1292 4.727,1293 8.454,1294 6.843,1295 10.105,1298 6.198,1302 9.825,1303 3.633,1305 3.381,1308 -0.037,1314 27.337,1315 70.322,1316 162.139,1317 197.722,1318 218.477,1319 218.477,1320 218.477,1321 35.247,1322 7.385,1323 86.72,1324 86.72,1325 23,1326 12.446,1327 4.087,1328 3.17,1329 33.804,1330 82,1331 74,1332 0.204,1333 170.075,1334 281.04,1335 406.744,1336 16016,1337 2.4,1338 16.518,1339 0.688,1340 0.575,1341 17.018,1342 13.793,1343 11.687,1344 0.433,1345 0.314,1346 8.035,1347 11,1348 7.892,1349 6.484,1350 11.975,1351 8.483,1352 10.761,1353 0.283,1354 0.172,1355 11.17,1356 6.55,1357 8.783,1358 0.176,1359 0.092,1360 9.018,1361 4.579,1362 7.954,1363 0.115,1364 0.05,1365 8.272,1366 3.441,1367 6.154,1368 0.073,1369 0.027,1370 6.385,1371 2.289,1372 0.315,1373 76.006,1374 0.233,1375 23.246,1376 0.572,1377 130,1378 357.954,1379 158.042,1380 380.238,1381 518,1382 356,1383 153,1384 367.178,1385 174.411,1386 380.376,1387 560.77,1388 360,1389 8.1}
{0 CHEMBL1977041,1 1.657,2 12.097,3 2.95,4 8.705,5 117.464,6 8.166,7 0.647,8 4.055,9 4.174,10 3.691,11 3.57,12 5.294,13 3.584,14 4.524,15 4.674,16 4.054,17 3.937,18 5.786,19 3.935,20 4.704,21 4.87,22 4.139,23 4.077,24 5.898,25 4.067,26 4.838,27 5.014,28 4.197,29 4.117,30 6.092,31 4.104,32 4.882,33 5.055,34 4.177,35 4.102,36 6.191,37 4.092,38 4.898,39 5.094,40 4.056,41 4.049,42 6.216,43 4.014,44 4.834,45 5.086,46 3.711,47 3.936,48 5.864,49 3.827,50 4.594,51 4.854,52 3.528,53 3.735,54 5.603,55 3.607,56 0.127,57 0.802,58 8.786,59 4.005,60 11.441,61 4.802,62 0.453,63 1.211,64 16.358,65 6.666,66 38.154,67 8.382,68 0.358,69 1.44,70 19.818,71 7.67,72 32.993,73 9.613,74 0.482,75 1.54,76 24.079,77 8.962,78 48.788,79 11.347,80 0.611,81 1.543,82 26.113,83 9.154,84 71.846,85 11.138,86 0.751,87 1.541,88 27.564,89 8.801,90 89.823,91 11.057,92 0.622,93 1.363,94 29.779,95 9.862,96 76.86,97 13.412,98 0.423,99 1.124,100 22.405,101 8.082,102 41.393,103 11.655,104 28,105 48,106 0.273,107 0.625,108 0.739,109 0.805,110 0.833,111 0.84,112 3.472,113 0.832,114 -4.47,115 -4.4,116 -4.15,119 43.1,120 1,124 1,142 9,143 3,144 2,147 1,148 1,152 2,158 1,159 1,163 1,164 1,165 1,166 1,172 10,174 2,175 5,177 1,178 3,179 1,180 4,183 12,187 1,188 7,190 1,191 1,193 5,196 9,198 1,199 2,200 13,202 1,203 1,205 8,208 3,210 2,212 2,213 15,218 8,221 2,223 3,224 2,225 10,227 2,228 2,230 5,233 6,235 2,238 1,241 1,243 1,246 8,250 1,253 4,254 1,255 2,257 1,258 8,263 1,267 1,272 6,276 1638,277 20.991,278 20.991,279 20.991,280 20.991,281 20.991,282 18.057,283 20.575,284 12.328,285 21.435,286 16.706,287 16.706,288 16.706,289 16.706,290 16.706,291 12.241,292 25.071,293 5.761,294 17.275,295 4.016,296 1.883,297 1.192,298 0.79,299 0.618,300 0.579,301 4.165,305 1,306 1,307 809,308 3.674,311 71.614,312 296.587,315 136.571,319 1.894,320 34.208,323 1,324 0.83,325 1,326 0.6,328 1,329 1,330 0.78,331 68,332 375,333 4.858,334 3.748,335 7.273,336 4.424,337 3.448,338 4.833,339 1.674,340 12.966,341 3.366,342 4.088,343 3.562,344 6.203,345 3.696,346 2.725,347 3.692,348 1.656,349 8.883,350 2.643,351 3.988,352 3.27,353 6.014,354 3.583,355 2.617,356 3.48,357 0.247,358 8.364,359 2.515,360 3.939,361 2.685,362 5.575,363 3.548,364 2.568,365 3.443,367 7.627,368 2.51,369 3.696,370 2.535,371 5.376,372 3.311,373 2.336,374 3.083,376 6.945,377 2.273,378 3.486,379 2.457,380 5.251,381 3.049,382 2.091,383 2.776,385 6.137,386 1.995,387 3.344,388 2.332,389 4.677,390 2.908,391 1.914,392 2.57,394 5.039,395 1.883,396 2.978,397 1.664,398 4.467,399 2.464,400 1.507,401 2.184,403 4.019,404 1.437,405 2.846,406 1.519,407 4.433,408 2.374,409 1.383,410 1.978,412 3.673,413 1.365,414 2.731,415 1.472,416 3.708,417 2.262,418 1.317,419 1.782,421 2.991,422 1.237,423 2.5,424 1.461,425 3.569,426 2,427 1.052,428 1.5,430 2.574,431 1,432 2.5,433 1.19,434 3.414,435 2,436 1,437 1.5,439 2.275,440 1,441 2.464,442 1,443 3.247,444 1.997,445 1,446 1.444,448 2.136,449 0.989,450 1.488,451 1,452 3.074,453 1.203,454 0.299,455 0.332,457 0.479,458 0.266,459 1.344,460 0.656,461 2.85,462 1.02,463 0.068,464 0.081,466 0.162,467 0.064,468 14.4,469 0.465,470 0.768,471 0.025,472 45,473 1.452,474 24.5,475 0.79,476 20.5,477 0.661,478 22.411,479 0.723,480 32.4,481 0.635,482 37.267,483 1.202,484 9.321,485 0.301,486 5.669,487 0.183,488 0.144,490 0.375,496 0.81,497 1.208,498 0.723,499 0.985,500 0.674,501 0.851,502 0.669,503 1.026,504 0.723,505 0.884,506 0.525,507 0.833,508 0.948,509 1.101,510 0.91,511 0.993,512 0.886,513 0.939,514 1.022,515 1.166,516 0.935,517 1.107,518 1.096,519 1.019,520 1.387,521 1.19,522 1.082,523 1.102,524 1.396,525 1.051,526 1.353,527 1.049,528 1.267,529 1.088,530 1.322,531 1.141,532 1.067,533 0.852,534 1.096,535 0.923,536 1.048,537 1.009,538 0.407,539 0.904,540 0.953,541 1.109,542 0.517,543 1.14,544 5.5,545 0.132,546 3.111,547 3.236,548 2.607,549 1.257,550 0.7,551 0.444,552 0.22,553 0.298,554 12949,555 39023,556 2.065,557 39.2,559 12,561 1,562 4,563 3,567 1.736,568 1.918,569 3.451,570 1.632,572 1,577 84.483,578 1.657,579 3.79,580 4.48,581 4.883,582 5.055,583 5.094,584 2.848,585 4.438,586 4.922,587 3.71,588 1725.18,589 8.598,590 24631.9,592 1,594 1,595 289.294,596 1.462,597 4.877,598 0.162,599 0.005,600 0.065,601 0.062,602 0.049,603 0.025,604 0.016,605 0.014,606 0.009,607 0.012,608 0.42,610 1,611 0.904,612 161.12,613 -0.072,614 -0.034,615 0.029,616 0.001,617 -0.112,618 0.033,619 0.217,620 0.068,621 0.125,622 0.103,623 0.128,624 0.087,625 -0.112,626 -0.003,627 -0.052,628 -0.023,629 -0.084,630 -0.02,631 -0.027,632 -0.135,633 -0.016,634 -0.13,635 -0.038,636 -0.08,637 -0.166,638 -0.193,639 -0.125,640 -0.133,641 -0.083,642 -0.126,643 -0.146,644 -0.038,645 -0.281,646 -0.153,647 -0.08,648 -0.224,649 -0.126,650 0.03,651 -0.033,652 0.085,653 -0.147,654 0.048,655 0.23,656 0.015,657 0.067,658 -0.095,659 0.075,660 -0.062,661 2.165,662 5.506,663 0.677,664 32.876,665 1.015,666 1.128,667 3.241,668 10.506,669 0.681,670 3.555,671 3.892,672 4.205,673 4.533,674 4.787,675 4.86,676 4.97,677 5.088,678 5.118,679 5.13,680 7.178,681 0.666,682 416.48,683 3.555,684 5.106,685 5.974,686 6.874,687 7.769,688 8.681,689 9.589,690 10.509,691 11.425,692 12.35,693 11.8,697 1,700 2,701 1,703 2,706 1,708 1,709 10,710 2,714 7,716 22,726 1,727 1,735 51,737 24,738 2,739 34,741 54,742 22,743 18,744 3,745 9,746 1,748 4,749 5,753 1,754 1,762 20,763 2,767 2,772 2,776 2,780 1,783 20,784 8,785 4,786 9,792 6,797 0.75,798 3,811 1,815 1,816 3,819 1,843 3,847 2,851 31,852 1,860 2,861 1,874 5.9,877 2,879 1,881 16.167,882 9.767,883 6.889,884 2.74,886 4.184,887 1.532,888 1.007,889 5.779,890 12.05,891 3.871,892 4.514,893 5.154,894 5.825,895 6.417,896 6.763,897 7.193,898 7.639,899 7.913,900 8.175,901 0.875,902 52,903 11.406,905 4.871,906 7.925,907 21.148,909 16.926,911 2.425,912 75.167,915 1,916 188.338,917 147.379,918 103.531,920 61.29,923 147.379,924 249.627,925 103.531,926 19.708,927 36.022,928 118.183,929 102.701,930 35.853,931 11.505,932 176.567,934 188.338,935 250.91,936 61.29,939 188.338,940 61.29,943 54.629,944 162.833,945 33.449,947 188.338,948 164.821,949 147.379,952 188.338,953 33.766,954 114.777,955 36.022,956 127.635,957 188.338,958 164.821,959 147.379,961 0.58,962 0.35,963 0.201,964 0.116,965 23,966 11,967 0.093,968 5,969 1,970 1.095,971 4.14,972 285.319,973 0.095,974 21,975 145.58,981 20.691,982 8.658,983 4.047,984 0.517,985 163.657,986 17.505,987 8.273,991 3.747,993 68.919,994 500.538,995 47,1000 24.728,1004 -0.862,1007 51.778,1008 57.524,1009 0.292,1010 0.668,1011 0.79,1012 0.861,1013 0.891,1014 0.898,1015 5.103,1016 1.507,1017 5.969,1018 5.039,1019 4.575,1020 5.201,1021 2.434,1022 6.828,1023 4.514,1024 6.334,1025 1.383,1026 7.554,1027 4.019,1028 4.205,1029 5.075,1030 1.195,1031 7.851,1032 4.126,1033 7.659,1034 1.317,1035 9.246,1036 3.673,1037 6.201,1038 7.475,1039 3.292,1040 11.029,1041 6.084,1042 9.024,1043 1.052,1044 11.002,1045 2.991,1046 6.673,1047 8.211,1048 2.324,1049 12.966,1050 6.537,1051 10.425,1052 1,1053 12.803,1054 2.574,1055 8.152,1056 10.093,1057 4.244,1058 15.701,1059 7.987,1060 11.854,1061 1,1062 14.636,1063 2.275,1064 9.026,1065 11.262,1066 3.407,1067 18.024,1068 8.841,1069 13.306,1070 0.299,1071 16.496,1072 2.136,1073 10.317,1074 12.941,1075 5.233,1076 20.63,1077 10.107,1078 3.448,1079 0.068,1080 18.376,1081 0.479,1082 11.383,1083 14.327,1084 4.464,1085 23.105,1086 11.152,1087 2.725,1088 12.966,1089 20.273,1090 0.162,1091 12.614,1092 15.93,1093 6.239,1094 25.676,1095 12.361,1096 2.617,1097 8.883,1098 22.185,1099 4.833,1100 13.77,1101 17.418,1102 5.504,1103 28.207,1104 13.494,1105 2.568,1106 8.364,1107 24.109,1108 3.692,1109 14.989,1110 18.997,1111 7.254,1112 30.77,1113 14.691,1114 2.336,1115 7.627,1116 26.043,1117 3.48,1118 16.186,1119 20.532,1120 6.531,1121 33.32,1122 15.865,1123 2.091,1124 6.945,1125 27.986,1126 3.443,1127 17.407,1128 22.105,1129 8.273,1130 35.882,1131 17.064,1132 1.914,1133 6.137,1134 29.935,1135 3.083,1136 18.623,1137 23.661,1138 7.551,1139 38.44,1140 18.257,1141 12392,1142 21669,1143 22.482,1144 34.728,1145 51.107,1146 53.125,1147 53.558,1148 50.558,1149 50.652,1150 69.357,1151 7.155,1152 148.539,1153 49.087,1154 5.723,1155 5.748,1156 7.075,1157 5.492,1158 5.448,1159 7.833,1160 3.349,1161 20.571,1162 5.366,1163 16.195,1164 1.503,1165 1.562,1166 1.575,1167 1.487,1168 1.49,1169 2.04,1170 0.21,1171 4.369,1172 1.444,1173 4.163,1174 4.203,1175 4.148,1176 4.043,1177 7.434,1178 4.062,1179 3.915,1180 3.954,1181 3.855,1182 3.826,1183 7.43,1184 3.825,1185 3.839,1186 3.875,1187 3.778,1188 3.742,1189 5.244,1190 3.75,1191 3.52,1192 3.552,1193 3.475,1194 3.277,1195 4.827,1196 3.318,1197 3.412,1198 3.455,1199 3.358,1200 3.136,1201 4.772,1202 3.186,1203 3.292,1204 3.361,1205 3.153,1206 3.011,1207 4.712,1208 3.031,1209 3.07,1210 3.144,1211 2.963,1212 2.889,1213 4.502,1214 2.896,1215 2.934,1216 3.065,1217 2.768,1218 2.735,1219 4.272,1220 2.715,1221 0.143,1222 0.11,1223 0.214,1224 0.13,1225 0.101,1226 4.858,1227 0.142,1228 3.748,1229 0.049,1230 7.273,1231 0.381,1232 4.424,1233 0.099,1234 3.448,1235 4.833,1236 1.674,1237 12.966,1238 3.366,1239 1.947,1240 1.924,1241 2.031,1242 2.07,1243 1.16,1244 2.046,1245 1.884,1246 1.853,1247 2.005,1248 2.009,1249 1.061,1250 1.998,1251 1.77,1252 1.711,1253 1.852,1254 1.962,1255 0.941,1256 1.956,1257 1.603,1258 1.585,1259 1.72,1260 1.771,1261 0.817,1262 1.75,1263 1.261,1264 1.215,1265 1.586,1266 1.575,1267 0.579,1268 1.561,1269 1.227,1270 1.16,1271 1.407,1272 1.539,1273 0.381,1274 1.521,1275 1.041,1276 0.97,1277 1.276,1278 1.267,1279 0.298,1280 1.28,1281 0.886,1282 0.821,1283 1.181,1284 1.257,1285 0.218,1286 1.24,1287 4.234,1289 5.565,1290 2.398,1291 7.098,1292 4.949,1293 8.725,1294 7.248,1295 10.407,1297 3.084,1301 6.098,1305 5.531,1306 4.975,1314 33.96,1315 84.483,1316 193.28,1317 228.5,1318 249.029,1319 257.784,1320 259.784,1321 56.971,1322 7.866,1323 123.64,1324 123.64,1325 23,1326 12.857,1327 4.644,1328 3.807,1329 49.555,1330 132,1331 150,1332 0.183,1333 209.854,1334 356.81,1335 503.804,1336 29327,1338 21.957,1339 0.708,1340 0.546,1341 21.957,1342 16.917,1343 14.99,1344 0.441,1345 0.277,1346 9.263,1347 14.309,1348 9.018,1349 7.537,1350 14.99,1351 9.429,1352 13.41,1353 0.279,1354 0.141,1355 13.41,1356 6.755,1357 11.453,1358 0.174,1359 0.073,1360 11.453,1361 4.837,1362 9.917,1363 0.108,1364 0.037,1365 9.917,1366 3.429,1367 8.239,1368 0.069,1369 0.02,1370 8.239,1371 2.332,1372 0.288,1373 94.763,1374 0.211,1375 29.152,1376 0.497,1377 164,1378 528.12,1379 183.018,1380 510.39,1381 698.9,1382 476,1383 196,1384 522.153,1385 214.33,1386 528.638,1387 773.01,1388 495,1389 6.1}
{0 CHEMBL1977128,1 1.55,2 13.656,3 4.112,4 16.908,5 121.894,6 8.561,7 0.75,8 4.025,9 4.139,10 3.719,11 3.633,12 5.279,13 3.634,14 4.483,15 4.619,16 4.061,17 4.015,18 5.676,19 3.999,20 4.708,21 4.888,22 4.063,23 4.088,24 5.88,25 4.044,26 4.764,27 4.982,28 4.01,29 3.997,30 5.946,31 3.96,32 4.644,33 4.852,34 3.994,35 3.891,36 5.91,37 3.885,38 4.554,39 4.748,40 3.944,41 3.866,42 5.87,43 3.851,44 4.527,45 4.734,46 3.863,47 3.858,48 5.687,49 3.819,50 4.441,51 4.63,52 3.766,53 3.841,54 5.629,55 3.783,56 0.114,57 0.786,58 7.096,59 3.68,60 10.804,61 4.245,62 0.184,63 1.21,64 12.335,65 6.035,66 15.397,67 7.166,68 0.214,69 1.446,70 18.555,71 8.092,72 30.781,73 9.904,74 0.386,75 1.513,76 22.938,77 8.092,78 53.143,79 9.935,80 0.352,81 1.347,82 20.191,83 6.946,84 51.136,85 8.345,86 0.384,87 1.276,88 17.075,89 6.188,90 61.084,91 7.32,92 0.36,93 1.237,94 17.123,95 6.464,96 36.6,97 7.99,98 0.237,99 1.082,100 14.963,101 6.41,102 32.901,103 8.02,104 6,105 50,106 0.253,107 0.594,108 0.727,109 0.858,110 0.884,111 0.884,112 3.502,113 0.828,114 -4.69,115 -4.6,116 -4.33,119 49,125 1,142 12,143 5,146 2,151 1,153 1,158 2,166 2,168 1,172 16,174 1,175 6,178 1,179 1,180 3,183 16,188 13,191 1,193 5,196 8,200 17,203 1,205 7,208 1,212 1,213 13,218 4,221 4,224 2,225 7,228 3,230 2,233 10,237 2,238 4,241 4,243 1,246 16,249 1,250 3,253 1,258 16,263 3,264 6,269 2,272 10,276 1880,277 22.195,278 22.195,279 22.195,280 22.195,281 22.195,282 18.877,283 19.226,284 13.139,285 22.401,286 17.758,287 17.758,288 17.758,289 17.758,290 17.758,291 12.661,292 26.594,293 6.225,294 18.084,295 4.065,296 1.982,297 1.164,298 0.367,299 0.204,300 0.204,301 4.213,305 1,306 1,307 966,308 3.24,311 161.562,312 304.472,315 134.817,319 2.281,320 26.598,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 68.5,332 437,333 4.578,334 4.058,335 6.577,336 4.114,337 3.137,338 4.522,339 2.035,340 10.481,341 3.065,342 4.258,343 3.579,344 6.153,345 3.871,346 2.887,347 3.882,348 1.058,349 9.135,350 2.858,351 4.213,352 3.126,353 6.056,354 3.789,355 2.803,356 3.83,357 0.522,358 8.742,359 2.741,360 3.916,361 2.959,362 5.547,363 3.542,364 2.554,365 3.451,367 7.556,368 2.523,369 3.814,370 2.693,371 5.282,372 3.318,373 2.323,374 3.106,376 6.666,377 2.309,378 3.578,379 2.503,380 5.097,381 3.127,382 2.152,383 2.99,385 6.124,386 2.094,387 3.349,388 2.221,389 5.04,390 2.867,391 1.908,392 2.657,394 5.838,395 1.826,396 3.123,397 1.995,398 4.328,399 2.483,400 1.496,401 2.125,403 4.003,404 1.476,405 2.939,406 1.783,407 4.151,408 2.409,409 1.407,410 2.06,412 3.549,413 1.405,414 2.787,415 1.563,416 3.921,417 2.288,418 1.31,419 1.902,421 3.063,422 1.278,423 2.691,424 1.355,425 3.576,426 2.14,427 1.161,428 1.677,430 2.918,431 1.135,432 2.611,433 1.201,434 3.474,435 2.008,436 1.009,437 1.5,439 2.451,440 1.002,441 2.526,442 1.176,443 3.281,444 2,445 1,446 1.487,448 2.136,449 1,450 2.5,451 1,452 3.247,453 1.707,454 0.725,455 1.064,457 1.736,458 0.71,459 2.206,460 0.819,461 3.235,462 1.591,463 0.6,464 0.892,466 1.493,467 0.593,468 15.133,469 0.473,470 0.653,471 0.02,472 49.25,473 1.539,474 29,475 0.906,476 20.25,477 0.633,478 20.645,479 0.645,480 31.067,481 0.634,482 37.482,483 1.171,484 9.933,485 0.31,486 5.758,487 0.18,488 0.048,490 0.324,496 0.611,497 0.909,498 0.657,499 0.832,500 0.495,501 0.766,502 0.674,503 1.083,504 0.816,505 1.008,506 0.523,507 0.948,508 0.944,509 1.204,510 1.021,511 1.189,512 0.793,513 1.135,514 1.309,515 1.13,516 1.07,517 1.005,518 1.188,519 0.994,520 1.442,521 1.131,522 0.931,523 0.896,524 1.228,525 0.839,526 1.223,527 0.962,528 1.004,529 0.892,530 0.982,531 0.906,532 0.957,533 0.755,534 0.991,535 0.859,536 0.868,537 0.913,538 0.811,539 0.923,540 0.993,541 1.012,542 0.762,543 1.031,544 6,545 0.154,546 3.111,547 1.764,548 1.472,549 1.011,550 0.541,551 0.406,552 0.247,553 0.247,554 16004,555 45633,556 2.174,557 34.7,559 14,560 1,562 2,567 1.743,568 2.087,569 3.733,570 0.208,572 1,577 75.943,578 1.55,579 3.633,580 4.451,581 5.247,582 5.411,583 5.411,584 3.23,585 4.75,586 4.968,587 3.893,588 1930.88,589 8.68,590 28854,592 1,595 275.121,596 1.198,597 4.954,598 0.167,599 0.005,600 0.062,601 0.037,602 0.033,603 0.023,604 0.013,605 0.01,606 0.007,607 0.007,608 0.365,609 0.17,610 0.88,611 0.563,612 170.058,613 0.123,614 0.163,615 0.047,616 0.059,617 0.014,618 0.041,619 0.093,620 -0.048,621 -0.043,622 -0.089,623 0.01,624 -0.09,625 -0.058,626 -0.228,627 -0.106,628 -0.219,629 -0.02,630 -0.182,631 -0.134,632 -0.132,633 -0.031,634 -0.04,635 -0.095,636 -0.019,637 -0.123,638 -0.119,639 0.103,640 0.053,641 0.013,642 0.108,643 0.004,644 0.089,645 -0.037,646 0.028,647 0.118,648 -0.005,649 0.067,650 0.27,651 -0.013,652 0.092,653 -0.055,654 0.037,655 0.035,656 0.033,657 -0.056,658 -0.016,659 0.047,660 -0.044,661 1.994,662 5.662,663 0.813,664 38.203,665 1.009,666 1.118,667 3.455,668 11.939,669 0.72,670 3.611,671 3.932,672 4.22,673 4.489,674 4.691,675 4.779,676 4.956,677 5.106,678 5.22,679 5.357,680 7.841,681 0.704,682 419.48,683 3.611,684 5.153,685 6.009,686 6.884,687 7.755,688 8.636,689 9.513,690 10.397,691 11.279,692 12.166,693 14.3,700 1,701 2,702 1,703 3,708 2,709 13,710 3,711 1,714 6,715 1,716 27,718 1,723 1,735 49,737 29,738 3,739 36,741 53,742 24,743 21,744 6,745 12,746 1,748 5,749 6,761 1,762 22,763 1,767 1,772 1,776 1,780 1,783 17,784 6,785 2,786 8,792 7,797 0.8,798 1,807 1,815 2,816 3,819 1,843 4,851 32,858 1,860 1,866 1,870 1,871 1,872 1,874 2,877 1,881 15.333,882 9,883 7.028,884 2.808,886 5.146,887 1.616,888 1.042,889 5.21,890 13.499,891 3.98,892 4.6,893 5.239,894 5.846,895 6.352,896 6.687,897 7.17,898 7.612,899 7.966,900 8.388,901 1,902 48,903 11.738,905 5.059,906 7.813,907 22.103,909 18.146,911 2.313,912 74,915 1,916 176.567,917 168.719,918 117.376,920 25.145,923 168.719,924 201.711,925 117.376,927 20.116,928 122.762,929 96.318,930 72.043,931 11.771,932 164.795,934 176.567,935 286.095,936 25.145,939 176.567,940 25.145,943 76.844,944 159.384,945 49.867,947 176.567,948 142.521,949 168.719,952 176.567,953 29.354,954 124.539,955 51.276,956 106.071,957 176.567,958 142.521,959 168.719,961 0.578,962 0.341,963 0.185,964 0.098,965 25,966 10,967 0.094,968 5,969 1,970 1.077,971 4.473,972 294.62,973 0.077,974 26,975 156,981 19.689,982 8.468,983 4.164,984 1.469,985 124.082,986 24.166,987 12.787,988 2.871,991 4.022,992 1.787,993 34.674,994 487.806,995 52.5,1000 12.662,1004 -0.327,1007 49.458,1008 54.774,1009 0.276,1010 0.647,1011 0.793,1012 0.935,1013 0.964,1014 0.964,1015 5.203,1016 1.496,1017 5.979,1018 5.838,1019 4.615,1020 5.288,1021 2.49,1022 6.772,1023 4.579,1024 6.425,1025 1.407,1026 7.521,1027 4.003,1028 4.111,1029 4.997,1031 7.6,1032 4.06,1033 7.731,1034 1.31,1035 9.16,1036 3.549,1037 6.192,1038 7.528,1039 3.636,1040 10.695,1041 6.12,1042 9.073,1043 1.161,1044 10.857,1045 3.063,1046 6.538,1047 8.123,1049 12.363,1050 6.448,1051 10.446,1052 1.009,1053 12.591,1054 2.918,1055 8.043,1056 10.052,1057 4.982,1058 14.946,1059 7.934,1060 11.841,1061 1,1062 14.35,1063 2.451,1064 8.781,1065 11.077,1067 16.97,1068 8.652,1069 13.254,1070 0.725,1071 16.128,1072 2.136,1073 10.05,1074 12.749,1075 6.383,1076 19.376,1077 9.902,1078 3.137,1079 0.6,1080 17.921,1081 1.736,1082 10.978,1083 13.997,1085 21.56,1086 10.808,1087 2.887,1088 10.481,1089 19.724,1090 1.493,1091 12.146,1092 15.556,1093 7.798,1094 23.905,1095 11.958,1096 2.803,1097 9.135,1098 21.537,1099 4.522,1100 13.167,1101 16.921,1103 26.164,1104 12.956,1105 2.554,1106 8.742,1107 23.357,1108 3.882,1109 14.297,1110 18.434,1111 9.218,1112 28.491,1113 14.066,1114 2.323,1115 7.556,1116 25.183,1117 3.83,1118 15.364,1119 19.86,1121 30.786,1122 15.109,1123 2.152,1124 6.666,1125 27.015,1126 3.451,1127 16.48,1128 21.356,1129 10.638,1130 33.111,1131 16.204,1132 1.908,1133 6.124,1134 28.851,1135 3.106,1136 17.571,1137 22.815,1139 35.426,1140 17.272,1141 14804,1142 25180,1143 24.849,1144 35.301,1145 55.685,1146 57.441,1147 54.6,1148 53.785,1149 53.792,1150 76.006,1151 7.229,1152 153.027,1153 52.832,1154 5.415,1155 6.058,1156 6.379,1157 5.155,1158 5.137,1159 7.522,1160 4.069,1161 17.295,1162 5.065,1163 10.846,1164 1.547,1165 1.596,1166 1.517,1167 1.494,1168 1.494,1169 2.111,1170 0.201,1171 4.251,1172 1.468,1173 4.132,1174 4.174,1175 4.102,1176 4.022,1177 7.429,1178 4.035,1179 3.95,1180 4.002,1181 3.899,1182 3.869,1183 6.82,1184 3.868,1185 3.927,1186 3.95,1187 3.879,1188 3.856,1189 5.139,1190 3.853,1191 3.773,1192 3.83,1193 3.726,1194 3.567,1195 5.027,1196 3.606,1197 3.434,1198 3.486,1199 3.383,1200 3.229,1201 4.737,1202 3.26,1203 3.264,1204 3.311,1205 3.217,1206 3.084,1207 4.661,1208 3.108,1209 3.109,1210 3.167,1211 3.041,1212 2.949,1213 4.325,1214 2.956,1215 3.032,1216 3.098,1217 2.908,1218 2.879,1219 3.922,1220 2.882,1221 0.127,1222 0.113,1223 0.183,1224 0.114,1225 0.087,1226 4.578,1227 0.126,1228 4.058,1229 0.057,1230 6.577,1231 0.291,1232 4.114,1233 0.085,1234 3.137,1235 4.522,1236 2.035,1237 10.481,1238 3.065,1239 1.953,1240 1.933,1241 2.046,1242 2.032,1243 1.185,1244 2.035,1245 1.917,1246 1.892,1247 2.021,1248 2.011,1249 1.151,1250 2.017,1251 1.906,1252 1.879,1253 1.996,1254 1.979,1255 1.081,1256 1.985,1257 1.466,1258 1.411,1259 1.618,1260 1.749,1261 0.76,1262 1.697,1263 1.424,1264 1.355,1265 1.543,1266 1.695,1267 0.551,1268 1.67,1269 1.216,1270 1.155,1271 1.337,1272 1.461,1273 0.431,1274 1.414,1275 1.152,1276 1.116,1277 1.24,1278 1.356,1279 0.246,1280 1.314,1281 1.012,1282 0.967,1283 1.205,1284 1.236,1285 0.218,1286 1.221,1287 4.29,1289 5.609,1290 3.045,1291 7.116,1292 5.352,1293 8.702,1294 7.402,1295 10.332,1303 0.63,1305 2.841,1312 9.054,1313 2.038,1314 34.499,1315 75.943,1316 177.996,1317 218.101,1318 257.121,1319 265.121,1320 265.121,1321 48.738,1322 8.353,1323 112.28,1324 112.28,1325 28,1326 12.698,1327 4.907,1328 4.129,1329 45.847,1330 149,1331 154,1332 0.147,1333 211.665,1334 353.65,1335 508.223,1336 58044,1338 21.916,1339 0.685,1340 0.527,1341 21.916,1342 16.857,1343 15.691,1344 0.436,1345 0.276,1346 9.814,1347 15.165,1348 9.629,1349 7.997,1350 15.691,1351 9.935,1352 13.927,1353 0.279,1354 0.145,1355 13.927,1356 7.264,1357 12.122,1358 0.181,1359 0.076,1360 12.122,1361 5.068,1362 10.141,1363 0.115,1364 0.039,1365 10.141,1366 3.459,1367 8.077,1368 0.075,1369 0.021,1370 8.077,1371 2.265,1372 0.235,1373 97.914,1374 0.201,1375 30.299,1376 0.391,1377 172,1378 508.627,1379 186.037,1380 508.544,1381 702.44,1382 474,1383 203,1384 533.209,1385 218.815,1386 543.062,1387 783.11,1388 510,1389 5.5}
{0 CHEMBL1977135,1 1.387,2 10.773,3 2.989,4 8.937,5 87.127,6 7.589,7 0.75,8 3.718,9 3.83,10 3.309,11 3.364,12 4.874,13 3.329,14 4.176,15 4.323,16 3.592,17 3.713,18 5.306,19 3.651,20 4.416,21 4.611,22 3.599,23 3.803,24 5.472,25 3.707,26 4.425,27 4.642,28 3.435,29 3.682,30 5.504,31 3.572,32 4.339,33 4.581,34 3.333,35 3.572,36 5.371,37 3.458,38 4.202,39 4.447,40 3.225,41 3.435,42 5.246,43 3.331,44 3.97,45 4.172,46 3.164,47 3.295,48 5.137,49 3.222,50 3.897,51 4.084,52 3.028,53 3.223,54 5.061,55 3.136,56 0.023,57 0.492,58 6.938,59 3.281,60 5.537,61 4.255,62 0.112,63 0.785,64 11.925,65 5.25,66 13.406,67 6.931,68 0.09,69 0.965,70 16.775,71 7.265,72 21.574,73 9.701,74 0.162,75 0.97,76 18.097,77 7.154,78 34.473,79 9.369,80 0.139,81 0.891,82 17.184,83 6.747,84 29.236,85 9.11,86 0.127,87 0.766,88 15.148,89 5.941,90 26.244,91 7.996,92 0.094,93 0.605,94 11.212,95 4.498,96 21.611,97 5.829,98 0.096,99 0.563,100 10.172,101 4.092,102 22.483,103 5.192,104 2,105 31,106 0.246,107 0.487,108 0.637,109 0.777,110 0.809,111 0.809,112 3.145,113 0.894,114 -4.1,115 -4.05,116 -3.83,119 50,125 1,142 11,143 4,145 2,158 1,172 15,175 3,178 1,180 2,183 17,188 3,193 4,196 12,200 4,205 4,208 6,213 5,218 2,221 6,225 5,230 1,233 8,238 4,243 2,246 10,258 9,263 1,267 1,272 8,276 660,277 15.259,278 15.259,279 15.259,280 15.259,281 15.259,282 13.004,283 7.745,284 9.396,285 15.363,286 11.865,287 11.865,288 11.865,289 11.865,290 11.865,291 8.588,292 9.649,293 4.49,294 11.991,295 3.861,296 2.498,297 1.653,298 0.862,299 0.684,300 0.684,301 3.833,304 1,305 1,306 1,307 512,308 2.646,312 237.017,319 1.884,320 13.152,321 1,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 46,332 237,333 4.283,334 3.561,335 6.165,336 3.912,337 2.911,338 3.925,339 1.081,340 9.109,341 2.913,342 4.039,343 2.845,344 5.987,345 3.702,346 2.7,347 3.517,348 0.473,349 8.453,350 2.7,351 3.883,352 2.723,353 5.337,354 3.489,355 2.491,356 3.433,358 6.955,359 2.486,360 3.392,361 2.126,362 4.541,363 2.894,364 1.913,365 2.769,367 4.759,368 1.874,369 2.978,370 1.717,371 4.129,372 2.556,373 1.578,374 2.143,376 3.713,377 1.542,378 2.865,379 1.644,380 3.607,381 2.382,382 1.391,383 1.987,385 3.053,386 1.371,387 2.548,388 1.13,389 3.486,390 2.037,391 1.071,392 1.547,394 2.61,395 1.031,396 2.5,397 1.054,398 3.414,399 2,400 1,401 1.5,403 2.275,404 1,405 2.5,406 1,407 3.247,408 2,409 1,410 1.5,412 2.136,413 1,414 2.5,415 1,416 3.247,417 1.984,418 1,419 1.5,421 2.136,422 0.983,423 1.758,424 1,425 2.936,426 1.439,427 0.446,428 0.551,430 1.008,431 0.439,432 1.044,433 0.015,434 2.412,435 0.628,436 -0.371,437 -0.489,439 -0.865,440 -0.369,441 0.789,442 -0.305,443 2.1,444 0.403,445 -0.61,446 -0.806,448 -1.337,449 -0.614,450 0.595,451 -0.747,452 2,453 0.11,454 -0.89,455 -1.292,457 -1.963,458 -0.888,459 0.5,460 -0.943,461 1.555,463 -1,464 -1.5,466 -2.347,467 -0.946,468 10.633,469 0.483,470 0.346,471 0.016,472 32.75,473 1.489,474 19.5,475 0.886,476 13.25,477 0.602,478 12.229,479 0.556,480 21.767,481 0.573,482 21.536,483 0.979,484 6.815,485 0.31,486 4.012,487 0.182,488 0.031,490 0.235,496 0.677,497 1.047,498 0.766,499 0.905,500 0.572,501 0.85,502 0.718,503 1.026,504 0.974,505 1.005,506 0.643,507 1.007,508 0.878,509 1.117,510 1.002,511 1.115,512 0.886,513 1.08,514 1.447,515 1.103,516 1.165,517 1.098,518 1.512,519 1.107,520 1.161,521 0.963,522 0.975,523 0.957,524 1.165,525 0.949,526 1.207,527 0.869,528 0.889,529 0.867,530 1.273,531 0.851,532 1.451,533 0.981,534 0.955,535 0.951,536 1.541,537 0.915,538 1.667,539 1.134,540 1.216,541 1.127,542 1.813,543 1.134,544 3,545 0.045,546 2.222,547 0.75,548 0.484,549 0.604,550 0.384,551 0.137,552 0.086,553 0.104,554 5738,555 14662,556 2.125,557 42.1,559 13,561 2,562 1,567 1.638,568 2.063,569 3.414,570 -0.399,571 1,572 1,574 1,577 52.711,578 1.387,579 2.75,580 3.595,581 4.386,582 4.564,583 4.564,584 2.88,585 3.698,586 4.429,587 3.559,588 822.174,589 7.573,590 9412.96,591 1,592 1,593 1,594 1,595 199.421,596 1.023,597 4.423,598 0.125,599 0.005,600 0.072,601 0.025,602 0.02,603 0.027,604 0.019,605 0.007,606 0.005,607 0.009,608 0.314,609 0.83,610 1,611 0.405,612 103.547,613 -0.025,614 -0.022,615 0.034,616 0.021,617 -0.045,618 0.031,619 0.065,620 0.003,621 -0.12,622 -0.077,623 -0.001,624 -0.109,625 -0.018,626 -0.159,627 -0.07,628 -0.143,629 -0.004,630 -0.118,631 -0.155,632 -0.133,633 -0.165,634 -0.132,635 -0.14,636 -0.148,637 -0.047,638 0.001,639 0.047,640 0.027,641 -0.021,642 0.045,643 -0.027,644 0.082,645 0.146,646 0.127,647 0.011,648 0.152,649 -0.081,650 -0.015,651 0.038,652 0.018,653 -0.005,654 0.038,655 -0.214,656 -0.162,657 -0.242,658 -0.173,659 -0.197,660 -0.207,661 1.731,662 5.145,663 0.818,664 20.727,665 0.993,666 1.108,667 2.872,668 8.246,669 0.705,670 3.219,671 3.466,672 3.689,673 3.85,674 4.043,675 3.97,676 4.078,677 4.043,678 4.078,679 4.111,680 6.322,681 0.67,682 288.37,683 3.219,684 4.71,685 5.525,686 6.354,687 7.183,688 8.017,689 8.851,690 9.688,691 10.524,692 11.363,693 5.3,700 1,703 1,709 13,710 1,714 4,716 18,723 1,735 38,737 19,738 2,739 24,741 40,742 19,743 17,744 3,745 9,746 1,748 3,749 3,762 18,763 1,767 1,772 1,776 1,779 1,780 1,783 16,784 3,785 1,786 3,792 2,797 1,798 1,809 1,816 3,843 3,851 22,858 1,860 1,874 2.6,877 1,881 10.667,882 6.7,883 4.972,884 2.168,886 3.057,887 1.459,888 1.005,889 4.38,890 9.715,891 3.555,892 4.103,893 4.652,894 5.154,895 5.683,896 5.719,897 6.135,898 6.345,899 6.642,900 6.919,901 1,902 30,903 8.09,905 3.345,906 7.697,907 15.47,909 12.33,911 2.197,912 48.333,916 176.567,917 141.886,918 34.796,920 25.145,923 141.886,924 201.711,925 34.796,927 20.116,928 104.239,929 70.177,930 30.837,932 153.024,934 176.567,935 176.682,936 25.145,939 176.567,940 25.145,943 38.211,944 121.686,945 16.786,947 176.567,948 59.941,949 141.886,952 176.567,953 19.553,954 122.334,955 18.011,956 41.93,957 176.567,958 59.941,959 141.886,961 0.563,962 0.323,963 0.166,964 0.089,965 14,966 5,967 0.1,968 4,970 1,971 3.637,972 160.487,974 18,975 86.107,981 14.183,982 6.794,983 3.672,985 59.941,986 24.88,987 4.006,991 3.909,993 18.011,994 378.394,995 34,1000 12.145,1004 -0.065,1007 37.716,1008 42.112,1009 0.264,1010 0.524,1011 0.685,1012 0.836,1013 0.87,1014 0.87,1015 4.723,1016 1,1017 5.451,1018 2.61,1019 4.143,1020 4.787,1021 1.331,1022 6.159,1023 4.127,1024 5.894,1025 1,1026 6.942,1027 2.275,1028 3.434,1029 4.205,1031 6.862,1032 3.449,1033 7.155,1034 1,1035 8.536,1036 2.136,1037 5.631,1038 6.897,1039 1.343,1040 9.919,1041 5.61,1042 8.454,1043 0.446,1044 10.195,1045 2.136,1046 5.802,1047 7.157,1049 11.5,1050 5.816,1051 9.784,1052 -0.371,1053 11.896,1054 1.008,1055 7.392,1056 9.257,1057 1.438,1058 14.01,1059 7.373,1060 11.137,1061 -0.61,1062 13.626,1063 -0.865,1064 7.987,1065 9.941,1067 15.933,1068 7.997,1069 12.508,1070 -0.89,1071 15.376,1072 -1.337,1073 9.293,1074 11.737,1075 1.555,1076 18.246,1077 9.281,1078 2.911,1079 -1,1080 17.14,1081 -1.963,1082 10.104,1083 12.667,1085 20.315,1086 10.112,1087 2.7,1088 9.109,1089 18.913,1090 -2.347,1091 11.273,1092 14.288,1093 1.679,1094 22.552,1095 11.267,1096 2.491,1097 8.453,1098 20.693,1099 3.925,1100 12.196,1101 15.37,1103 24.685,1104 12.203,1105 1.913,1106 6.955,1107 22.478,1108 3.517,1109 13.299,1110 16.884,1111 1.807,1112 26.892,1113 13.298,1114 1.578,1115 4.759,1116 24.268,1117 3.433,1118 14.281,1119 18.064,1121 29.056,1122 14.288,1123 1.391,1124 3.713,1125 26.06,1126 2.769,1127 15.353,1128 19.514,1129 1.939,1130 31.253,1131 15.356,1132 1.071,1133 3.053,1134 27.856,1135 2.143,1136 16.367,1137 20.757,1139 33.431,1140 16.375,1141 5469,1142 8834,1143 16.583,1144 26.796,1145 35.326,1146 36.042,1147 35.36,1148 34.974,1149 35,1150 48.746,1151 3.107,1152 92.412,1153 34.676,1154 5.148,1155 5.561,1156 5.967,1157 4.947,1158 4.911,1159 6.925,1160 2.162,1161 15.281,1162 4.913,1163 5.589,1164 1.472,1165 1.502,1166 1.473,1167 1.457,1168 1.458,1169 2.031,1170 0.129,1171 3.85,1172 1.445,1173 4.009,1174 4.036,1175 3.958,1176 3.947,1177 7.429,1178 3.946,1179 3.903,1180 3.936,1181 3.83,1182 3.843,1183 4.928,1184 3.835,1185 3.744,1186 3.782,1187 3.685,1188 3.638,1189 4.756,1190 3.644,1191 3.399,1192 3.46,1193 3.312,1194 3.183,1195 4.645,1196 3.204,1197 3.03,1198 3.065,1199 2.926,1200 2.895,1201 4.048,1202 2.898,1203 2.854,1204 2.925,1205 2.687,1206 2.735,1207 3.784,1208 2.715,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.674,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.674,1220 2.715,1221 0.178,1222 0.148,1223 0.257,1224 0.163,1225 0.121,1226 4.283,1227 0.164,1228 3.561,1229 0.045,1230 6.165,1231 0.38,1232 3.912,1233 0.121,1234 2.911,1235 3.925,1236 1.081,1237 9.109,1238 2.913,1239 1.978,1240 1.956,1241 2.07,1242 2.059,1243 1.178,1244 2.064,1245 1.907,1246 1.877,1247 2.035,1248 1.995,1249 1.142,1250 2.01,1251 1.717,1252 1.682,1253 1.838,1254 1.849,1255 0.866,1256 1.848,1257 1.328,1258 1.267,1259 1.552,1260 1.578,1261 0.677,1262 1.572,1263 0.994,1264 0.961,1265 1.181,1266 1.178,1267 0.218,1268 1.171,1269 0.886,1270 0.821,1271 1.181,1272 1.062,1273 0.218,1274 1.107,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.886,1282 0.821,1283 1.149,1284 1.062,1285 0.209,1286 1.107,1287 3.892,1289 5.153,1291 6.621,1293 8.17,1295 9.756,1303 0.534,1305 2.926,1314 25.445,1315 52.711,1316 104.507,1317 136.613,1318 166.666,1319 173.421,1320 173.421,1321 28.989,1322 6.658,1323 41.99,1324 41.99,1325 18,1326 11.93,1327 4.322,1328 3.459,1329 34.754,1330 83,1331 74,1332 0.202,1333 159.156,1334 271.87,1335 380.1,1336 6667,1338 15.2,1339 0.691,1340 0.549,1341 15.2,1342 12.068,1343 10.826,1344 0.451,1345 0.298,1346 7.102,1347 10.615,1348 6.935,1349 5.795,1350 10.826,1351 7.154,1352 9.132,1353 0.295,1354 0.161,1355 9.132,1356 4.982,1357 7.693,1358 0.197,1359 0.089,1360 7.693,1361 3.457,1362 6.001,1363 0.13,1364 0.049,1365 6.001,1366 2.239,1367 4.792,1368 0.086,1369 0.026,1370 4.792,1371 1.466,1372 0.324,1373 66.49,1374 0.246,1375 22.301,1376 0.532,1377 110,1378 295.714,1379 115.323,1380 296.334,1381 405.8,1382 278,1383 125,1384 293.439,1385 130.157,1386 303.434,1387 434.86,1388 286,1389 5.1}
{0 CHEMBL1977148,1 1.698,2 16.417,3 3.158,4 9.97,5 142.245,6 8.344,7 0.675,8 4.218,9 4.329,10 3.908,11 3.787,12 5.414,13 3.77,14 4.694,15 4.836,16 4.262,17 4.176,18 5.867,19 4.137,20 4.889,21 5.063,22 4.312,23 4.297,24 6.002,25 4.233,26 4.959,27 5.139,28 4.387,29 4.342,30 6.111,31 4.256,32 5.001,33 5.209,34 4.277,35 4.286,36 6.126,37 4.183,38 4.837,39 5.04,40 4.1,41 4.136,42 5.932,43 4.057,44 4.77,45 4.972,46 4.055,47 4.097,48 5.893,49 4.01,50 4.81,51 5.022,52 4.016,53 4.077,54 5.9,55 3.974,56 0.131,57 0.929,58 10.874,59 5.178,60 15.941,61 5.914,62 0.39,63 1.443,64 20.996,65 8.798,66 36.354,67 10.182,68 0.44,69 1.703,70 26.467,71 10.521,72 43.894,73 12.539,74 0.355,75 1.842,76 30.844,77 12.094,78 40.536,79 14.795,80 0.55,81 1.867,82 39.384,83 13.287,84 61.99,85 15.874,86 0.381,87 1.567,88 28.407,89 10.457,90 51.199,91 12.88,92 0.473,93 1.504,94 26.155,95 9.569,96 45.564,97 12.186,98 0.395,99 1.489,100 29.738,101 11.032,102 42.042,103 13.732,104 22,105 56,106 0.27,107 0.651,108 0.793,109 0.841,110 0.857,111 0.862,112 3.615,113 0.904,114 -3.62,115 -3.59,116 -3.42,119 43.3,124 1,125 2,142 8,143 5,144 3,145 2,147 1,151 2,152 1,159 1,163 1,164 1,165 1,166 1,172 9,175 6,177 1,178 3,179 1,180 5,183 13,185 1,188 6,191 1,193 5,196 12,198 1,200 6,203 1,205 8,208 6,210 3,212 2,213 10,216 1,218 9,221 5,223 3,225 5,230 5,233 8,235 2,237 1,238 3,240 2,241 3,243 2,246 10,250 5,253 2,254 1,255 4,257 1,258 6,264 7,269 3,272 4,276 2612,277 24.773,278 24.773,279 24.773,280 24.773,281 24.773,282 21.508,283 23.252,284 14.576,285 25.422,286 19.662,287 19.662,288 19.662,289 19.662,290 19.662,291 14.638,292 27.981,293 6.778,294 20.622,295 4.209,296 1.811,297 0.913,298 0.613,299 0.513,300 0.479,301 4.321,306 1,307 1292,308 3.674,311 181.617,312 357.409,315 161.407,319 2.551,320 31.825,323 0.75,324 0.67,325 0.83,326 0.5,328 0.67,329 0.5,330 0.56,331 78,332 591,333 4.748,334 3.562,335 7.013,336 4.283,337 3.316,338 4.726,339 1.656,340 11.98,341 3.207,342 4.25,343 3.328,344 6.353,345 3.865,346 2.881,347 3.889,348 0.86,349 9.667,350 2.835,351 4.081,352 2.902,353 5.785,354 3.693,355 2.728,356 3.66,357 0.247,358 7.918,359 2.626,360 4.015,361 2.861,362 5.592,363 3.579,364 2.612,365 3.626,367 7.654,368 2.524,369 3.78,370 2.656,371 5.418,372 3.403,373 2.443,374 3.172,376 7.141,377 2.336,378 3.612,379 2.446,380 5.366,381 3.223,382 2.267,383 2.953,385 6.786,386 2.161,387 3.509,388 2.378,389 5.156,390 3.114,391 2.167,392 2.846,394 6.395,395 2.05,396 3.315,397 2.269,398 4.941,399 2.841,400 1.903,401 2.603,403 5.361,404 1.793,405 3.194,406 1.928,407 4.636,408 2.729,409 1.773,410 2.395,412 4.922,413 1.649,414 2.863,415 1.609,416 4.442,417 2.427,418 1.46,419 1.999,421 4.106,422 1.407,423 2.557,424 1.321,425 4.017,426 2.037,427 1.088,428 1.583,430 2.946,431 1.022,432 2.5,433 1.161,434 3.604,435 2,436 1,437 1.5,439 2.275,440 1,441 2.5,442 1.091,443 3.414,444 2,445 1,446 1.5,448 2.275,449 1,450 2.304,451 1,452 3.414,453 1.915,454 1,455 1.235,457 2.154,458 0.905,459 2.156,460 1,461 3.284,462 1.64,463 0.775,464 1.021,466 1.74,467 0.658,468 17.233,469 0.479,470 0.794,471 0.022,472 51,473 1.417,474 27.5,475 0.764,476 23.5,477 0.653,478 28.213,479 0.784,480 37.367,481 0.623,482 41.353,483 1.149,484 10.213,485 0.284,486 7.337,487 0.204,488 0.091,490 0.342,496 0.912,497 1.087,498 0.736,499 0.857,500 0.842,501 0.808,502 0.935,503 0.966,504 0.882,505 0.859,506 0.711,507 0.838,508 1.062,509 0.965,510 0.933,511 0.844,512 0.966,513 0.914,514 0.776,515 1.225,516 0.998,517 1.149,518 0.718,519 1.077,520 0.931,521 1.075,522 1.28,523 1.212,524 1.137,525 1.043,526 1.017,527 1.138,528 1.005,529 1.007,530 1.148,531 0.999,532 0.653,533 0.989,534 1.028,535 1.046,536 0.693,537 1.059,538 0.732,539 1.077,540 1.061,541 1.198,542 0.777,543 1.122,544 7,545 0.133,546 3.778,547 2.25,548 2.109,549 1.366,550 0.819,551 0.501,552 0.364,553 0.378,554 22216,555 65012,556 2.12,557 40,559 15,560 2,561 2,562 5,567 1.77,568 2,569 3.943,570 2.272,577 101.898,578 1.698,579 4.096,580 4.994,581 5.294,582 5.394,583 5.428,584 3.507,585 4.781,586 5.134,587 4.113,588 2591.05,589 9.002,590 43030.2,595 354.413,596 1.352,597 5.109,598 0.175,599 0.004,600 0.067,601 0.039,602 0.037,603 0.027,604 0.018,605 0.012,606 0.009,607 0.011,608 0.399,609 0.17,610 0.75,611 0.871,612 200.061,613 -0.092,614 0.041,615 0.037,616 0.08,617 -0.142,618 0.065,619 -0.003,620 0.116,621 0.008,622 0.121,623 0.015,624 0.073,625 -0.157,626 0.084,627 -0.041,628 0.112,629 -0.129,630 0.021,631 -0.002,632 -0.189,633 0.025,634 -0.098,635 0.048,636 -0.095,637 -0.02,638 -0.054,639 -0.075,640 -0.086,641 -0.035,642 -0.029,643 -0.129,644 -0.14,645 -0.047,646 -0.031,647 -0.116,648 -0.02,649 0.114,650 0.048,651 -0.081,652 -0.072,653 0.03,654 -0.088,655 0.085,656 -0.108,657 -0.032,658 -0.164,659 0.062,660 -0.101,661 2.006,662 5.387,663 0.722,664 50.284,665 1.01,666 1.121,667 2.385,668 5.689,669 0.698,670 3.714,671 4.043,672 4.344,673 4.644,674 4.86,675 4.997,676 5.165,677 5.328,678 5.438,679 5.545,680 8.992,681 0.67,682 500.63,683 3.714,684 5.263,685 6.125,686 7.013,687 7.894,688 8.79,689 9.681,690 10.583,691 11.481,692 12.388,693 10,697 1,700 2,701 1,703 2,708 2,709 12,710 2,713 1,714 8,715 1,716 27,727 1,733 1,735 60,737 28,738 2,739 40,741 64,742 26,743 22,744 4,745 8,748 5,749 6,753 1,754 1,762 23,763 3,767 1,772 1,776 1,783 24,784 8,785 5,786 10,787 1,792 6,797 0.8,798 3,799 1,807 1,809 1,815 2,816 3,819 1,841 1,843 4,845 1,847 1,851 36,852 1,857 1,858 2,860 2,861 1,869 1,874 5,875 1,877 1,879 1,881 18,882 10.883,883 8,884 3.24,886 5.096,887 1.59,888 1.008,889 7.18,890 13.729,891 4.016,892 4.659,893 5.298,894 5.957,895 6.492,896 6.896,897 7.391,898 7.888,899 8.271,900 8.676,901 1,902 57,903 13.233,905 5.637,906 7.796,907 25.032,909 20.448,911 2.296,912 82.667,916 223.651,917 188.289,918 104.144,920 78.828,922 31.278,923 157.012,924 302.479,925 104.144,926 10.883,927 38.127,928 168.087,929 82.136,930 56.943,931 30.892,932 207.844,934 223.651,935 261.156,936 78.828,937 31.278,939 223.651,940 36.145,941 42.683,943 57.999,944 169.708,945 33.449,946 31.278,947 223.651,948 182.972,949 188.289,952 223.651,953 66.805,954 123.261,955 36.022,956 145.174,957 223.651,958 182.972,959 188.289,961 0.576,962 0.342,963 0.191,964 0.102,965 27,966 12,967 0.109,968 7,969 1,970 1.077,971 4.743,972 344.274,973 0.077,974 26,975 178.117,977 1,981 24.249,982 10.66,983 5.238,984 1.896,985 181.195,986 22.144,987 8.731,990 1.591,991 6.279,992 1.697,993 111.602,994 594.912,995 54.5,1000 12.387,1004 -0.339,1007 60.622,1008 67.275,1009 0.288,1010 0.693,1011 0.846,1012 0.896,1013 0.913,1014 0.919,1015 5.246,1016 1.903,1017 6.107,1018 6.395,1019 4.727,1020 5.347,1021 1.985,1022 6.93,1023 4.642,1024 6.466,1025 1.773,1026 7.669,1027 5.361,1028 4.29,1029 5.165,1030 1.195,1031 7.856,1032 4.195,1033 7.782,1034 1.46,1035 9.33,1036 4.922,1037 6.33,1038 7.607,1039 2.508,1040 10.979,1041 6.18,1042 9.137,1043 1.088,1044 11.051,1045 4.106,1046 6.735,1047 8.293,1048 2.324,1049 12.785,1050 6.569,1051 10.525,1052 1,1053 12.813,1054 2.946,1055 8.218,1056 10.176,1057 3.275,1058 15.445,1059 8.013,1060 11.937,1061 1,1062 14.605,1063 2.275,1064 9.014,1065 11.285,1066 3.407,1067 17.634,1068 8.787,1069 13.368,1070 1,1071 16.421,1072 2.275,1073 10.285,1074 12.948,1075 4.165,1076 20.155,1077 10.026,1078 3.316,1079 0.775,1080 18.256,1081 2.154,1082 11.274,1083 14.274,1084 4.464,1085 22.51,1086 10.986,1087 2.881,1088 11.98,1089 20.107,1090 1.74,1091 12.466,1092 15.85,1093 5.114,1094 24.993,1095 12.149,1096 2.728,1097 9.667,1098 21.972,1099 4.726,1100 13.55,1101 17.287,1102 5.504,1103 27.418,1104 13.201,1105 2.612,1106 7.918,1107 23.849,1108 3.889,1109 14.72,1110 18.833,1111 6.092,1112 29.892,1113 14.34,1114 2.443,1115 7.654,1116 25.736,1117 3.66,1118 15.851,1119 20.325,1120 6.531,1121 32.347,1122 15.439,1123 2.267,1124 7.141,1125 27.631,1126 3.626,1127 17.02,1128 21.865,1129 7.084,1130 34.822,1131 16.575,1132 2.167,1133 6.786,1134 29.534,1135 3.172,1136 18.176,1137 23.385,1138 7.551,1139 37.29,1140 17.698,1141 20863,1142 35835,1143 27.046,1144 41.898,1145 60.027,1146 61.061,1147 61.86,1148 59.37,1149 59.467,1150 80.782,1151 5.526,1152 171.938,1153 56.675,1154 5.615,1155 5.562,1156 6.784,1157 5.396,1158 5.316,1159 7.726,1160 2.912,1161 19.548,1162 5.207,1163 16.962,1164 1.501,1165 1.527,1166 1.547,1167 1.484,1168 1.487,1169 2.02,1170 0.138,1171 4.298,1172 1.417,1173 4.141,1174 4.159,1175 4.346,1176 4.136,1177 7.431,1178 4.099,1179 3.932,1180 3.973,1181 3.882,1182 3.835,1183 6.456,1184 3.838,1185 3.904,1186 3.94,1187 3.873,1188 3.803,1189 5.191,1190 3.806,1191 3.801,1192 3.841,1193 3.793,1194 3.671,1195 4.931,1196 3.676,1197 3.453,1198 3.495,1199 3.446,1200 3.252,1201 4.873,1202 3.257,1203 3.384,1204 3.435,1205 3.388,1206 3.141,1207 4.767,1208 3.177,1209 3.27,1210 3.328,1211 3.228,1212 3.1,1213 4.563,1214 3.089,1215 3.199,1216 3.261,1217 3.059,1218 2.938,1219 4.409,1220 2.942,1221 0.119,1222 0.089,1223 0.175,1224 0.107,1225 0.083,1226 4.748,1227 0.118,1228 3.562,1229 0.041,1230 7.013,1231 0.299,1232 4.283,1233 0.08,1234 3.316,1235 4.726,1236 1.656,1237 11.98,1238 3.207,1239 1.966,1240 1.947,1241 2.037,1242 2.047,1243 1.191,1244 2.044,1245 1.883,1246 1.858,1247 1.986,1248 1.997,1249 1.079,1250 1.993,1251 1.844,1252 1.826,1253 1.896,1254 1.932,1255 1.061,1256 1.934,1257 1.59,1258 1.522,1259 1.8,1260 1.865,1261 1.017,1262 1.845,1263 1.452,1264 1.426,1265 1.576,1266 1.629,1267 0.69,1268 1.603,1269 1.294,1270 1.257,1271 1.538,1272 1.539,1273 0.576,1274 1.544,1275 1.231,1276 1.199,1277 1.387,1278 1.467,1279 0.507,1280 1.467,1281 1.132,1282 1.066,1283 1.265,1284 1.387,1285 0.279,1286 1.352,1287 4.394,1289 5.72,1290 3.045,1291 7.236,1292 5.352,1293 8.842,1294 7.434,1295 10.5,1297 1.594,1301 6.295,1302 9.17,1303 0.452,1305 5.638,1306 5.133,1314 40.201,1315 101.898,1316 245.742,1317 299.659,1318 317.659,1319 323.659,1320 325.659,1321 58.536,1322 8.633,1323 127.32,1324 155.56,1325 28,1326 12.907,1327 4.858,1328 3.954,1329 54.854,1330 193,1331 226,1332 0.137,1333 249.034,1334 418.62,1335 599.402,1336 81394,1338 25.07,1339 0.696,1340 0.562,1341 25.424,1342 20.25,1343 17.55,1344 0.439,1345 0.301,1346 11.073,1347 16.383,1348 10.754,1349 8.911,1350 18.005,1351 12.053,1352 15.581,1353 0.278,1354 0.159,1355 16.105,1356 8.891,1357 13.381,1358 0.176,1359 0.088,1360 14.085,1361 6.713,1362 11.563,1363 0.112,1364 0.049,1365 12.531,1366 5.034,1367 9.082,1368 0.071,1369 0.026,1370 9.949,1371 3.334,1372 0.222,1373 114.869,1374 0.192,1375 33.6,1376 0.356,1377 192,1378 573.394,1379 231.694,1380 577.537,1381 794.66,1382 542,1383 228,1384 574.376,1385 266.186,1386 598.809,1387 873.19,1388 562,1389 7.9}
{0 CHEMBL1977223,1 1.546,2 12.074,3 3.692,4 13.629,5 105.211,6 7.669,7 0.7,8 3.963,9 4.096,10 3.564,11 3.506,12 5.103,13 3.493,14 4.461,15 4.635,16 3.895,17 3.885,18 5.544,19 3.849,20 4.674,21 4.893,22 3.858,23 3.939,24 5.711,25 3.873,26 4.689,27 4.931,28 3.828,29 3.863,30 5.75,31 3.804,32 4.579,33 4.805,34 3.788,35 3.772,36 5.717,37 3.74,38 4.499,39 4.724,40 3.727,41 3.747,42 5.574,43 3.696,44 4.462,45 4.694,46 3.619,47 3.699,48 5.522,49 3.627,50 4.376,51 4.605,52 3.425,53 3.644,54 5.389,55 3.537,56 0.1,57 0.761,58 9.097,59 3.933,60 8.663,61 5.177,62 0.173,63 1.175,64 16.479,65 6.47,66 16.977,67 8.937,68 0.24,69 1.327,70 22.731,71 7.879,72 35.537,73 11.101,74 0.314,75 1.318,76 24.151,77 7.292,78 40.401,79 10.714,80 0.348,81 1.193,82 21.406,83 6.042,84 45.377,85 8.647,86 0.265,87 1.14,88 19.115,89 6.102,90 29.429,91 8.743,92 0.341,93 1.08,94 18.681,95 6.191,96 29.827,97 8.71,98 0.201,99 0.94,100 17.081,101 6.35,102 29.321,103 8.973,104 9,105 41,106 0.26,107 0.637,108 0.786,109 0.858,110 0.868,111 0.868,112 3.34,113 0.895,114 -4.31,115 -4.25,116 -4.01,119 42.6,120 1,121 2,125 1,142 8,143 3,146 2,151 1,153 1,158 1,166 2,168 1,172 12,174 1,175 5,178 1,179 1,180 3,183 11,188 10,191 1,193 4,196 5,200 14,203 1,205 6,208 1,212 1,213 11,218 2,221 3,224 1,225 6,228 2,230 1,233 8,237 2,238 3,241 4,246 12,249 1,250 1,258 12,263 2,264 4,269 2,272 7,276 1174,277 18.679,278 18.679,279 18.679,280 18.679,281 18.679,282 16.113,283 16.433,284 11.287,285 18.871,286 14.835,287 14.835,288 14.835,289 14.835,290 14.835,291 10.947,292 24.041,293 5.356,294 15.136,295 4.008,296 1.767,297 0.883,298 0.458,299 0.399,300 0.399,301 4.039,304 1,305 1,306 1,307 708,308 3.24,311 135.343,312 162.142,315 112.253,319 1.94,320 19.155,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 58,332 326,333 4.575,334 3.598,335 6.573,336 4.107,337 3.131,338 4.521,339 1.907,340 10.467,341 3.058,342 4.236,343 3.124,344 6.145,345 3.826,346 2.861,347 3.878,348 0.522,349 9.109,350 2.76,351 3.917,352 2.959,353 5.548,354 3.549,355 2.561,356 3.451,357 0.149,358 7.561,359 2.529,360 3.699,361 2.692,362 5.288,363 3.367,364 2.365,365 3.049,367 6.644,368 2.361,369 3.55,370 2.221,371 5.047,372 3.118,373 2.14,374 2.871,376 6.084,377 2.086,378 3.255,379 1.993,380 4.817,381 2.802,382 1.831,383 2.529,385 5.241,386 1.771,387 2.939,388 1.563,389 4.297,390 2.483,391 1.496,392 2.123,394 3.955,395 1.476,396 2.781,397 1.355,398 4.042,399 2.297,400 1.32,401 1.905,403 3.226,404 1.286,405 2.608,406 1.353,407 3.576,408 2.143,409 1.166,410 1.655,412 2.945,413 1.137,414 2.5,415 1.2,416 3.292,417 2.006,418 1.007,419 1.5,421 2.136,422 1.002,423 2.217,424 1,425 3.262,426 2,427 1,428 1.126,430 1.861,431 1,432 2.144,433 0.821,434 3.247,435 1.71,436 0.73,437 1.041,439 1.677,440 0.714,441 2.061,442 0.676,443 3.045,444 1.599,445 0.61,446 0.876,448 1.404,449 0.602,450 1.195,451 0.373,452 2.773,453 0.876,454 -0.095,455 -0.118,457 -0.249,458 -0.092,459 1.106,460 0.111,461 2.485,462 0.736,463 -0.228,464 -0.274,466 -0.523,467 -0.219,468 12.733,469 0.472,470 0.533,471 0.02,472 37,473 1.37,474 20,475 0.741,476 17,477 0.63,478 19.509,479 0.723,480 28.067,481 0.597,482 26.296,483 0.974,484 7.328,485 0.271,486 5.897,487 0.218,488 0.065,490 0.306,496 0.62,497 1.058,498 0.748,499 0.978,500 0.555,501 0.897,502 0.664,503 1.186,504 0.825,505 1.064,506 0.581,507 0.983,508 1.091,509 1.14,510 0.992,511 1.05,512 1.143,513 1.018,514 1.195,515 1.142,516 0.97,517 0.954,518 1.085,519 0.927,520 1.594,521 1.068,522 1.038,523 0.835,524 1.572,525 0.848,526 1.079,527 1.039,528 0.981,529 0.956,530 0.918,531 0.947,532 0.968,533 0.762,534 1.06,535 0.932,536 0.958,537 0.993,538 0.828,539 0.976,540 1.06,541 1.095,542 0.873,543 1.111,544 5,545 0.093,546 2.444,547 1.514,548 1.049,549 0.764,550 0.485,551 0.368,552 0.138,553 0.203,554 9568,555 24500,556 2.142,557 42.6,558 5,559 10,560 1,562 2,563 2,567 1.699,568 2.051,569 3.555,570 0.267,572 1,577 72.679,578 1.546,579 3.787,580 4.671,581 5.097,582 5.156,583 5.156,584 3.069,585 4.459,586 4.721,587 3.7,588 1298.77,589 8.188,590 16964.8,592 1,594 1,595 261.066,596 1.218,597 4.706,598 0.167,599 0.005,600 0.06,601 0.04,602 0.029,603 0.022,604 0.015,605 0.013,606 0.006,607 0.009,608 0.364,609 0.17,610 1,611 1.159,612 135.282,613 0.156,614 0.129,615 0.061,616 0.026,617 0.012,618 0.023,619 0.142,620 -0.088,621 0.047,622 -0.066,623 0.063,624 -0.033,625 -0.091,626 -0.138,627 -0.036,628 -0.069,629 -0.108,630 -0.051,631 -0.071,632 -0.146,633 0.032,634 -0.016,635 -0.014,636 0.019,637 -0.206,638 -0.035,639 -0.03,640 0.076,641 -0.097,642 0.056,643 -0.029,644 0.011,645 -0.015,646 -0.019,647 -0.008,648 -0.016,649 0.08,650 0.278,651 -0.088,652 0.009,653 -0.034,654 -0.056,655 0.002,656 -0.017,657 -0.109,658 -0.077,659 0.02,660 -0.102,661 1.692,662 4.901,663 0.741,664 29.015,665 1.003,666 1.13,667 3.082,668 9.502,669 0.677,670 3.434,671 3.738,672 4.007,673 4.29,674 4.466,675 4.585,676 4.762,677 4.905,678 4.977,679 5.063,680 6.892,681 0.65,682 360.46,683 3.434,684 4.963,685 5.808,686 6.681,687 7.546,688 8.427,689 9.303,690 10.189,691 11.071,692 11.961,693 12.8,700 1,701 2,703 3,708 2,709 9,710 3,711 1,714 4,715 1,716 21,735 47,737 22,738 2,739 30,741 50,742 20,743 15,744 4,745 8,748 4,749 5,754 1,760 2,762 16,763 4,767 1,772 1,776 1,779 1,780 1,783 20,784 5,785 2,786 7,792 6,797 0.75,798 1,807 1,815 2,816 2,819 1,829 1,843 3,847 1,851 27,858 3,860 1,871 1,874 2.1,877 1,881 13.167,882 8.717,883 6,884 2.952,886 4.045,887 1.525,888 1.015,889 4.99,890 11.751,891 3.75,892 4.369,893 4.978,894 5.613,895 6.097,896 6.481,897 6.988,898 7.462,899 7.779,900 8.146,901 1,902 38,903 9.934,905 4.192,906 7.691,907 19.025,909 15.484,911 2.191,912 59.167,915 1,916 211.88,917 121.735,918 86.317,920 25.145,923 121.735,924 237.025,925 86.317,926 8.825,927 25.186,928 84.857,929 79.716,930 34.612,931 11.771,932 200.109,934 211.88,935 208.052,936 25.145,939 211.88,940 25.145,943 59.679,944 98.506,945 49.867,947 211.88,948 111.462,949 121.735,952 211.88,953 28.052,954 95.459,955 34.674,956 75.011,957 211.88,958 111.462,959 121.735,961 0.57,962 0.327,963 0.182,964 0.094,965 20,966 8,967 0.12,968 6,969 1,970 1.1,971 4.023,972 228.04,973 0.1,974 20,975 124.382,981 17.44,982 7.726,983 3.91,984 1.65,985 93.022,986 17.885,987 12.76,988 2.896,991 3.483,992 1.814,993 34.674,994 445.077,995 41.5,1000 11.901,1004 -0.026,1007 47.123,1008 53.106,1009 0.278,1010 0.682,1011 0.841,1012 0.918,1013 0.928,1014 0.928,1015 4.958,1016 1.32,1017 5.771,1018 3.955,1019 4.419,1020 5.056,1021 2.027,1022 6.555,1023 4.377,1024 6.163,1025 1.166,1026 7.305,1027 3.226,1028 3.892,1029 4.796,1030 1.593,1031 7.368,1032 3.829,1033 7.464,1034 1.007,1035 8.936,1036 2.945,1037 5.979,1038 7.289,1039 2.912,1040 10.474,1041 5.89,1042 8.803,1043 1,1044 10.627,1045 2.136,1046 6.312,1047 7.922,1048 3.032,1049 12.153,1050 6.196,1051 10.176,1052 0.73,1053 12.358,1054 1.861,1055 7.822,1056 9.83,1057 4.038,1058 14.746,1059 7.684,1060 11.574,1061 0.61,1062 14.116,1063 1.677,1064 8.558,1065 10.896,1066 4.409,1067 16.79,1068 8.39,1069 12.99,1070 -0.095,1071 15.895,1072 1.404,1073 9.83,1074 12.56,1075 5.251,1076 19.207,1077 9.64,1078 3.131,1079 -0.228,1080 17.69,1081 -0.249,1082 10.763,1083 13.844,1084 5.75,1085 21.412,1086 10.542,1087 2.861,1088 10.467,1089 19.498,1090 -0.523,1091 11.936,1092 15.404,1093 6.501,1094 23.769,1095 11.693,1096 2.561,1097 9.109,1098 21.316,1099 4.521,1100 12.964,1101 16.797,1102 7.068,1103 26.044,1104 12.692,1105 2.365,1106 7.561,1107 23.142,1108 3.878,1109 14.099,1110 18.316,1111 7.771,1112 28.382,1113 13.804,1114 2.14,1115 6.644,1116 24.975,1117 3.451,1118 15.175,1119 19.763,1120 8.374,1121 30.689,1122 14.851,1123 1.831,1124 6.084,1125 26.814,1126 3.049,1127 16.297,1128 21.267,1129 9.051,1130 33.023,1131 15.95,1132 1.496,1133 5.241,1134 28.658,1135 2.871,1136 17.397,1137 22.741,1138 9.674,1139 35.346,1140 17.024,1141 9087,1142 14697,1143 20.572,1144 31.819,1145 44.998,1146 45.225,1147 45.371,1148 44.449,1149 44.435,1150 61.051,1151 5.155,1152 124.622,1153 43.565,1154 5.424,1155 5.598,1156 6.375,1157 5.138,1158 5.131,1159 7.521,1160 3.306,1161 17.206,1162 5.058,1163 9.905,1164 1.5,1165 1.507,1166 1.512,1167 1.482,1168 1.481,1169 2.035,1170 0.172,1171 4.154,1172 1.452,1173 4.128,1174 4.171,1175 4.098,1176 4.017,1177 7.429,1178 4.031,1179 3.949,1180 4.001,1181 3.895,1182 3.856,1183 5.139,1184 3.853,1185 3.783,1186 3.838,1187 3.732,1188 3.581,1189 5.027,1190 3.615,1191 3.679,1192 3.736,1193 3.563,1194 3.511,1195 4.736,1196 3.512,1197 3.38,1198 3.454,1199 3.276,1200 3.178,1201 4.326,1202 3.195,1203 3.189,1204 3.257,1205 3.049,1206 2.969,1207 4.107,1208 2.975,1209 3.038,1210 3.108,1211 2.903,1212 2.871,1213 3.898,1214 2.873,1215 2.863,1216 2.93,1217 2.75,1218 2.735,1219 3.799,1220 2.721,1221 0.153,1222 0.12,1223 0.219,1224 0.137,1225 0.104,1226 4.575,1227 0.151,1228 3.598,1229 0.064,1230 6.573,1231 0.349,1232 4.107,1233 0.102,1234 3.131,1235 4.521,1236 1.907,1237 10.467,1238 3.058,1239 1.948,1240 1.927,1241 2.046,1242 2.026,1243 1.192,1244 2.032,1245 1.911,1246 1.881,1247 2.012,1248 2,1249 1.172,1250 2.006,1251 1.68,1252 1.622,1253 1.932,1254 1.888,1255 1.145,1256 1.895,1257 1.458,1258 1.399,1259 1.618,1260 1.711,1261 0.761,1262 1.682,1263 1.398,1264 1.317,1265 1.562,1266 1.695,1267 0.595,1268 1.67,1269 1.214,1270 1.153,1271 1.383,1272 1.46,1273 0.482,1274 1.427,1275 1.078,1276 1.01,1277 1.326,1278 1.359,1279 0.421,1280 1.347,1281 0.886,1282 0.821,1283 1.181,1284 1.071,1285 0.218,1286 1.107,1287 4.111,1289 5.416,1290 3.045,1291 6.905,1292 5.352,1293 8.478,1294 7.402,1295 10.1,1297 1.974,1303 1.946,1305 2.884,1314 30.531,1315 72.679,1316 178.007,1317 219.556,1318 239.556,1319 242.311,1320 242.311,1321 38.684,1322 7.706,1323 88.49,1324 88.49,1325 22,1326 12.492,1327 4.524,1328 3.644,1329 40.325,1330 110,1331 117,1332 0.178,1333 188.532,1334 309.91,1335 451.777,1336 24648,1338 18.64,1339 0.69,1340 0.556,1341 18.64,1342 15.015,1343 13.225,1344 0.441,1345 0.298,1346 8.837,1347 12.736,1348 8.64,1349 7.226,1350 13.225,1351 8.951,1352 11.643,1353 0.284,1354 0.156,1355 11.643,1356 6.416,1357 9.729,1358 0.18,1359 0.08,1360 9.729,1361 4.317,1362 8.378,1363 0.116,1364 0.041,1365 8.378,1366 2.972,1367 6.322,1368 0.074,1369 0.022,1370 6.322,1371 1.865,1372 0.282,1373 82.763,1374 0.22,1375 26.223,1376 0.478,1377 142,1378 404.982,1379 155.344,1380 399.618,1381 555.86,1382 374,1383 166,1384 427.8,1385 180.65,1386 431.464,1387 623.53,1388 406,1389 5.1}
{0 CHEMBL1977346,1 1.847,2 6.294,3 2.361,4 5.575,5 72.832,6 14.088,7 0.632,8 3.351,9 3.456,10 3.462,11 3.045,12 4.611,13 3.002,14 3.788,15 3.899,16 3.97,17 3.423,18 5.078,19 3.363,20 4.079,21 4.235,22 4.067,23 3.566,24 5.333,25 3.496,26 4.054,27 4.24,28 3.917,29 3.43,30 5.395,31 3.339,32 3.874,33 4.071,34 4.089,35 3.23,36 5.228,37 3.135,38 3.398,39 3.581,40 3.528,41 3.013,42 4.621,43 2.735,44 2.898,45 3.111,46 3.267,47 2.578,48 3.941,49 2.243,50 2.27,51 2.484,52 3.186,53 2.369,54 3.093,55 1.768,56 0.083,57 0.402,58 2.916,59 1.61,60 5.389,61 1.402,62 0.136,63 0.622,64 4.724,65 2.861,66 9.476,67 2.6,68 0.228,69 0.824,70 19.115,71 5.207,72 20.084,73 3.962,74 0.345,75 0.762,76 11.21,77 4.613,78 29.846,79 3.583,80 0.271,81 0.619,82 14.041,83 5.464,84 30.836,85 3.962,86 0.145,87 0.387,88 28.113,89 4.732,90 17.557,91 2.95,92 0.089,93 0.228,94 7.009,95 2.179,96 10.488,97 1.747,98 0.031,99 0.132,100 26.464,101 3.379,102 3.74,103 1.94,104 5,105 27,106 0.366,107 0.651,108 0.747,109 0.843,110 0.859,111 0.892,112 2.911,113 0.951,114 -3.14,115 -3.14,116 -3.02,119 45.8,142 5,143 1,144 2,147 2,158 1,166 1,172 4,175 4,178 2,180 4,183 3,188 4,191 1,192 1,193 6,196 2,199 1,200 2,203 2,205 2,208 2,212 1,213 6,216 1,218 2,221 4,225 4,233 2,238 1,246 2,258 2,276 199,277 11.516,278 11.516,279 11.516,280 11.516,281 11.516,282 9.897,283 16.723,284 6.759,285 11.914,286 9.393,287 9.393,288 9.393,289 9.393,290 9.393,291 6.947,292 26.983,293 3.233,294 10.116,295 2.738,296 1.301,297 0.817,298 0.333,299 0.25,300 0.083,301 3.59,305 1,306 1,307 234,308 1.732,312 57.486,313 29.082,317 99.481,319 0.934,320 15.732,323 1,324 0.83,325 1,326 0.4,328 1,329 1,330 0.75,331 36.4,332 107,333 4.442,334 3.625,335 6.526,336 4.076,337 3.106,338 4.069,339 1.058,340 10.276,341 3.011,342 4.106,343 2.934,344 6.075,345 3.676,346 2.707,347 3.733,348 0.4,349 8.798,350 2.629,351 3.579,352 2.846,353 5.183,354 3.131,355 2.205,356 2.906,358 6.235,359 2.048,360 3.373,361 2.448,362 4.961,363 2.9,364 2.062,365 2.596,367 5.824,368 1.533,369 2.901,370 1.645,371 4.227,372 2.435,373 1.446,374 2.078,376 3.723,377 1.417,378 2.795,379 1.485,380 3.842,381 2.337,382 1.364,383 1.912,385 3.106,386 1.287,387 2.529,388 1.29,389 3.594,390 2.003,391 1,392 1.478,394 2.564,395 0.996,396 1.607,397 0.696,398 2.991,399 1.212,400 0.288,401 0.358,403 0.71,404 0.206,405 1.286,406 0.447,407 2.785,408 0.931,414 0.827,415 -0.056,416 2.353,417 0.365,418 -0.534,419 -0.66,421 -1.345,422 -0.215,423 0.688,424 -0.291,425 2,426 0.164,427 -0.789,428 -1.127,430 -2.142,431 -0.727,432 0.47,433 -0.84,434 2,435 0.01,436 -1,437 -1.313,439 -2.458,440 -0.819,441 0.349,442 -0.86,443 1.719,444 -0.137,445 -1,446 -1.467,448 -2.691,449 -1.013,450 -0.049,451 -1.226,452 1.457,453 -0.54,454 -1.367,455 -1.85,457 -3.622,458 -1.19,459 -0.31,460 -1.401,461 1.167,462 -0.828,463 -1.638,464 -2.16,466 -4.671,467 -1.607,468 9.076,469 0.534,470 0.435,471 0.026,472 25.75,473 1.515,474 14.5,475 0.853,476 11.25,477 0.662,478 10.802,479 0.635,480 16.124,481 0.672,482 14.625,483 0.86,484 4.89,485 0.288,486 3.348,487 0.197,488 0.218,490 0.331,496 0.751,497 0.932,498 0.449,499 0.469,500 0.565,501 0.579,502 0.588,503 1.231,504 0.556,505 0.693,506 0.555,507 0.858,508 0.998,509 1.165,510 0.669,511 0.786,512 0.91,513 0.934,514 1.239,515 0.875,516 0.467,517 0.513,518 1.238,519 0.832,520 1.183,521 0.904,522 0.739,523 0.9,524 1.356,525 0.876,526 1.324,527 0.921,528 1.77,529 1.573,530 1.46,531 1.37,532 1.039,533 0.679,534 1.349,535 1.07,536 1.042,537 1.098,538 0.373,539 0.89,540 5.349,541 4.3,542 0.27,543 2.304,544 3.5,546 2,547 1.063,548 1.461,549 0.313,550 0.246,551 0.077,552 0.031,554 2161,555 7973,556 2.127,557 29.2,559 5,562 2,567 1.576,568 2,569 2.692,570 0.526,574 1,576 1,577 44.334,578 1.847,579 3.284,580 3.768,581 4.252,582 4.335,583 4.502,584 1.971,585 3.499,586 4.065,587 2.721,588 370.017,589 6.903,590 3209.82,591 1,592 1,594 1,595 110.039,596 1.379,597 4.023,598 0.184,600 0.074,601 0.035,602 0.061,603 0.016,604 0.025,605 0.015,606 0.016,608 0.427,609 0.5,610 1,611 0.604,612 67.771,613 -0.062,614 0.078,615 -0.004,616 0.035,617 -0.071,618 0.055,619 0.141,620 -0.263,621 0.008,622 -0.089,623 0.047,624 -0.15,625 -0.071,626 -0.196,627 -0.024,628 -0.087,629 -0.063,630 -0.108,631 -0.049,632 0.092,633 0.02,634 0.094,635 -0.019,636 0.023,637 0.03,638 -0.013,639 0.072,640 -0.025,641 0.069,642 0.17,643 -0.302,644 0.01,645 -0.177,646 -0.096,647 -0.267,648 -0.175,649 -0.223,650 0.228,651 0.002,652 0.236,653 -0.222,654 0.142,655 0.108,656 0.146,657 -0.577,658 -0.321,659 0.086,660 -0.146,661 1.842,662 4.998,663 0.882,664 8.512,665 1.024,666 1.115,667 1.913,668 3.659,669 0.819,670 2.996,671 3.332,672 3.611,673 3.892,674 4.174,675 4.234,676 4.331,677 4.382,678 4.407,679 4.419,680 3.824,681 0.757,682 338.12,683 2.996,684 4.533,685 5.389,686 6.275,687 7.151,688 8.039,689 8.921,690 9.81,691 10.695,692 11.583,693 16.7,700 1,701 1,703 2,709 5,710 2,714 5,716 12,723 1,728 1,734 1,735 24,737 13,738 1,739 19,741 26,742 11,743 10,744 2,745 4,746 1,748 3,749 6,762 11,767 1,772 1,776 1,780 1,783 7,784 5,785 2,786 6,787 1,788 1,792 4,797 0.333,798 1,808 1,816 2,817 1,821 2,843 1,850 1,851 17,860 2,873 1,874 4.2,877 1,881 8.5,882 4.376,883 3.667,884 1.322,886 2.582,887 1.39,888 1.058,889 2.623,890 9.21,891 3.296,892 3.912,893 4.477,894 5.042,895 5.605,896 5.753,897 6.121,898 6.462,899 6.797,900 7.119,901 0.6,902 30,903 6.238,905 2.69,906 7.86,907 11.667,909 9.503,911 2.36,912 40.12,913 0.001,916 58.856,917 121.126,918 69.348,920 25.145,922 56.782,923 64.344,924 84,925 69.348,927 18.011,928 47.381,929 63.176,930 26.71,931 3.559,932 115.638,934 58.856,935 133.691,936 25.145,938 56.782,939 58.856,940 25.145,943 36.022,944 64.344,945 33.326,946 56.782,947 58.856,948 94.492,949 64.344,950 56.782,952 58.856,953 16.962,954 104.163,955 36.022,956 58.471,957 58.856,958 94.492,959 64.344,960 56.782,961 0.587,962 0.344,963 0.192,964 0.114,965 15,966 6,969 2,970 1.267,971 2.882,972 126.608,973 0.267,974 15,975 69.487,981 10.769,982 4.141,983 1.948,985 94.492,986 9.182,987 7.934,991 3.221,993 36.022,994 274.474,995 26,1000 11.998,1004 -0.176,1007 24.571,1008 26.754,1009 0.403,1010 0.716,1011 0.822,1012 0.927,1013 0.945,1014 0.982,1015 4.522,1016 0.288,1017 5.38,1018 2.564,1019 4.007,1020 4.595,1021 1.27,1022 6.196,1023 3.888,1024 5.738,1026 6.94,1027 0.71,1028 3.611,1029 4.388,1031 7.081,1032 3.39,1033 7.049,1034 -0.534,1035 8.6,1037 5.602,1038 6.782,1039 1.27,1040 10.19,1041 5.411,1042 8.393,1043 -0.789,1044 10.316,1045 -1.345,1046 5.994,1047 7.345,1049 11.888,1050 5.755,1051 9.764,1052 -1,1053 12.069,1054 -2.142,1055 7.473,1056 9.229,1057 1.34,1058 14.5,1059 7.234,1060 11.157,1061 -1,1062 13.847,1063 -2.458,1064 8.241,1065 10.168,1067 16.542,1068 7.976,1069 12.565,1070 -1.367,1071 15.644,1072 -2.691,1073 9.505,1074 11.819,1075 1.423,1076 18.971,1077 9.224,1078 3.106,1079 -1.638,1080 17.453,1081 -3.622,1082 10.458,1083 12.957,1085 21.165,1086 10.152,1087 2.707,1088 10.276,1089 19.274,1090 -4.671,1091 11.631,1092 14.487,1093 1.51,1094 23.522,1095 11.303,1096 2.205,1097 8.798,1098 21.102,1099 4.069,1100 12.672,1101 15.734,1103 25.784,1104 12.317,1105 2.062,1106 6.235,1107 22.936,1108 3.733,1109 13.81,1110 17.2,1111 1.599,1112 28.115,1113 13.429,1114 1.446,1115 5.824,1116 24.776,1117 2.906,1118 14.894,1119 18.508,1121 30.408,1122 14.483,1123 1.364,1124 3.723,1125 26.62,1126 2.596,1127 16.019,1128 19.939,1129 1.69,1130 32.731,1131 15.581,1132 1,1133 3.106,1134 28.468,1135 2.078,1136 17.124,1137 21.283,1139 35.038,1140 16.655,1141 2118,1142 4181,1143 12.83,1144 19.659,1145 28.767,1146 29.821,1147 29.325,1148 28.636,1149 28.357,1150 38.26,1151 2.917,1152 82.472,1153 26.256,1154 5.267,1155 5.625,1156 6.21,1157 5.124,1158 5.106,1159 7.069,1160 2.117,1161 17.04,1162 5.011,1163 6.532,1164 1.514,1165 1.57,1166 1.543,1167 1.507,1168 1.492,1169 2.014,1170 0.154,1171 4.341,1172 1.382,1173 4.002,1174 4.039,1175 10.695,1176 3.965,1177 7.429,1178 3.903,1179 3.76,1180 3.794,1181 3.95,1182 3.813,1183 5.02,1184 3.689,1185 3.27,1186 3.315,1187 3.673,1188 3.378,1189 4.739,1190 3.086,1191 3.06,1192 3.132,1193 3.196,1194 2.896,1195 4.028,1196 2.891,1197 2.798,1198 2.852,1199 2.902,1200 2.765,1201 3.932,1202 2.662,1203 2.654,1204 2.698,1205 2.685,1206 2.59,1207 3.752,1208 2.563,1209 2.443,1210 2.55,1211 2.45,1212 2.252,1213 3.472,1214 2.158,1215 1.973,1216 2.059,1217 2.341,1218 1.992,1219 3.264,1220 1.729,1221 0.234,1222 0.191,1223 0.343,1224 0.215,1225 0.163,1226 4.442,1227 0.214,1228 3.625,1229 0.056,1230 6.526,1231 0.541,1232 4.076,1233 0.158,1234 3.106,1235 4.069,1236 1.058,1237 10.276,1238 3.011,1239 1.888,1240 1.857,1241 1.993,1242 1.995,1243 1.08,1244 1.996,1245 1.782,1246 1.755,1247 1.795,1248 1.929,1249 0.907,1250 1.904,1251 1.13,1252 1.086,1253 1.273,1254 1.419,1255 0.278,1256 1.378,1257 1.013,1258 0.956,1259 1.186,1260 1.211,1261 0.25,1262 1.22,1263 0.805,1264 0.759,1265 0.976,1266 0.98,1267 0.052,1268 1.001,1269 0.527,1270 0.464,1271 0.71,1272 0.818,1274 0.798,1275 0.23,1276 0.166,1277 0.493,1278 0.535,1280 0.533,1281 0.014,1283 0.415,1284 0.42,1286 0.446,1287 3.664,1289 4.99,1291 6.515,1292 2.708,1293 8.128,1294 5.38,1295 9.785,1300 2.027,1305 5.934,1314 18.171,1315 44.334,1316 78.82,1317 90.429,1318 102.039,1319 104.039,1320 108.039,1321 20.743,1322 6.628,1323 74.43,1324 74.43,1325 19,1326 12.114,1327 3.807,1328 3,1329 23.525,1330 43,1331 33,1332 0.313,1333 122.372,1334 199.57,1335 290.349,1336 5765,1337 4.2,1338 11.828,1339 0.696,1340 0.631,1341 13.328,1342 10.725,1343 8.237,1344 0.434,1345 0.317,1346 4.936,1347 7.241,1348 4.801,1349 3.961,1350 9.103,1351 6.024,1352 7.595,1353 0.281,1354 0.173,1355 8.82,1356 4.659,1357 6.388,1358 0.177,1359 0.082,1360 7.174,1361 2.964,1362 5.423,1363 0.113,1364 0.043,1365 6.082,1366 2.071,1367 4.792,1368 0.075,1369 0.024,1370 5.751,1371 1.519,1372 0.456,1373 65.293,1374 0.279,1375 16.482,1376 0.969,1377 92,1378 297.34,1379 253.914,1380 332.395,1381 444.69,1382 308,1383 109,1384 305.915,1385 168.716,1386 323.22,1387 472.31,1388 304,1389 5.6}
{0 CHEMBL1977374,1 1.632,2 9.25,3 4.555,4 20.749,5 102.338,6 8.27,7 0.656,8 3.973,9 4.096,10 3.639,11 3.512,12 5.136,13 3.519,14 4.524,15 4.698,16 4.062,17 3.922,18 5.667,19 3.924,20 4.752,21 4.97,22 4.102,23 3.991,24 5.918,25 3.982,26 4.743,27 4.97,28 4.095,29 3.956,30 6.058,31 3.956,32 4.636,33 4.823,34 4.027,35 3.977,36 5.779,37 3.961,38 4.697,39 4.881,40 4.055,41 4.037,42 5.876,43 3.996,44 4.824,45 5.058,46 3.978,47 4.002,48 5.948,49 3.94,50 4.713,51 4.969,52 3.794,53 3.832,54 5.811,55 3.767,56 0.112,57 0.905,58 7.634,59 3.988,60 9.401,61 4.786,62 0.258,63 1.472,64 16.032,65 6.764,66 22.164,67 8.623,68 0.509,69 1.731,70 23.608,71 8.07,72 50.58,73 10.326,74 0.801,75 1.794,76 24.17,77 6.931,78 93.235,79 9.011,80 0.448,81 1.581,82 18.476,83 6.597,84 36.243,85 8.258,86 0.423,87 1.701,88 19.465,89 8.22,90 39.531,91 10.409,92 0.656,93 1.792,94 26.961,95 9.739,96 62.81,97 12.496,98 0.556,99 1.539,100 25.563,101 8.465,102 62.332,103 11.231,104 18,105 48,106 0.276,107 0.627,108 0.797,109 0.847,110 0.847,111 0.847,112 3.376,113 0.872,114 -6.72,115 -6.53,116 -6.05,119 43.5,120 2,121 2,122 1,125 1,142 5,143 1,144 2,146 2,152 1,161 3,166 2,172 6,174 3,175 9,183 4,187 3,188 14,196 1,199 2,200 11,208 3,212 1,213 7,221 9,224 2,225 6,233 10,237 2,238 7,246 5,250 8,258 5,264 4,272 8,276 1224,277 18.947,278 18.947,279 18.947,280 18.947,281 18.947,282 16.517,283 14.656,284 10.767,285 19.373,286 15.792,287 15.792,288 15.792,289 15.792,290 15.792,291 11.963,292 9.534,293 5.082,294 16.579,295 3.891,296 1.811,297 0.807,298 0.511,299 0.511,300 0.511,301 4.083,305 1,306 1,307 575,308 2.915,311 169.927,312 131.709,314 93.34,315 94.582,319 1.357,320 35.762,323 0.75,324 0.83,325 0.83,326 0.7,327 0.5,328 0.83,329 1,330 0.78,331 62,332 259,333 4.715,334 3.438,335 7.053,336 4.306,337 3.353,338 4.571,340 12.173,341 3.197,342 4.543,343 3.245,344 6.668,345 4.065,346 3.122,347 4.375,349 10.709,350 2.944,351 4.193,352 3.132,353 6.284,354 3.776,355 2.823,356 3.824,358 9.333,359 2.68,360 3.753,361 2.709,362 5.778,363 3.418,364 2.452,365 3.151,367 7.784,368 2.364,369 3.568,370 2.59,371 5.512,372 3.207,373 2.251,374 2.904,376 6.82,377 2.148,378 3.475,379 2.348,380 5.208,381 3.091,382 2.144,383 2.79,385 6.304,386 2.014,387 3.062,388 2.066,389 4.772,390 2.631,391 1.708,392 2.255,394 4.873,395 1.559,396 2.861,397 1.644,398 4.606,399 2.412,400 1.461,401 2.002,403 4.433,404 1.393,405 2.76,406 1.44,407 4.347,408 2.38,409 1.414,410 1.844,412 3.806,413 1.356,414 2.676,415 1.384,416 4.033,417 2.254,418 1.283,419 1.747,421 3.268,422 1.238,423 2.449,424 1.074,425 3.676,426 2.022,427 1.059,428 1.432,430 2.601,431 1.017,432 2.13,433 0.987,434 3.446,435 1.929,436 0.957,437 1.093,439 2.258,440 0.927,441 1.941,442 0.611,443 3.324,444 1.517,445 0.556,446 0.747,448 1.388,449 0.533,450 1.438,451 0.389,452 3.142,453 1.175,454 0.222,455 0.266,457 0.619,458 0.21,459 1.252,460 0.289,461 2.742,462 0.868,463 -0.047,464 -0.059,466 -0.116,467 -0.042,468 12.971,469 0.463,470 0.819,471 0.029,472 37,473 1.321,474 18,475 0.643,476 19,477 0.679,478 24.269,479 0.867,480 29.629,481 0.644,482 27.704,483 0.989,484 6.962,485 0.249,486 6.563,487 0.234,488 0.121,490 0.447,494 2,496 0.536,497 1.061,498 0.629,499 1.055,500 0.497,501 0.917,502 0.617,503 1.081,504 0.635,505 1.014,506 0.505,507 0.874,508 0.981,509 1.065,510 0.867,511 0.931,512 0.875,513 0.874,514 0.987,515 0.817,516 0.935,517 0.693,518 0.754,519 0.744,520 0.911,521 0.931,522 1.059,523 0.96,524 0.761,525 1.007,526 0.679,527 1.01,528 0.992,529 1.216,530 0.641,531 1.202,532 0.969,533 1.013,534 1.041,535 1.096,536 1.071,537 1.1,538 0.996,539 0.991,540 0.986,541 0.981,542 0.961,543 0.979,544 5.5,545 0.095,546 3.778,547 2.514,548 1.887,549 1.136,550 0.648,551 0.687,552 0.43,553 0.235,554 9067,555 26192,556 2.155,557 39.1,558 6,559 7,563 3,564 2,567 1.718,568 2,569 3.185,570 -0.707,577 75.077,578 1.632,579 3.712,580 4.717,581 5.012,582 5.012,583 5.012,584 2.66,585 4.423,586 4.78,587 3.323,588 1255.93,589 8.353,590 15753.7,592 1,595 254.084,596 1.449,597 4.733,598 0.172,599 0.009,600 0.079,601 0.052,602 0.04,603 0.025,604 0.014,605 0.017,606 0.013,607 0.011,608 0.432,609 0.33,610 0.75,611 0.744,612 136.75,613 0.044,614 -0.08,615 0.069,616 -0.063,617 -0.009,618 -0.015,619 0.052,620 -0.159,621 0.18,622 -0.045,623 0.066,624 0.062,625 -0.07,626 -0.107,627 0.072,628 0.013,629 -0.028,630 0.067,631 0.011,632 0.164,633 0.023,634 0.198,635 0.14,636 0.148,637 -0.135,638 0.023,639 -0.225,640 -0.044,641 -0.109,642 -0.123,643 0.06,644 -0.064,645 -0.153,646 -0.236,647 0.035,648 -0.256,649 0.017,650 -0.034,651 -0.05,652 -0.096,653 -0.064,654 -0.099,655 -0.04,656 -0.076,657 0.047,658 0.003,659 -0.003,660 0.042,661 2.3,662 6.533,663 0.821,664 22.102,665 1.018,666 1.143,667 5.487,668 30.102,669 0.679,670 3.497,671 3.892,672 4.248,673 4.605,674 4.836,675 5.05,676 5.242,677 5.429,678 5.572,679 5.656,680 5.634,681 0.665,682 380.44,683 3.497,684 5.081,685 5.979,686 6.903,687 7.82,688 8.75,689 9.674,690 10.607,691 11.536,692 12.471,693 13,701 2,703 4,708 1,709 5,710 4,714 8,715 1,716 21,734 2,735 46,737 21,738 1,739 32,741 50,742 20,743 14,744 3,745 3,748 5,749 7,754 2,757 2,760 2,762 14,763 6,764 1,780 1,781 2,783 18,784 6,786 8,789 1,792 6,797 0.6,808 1,815 3,816 2,818 1,819 1,843 3,847 2,849 2,851 28,858 3,863 1,871 1,873 2,881 14,882 9.236,883 5.917,884 3.049,886 4.127,887 1.505,888 1.041,889 3.938,890 12.305,891 3.773,892 4.477,893 5.172,894 5.855,895 6.397,896 6.868,897 7.365,898 7.878,899 8.285,900 8.672,901 1,902 48,903 10.426,905 4.692,906 7.887,907 19.667,909 16.841,911 2.387,912 66.833,915 1,916 211.88,917 108.275,918 69.838,921 29.92,923 108.275,924 211.88,925 99.758,926 17.65,927 7.175,928 47.381,929 73.146,930 30.004,931 32.677,932 211.88,934 211.88,935 178.113,936 29.92,939 218.258,940 23.542,943 39.773,944 71.566,945 66.775,947 241.8,948 69.838,949 108.275,952 211.88,953 43.244,954 68.095,956 96.695,957 211.88,958 99.758,959 108.275,961 0.599,962 0.361,963 0.206,964 0.109,965 27,966 12,967 0.06,968 3,969 2,970 1.174,971 3.838,972 271.031,973 0.174,974 23,975 132.606,981 17.304,982 6.373,983 2.725,984 0.656,985 96.695,986 7.266,987 17.803,991 2.561,992 2.075,994 419.913,995 42.5,1007 46.821,1008 52.576,1009 0.295,1010 0.672,1011 0.854,1012 0.907,1013 0.907,1014 0.907,1015 5.045,1016 1.461,1017 5.999,1018 4.873,1019 4.575,1020 5.165,1022 6.895,1023 4.477,1024 6.295,1025 1.414,1026 7.609,1027 4.433,1028 4.29,1029 5.13,1031 7.945,1032 4.118,1033 7.64,1034 1.283,1035 9.319,1036 3.806,1037 6.248,1038 7.485,1040 11.103,1041 6.052,1042 9.026,1043 1.059,1044 11.088,1045 3.268,1046 6.792,1047 8.293,1049 12.999,1050 6.521,1051 10.445,1052 0.957,1053 12.894,1054 2.601,1055 8.239,1056 10.126,1058 15.683,1059 7.942,1060 11.889,1061 0.556,1062 14.726,1063 2.258,1064 9.143,1065 11.31,1067 17.919,1068 8.777,1069 13.35,1070 0.222,1071 16.579,1072 1.388,1073 10.409,1074 12.94,1076 20.454,1077 10.007,1078 3.353,1079 -0.047,1080 18.446,1081 0.619,1082 11.47,1083 14.296,1085 22.828,1086 11.006,1087 3.122,1088 12.173,1089 20.325,1090 -0.116,1091 12.673,1092 15.844,1094 25.317,1095 12.168,1096 2.823,1097 10.709,1098 22.213,1099 4.571,1100 13.802,1101 17.278,1103 27.751,1104 13.241,1105 2.452,1106 9.333,1107 24.109,1108 4.375,1109 14.987,1110 18.795,1112 30.229,1113 14.382,1114 2.251,1115 7.784,1116 26.011,1117 3.824,1118 16.147,1119 20.265,1121 32.689,1122 15.489,1123 2.144,1124 6.82,1125 27.919,1126 3.151,1127 17.329,1128 21.771,1130 35.168,1131 16.625,1132 1.708,1133 6.304,1134 29.831,1135 2.904,1136 18.504,1137 23.257,1139 37.641,1140 17.75,1141 8484,1142 14609,1143 21.501,1144 31.239,1145 49.94,1146 50.382,1147 51.698,1148 49.766,1149 49.612,1150 66,1152 152.738,1153 47.162,1154 5.56,1155 5.438,1156 6.541,1157 5.366,1158 5.353,1159 7.571,1161 19.698,1162 5.197,1163 13.68,1164 1.561,1165 1.574,1166 1.616,1167 1.555,1168 1.55,1169 2.062,1171 4.773,1172 1.474,1173 4.159,1174 4.213,1175 4.137,1176 4.002,1177 8.211,1178 4.027,1179 4.003,1180 4.059,1181 3.976,1182 3.829,1183 8.191,1184 3.857,1185 3.843,1186 3.878,1187 3.795,1188 3.716,1189 5.21,1190 3.729,1191 3.576,1192 3.642,1193 3.434,1194 3.459,1195 4.894,1196 3.444,1197 3.33,1198 3.392,1199 3.214,1200 3.187,1201 4.468,1202 3.188,1203 3.108,1204 3.178,1205 3.025,1206 2.908,1207 4.418,1208 2.929,1209 2.903,1210 3.009,1211 2.85,1212 2.733,1213 4.15,1214 2.735,1215 2.874,1216 2.959,1217 2.735,1218 2.637,1219 3.894,1220 2.655,1221 0.147,1222 0.107,1223 0.22,1224 0.135,1225 0.105,1226 4.715,1227 0.143,1228 3.438,1230 7.053,1231 0.38,1232 4.306,1233 0.1,1234 3.353,1235 4.571,1237 12.173,1238 3.197,1239 1.925,1240 1.898,1241 1.995,1242 2.079,1243 1.195,1244 2.049,1245 1.841,1246 1.802,1247 1.949,1248 1.974,1249 1.164,1250 1.964,1251 1.655,1252 1.596,1253 1.862,1254 1.83,1255 1.08,1256 1.847,1257 1.563,1258 1.497,1259 1.821,1260 1.745,1261 0.966,1262 1.773,1263 1.457,1264 1.394,1265 1.591,1266 1.685,1267 0.82,1268 1.662,1269 1.216,1270 1.175,1271 1.417,1272 1.384,1273 0.469,1274 1.354,1275 0.989,1276 0.895,1277 1.289,1278 1.321,1279 0.441,1280 1.308,1281 0.934,1282 0.805,1283 1.131,1284 1.239,1285 0.193,1286 1.277,1287 4.174,1289 5.549,1290 3.434,1291 7.109,1292 5.82,1293 8.76,1294 7.941,1295 10.464,1297 4.057,1299 27.946,1303 2.592,1308 0.155,1314 30.583,1315 75.077,1316 170.759,1317 216.964,1318 230.574,1319 230.574,1320 230.574,1321 50.8,1322 8.178,1323 60.9,1324 60.9,1325 27,1326 12.971,1327 4.459,1328 3.524,1329 37.346,1330 91,1331 102,1332 0.197,1333 182.466,1334 303.54,1335 436.977,1336 40356,1337 4.3,1338 19.413,1339 0.693,1340 0.554,1341 17.673,1342 15.525,1343 13.525,1344 0.423,1345 0.291,1346 9.147,1347 12.873,1348 8.945,1349 7.378,1350 12.72,1351 9.302,1352 12.873,1353 0.268,1354 0.152,1355 11.712,1356 7.306,1357 11.239,1358 0.163,1359 0.073,1360 10.447,1361 5.061,1362 10.156,1363 0.103,1364 0.038,1365 9.44,1366 3.747,1367 7.896,1368 0.063,1369 0.019,1370 7.527,1371 2.431,1372 0.298,1373 85.681,1374 0.216,1375 25.919,1376 0.581,1377 160,1378 558.093,1379 180.872,1380 491.582,1381 678.33,1382 460,1383 197,1384 523.337,1385 219.916,1386 511.229,1387 761.53,1388 484,1389 5.1}
{0 CHEMBL1977604,1 1.927,2 8.346,3 2.204,4 4.86,5 95.444,6 8.871,7 0.207,8 3.908,9 4.009,10 3.642,11 3.455,12 5.12,13 3.447,14 4.482,15 4.63,16 4.105,17 3.906,18 5.742,19 3.887,20 4.783,21 4.969,22 4.265,23 4.077,24 6.039,25 4.042,26 4.858,27 5.033,28 4.428,29 4.087,30 6.4,31 4.078,32 4.81,33 4.958,34 4.311,35 3.978,36 6.415,37 4.006,38 4.779,39 4.965,40 3.981,41 3.803,42 6.259,43 3.793,44 4.627,45 4.828,46 3.877,47 3.653,48 6.266,49 3.612,50 4.42,51 4.638,52 3.373,53 3.561,54 5.53,55 3.397,56 0.202,57 0.806,58 7.068,59 4.217,60 32.72,61 4.379,62 0.478,63 1.367,64 17.825,65 7.443,66 72.101,67 8.293,68 0.81,69 1.774,70 25.229,71 9.894,72 91.931,73 11.168,74 1.147,75 2.023,76 33.024,77 11.733,78 182.322,79 12.405,80 1.192,81 2.042,82 25.939,83 10.653,84 211.742,85 9.559,86 1.269,87 1.664,88 27.634,89 9.034,90 198.977,91 8.639,92 1.355,93 1.314,94 25.809,95 8.161,96 234.601,97 8.286,98 0.726,99 0.992,100 23.76,101 8.076,102 113.069,103 8.739,104 51,105 45,106 0.338,107 0.699,108 0.859,109 0.892,110 0.892,111 0.892,112 3.307,113 0.958,114 -3.02,115 -3.02,116 -2.91,119 39.5,120 1,121 1,125 3,127 2,136 1,139 1,142 1,143 1,144 4,157 1,158 1,163 1,164 1,165 1,167 1,170 1,172 1,173 1,175 8,178 1,180 2,183 2,185 1,188 3,189 2,190 1,191 1,196 2,197 2,199 4,200 4,203 2,205 2,208 3,209 1,213 1,218 1,221 3,222 1,224 1,225 6,230 2,233 1,235 1,239 1,240 1,241 1,243 1,248 1,249 1,250 1,253 1,258 3,266 1,267 1,269 3,273 1,274 3,276 854,277 16.983,278 16.983,279 16.983,280 16.983,281 16.983,282 15.717,283 22.324,284 9.404,285 17.436,286 14.237,287 14.237,288 14.237,289 14.237,290 14.237,291 12.105,292 29.257,293 4.386,294 15.059,295 3.5,296 1.444,297 0.529,298 0.343,299 0.343,300 0.343,301 3.99,304 1,305 1,306 1,307 469,308 3,311 100.399,312 99.484,315 78.816,316 85.035,319 1.346,320 59.253,323 1,324 1,325 1,326 1,327 0.5,328 1,329 1,330 0.93,331 59.5,332 217,333 4.778,334 4.557,335 7.278,336 4.436,337 3.478,338 4.428,339 3.151,340 12.96,341 3.343,342 4.392,343 3.743,344 6.772,345 4.031,346 3.088,347 3.897,348 1.437,349 10.999,350 2.915,351 3.877,352 3.559,353 6.352,354 3.67,355 2.698,356 3.164,357 0.8,358 9.38,359 2.588,360 3.815,361 3.307,362 6.145,363 3.562,364 2.607,365 3,366 0.765,367 8.78,368 2.48,369 3.46,370 3.014,371 5.365,372 3.251,373 2.279,374 2.532,376 6.695,377 2.206,378 3.315,379 2.766,380 5.229,381 2.931,382 1.996,383 2.492,385 5.911,386 1.845,387 3.019,388 2.697,389 4.772,390 2.615,391 1.655,392 2.057,394 4.701,395 1.567,396 2.804,397 2.49,398 4.643,399 2.551,400 1.617,401 1.789,403 4.468,404 1.485,405 2.509,406 2.091,407 4.407,408 2.256,409 1.306,410 1.486,412 3.632,413 1.222,414 2.071,415 1.831,416 3.947,417 1.799,418 0.962,419 1.033,421 2.543,422 0.78,423 1.73,424 1.207,425 3.391,426 1.69,427 0.72,428 0.724,430 1.722,431 0.695,432 1.607,433 0.957,434 3.269,435 1.131,436 0.154,437 0.201,439 0.39,440 0.144,441 1.225,442 0.902,443 3.122,444 0.937,445 0.027,446 0.03,448 0.08,449 0.024,450 1.133,451 0.599,452 2.954,453 0.771,454 -0.152,455 -0.181,457 -0.409,458 -0.136,459 0.537,460 0.401,461 2.433,462 0.27,463 -0.646,464 -0.701,466 -1.645,467 -0.565,468 12.105,469 0.466,470 0.951,471 0.037,472 29,473 1.115,474 11.5,475 0.442,476 17.5,477 0.673,478 26.945,479 1.036,480 29.295,481 0.681,482 23.749,483 0.913,484 5.26,485 0.202,486 7.047,487 0.271,488 0.204,490 0.52,494 2,496 0.673,497 1.02,498 0.673,499 0.903,500 0.606,501 0.853,502 0.598,503 1.045,504 0.812,505 1.012,506 0.466,507 0.86,508 0.74,509 0.864,510 0.808,511 0.884,512 0.727,513 0.879,514 0.737,515 1.069,516 0.798,517 1.075,518 0.801,519 0.819,520 1.464,521 1.603,522 1.002,523 1.205,524 1.496,525 1.119,526 1.653,527 1.235,528 1.236,529 1.01,530 1.609,531 1.152,532 1.187,533 0.966,534 1.025,535 0.83,536 1.146,537 0.994,538 0.993,539 0.934,540 1.524,541 1.283,542 1.035,543 1.378,544 5.5,545 0.073,546 3.556,547 3.285,548 2.812,549 1.838,550 0.868,551 0.386,552 0.282,553 0.1,554 6429,555 22223,556 2.032,557 39.5,559 9,562 3,564 3,565 2,567 1.7,568 1.814,569 2.992,570 1.05,571 1,572 1,577 82.846,578 1.927,579 3.982,580 4.897,581 5.083,582 5.083,583 5.083,584 2.517,585 4.393,586 4.672,587 3.138,588 1019.86,589 8.148,590 11742,592 1,594 1,595 233.329,596 1.498,597 4.585,598 0.19,599 0.015,600 0.079,601 0.066,602 0.051,603 0.038,604 0.026,605 0.014,606 0.017,607 0.009,608 0.503,609 0.5,610 1,611 0.871,612 121.899,613 -0.091,614 -0.043,615 0.023,616 0.085,617 -0.055,618 0.073,619 0.018,620 -0.102,621 0.064,622 0.016,623 0.097,624 0.107,625 0.022,626 0.103,627 0.08,628 0.075,629 -0.012,630 0.085,631 0.234,632 -0.029,633 0.262,634 0.001,635 0.169,636 0.179,637 -0.086,638 -0.181,639 -0.095,640 -0.213,641 -0.097,642 -0.212,643 -0.304,644 -0.026,645 -0.313,646 -0.109,647 -0.252,648 -0.262,649 0.064,650 0.106,651 -0.051,652 0.083,653 0.12,654 -0.063,655 -0.12,656 0.018,657 -0.38,658 -0.174,659 -0.145,660 -0.326,661 3.058,662 7.411,663 0.692,664 18.846,665 1.034,666 1.141,667 1.789,668 3.199,669 0.674,670 3.401,671 3.829,672 4.205,673 4.595,674 4.844,675 5.069,676 5.263,677 5.342,678 5.489,679 5.476,680 4.986,681 0.66,682 381.44,683 3.401,684 5.004,685 5.916,686 6.864,687 7.798,688 8.75,689 9.693,690 10.647,691 11.593,692 12.548,693 7,694 1,699 2,709 1,714 5,716 6,721 1,730 2,734 2,735 43,737 9,738 1,739 29,741 46,742 17,743 6,744 5,745 1,746 4,748 4,749 7,754 1,757 3,760 3,762 10,763 7,767 3,772 2,776 4,779 1,780 1,781 2,783 17,784 8,785 3,786 9,787 1,792 3,797 0.5,798 3,812 1,815 2,816 2,819 1,820 1,831 1,835 1,836 1,841 1,843 2,844 1,845 1,847 1,849 2,851 26,852 1,857 1,858 4,862 1,863 2,864 2,873 2,874 7,876 1,877 2,881 14.333,882 7.969,883 5.5,884 2.608,886 1.833,887 1.237,888 0.978,889 4.253,890 9.558,891 3.584,892 4.197,893 4.802,894 5.403,895 5.916,896 6.335,897 6.73,898 7.009,899 7.35,900 7.444,901 0.833,902 50,903 9.929,905 4.781,906 8.327,907 17.908,909 15.764,911 2.827,912 73.5,916 164.795,917 95.459,918 39.146,920 92.973,921 29.92,922 32.22,923 63.239,924 257.769,925 69.066,926 8.825,927 40.543,928 9.476,929 99.017,930 37.497,931 29.92,932 197.015,934 164.795,935 102.385,936 122.893,937 32.22,939 135.86,940 151.829,943 49.368,944 53.017,946 32.22,947 194.716,948 132.119,949 95.459,952 164.795,953 77.157,954 24.55,956 155.791,957 164.795,958 162.039,959 95.459,961 0.609,962 0.377,963 0.224,964 0.121,965 25,966 13,967 0.043,968 2,969 2,970 1.222,971 3.45,972 247.934,973 0.222,974 18,975 122.211,977 1,981 17.774,982 6.221,983 2.583,985 162.039,986 0.954,991 -2.2,993 75.581,994 422.293,995 35,1000 24.229,1004 -2.459,1007 44.458,1008 49.044,1009 0.355,1010 0.734,1011 0.902,1012 0.937,1013 0.937,1014 0.937,1015 4.916,1016 1.617,1017 5.969,1018 4.701,1019 4.511,1020 4.883,1021 3.289,1022 6.917,1023 4.405,1024 6.153,1025 1.306,1026 7.618,1027 4.468,1028 4.369,1029 4.945,1030 0.57,1031 8.072,1032 4.227,1033 7.507,1034 0.962,1035 9.366,1036 3.632,1037 6.236,1038 7.074,1039 5.334,1040 11.265,1041 6.046,1042 8.895,1043 0.72,1044 11.17,1045 2.543,1046 6.878,1047 7.925,1048 0.863,1049 13.232,1050 6.646,1051 10.316,1052 0.154,1053 13.01,1054 1.722,1055 8.286,1056 9.621,1057 7.587,1058 15.973,1059 8.013,1060 11.761,1061 0.027,1062 14.874,1063 0.39,1064 9.259,1065 10.809,1066 2.542,1067 18.271,1068 8.943,1069 13.225,1070 -0.152,1071 16.758,1072 0.08,1073 10.521,1074 12.359,1075 9.874,1076 20.869,1077 10.166,1078 3.478,1079 -0.646,1080 18.656,1081 -0.409,1082 11.635,1083 13.698,1084 4.984,1085 23.307,1086 11.237,1087 3.088,1088 12.96,1089 20.565,1090 -1.645,1091 12.856,1092 15.196,1093 12.168,1094 25.861,1095 12.42,1096 2.698,1097 10.999,1098 22.484,1099 4.428,1100 14.03,1101 16.604,1102 7.471,1103 28.36,1104 13.554,1105 2.607,1106 9.38,1107 24.41,1108 3.897,1109 15.246,1110 18.085,1111 14.462,1112 30.905,1113 14.731,1114 2.279,1115 8.78,1116 26.343,1117 3.164,1118 16.448,1119 19.526,1120 9.933,1121 33.432,1122 15.895,1123 1.996,1124 6.695,1125 28.281,1126 3,1127 17.667,1128 21.002,1129 16.757,1130 35.978,1131 17.076,1132 1.655,1133 5.911,1134 30.223,1135 2.532,1136 18.884,1137 22.461,1138 12.371,1139 38.519,1140 18.254,1141 6290,1142 11834,1143 18.441,1144 28.995,1145 45.825,1146 50.659,1147 48.695,1148 45.251,1149 45.176,1150 53.665,1151 12.305,1152 144.523,1153 42.59,1154 5.703,1155 6.557,1156 6.548,1157 5.554,1158 5.478,1159 7.428,1160 6.3,1161 20.96,1162 5.343,1163 16.398,1164 1.58,1165 1.747,1166 1.679,1167 1.56,1168 1.558,1169 1.851,1170 0.424,1171 4.984,1172 1.469,1173 4.076,1174 4.1,1175 4.145,1176 3.984,1177 8.21,1178 3.99,1179 3.839,1180 3.894,1181 3.867,1182 3.704,1183 8.191,1184 3.695,1185 3.644,1186 3.684,1187 3.638,1188 3.557,1189 7.48,1190 3.533,1191 3.497,1192 3.508,1193 3.456,1194 3.322,1195 7.422,1196 3.339,1197 3.107,1198 3.154,1199 3.086,1200 2.865,1201 6.351,1202 2.884,1203 2.988,1204 3.054,1205 3.052,1206 2.782,1207 5.007,1208 2.773,1209 2.963,1210 3.035,1211 2.917,1212 2.732,1213 4.545,1214 2.713,1215 2.897,1216 2.957,1217 2.762,1218 2.712,1219 4.247,1220 2.696,1221 0.165,1222 0.157,1223 0.251,1224 0.153,1225 0.12,1226 4.778,1227 0.153,1228 4.557,1229 0.109,1230 7.278,1231 0.447,1232 4.436,1233 0.115,1234 3.478,1235 4.428,1236 3.151,1237 12.96,1238 3.343,1239 1.953,1240 1.939,1241 1.987,1242 2.068,1243 1.224,1244 2.043,1245 1.598,1246 1.551,1247 1.848,1248 1.805,1249 1.178,1250 1.823,1251 1.575,1252 1.528,1253 1.809,1254 1.772,1255 1.095,1256 1.784,1257 1.555,1258 1.51,1259 1.66,1260 1.71,1261 0.937,1262 1.71,1263 1.321,1264 1.26,1265 1.456,1266 1.543,1267 0.666,1268 1.527,1269 0.95,1270 0.918,1271 1.286,1272 1.209,1273 0.454,1274 1.239,1275 0.851,1276 0.837,1277 1.093,1278 1.153,1279 0.093,1280 1.134,1281 0.83,1282 0.78,1283 0.982,1284 1.113,1285 0.075,1286 1.099,1287 4.078,1289 5.476,1290 3.045,1291 7.069,1292 5.352,1293 8.766,1294 7.402,1295 10.528,1297 1.813,1299 30.109,1301 5.854,1302 9.434,1303 1.891,1307 1.199,1308 -0.383,1309 3.059,1314 28.377,1315 82.846,1316 171.224,1317 210.574,1318 218.574,1319 218.574,1320 218.574,1321 82.672,1322 7.724,1323 88.56,1324 113.86,1325 22,1326 13.036,1327 3.322,1328 2.807,1329 37.64,1330 78,1331 86,1332 0.25,1333 172.601,1334 316.5,1335 412.907,1336 20499,1337 4.7,1338 18.748,1339 0.721,1340 0.568,1341 17.361,1342 14.777,1343 12.307,1344 0.424,1345 0.319,1346 8.206,1347 11.231,1348 7.975,1349 6.482,1350 11.923,1351 9.262,1352 12.045,1353 0.268,1354 0.173,1355 11.58,1356 7.765,1357 10.387,1358 0.157,1359 0.095,1360 10.295,1361 6.294,1362 9.757,1363 0.1,1364 0.052,1365 9.657,1366 5.049,1367 7.505,1368 0.06,1369 0.026,1370 7.423,1371 3.327,1372 0.369,1373 83.214,1374 0.233,1375 23.935,1376 0.768,1377 148,1378 577.306,1379 191.554,1380 517.444,1381 678.25,1382 478,1383 185,1384 467.351,1385 228.518,1386 468.721,1387 708.46,1388 441,1389 5.1}
{0 CHEMBL1977681,1 1.89,2 7.684,3 2.71,4 7.344,5 73.567,6 9.494,7 0.714,8 3.516,9 3.616,10 3.338,11 3.156,12 4.772,13 3.129,14 3.979,15 4.109,16 3.754,17 3.539,18 5.251,19 3.496,20 4.111,21 4.258,22 3.787,23 3.518,24 5.445,25 3.484,26 4.09,27 4.245,28 3.588,29 3.407,30 5.475,31 3.376,32 4.015,33 4.185,34 3.527,35 3.364,36 5.407,37 3.301,38 3.891,39 4.088,40 3.371,41 3.186,42 5.128,43 3.094,44 3.572,45 3.767,46 2.858,47 2.824,48 4.781,49 2.734,50 3.384,51 3.568,52 2.671,53 2.482,54 5.089,55 2.46,56 0.102,57 0.522,58 3.765,59 2.527,60 6.901,61 2.498,62 0.208,63 0.825,64 8.195,65 4.258,66 16.541,67 4.342,68 0.263,69 0.934,70 12.747,71 5.408,72 28.161,73 5.381,74 0.407,75 0.925,76 12.297,77 4.983,78 51.297,79 4.25,80 0.355,81 0.893,82 12.97,83 5.103,84 37.776,85 4.898,86 0.282,87 0.737,88 11.902,89 4.638,90 28.285,91 4.707,92 0.186,93 0.471,94 8.807,95 3.144,96 20.559,97 3.016,98 0.32,99 0.4,100 6.345,101 2.229,102 44.721,103 2.173,104 12,105 30,106 0.356,107 0.721,108 0.797,109 0.872,110 0.885,111 0.885,112 3.012,113 0.924,114 -3.52,115 -3.49,116 -3.34,119 44.8,124 1,142 5,143 2,144 1,152 2,158 1,161 1,168 1,172 5,175 2,178 1,180 2,183 7,188 4,193 5,196 4,200 2,205 3,208 4,212 1,213 2,216 1,218 1,221 4,225 2,228 1,229 1,230 1,233 3,238 1,243 1,246 1,250 2,255 2,264 1,269 1,276 390,277 12.939,278 12.939,279 12.939,280 12.939,281 12.939,282 11.106,283 5.985,284 7.486,285 13.281,286 10.281,287 10.281,288 10.281,289 10.281,290 10.281,291 7.428,292 3.854,293 3.449,294 10.82,295 2.968,296 1.034,297 0.633,298 0.233,299 0.164,300 0.164,301 3.686,305 1,306 1,307 311,308 2.646,311 75.848,312 54.561,314 62.446,319 1.28,320 23.756,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 42,332 146,333 4.671,334 3.568,335 6.817,336 4.199,337 3.241,338 4.622,339 1.058,340 11.281,341 3.109,342 4.199,343 3.27,344 6.191,345 3.773,346 2.822,347 3.824,349 9.126,350 2.671,351 3.864,352 2.894,353 5.823,354 3.445,355 2.473,356 3.282,358 7.77,359 2.386,360 3.247,361 2.113,362 5.003,363 2.749,364 1.826,365 2.539,367 5.416,368 1.673,369 2.893,370 1.684,371 4.279,372 2.381,373 1.414,374 2.043,376 3.779,377 1.353,378 2.862,379 1.56,380 4.061,381 2.375,382 1.414,383 2.016,385 3.256,386 1.346,387 2.674,388 1.26,389 3.788,390 2.143,391 1.206,392 1.735,394 2.959,395 1.11,396 2.426,397 1.093,398 3.578,399 1.912,400 0.962,401 1.37,403 2.455,404 0.904,405 1.71,406 1.001,407 3.08,408 1.185,409 0.262,410 0.371,412 0.68,413 0.234,414 1.467,415 0.423,416 2.49,417 1.141,418 0.16,419 0.193,421 0.213,422 0.155,423 1.055,424 0.086,425 2.417,426 0.608,427 -0.286,428 -0.368,430 -0.662,431 -0.247,432 0.627,433 -0.493,434 2,435 0.151,436 -0.825,437 -1.154,439 -2.035,440 -0.796,441 0.364,442 -0.777,443 2,444 -0.103,445 -1.102,446 -1.504,448 -2.785,449 -1.043,450 0.145,451 -1.142,452 1.667,453 -0.356,454 -1.322,455 -1.748,457 -3.451,458 -1.189,459 -0.019,460 -1.166,461 1.616,462 -0.499,463 -1.414,464 -1.86,466 -3.46,467 -1.279,468 9.152,469 0.482,470 0.469,471 0.025,472 25.5,473 1.342,474 13.5,475 0.711,476 12,477 0.632,478 12.764,479 0.672,480 19.648,481 0.678,482 16.639,483 0.876,484 5.197,485 0.274,486 4.006,487 0.211,488 0.122,490 0.382,494 1,496 0.605,497 0.818,498 0.657,499 0.735,500 0.525,501 0.725,502 0.655,503 0.916,504 0.73,505 0.82,506 0.588,507 0.758,508 0.951,509 1.251,510 0.87,511 1.181,512 0.981,513 0.966,514 1.47,515 1.12,516 1.198,517 1.01,518 1.537,519 1.005,520 1.038,521 1.105,522 1.267,523 1.171,524 1.012,525 1.071,526 0.817,527 1.031,528 1.026,529 1.128,530 0.849,531 1.093,532 1.042,533 0.938,534 1.373,535 1.201,536 0.918,537 1.187,538 0.992,539 0.866,540 1.083,541 1.03,542 0.975,543 1.168,544 3.5,545 0.012,546 2.667,547 1.417,548 1.037,549 0.615,550 0.389,551 0.2,552 0.078,553 0.041,554 3027,555 10678,556 2.081,557 34.5,559 8,562 2,567 1.606,568 1.932,569 2.956,570 0.445,572 1,574 1,577 54.802,578 1.89,579 3.824,580 4.225,581 4.625,582 4.694,583 4.694,584 2.439,585 4.037,586 4.218,587 3.043,588 520.308,589 7.198,590 4959.53,591 1,592 1,593 1,594 1,595 140.881,596 1.462,597 4.171,598 0.167,599 0.012,600 0.089,601 0.049,602 0.041,603 0.027,604 0.023,605 0.018,606 0.009,607 0.008,608 0.443,609 0.67,610 1,611 1.091,612 80.999,613 -0.033,614 0.104,615 0.03,616 0.119,617 -0.053,618 0.081,619 0.011,620 0.007,621 0.123,622 0.12,623 0.005,624 0.122,625 -0.023,626 -0.272,627 0.126,628 -0.164,629 -0.021,630 -0.016,631 -0.242,632 -0.035,633 -0.251,634 -0.052,635 -0.237,636 -0.13,637 0.023,638 0.021,639 -0.194,640 -0.123,641 0.006,642 -0.13,643 0.072,644 -0.078,645 0.059,646 -0.097,647 -0.01,648 -0.08,649 -0.202,650 -0.114,651 -0.288,652 -0.19,653 -0.093,654 -0.201,655 0.34,656 0.106,657 -0.199,658 -0.176,659 0.461,660 -0.268,661 1.985,662 5.789,663 0.737,664 12.925,665 1.026,666 1.125,667 2.289,668 5.241,669 0.728,670 3.091,671 3.434,672 3.761,673 4.043,674 4.22,675 4.357,676 4.466,677 4.443,678 4.431,679 4.317,680 4.594,681 0.705,682 275.33,683 3.091,684 4.635,685 5.509,686 6.405,687 7.303,688 8.209,689 9.115,690 10.026,691 10.936,692 11.849,693 10.3,700 1,701 1,703 1,708 2,709 5,710 1,711 1,713 1,714 4,716 15,723 1,734 1,735 29,737 16,738 1,739 21,741 31,742 13,743 11,744 2,745 4,746 1,748 3,749 4,762 12,763 1,767 1,772 1,776 1,780 1,781 1,783 10,784 4,785 2,786 6,787 1,792 3,797 0.667,798 1,807 1,815 2,816 1,818 1,843 2,845 1,847 1,849 1,851 19,860 1,869 1,873 1,874 3.4,877 1,881 9.833,882 5.593,883 4.222,884 1.615,886 3.043,887 1.456,888 1.037,889 3.07,890 9.719,891 3.418,892 4.086,893 4.771,894 5.429,895 5.936,896 6.383,897 6.825,898 7.092,899 7.426,900 7.66,901 1,902 29,903 7.017,905 3.066,906 8.053,907 12.977,909 10.641,911 2.553,912 48.5,916 94.169,917 111.072,918 51.337,920 25.145,921 14.96,922 31.278,923 79.794,924 119.314,925 66.297,926 8.396,927 18.011,928 47.381,929 46.83,930 31.543,931 19.075,932 125.447,934 94.169,935 131.131,936 40.105,937 31.278,939 109.129,940 25.145,943 34.991,944 79.477,945 16.663,946 31.278,947 109.129,948 76.482,949 111.072,952 94.169,953 55.294,954 55.778,955 34.674,956 56.768,957 94.169,958 91.442,959 111.072,961 0.583,962 0.359,963 0.191,964 0.1,965 16,966 7,967 0.065,968 2,969 1,970 1.143,971 3.101,972 144.566,973 0.143,974 14,975 80.711,977 1,981 12.302,982 4.741,983 2.04,984 1.45,985 74.779,986 8.199,987 4.12,988 2.824,990 1.274,991 1.29,993 34.674,994 296.682,995 29.5,1000 11.583,1004 -0.164,1007 29.756,1008 32.625,1009 0.389,1010 0.787,1011 0.87,1012 0.952,1013 0.966,1014 0.966,1015 4.642,1016 0.962,1017 5.509,1018 2.959,1019 4.111,1020 4.771,1021 1.176,1022 6.368,1023 4.011,1024 5.882,1025 0.262,1026 7.101,1027 2.455,1028 3.761,1029 4.677,1031 7.368,1032 3.613,1033 7.215,1034 0.16,1035 8.795,1036 0.68,1037 5.746,1038 7.087,1039 1.255,1040 10.5,1041 5.563,1042 8.592,1043 -0.286,1044 10.548,1045 0.213,1046 6.256,1047 7.88,1049 12.34,1050 6.018,1051 10.004,1052 -0.825,1053 12.339,1054 -0.662,1055 7.706,1056 9.736,1057 1.338,1058 14.986,1059 7.44,1060 11.44,1061 -1.102,1062 14.156,1063 -2.035,1064 8.582,1065 10.925,1067 17.154,1068 8.262,1069 12.896,1070 -1.322,1071 15.99,1072 -2.785,1073 9.839,1074 12.572,1075 1.422,1076 19.643,1077 9.488,1078 3.241,1079 -1.414,1080 17.839,1081 -3.451,1082 10.872,1083 13.942,1085 21.948,1086 10.471,1087 2.822,1088 11.281,1089 19.697,1090 -3.46,1091 12.06,1092 15.508,1093 1.51,1094 24.385,1095 11.624,1096 2.473,1097 9.126,1098 21.563,1099 4.622,1100 13.162,1101 16.959,1103 26.751,1104 12.679,1105 1.826,1106 7.77,1107 23.436,1108 3.824,1109 14.327,1110 18.496,1111 1.599,1112 29.171,1113 13.807,1114 1.414,1115 5.416,1116 25.314,1117 3.282,1118 15.461,1119 19.986,1121 31.565,1122 14.897,1123 1.414,1124 3.779,1125 27.197,1126 2.539,1127 16.621,1128 21.513,1129 1.69,1130 33.982,1131 16.018,1132 1.206,1133 3.256,1134 29.084,1135 2.043,1136 17.771,1137 23.022,1139 36.389,1140 17.126,1141 3022,1142 5772,1143 13.929,1144 21.102,1145 31.931,1146 33.246,1147 33.812,1148 31.654,1149 31.562,1150 43.99,1151 2.117,1152 93.87,1153 29.88,1154 5.385,1155 5.568,1156 6.501,1157 5.349,1158 5.241,1159 7.622,1160 2.117,1161 18.66,1162 5.109,1163 9.03,1164 1.521,1165 1.583,1166 1.61,1167 1.507,1168 1.503,1169 2.095,1170 0.101,1171 4.47,1172 1.423,1173 4.13,1174 4.153,1175 4.357,1176 4.092,1177 8.201,1178 4.06,1179 3.832,1180 3.855,1181 3.853,1182 3.785,1183 7.429,1184 3.766,1185 3.534,1186 3.603,1187 3.475,1188 3.274,1189 5.059,1190 3.308,1191 3.165,1192 3.245,1193 3.217,1194 2.985,1195 4.607,1196 2.957,1197 2.902,1198 2.959,1199 2.832,1200 2.733,1201 4.244,1202 2.735,1203 2.819,1204 2.866,1205 2.768,1206 2.669,1207 4.063,1208 2.67,1209 2.734,1210 2.797,1211 2.604,1212 2.413,1213 3.665,1214 2.443,1215 2.373,1216 2.403,1217 2.565,1218 2.372,1219 3.452,1220 2.272,1221 0.222,1222 0.17,1223 0.325,1224 0.2,1225 0.154,1226 4.671,1227 0.22,1228 3.568,1229 0.05,1230 6.817,1231 0.537,1232 4.199,1233 0.148,1234 3.241,1235 4.622,1236 1.058,1237 11.281,1238 3.109,1239 1.916,1240 1.894,1241 2.004,1242 2.004,1243 1.118,1244 2.004,1245 1.609,1246 1.588,1247 1.735,1248 1.791,1249 0.822,1250 1.78,1251 1.471,1252 1.469,1253 1.616,1254 1.619,1255 0.713,1256 1.61,1257 1.282,1258 1.202,1259 1.323,1260 1.549,1261 0.55,1262 1.527,1263 1.119,1264 1.04,1265 1.214,1266 1.298,1267 0.289,1268 1.338,1269 0.861,1270 0.805,1271 1.119,1272 1.068,1273 0.152,1274 1.08,1275 0.67,1276 0.61,1277 0.896,1278 0.912,1280 0.913,1281 0.491,1282 0.45,1283 0.712,1284 0.772,1286 0.799,1287 3.761,1289 5.094,1290 3.045,1291 6.621,1292 5.416,1293 8.239,1294 7.526,1295 9.908,1297 1.573,1299 13.789,1305 2.562,1314 20.457,1315 54.802,1316 110.907,1317 122.517,1318 134.127,1319 136.127,1320 136.127,1321 32.214,1322 6.676,1323 57.78,1324 86.02,1325 16,1326 12.363,1327 4.087,1328 3.248,1329 27.72,1330 52,1331 54,1332 0.277,1333 129.507,1334 211.57,1335 307.757,1336 5844,1337 3.4,1338 13.405,1339 0.706,1340 0.571,1341 12.889,1342 10.845,1343 9.203,1344 0.438,1345 0.308,1346 5.63,1347 8.378,1348 5.432,1349 4.507,1350 9.2,1351 6.47,1352 8.208,1353 0.274,1354 0.167,1355 8.322,1356 5.018,1357 7.383,1358 0.176,1359 0.092,1360 7.751,1361 3.873,1362 5.989,1363 0.107,1364 0.051,1365 6.503,1366 2.857,1367 4.58,1368 0.068,1369 0.027,1370 5.094,1371 1.808,1372 0.415,1373 62.208,1374 0.268,1375 18.625,1376 0.815,1377 102,1378 377.018,1379 139.054,1380 361.064,1381 485.28,1382 336,1383 123,1384 337.572,1385 158.559,1386 351.754,1387 519.58,1388 331,1389 5.2}
{0 CHEMBL1977713,1 1.714,2 9.667,3 2.838,4 8.054,5 82.146,6 8.846,7 0.696,8 3.653,9 3.773,10 3.36,11 3.233,12 4.847,13 3.225,14 4.114,15 4.258,16 3.712,17 3.608,18 5.332,19 3.571,20 4.329,21 4.515,22 3.668,23 3.664,24 5.439,25 3.59,26 4.333,27 4.56,28 3.497,29 3.499,30 5.452,31 3.422,32 4.185,33 4.431,34 3.352,35 3.285,36 5.346,37 3.236,38 4.022,39 4.214,40 3.347,41 3.164,42 5.414,43 3.137,44 3.878,45 4.086,46 3.058,47 3.151,48 4.974,49 3.064,50 3.786,51 3.998,52 3.195,53 3.153,54 4.93,55 3.065,56 0.086,57 0.527,58 5.137,59 2.598,60 6.612,61 3.102,62 0.209,63 0.796,64 9.349,65 4.389,66 16.716,67 5.474,68 0.237,69 0.897,70 16.41,71 5.991,72 28.852,73 7.402,74 0.33,75 0.886,76 18.234,77 5.797,78 34.527,79 7.328,80 0.266,81 0.741,82 15.192,83 4.84,84 30.018,85 6.2,86 0.412,87 0.598,88 14.325,89 4.06,90 45.756,91 4.693,92 0.233,93 0.531,94 11.418,95 3.809,96 31.271,97 4.537,98 0.221,99 0.5,100 10.437,101 3.65,102 24.843,103 4.82,104 5,105 31,106 0.312,107 0.656,108 0.789,109 0.873,110 0.873,111 0.873,112 3.102,113 0.889,114 -3.82,115 -3.78,116 -3.59,119 44.1,125 1,142 7,143 2,144 2,145 1,152 1,159 1,168 1,172 6,175 1,178 2,179 1,180 5,183 9,188 1,193 4,196 5,200 5,203 1,204 1,205 7,208 1,213 3,218 3,224 1,225 3,228 2,229 1,230 4,233 2,246 5,250 2,255 2,258 7,264 2,269 2,272 4,276 556,277 14.292,278 14.292,279 14.292,280 14.292,281 14.292,282 12.205,283 13.55,284 8.565,285 14.585,286 11.364,287 11.364,288 11.364,289 11.364,290 11.364,291 8.269,292 17.952,293 4.089,294 11.871,295 3.374,296 1.483,297 0.754,298 0.294,299 0.294,300 0.294,301 3.785,302 1,304 1,305 1,306 1,307 442,308 2.915,311 45.84,312 130.224,315 87.132,319 1.524,320 17.173,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 45.333,332 203,333 4.515,334 3.558,335 6.52,336 4.035,337 3.056,338 4.459,339 1.659,340 10.251,341 2.99,342 4.016,343 3.041,344 5.435,345 3.6,346 2.632,347 3.616,348 0.564,349 7.207,350 2.547,351 3.716,352 2.961,353 5.318,354 3.343,355 2.382,356 3.015,357 0.133,358 6.729,359 2.278,360 3.427,361 2.589,362 4.921,363 3,364 2.09,365 2.726,367 5.736,368 1.873,369 3.304,370 2.132,371 4.79,372 2.843,373 1.869,374 2.553,376 5.268,377 1.744,378 3.048,379 1.548,380 4.095,381 2.535,382 1.548,383 2.321,385 3.653,386 1.528,387 2.5,388 1.255,389 3.417,390 2,391 1,392 1.5,394 2.275,395 1,396 2.5,397 1,398 3.414,399 1.97,400 1,401 1.5,403 2.235,404 0.968,405 2.1,406 1,407 3.298,408 1.704,409 0.768,410 0.958,412 1.875,413 0.71,414 1.856,415 0.861,416 3.039,417 1.516,418 0.549,419 0.702,421 1.294,422 0.519,423 1.216,424 0.522,425 2.564,426 0.817,427 -0.111,428 -0.136,430 -0.262,431 -0.089,432 1.095,433 0.235,434 2.29,435 0.643,436 -0.281,437 -0.369,439 -0.629,440 -0.24,441 0.581,442 -0.265,443 2,444 0.112,445 -0.901,446 -1.121,448 -2.248,449 -0.783,450 0.5,451 -0.624,452 1.932,454 -1,455 -1.355,457 -2.434,458 -0.924,459 0.5,460 -1,461 1.699,462 -0.017,463 -1,464 -1.5,466 -2.585,467 -0.982,468 10.148,469 0.483,470 0.452,471 0.022,472 29.5,473 1.405,474 16,475 0.762,476 13.5,477 0.643,478 12.959,479 0.617,480 21.652,481 0.637,482 19.26,483 0.917,484 6.104,485 0.291,486 4.116,487 0.196,488 0.103,490 0.296,496 0.733,497 1.067,498 0.583,499 0.785,500 0.577,501 0.759,502 0.598,503 1.104,504 0.702,505 0.932,506 0.542,507 0.957,508 1.056,509 1.229,510 1.056,511 1.154,512 1.017,513 1.14,514 1.14,515 1.098,516 1.006,517 1.079,518 1.154,519 1.087,520 1.232,521 1.022,522 0.669,523 0.842,524 1.282,525 0.838,526 1.54,527 0.806,528 1.122,529 0.981,530 2.185,531 0.961,532 1.454,533 0.788,534 1.062,535 0.855,536 1.772,537 0.974,538 0.372,539 0.754,540 0.706,541 0.915,542 0.314,543 0.913,544 4,545 0.069,546 2.222,547 0.813,548 0.956,549 0.406,550 0.292,551 0.218,552 0.092,553 0.082,554 4862,555 15778,556 2.102,557 38.2,559 9,561 1,562 3,567 1.626,568 2,569 3.235,570 1.109,572 1,574 1,577 58.265,578 1.714,579 3.605,580 4.333,581 4.793,582 4.793,583 4.793,584 2.701,585 3.975,586 4.368,587 3.415,588 717.047,589 7.45,590 7859.87,591 1,592 1,593 1,594 1,595 172.974,596 1.268,597 4.338,598 0.174,599 0.006,600 0.072,601 0.029,602 0.042,603 0.02,604 0.015,605 0.015,606 0.006,607 0.005,608 0.384,609 0.5,610 1,611 0.532,612 96.458,613 -0.052,614 0.094,615 0.001,616 0.076,617 -0.066,618 0.061,619 0.144,620 -0.005,621 -0.021,622 -0.04,623 0.082,624 -0.091,625 -0.159,626 -0.249,627 -0.15,628 -0.195,629 -0.127,630 -0.189,631 -0.106,632 -0.122,633 -0.106,634 -0.145,635 -0.1,636 -0.126,637 -0.125,638 -0.067,639 0.127,640 0.081,641 0.017,642 0.14,643 0.075,644 0.151,645 -0.104,646 -0.04,647 -0.039,648 -0.055,649 -0.323,650 0.149,651 -0.162,652 0.119,653 -0.343,655 0.32,656 0.191,657 0.191,658 0.085,659 0.29,660 0.116,661 1.932,662 4.939,663 0.714,664 15.025,665 1.014,666 1.124,667 2.59,668 6.711,669 0.71,670 3.178,671 3.466,672 3.689,673 3.912,674 4.06,675 3.989,676 3.97,677 4.06,678 3.871,679 3.912,680 5.848,681 0.684,682 300.77,683 3.178,684 4.691,685 5.517,686 6.372,687 7.215,688 8.071,689 8.921,690 9.779,691 10.632,692 11.492,693 11.8,700 2,701 1,703 1,708 2,709 8,710 1,711 1,714 3,716 16,734 1,735 34,737 17,738 2,739 23,741 36,742 15,743 13,744 5,745 7,748 3,749 4,750 1,753 1,762 14,763 1,767 1,772 1,776 1,779 1,780 1,783 13,784 4,785 3,786 6,787 1,792 4,797 0.667,798 1,807 1,815 1,816 2,819 1,843 2,848 1,851 21,858 1,860 2,873 1,874 2.9,877 1,881 10.5,882 5.926,883 4.639,884 1.847,886 2.95,887 1.445,888 1.02,889 4.084,890 9.586,891 3.497,892 4.107,893 4.676,894 5.257,895 5.716,896 5.86,897 6.091,898 6.433,899 6.095,900 6.285,901 1,902 28,903 7.693,905 3.23,906 7.839,907 14.467,909 11.591,911 2.339,912 49.111,916 117.711,917 95.923,918 69.348,919 39.149,920 25.145,923 95.923,924 182.005,925 69.348,927 38.127,928 66.334,929 53.579,930 37.726,931 6.42,932 105.94,933 39.149,934 117.711,935 165.27,936 25.145,937 39.149,939 117.711,940 25.145,943 63.838,944 84.77,945 55.812,947 117.711,948 94.492,949 135.071,952 117.711,953 20.542,954 75.381,955 52.685,956 80.957,957 117.711,958 94.492,959 135.071,961 0.575,962 0.327,963 0.173,964 0.094,965 15,966 6,967 0.083,968 3,969 1,970 1.133,971 3.477,972 153.566,973 0.133,974 15,975 88.239,981 13.922,982 6.16,983 3.349,984 1.754,985 77.829,986 14.614,987 3.962,988 2.862,991 2.376,993 52.685,994 347.275,995 32,1000 11.939,1004 -0.265,1007 34.476,1008 38.223,1009 0.337,1010 0.709,1011 0.852,1012 0.942,1013 0.942,1014 0.942,1015 4.691,1016 1,1017 5.476,1018 2.275,1019 4.143,1020 4.792,1021 1.848,1022 6.225,1023 4.064,1024 5.894,1025 0.768,1026 6.993,1027 2.235,1028 3.611,1029 4.543,1030 1.195,1031 7.002,1032 3.467,1033 7.189,1034 0.549,1035 8.607,1036 1.875,1037 5.673,1038 7.019,1039 2.443,1040 10.072,1041 5.532,1042 8.522,1043 -0.111,1044 10.281,1045 1.294,1046 5.969,1047 7.642,1048 2.324,1049 11.734,1050 5.783,1051 9.885,1052 -0.281,1053 11.995,1054 -0.262,1055 7.474,1056 9.558,1057 3.261,1058 14.313,1059 7.286,1060 11.273,1061 -0.901,1062 13.739,1063 -0.629,1064 8.169,1065 10.614,1066 3.415,1067 16.357,1068 7.952,1069 12.679,1070 -1,1071 15.507,1072 -2.248,1073 9.437,1074 12.291,1075 4.173,1076 18.773,1077 9.213,1078 3.056,1079 -1,1080 17.292,1081 -2.434,1082 10.336,1083 13.568,1084 4.478,1085 20.982,1086 10.089,1087 2.632,1088 10.251,1089 19.093,1090 -2.585,1091 11.503,1092 15.138,1093 5.131,1094 23.342,1095 11.244,1096 2.382,1097 7.207,1098 20.907,1099 4.459,1100 12.505,1101 16.526,1102 5.522,1103 25.619,1104 12.226,1105 2.09,1106 6.729,1107 22.731,1108 3.616,1109 13.63,1110 18.049,1111 6.114,1112 27.959,1113 13.336,1114 1.869,1115 5.736,1116 24.564,1117 3.015,1118 14.685,1119 19.491,1120 6.554,1121 30.265,1122 14.371,1123 1.548,1124 5.268,1125 26.405,1126 2.726,1127 15.796,1128 20.994,1129 7.11,1130 32.597,1131 15.464,1132 1,1133 3.653,1134 28.251,1135 2.553,1136 16.877,1137 22.462,1138 7.577,1139 34.915,1140 16.526,1141 4659,1142 8490,1143 15.603,1144 24.142,1145 34.138,1146 34.966,1147 34.576,1148 33.963,1149 33.789,1150 46.7,1151 4.711,1152 93.043,1153 32.312,1154 5.411,1155 5.558,1156 6.081,1157 5.086,1158 5.056,1159 7.459,1160 2.921,1161 17.081,1162 4.99,1163 8.044,1164 1.484,1165 1.52,1166 1.503,1167 1.477,1168 1.469,1169 2.03,1170 0.205,1171 4.045,1172 1.405,1173 4.1,1174 4.143,1175 4.067,1176 3.988,1177 7.431,1178 4.001,1179 3.919,1180 3.947,1181 3.992,1182 3.863,1183 5.093,1184 3.854,1185 3.541,1186 3.6,1187 3.545,1188 3.261,1189 4.94,1190 3.304,1191 3.335,1192 3.406,1193 3.334,1194 3.153,1195 4.434,1196 3.164,1197 3.113,1198 3.172,1199 3.206,1200 2.957,1201 4.358,1202 2.961,1203 2.855,1204 2.925,1205 2.855,1206 2.735,1207 4.024,1208 2.715,1209 2.854,1210 2.894,1211 2.687,1212 2.692,1213 3.804,1214 2.706,1215 2.531,1216 2.609,1217 2.611,1218 2.31,1219 3.674,1220 2.297,1221 0.196,1222 0.155,1223 0.283,1224 0.175,1225 0.133,1226 4.515,1227 0.194,1228 3.558,1229 0.072,1230 6.52,1231 0.446,1232 4.035,1233 0.13,1234 3.056,1235 4.459,1236 1.659,1237 10.251,1238 2.99,1239 1.937,1240 1.912,1241 2.021,1242 2.038,1243 1.159,1244 2.034,1245 1.902,1246 1.878,1247 2.001,1248 1.98,1249 1.144,1250 1.994,1251 1.398,1252 1.338,1253 1.561,1254 1.706,1255 0.674,1256 1.662,1257 1.292,1258 1.215,1259 1.453,1260 1.601,1261 0.418,1262 1.565,1263 1.033,1264 0.985,1265 1.227,1266 1.258,1267 0.3,1268 1.254,1269 0.981,1270 0.924,1271 1.181,1272 1.186,1273 0.218,1274 1.208,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.099,1280 1.107,1281 0.634,1282 0.567,1283 0.878,1284 0.871,1286 0.883,1287 3.85,1289 5.142,1290 2.398,1291 6.619,1292 4.595,1293 8.183,1294 6.605,1295 9.794,1298 5.818,1303 0.435,1305 5.617,1314 23.262,1315 58.265,1316 122.567,1317 147.322,1318 162.974,1319 162.974,1320 162.974,1321 27.902,1322 6.636,1323 69.81,1324 69.81,1325 17,1326 12.044,1327 4.17,1328 3.322,1329 32.427,1330 74,1331 73,1332 0.212,1333 148.562,1334 245.16,1335 354.252,1336 6541,1337 2.9,1338 14.656,1339 0.698,1340 0.563,1341 15.156,1342 11.815,1343 10.22,1344 0.444,1345 0.296,1346 6.383,1347 9.573,1348 6.236,1349 5.173,1350 10.509,1351 6.814,1352 9.09,1353 0.293,1354 0.162,1355 9.498,1356 5.007,1357 7.381,1358 0.189,1359 0.086,1360 7.67,1361 3.351,1362 5.966,1363 0.122,1364 0.044,1365 6.133,1366 2.154,1367 4.709,1368 0.083,1369 0.025,1370 4.945,1371 1.441,1372 0.338,1373 66.891,1374 0.253,1375 21.183,1376 0.565,1377 108,1378 330.583,1379 132.783,1380 354.975,1381 472.89,1382 330,1383 124,1384 324.542,1385 142.664,1386 339.414,1387 488.9,1388 319,1389 5.1}
{0 CHEMBL1977814,1 1.677,2 7.091,3 3.919,4 15.361,5 86.555,6 7.995,7 0.458,8 3.797,9 3.912,10 3.43,11 3.325,12 4.89,13 3.302,14 4.347,15 4.529,16 3.848,17 3.712,18 5.385,19 3.69,20 4.551,21 4.725,22 3.979,23 3.831,24 5.681,25 3.81,26 4.682,27 4.887,28 3.995,29 3.816,30 5.84,31 3.802,32 4.522,33 4.677,34 3.913,35 3.806,36 5.768,37 3.771,38 4.624,39 4.833,40 3.753,41 3.884,42 5.611,43 3.763,44 4.609,45 4.854,46 3.612,47 3.82,48 5.523,49 3.642,50 4.564,51 4.854,52 2.999,53 3.581,54 5.419,55 3.293,56 0.097,57 0.584,58 7.695,59 3.645,60 5.85,61 4.73,62 0.199,63 0.926,64 16.513,65 6.003,66 16.94,67 7.998,68 0.32,69 1.086,70 21.93,71 6.953,72 25.181,73 9.094,74 0.624,75 1.118,76 26.712,77 7.606,78 46.332,79 9.946,80 0.58,81 1.023,82 20.967,83 6.503,84 55.273,85 8.113,86 0.396,87 1.119,88 23.901,89 8.558,90 40.756,91 11.437,92 0.32,93 1.053,94 25.1,95 8.775,96 34.941,97 12.374,98 0.326,99 0.869,100 30.11,101 9.088,102 43.527,103 12.759,104 40,105 36,106 0.299,107 0.628,108 0.8,109 0.821,110 0.821,111 0.821,112 3.149,113 0.948,114 -4.24,115 -4.17,116 -3.94,119 40,120 3,122 1,124 1,125 1,142 3,143 2,144 2,146 1,153 1,157 1,166 2,172 4,174 1,175 9,183 7,187 2,188 10,196 5,199 4,200 10,208 2,212 1,213 9,221 6,225 5,233 9,238 5,246 7,250 2,258 3,272 2,276 574,277 14.276,278 14.276,279 14.276,280 14.276,281 14.276,282 12.792,283 16.228,284 8.111,285 14.587,286 11.806,287 11.806,288 11.806,289 11.806,290 11.806,291 9.462,292 20.445,293 3.837,294 12.375,295 3.645,296 1.803,297 0.844,298 0.725,299 0.725,300 0.725,301 3.819,302 1,304 1,305 1,306 1,307 326,308 3.082,311 35.026,312 84.699,315 64.496,316 72.415,319 0.934,320 23.414,321 1,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 47.833,332 156,333 4.743,334 4.399,335 7.197,336 4.405,337 3.431,338 4.432,339 2.413,340 12.652,341 3.349,342 4.205,343 3.621,344 6.361,345 3.769,346 2.803,347 3.873,348 0.206,349 9.59,350 2.705,351 3.727,352 3.008,353 6.118,354 3.485,355 2.512,356 2.961,358 8.602,359 2.433,360 3.556,361 2.859,362 5.103,363 3.168,364 2.204,365 2.891,367 6.011,368 2.141,369 3.206,370 2.405,371 4.949,372 3.073,373 2.157,374 2.238,376 5.241,377 1.893,378 3.063,379 2.145,380 4.811,381 2.675,382 1.707,383 2.226,385 5.003,386 1.645,387 2.933,388 2.081,389 4.64,390 2.57,391 1.618,392 2.049,394 4.836,395 1.5,396 2.498,397 1.546,398 3.967,399 2.086,400 1.108,401 1.468,403 2.876,404 1.074,405 2.154,406 1.306,407 3.746,408 1.749,409 0.757,410 0.972,412 1.932,413 0.738,414 1.422,415 0.838,416 2.896,417 1.125,418 0.191,419 0.229,421 0.466,422 0.169,423 1.044,424 0.473,425 2.835,426 0.703,427 -0.196,428 -0.232,430 -0.506,431 -0.153,432 0.697,433 0.23,434 2.384,435 0.395,436 -0.57,437 -0.658,439 -1.322,440 -0.516,441 0.644,442 -0.24,443 2.343,444 0.314,445 -0.618,446 -0.695,448 -1.656,449 -0.547,450 0.561,451 -0.392,452 2,453 0.21,454 -0.793,455 -1,457 -2,458 -0.785,459 0.054,460 -0.697,461 2,463 -1,464 -1.093,466 -2.228,467 -0.965,468 10.581,469 0.481,470 0.775,471 0.035,472 26.25,473 1.193,474 12,475 0.545,476 14.25,477 0.648,478 20.436,479 0.929,480 24.219,481 0.605,482 18.793,483 0.854,484 4.97,485 0.226,486 5.427,487 0.247,488 0.288,490 0.454,496 0.555,497 1.301,498 0.608,499 1.048,500 0.581,501 0.973,502 0.905,503 1.119,504 0.569,505 0.78,506 0.588,507 0.702,508 1.188,509 1.219,510 0.918,511 1.036,512 0.955,513 0.935,514 1.444,515 0.904,516 0.767,517 0.717,518 1.131,519 0.698,520 1.463,521 1.007,522 0.975,523 0.936,524 1.406,525 1.007,526 0.901,527 1.111,528 0.913,529 1.081,530 1.044,531 1.167,532 0.543,533 1.085,534 0.931,535 1.171,536 0.688,537 1.248,538 0.707,539 1.031,540 1.365,541 1.339,542 0.864,543 1.365,544 5,546 2.889,547 2.507,548 2.125,549 1.08,550 0.753,551 0.48,552 0.09,554 3903,555 11165,556 1.991,557 45,558 6,559 8,563 3,564 1,567 1.657,568 1.784,569 2.81,570 -0.717,572 1,577 67.064,578 1.677,579 3.519,580 4.478,581 4.596,582 4.596,583 4.596,584 2.204,585 4.005,586 4.428,587 2.942,588 679.518,589 7.669,590 7178.48,592 1,593 1,594 1,595 212.877,596 1.539,597 4.344,598 0.208,600 0.08,601 0.064,602 0.054,603 0.032,604 0.027,605 0.023,606 0.011,608 0.5,609 0.5,610 1,611 1.322,612 97.28,613 0.155,614 -0.074,615 0.045,616 -0.061,617 -0.047,618 -0.03,619 -0.014,620 -0.013,621 0.199,622 0.171,623 0.065,624 0.242,625 -0.065,626 -0.111,627 -0.021,628 -0.103,629 -0.032,630 -0.029,631 -0.012,632 0.101,633 0.109,634 0.178,635 0.094,636 0.193,637 -0.101,638 0.098,639 -0.137,640 -0.012,641 0.026,642 -0.13,643 -0.072,644 -0.097,645 -0.105,646 -0.109,647 -0.131,648 -0.192,649 0.05,650 -0.114,651 -0.046,652 -0.179,653 -0.014,654 -0.23,655 -0.03,656 -0.205,657 -0.213,658 -0.31,659 -0.062,660 -0.304,661 1.734,662 5.784,663 0.591,664 14.917,665 1.009,666 1.129,667 3.005,668 9.03,669 0.672,670 3.219,671 3.611,672 3.932,673 4.304,674 4.595,675 4.745,676 4.898,677 4.97,678 4.956,679 4.682,680 4.513,681 0.638,682 319.82,683 3.219,684 4.796,685 5.68,686 6.611,687 7.528,688 8.467,689 9.398,690 10.34,691 11.278,692 12.221,693 7.5,701 2,703 1,709 3,710 1,714 6,715 1,716 11,721 1,734 1,735 40,737 12,738 1,739 24,741 42,742 16,743 9,744 3,745 3,746 1,748 3,749 6,750 1,754 3,762 10,763 6,764 1,767 1,772 1,776 1,780 1,783 18,784 4,786 6,787 1,792 3,797 0.333,798 2,807 1,815 1,816 2,819 1,820 1,843 1,847 4,848 1,851 22,858 1,861 1,863 1,864 1,873 1,874 5,877 1,878 1,881 12.333,882 8.66,883 4.722,884 2.474,886 2.272,887 1.32,888 0.957,889 3.912,890 9.368,891 3.45,892 4.09,893 4.706,894 5.34,895 5.836,896 6.156,897 6.553,898 6.905,899 7.207,900 7.278,901 0.8,902 39,903 8.143,905 3.482,906 7.778,907 15.452,909 12.658,911 2.278,912 50.111,915 1,916 211.88,917 90.74,918 24.178,919 39.149,920 36.364,923 90.74,924 287.392,925 24.178,926 34.872,927 4.592,928 28.429,929 58.16,930 25.228,932 211.88,933 39.149,934 211.88,935 114.918,936 36.364,937 39.149,939 200.109,940 36.916,941 11.219,943 43.668,944 54.587,945 55.812,947 211.88,948 60.542,949 129.888,952 211.88,953 27.439,954 70.816,956 92.175,957 211.88,958 60.542,959 129.888,961 0.598,962 0.348,963 0.202,964 0.124,965 19,966 10,967 0.071,968 3,969 2,970 1.308,971 3.163,972 185.658,973 0.308,974 13,975 92.107,981 15.379,982 5.596,983 2.54,985 58.765,986 5.245,987 4.367,991 3.691,992 1.681,994 402.31,995 30.5,1000 12.784,1004 -0.067,1007 40.353,1008 45.179,1009 0.315,1010 0.661,1011 0.841,1012 0.864,1013 0.864,1014 0.864,1015 4.734,1016 1.108,1017 5.72,1018 4.836,1019 4.29,1020 4.775,1021 2.48,1022 6.632,1023 4.209,1024 5.977,1025 0.757,1026 7.345,1027 2.876,1028 4.111,1029 4.783,1030 1.404,1031 7.738,1032 3.989,1033 7.318,1034 0.191,1035 9.071,1036 1.932,1037 5.974,1038 7.008,1039 4.08,1040 10.919,1041 5.832,1042 8.696,1043 -0.196,1044 10.855,1045 0.466,1046 6.567,1047 7.811,1048 3.368,1049 12.864,1050 6.403,1051 10.107,1052 -0.57,1053 12.678,1054 -0.506,1055 7.984,1056 9.573,1057 5.76,1058 15.603,1059 7.799,1060 11.543,1061 -0.618,1062 14.529,1063 -1.322,1064 8.929,1065 10.739,1066 5.359,1067 17.895,1068 8.727,1069 13.001,1070 -0.793,1071 16.401,1072 -1.656,1073 10.198,1074 12.324,1075 7.459,1076 20.49,1077 9.974,1078 3.431,1079 -1,1080 18.29,1081 -2,1082 11.3,1083 13.657,1084 7.293,1085 22.925,1086 11.058,1087 2.803,1088 12.652,1089 20.193,1090 -2.228,1091 12.525,1092 15.172,1093 9.166,1094 25.474,1095 12.262,1096 2.512,1097 9.59,1098 22.106,1099 4.432,1100 13.696,1101 16.581,1102 9.182,1103 27.967,1104 13.413,1105 2.204,1106 8.602,1107 24.029,1108 3.873,1109 14.913,1110 18.07,1111 10.88,1112 30.504,1113 14.608,1114 2.157,1115 6.011,1116 25.958,1117 2.961,1118 16.114,1119 19.514,1120 11.04,1121 33.021,1122 15.788,1123 1.707,1124 5.241,1125 27.894,1126 2.891,1127 17.333,1128 20.994,1129 12.599,1130 35.556,1131 16.984,1132 1.618,1133 5.003,1134 29.834,1135 2.238,1136 18.549,1137 22.456,1138 12.877,1139 38.084,1140 18.177,1141 3986,1142 6895,1143 15.145,1144 26.875,1145 37.594,1146 40.285,1147 39.782,1148 37.126,1149 36.976,1150 46.682,1151 5.237,1152 114.419,1153 35.294,1154 5.629,1155 6.399,1156 6.503,1157 5.457,1158 5.431,1159 7.432,1160 4.631,1161 20.652,1162 5.349,1163 13.8,1164 1.566,1165 1.679,1166 1.658,1167 1.547,1168 1.541,1169 1.945,1170 0.218,1171 4.767,1172 1.471,1173 4.089,1174 4.123,1175 4.104,1176 3.969,1177 7.427,1178 3.985,1179 3.785,1180 3.825,1181 3.87,1182 3.667,1183 4.983,1184 3.678,1185 3.688,1186 3.75,1187 3.532,1188 3.541,1189 4.86,1190 3.526,1191 3.255,1192 3.335,1193 3.374,1194 3.028,1195 4.571,1196 3.043,1197 3.179,1198 3.225,1199 3.131,1200 2.994,1201 4.229,1202 2.991,1203 3.068,1204 3.117,1205 2.916,1206 2.832,1207 4.036,1208 2.836,1209 2.874,1210 3.009,1211 2.832,1212 2.618,1213 3.885,1214 2.611,1215 2.831,1216 2.907,1217 2.518,1218 2.618,1219 3.619,1220 2.57,1221 0.198,1222 0.183,1223 0.3,1224 0.184,1225 0.143,1226 4.743,1227 0.185,1228 4.399,1229 0.101,1230 7.197,1231 0.527,1232 4.405,1233 0.14,1234 3.431,1235 4.432,1236 2.413,1237 12.652,1238 3.349,1239 1.946,1240 1.931,1241 2.001,1242 2.05,1243 1.214,1244 2.035,1245 1.692,1246 1.631,1247 1.954,1248 1.872,1249 1.152,1250 1.903,1251 1.557,1252 1.529,1253 1.741,1254 1.795,1255 0.851,1256 1.774,1257 1.489,1258 1.4,1259 1.699,1260 1.675,1261 0.768,1262 1.692,1263 1.085,1264 1.023,1265 1.417,1266 1.347,1267 0.47,1268 1.357,1269 0.979,1270 0.924,1271 1.353,1272 1.282,1273 0.469,1274 1.308,1275 0.934,1276 0.804,1277 1.291,1278 1.239,1279 0.413,1280 1.275,1281 0.833,1282 0.754,1283 1.107,1284 1.049,1285 0.203,1286 1.081,1287 3.892,1289 5.263,1290 2.398,1291 6.83,1292 4.844,1293 8.505,1294 7.034,1295 10.247,1297 7.791,1298 6.057,1303 0.542,1306 5.957,1308 0.367,1309 1.697,1314 25.536,1315 67.064,1316 140.764,1317 179.103,1318 183.858,1319 183.858,1320 183.858,1321 40.053,1322 7.097,1323 49.05,1324 49.05,1325 17,1326 12.716,1327 3.7,1328 2.907,1329 34.012,1330 59,1331 62,1332 0.301,1333 161.212,1334 276.43,1335 385.116,1336 9439,1337 2.5,1338 16.016,1339 0.728,1340 0.628,1341 16.516,1342 13.809,1343 10.397,1344 0.433,1345 0.316,1346 7.127,1347 9.647,1348 6.765,1349 5.694,1350 10.685,1351 7.585,1352 10.085,1353 0.28,1354 0.176,1355 10.493,1356 6.319,1357 8.124,1358 0.162,1359 0.076,1360 8.386,1361 3.805,1362 7.323,1363 0.1,1364 0.038,1365 7.543,1366 2.787,1367 6.197,1368 0.063,1369 0.02,1370 6.488,1371 1.992,1372 0.44,1373 68.647,1374 0.257,1375 20.738,1376 0.938,1377 120,1378 364.61,1379 148.105,1380 377.59,1381 513.26,1382 352,1383 146,1384 371.927,1385 171.478,1386 380.715,1387 564.21,1388 357,1389 5.1}
{0 CHEMBL1978014,1 1.525,2 13.484,3 3.596,4 12.929,5 124.203,6 7.421,7 0.6,8 4.14,9 4.277,10 3.719,11 3.666,12 5.232,13 3.65,14 4.683,15 4.869,16 4.086,17 4.087,18 5.69,19 4.05,20 4.94,21 5.155,22 4.115,23 4.223,24 5.947,25 4.146,26 5.05,27 5.306,28 4.063,29 4.17,30 6.046,31 4.089,32 4.909,33 5.161,34 4.017,35 4.053,36 6.003,37 3.995,38 4.767,39 4.981,40 3.952,41 4.021,42 5.859,43 3.957,44 4.765,45 5.005,46 3.82,47 3.965,48 5.781,49 3.871,50 4.687,51 4.949,52 3.65,53 3.881,54 5.628,55 3.762,56 0.096,57 0.917,58 11.616,59 4.762,60 11.36,61 6.514,62 0.228,63 1.466,64 21.901,65 7.827,66 20.467,67 11.257,68 0.267,69 1.732,70 29.855,71 10.581,72 39.366,73 15.295,74 0.372,75 1.78,76 36.069,77 10.858,78 53.787,79 16.264,80 0.507,81 1.572,82 31.505,83 8.96,84 69.936,85 13.465,86 0.337,87 1.469,88 25.396,89 8.264,90 47.251,91 11.863,92 0.405,93 1.421,94 26.154,95 8.47,96 45.667,97 12.356,98 0.284,99 1.251,100 24.71,101 8.414,102 39.257,103 12.549,104 10,105 50,106 0.248,107 0.619,108 0.77,109 0.828,110 0.836,111 0.836,112 3.472,113 0.903,114 -4.63,115 -4.55,116 -4.28,119 41.1,121 2,122 1,124 1,125 3,142 8,143 3,146 1,147 1,151 1,152 1,158 1,163 1,164 1,165 1,166 3,172 12,174 2,175 9,177 1,178 1,180 1,183 11,185 1,187 1,188 17,190 1,191 1,193 1,196 5,198 1,200 18,205 2,208 2,210 2,212 2,213 11,215 1,216 1,218 2,221 7,223 2,224 3,225 4,227 1,228 1,230 2,233 9,235 2,237 4,238 3,240 2,241 2,246 10,249 1,250 3,252 1,253 1,258 9,263 2,264 7,269 1,272 6,274 1,276 1598,277 21.17,278 21.17,279 21.17,280 21.17,281 21.17,282 18.647,283 25.777,284 12.38,285 21.482,286 17.287,287 17.287,288 17.287,289 17.287,290 17.287,291 13.412,292 38.364,293 5.936,294 17.769,295 4.282,296 1.997,297 1.063,298 0.706,299 0.656,300 0.656,301 4.18,305 1,306 1,307 929,308 3,311 154.634,312 288.171,315 127.282,319 2.306,320 25.301,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 66.5,332 418,333 4.698,334 3.822,335 6.875,336 4.246,337 3.274,338 4.655,339 1.886,340 11.454,341 3.181,342 4.272,343 3.135,344 6.263,345 3.9,346 2.922,347 3.905,348 0.8,349 9.395,350 2.863,351 4.003,352 2.965,353 6.099,354 3.733,355 2.748,356 3.466,357 0.522,358 8.79,359 2.699,360 3.896,361 2.739,362 5.549,363 3.541,364 2.555,365 3.306,367 7.56,368 2.523,369 3.582,370 2.69,371 5.391,372 3.262,373 2.322,374 2.978,376 6.572,377 2.181,378 3.437,379 2.218,380 5.055,381 3.124,382 2.153,383 2.645,385 6.093,386 2.082,387 3.254,388 2.054,389 5.011,390 2.883,391 1.93,392 2.392,394 5.772,395 1.834,396 2.987,397 1.925,398 4.77,399 2.633,400 1.664,401 2.132,403 4.937,404 1.608,405 2.861,406 1.649,407 4.219,408 2.437,409 1.441,410 1.992,412 3.611,413 1.433,414 2.622,415 1.48,416 3.91,417 2.148,418 1.176,419 1.673,421 2.961,422 1.139,423 2.5,424 1.192,425 3.576,426 2.057,427 1.062,428 1.5,430 2.787,431 1.051,432 2.477,433 1.077,434 3.417,435 2,436 1,437 1.433,439 2.275,440 1,441 2.2,442 1,443 3.414,444 1.984,445 1,446 1.041,448 2.136,449 0.983,450 2.108,451 0.961,452 3.274,453 1.704,454 0.712,455 1,457 1.723,458 0.702,459 2,460 0.687,461 3.247,462 1.611,463 0.597,464 0.849,466 1.528,467 0.602,468 14.633,469 0.472,470 0.763,471 0.025,472 40.25,473 1.298,474 20,475 0.645,476 20.25,477 0.653,478 25.764,479 0.831,480 32.767,481 0.585,482 31.042,483 1.001,484 7.891,485 0.255,486 7.189,487 0.232,488 0.084,490 0.355,496 0.662,497 1.196,498 0.771,499 1.048,500 0.653,501 0.943,502 0.825,503 1.121,504 0.85,505 0.963,506 0.554,507 0.911,508 0.929,509 1.176,510 1.004,511 1.147,512 0.89,513 1.096,514 1.334,515 1.084,516 0.988,517 0.97,518 1.369,519 0.938,520 1.398,521 0.911,522 0.931,523 0.761,524 1.511,525 0.779,526 1.26,527 1.097,528 1.102,529 1.068,530 1.44,531 1.07,532 1.049,533 0.924,534 1.117,535 1.026,536 1.211,537 1.075,538 0.746,539 0.898,540 0.963,541 0.973,542 0.719,543 0.989,544 6,545 0.154,546 3.556,547 2.361,548 1.722,549 1.115,550 0.72,551 0.432,552 0.337,553 0.207,554 14535,555 34024,556 2.16,557 44.6,559 17,560 1,562 2,563 1,564 4,567 1.733,568 2.044,569 3.689,570 0.225,572 1,577 85.422,578 1.525,579 3.81,580 4.745,581 5.102,582 5.151,583 5.151,584 3.272,585 4.632,586 4.919,587 3.854,588 1792.28,589 8.579,590 25736.9,592 1,595 325.212,596 1.332,597 4.896,598 0.171,599 0.006,600 0.071,601 0.048,602 0.038,603 0.025,604 0.018,605 0.012,606 0.011,607 0.007,608 0.409,609 0.17,610 0.88,611 0.486,612 162.489,613 0.147,614 0.026,615 0.076,616 -0.009,617 -0.01,618 0.013,619 0.059,620 0.013,621 0.055,622 0.04,623 0.063,624 0.047,625 0.005,626 -0.143,627 -0.062,628 -0.139,629 0.035,630 -0.114,631 -0.132,632 -0.129,633 0.03,634 -0.015,635 -0.056,636 0.026,637 -0.042,638 0.07,639 0.1,640 0.171,641 0.021,642 0.159,643 -0.076,644 -0.036,645 -0.136,646 -0.104,647 -0.121,648 -0.131,649 0.015,650 0.102,651 -0.137,652 -0.07,653 -0.12,654 -0.122,655 0.057,656 0.057,657 0.015,658 0.026,659 0.051,660 0.019,661 1.642,662 6.066,663 0.839,664 36.959,665 1,666 1.133,667 3.397,668 11.538,669 0.667,670 3.584,671 3.932,672 4.234,673 4.522,674 4.754,675 4.86,676 5.03,677 5.209,678 5.338,679 5.451,680 7.597,681 0.636,682 415.55,683 3.584,684 5.142,685 6.009,686 6.899,687 7.784,688 8.68,689 9.573,690 10.474,691 11.373,692 12.278,693 12.5,696 1,697 1,701 2,703 3,708 2,709 9,710 3,714 4,715 2,716 21,727 1,735 56,737 22,738 2,739 35,741 60,742 23,743 15,744 4,745 8,746 1,748 5,749 6,757 2,758 1,760 2,762 16,763 7,764 1,767 1,772 1,776 1,780 1,783 25,784 6,785 2,786 8,792 7,797 0.8,798 1,807 1,815 2,816 3,819 1,839 1,843 4,847 1,851 31,852 1,858 5,863 1,864 1,871 1,874 1.8,877 1,881 15.167,882 10.283,883 6.667,884 3.38,886 4.032,887 1.487,888 1.019,889 5.305,890 12.309,891 3.861,892 4.489,893 5.118,894 5.743,895 6.254,896 6.643,897 7.141,898 7.641,899 7.995,900 8.377,901 1,902 49,903 11.478,905 4.984,906 7.645,907 22.173,909 18.737,911 2.145,912 66.5,915 1,916 270.735,917 125.518,918 89.441,920 25.145,923 125.518,924 295.88,925 89.441,926 8.396,927 11.386,928 117.755,929 79.716,930 18.378,931 16.243,932 258.964,934 270.735,935 214.959,936 25.145,939 223.651,940 72.229,943 20.82,944 144.272,945 49.867,947 270.735,948 114.586,949 125.518,952 270.735,953 32.264,954 99.931,956 107.909,957 270.735,958 114.586,959 125.518,961 0.588,962 0.346,963 0.187,964 0.103,965 26,966 11,967 0.067,968 4,969 1,970 1.077,971 4.332,972 287.925,973 0.077,974 26,975 145.58,981 19.921,982 8.255,983 3.99,984 1.498,985 111.033,986 17.825,987 12.932,991 3.165,992 3.294,993 32.897,994 510.839,995 46.5,1000 13.066,1004 0.024,1007 55.992,1008 63.434,1009 0.263,1010 0.656,1011 0.817,1012 0.879,1013 0.887,1014 0.887,1015 5.107,1016 1.664,1017 5.999,1018 5.772,1019 4.615,1020 5.176,1021 2.108,1022 6.825,1023 4.563,1024 6.319,1025 1.441,1026 7.566,1027 4.937,1028 4.205,1029 4.987,1030 1.668,1031 7.732,1032 4.115,1033 7.631,1034 1.176,1035 9.231,1036 3.611,1037 6.225,1038 7.407,1039 2.891,1040 10.858,1041 6.121,1042 8.98,1043 1.062,1044 10.955,1045 2.961,1046 6.648,1047 8.105,1048 2.996,1049 12.621,1050 6.512,1051 10.365,1052 1,1053 12.718,1054 2.787,1055 8.127,1056 9.976,1057 3.978,1058 15.265,1059 7.973,1060 11.775,1061 1,1062 14.509,1063 2.275,1064 8.933,1065 11.101,1066 4.333,1067 17.394,1068 8.75,1069 13.206,1070 0.712,1071 16.32,1072 2.136,1073 10.201,1074 12.753,1075 5.164,1076 19.881,1077 9.998,1078 3.274,1079 0.597,1080 18.147,1081 1.723,1082 11.19,1083 14.088,1084 5.648,1085 22.173,1086 10.958,1087 2.922,1088 11.454,1089 19.988,1090 1.528,1091 12.379,1092 15.655,1093 6.391,1094 24.611,1095 12.122,1096 2.748,1097 9.395,1098 21.839,1099 4.655,1100 13.456,1101 17.092,1102 6.945,1103 26.976,1104 13.169,1105 2.555,1106 8.79,1107 23.7,1108 3.905,1109 14.618,1110 18.629,1111 7.638,1112 29.402,1113 14.305,1114 2.322,1115 7.56,1116 25.569,1117 3.466,1118 15.739,1119 20.114,1120 8.229,1121 31.801,1122 15.396,1123 2.153,1124 6.572,1125 27.445,1126 3.306,1127 16.896,1128 21.643,1129 8.895,1130 34.227,1131 16.525,1132 1.93,1133 6.093,1134 29.326,1135 2.978,1136 18.04,1137 23.153,1138 9.506,1139 36.643,1140 17.638,1141 13421,1142 20726,1143 23.868,1144 37.347,1145 53.938,1146 53.96,1147 54.429,1148 53.212,1149 53.113,1150 69.937,1151 6.415,1152 155.184,1153 51.76,1154 5.698,1155 5.822,1156 6.677,1157 5.282,1158 5.274,1159 7.655,1160 3.272,1161 18.96,1162 5.181,1163 12.747,1164 1.541,1165 1.542,1166 1.555,1167 1.52,1168 1.518,1169 1.998,1170 0.183,1171 4.434,1172 1.479,1173 4.153,1174 4.193,1175 4.127,1176 4.036,1177 7.427,1178 4.051,1179 3.955,1180 4.007,1181 3.903,1182 3.857,1183 5.215,1184 3.855,1185 3.863,1186 3.919,1187 3.767,1188 3.721,1189 5.085,1190 3.723,1191 3.767,1192 3.826,1193 3.7,1194 3.564,1195 4.738,1196 3.599,1197 3.421,1198 3.479,1199 3.345,1200 3.197,1201 4.669,1202 3.225,1203 3.28,1204 3.359,1205 3.171,1206 3.076,1207 4.345,1208 3.087,1209 3.111,1210 3.206,1211 2.937,1212 2.941,1213 4.208,1214 2.921,1215 3.076,1216 3.159,1217 2.866,1218 2.928,1219 3.803,1220 2.91,1221 0.134,1222 0.109,1223 0.196,1224 0.121,1225 0.094,1226 4.698,1227 0.133,1228 3.822,1229 0.054,1230 6.875,1231 0.327,1232 4.246,1233 0.091,1234 3.274,1235 4.655,1236 1.886,1237 11.454,1238 3.181,1239 1.963,1240 1.941,1241 2.063,1242 2.07,1243 1.414,1244 2.068,1245 1.913,1246 1.882,1247 2.044,1248 2.017,1249 1.192,1250 2.027,1251 1.843,1252 1.79,1253 2.007,1254 1.989,1255 1.155,1256 1.998,1257 1.469,1258 1.411,1259 1.63,1260 1.743,1261 0.825,1262 1.696,1263 1.42,1264 1.352,1265 1.611,1266 1.695,1267 0.773,1268 1.668,1269 1.262,1270 1.196,1271 1.513,1272 1.523,1273 0.751,1274 1.525,1275 1.198,1276 1.118,1277 1.472,1278 1.44,1279 0.504,1280 1.429,1281 1.153,1282 1.064,1283 1.364,1284 1.376,1285 0.429,1286 1.422,1287 4.263,1289 5.602,1290 3.045,1291 7.128,1292 5.416,1293 8.736,1294 7.526,1295 10.388,1297 2.083,1301 6.187,1303 4.196,1308 -0.017,1309 2.247,1314 35.606,1315 85.422,1316 213.38,1317 265.702,1318 285.702,1319 288.457,1320 288.457,1321 50.085,1322 8.277,1323 94.86,1324 94.86,1325 28,1326 12.798,1327 4.524,1328 3.644,1329 43.841,1330 142,1331 144,1332 0.152,1333 216.71,1334 360.45,1335 520.532,1336 49989,1338 21.372,1339 0.689,1340 0.564,1341 21.372,1342 17.478,1343 15.081,1344 0.431,1345 0.301,1346 10.389,1347 14.493,1348 10.154,1349 8.407,1350 15.081,1351 10.537,1352 13.836,1353 0.277,1354 0.165,1355 13.836,1356 8.232,1357 12.04,1358 0.177,1359 0.088,1360 12.04,1361 6.007,1362 10.072,1363 0.111,1364 0.046,1365 10.072,1366 4.176,1367 8.231,1368 0.072,1369 0.026,1370 8.231,1371 2.961,1372 0.243,1373 94.512,1374 0.205,1375 29.45,1376 0.407,1377 170,1378 452.918,1379 185.425,1380 446.61,1381 623.88,1382 418,1383 203,1384 482.572,1385 221.395,1386 487.905,1387 711.85,1388 458,1389 5.1}
{0 CHEMBL1978099,1 1.913,2 14.094,3 2.988,4 8.93,5 117.971,6 8.689,7 0.529,8 4.09,9 4.198,10 3.891,11 3.594,12 5.307,13 3.594,14 4.582,15 4.728,16 4.162,17 3.922,18 6.06,19 3.92,20 4.787,21 4.949,22 4.22,23 4.036,24 6.182,25 4.013,26 4.822,27 5.006,28 4.112,29 4.02,30 6.085,31 3.971,32 4.863,33 5.089,34 4.055,35 3.958,36 6.167,37 3.919,38 4.705,39 4.91,40 4.002,41 3.863,42 5.996,43 3.847,44 4.635,45 4.843,46 3.973,47 3.799,48 6.012,49 3.766,50 4.573,51 4.797,52 3.871,53 3.72,54 5.856,55 3.681,56 0.227,57 0.907,58 11.206,59 4.6,60 29.302,61 4.967,62 0.644,63 1.325,64 19.501,65 7.702,66 85.92,67 8.723,68 0.954,69 1.574,70 24.45,71 8.756,72 99.535,73 9.923,74 0.756,75 1.528,76 29.477,77 9.911,78 83.441,79 11.5,80 1.036,81 1.506,82 31.997,83 9.208,84 114.742,85 11.747,86 0.777,87 1.447,88 24.412,89 7.404,90 96.162,91 9.046,92 0.762,93 1.345,94 21.766,95 7.357,96 79.959,97 9.134,98 0.746,99 1.218,100 23.287,101 7.031,102 73.098,103 8.791,104 57,105 48,106 0.315,107 0.673,108 0.801,109 0.863,110 0.871,111 0.871,112 3.502,113 0.956,114 -2.6,115 -2.62,116 -2.55,119 37.7,120 1,124 1,125 1,142 7,143 1,144 5,145 1,147 1,150 1,158 1,163 1,164 1,165 1,172 5,174 2,175 2,177 2,178 6,180 4,183 6,187 1,188 6,191 1,193 5,196 5,198 2,200 10,203 1,204 1,205 3,210 2,213 8,216 3,217 1,218 4,220 1,223 1,225 6,230 6,237 5,238 4,240 2,241 2,243 3,253 1,254 1,255 1,258 4,263 1,267 3,268 1,269 1,271 1,272 6,276 1954,277 20.806,278 20.806,279 20.806,280 20.806,281 20.806,282 18.074,283 30.639,284 12.072,285 21.412,286 16.7,287 16.7,288 16.7,289 16.7,290 16.7,291 12.479,292 45.182,293 5.714,294 17.693,295 3.815,296 1.646,297 0.866,298 0.496,299 0.444,300 0.444,301 4.179,305 1,306 1,307 936,308 4.243,312 352.894,319 2.475,320 51.063,323 1,324 0.67,325 1,326 0.6,328 0.83,329 0.5,330 0.66,331 72.5,332 451,333 4.845,334 4.685,335 7.24,336 4.298,337 3.377,338 4.71,339 2.03,340 12.181,341 3.082,342 4.28,343 3.601,344 6.117,345 3.847,346 2.92,347 3.923,348 0.892,349 9,350 2.704,351 4.029,352 3.206,353 5.606,354 3.602,355 2.648,356 3.623,357 0.4,358 7.675,359 2.523,360 3.961,361 2.867,362 5.477,363 3.506,364 2.545,365 3.55,366 0.4,367 7.303,368 2.444,369 3.655,370 2.779,371 5.339,372 3.33,373 2.343,374 2.934,375 0.141,376 6.673,377 2.304,378 3.584,379 2.479,380 5.142,381 3.189,382 2.227,383 2.837,385 6.324,386 2.131,387 3.42,388 2.447,389 4.929,390 3.034,391 2.079,392 2.686,394 5.729,395 1.969,396 3.264,397 2.064,398 4.901,399 2.819,400 1.872,401 2.544,403 5.528,404 1.758,405 2.827,406 1.699,407 4.168,408 2.338,409 1.423,410 1.957,412 3.758,413 1.294,414 2.658,415 1.408,416 4.033,417 2.146,418 1.154,419 1.711,421 3.138,422 1.142,423 2.5,424 1.294,425 3.414,426 2,427 1,428 1.5,430 2.275,431 1,432 1.92,433 1.089,434 3.203,435 1.678,436 0.795,437 0.859,439 1.678,440 0.696,441 1.653,442 1,443 3.062,444 1.316,445 0.412,446 0.491,448 0.966,449 0.367,450 1.485,451 0.793,452 2.938,453 1.21,454 0.26,455 0.301,457 0.519,458 0.244,459 1.41,460 0.546,461 2.869,462 1.052,463 0.11,464 0.132,466 0.199,467 0.102,468 14.852,469 0.464,470 1.021,471 0.032,472 45,473 1.406,474 24,475 0.75,476 21,477 0.656,478 23.827,479 0.745,480 35.548,481 0.671,482 38.076,483 1.19,484 9.104,485 0.284,486 6.047,487 0.189,488 0.181,489 0.056,490 0.303,494 1,496 0.702,497 1.274,498 0.789,499 1.225,500 0.694,501 0.914,502 0.704,503 1,504 0.839,505 1.016,506 0.531,507 0.898,508 1.042,509 0.995,510 1.008,511 0.987,512 1.019,513 1.037,514 1.01,515 1.176,516 1.181,517 1.274,518 0.936,519 1.18,520 0.972,521 0.851,522 0.909,523 0.79,524 0.974,525 0.848,526 1.247,527 1.217,528 0.916,529 0.889,530 1.208,531 0.938,532 0.876,533 1.123,534 0.836,535 0.897,536 0.833,537 0.986,538 0.908,539 1.013,540 0.903,541 0.899,542 0.831,543 0.892,544 9,545 0.252,546 3.778,547 2.125,548 1.867,549 1.028,550 0.789,551 0.618,552 0.386,553 0.315,554 14596,555 53434,556 1.968,557 39.6,558 3,559 12,561 1,562 5,567 1.741,568 1.803,569 3.736,570 2.469,572 1,577 101.393,578 1.913,579 4.081,580 4.862,581 5.232,582 5.284,583 5.284,584 3.204,585 4.414,586 4.967,587 3.966,588 1967.18,589 8.671,590 30254.4,595 303.58,596 1.663,597 4.899,598 0.265,599 0.009,600 0.079,601 0.044,602 0.043,603 0.024,604 0.02,605 0.017,606 0.012,607 0.01,608 0.523,609 0.17,610 0.75,611 1.355,612 171.597,613 -0.055,614 -0.133,615 0.151,616 -0.064,617 -0.158,618 0.039,619 0.143,620 0.033,621 0.051,622 0.002,623 0.213,624 0.044,625 -0.032,626 0.052,627 -0.111,628 -0.012,629 -0.061,630 -0.11,631 -0.135,632 -0.214,633 -0.173,634 -0.226,635 -0.091,636 -0.186,637 -0.042,638 0.031,639 0.03,640 0.109,641 -0.048,642 0.13,643 -0.237,644 -0.122,645 -0.047,646 0.008,647 -0.191,648 0.009,649 0.057,650 -0.041,651 0.033,652 -0.004,653 0.042,654 -0.039,655 0.027,656 0.06,657 0.066,658 0.054,659 0.006,660 0.093,661 4.82,662 6.215,663 0.563,664 39.637,665 1.03,666 1.14,667 1.369,668 1.873,669 0.67,670 3.555,671 3.892,672 4.06,673 4.248,674 4.477,675 4.466,676 4.595,677 4.7,678 4.796,679 4.883,680 8.271,681 0.656,682 460.54,683 3.555,684 5.106,685 5.927,686 6.799,687 7.64,688 8.512,689 9.361,690 10.233,691 11.088,692 11.96,693 11.3,697 1,700 1,701 2,703 2,709 8,710 2,714 8,716 18,728 2,733 1,734 1,735 53,737 21,738 2,739 34,741 55,742 20,743 16,744 5,745 7,748 3,749 3,754 1,762 17,763 3,767 3,770 1,772 3,776 1,780 1,781 1,783 21,784 11,785 5,786 12,787 1,792 6,797 1,798 4,810 1,816 3,829 1,843 3,845 1,847 2,849 1,851 32,852 1,855 1,858 1,860 3,861 1,873 1,874 7.5,877 3,879 1,881 17.75,882 9.876,883 6.972,884 2.718,886 3.563,887 1.469,888 0.981,889 7.38,890 11.155,891 3.85,892 4.483,893 4.925,894 5.436,895 5.985,896 6.101,897 6.475,898 6.841,899 7.215,900 7.581,901 1,902 48,903 12.071,905 5.394,906 8.232,907 21.477,909 16.994,911 2.732,912 87.417,915 1,916 188.338,917 136.548,918 118.895,920 80.458,921 14.96,922 5.807,923 130.741,924 268.795,925 133.855,926 17.222,927 22.603,928 103.433,929 119.505,930 80.683,931 19.187,932 176.567,934 188.338,935 249.636,936 95.418,937 5.807,939 203.298,940 80.458,943 78.396,944 137.668,945 39.378,947 203.298,948 199.353,949 136.548,951 5.807,952 188.338,953 38.138,954 92.603,955 54.032,956 160.28,957 188.338,958 214.313,959 136.548,961 0.59,962 0.325,963 0.155,964 0.088,965 21,966 11,967 0.145,968 8,970 1,971 4.276,972 274.31,974 18,975 154,980 1,981 23.57,982 10.02,983 6.455,985 214.313,986 12.031,987 7.974,991 1.065,993 85.324,994 539.199,995 46,998 -3.904,1000 34.64,1004 -0.264,1007 54.578,1008 60.409,1009 0.334,1010 0.713,1011 0.849,1012 0.913,1013 0.923,1014 0.923,1015 5.091,1016 1.872,1017 5.953,1018 5.729,1019 4.575,1020 5.17,1021 2.336,1022 6.763,1023 4.459,1024 6.34,1025 1.423,1026 7.526,1027 5.528,1028 4.369,1029 5.263,1030 1.593,1031 7.861,1032 4.179,1033 7.687,1034 1.154,1035 9.204,1036 3.758,1037 6.225,1038 7.459,1039 3.27,1040 10.84,1041 5.975,1042 9.07,1043 1,1044 10.947,1045 3.138,1046 6.77,1047 8.308,1048 3.201,1049 12.763,1050 6.416,1051 10.484,1052 0.795,1053 12.735,1054 2.275,1055 8.174,1056 10.072,1057 4.494,1058 15.376,1059 7.763,1060 11.921,1061 0.412,1062 14.557,1063 1.678,1064 9.058,1065 11.266,1066 4.75,1067 17.647,1068 8.528,1069 13.378,1070 0.26,1071 16.406,1072 0.966,1073 10.305,1074 12.877,1075 5.814,1076 20.166,1077 9.708,1078 3.377,1079 0.11,1080 18.279,1081 0.519,1082 11.352,1083 14.242,1084 6.248,1085 22.577,1086 10.634,1087 2.92,1088 12.181,1089 20.171,1090 0.199,1091 12.55,1092 15.797,1093 7.174,1094 25.075,1095 11.752,1096 2.648,1097 9,1098 22.079,1099 4.71,1100 13.675,1101 17.25,1102 7.714,1103 27.54,1104 12.762,1105 2.545,1106 7.675,1107 24.001,1108 3.923,1109 14.863,1110 18.787,1111 8.557,1112 30.035,1113 13.861,1114 2.343,1115 7.303,1116 25.934,1117 3.623,1118 16.027,1119 20.284,1120 9.16,1121 32.52,1122 14.916,1123 2.227,1124 6.673,1125 27.875,1126 3.55,1127 17.218,1128 21.819,1129 9.952,1130 35.016,1131 16.013,1132 2.079,1133 6.324,1134 29.825,1135 2.934,1136 18.403,1137 23.339,1138 10.594,1139 37.51,1140 17.093,1141 14483,1142 27894,1143 21.671,1144 35.529,1145 50.396,1146 53.039,1147 52.172,1148 50.316,1149 50.328,1150 67.517,1151 7.727,1152 145.896,1153 47.519,1154 5.695,1155 6.685,1156 6.801,1157 5.375,1158 5.377,1159 7.71,1160 3.634,1161 19.593,1162 5.082,1163 20.649,1164 1.482,1165 1.56,1166 1.534,1167 1.48,1168 1.48,1169 1.986,1170 0.227,1171 4.291,1172 1.398,1173 4.085,1174 4.079,1175 4.73,1176 4.067,1177 8.201,1178 3.99,1179 3.946,1180 3.972,1181 3.926,1182 3.841,1183 7.726,1184 3.846,1185 3.805,1186 3.84,1187 3.797,1188 3.639,1189 7.429,1190 3.657,1191 3.637,1192 3.669,1193 3.694,1194 3.537,1195 6.999,1196 3.469,1197 3.61,1198 3.624,1199 3.527,1200 3.355,1201 4.978,1202 3.39,1203 3.244,1204 3.323,1205 3.129,1206 3.067,1207 4.832,1208 3.062,1209 3.174,1210 3.254,1211 3.016,1212 2.913,1213 4.822,1214 2.922,1215 2.99,1216 3.072,1217 2.827,1218 2.762,1219 4.646,1220 2.768,1221 0.143,1222 0.138,1223 0.213,1224 0.126,1225 0.099,1226 4.845,1227 0.139,1228 4.685,1229 0.06,1230 7.24,1231 0.358,1232 4.298,1233 0.091,1234 3.377,1235 4.71,1236 2.03,1237 12.181,1238 3.082,1239 1.979,1240 1.982,1241 2.016,1242 2.067,1243 1.212,1244 2.084,1245 1.892,1246 1.866,1247 1.991,1248 2.012,1249 1.071,1250 2.01,1251 1.699,1252 1.66,1253 1.76,1254 1.895,1255 0.797,1256 1.868,1257 1.508,1258 1.483,1259 1.734,1260 1.792,1261 0.738,1262 1.777,1263 1.452,1264 1.453,1265 1.534,1266 1.643,1267 0.61,1268 1.684,1269 1.23,1270 1.156,1271 1.478,1272 1.462,1273 0.592,1274 1.486,1275 1.137,1276 1.05,1277 1.277,1278 1.429,1279 0.515,1280 1.45,1281 0.923,1282 0.853,1283 1.181,1284 1.201,1285 0.218,1286 1.188,1287 4.234,1289 5.565,1291 7.072,1293 8.66,1295 10.289,1297 3.13,1299 14.215,1301 5.226,1303 -0.12,1305 8.109,1306 5.314,1314 34.772,1315 101.393,1316 216.319,1317 257.664,1318 277.315,1319 280.07,1320 280.07,1321 85.514,1322 7.592,1323 148.33,1324 156.71,1325 18,1326 12.505,1327 4.459,1328 3.7,1329 61.51,1330 157,1331 180,1332 0.187,1333 220.243,1334 384.12,1335 529.153,1336 22030,1337 1.9,1338 23.303,1339 0.728,1340 0.564,1341 22.683,1342 18.033,1343 15.151,1344 0.446,1345 0.319,1346 9.227,1347 13.618,1348 8.859,1349 7.401,1350 15.635,1351 10.836,1352 14.494,1353 0.302,1354 0.17,1355 15.345,1356 8.182,1357 10.922,1358 0.192,1359 0.093,1360 11.13,1361 5.314,1362 8.265,1363 0.12,1364 0.05,1365 8.812,1366 3.429,1367 6.883,1368 0.079,1369 0.024,1370 6.957,1371 2.091,1372 0.303,1373 105.689,1374 0.215,1375 30.486,1376 0.49,1377 164,1378 641.515,1379 221.621,1380 608.842,1381 800.56,1382 558,1383 187,1384 546.949,1385 251.203,1386 580.902,1387 835.47,1388 540,1389 5.4}
{0 CHEMBL1978166,1 1.468,2 18.553,3 6.786,4 46.048,5 160.207,6 7.202,7 0.537,8 4.352,9 4.486,10 3.913,11 3.955,12 5.426,13 3.892,14 4.865,15 5.047,16 4.23,17 4.344,18 5.879,19 4.237,20 5.127,21 5.361,22 4.286,23 4.46,24 6.063,25 4.328,26 5.152,27 5.395,28 4.317,29 4.443,30 6.12,31 4.305,32 5.117,33 5.357,34 4.181,35 4.378,36 6.112,37 4.235,38 5.046,39 5.292,40 4.103,41 4.307,42 6.027,43 4.171,44 4.976,45 5.209,46 4.023,47 4.272,48 5.935,49 4.133,50 4.941,51 5.182,52 3.997,53 4.251,54 5.861,55 4.096,56 0.089,57 1.056,58 16.312,59 6.801,60 14.801,61 9.177,62 0.287,63 1.674,64 29.601,65 12.267,66 32.502,67 16.516,68 0.269,69 2.057,70 39.903,71 15.332,72 44.331,73 21.04,74 0.266,75 2.104,76 43.323,77 15.859,78 48.851,79 21.828,80 0.336,81 2,82 43.156,83 15.356,84 60.322,85 20.313,86 0.306,87 1.866,88 39.979,89 14.213,90 55.728,91 19.044,92 0.302,93 1.759,94 35.553,95 12.792,96 49.443,97 17.588,98 0.245,99 1.698,100 34.889,101 13.522,102 38.782,103 18.238,104 27,105 54,106 0.226,107 0.584,108 0.741,109 0.832,110 0.872,111 0.884,112 3.667,113 1.026,114 -5.83,115 -5.69,116 -5.3,119 42.5,120 1,121 7,125 1,141 2,142 8,143 5,144 2,145 1,147 1,151 1,152 1,159 1,163 2,164 2,165 2,172 20,175 2,177 1,178 3,179 1,180 6,183 25,185 2,188 2,193 6,196 20,198 2,200 7,205 11,208 15,210 4,213 7,218 9,221 13,223 4,225 6,230 8,233 16,235 4,238 2,243 4,246 19,248 2,250 2,253 1,254 1,255 4,257 1,258 20,260 2,264 2,269 4,272 17,274 2,276 3548,277 26.043,278 26.043,279 26.043,280 26.043,281 26.043,282 22.958,283 22.195,284 16.121,285 26.401,286 20.274,287 20.274,288 20.274,289 20.274,290 20.274,291 15.628,292 25.088,293 7.724,294 20.852,295 4.722,296 2.397,297 1.377,298 0.788,299 0.531,300 0.449,301 4.364,307 1491,308 4.416,311 96.418,312 394.27,315 182.468,319 3.529,320 26.325,323 0.25,324 0.33,325 0.5,326 0.6,327 0.5,328 0.67,329 1,330 0.55,331 79.5,332 705,333 4.732,334 3.563,335 6.972,336 4.252,337 3.286,338 4.712,339 1.656,340 11.822,341 3.176,342 4.156,343 3.364,344 6.078,345 3.736,346 2.761,347 3.74,348 0.247,349 8.757,350 2.688,351 4.074,352 2.881,353 5.63,354 3.66,355 2.675,356 3.66,358 7.806,359 2.629,360 3.937,361 2.74,362 5.535,363 3.454,364 2.474,365 3.33,367 7.244,368 2.418,369 3.704,370 2.589,371 5.373,372 3.211,373 2.234,374 2.98,376 6.76,377 2.182,378 3.469,379 2.37,380 4.903,381 3.057,382 2.09,383 2.776,385 5.71,386 2.019,387 3.436,388 2.265,389 4.718,390 2.916,391 1.923,392 2.597,394 4.974,395 1.91,396 3.187,397 2.136,398 4.505,399 2.78,400 1.831,401 2.345,403 4.596,404 1.742,405 3.079,406 1.889,407 4.196,408 2.702,409 1.712,410 2.153,412 3.83,413 1.683,414 2.884,415 1.85,416 3.914,417 2.624,418 1.644,419 1.864,421 3.42,422 1.584,423 2.659,424 1.521,425 3.725,426 2.323,427 1.335,428 1.73,430 3.131,431 1.317,432 2.58,433 1.24,434 3.614,435 2.18,436 1.183,437 1.595,439 2.596,440 1.179,441 2.555,442 1.181,443 3.479,444 2.048,445 1.088,446 1.518,448 2.584,449 1.035,450 2.5,451 1.033,452 3.414,453 2,454 1,455 1.5,457 2.275,458 1,459 2.279,460 1,461 3.315,462 1.896,463 0.953,464 1.197,466 2.203,467 0.892,468 18.667,469 0.491,470 0.712,471 0.019,472 47.75,473 1.257,474 25,475 0.658,476 22.75,477 0.599,478 36.3,479 0.955,480 40.133,481 0.55,482 36.639,483 0.964,484 8.798,485 0.232,486 9.748,487 0.257,488 0.088,490 0.268,496 0.958,497 1.055,498 0.853,499 0.89,500 0.833,501 0.903,502 0.506,503 1.022,504 0.914,505 1.017,506 0.523,507 1.013,508 0.947,509 0.976,510 0.85,511 0.886,512 0.866,513 0.919,514 0.796,515 1.089,516 0.86,517 0.999,518 0.745,519 0.929,520 1.35,521 1.023,522 1.129,523 1.039,524 1.323,525 0.974,526 1.224,527 0.993,528 1.071,529 0.991,530 1.194,531 0.922,532 1.252,533 1.005,534 1.079,535 1.009,536 1.296,537 1.029,538 0.669,539 0.989,540 1.035,541 1.075,542 0.728,543 1.03,544 6,545 0.202,546 3.111,547 2.153,548 1.824,549 1.059,550 0.645,551 0.436,552 0.339,553 0.303,554 26662,555 60733,556 2.069,557 47.9,558 15,559 10,560 1,561 1,562 6,564 2,567 1.782,568 1.966,569 4.108,570 2.92,577 107.143,578 1.468,579 3.793,580 4.813,581 5.402,582 5.659,583 5.741,584 3.645,585 4.965,586 5.204,587 4.329,588 3043.62,589 9.148,590 55856,595 451.857,596 1.267,597 5.192,598 0.146,599 0.005,600 0.058,601 0.039,602 0.034,603 0.022,604 0.014,605 0.01,606 0.008,607 0.008,608 0.345,610 0.75,611 1.861,612 218.223,613 -0.105,614 0.104,615 0.039,616 0.109,617 -0.087,618 0.076,619 0.269,620 0.046,621 0.037,622 0.009,623 0.152,624 -0.011,625 -0.034,626 0.026,627 0.092,628 0.092,629 -0.013,630 0.07,631 0.102,632 -0.098,633 0.168,634 0.024,635 0.131,636 0.071,637 -0.103,638 -0.018,639 -0.03,640 -0.001,641 -0.02,642 0.01,643 -0.076,644 0.009,645 0.001,646 0.033,647 -0.006,648 0.063,649 -0.162,650 0.008,651 -0.099,652 -0.026,653 -0.187,654 -0.053,655 0.085,656 0.003,657 -0.015,658 -0.04,659 0.008,660 -0.02,661 1.951,662 5.399,663 0.553,664 69.269,665 0.989,666 1.121,667 4.6,668 21.157,669 0.679,670 3.738,671 4.007,672 4.248,673 4.522,674 4.718,675 4.804,676 4.92,677 5.094,678 5.153,679 5.252,680 10.359,681 0.629,682 525.78,683 3.738,684 5.252,685 6.08,686 6.94,687 7.793,688 8.668,689 9.536,690 10.422,691 11.301,692 12.194,693 6.8,694 1,697 1,700 2,703 1,708 2,709 10,710 1,713 1,714 7,716 22,727 1,735 73,737 24,738 2,739 41,741 76,742 31,743 19,744 4,745 8,748 4,749 5,753 1,754 2,760 7,761 2,762 20,763 9,767 1,772 1,776 1,783 35,784 6,785 6,786 7,787 1,792 5,797 0.75,798 1,809 1,815 1,816 3,819 1,823 2,836 1,843 3,845 1,847 1,851 38,852 2,858 8,860 2,866 1,869 1,872 2,874 1.4,877 1,881 19.333,882 13.033,883 8.639,884 4.596,886 4.991,887 1.595,888 0.998,889 10.288,890 13.372,891 4.025,892 4.598,893 5.194,894 5.838,895 6.388,896 6.763,897 7.217,898 7.703,899 8.026,900 8.408,901 0.923,902 55,903 14.033,905 5.793,906 7.618,907 27.28,909 22.096,911 2.118,912 80.5,916 341.362,917 214.696,918 118.601,920 25.145,922 31.278,923 183.419,924 366.507,925 118.601,926 8.825,927 88.766,928 116.356,929 53.702,930 29.876,931 53.182,932 349.097,934 341.362,935 302.02,936 25.145,937 31.278,939 317.82,940 48.687,943 106.639,944 144.535,945 50.847,946 31.278,947 341.362,948 143.746,949 214.696,952 341.362,953 79.303,954 101.332,955 70.083,956 107.725,957 341.362,958 143.746,959 214.696,961 0.56,962 0.316,963 0.174,964 0.093,965 22,966 10,967 0.132,968 10,969 1,970 1.095,971 5.054,972 341.831,973 0.095,974 21,975 193.421,977 1,981 27.792,982 14.066,983 7.885,984 1.987,985 143.746,986 19.297,987 4.432,990 1.634,991 5.988,993 101.816,994 699.805,995 55,1000 12.399,1004 -0.285,1007 72.167,1008 81.849,1009 0.237,1010 0.613,1011 0.778,1012 0.873,1013 0.914,1014 0.928,1015 5.239,1016 1.831,1017 6.028,1018 4.974,1019 4.691,1020 5.286,1021 1.758,1022 6.797,1023 4.635,1024 6.438,1025 1.712,1026 7.551,1027 4.596,1028 4.111,1029 4.997,1030 1.195,1031 7.639,1032 4.038,1033 7.737,1034 1.644,1035 9.181,1036 3.83,1037 6.225,1038 7.501,1039 2.415,1040 10.784,1041 6.115,1042 9.076,1043 1.335,1044 10.88,1045 3.42,1046 6.524,1047 8.122,1048 2.324,1049 12.572,1050 6.383,1051 10.45,1052 1.183,1053 12.627,1054 3.131,1055 8.059,1056 10.057,1057 3.244,1058 15.24,1059 7.892,1060 11.851,1061 1.088,1062 14.409,1063 2.596,1064 8.8,1065 11.138,1066 3.407,1067 17.43,1068 8.593,1069 13.275,1070 1,1071 16.22,1072 2.584,1073 10.098,1074 12.833,1075 4.156,1076 19.953,1077 9.865,1078 3.286,1079 0.953,1080 18.053,1081 2.275,1082 11.063,1083 14.152,1084 4.464,1085 22.309,1086 10.788,1087 2.761,1088 11.822,1089 19.903,1090 2.203,1091 12.268,1092 15.747,1093 5.111,1094 24.789,1095 11.965,1096 2.675,1097 8.757,1098 21.769,1099 4.712,1100 13.343,1101 17.184,1102 5.504,1103 27.213,1104 12.998,1105 2.474,1106 7.806,1107 23.647,1108 3.74,1109 14.518,1110 18.742,1111 6.091,1112 29.682,1113 14.142,1114 2.234,1115 7.244,1116 25.535,1117 3.66,1118 15.646,1119 20.237,1120 6.531,1121 32.132,1122 15.23,1123 2.09,1124 6.76,1125 27.432,1126 3.33,1127 16.815,1128 21.783,1129 7.083,1130 34.6,1131 16.366,1132 1.923,1133 5.71,1134 29.336,1135 2.98,1136 17.969,1137 23.305,1138 7.551,1139 37.061,1140 17.482,1141 25777,1142 39283,1143 27.622,1144 49.552,1145 60.183,1146 60.972,1147 61.137,1148 58.968,1149 59.086,1150 78.617,1151 3.806,1152 160.903,1153 57.325,1154 5.643,1155 5.563,1156 6.953,1157 5.358,1158 5.286,1159 7.712,1160 2.912,1161 19.202,1162 5.176,1163 17.839,1164 1.468,1165 1.487,1166 1.491,1167 1.438,1168 1.441,1169 1.917,1170 0.093,1171 3.924,1172 1.398,1173 4.12,1174 4.131,1175 4.34,1176 4.128,1177 7.431,1178 4.087,1179 3.935,1180 3.969,1181 3.885,1182 3.862,1183 5.194,1184 3.858,1185 3.849,1186 3.882,1187 3.805,1188 3.789,1189 5.007,1190 3.782,1191 3.791,1192 3.853,1193 3.649,1194 3.678,1195 4.815,1196 3.658,1197 3.621,1198 3.689,1199 3.527,1200 3.509,1201 4.762,1202 3.491,1203 3.458,1204 3.508,1205 3.418,1206 3.315,1207 4.73,1208 3.302,1209 3.39,1210 3.457,1211 3.38,1212 3.169,1213 4.459,1214 3.198,1215 3.268,1216 3.323,1217 3.245,1218 3.122,1219 4.23,1220 3.106,1221 0.115,1222 0.087,1223 0.17,1224 0.104,1225 0.08,1226 4.732,1227 0.115,1228 3.563,1229 0.04,1230 6.972,1231 0.288,1232 4.252,1233 0.077,1234 3.286,1235 4.712,1236 1.656,1237 11.822,1238 3.176,1239 1.965,1240 1.946,1241 2.053,1242 2.048,1243 1.402,1244 2.047,1245 1.913,1246 1.884,1247 2.042,1248 2.007,1249 1.201,1250 2.015,1251 1.851,1252 1.829,1253 2.026,1254 1.963,1255 1.172,1256 1.994,1257 1.788,1258 1.731,1259 1.916,1260 1.921,1261 1.131,1262 1.926,1263 1.624,1264 1.562,1265 1.843,1266 1.806,1267 1.008,1268 1.833,1269 1.44,1270 1.412,1271 1.658,1272 1.623,1273 0.894,1274 1.627,1275 1.352,1276 1.294,1277 1.561,1278 1.587,1279 0.648,1280 1.583,1281 1.269,1282 1.218,1283 1.459,1284 1.428,1285 0.611,1286 1.469,1287 4.419,1289 5.7,1290 2.398,1291 7.171,1292 4.727,1293 8.742,1294 6.88,1295 10.373,1297 1.988,1301 11.854,1303 8.827,1305 5.741,1313 6.636,1314 45.911,1315 107.143,1316 276.908,1317 351.328,1318 394.347,1319 413.102,1320 419.102,1321 72.692,1322 8.381,1323 106.06,1324 134.3,1325 23,1326 12.725,1327 4.644,1328 3.907,1329 68.102,1330 228,1331 304,1332 0.14,1333 289.602,1334 499.8,1335 698.389,1336 64125,1338 26.744,1339 0.704,1340 0.596,1341 27.098,1342 22.665,1343 18.546,1344 0.452,1345 0.342,1346 13.137,1347 17.746,1348 12.716,1349 10.67,1350 19,1351 14.026,1352 15.909,1353 0.295,1354 0.19,1355 16.434,1356 10.278,1357 12.769,1358 0.185,1359 0.106,1360 13.489,1361 7.346,1362 10.851,1363 0.119,1364 0.059,1365 11.793,1366 5.394,1367 8.465,1368 0.076,1369 0.032,1370 9.292,1371 3.531,1372 0.231,1373 118.308,1374 0.19,1375 35.766,1376 0.355,1377 190,1378 467.531,1379 222.267,1380 493.436,1381 682.21,1382 462,1383 218,1384 491.276,1385 248.369,1386 521.728,1387 756.81,1388 491,1389 5.6}
{0 CHEMBL1978200,1 1.695,2 10.839,3 3.517,4 12.37,5 113.817,6 8.009,7 0.647,8 4.086,9 4.208,10 3.703,11 3.59,12 5.285,13 3.598,14 4.605,15 4.783,16 4.113,17 3.966,18 5.828,19 3.971,20 4.86,21 5.053,22 4.156,23 4.096,24 6.086,25 4.08,26 4.944,27 5.192,28 4.165,29 4.097,30 6.184,31 4.061,32 4.835,33 5.06,34 4.127,35 4.097,36 5.944,37 4.066,38 4.825,39 5.02,40 4.243,41 4.125,42 6.123,43 4.107,44 4.904,45 5.117,46 4.156,47 4.103,48 6.18,49 4.079,50 4.869,51 5.107,52 3.911,53 3.976,54 6.095,55 3.895,56 0.118,57 0.969,58 9.554,59 4.477,60 15.533,61 5.531,62 0.324,63 1.517,64 18.808,65 7.385,66 32.68,67 9.523,68 0.659,69 1.837,70 26.658,71 9.11,72 81.994,73 11.195,74 0.898,75 1.969,76 32.35,77 9.644,78 116.13,79 13.668,80 0.586,81 1.752,82 26.62,83 8.639,84 52.67,85 11.934,86 0.559,87 1.869,88 24.472,89 9.063,90 55.323,91 12.251,92 0.672,93 2.001,94 27.937,95 8.879,96 65.394,97 11.583,98 0.761,99 1.76,100 29.259,101 9.844,102 85.462,103 12.98,104 41,105 50,106 0.279,107 0.653,108 0.825,109 0.863,110 0.863,111 0.863,112 3.473,113 0.866,114 -4.29,115 -4.22,116 -3.99,119 41.5,120 3,121 1,125 1,130 1,142 4,143 1,144 2,145 2,146 3,150 1,151 1,152 1,161 1,172 2,174 2,175 4,178 2,180 4,183 6,187 3,188 5,196 1,199 1,200 7,204 1,205 3,208 1,212 1,213 4,216 1,221 2,224 2,225 10,228 3,230 1,233 5,238 4,243 1,246 2,249 1,250 4,253 1,255 4,258 3,264 2,267 1,272 1,276 1788,277 20.309,278 20.309,279 20.309,280 20.309,281 20.309,282 17.68,283 16.821,284 11.706,285 20.883,286 16.798,287 16.798,288 16.798,289 16.798,290 16.798,291 12.848,292 21.151,293 5.567,294 17.811,295 4.033,296 1.769,297 0.722,298 0.496,299 0.496,300 0.496,301 4.163,305 1,306 1,307 715,308 3.742,311 63.254,312 257.598,315 123.693,319 1.596,320 44.543,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 69,332 336,333 4.774,334 3.41,335 7.084,336 4.315,337 3.365,338 4.727,339 0.4,340 12.286,341 3.201,342 4.26,343 3.333,344 6.394,345 4.054,346 3.099,347 3.942,349 9.952,350 2.951,351 4.114,352 3.132,353 6.36,354 3.816,355 2.86,356 3.724,358 9.573,359 2.724,360 4.084,361 2.796,362 6.048,363 3.643,364 2.702,365 3.213,367 8.602,368 2.545,369 3.748,370 2.708,371 5.429,372 3.312,373 2.38,374 3.096,376 7.054,377 2.206,378 3.498,379 2.502,380 5.179,381 3.081,382 2.148,383 2.844,385 6.235,386 1.989,387 3.192,388 2.058,389 4.941,390 2.751,391 1.812,392 2.444,394 5.322,395 1.696,396 3.116,397 1.905,398 4.748,399 2.615,400 1.695,401 2.379,403 4.818,404 1.544,405 2.89,406 1.491,407 4.169,408 2.375,409 1.436,410 2.057,412 3.572,413 1.342,414 2.717,415 1.414,416 4.039,417 2.251,418 1.305,419 1.81,421 3.18,422 1.23,423 2.586,424 1.187,425 3.616,426 2.067,427 1.107,428 1.627,430 2.719,431 1.058,432 2.216,433 1.126,434 3.497,435 2.019,436 1.068,437 1.19,439 2.38,440 1.012,441 2.174,442 0.817,443 3.444,444 1.671,445 0.737,446 1.045,448 1.965,449 0.686,450 1.361,451 0.411,452 2.884,453 0.972,454 0.05,455 0.063,457 0.124,458 0.046,459 1.094,460 0.235,461 2.824,462 0.876,463 -0.067,464 -0.074,466 -0.169,467 -0.063,468 14.305,469 0.461,470 1.032,471 0.033,472 41.5,473 1.339,474 20.5,475 0.661,476 21,477 0.677,478 27.314,479 0.881,480 33.695,481 0.636,482 33.822,483 1.091,484 8.078,485 0.261,486 6.648,487 0.214,488 0.168,489 0.035,490 0.343,494 2,496 0.708,497 1.207,498 0.709,499 1.103,500 0.657,501 0.95,502 0.688,503 1.035,504 0.653,505 0.973,506 0.576,507 0.837,508 1.228,509 1.079,510 1.078,511 0.99,512 1.194,513 0.997,514 0.762,515 0.856,516 0.79,517 0.775,518 0.648,519 0.775,520 0.768,521 0.826,522 0.854,523 0.801,524 0.652,525 0.822,526 0.582,527 1.045,528 0.746,529 1.052,530 0.53,531 0.971,532 1.096,533 1.131,534 1.12,535 1.07,536 1.008,537 1.075,538 0.995,539 1.047,540 1.161,541 1.194,542 1.053,543 1.224,544 7.5,545 0.262,546 3.556,547 2.667,548 1.949,549 1.448,550 0.873,551 0.741,552 0.463,553 0.301,554 11619,555 35531,556 2.038,557 41.5,559 6,560 1,561 2,562 2,563 3,564 6,565 2,567 1.743,568 1.869,569 3.322,570 0.257,572 1,577 89.855,578 1.695,579 3.959,580 5.006,581 5.232,582 5.232,583 5.232,584 2.845,585 4.672,586 4.919,587 3.565,588 1657.88,589 8.634,590 22976,592 1,594 1,595 303.58,596 1.663,597 4.859,598 0.221,599 0.011,600 0.071,601 0.053,602 0.039,603 0.029,604 0.016,605 0.015,606 0.013,607 0.012,608 0.48,609 0.17,610 1,611 1.258,612 158.767,613 -0.071,614 -0.187,615 0.03,616 -0.059,617 -0.09,618 -0.003,619 0.042,620 -0.071,621 0.191,622 0.017,623 0.075,624 0.115,625 -0.189,626 -0.075,627 -0.152,628 -0.022,629 -0.175,630 -0.071,631 0.11,632 0.059,633 0.195,634 0.168,635 0.155,636 0.2,637 -0.039,638 0.079,639 0.054,640 0.145,641 -0.044,642 0.136,643 0.17,644 -0.072,645 0.128,646 -0.071,647 0.147,648 -0.013,649 -0.117,650 -0.065,651 -0.186,652 -0.127,653 -0.079,654 -0.156,655 0.021,656 -0.022,657 -0.169,658 -0.208,659 -0.02,660 -0.241,661 2.382,662 6.645,663 0.677,664 31.453,665 1.017,666 1.144,667 3.057,668 9.346,669 0.664,670 3.555,671 3.932,672 4.174,673 4.5,674 4.779,675 4.977,676 5.136,677 5.318,678 5.398,679 5.455,680 6.529,681 0.648,682 424.5,683 3.555,684 5.13,685 5.984,686 6.895,687 7.776,688 8.696,689 9.593,690 10.519,691 11.426,692 12.355,693 11.3,698 1,701 1,703 4,708 1,709 7,710 4,714 8,716 22,728 1,734 2,735 53,737 22,738 1,739 34,741 56,742 22,743 16,744 3,745 3,748 4,749 5,754 3,760 1,762 16,763 6,764 1,780 1,781 2,783 22,784 8,785 2,786 9,789 1,792 6,797 0.75,798 1,801 1,806 1,810 1,815 1,816 3,819 1,841 1,843 3,847 3,849 2,851 31,857 1,858 2,860 1,865 1,873 2,874 1.9,875 1,881 16.583,882 10.569,883 6.569,884 3.096,886 4.323,887 1.544,888 0.958,889 5.593,890 12.263,891 3.829,892 4.503,893 5.126,894 5.807,895 6.427,896 6.891,897 7.397,898 7.919,899 8.303,900 8.666,901 1,902 50,903 11.526,905 5.052,906 8.008,907 21.334,909 17.463,911 2.508,912 77.75,915 1,916 235.422,917 132.232,918 86.439,920 42.683,921 29.92,923 132.232,924 278.105,925 116.36,926 26.476,927 4.64,928 89.636,929 110.41,930 49.079,931 46.347,932 200.109,934 235.422,935 218.671,936 72.604,939 171.173,940 94.169,941 42.683,943 62.382,944 71.137,945 85.153,947 265.342,948 129.123,949 132.232,952 235.422,953 40.709,954 92.809,955 18.011,956 139.746,957 235.422,958 159.043,959 132.232,961 0.595,962 0.324,963 0.177,964 0.102,965 25,966 12,967 0.107,968 6,969 1,970 1.095,971 4.031,972 292.439,973 0.095,974 21,975 151.58,981 21.14,982 8.201,983 4.495,984 0.548,985 157.756,986 10.028,987 17.653,991 1.196,993 60.694,994 526.697,995 45,1007 53.916,1008 60.615,1009 0.296,1010 0.691,1011 0.874,1012 0.913,1013 0.913,1014 0.913,1015 5.091,1016 1.695,1017 6.023,1018 5.322,1019 4.615,1020 5.19,1021 0.278,1022 6.895,1023 4.5,1024 6.346,1025 1.436,1026 7.623,1027 4.818,1028 4.443,1029 5.156,1031 8.046,1032 4.263,1033 7.689,1034 1.305,1035 9.327,1036 3.572,1037 6.308,1038 7.483,1039 0.05,1040 11.091,1041 6.091,1042 9.067,1043 1.107,1044 11.092,1045 3.18,1046 6.899,1047 8.241,1049 13.026,1050 6.623,1051 10.475,1052 1.068,1053 12.895,1054 2.719,1055 8.311,1056 10.093,1057 0.008,1058 15.668,1059 7.997,1060 11.905,1061 0.737,1062 14.723,1063 2.38,1064 9.228,1065 11.243,1067 17.916,1068 8.86,1069 13.353,1070 0.05,1071 16.571,1072 1.965,1073 10.479,1074 12.9,1075 0.001,1076 20.438,1077 10.069,1078 3.365,1079 -0.067,1080 18.434,1081 0.124,1082 11.54,1083 14.25,1085 22.821,1086 11.079,1087 3.099,1088 12.286,1089 20.309,1090 -0.169,1091 12.736,1092 15.828,1094 25.311,1095 12.23,1096 2.86,1097 9.952,1098 22.193,1099 4.727,1100 13.861,1101 17.277,1103 27.755,1104 13.305,1105 2.702,1106 9.573,1107 24.085,1108 3.942,1109 15.042,1110 18.827,1112 30.242,1113 14.439,1114 2.38,1115 8.602,1116 25.984,1117 3.724,1118 16.198,1119 20.325,1121 32.715,1122 15.546,1123 2.148,1124 7.054,1125 27.89,1126 3.213,1127 17.378,1128 21.868,1130 35.206,1131 16.678,1132 1.812,1133 6.235,1134 29.8,1135 3.096,1136 18.55,1137 23.39,1139 37.694,1140 17.801,1141 11350,1142 20058,1143 22.076,1144 35.216,1145 52.4,1146 52.321,1147 53.427,1148 51.61,1149 51.528,1150 68.323,1151 0.8,1152 155.561,1153 48.46,1154 5.656,1155 5.41,1156 6.645,1157 5.389,1158 5.365,1159 7.727,1160 0.8,1161 19.882,1162 5.201,1163 18.297,1164 1.541,1165 1.539,1166 1.571,1167 1.518,1168 1.516,1169 2.009,1170 0.024,1171 4.575,1172 1.425,1173 4.161,1174 4.206,1175 4.145,1176 4.015,1177 8.211,1178 4.041,1179 3.865,1180 3.895,1181 3.833,1182 3.762,1183 8.191,1184 3.775,1185 3.826,1186 3.887,1187 3.767,1188 3.649,1189 6.449,1190 3.665,1191 3.715,1192 3.766,1193 3.6,1194 3.566,1195 5.121,1196 3.571,1197 3.35,1198 3.423,1199 3.272,1200 3.168,1201 4.941,1202 3.183,1203 3.255,1204 3.339,1205 3.098,1206 3.053,1207 4.558,1208 3.049,1209 3.158,1210 3.232,1211 3,1212 3.004,1213 4.329,1214 2.992,1215 2.904,1216 3.009,1217 2.868,1218 2.733,1219 4.162,1220 2.735,1221 0.14,1222 0.1,1223 0.208,1224 0.127,1225 0.099,1226 4.774,1227 0.139,1228 3.41,1229 0.012,1230 7.084,1231 0.361,1232 4.315,1233 0.094,1234 3.365,1235 4.727,1236 0.4,1237 12.286,1238 3.201,1239 1.923,1240 1.895,1241 1.993,1242 2.085,1243 1.243,1244 2.056,1245 1.864,1246 1.824,1247 1.969,1248 1.996,1249 1.113,1250 1.983,1251 1.765,1252 1.711,1253 1.945,1254 1.957,1255 1.026,1256 1.958,1257 1.69,1258 1.643,1259 1.813,1260 1.866,1261 0.842,1262 1.859,1263 1.343,1264 1.285,1265 1.61,1266 1.565,1267 0.768,1268 1.58,1269 1.25,1270 1.169,1271 1.538,1272 1.474,1273 0.591,1274 1.498,1275 1.103,1276 1.031,1277 1.417,1278 1.316,1279 0.469,1280 1.314,1281 0.934,1282 0.804,1283 1.269,1284 1.239,1285 0.354,1286 1.308,1287 4.234,1289 5.595,1290 2.398,1291 7.136,1292 4.844,1293 8.765,1294 7.081,1295 10.441,1297 5.259,1299 28.133,1302 9.892,1303 0.982,1305 3.093,1310 -0.815,1314 34.351,1315 89.855,1316 209.823,1317 265.315,1318 277.315,1319 277.315,1320 277.315,1321 72.511,1322 7.94,1323 88.23,1324 88.23,1325 23,1326 12.862,1327 4.524,1328 3.585,1329 49.105,1330 114,1331 136,1332 0.203,1333 210.113,1334 356.65,1335 504.435,1336 30559,1337 3.8,1338 22.173,1339 0.715,1340 0.561,1341 20.433,1342 17.395,1343 14.726,1344 0.433,1345 0.289,1346 9.644,1347 14.005,1348 9.347,1349 7.766,1350 13.922,1351 9.816,1352 14.518,1353 0.29,1354 0.158,1355 13.356,1356 7.894,1357 10.966,1358 0.171,1359 0.075,1360 10.173,1361 4.823,1362 9.549,1363 0.107,1364 0.037,1365 8.833,1366 3.273,1367 7.722,1368 0.065,1369 0.018,1370 7.352,1371 2.179,1372 0.312,1373 93.305,1374 0.213,1375 28.646,1376 0.58,1377 168,1378 602.93,1379 190.669,1380 535.116,1381 721.35,1382 498,1383 198,1384 533.824,1385 219.691,1386 527.87,1387 775.04,1388 496,1389 5.1}
{0 CHEMBL1978267,1 1.605,2 15.889,3 6.368,4 40.549,5 179.12,6 8.011,7 0.647,8 4.461,9 4.578,10 4.131,11 4.033,12 5.564,13 4.011,14 4.984,15 5.15,16 4.505,17 4.419,18 6.056,19 4.386,20 5.189,21 5.38,22 4.525,23 4.556,24 6.218,25 4.493,26 5.264,27 5.477,28 4.534,29 4.581,30 6.294,31 4.509,32 5.326,33 5.541,34 4.619,35 4.643,36 6.367,37 4.566,38 5.337,39 5.551,40 4.632,41 4.659,42 6.367,43 4.573,44 5.293,45 5.491,46 4.612,47 4.612,48 6.362,49 4.538,50 5.289,51 5.502,52 4.562,53 4.605,54 6.303,55 4.528,56 0.031,57 1.209,58 14.559,59 6.598,60 10.211,61 8.172,62 0.421,63 1.989,64 30.05,65 10.759,66 31.952,67 13.583,68 0.425,69 2.325,70 36.959,71 13.966,72 40.7,73 18.018,74 0.353,75 2.471,76 40.278,77 15.233,78 50.464,79 20.395,80 0.545,81 2.633,82 44.961,83 16.112,84 61.037,85 21.252,86 0.523,87 2.656,88 48.345,89 17.756,90 58.18,91 22.653,92 0.578,93 2.569,94 45.049,95 15.646,96 70.237,97 20.184,98 0.503,99 2.594,100 44.037,101 15.057,102 50.67,103 19.766,104 11,105 72,106 0.241,107 0.563,108 0.737,109 0.827,110 0.853,111 0.853,112 3.832,113 0.917,114 -4.21,115 -4.16,116 -3.93,119 44.2,124 2,125 4,142 13,143 2,144 4,145 1,146 2,150 1,151 2,152 1,158 1,162 1,172 11,174 2,175 9,178 3,180 4,183 11,187 2,188 9,191 1,193 5,196 5,199 1,200 14,203 1,205 5,208 3,212 2,213 12,216 2,218 1,221 9,224 4,225 8,228 2,230 1,233 11,237 2,238 9,241 2,243 5,246 8,249 2,250 11,255 1,258 7,263 4,264 9,267 1,268 1,272 10,276 4859,277 31.084,278 31.084,279 31.084,280 31.084,281 31.084,282 27.218,283 31.934,284 18.454,285 32.04,286 25.263,287 25.263,288 25.263,289 25.263,290 25.263,291 19.333,292 52.625,293 8.81,294 26.806,295 4.662,296 2.522,297 1.365,298 0.766,299 0.591,300 0.591,301 4.554,306 1,307 1594,308 3.808,311 218.382,312 691.104,314 177.708,319 2.519,320 31.605,323 0.75,324 0.5,325 0.83,326 0.5,327 0.5,328 0.83,329 1,330 0.7,331 96,332 715,333 4.74,334 3.581,335 7.022,336 4.273,337 3.331,338 4.681,339 1.058,340 12.067,341 3.155,342 4.347,343 3.333,344 6.45,345 3.98,346 3.017,347 3.978,348 0.86,349 9.959,350 2.907,351 4.195,352 3.143,353 6.17,354 3.852,355 2.904,356 3.777,357 0.8,358 9.189,359 2.759,360 4.111,361 3.115,362 6.013,363 3.743,364 2.742,365 3.659,366 0.8,367 8.525,368 2.732,369 4.036,370 2.819,371 5.966,372 3.581,373 2.666,374 3.637,375 0.4,376 8.308,377 2.452,378 3.831,379 2.542,380 5.799,381 3.423,382 2.489,383 3.26,385 8.1,386 2.319,387 3.631,388 2.484,389 5.495,390 3.313,391 2.366,392 2.896,394 7.249,395 2.216,396 3.397,397 2.286,398 5.061,399 2.981,400 2.056,401 2.682,403 6.016,404 1.895,405 3.303,406 2.202,407 4.93,408 2.909,409 1.949,410 2.558,412 5.394,413 1.869,414 3.035,415 2.096,416 4.547,417 2.67,418 1.736,419 2.201,421 4.397,422 1.631,423 2.964,424 2.007,425 4.443,426 2.632,427 1.66,428 2.115,430 4.188,431 1.586,432 2.896,433 1.55,434 4.357,435 2.387,436 1.429,437 2.061,439 4.107,440 1.364,441 2.859,442 1.458,443 4.158,444 2.33,445 1.421,446 1.973,448 3.647,449 1.283,450 2.657,451 1.4,452 3.693,453 2.212,454 1.26,455 1.717,457 2.813,458 1.194,459 2.619,460 1.323,461 3.549,462 2.111,463 1.16,464 1.675,466 2.708,467 1.098,468 21.7,469 0.482,470 0.986,471 0.022,472 64.5,473 1.433,474 33.5,475 0.744,476 31,477 0.689,478 39.983,479 0.889,480 46.1,481 0.599,482 56.853,483 1.263,484 12.732,485 0.283,486 9.298,487 0.207,488 0.061,490 0.332,496 0.873,497 1.366,498 0.722,499 0.994,500 0.662,501 0.893,502 1.109,503 1.049,504 0.877,505 0.888,506 0.687,507 0.833,508 1.085,509 1.077,510 0.923,511 0.936,512 0.927,513 0.965,514 0.931,515 1.111,516 0.813,517 0.933,518 1.018,519 0.965,520 1.021,521 0.956,522 0.87,523 0.862,524 1.187,525 0.898,526 0.948,527 0.959,528 0.972,529 0.964,530 1.026,531 0.915,532 1.121,533 1.162,534 1.019,535 1.048,536 1.48,537 1.005,538 1.073,539 1.08,540 1.025,541 0.962,542 0.93,543 0.972,544 7.5,545 0.375,546 4.444,547 3.132,548 2.255,549 1.511,550 1.129,551 0.778,552 0.732,553 0.48,554 38289,555 96532,556 2.186,557 41.6,559 27,560 2,561 1,562 2,567 1.831,568 2.093,569 3.913,570 0.115,577 123.569,578 1.605,579 3.745,580 4.902,581 5.5,582 5.676,583 5.676,584 3.374,585 5.27,586 5.46,587 4.099,588 4058.03,589 9.7,590 75725.9,595 482.543,596 1.231,597 5.444,598 0.147,599 0.006,600 0.062,601 0.042,602 0.03,603 0.019,604 0.014,605 0.01,606 0.01,607 0.007,608 0.348,609 0.33,610 0.75,611 0.505,612 262.232,613 -0.041,614 -0.239,615 0.075,616 -0.054,617 -0.057,618 -0.006,619 0.012,620 0.061,621 0.044,622 0.055,623 0.053,624 0.062,625 -0.069,626 -0.035,627 -0.05,628 -0.012,629 -0.023,630 -0.033,631 -0.025,632 -0.1,633 0.038,634 -0.027,635 0.038,636 -0.009,637 -0.021,638 0.071,639 0.057,640 0.076,641 -0.034,642 0.055,643 0.037,644 0.057,645 0.058,646 0.049,647 0.035,648 0.064,649 -0.014,650 -0.126,651 -0.025,652 -0.065,653 -0.102,654 -0.057,655 -0.108,656 -0.015,657 -0.069,658 -0.018,659 -0.103,660 -0.033,661 1.842,662 6.143,663 0.844,664 62.51,665 1.002,666 1.121,667 2.985,668 8.909,669 0.698,670 3.951,671 4.29,672 4.605,673 4.92,674 5.165,675 5.308,676 5.517,677 5.677,678 5.866,679 6.004,680 9.109,681 0.664,682 616.81,683 3.951,684 5.509,685 6.378,686 7.27,687 8.157,688 9.057,689 9.952,690 10.858,691 11.759,692 12.669,693 10.4,699 2,700 1,701 2,703 3,708 1,709 16,710 3,713 1,714 10,716 33,723 1,728 1,730 2,735 77,737 34,738 3,739 51,741 83,742 34,743 27,744 6,745 12,746 1,748 7,749 8,762 28,763 6,767 1,772 1,776 1,783 32,784 9,785 2,786 11,787 1,789 1,792 8,797 0.857,798 2,810 1,815 2,816 5,818 1,842 1,843 6,845 1,847 2,851 45,858 4,860 2,861 1,864 2,868 1,874 2.6,877 1,878 1,881 21.5,882 14.533,883 9.75,884 4.468,886 6.377,887 1.664,888 1.037,889 8.48,890 15.985,891 4.241,892 4.868,893 5.502,894 6.144,895 6.696,896 7.086,897 7.606,898 8.042,899 8.542,900 8.969,901 0.909,902 74,903 16.616,905 7.12,906 7.596,907 32.058,909 26.568,911 2.096,912 94.333,916 353.133,917 242.674,918 93.913,920 36.145,922 31.278,923 211.396,924 389.278,925 93.913,926 16.793,927 31.407,928 139.888,929 102.977,930 57.505,931 28.198,932 349.097,934 353.133,935 305.309,936 36.145,937 31.278,939 353.133,940 25.145,941 11,943 67.164,944 187.789,945 50.357,946 31.278,947 353.133,948 130.058,949 242.674,952 353.133,953 76.946,954 173.263,955 36.022,956 86.501,957 353.133,958 130.058,959 242.674,961 0.581,962 0.344,963 0.195,964 0.106,965 36,966 15,967 0.096,968 8,969 1,970 1.053,971 5.336,972 497.665,973 0.053,974 38,975 237.133,977 1,981 29.414,982 12.974,983 6.292,984 0.845,985 128.772,986 31.139,987 14.47,990 1.555,991 7.895,993 36.022,994 725.865,995 68.5,1000 13.143,1004 -0.175,1007 77.149,1008 86.308,1009 0.256,1010 0.598,1011 0.782,1012 0.878,1013 0.906,1014 0.906,1015 5.482,1016 2.056,1017 6.358,1018 7.249,1019 4.977,1020 5.557,1021 1.94,1022 7.188,1023 4.87,1024 6.689,1025 1.949,1026 7.921,1027 6.016,1028 4.511,1029 5.301,1030 0.57,1031 8.109,1032 4.359,1033 7.996,1034 1.736,1035 9.587,1036 5.394,1037 6.581,1038 7.777,1039 1.718,1040 11.252,1041 6.38,1042 9.342,1043 1.66,1044 11.315,1045 4.397,1046 6.976,1047 8.403,1048 0.479,1049 13.05,1050 6.728,1051 10.723,1052 1.429,1053 13.085,1054 4.188,1055 8.484,1056 10.314,1057 1.642,1058 15.703,1059 8.194,1060 12.13,1061 1.421,1062 14.884,1063 4.107,1064 9.279,1065 11.372,1066 0.346,1067 17.873,1068 8.939,1069 13.558,1070 1.26,1071 16.704,1072 3.647,1073 10.562,1074 13.045,1075 1.626,1076 20.376,1077 10.182,1078 3.331,1079 1.16,1080 18.54,1081 2.813,1082 11.549,1083 14.326,1084 0.237,1085 22.711,1086 11.116,1087 3.017,1088 12.067,1089 20.389,1090 2.708,1091 12.745,1092 15.899,1093 1.645,1094 25.177,1095 12.269,1096 2.904,1097 9.959,1098 22.249,1099 4.681,1100 13.823,1101 17.298,1102 0.158,1103 27.589,1104 13.293,1105 2.742,1106 9.189,1107 24.118,1108 3.978,1109 14.991,1110 18.833,1111 1.689,1112 30.053,1113 14.414,1114 2.666,1115 8.525,1116 25.995,1117 3.777,1118 16.115,1119 20.294,1120 0.104,1121 32.501,1122 15.484,1123 2.489,1124 8.308,1125 27.879,1126 3.659,1127 17.278,1128 21.819,1129 1.749,1130 34.971,1131 16.596,1132 2.366,1133 8.1,1134 29.77,1135 3.637,1136 18.427,1137 23.314,1138 0.068,1139 37.437,1140 17.689,1141 34897,1142 55672,1143 35.194,1144 53.739,1145 77.693,1146 78.156,1147 78.291,1148 76.789,1149 76.86,1150 102.281,1151 7.837,1152 222.35,1153 72.674,1154 5.74,1155 5.581,1156 6.824,1157 5.418,1158 5.331,1159 7.681,1160 2.117,1161 19.452,1162 5.155,1163 16.313,1164 1.523,1165 1.532,1166 1.535,1167 1.506,1168 1.507,1169 2.006,1170 0.154,1171 4.36,1172 1.425,1173 4.164,1174 4.199,1175 4.359,1176 4.07,1177 7.429,1178 4.061,1179 3.963,1180 4.003,1181 3.949,1182 3.872,1183 5.102,1184 3.868,1185 3.943,1186 3.976,1187 3.895,1188 3.851,1189 4.924,1190 3.855,1191 3.856,1192 3.889,1193 3.817,1194 3.793,1195 4.76,1196 3.783,1197 3.762,1198 3.816,1199 3.757,1200 3.614,1201 4.728,1202 3.617,1203 3.659,1204 3.704,1205 3.552,1206 3.475,1207 4.685,1208 3.484,1209 3.45,1210 3.536,1211 3.389,1212 3.258,1213 4.58,1214 3.253,1215 3.325,1216 3.36,1217 3.27,1218 3.111,1219 4.221,1220 3.139,1221 0.093,1222 0.07,1223 0.138,1224 0.084,1225 0.065,1226 4.74,1227 0.092,1228 3.581,1229 0.021,1230 7.022,1231 0.237,1232 4.273,1233 0.062,1234 3.331,1235 4.681,1236 1.058,1237 12.067,1238 3.155,1239 1.954,1240 1.927,1241 2.04,1242 2.071,1243 1.237,1244 2.061,1245 1.92,1246 1.886,1247 2.031,1248 2.048,1249 1.17,1250 2.044,1251 1.885,1252 1.86,1253 1.995,1254 1.981,1255 1.07,1256 1.983,1257 1.777,1258 1.734,1259 1.875,1260 1.946,1261 1.024,1262 1.933,1263 1.628,1264 1.574,1265 1.831,1266 1.835,1267 0.939,1268 1.837,1269 1.482,1270 1.428,1271 1.717,1272 1.701,1273 0.825,1274 1.705,1275 1.434,1276 1.375,1277 1.586,1278 1.681,1279 0.78,1280 1.661,1281 1.342,1282 1.313,1283 1.513,1284 1.498,1285 0.636,1286 1.477,1287 4.635,1289 5.969,1290 3.045,1291 7.496,1292 5.416,1293 9.111,1294 7.535,1295 10.774,1297 3.911,1303 3.186,1305 6.504,1306 5.516,1309 4.295,1314 51.109,1315 123.569,1316 288.379,1317 377.417,1318 423.523,1319 437.033,1320 437.033,1321 65.158,1322 9.609,1323 99.92,1324 128.16,1325 40,1326 13.186,1327 5.129,1328 4.209,1329 62.088,1330 239,1331 277,1332 0.121,1333 311.796,1334 526.69,1335 752.542,1336 276424,1338 30.752,1339 0.683,1340 0.573,1341 31.106,1342 25.791,1343 22.03,1344 0.432,1345 0.306,1346 14.557,1347 20.741,1348 14.127,1349 11.697,1350 22.484,1351 15.582,1352 19.903,1353 0.276,1354 0.163,1355 20.486,1356 11.724,1357 17.128,1358 0.173,1359 0.085,1360 17.753,1361 8.431,1362 15.077,1363 0.111,1364 0.045,1365 15.785,1366 6.185,1367 12.207,1368 0.07,1369 0.024,1370 12.822,1371 4.117,1372 0.191,1373 142.242,1374 0.169,1375 39.388,1376 0.328,1377 246,1378 676.868,1379 291.556,1380 681.912,1381 957.23,1382 644,1383 294,1384 712.081,1385 336.647,1386 738.425,1387 1088.67,1388 695,1389 6.6}
{0 CHEMBL1978448,1 1.747,2 8.13,3 2.09,4 4.37,5 86.96,6 8.286,7 0.423,8 3.824,9 3.921,10 3.659,11 3.412,12 4.849,13 3.375,14 4.378,15 4.528,16 3.912,17 3.771,18 5.677,19 3.725,20 4.599,21 4.779,22 3.965,23 3.915,24 5.73,25 3.846,26 4.671,27 4.841,28 3.941,29 3.958,30 5.86,31 3.88,32 4.711,33 4.941,34 3.705,35 3.875,36 5.819,37 3.745,38 4.501,39 4.73,40 3.548,41 3.678,42 5.548,43 3.546,44 4.358,45 4.612,46 3.494,47 3.475,48 5.313,49 3.34,50 4.159,51 4.371,52 3.531,53 3.386,54 5.358,55 3.3,56 0.097,57 0.644,58 9.976,59 3.956,60 15.854,61 4.489,62 0.389,63 1.034,64 18.121,65 6.638,66 48.913,67 7.916,68 0.481,69 1.214,70 24.573,71 8.366,72 60.2,73 9.541,74 0.396,75 1.251,76 25.971,77 9.514,78 63.558,79 10.816,80 0.538,81 1.204,82 28.939,83 10.089,84 80.836,85 12.341,86 0.358,87 1.002,88 22.602,89 8.117,90 53.113,91 10.372,92 0.351,93 0.888,94 20.251,95 6.632,96 36.296,97 8.924,98 0.403,99 0.755,100 17.769,101 5.352,102 35.915,103 6.193,104 18,105 40,106 0.307,107 0.644,108 0.802,109 0.853,110 0.853,111 0.853,112 3.19,113 1.081,114 -1.98,115 -2.03,116 -2.03,119 40,121 2,124 1,125 1,127 1,142 5,143 1,144 2,151 1,152 1,158 1,172 5,174 3,175 6,178 1,180 1,183 2,187 1,188 5,191 1,193 3,196 1,200 10,205 2,208 4,212 1,213 6,221 8,225 3,228 1,233 4,237 2,238 4,249 1,253 2,255 2,264 4,272 4,276 616,277 15.143,278 15.143,279 15.143,280 15.143,281 15.143,282 13.414,283 23.193,284 8.504,285 15.402,286 12.848,287 12.848,288 12.848,289 12.848,290 12.848,291 10.068,292 34.46,293 4.037,294 13.315,295 3.575,296 1.658,297 0.759,298 0.469,299 0.469,300 0.469,301 3.869,304 1,305 1,306 1,307 412,308 3.674,309 39.876,311 43.995,312 93.843,315 75.402,316 80.118,319 1.353,320 30.555,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 50.5,332 187,333 4.775,334 4.387,335 7.258,336 4.339,337 3.398,338 4.522,339 1.058,340 12.29,341 3.185,342 4.581,343 3.658,344 6.822,345 4.192,346 3.235,347 4.27,348 0.657,349 11.296,350 3.094,351 4.011,352 3.082,353 5.964,354 3.596,355 2.607,356 3.597,358 8.335,359 2.58,360 3.681,361 2.934,362 5.692,363 3.498,364 2.529,365 2.848,367 7.678,368 2.437,369 3.476,370 2.566,371 5.283,372 3.139,373 2.16,374 2.689,376 6.636,377 2.118,378 3.449,379 2.352,380 5.256,381 3.078,382 2.104,383 2.635,385 6.35,386 2.027,387 2.811,388 1.577,389 4.185,390 2.339,391 1.342,392 1.934,394 3.301,395 1.335,396 2.339,397 1.515,398 4.025,399 2.065,400 1.123,401 1.271,403 3.272,404 1.051,405 2.277,406 1.039,407 3.653,408 1.826,409 0.845,410 1.207,412 2.062,413 0.826,414 2.239,415 0.847,416 3.391,417 1.719,418 0.739,419 1.077,421 2.001,422 0.72,423 1.454,424 0.662,425 3,426 1.11,427 0.118,428 0.146,430 0.307,431 0.116,432 1,433 0.438,434 2.706,435 0.608,436 -0.373,437 -0.42,439 -0.982,440 -0.362,441 0.838,442 0.061,443 2.636,444 0.292,445 -0.681,446 -0.865,448 -1.945,449 -0.661,450 0.694,451 -0.433,452 2.459,453 0.203,454 -0.803,455 -0.931,457 -2.123,458 -0.765,459 0.476,460 -0.602,461 2.23,463 -1,464 -1,466 -3,467 -0.816,468 11.033,469 0.48,470 0.826,471 0.036,472 30.5,473 1.326,474 15,475 0.652,476 15.5,477 0.674,478 17.657,479 0.768,480 24.967,481 0.624,482 21.636,483 0.941,484 5.58,485 0.243,486 5.352,487 0.233,488 0.136,489 0.076,490 0.344,496 0.526,497 1.456,498 0.784,499 1.256,500 0.581,501 0.945,502 0.603,503 1.286,504 0.994,505 1.108,506 0.467,507 0.974,508 1.173,509 0.908,510 1.116,511 0.914,512 1.071,513 0.888,514 1.194,515 1.143,516 1.188,517 1.178,518 1.158,519 1.125,520 1.1,521 0.8,522 0.995,523 0.887,524 1.107,525 0.988,526 0.849,527 1.007,528 0.9,529 1.014,530 0.905,531 1.086,532 0.623,533 1.089,534 0.748,535 0.923,536 0.647,537 0.96,538 1.04,539 0.747,540 1.108,541 0.839,542 0.923,543 0.749,544 6,545 0.02,546 2.944,547 1.806,548 2.064,549 0.563,550 0.446,551 0.45,552 0.277,553 0.228,554 5496,555 16200,556 2.104,557 42.5,559 11,560 1,562 1,564 4,567 1.66,568 1.93,569 2.987,570 -0.241,571 1,572 1,574 1,577 69.88,578 1.747,579 3.663,580 4.563,581 4.853,582 4.853,583 4.853,584 2.442,585 3.969,586 4.501,587 3.195,588 808.275,589 7.759,590 8992.47,591 1,592 1,594 1,595 212.877,596 1.688,597 4.43,598 0.231,599 0.004,600 0.08,601 0.048,602 0.056,603 0.02,604 0.019,605 0.023,606 0.013,607 0.013,608 0.506,609 0.33,610 1,611 0.832,612 105.73,613 0.076,614 -0.248,615 0.231,616 -0.112,617 -0.101,618 0.015,619 0.235,620 -0.153,621 -0.031,622 -0.099,623 0.243,624 -0.047,625 -0.167,626 0.164,627 -0.108,628 0.088,629 -0.121,630 0.049,631 -0.191,632 -0.135,633 -0.213,634 -0.168,635 -0.108,636 -0.166,637 -0.134,638 0.098,639 -0.058,640 0.06,641 -0.091,642 0.015,643 -0.02,644 -0.104,645 0.003,646 -0.074,647 -0.068,648 -0.072,649 0.16,650 -0.157,651 0.217,652 0.009,653 0.023,654 0.05,655 0.047,656 0.325,657 0.074,658 0.216,659 0.065,660 0.202,661 4.139,662 4.982,663 0.696,664 15.618,665 1.014,666 1.124,667 0.753,668 0.566,669 0.684,670 3.296,671 3.714,672 3.951,673 4.263,674 4.477,675 4.533,676 4.691,677 4.898,678 4.977,679 4.956,680 5.223,681 0.652,682 331.43,683 3.296,684 4.89,685 5.771,686 6.698,687 7.597,688 8.521,689 9.427,690 10.349,691 11.257,692 12.178,693 7.5,696 1,700 1,701 1,709 6,714 4,715 1,716 11,723 1,735 40,737 14,738 1,739 26,741 43,742 16,743 10,744 3,745 3,746 1,748 4,749 7,757 3,760 3,762 11,763 5,767 3,770 1,772 3,776 1,779 1,780 1,783 17,784 5,785 1,786 7,787 1,792 3,797 0.5,798 3,811 1,813 1,815 1,816 2,819 1,820 1,843 2,845 1,847 1,851 23,855 1,858 3,860 1,863 1,864 1,874 7.5,877 3,881 11.917,882 7.4,883 4.722,884 2.339,886 2.377,887 1.328,888 1.031,889 3.288,890 9.613,891 3.57,892 4.23,893 4.688,894 5.279,895 5.756,896 6.091,897 6.496,898 6.938,899 7.235,900 7.402,901 1,902 38,903 8.723,905 4.087,906 7.96,907 16.363,909 14.476,911 2.46,912 56.583,916 188.338,917 92.762,918 21.428,920 69.458,922 5.807,923 86.954,924 257.796,925 21.428,926 7.19,927 25.186,928 62.236,929 74.163,930 12.117,931 14.528,932 176.567,934 188.338,935 108.383,936 69.458,937 5.807,939 141.253,940 116.542,943 28.603,944 79.779,945 5.807,947 188.338,948 90.886,949 92.762,951 5.807,952 188.338,953 23.335,954 67.037,955 18.011,956 69.458,957 188.338,958 90.886,959 92.762,961 0.61,962 0.334,963 0.183,964 0.098,965 23,966 10,967 0.093,968 4,969 2,970 1.25,971 3.471,972 196.924,973 0.25,974 16,975 100.042,980 1,981 14.79,982 5.114,983 2.771,985 88.987,986 11.069,991 3.097,992 1.833,993 18.011,994 371.986,995 34.5,998 -3.223,1000 35.921,1004 -0.133,1007 40.549,1008 44.95,1009 0.328,1010 0.688,1011 0.857,1012 0.912,1013 0.912,1014 0.912,1015 4.866,1016 1.123,1017 5.832,1018 3.301,1019 4.394,1020 4.916,1021 1.412,1022 6.746,1023 4.321,1024 6.14,1025 0.845,1026 7.467,1027 3.272,1028 4.369,1029 5.139,1031 8.021,1032 4.233,1033 7.52,1034 0.739,1035 9.21,1036 2.062,1037 6.159,1038 7.239,1039 1.356,1040 11.057,1041 5.992,1042 8.933,1043 0.118,1044 11.015,1045 2.001,1046 6.858,1047 8.212,1049 13.071,1050 6.616,1051 10.377,1052 -0.373,1053 12.859,1054 0.307,1055 8.24,1056 9.9,1057 1.379,1058 15.728,1059 7.959,1060 11.843,1061 -0.681,1062 14.73,1063 -0.982,1064 9.229,1065 11.171,1067 18.026,1068 8.875,1069 13.325,1070 -0.803,1071 16.619,1072 -1.945,1073 10.481,1074 12.725,1075 1.439,1076 20.566,1077 10.078,1078 3.398,1079 -1,1080 18.524,1081 -2.123,1082 11.594,1083 14.119,1085 22.978,1086 11.119,1087 3.235,1088 12.29,1089 20.44,1090 -3,1091 12.806,1092 15.628,1093 1.516,1094 25.481,1095 12.276,1096 2.607,1097 11.296,1098 22.365,1099 4.522,1100 13.97,1101 17.074,1103 27.938,1104 13.372,1105 2.529,1106 8.335,1107 24.298,1108 4.27,1109 15.172,1110 18.568,1111 1.602,1112 30.431,1113 14.515,1114 2.16,1115 7.678,1116 26.237,1117 3.597,1118 16.359,1119 20.038,1121 32.907,1122 15.637,1123 2.104,1124 6.636,1125 28.181,1126 2.848,1127 17.561,1128 21.529,1129 1.691,1130 35.398,1131 16.778,1132 1.342,1133 6.35,1134 30.13,1135 2.689,1136 18.758,1137 23.01,1139 37.883,1140 17.911,1141 5219,1142 9077,1143 17.107,1144 27.358,1145 40.991,1146 42.704,1147 41.52,1148 40.476,1149 40.399,1150 52.391,1151 3.431,1152 127.059,1153 38.978,1154 5.725,1155 6.387,1156 6.73,1157 5.409,1158 5.398,1159 7.522,1160 2.117,1161 19.848,1162 5.185,1163 11.746,1164 1.577,1165 1.642,1166 1.597,1167 1.557,1168 1.554,1169 2.015,1170 0.132,1171 4.887,1172 1.499,1173 4.122,1174 4.151,1175 4.725,1176 4.031,1177 7.716,1178 4.011,1179 4.02,1180 4.031,1181 4.059,1182 3.932,1183 7.429,1184 3.871,1185 3.726,1186 3.762,1187 3.716,1188 3.655,1189 6.999,1190 3.647,1191 3.72,1192 3.717,1193 3.641,1194 3.643,1195 4.864,1196 3.573,1197 3.293,1198 3.342,1199 3.226,1200 3.078,1201 4.556,1202 3.099,1203 3.027,1204 3.083,1205 2.918,1206 2.82,1207 4.284,1208 2.84,1209 2.848,1210 2.912,1211 2.719,1212 2.728,1213 3.924,1214 2.719,1215 2.681,1216 2.757,1217 2.419,1218 2.412,1219 3.664,1220 2.386,1221 0.184,1222 0.169,1223 0.279,1224 0.167,1225 0.131,1226 4.775,1227 0.174,1228 4.387,1229 0.041,1230 7.258,1231 0.473,1232 4.339,1233 0.122,1234 3.398,1235 4.522,1236 1.058,1237 12.29,1238 3.185,1239 1.968,1240 1.942,1241 2.041,1242 2.088,1243 1.247,1244 2.082,1245 1.739,1246 1.768,1247 1.691,1248 1.889,1249 1.06,1250 1.94,1251 1.531,1252 1.507,1253 1.661,1254 1.665,1255 0.825,1256 1.668,1257 1.431,1258 1.383,1259 1.564,1260 1.596,1261 0.774,1262 1.61,1263 1.174,1264 1.108,1265 1.513,1266 1.389,1267 0.717,1268 1.429,1269 1.153,1270 1.064,1271 1.437,1272 1.376,1273 0.666,1274 1.415,1275 0.994,1276 0.926,1277 1.269,1278 1.237,1279 0.473,1280 1.237,1281 0.796,1282 0.742,1283 1.074,1284 1.076,1285 0.138,1286 1.092,1287 3.97,1288 1.946,1289 5.361,1290 3.932,1291 6.938,1292 5.82,1293 8.604,1294 7.689,1295 10.318,1297 1.258,1303 2.215,1305 2.856,1308 0.128,1309 1.562,1314 26.083,1315 69.88,1316 146.538,1317 182.513,1318 194.122,1319 194.122,1320 194.122,1321 43.573,1322 7.236,1323 74.65,1324 83.03,1325 20,1326 12.688,1327 3.907,1328 3.248,1329 31.793,1330 74,1331 55,1332 0.22,1333 160.612,1334 276.16,1335 383.654,1336 12006,1338 16.19,1339 0.704,1340 0.587,1341 16.44,1342 13.507,1343 10.932,1344 0.42,1345 0.36,1346 7.576,1347 9.764,1348 7.235,1349 5.942,1350 11.826,1351 9.37,1352 11.12,1353 0.278,1354 0.201,1355 12.489,1356 8.044,1357 8.339,1358 0.164,1359 0.103,1360 9.072,1361 5.26,1362 7.313,1363 0.104,1364 0.058,1365 8.01,1366 4.064,1367 5.902,1368 0.068,1369 0.031,1370 6.456,1371 2.692,1372 0.335,1373 77.572,1374 0.242,1375 22.087,1376 0.63,1377 132,1378 393.69,1379 179.277,1380 398.388,1381 540.26,1382 366,1383 160,1384 378.12,1385 216.101,1386 413.704,1387 604.91,1388 387,1389 5.1}
{0 CHEMBL1978656,1 1.572,2 10.077,3 3.296,4 10.864,5 98.458,6 8.2,7 0.759,8 3.864,9 3.971,10 3.514,11 3.447,12 5.09,13 3.446,14 4.319,15 4.457,16 3.878,17 3.814,18 5.523,19 3.802,20 4.541,21 4.707,22 3.958,23 3.907,24 5.749,25 3.889,26 4.621,27 4.806,28 3.912,29 3.884,30 5.91,31 3.85,32 4.599,33 4.821,34 3.776,35 3.83,36 5.745,37 3.776,38 4.463,39 4.656,40 3.724,41 3.719,42 5.771,43 3.684,44 4.321,45 4.516,46 3.574,47 3.578,48 5.522,49 3.541,50 4.253,51 4.472,52 3.416,53 3.421,54 5.508,55 3.382,56 0.079,57 0.626,58 6.97,59 3.443,60 9.11,61 4.013,62 0.146,63 0.982,64 12.015,65 5.498,66 15.58,67 6.79,68 0.195,69 1.184,70 16.787,71 6.893,72 27.499,73 8.446,74 0.54,75 1.259,76 19.861,77 7.149,78 54.428,79 8.708,80 0.298,81 1.185,82 21.252,83 7.682,84 41.833,85 9.9,86 0.365,87 1.029,88 17.755,89 6.49,90 64.991,91 7.974,92 0.209,93 0.931,94 14.703,95 5.357,96 32.144,97 6.619,98 0.419,99 0.857,100 15.036,101 4.54,102 43.568,103 5.637,104 10,105 41,106 0.27,107 0.617,108 0.74,109 0.848,110 0.872,111 0.872,112 3.305,113 0.841,114 -4.32,115 -4.25,116 -4.01,119 47.6,120 1,142 9,143 3,144 2,145 2,152 1,158 1,161 1,166 1,172 9,174 1,175 7,178 1,180 5,183 10,187 1,188 4,193 4,196 8,199 3,200 7,203 3,204 1,205 2,208 7,213 7,221 5,225 12,228 1,230 3,233 3,238 9,243 2,246 1,250 5,253 3,255 2,258 4,264 1,269 1,272 8,276 962,277 17.759,278 17.759,279 17.759,280 17.759,281 17.759,282 14.973,283 8.785,284 10.427,285 17.968,286 14.288,287 14.288,288 14.288,289 14.288,290 14.288,291 10.2,292 10.379,293 4.899,294 14.652,295 3.82,296 1.794,297 1.078,298 0.447,299 0.304,300 0.304,301 4.002,304 1,305 1,306 1,307 572,308 2.828,311 52.55,312 220.332,315 99.245,319 1.698,320 24.973,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 56,332 262,333 4.68,334 3.621,335 6.869,336 4.209,337 3.247,338 4.633,339 1.058,340 11.453,341 3.124,342 4.331,343 3.153,344 6.37,345 3.943,346 2.967,347 3.987,349 9.593,350 2.892,351 4.121,352 3.071,353 6.249,354 3.746,355 2.752,356 3.69,358 9.193,359 2.732,360 3.674,361 2.55,362 5.498,363 3.239,364 2.259,365 3.092,367 6.851,368 2.204,369 3.309,370 2.179,371 5.034,372 2.889,373 1.926,374 2.597,376 5.624,377 1.847,378 3.117,379 1.877,380 4.635,381 2.648,382 1.659,383 2.344,385 4.454,386 1.634,387 3.046,388 1.549,389 4.078,390 2.49,391 1.546,392 2.308,394 3.655,395 1.456,396 2.866,397 1.526,398 3.951,399 2.414,400 1.414,401 2.029,403 3.187,404 1.414,405 2.707,406 1.358,407 3.824,408 2.212,409 1.216,410 1.786,412 2.916,413 1.207,414 2.521,415 1.098,416 3.528,417 2,418 1.02,419 1.504,421 2.591,422 1,423 2.5,424 1,425 3.259,426 1.98,427 1,428 1.5,430 2.136,431 0.974,432 2.062,433 0.946,434 3.247,435 1.561,436 0.601,437 0.849,439 1.526,440 0.575,441 1.528,442 0.666,443 2.854,444 1.257,445 0.283,446 0.334,448 0.642,449 0.273,450 1.104,451 0.248,452 2.463,453 0.71,454 -0.257,455 -0.333,457 -0.599,458 -0.246,459 1.006,460 -0.294,461 2.36,462 0.555,463 -0.419,464 -0.578,466 -1.011,467 -0.407,468 12.267,469 0.472,470 0.61,471 0.023,472 39.25,473 1.51,474 22.5,475 0.865,476 16.75,477 0.644,478 16.653,479 0.64,480 26.133,481 0.622,482 28.973,483 1.114,484 7.981,485 0.307,486 4.667,487 0.18,488 0.095,490 0.359,496 0.789,497 1.082,498 0.712,499 0.894,500 0.74,501 0.809,502 0.65,503 1.199,504 0.743,505 1.012,506 0.597,507 0.912,508 1.009,509 1.269,510 0.894,511 1.095,512 0.913,513 0.995,514 1.133,515 0.915,516 1.11,517 0.958,518 1.2,519 1.018,520 1.105,521 0.962,522 0.943,523 0.905,524 1.066,525 0.889,526 1.229,527 1.051,528 0.991,529 0.931,530 1.373,531 0.922,532 1.244,533 1.26,534 1.085,535 1.089,536 1.185,537 1.056,538 1.389,539 0.782,540 1.205,541 0.766,542 1.273,543 0.894,544 4,545 0.087,546 3.556,547 2.035,548 1.303,549 0.729,550 0.591,551 0.304,552 0.216,553 0.157,554 7962,555 22089,556 2.124,557 38.1,558 3,559 9,561 2,562 2,567 1.692,568 2,569 3.324,570 0.251,571 1,572 1,577 66.039,578 1.572,579 3.599,580 4.314,581 4.946,582 5.089,583 5.089,584 2.782,585 4.47,586 4.673,587 3.474,588 1128.92,589 8.1,590 13795.1,591 1,592 1,594 1,595 226.477,596 1.37,597 4.637,598 0.138,599 0.006,600 0.087,601 0.047,602 0.033,603 0.021,604 0.018,605 0.011,606 0.009,607 0.009,608 0.379,609 0.33,610 1,611 0.54,612 126.256,613 -0.035,614 0.002,615 0.029,616 0.038,617 -0.115,618 0.038,619 0.091,620 -0.131,621 0.06,622 -0.078,623 0.018,624 -0.031,625 -0.056,626 -0.237,628 -0.156,629 -0.019,630 -0.087,631 0.107,632 0.135,633 -0.143,634 -0.039,635 -0.005,636 -0.124,637 -0.107,638 0.01,639 0.079,640 0.072,641 -0.035,642 0.108,643 -0.028,644 -0.072,645 0.007,646 0.032,647 0.04,648 0.029,649 -0.18,650 -0.232,651 -0.119,652 -0.156,653 -0.108,654 -0.131,655 -0.063,656 0.294,657 -0.163,658 0.135,659 -0.047,660 0.011,661 1.994,662 5.714,663 0.808,664 22.308,665 1.009,666 1.117,667 3.087,668 9.53,669 0.702,670 3.401,671 3.738,672 4.06,673 4.331,674 4.533,675 4.595,676 4.736,677 4.875,678 4.913,679 4.99,680 6.043,681 0.683,682 344.4,683 3.401,684 4.949,685 5.82,686 6.708,687 7.595,688 8.49,689 9.384,690 10.283,691 11.18,692 12.082,693 9.5,700 1,701 1,703 2,708 1,709 11,710 2,714 6,716 22,723 1,732 1,735 42,737 23,738 2,739 29,741 45,742 20,743 18,744 4,745 8,746 1,748 4,749 5,754 1,762 19,763 1,767 1,772 1,776 1,779 1,780 1,783 16,784 5,785 2,786 6,792 4,797 0.75,798 2,807 1,810 1,815 1,816 3,819 1,843 3,847 1,851 26,857 1,860 1,874 4.8,876 1,877 1,881 13,882 7.883,883 5.694,884 2.38,886 4.225,887 1.56,888 1.005,889 4.152,890 11.776,891 3.738,892 4.398,893 5.059,894 5.691,895 6.23,896 6.542,897 6.994,898 7.453,899 7.721,900 8.102,901 0.857,902 43,903 9.576,905 4.139,906 7.84,907 17.963,909 14.69,911 2.34,912 60.833,915 1,916 164.795,917 133.696,918 52.623,920 67.828,923 133.696,924 232.624,925 52.623,926 8.825,927 18.011,928 85.286,929 131.239,930 31.572,931 2.757,932 141.253,934 164.795,935 186.32,936 67.828,939 164.795,940 67.828,943 47.81,944 105.061,945 33.449,947 164.795,948 120.452,949 133.696,952 164.795,953 21.49,954 113.37,955 18.011,956 101.277,957 164.795,958 120.452,959 133.696,961 0.584,962 0.357,963 0.195,964 0.102,965 21,966 9,967 0.067,968 3,969 1,970 1.095,971 3.772,972 226.367,973 0.095,974 21,975 118.211,981 16.308,982 6.619,983 2.97,984 0.474,985 119.288,986 19.816,987 8.662,991 3.489,993 60.694,994 418.943,995 41,1000 12.714,1004 -0.327,1007 42.363,1008 46.903,1009 0.292,1010 0.667,1011 0.8,1012 0.917,1013 0.944,1014 0.944,1015 4.959,1016 1.414,1017 5.808,1018 3.655,1019 4.419,1020 5.085,1021 1.176,1022 6.653,1023 4.367,1024 6.191,1025 1.216,1026 7.39,1027 3.187,1028 4.007,1029 4.902,1031 7.633,1032 3.928,1033 7.513,1034 1.02,1035 9.077,1036 2.916,1037 6.038,1038 7.37,1039 1.255,1040 10.776,1041 5.931,1042 8.877,1043 1,1044 10.828,1045 2.591,1046 6.494,1047 8.071,1049 12.605,1050 6.353,1051 10.276,1052 0.601,1053 12.619,1054 2.136,1055 7.976,1056 9.976,1057 1.338,1058 15.26,1059 7.808,1060 11.701,1061 0.283,1062 14.437,1063 1.526,1064 8.817,1065 11.096,1067 17.42,1068 8.612,1069 13.146,1070 -0.257,1071 16.274,1072 0.642,1073 10.088,1074 12.769,1075 1.422,1076 19.915,1077 9.854,1078 3.247,1079 -0.419,1080 18.125,1081 -0.599,1082 11.101,1083 14.094,1085 22.215,1086 10.827,1087 2.967,1088 11.453,1089 19.986,1090 -1.011,1091 12.291,1092 15.669,1093 1.51,1094 24.655,1095 11.984,1096 2.752,1097 9.593,1098 21.854,1099 4.633,1100 13.38,1101 17.094,1103 27.019,1104 13.033,1105 2.259,1106 9.193,1107 23.73,1108 3.987,1109 14.542,1110 18.63,1111 1.599,1112 29.444,1113 14.159,1114 1.926,1115 6.851,1116 25.61,1117 3.69,1118 15.665,1119 20.104,1121 31.839,1122 15.242,1123 1.659,1124 5.624,1125 27.495,1126 3.092,1127 16.819,1128 21.628,1129 1.69,1130 34.261,1131 16.358,1132 1.546,1133 4.454,1134 29.383,1135 2.597,1136 17.96,1137 23.126,1139 36.673,1140 17.458,1141 7543,1142 12701,1143 19.592,1144 29.5,1145 44.166,1146 45.111,1147 45.277,1148 43.803,1149 43.782,1150 61.307,1151 2.117,1152 127.642,1153 42.662,1154 5.52,1155 5.621,1156 6.671,1157 5.279,1158 5.247,1159 7.633,1160 2.117,1161 18.982,1162 5.124,1163 11.082,1164 1.523,1165 1.556,1166 1.561,1167 1.51,1168 1.51,1169 2.114,1170 0.073,1171 4.401,1172 1.471,1173 4.137,1174 4.184,1175 4.116,1176 3.988,1177 7.429,1178 4.011,1179 3.928,1180 3.954,1181 3.876,1182 3.85,1183 6.469,1184 3.852,1185 3.83,1186 3.864,1187 3.766,1188 3.74,1189 5.114,1190 3.747,1191 3.441,1192 3.474,1193 3.385,1194 3.303,1195 4.722,1196 3.313,1197 3.175,1198 3.258,1199 3.086,1200 3.027,1201 4.642,1202 3.005,1203 3.154,1204 3.221,1205 2.969,1206 2.891,1207 4.407,1208 2.929,1209 2.924,1210 2.978,1211 2.848,1212 2.773,1213 3.943,1214 2.779,1215 2.854,1216 2.925,1217 2.737,1218 2.735,1219 3.87,1220 2.715,1221 0.161,1222 0.125,1223 0.237,1224 0.145,1225 0.112,1226 4.68,1227 0.16,1228 3.621,1229 0.036,1230 6.869,1231 0.395,1232 4.209,1233 0.108,1234 3.247,1235 4.633,1236 1.058,1237 11.453,1238 3.124,1239 1.969,1240 1.938,1241 2.057,1242 2.098,1243 1.155,1244 2.08,1245 1.907,1246 1.884,1247 2.013,1248 2.013,1249 1.126,1250 2.013,1251 1.727,1252 1.69,1253 1.821,1254 1.867,1255 0.883,1256 1.863,1257 1.479,1258 1.446,1259 1.574,1260 1.676,1261 0.619,1262 1.644,1263 1.208,1264 1.129,1265 1.551,1266 1.418,1267 0.6,1268 1.469,1269 1.018,1270 0.954,1271 1.198,1272 1.329,1273 0.218,1274 1.292,1275 0.892,1276 0.832,1277 1.181,1278 1.135,1279 0.193,1280 1.12,1281 0.886,1282 0.821,1283 1.092,1284 1.062,1285 0.166,1286 1.107,1287 4.078,1289 5.407,1290 2.398,1291 6.944,1292 4.727,1293 8.573,1294 6.862,1295 10.248,1297 1.743,1302 9.798,1305 2.813,1314 28.676,1315 66.039,1316 151.139,1317 181.193,1318 207.722,1319 213.722,1320 213.722,1321 41.431,1322 7.55,1323 79.52,1324 79.52,1325 23,1326 12.603,1327 4.585,1328 3.7,1329 38.012,1330 94,1331 88,1332 0.2,1333 176.012,1334 294.06,1335 421.229,1336 19798,1338 18.096,1339 0.696,1340 0.54,1341 18.096,1342 14.048,1343 12.648,1344 0.436,1345 0.28,1346 8.032,1347 12.231,1348 7.838,1349 6.525,1350 12.648,1351 8.13,1352 11.302,1353 0.276,1354 0.144,1355 11.302,1356 5.894,1357 10.094,1358 0.177,1359 0.075,1360 10.094,1361 4.269,1362 8.425,1363 0.112,1364 0.038,1365 8.425,1366 2.828,1367 6.661,1368 0.072,1369 0.02,1370 6.661,1371 1.82,1372 0.31,1373 78.896,1374 0.226,1375 24.904,1376 0.559,1377 140,1378 413.153,1379 152.616,1380 406.7,1381 564.31,1382 380,1383 168,1384 428.903,1385 181.95,1386 434.57,1387 637.33,1388 410,1389 5.1}
{0 CHEMBL1979057,1 1.482,2 11.038,3 3.917,4 15.345,5 100.096,6 8.105,7 0.733,8 3.874,9 3.987,10 3.528,11 3.5,12 5.016,13 3.49,14 4.363,15 4.499,16 3.913,17 3.911,18 5.513,19 3.88,20 4.592,21 4.78,22 3.895,23 3.984,24 5.662,25 3.925,26 4.58,27 4.779,28 3.768,29 3.91,30 5.642,31 3.832,32 4.517,33 4.745,34 3.621,35 3.803,36 5.526,37 3.711,38 4.429,39 4.668,40 3.477,41 3.698,42 5.409,43 3.594,44 4.237,45 4.466,46 3.319,47 3.509,48 5.259,49 3.411,50 4.044,51 4.264,52 3.187,53 3.322,54 5.072,55 3.239,56 0.03,57 0.624,58 7.081,59 3.31,60 5.666,61 4.009,62 0.153,63 1.024,64 12.405,65 5.789,66 14.079,67 7.294,68 0.13,69 1.234,70 18.46,71 7.595,72 23.145,73 9.69,74 0.159,75 1.205,76 18.972,77 7.641,78 30.624,79 9.722,80 0.166,81 1.134,82 18.968,83 7.306,84 27.239,85 9.646,86 0.157,87 1.012,88 18.081,89 7.043,90 26.497,91 9.443,92 0.118,93 0.815,94 14.779,95 5.938,96 24.157,97 7.848,98 0.126,99 0.7,100 11.784,101 4.592,102 19.825,103 5.987,104 2,105 43,106 0.253,107 0.564,108 0.698,109 0.836,110 0.88,111 0.88,112 3.304,113 0.85,114 -4.64,115 -4.56,116 -4.29,119 50,125 1,142 11,143 4,144 1,146 1,152 1,158 1,162 1,172 14,175 2,178 3,179 1,180 5,183 16,188 4,193 6,196 14,200 5,205 9,208 9,213 4,218 7,221 6,225 3,230 5,233 6,238 3,243 3,246 8,250 2,254 1,255 3,258 6,264 2,267 1,269 2,272 4,276 848,277 18.102,278 18.102,279 18.102,280 18.102,281 18.102,282 15.46,283 17.232,284 10.589,285 18.308,286 14.847,287 14.847,288 14.847,289 14.847,290 14.847,291 10.792,292 27.874,293 5.045,294 15.191,295 3.91,296 2.086,297 1.305,298 0.494,299 0.238,300 0.238,301 4.022,304 1,305 1,306 1,307 657,308 2.345,311 109.817,312 214.678,315 210.376,319 1.808,320 17.088,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 55,332 287,333 4.543,334 3.65,335 6.792,336 4.198,337 3.199,338 4.403,339 1.081,340 11.163,341 3.194,342 4.462,343 3.059,344 6.248,345 3.943,346 2.994,347 4.224,348 0.473,349 9.498,350 2.845,351 4.069,352 3.011,353 6.044,354 3.695,355 2.699,356 3.629,357 0.4,358 8.583,359 2.687,360 3.758,361 2.659,362 5.491,363 3.401,364 2.429,365 3.121,367 7.351,368 2.358,369 3.408,370 2.297,371 5.04,372 2.946,373 1.984,374 2.763,376 5.776,377 1.902,378 3.147,379 1.962,380 4.839,381 2.701,382 1.705,383 2.368,385 5.132,386 1.688,387 3.032,388 1.728,389 4.414,390 2.533,391 1.544,392 2.298,394 4.312,395 1.525,396 2.922,397 1.532,398 4.163,399 2.495,400 1.532,401 2.083,403 3.703,404 1.474,405 2.832,406 1.41,407 4.031,408 2.345,409 1.358,410 1.98,412 3.225,413 1.338,414 2.641,415 1.327,416 3.603,417 2.173,418 1.18,419 1.652,421 2.942,422 1.166,423 2.5,424 1.086,425 3.414,426 2,427 1,428 1.5,430 2.275,431 1,432 1.961,433 1,434 3.311,435 1.722,436 0.746,437 0.874,439 1.771,440 0.725,441 1.847,442 0.434,443 3,444 1.295,445 0.347,446 0.521,448 0.86,449 0.328,450 1.361,451 0.347,452 2.929,453 1.02,454 0.064,455 0.08,457 0.169,458 0.061,459 0.983,460 0.148,461 2.502,462 0.582,463 -0.417,464 -0.539,466 -1.089,467 -0.411,468 12.433,469 0.478,470 0.568,471 0.022,472 39.25,473 1.51,474 22,475 0.846,476 17.25,477 0.663,478 16.175,479 0.622,480 25.367,481 0.604,482 26.842,483 1.032,484 7.863,485 0.302,486 4.913,487 0.189,488 0.027,490 0.362,496 0.843,497 1.06,498 0.714,499 0.817,500 0.611,501 0.751,502 0.549,503 1.003,504 0.817,505 0.981,506 0.546,507 0.944,508 1.031,509 1.097,510 0.998,511 1.037,512 0.922,513 1.013,514 1.168,515 1.156,516 1.129,517 1.118,518 1.145,519 1.121,520 1.018,521 1.017,522 1.076,523 1.02,524 0.834,525 1.041,526 0.931,527 0.906,528 1.012,529 0.964,530 0.82,531 0.988,532 1.017,533 0.99,534 0.985,535 1.022,536 1.134,537 1.011,538 1.081,539 1.046,540 1.042,541 1.034,542 1.188,543 1.04,544 4.5,545 0.121,546 2.889,547 2.049,548 0.893,549 0.747,550 0.487,551 0.174,552 0.17,553 0.12,554 9498,555 24113,556 2.241,557 38.1,559 13,562 3,567 1.684,568 2.167,569 3.424,570 0.898,572 1,577 62.239,578 1.482,579 3.306,580 4.087,581 4.898,582 5.154,583 5.154,584 2.903,585 3.719,586 4.675,587 3.612,588 1173.81,589 8.063,590 14843.8,592 1,594 1,595 226.477,596 1.142,597 4.66,598 0.15,599 0.006,600 0.067,601 0.05,602 0.026,603 0.025,604 0.019,605 0.008,606 0.009,607 0.007,608 0.366,609 0.33,610 0.88,611 0.362,612 128.323,613 -0.1,614 0.006,615 0.034,616 0.07,617 -0.087,618 0.073,619 0.236,620 0.04,621 -0.017,622 -0.075,623 0.066,624 -0.085,625 -0.104,626 -0.1,627 -0.073,628 -0.085,629 -0.05,630 -0.075,631 -0.153,632 -0.175,633 -0.169,634 -0.155,635 -0.112,636 -0.165,637 -0.113,638 -0.034,639 -0.073,640 -0.04,641 -0.038,642 -0.045,643 -0.066,644 0.039,645 0.02,646 0.047,647 0.008,648 0.049,649 -0.041,650 -0.076,651 0.048,653 -0.018,654 0.027,655 -0.028,656 -0.075,657 -0.028,658 -0.051,659 -0.119,660 -0.048,661 1.662,662 4.849,663 0.923,664 22.769,665 1.001,666 1.112,667 3.408,668 11.615,669 0.715,670 3.434,671 3.784,672 4.111,673 4.419,674 4.615,675 4.673,676 4.844,677 4.963,678 4.963,679 5.124,680 6.658,681 0.69,682 340.41,683 3.434,684 4.99,685 5.866,686 6.76,687 7.648,688 8.545,689 9.437,690 10.334,691 11.228,692 12.125,693 9.5,700 1,701 2,703 1,708 2,709 11,710 1,711 1,714 6,716 22,723 1,728 1,735 42,737 23,738 3,739 30,741 46,742 21,743 19,744 7,745 11,746 1,748 5,749 7,762 20,763 1,767 1,772 1,776 1,780 1,783 16,784 4,785 3,786 5,789 1,792 4,797 0.6,798 1,815 2,816 3,819 2,843 3,851 26,858 1,860 2,874 2.4,877 1,881 12,882 7.533,883 5.556,884 2.461,886 4.448,887 1.557,888 1.096,889 3.506,890 12.44,891 3.761,892 4.422,893 5.074,894 5.709,895 6.242,896 6.524,897 6.993,898 7.408,899 7.628,900 8.078,901 1,902 41,903 9.575,905 4.2,906 7.654,907 18.419,909 15.667,911 2.154,912 56,915 1,916 153.024,917 132.735,918 69.593,920 25.145,923 132.735,924 178.169,925 69.593,927 20.116,928 104.239,929 46.635,930 54.339,931 2.144,932 153.024,934 153.024,935 202.328,936 25.145,939 153.024,940 25.145,943 58.956,944 126.587,945 16.786,947 153.024,948 94.737,949 132.735,952 153.024,953 28.497,954 104.239,955 52.807,956 41.93,957 153.024,958 94.737,959 132.735,961 0.587,962 0.353,963 0.2,964 0.105,965 24,966 9,967 0.065,968 3,969 2,970 1.167,971 3.975,972 228.649,973 0.167,974 24,975 118.211,981 15.175,982 6.007,983 2.684,984 1.937,985 77.952,986 21.952,987 4.532,988 3.261,991 5.691,993 52.807,994 380.497,995 42,1000 11.849,1004 0.005,1007 42.036,1008 46.694,1009 0.275,1010 0.613,1011 0.758,1012 0.908,1013 0.956,1014 0.956,1015 4.994,1016 1.532,1017 5.849,1018 4.312,1019 4.466,1020 5.109,1021 1.412,1022 6.681,1023 4.422,1024 6.217,1025 1.358,1026 7.414,1027 3.703,1028 4.007,1029 4.902,1031 7.591,1032 3.952,1033 7.535,1034 1.18,1035 9.078,1036 3.225,1037 6.075,1038 7.373,1039 1.356,1040 10.72,1041 5.992,1042 8.892,1043 1,1044 10.803,1045 2.942,1046 6.479,1047 8.025,1049 12.496,1050 6.386,1051 10.281,1052 0.746,1053 12.567,1054 2.275,1055 7.983,1056 9.934,1057 1.44,1058 15.122,1059 7.87,1060 11.695,1061 0.347,1062 14.36,1063 1.771,1064 8.783,1065 10.997,1067 17.249,1068 8.663,1069 13.127,1070 0.064,1071 16.172,1072 0.86,1073 10.061,1074 12.662,1075 1.555,1076 19.712,1077 9.925,1078 3.199,1079 -0.417,1080 18,1081 0.169,1082 11.044,1083 13.93,1085 21.987,1086 10.902,1087 2.994,1088 11.163,1089 19.84,1090 -1.089,1091 12.23,1092 15.484,1093 1.679,1094 24.398,1095 12.078,1096 2.699,1097 9.498,1098 21.69,1099 4.403,1100 13.297,1101 16.851,1103 26.739,1104 13.14,1105 2.429,1106 8.583,1107 23.547,1108 4.224,1109 14.449,1110 18.355,1111 1.807,1112 29.136,1113 14.286,1114 1.984,1115 7.351,1116 25.411,1117 3.629,1118 15.554,1119 19.772,1121 31.508,1122 15.388,1123 1.705,1124 5.776,1125 27.281,1126 3.121,1127 16.696,1128 21.254,1129 1.939,1130 33.905,1131 16.526,1132 1.544,1133 5.132,1134 29.155,1135 2.763,1136 17.82,1137 22.696,1139 36.292,1140 17.648,1141 8543,1142 13734,1143 20.978,1144 30.046,1145 45.845,1146 46.634,1147 46.372,1148 45.493,1149 45.564,1150 62.991,1151 3.907,1152 133.518,1153 44.582,1154 5.384,1155 5.65,1156 6.475,1157 5.257,1158 5.199,1159 7.403,1160 2.162,1161 18.516,1162 5.194,1163 6.701,1164 1.528,1165 1.554,1166 1.546,1167 1.516,1168 1.519,1169 2.1,1170 0.13,1171 4.451,1172 1.486,1173 4.115,1174 4.158,1175 4.078,1176 4.019,1177 7.429,1178 4.024,1179 4.036,1180 4.062,1181 3.996,1182 3.95,1183 5.086,1184 3.96,1185 3.816,1186 3.848,1187 3.757,1188 3.737,1189 4.808,1190 3.737,1191 3.418,1192 3.479,1193 3.34,1194 3.231,1195 4.601,1196 3.253,1197 3.36,1198 3.421,1199 3.264,1200 3.179,1201 4.353,1202 3.192,1203 3.036,1204 3.081,1205 2.946,1206 2.925,1207 4.053,1208 2.925,1209 2.912,1210 2.978,1211 2.792,1212 2.777,1213 3.853,1214 2.77,1215 2.854,1216 2.925,1217 2.696,1218 2.735,1219 3.815,1220 2.715,1221 0.151,1222 0.122,1223 0.226,1224 0.14,1225 0.107,1226 4.543,1227 0.147,1228 3.65,1229 0.036,1230 6.792,1231 0.372,1232 4.198,1233 0.106,1234 3.199,1235 4.403,1236 1.081,1237 11.163,1238 3.194,1239 1.994,1240 1.975,1241 2.077,1242 2.057,1243 1.243,1244 2.064,1245 1.91,1246 1.881,1247 2.01,1248 2.006,1249 1.097,1250 2.01,1251 1.772,1252 1.744,1253 1.883,1254 1.876,1255 0.997,1256 1.877,1257 1.393,1258 1.328,1259 1.575,1260 1.669,1261 0.715,1262 1.636,1263 1.346,1264 1.276,1265 1.495,1266 1.633,1267 0.494,1268 1.607,1269 1.035,1270 1.001,1271 1.2,1272 1.215,1273 0.283,1274 1.214,1275 0.958,1276 0.902,1277 1.181,1278 1.16,1279 0.218,1280 1.161,1281 0.91,1282 0.86,1283 1.138,1284 1.083,1285 0.196,1286 1.107,1287 4.111,1289 5.451,1290 3.045,1291 6.986,1292 5.416,1293 8.606,1294 7.516,1295 10.271,1303 0.587,1305 6.186,1314 28.961,1315 62.239,1316 138.86,1317 171.669,1318 205.722,1319 216.477,1320 216.477,1321 30.386,1322 7.992,1323 69.81,1324 69.81,1325 28,1326 12.649,1327 4.585,1328 3.7,1329 34.19,1330 109,1331 82,1332 0.158,1333 174.215,1334 290.21,1335 416.844,1336 36062,1338 17.51,1339 0.673,1340 0.535,1341 17.51,1342 13.913,1343 12.776,1344 0.426,1345 0.283,1346 8.419,1347 12.458,1348 8.265,1349 6.824,1350 12.776,1351 8.501,1352 11.636,1353 0.271,1354 0.147,1355 11.636,1356 6.319,1357 10.363,1358 0.173,1359 0.078,1360 10.363,1361 4.694,1362 9.098,1363 0.111,1364 0.042,1365 9.098,1366 3.406,1367 7.321,1368 0.073,1369 0.022,1370 7.321,1371 2.233,1372 0.253,1373 78.912,1374 0.218,1375 25.344,1376 0.422,1377 146,1378 378.379,1379 156.263,1380 377.93,1381 535.4,1382 356,1383 176,1384 411.65,1385 186.181,1386 420.528,1387 620.57,1388 399,1389 5.8}
{0 CHEMBL1979093,1 1.705,2 13.2,3 4.163,4 17.331,5 112.132,6 8.295,7 0.667,8 4.021,9 4.128,10 3.667,11 3.551,12 5.277,13 3.565,14 4.487,15 4.623,16 4.034,17 3.921,18 5.739,19 3.923,20 4.687,21 4.837,22 4.113,23 4.037,24 5.957,25 4.029,26 4.797,27 4.98,28 4.056,29 4.031,30 6.025,31 4.004,32 4.772,33 4.974,34 3.933,35 3.957,36 5.986,37 3.91,38 4.703,39 4.928,40 3.776,41 3.824,42 5.852,43 3.772,44 4.497,45 4.707,46 3.626,47 3.663,48 5.793,49 3.611,50 4.397,51 4.627,52 3.515,53 3.614,54 5.468,55 3.532,56 0.168,57 0.783,58 8.236,59 4.157,60 13.436,61 4.689,62 0.36,63 1.2,64 15.221,65 7.114,66 29.381,67 8.31,68 0.514,69 1.47,70 19.317,71 8.22,72 44.802,73 9.435,74 0.589,75 1.555,76 24.282,77 9.514,78 60.723,79 11.162,80 0.636,81 1.392,82 24.587,83 8.676,84 61.589,85 10.952,86 0.577,87 1.278,88 24.569,89 8.176,90 65.525,91 10.403,92 0.64,93 1.073,94 19.404,95 6.469,96 84.398,97 8.076,98 0.376,99 0.975,100 17.836,101 6.988,102 34.955,103 9.252,104 27,105 47,106 0.284,107 0.641,108 0.747,109 0.837,110 0.863,111 0.869,112 3.44,113 0.83,114 -4.91,115 -4.81,116 -4.51,119 44.9,120 1,124 1,142 9,143 4,144 4,147 1,152 1,159 1,163 1,164 1,165 1,166 1,172 11,175 3,177 1,178 3,179 1,180 5,183 13,185 1,187 1,188 5,190 1,191 1,193 5,196 13,198 1,199 1,200 10,205 8,208 7,210 2,213 9,215 1,216 1,218 8,221 2,223 3,225 8,230 6,233 4,235 2,238 3,243 2,246 8,250 2,253 2,254 1,255 2,257 1,258 8,264 1,267 1,269 1,272 6,276 1356,277 20.179,278 20.179,279 20.179,280 20.179,281 20.179,282 17.34,283 21.901,284 11.62,285 20.559,286 16.187,287 16.187,288 16.187,289 16.187,290 16.187,291 11.89,292 28.768,293 5.409,294 16.719,295 3.91,296 1.767,297 1.134,298 0.592,299 0.439,300 0.398,301 4.134,305 1,306 1,307 858,308 3.317,311 70.942,312 298.2,315 133.699,319 2.053,320 34.786,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 66.5,332 396,333 4.719,334 3.564,335 6.969,336 4.269,337 3.282,338 4.696,339 1.656,340 11.808,341 3.241,342 4.226,343 3.34,344 6.074,345 3.819,346 2.85,347 3.875,348 0.86,349 8.724,350 2.756,351 4.105,352 3.152,353 5.958,354 3.701,355 2.72,356 3.718,357 0.247,358 8.383,359 2.668,360 3.828,361 2.793,362 5.588,363 3.483,364 2.516,365 3.212,367 7.483,368 2.424,369 3.683,370 2.581,371 5.491,372 3.267,373 2.32,374 3.069,376 6.975,377 2.192,378 3.562,379 2.403,380 5.243,381 3.173,382 2.213,383 2.903,385 6.549,386 2.117,387 3.263,388 2.32,389 4.651,390 2.814,391 1.818,392 2.488,394 4.95,395 1.795,396 2.955,397 1.782,398 4.454,399 2.472,400 1.475,401 2.148,403 4.151,404 1.469,405 2.82,406 1.625,407 4.371,408 2.392,409 1.414,410 1.948,412 3.805,413 1.374,414 2.744,415 1.531,416 4.04,417 2.304,418 1.362,419 1.837,421 3.521,422 1.277,423 2.5,424 1.106,425 3.651,426 2,427 1,428 1.5,430 2.275,431 1,432 2.361,433 1,434 3.414,435 1.903,436 0.934,437 1.305,439 2.241,440 0.9,441 1.718,442 0.855,443 3.061,444 1.401,445 0.492,446 0.583,448 0.916,449 0.443,450 1.534,451 0.784,452 2.935,453 1.205,454 0.289,455 0.341,457 0.648,458 0.259,459 1.304,460 0.572,461 2.576,462 0.963,463 0.008,464 0.01,466 0.019,467 0.008,468 13.886,469 0.463,470 0.801,471 0.027,472 43,473 1.433,474 23.5,475 0.783,476 19.5,477 0.65,478 21.18,479 0.706,480 31.714,481 0.647,482 34.28,483 1.143,484 8.919,485 0.297,486 5.538,487 0.185,488 0.145,490 0.396,494 1,496 0.723,497 0.981,498 0.7,499 0.925,500 0.643,501 0.821,502 0.728,503 0.945,504 0.684,505 0.93,506 0.568,507 0.837,508 0.962,509 1.136,510 0.964,511 1.069,512 0.955,513 1.023,514 1.156,515 1.18,516 1.077,517 1.141,518 1.119,519 1.101,520 0.929,521 0.865,522 1.071,523 1.025,524 0.921,525 1.07,526 1.058,527 0.912,528 1.069,529 0.963,530 1.015,531 0.996,532 0.98,533 0.774,534 1.129,535 0.902,536 0.914,537 1.013,538 0.599,539 0.841,540 0.852,541 0.999,542 0.636,543 1.007,544 6.5,545 0.151,546 3.778,547 2.313,548 1.835,549 1.212,550 0.614,551 0.317,552 0.302,553 0.259,554 12898,555 41053,556 2.067,557 38.8,558 3,559 12,562 4,567 1.723,568 1.915,569 3.627,570 1.631,572 1,577 83.548,578 1.705,579 3.848,580 4.481,581 5.022,582 5.176,583 5.217,584 3.077,585 4.19,586 4.879,587 3.832,588 1666.82,589 8.478,590 23934.1,592 1,594 1,595 275.121,596 1.475,597 4.828,598 0.197,599 0.007,600 0.08,601 0.047,602 0.041,603 0.031,604 0.019,605 0.011,606 0.012,607 0.011,608 0.455,610 1,611 0.758,612 156.548,613 -0.026,614 0.045,615 0.023,616 0.057,617 -0.092,618 0.061,619 0.071,620 0.029,621 0.134,622 0.069,623 0.068,624 0.097,625 -0.038,626 -0.091,627 -0.104,628 -0.09,629 -0.06,630 -0.105,631 -0.131,632 -0.13,633 -0.128,634 -0.15,635 -0.101,636 -0.14,637 -0.072,638 -0.037,639 -0.114,640 -0.08,641 -0.05,642 -0.104,643 -0.154,644 -0.062,645 -0.055,646 -0.015,647 -0.104,648 -0.004,649 -0.015,650 0.125,651 -0.139,652 0.042,653 0.06,654 -0.05,655 0.108,656 0.022,657 0.133,658 0.012,659 0.044,660 0.055,661 2.094,662 5.352,663 0.7,664 31.427,665 1.02,666 1.128,667 3.676,668 13.51,669 0.682,670 3.526,671 3.871,672 4.159,673 4.431,674 4.644,675 4.71,676 4.812,677 4.89,678 4.927,679 5.017,680 7.645,681 0.67,682 406.45,683 3.526,684 5.081,685 5.943,686 6.832,687 7.71,688 8.604,689 9.489,690 10.385,691 11.275,692 12.173,693 8.2,697 1,700 2,703 1,708 2,709 9,710 1,712 1,714 8,716 22,727 1,733 1,734 1,735 49,737 23,738 3,739 33,741 52,742 22,743 19,744 9,745 9,748 4,749 5,753 1,754 1,762 20,763 2,767 1,772 1,776 1,780 1,781 1,783 19,784 8,785 4,786 8,791 1,792 4,797 0.75,798 3,815 1,816 3,819 1,843 3,847 2,849 1,851 30,852 1,860 2,861 1,873 1,874 6.1,877 1,879 2,881 15.667,882 9.426,883 6.583,884 2.647,886 4.084,887 1.523,888 1.013,889 5.507,890 11.894,891 3.829,892 4.491,893 5.119,894 5.754,895 6.299,896 6.609,897 7.025,898 7.434,899 7.691,900 8.047,901 0.889,902 49,903 11.038,905 4.746,906 7.978,907 20.442,909 16.5,911 2.478,912 74.333,914 1,915 1,916 176.567,917 148.442,918 88.515,920 45.879,921 14.96,923 148.442,924 222.445,925 103.475,926 19.708,927 36.022,928 118.183,929 44.742,930 52.742,931 26.4,932 176.567,934 176.567,935 236.957,936 60.839,939 191.527,940 45.879,943 44.847,944 172.514,945 19.597,947 191.527,948 134.394,949 148.442,952 176.567,953 43.448,954 104.994,955 36.022,956 113.333,957 176.567,958 149.354,959 148.442,961 0.588,962 0.352,963 0.189,964 0.102,965 23,966 11,967 0.077,968 4,969 1,970 1.095,971 4.151,972 265.584,973 0.095,974 21,975 141.207,981 20.043,982 8.243,983 4.076,984 1.142,985 149.354,986 15.282,987 3.833,989 5.293,991 3.761,993 68.919,994 474.363,995 45,1000 12.221,1004 -0.427,1007 49.971,1008 55.283,1009 0.304,1010 0.685,1011 0.798,1012 0.895,1013 0.922,1014 0.929,1015 5.066,1016 1.475,1017 5.943,1018 4.95,1019 4.554,1020 5.179,1021 1.985,1022 6.774,1023 4.496,1024 6.303,1025 1.414,1026 7.518,1027 4.151,1028 4.205,1029 5.085,1030 1.195,1031 7.722,1032 4.119,1033 7.63,1034 1.362,1035 9.191,1036 3.805,1037 6.172,1038 7.462,1039 2.508,1040 10.832,1041 6.069,1042 8.994,1043 1,1044 10.92,1045 3.521,1046 6.621,1047 8.191,1048 2.324,1049 12.633,1050 6.494,1051 10.388,1052 0.934,1053 12.688,1054 2.275,1055 8.074,1056 10.055,1057 3.275,1058 15.287,1059 7.936,1060 11.805,1061 0.492,1062 14.483,1063 2.241,1064 8.893,1065 11.187,1066 3.407,1067 17.466,1068 8.737,1069 13.24,1070 0.289,1071 16.3,1072 0.916,1073 10.149,1074 12.845,1075 4.165,1076 19.979,1077 9.985,1078 3.282,1079 0.008,1080 18.135,1081 0.648,1082 11.146,1083 14.182,1084 4.464,1085 22.325,1086 10.969,1087 2.85,1088 11.808,1089 19.984,1090 0.019,1091 12.33,1092 15.757,1093 5.114,1094 24.798,1095 12.146,1096 2.72,1097 8.724,1098 21.846,1099 4.696,1100 13.413,1101 17.196,1102 5.504,1103 27.214,1104 13.219,1105 2.516,1106 8.383,1107 23.719,1108 3.875,1109 14.576,1110 18.742,1111 6.092,1112 29.679,1113 14.374,1114 2.32,1115 7.483,1116 25.601,1117 3.718,1118 15.702,1119 20.232,1120 6.531,1121 32.125,1122 15.491,1123 2.213,1124 6.975,1125 27.491,1126 3.212,1127 16.863,1128 21.769,1129 7.084,1130 34.589,1131 16.643,1132 1.818,1133 6.549,1134 29.389,1135 3.069,1136 18.012,1137 23.285,1138 7.551,1139 37.048,1140 17.784,1141 12273,1142 22037,1143 21.789,1144 33.415,1145 49.852,1146 51.26,1147 52.041,1148 49.343,1149 49.389,1150 67.268,1151 5.526,1152 144.893,1153 47.844,1154 5.586,1155 5.564,1156 6.51,1157 5.311,1158 5.282,1159 7.696,1160 2.912,1161 19.209,1162 5.241,1163 16.553,1164 1.511,1165 1.553,1166 1.577,1167 1.495,1168 1.497,1169 2.038,1170 0.167,1171 4.391,1172 1.45,1173 4.123,1174 4.135,1175 4.102,1176 4.033,1177 8.201,1178 4.044,1179 3.944,1180 3.975,1181 3.899,1182 3.857,1183 7.431,1184 3.861,1185 3.847,1186 3.874,1187 3.796,1188 3.75,1189 5.364,1190 3.758,1191 3.447,1192 3.492,1193 3.402,1194 3.179,1195 4.862,1196 3.225,1197 3.396,1198 3.446,1199 3.313,1200 3.162,1201 4.753,1202 3.193,1203 3.213,1204 3.28,1205 3.081,1206 3.016,1207 4.652,1208 3.013,1209 3.141,1210 3.222,1211 2.952,1212 2.937,1213 4.605,1214 2.942,1215 2.949,1216 3.013,1217 2.832,1218 2.771,1219 4.244,1220 2.769,1221 0.143,1222 0.108,1223 0.211,1224 0.129,1225 0.099,1226 4.719,1227 0.142,1228 3.564,1229 0.05,1230 6.969,1231 0.358,1232 4.269,1233 0.098,1234 3.282,1235 4.696,1236 1.656,1237 11.808,1238 3.241,1239 2.005,1240 1.991,1241 2.075,1242 2.076,1243 1.233,1244 2.075,1245 1.906,1246 1.879,1247 2.009,1248 2.013,1249 1.12,1250 2.011,1251 1.773,1252 1.752,1253 1.868,1254 1.89,1255 0.976,1256 1.882,1257 1.324,1258 1.279,1259 1.576,1260 1.645,1261 0.615,1262 1.598,1263 1.283,1264 1.226,1265 1.557,1266 1.586,1267 0.578,1268 1.553,1269 1.162,1270 1.09,1271 1.408,1272 1.472,1273 0.342,1274 1.479,1275 1.133,1276 1.051,1277 1.351,1278 1.386,1279 0.294,1280 1.412,1281 0.926,1282 0.902,1283 1.181,1284 1.203,1285 0.218,1286 1.156,1287 4.205,1289 5.541,1290 2.398,1291 7.071,1292 4.727,1293 8.69,1294 6.843,1295 10.358,1297 3.182,1299 13.352,1301 5.978,1305 5.423,1306 5.293,1314 32.828,1315 83.548,1316 188.552,1317 219.572,1318 246.101,1319 253.611,1320 255.611,1321 56.636,1322 7.81,1323 102.41,1324 102.41,1325 23,1326 12.698,1327 4.585,1328 3.7,1329 47.421,1330 143,1331 130,1332 0.166,1333 200.391,1334 343.52,1335 480.714,1336 28469,1337 2,1338 21.25,1339 0.708,1340 0.544,1341 20.38,1342 16.323,1343 14.457,1344 0.438,1345 0.277,1346 8.961,1347 13.773,1348 8.726,1349 7.275,1350 14.046,1351 9.125,1352 13.196,1353 0.281,1354 0.143,1355 12.701,1356 6.708,1357 11.277,1358 0.179,1359 0.075,1360 10.615,1361 4.702,1362 9.381,1363 0.113,1364 0.039,1365 9.282,1366 3.199,1367 7.485,1368 0.073,1369 0.02,1370 7.228,1371 2.078,1372 0.267,1373 91.767,1374 0.214,1375 28.726,1376 0.436,1377 160,1378 564.941,1379 179.544,1380 517.816,1381 701.4,1382 482,1383 190,1384 522.89,1385 209.288,1386 521.338,1387 758.11,1388 488,1389 6}
{0 CHEMBL1979176,1 1.892,2 10.962,3 3.024,4 9.142,5 87.006,6 9.291,7 0.607,8 3.81,9 3.912,10 3.532,11 3.295,12 5.121,13 3.348,14 4.317,15 4.45,16 3.973,17 3.632,18 6.118,19 3.685,20 4.445,21 4.599,22 3.932,23 3.735,24 5.824,25 3.77,26 4.529,27 4.71,28 3.895,29 3.675,30 5.974,31 3.703,32 4.504,33 4.719,34 3.816,35 3.545,36 6.001,37 3.569,38 4.315,39 4.517,40 3.606,41 3.384,42 5.717,43 3.415,44 4.17,45 4.334,46 3.612,47 3.325,48 5.979,49 3.351,50 4.098,51 4.298,52 3.414,53 3.337,54 5.422,55 3.317,56 0.258,57 0.806,58 4.617,59 3.255,60 31.587,61 3.12,62 0.999,63 1.538,64 11.181,65 5.349,66 141.071,67 5.217,68 0.656,69 1.341,70 12.434,71 5.835,72 65.675,73 5.897,74 0.901,75 1.392,76 16.005,77 6.775,78 105.24,79 6.964,80 0.997,81 1.189,82 18.641,83 5.791,84 104.484,85 7.083,86 0.793,87 0.92,88 15.543,89 5.123,90 102.636,91 5.706,92 0.906,93 0.865,94 11.545,95 4.167,96 132.939,97 4.509,98 0.593,99 0.876,100 11.384,101 4.654,102 67.153,103 5.323,104 30,105 40,106 0.334,107 0.676,108 0.794,109 0.882,110 0.891,111 0.891,112 3.304,113 0.794,114 -3.71,115 -3.68,116 -3.5,119 43.6,124 1,132 1,142 6,143 2,144 2,145 2,146 1,147 1,159 1,172 4,175 7,178 3,179 1,180 3,183 5,188 3,193 2,196 2,199 2,200 5,203 2,205 6,208 2,213 2,218 2,224 1,225 6,228 2,230 3,233 2,238 1,246 3,249 2,250 3,253 1,258 5,264 1,272 3,276 968,277 17.082,278 17.082,279 17.082,280 17.082,281 17.082,282 14.983,283 20.491,284 9.925,285 17.737,286 13.783,287 13.783,288 13.783,289 13.783,290 13.783,291 10.525,292 29.053,293 4.647,294 14.803,295 3.394,296 1.462,297 0.795,298 0.295,299 0.244,300 0.244,301 3.982,304 1,305 1,306 1,307 600,308 3.873,312 225.142,316 117.131,319 1.66,320 45.749,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 60.5,332 285,333 4.524,334 4.46,335 7.116,336 4.179,337 3.32,338 4.462,339 3.825,340 11.69,341 3,342 4.453,343 3.57,344 6.527,345 4.047,346 3.069,347 3.869,348 1.656,349 10.296,350 2.884,351 3.9,352 3.092,353 5.55,354 3.543,355 2.606,356 3.252,357 0.86,358 7.563,359 2.429,360 3.755,361 2.711,362 5.409,363 3.342,364 2.405,365 3.125,366 0.247,367 7.085,368 2.238,369 3.488,370 2.578,371 5.069,372 3.06,373 2.111,374 2.755,376 6.019,377 1.974,378 3.238,379 2.027,380 4.75,381 2.753,382 1.794,383 2.515,385 5.125,386 1.708,387 2.993,388 1.843,389 4.434,390 2.494,391 1.531,392 2.215,394 4.24,395 1.471,396 2.872,397 1.558,398 4.132,399 2.419,400 1.468,401 1.988,403 3.688,404 1.369,405 2.57,406 1.189,407 3.49,408 2.052,409 1.112,410 1.6,412 2.539,413 1.035,414 2.403,415 1.094,416 3.392,417 1.919,418 0.948,419 1.354,421 2.193,422 0.917,423 1.641,424 0.995,425 2.964,426 1.345,427 0.477,428 0.536,430 0.748,431 0.41,432 1.324,433 0.576,434 2.811,435 0.968,436 0.034,437 0.041,439 0.091,440 0.032,441 1.177,442 0.51,443 2.721,444 0.734,445 -0.259,446 -0.352,448 -0.643,449 -0.254,450 0.905,451 0.51,452 2.438,453 0.447,454 -0.5,455 -0.674,457 -1.062,458 -0.468,459 0.748,460 0.234,461 2.274,462 0.268,463 -0.717,464 -0.957,466 -1.964,467 -0.689,468 11.624,469 0.447,470 0.808,471 0.031,472 36.5,473 1.404,474 19,475 0.731,476 17.5,477 0.673,478 16.893,479 0.65,480 28.576,481 0.733,482 29.696,483 1.142,484 7.667,485 0.295,486 4.696,487 0.181,488 0.145,489 0.043,490 0.301,493 3,496 0.667,497 1.032,498 0.594,499 1.053,500 0.609,501 0.869,502 0.55,503 0.72,504 0.663,505 0.862,506 0.412,507 0.849,508 0.843,509 0.988,510 0.904,511 1.047,512 0.684,513 1.013,514 1.014,515 1.112,516 1.088,517 1.183,518 1.019,519 1.182,520 0.796,521 0.682,522 0.936,523 0.925,524 0.892,525 0.979,526 0.973,527 0.782,528 0.982,529 0.876,530 1.022,531 0.908,532 0.644,533 0.643,534 0.943,535 0.843,536 0.628,537 0.996,538 0.693,539 0.797,540 0.953,541 0.901,542 0.716,543 1.01,544 7,545 0.186,546 2.889,547 2,548 1.507,549 0.938,550 0.587,551 0.293,552 0.222,553 0.237,554 7868,555 32003,556 2.005,557 33.3,559 9,561 2,562 2,567 1.689,568 1.846,569 3.413,570 0.365,571 1,572 1,577 73.783,578 1.892,579 3.823,580 4.49,581 4.99,582 5.042,583 5.042,584 2.888,585 3.719,586 4.675,587 3.587,588 1165.68,589 8.087,590 14742.6,591 1,592 1,593 1,594 1,595 206.131,596 1.648,597 4.606,598 0.25,599 0.009,600 0.072,601 0.05,602 0.042,603 0.029,604 0.022,605 0.011,606 0.01,607 0.01,608 0.506,609 0.5,610 1,611 0.923,612 128.068,613 -0.082,614 -0.125,615 0.009,616 -0.065,617 -0.108,618 0.002,619 0.342,620 0.3,621 0.125,622 0.115,623 0.406,624 0.027,625 -0.154,626 -0.166,627 -0.117,628 -0.106,629 -0.052,630 -0.089,631 -0.114,632 -0.151,633 -0.164,634 -0.218,635 -0.117,636 -0.223,637 0.075,638 0.136,639 0.089,640 -0.013,641 0.007,642 0.02,643 -0.109,644 -0.04,645 0.031,646 0.045,647 -0.118,648 0.096,649 0.285,650 0.201,651 -0.022,652 0.087,653 0.343,654 -0.073,655 0.049,656 0.06,657 -0.02,658 0.085,659 -0.024,660 0.031,661 5.768,662 5.121,663 0.615,664 21.633,665 1.049,666 1.152,667 2.485,668 6.173,669 0.675,670 3.367,671 3.714,672 3.912,673 4.143,674 4.369,675 4.382,676 4.466,677 4.443,678 4.511,679 4.454,680 6.507,681 0.688,682 362.34,683 3.367,684 4.92,685 5.753,686 6.637,687 7.489,688 8.374,689 9.233,690 10.115,691 10.979,692 11.86,693 10.3,700 2,703 2,708 2,709 8,710 2,714 4,716 17,733 1,735 39,737 18,738 1,739 28,741 41,742 17,743 14,744 3,745 3,748 3,749 4,753 1,754 1,759 1,762 15,763 2,767 1,772 1,776 1,779 1,780 1,781 3,783 13,784 9,785 2,786 9,792 4,797 0.667,798 2,809 2,816 3,820 1,843 2,847 1,849 3,851 26,860 2,861 1,865 1,873 3,874 5.1,877 1,879 1,881 14.083,882 7.329,883 5.639,884 2.028,886 3.355,887 1.467,888 0.99,889 4.962,890 10.544,891 3.651,892 4.277,893 4.838,894 5.44,895 6.014,896 6.246,897 6.576,898 6.854,899 7.149,900 7.069,901 1,902 40,903 10.038,905 4.745,906 8.439,907 17.073,909 13.479,911 2.939,912 76.417,916 129.482,917 116.101,918 69.593,920 36.145,921 44.88,923 116.101,924 165.627,925 114.473,926 10.883,927 36.022,928 56.857,929 82.258,930 89.878,931 6.604,932 105.94,933 7.76,934 129.482,935 185.694,936 81.025,939 129.482,940 81.025,943 64.02,944 88.103,945 33.571,947 174.362,948 105.737,949 116.101,952 137.242,953 22.507,954 85.835,955 36.022,956 114.596,957 129.482,958 150.618,959 116.101,961 0.589,962 0.33,963 0.171,964 0.097,965 19,966 9,967 0.073,968 3,969 1,970 1.125,971 3.728,972 212.585,973 0.125,974 16,975 117.457,981 17.962,982 7.183,983 4.235,984 1.25,985 150.618,986 10.774,987 7.91,991 -0.052,993 36.022,994 396.201,995 37.5,1000 12.121,1004 -0.722,1007 40.902,1008 44.922,1009 0.358,1010 0.723,1011 0.85,1012 0.944,1013 0.954,1014 0.954,1015 4.892,1016 1.468,1017 5.784,1018 4.24,1019 4.394,1020 4.963,1021 3.3,1022 6.621,1023 4.264,1024 6.132,1025 1.112,1026 7.37,1027 3.688,1028 4.205,1029 4.879,1030 3.949,1031 7.781,1032 3.915,1033 7.462,1034 0.948,1035 9.066,1036 2.539,1037 6.071,1038 7.207,1039 5.469,1040 10.768,1041 5.794,1042 8.827,1043 0.477,1044 10.83,1045 2.193,1046 6.648,1047 7.882,1048 6.701,1049 12.72,1050 6.198,1051 10.22,1052 0.034,1053 12.638,1054 0.748,1055 8.064,1056 9.745,1057 8.066,1058 15.315,1059 7.608,1060 11.633,1061 -0.259,1062 14.478,1063 0.091,1064 8.976,1065 10.804,1066 9.391,1067 17.567,1068 8.366,1069 13.063,1070 -0.5,1071 16.34,1072 -0.643,1073 10.229,1074 12.46,1075 10.736,1076 20.047,1077 9.581,1078 3.32,1079 -0.717,1080 18.221,1081 -1.062,1082 11.29,1083 13.724,1084 12.075,1085 22.414,1086 10.509,1087 3.069,1088 11.69,1089 20.115,1090 -1.964,1091 12.486,1092 15.283,1093 13.417,1094 24.861,1095 11.642,1096 2.606,1097 10.296,1098 22.021,1099 4.462,1100 13.612,1101 16.655,1102 14.758,1103 27.272,1104 12.651,1105 2.405,1106 7.563,1107 23.935,1108 3.869,1109 14.791,1110 18.17,1111 16.1,1112 29.712,1113 13.75,1114 2.111,1115 7.085,1116 25.857,1117 3.252,1118 15.946,1119 19.598,1120 17.441,1121 32.141,1122 14.798,1123 1.794,1124 6.019,1125 27.784,1126 3.125,1127 17.123,1128 21.094,1129 18.783,1130 34.582,1131 15.885,1132 1.531,1133 5.125,1134 29.716,1135 2.755,1136 18.292,1137 22.552,1138 20.124,1139 37.021,1140 16.951,1141 7745,1142 15815,1143 18.087,1144 26.313,1145 42.211,1146 42.496,1147 42.813,1148 41.871,1149 41.75,1150 55.426,1151 13.177,1152 122.557,1153 38.931,1154 5.396,1155 6.46,1156 6.667,1157 5.234,1158 5.32,1159 7.462,1160 5.335,1161 18.67,1162 5,1163 14.792,1164 1.508,1165 1.518,1166 1.529,1167 1.495,1168 1.491,1169 1.979,1170 0.471,1171 4.377,1172 1.39,1173 4.076,1174 4.103,1175 4.042,1176 3.995,1177 8.513,1178 4.002,1179 3.913,1180 3.951,1181 3.884,1182 3.784,1183 7.999,1184 3.8,1185 3.563,1186 3.599,1187 3.512,1188 3.392,1189 7.999,1190 3.407,1191 3.41,1192 3.455,1193 3.374,1194 3.116,1195 7.431,1196 3.175,1197 3.234,1198 3.29,1199 3.225,1200 2.93,1201 5.022,1202 2.948,1203 3.172,1204 3.248,1205 2.985,1206 2.869,1207 4.863,1208 2.925,1209 2.967,1210 3.034,1211 2.856,1212 2.805,1213 4.652,1214 2.807,1215 2.804,1216 2.865,1217 2.677,1218 2.641,1219 4.167,1220 2.647,1221 0.162,1222 0.159,1223 0.254,1224 0.149,1225 0.119,1226 4.524,1227 0.159,1228 4.46,1229 0.137,1230 7.116,1231 0.417,1232 4.179,1233 0.107,1234 3.32,1235 4.462,1236 3.825,1237 11.69,1238 3,1239 2.028,1240 2.006,1241 2.093,1242 2.126,1243 1.215,1244 2.117,1245 1.843,1246 1.81,1247 1.925,1248 1.997,1249 0.99,1250 1.975,1251 1.489,1252 1.455,1253 1.655,1254 1.705,1255 0.677,1256 1.681,1257 1.249,1258 1.202,1259 1.521,1260 1.572,1261 0.548,1262 1.529,1263 1.152,1264 1.072,1265 1.375,1266 1.42,1267 0.31,1268 1.444,1269 0.983,1270 0.932,1271 1.169,1272 1.373,1273 0.222,1274 1.267,1275 0.94,1276 0.881,1277 1.11,1278 1.142,1279 0.108,1280 1.152,1281 0.778,1282 0.724,1283 0.979,1284 0.998,1285 0.01,1286 1.019,1287 4.043,1289 5.38,1291 6.907,1293 8.519,1295 10.176,1297 1.527,1299 38.146,1305 4.861,1306 5.121,1310 -4.518,1314 26.826,1315 73.783,1316 149.111,1317 175.111,1318 194.621,1319 196.621,1320 196.621,1321 57.526,1322 7.189,1323 76.14,1324 76.14,1325 18,1326 12.398,1327 4.248,1328 3.392,1329 44.481,1330 103,1331 100,1332 0.213,1333 164.078,1334 288.91,1335 392.11,1336 12933,1337 7.7,1338 18.734,1339 0.721,1340 0.518,1341 16.234,1342 13.464,1343 12.364,1344 0.442,1345 0.265,1346 7.209,1347 11.575,1348 7.11,1349 5.871,1350 11.152,1351 7.406,1352 11.874,1353 0.297,1354 0.131,1355 9.917,1356 5.248,1357 8.931,1358 0.182,1359 0.072,1360 7.968,1361 3.527,1362 7.331,1363 0.118,1364 0.037,1365 6.813,1366 2.309,1367 5.994,1368 0.077,1369 0.019,1370 5.354,1371 1.496,1372 0.337,1373 79.849,1374 0.235,1375 25.188,1376 0.576,1377 136,1378 651.76,1379 165.881,1380 542.433,1381 703.18,1382 502,1383 157,1384 488.618,1385 179.122,1386 474.482,1387 707.54,1388 443,1389 5.1}
{0 CHEMBL1979252,1 1.858,2 10.32,3 1.64,4 2.69,5 87.647,6 9.387,7 0.444,8 3.751,9 3.85,10 3.48,11 3.292,12 5.064,13 3.33,14 4.242,15 4.371,16 3.895,17 3.595,18 6.06,19 3.638,20 4.402,21 4.569,22 3.842,23 3.663,24 5.901,25 3.668,26 4.477,27 4.687,28 3.718,29 3.591,30 5.859,31 3.589,32 4.363,33 4.549,34 3.717,35 3.526,36 5.781,37 3.556,38 4.348,39 4.528,40 3.672,41 3.453,42 5.912,43 3.496,44 4.195,45 4.35,46 3.557,47 3.35,48 5.741,49 3.393,50 4.09,51 4.259,52 3.495,53 3.223,54 5.606,55 3.273,56 0.232,57 0.772,58 4.093,59 3.196,60 39.627,61 2.997,62 0.862,63 1.489,64 9.15,65 5.084,66 147.643,67 4.808,68 0.651,69 1.24,70 12.231,71 6.245,72 88.479,73 7.008,74 0.929,75 1.297,76 17.954,77 6.857,78 136.943,79 7.347,80 0.767,81 1.166,82 15.019,83 6.086,84 131.995,85 6.222,86 0.989,87 1.085,88 15.431,89 5.498,90 145.264,91 4.959,92 0.708,93 0.877,94 11.533,95 4.78,96 114.837,97 4.25,98 0.586,99 0.877,100 11.105,101 4.609,102 104.824,103 4.652,104 27,105 39,106 0.333,107 0.651,108 0.767,109 0.842,110 0.861,111 0.861,112 3.267,113 0.807,114 -2.86,115 -2.87,116 -2.78,119 45.9,125 1,132 1,138 2,142 6,143 2,144 1,145 2,156 2,172 6,175 2,180 3,183 7,187 1,191 2,192 1,193 2,196 3,203 3,205 2,213 3,218 4,225 5,230 2,237 1,238 4,241 1,243 2,246 2,249 1,250 3,255 1,258 4,264 2,272 4,276 933,277 16.317,278 16.317,279 16.317,280 16.317,281 16.317,282 14.45,283 20.099,284 9.494,285 16.696,286 13.309,287 13.309,288 13.309,289 13.309,290 13.309,291 10.365,292 31.28,293 4.515,294 13.966,295 3.352,296 1.575,297 0.926,298 0.507,299 0.399,300 0.399,301 3.94,304 1,305 1,306 1,307 544,308 3.536,310 65.092,312 176.652,319 1.613,320 49.869,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 58,332 258,333 4.651,334 4.46,335 7.116,336 4.305,337 3.321,338 4.157,339 3.825,340 11.69,341 3.322,342 4.451,343 3.967,344 6.95,345 4.18,346 3.296,347 3.863,348 0.657,349 11.621,350 2.902,351 3.881,352 2.855,353 5.414,354 3.468,355 2.5,356 3.428,357 0.4,358 7.145,359 2.417,360 3.784,361 2.788,362 5.386,363 3.437,364 2.467,365 3.084,367 7.072,368 2.349,369 3.097,370 2.668,371 4.934,372 2.669,373 1.705,374 2.197,376 4.891,377 1.629,378 2.984,379 2.269,380 4.822,381 2.581,382 1.608,383 2.11,385 4.5,386 1.558,387 2.886,388 1.929,389 4.503,390 2.459,391 1.479,392 1.963,394 4.365,395 1.419,396 2.767,397 1.583,398 3.604,399 2.259,400 1.279,401 1.737,403 2.971,404 1.241,405 2.571,406 1.27,407 3.502,408 2.095,409 1.116,410 1.601,412 2.557,413 1.08,414 2.5,415 1.152,416 3.265,417 1.984,418 1,419 1.5,421 2.136,422 0.983,423 1.987,424 1,425 3.247,426 1.617,427 0.616,428 0.773,430 1.479,431 0.609,432 1.4,433 0.538,434 2.847,435 1.042,436 0.047,437 0.06,439 0.117,440 0.046,441 0.913,442 0.51,443 2.723,444 0.528,445 -0.456,446 -0.589,448 -1.106,449 -0.447,450 0.705,451 0.51,452 2.343,453 0.3,454 -0.69,455 -0.913,457 -1.638,458 -0.678,459 0.599,460 -0.083,461 2,462 0.169,463 -0.823,464 -1,466 -2.339,467 -0.7,468 11.224,469 0.449,470 0.813,471 0.033,472 33.25,473 1.33,474 17,475 0.68,476 16.25,477 0.65,478 16.6,479 0.664,480 27.176,481 0.734,482 26.915,483 1.077,484 7.05,485 0.282,486 4.809,487 0.192,488 0.136,489 0.045,490 0.312,493 3,496 0.597,497 0.93,498 0.582,499 0.944,500 0.586,501 0.819,502 0.516,503 0.822,504 0.699,505 1.029,506 0.464,507 0.988,508 0.544,509 0.949,510 0.817,511 1.181,512 0.499,513 1.181,514 0.993,515 0.945,516 1.105,517 0.962,518 0.968,519 1.043,520 1.033,521 0.977,522 0.966,523 0.984,524 1.028,525 0.951,526 1.326,527 0.783,528 1.279,529 0.825,530 1.385,531 0.938,532 1.164,533 0.802,534 1.167,535 0.959,536 1.235,537 1.026,538 1.027,539 1.003,540 0.876,541 1.038,542 1.131,543 0.947,544 6,545 0.115,546 3.111,547 2.313,548 1.373,549 1.028,550 0.448,551 0.415,552 0.358,553 0.191,554 7187,555 29912,556 2.005,557 32.4,559 8,561 2,562 2,567 1.68,568 1.84,569 3.362,570 0.352,571 1,572 1,574 1,577 68.734,578 1.858,579 3.635,580 4.283,581 4.703,582 4.811,583 4.811,584 2.774,585 4.183,586 4.619,587 3.534,588 1060.19,589 7.982,590 13202.8,591 1,592 1,594 1,595 192.75,596 1.673,597 4.546,598 0.222,599 0.007,600 0.084,601 0.066,602 0.046,603 0.033,604 0.015,605 0.016,606 0.015,607 0.009,608 0.514,609 0.33,610 1,611 0.836,612 121.686,613 -0.058,614 -0.049,615 -0.003,616 0.02,617 -0.081,618 0.043,619 0.306,620 0.202,621 0.056,622 -0.065,623 0.323,624 -0.116,625 0.106,626 -0.178,627 0.032,628 -0.24,629 0.126,630 -0.194,631 -0.099,632 -0.037,633 -0.068,634 0.007,635 -0.101,636 -0.001,637 -0.157,638 -0.129,639 0.019,640 -0.013,641 -0.129,642 0.069,643 -0.224,644 0.215,645 -0.271,646 0.133,647 -0.252,648 -0.001,649 -0.231,650 -0.011,651 -0.245,652 -0.029,653 -0.225,654 -0.099,655 -0.109,656 -0.211,657 0.115,658 -0.071,659 -0.146,660 0.062,661 5.689,662 4.718,663 0.64,664 21.267,665 1.049,666 1.147,667 1.632,668 2.665,669 0.684,670 3.332,671 3.689,672 3.912,673 4.06,674 4.22,675 4.205,676 4.317,677 4.357,678 4.466,679 4.5,680 6.349,681 0.697,682 347.32,683 3.332,684 4.89,685 5.733,686 6.621,687 7.487,688 8.378,689 9.254,690 10.146,691 11.028,692 11.923,693 8.1,695 1,698 1,703 1,709 8,710 1,714 3,716 12,728 1,735 37,737 15,738 1,739 27,741 39,742 17,743 11,744 2,745 4,746 4,748 3,749 3,754 1,759 1,762 15,763 2,767 3,772 2,776 4,779 1,780 1,781 3,783 12,784 8,785 2,786 8,792 3,797 1,798 2,809 1,814 1,816 2,827 2,834 2,838 1,843 3,849 3,851 25,858 1,860 2,865 1,873 3,874 5.4,877 2,881 13.583,882 6.629,883 5.361,884 2.018,886 2.418,887 1.346,888 1,889 4.495,890 9.404,891 3.611,892 4.19,893 4.718,894 5.134,895 5.55,896 5.554,897 5.885,898 6.129,899 6.471,900 6.705,901 0.857,902 35,903 9.696,905 4.693,906 8.557,907 16.449,909 13.348,911 3.057,912 76.417,916 117.711,917 109.726,918 52.807,920 50.29,921 44.88,923 109.726,924 168.001,925 97.687,927 2.106,928 74.868,929 124.409,930 72.103,932 94.169,933 7.76,934 117.711,935 162.533,936 95.17,939 117.711,940 95.17,943 45.971,944 76.252,945 40.31,947 162.591,948 103.097,949 109.726,952 125.471,953 27.014,954 74.952,955 36.022,956 111.956,957 117.711,958 147.977,959 109.726,961 0.595,962 0.337,963 0.163,964 0.086,965 19,966 9,967 0.128,968 5,970 1,971 3.713,972 198.723,974 16,975 107.342,981 17.032,982 6.598,983 3.659,985 147.977,986 11.029,987 3.838,991 0.147,993 36.022,994 375.414,995 36,1000 23.406,1004 -1.241,1007 38.8,1008 42.424,1009 0.357,1010 0.698,1011 0.822,1012 0.903,1013 0.923,1014 0.923,1015 4.868,1016 1.279,1017 5.771,1018 4.365,1019 4.369,1020 4.875,1021 3.092,1022 6.632,1023 4.288,1024 6.101,1025 1.116,1026 7.376,1027 2.971,1028 4.205,1029 4.732,1030 3.903,1031 7.835,1032 3.998,1033 7.437,1034 1,1035 9.096,1036 2.557,1037 6.084,1038 7.045,1039 5.422,1040 10.9,1041 5.91,1042 8.812,1043 0.616,1044 10.887,1045 2.136,1046 6.735,1047 7.688,1048 6.69,1049 12.905,1050 6.456,1051 10.221,1052 0.047,1053 12.723,1054 1.479,1055 8.159,1056 9.513,1057 8.058,1058 15.572,1059 7.885,1060 11.655,1061 -0.456,1062 14.59,1063 0.117,1064 9.136,1065 10.517,1066 9.388,1067 17.857,1068 8.793,1069 13.109,1070 -0.69,1071 16.48,1072 -1.106,1073 10.405,1074 12.128,1075 10.734,1076 20.396,1077 10.049,1078 3.321,1079 -0.823,1080 18.387,1081 -1.638,1082 11.512,1083 13.314,1084 12.074,1085 22.783,1086 11.113,1087 3.296,1088 11.69,1089 20.305,1090 -2.339,1091 12.729,1092 14.822,1093 13.416,1094 25.274,1095 12.312,1096 2.5,1097 11.621,1098 22.232,1099 4.157,1100 13.888,1101 16.105,1102 14.758,1103 27.701,1104 13.442,1105 2.467,1106 7.145,1107 24.165,1108 3.863,1109 15.088,1110 17.561,1111 16.1,1112 30.172,1113 14.626,1114 1.705,1115 7.072,1116 26.104,1117 3.428,1118 16.268,1119 18.898,1120 17.441,1121 32.616,1122 15.786,1123 1.608,1124 4.891,1125 28.046,1126 3.084,1127 17.464,1128 20.33,1129 18.783,1130 35.079,1131 16.968,1132 1.479,1133 4.5,1134 29.991,1135 2.197,1136 18.653,1137 21.697,1138 20.124,1139 37.529,1140 18.144,1141 7061,1142 14546,1143 17.394,1144 25.307,1145 41.918,1146 42.252,1147 41.933,1148 41.169,1149 40.865,1150 52.948,1151 9.765,1152 121.085,1153 39.11,1154 5.596,1155 6.46,1156 6.918,1157 5.341,1158 5.321,1159 7.157,1160 5.335,1161 19.69,1162 5.322,1163 14.23,1164 1.553,1165 1.565,1166 1.553,1167 1.525,1168 1.514,1169 1.961,1170 0.362,1171 4.485,1172 1.449,1173 4.006,1174 4.034,1175 3.974,1176 3.902,1177 8.513,1178 3.91,1179 3.912,1180 3.939,1181 3.875,1182 3.809,1183 7.999,1184 3.823,1185 3.787,1186 3.813,1187 3.741,1188 3.664,1189 7.999,1190 3.68,1191 3.382,1192 3.431,1193 3.375,1194 3.131,1195 7.501,1196 3.162,1197 3.156,1198 3.226,1199 3.039,1200 2.919,1201 7.349,1202 2.937,1203 2.917,1204 2.995,1205 2.842,1206 2.735,1207 4.917,1208 2.715,1209 2.854,1210 2.925,1211 2.687,1212 2.615,1213 4.704,1214 2.661,1215 2.702,1216 2.775,1217 2.577,1218 2.461,1219 4.381,1220 2.482,1221 0.172,1222 0.165,1223 0.264,1224 0.159,1225 0.123,1226 4.651,1227 0.154,1228 4.46,1229 0.142,1230 7.116,1231 0.433,1232 4.305,1233 0.123,1234 3.321,1235 4.157,1236 3.825,1237 11.69,1238 3.322,1239 1.938,1240 1.914,1241 2.038,1242 2.064,1243 1.185,1244 2.049,1245 1.869,1246 1.845,1247 1.955,1248 1.994,1249 1.009,1250 1.988,1251 1.73,1252 1.708,1253 1.794,1254 1.878,1255 0.863,1256 1.856,1257 1.25,1258 1.197,1259 1.462,1260 1.523,1261 0.632,1262 1.485,1263 1.044,1264 0.992,1265 1.204,1266 1.345,1267 0.26,1268 1.295,1269 0.886,1270 0.821,1271 1.181,1272 1.125,1273 0.218,1274 1.107,1275 0.784,1276 0.706,1277 0.994,1278 1.062,1279 0.017,1280 1.086,1281 0.643,1282 0.567,1283 0.94,1284 0.918,1286 0.931,1287 4.007,1289 5.389,1291 6.974,1293 8.64,1295 10.344,1299 38.154,1303 -0.014,1305 5.536,1310 -4.439,1314 25.805,1315 68.734,1316 134.485,1317 158.485,1318 173.995,1319 177.995,1320 177.995,1321 65.33,1322 6.986,1323 71.09,1324 71.09,1325 16,1326 12.451,1327 4,1328 3.322,1329 41.805,1330 95,1331 86,1332 0.214,1333 157.283,1334 288.81,1335 375.532,1336 9780,1337 8.1,1338 18.027,1339 0.721,1340 0.509,1341 15.527,1342 12.724,1343 11.859,1344 0.439,1345 0.269,1346 7.106,1347 11.234,1348 7.037,1349 5.777,1350 10.648,1351 7.264,1352 11.459,1353 0.294,1354 0.136,1355 9.501,1356 5.321,1357 8.976,1358 0.183,1359 0.073,1360 8.013,1361 3.584,1362 6.745,1363 0.118,1364 0.039,1365 6.227,1366 2.245,1367 5.283,1368 0.079,1369 0.021,1370 4.654,1371 1.434,1372 0.337,1373 75.922,1374 0.24,1375 24.426,1376 0.579,1377 132,1378 626.115,1379 158.387,1380 521.468,1381 668.33,1382 480,1383 154,1384 455.329,1385 175.205,1386 442.095,1387 665.3,1388 414,1389 5.1}
{0 CHEMBL1979318,1 1.749,2 5.95,3 2.569,4 6.599,5 84.418,6 12.2,7 0.5,8 3.568,9 3.677,10 3.562,11 3.243,12 4.823,13 3.191,14 4.035,15 4.164,16 4.036,17 3.669,18 5.192,19 3.582,20 4.249,21 4.388,22 4.264,23 3.867,24 5.386,25 3.735,26 4.386,27 4.561,28 4.301,29 3.936,30 5.648,31 3.771,32 4.342,33 4.524,34 4.383,35 3.897,36 5.591,37 3.729,38 4.261,39 4.442,40 4.62,41 3.717,42 5.66,43 3.548,44 4.069,45 4.347,46 2.819,47 3.202,48 5.177,49 2.859,50 3.373,51 3.77,52 0.798,53 2.001,54 3.951,55 1.625,56 0.074,57 0.476,58 0.735,59 2.366,60 11.065,61 2.499,62 0.157,63 0.724,64 4.291,65 4.589,66 15.856,67 5.118,68 0.181,69 0.903,70 13.393,71 6.829,72 22.721,73 6.381,74 0.278,75 1.075,76 34.409,77 9.376,78 47.523,79 7.907,80 0.219,81 1.018,82 19.165,83 8.272,84 33.217,85 7.526,86 0.191,87 1.006,88 11.627,89 6.991,90 33.096,91 5.435,92 0.262,93 0.748,94 63.337,95 9.893,96 48.034,97 6.971,98 0.154,99 0.3,100 16.584,101 3.863,102 22.457,103 4.676,104 18,105 32,106 0.325,107 0.737,108 0.821,109 0.869,110 0.881,111 0.881,112 3.061,113 0.965,114 -3.91,115 -3.87,116 -3.67,119 45.2,120 1,122 1,136 1,139 1,142 4,143 2,144 1,147 1,152 1,158 1,163 1,164 1,165 1,168 1,172 7,174 1,175 4,177 1,178 1,180 3,183 11,185 1,188 4,191 1,193 2,196 10,198 1,199 1,200 6,202 2,203 2,205 4,208 10,210 2,213 3,217 1,218 2,220 1,221 3,223 1,224 1,225 10,228 1,230 7,233 3,235 4,238 3,243 2,246 1,248 1,276 478,277 13.491,278 13.491,279 13.491,280 13.491,281 13.491,282 11.633,283 14.138,284 7.742,285 13.905,286 10.76,287 10.76,288 10.76,289 10.76,290 10.76,291 8.003,292 15.449,293 3.527,294 11.524,295 3.205,296 0.992,297 0.54,298 0.282,299 0.218,300 0.218,301 3.733,304 1,305 1,306 1,307 252,308 2.236,311 38.183,312 96.405,315 69.679,319 0.77,320 17.786,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 42.4,332 119,333 4.656,334 4.156,335 7.125,336 4.333,337 3.361,338 4.243,339 2.278,340 12.411,341 3.268,342 4.151,343 3.656,344 6.238,345 3.695,346 2.76,347 3.772,348 1.248,349 9.127,350 2.584,351 4.054,352 3.08,353 5.97,354 3.508,355 2.565,356 3.502,357 1.041,358 8.202,359 2.37,360 3.315,361 2.803,362 5.196,363 2.891,364 1.995,365 2.384,367 6.038,368 1.765,369 3.154,370 2.541,371 4.781,372 2.616,373 1.669,374 2.182,376 4.737,377 1.573,378 2.994,379 2.012,380 4.101,381 2.328,382 1.414,383 2.009,385 3.29,386 1.21,387 2.859,388 1.619,389 3.867,390 2.188,391 1.225,392 1.668,394 2.918,395 1.067,396 2.599,397 1.401,398 3.608,399 2.03,400 1.076,401 1.563,403 2.626,404 1.021,405 2.161,406 1.194,407 3.321,408 1.504,409 0.547,410 0.829,412 1.09,413 0.506,414 1.312,415 0.616,416 2.736,417 0.748,418 -0.102,419 -0.124,421 -0.22,422 -0.034,423 0.989,424 0.393,425 2.359,426 0.687,427 -0.234,428 -0.298,430 -0.458,431 -0.206,432 0.802,433 0.021,434 2.337,435 0.304,436 -0.532,437 -0.696,439 -1.338,440 -0.35,441 0.551,442 -0.352,443 2,444 0.14,445 -0.791,446 -0.973,448 -1.903,449 -0.707,450 0.332,451 -0.691,452 2,453 -0.016,454 -1,455 -1.393,457 -2.538,458 -0.987,459 -0.059,460 -0.889,461 1.641,462 -0.439,463 -1.349,464 -1.558,466 -3.459,467 -1.03,468 10.576,469 0.529,470 0.542,471 0.027,472 27,473 1.35,474 14.5,475 0.725,476 12.5,477 0.625,478 17.255,479 0.863,480 19.424,481 0.627,482 16.284,483 0.814,484 5.076,485 0.254,486 4.554,487 0.228,488 0.278,490 0.378,496 0.91,497 0.81,498 0.46,499 0.503,500 0.721,501 0.638,502 0.634,503 0.897,504 0.547,505 0.594,506 0.434,507 0.72,508 1.015,509 1.004,510 0.911,511 0.889,512 0.708,513 0.928,514 0.96,515 0.954,516 1.227,517 1.138,518 0.871,519 1.038,520 1.056,521 1.045,522 1.014,523 0.922,524 1.1,525 0.886,526 1.15,527 1.488,528 1.258,529 1.413,530 1.261,531 1.289,532 1.425,533 1.07,534 1.817,535 1.763,536 2.014,537 1.632,538 0.746,539 0.369,540 0.06,541 0.189,542 0.756,543 0.602,544 3.5,546 2.667,547 2.035,548 1.728,549 1.118,550 0.364,551 0.098,554 3027,555 10554,556 2.048,557 35.5,558 1,559 4,562 3,563 3,567 1.631,568 1.875,569 2.565,570 1.152,572 1,575 1,577 54.223,578 1.749,579 3.962,580 4.414,581 4.672,582 4.736,583 4.736,584 1.857,585 4.222,586 4.298,587 2.686,588 510.42,589 7.409,590 5178.64,591 1,592 1,594 1,595 153.58,596 1.522,597 4.231,598 0.159,600 0.083,601 0.058,602 0.049,603 0.033,604 0.014,605 0.016,608 0.413,609 0.5,610 1,611 0.897,612 84.599,613 -0.056,614 0.21,615 -0.004,616 0.049,617 -0.063,618 0.075,619 0.236,620 0.046,621 0.019,622 0.062,623 0.097,624 0.099,625 -0.035,626 -0.052,627 -0.034,628 -0.004,629 -0.057,630 -0.047,631 0.005,632 0.048,633 -0.092,634 -0.06,635 0.1,636 -0.084,637 -0.087,638 -0.071,639 -0.012,640 0.068,641 -0.044,642 0.07,643 -0.082,644 -0.435,645 0.04,646 -0.232,647 0.027,648 -0.341,649 -0.346,650 -0.083,651 -0.263,652 -0.342,653 -0.499,654 -0.45,655 0.12,656 0.349,657 0.152,658 0.352,659 0.119,660 0.682,661 1.574,662 3.437,663 0.75,664 10.7,665 1.011,666 1.116,667 2.682,668 7.193,669 0.78,670 3.135,671 3.497,672 3.85,673 4.19,674 4.431,675 4.511,676 4.511,677 4.543,678 4.407,679 4.205,680 4.043,681 0.717,682 378.19,683 3.135,684 4.691,685 5.58,686 6.497,687 7.41,688 8.335,689 9.256,690 10.183,691 11.105,692 12.034,693 12.9,694 1,701 1,702 1,703 1,709 4,710 1,711 1,714 5,716 11,733 1,734 1,735 31,737 13,738 1,739 22,741 33,742 14,743 9,744 2,745 4,748 3,749 4,754 1,758 1,761 1,762 11,763 2,764 1,767 1,776 2,779 1,780 1,783 11,784 4,785 3,786 6,787 1,788 1,792 4,797 0.667,798 1,807 1,815 1,816 2,819 1,825 1,835 1,836 1,843 2,847 1,850 1,851 20,852 1,861 1,863 1,866 1,870 1,872 1,873 1,874 3.2,879 1,881 10.667,882 5.96,883 4.444,884 1.727,886 2.559,887 1.38,888 1.021,889 3.44,890 9.3,891 3.45,892 4.056,893 4.665,894 5.256,895 5.712,896 6.014,897 6.347,898 6.698,899 6.863,900 6.912,901 0.75,902 35,903 7.327,905 3.138,906 7.831,907 13.796,909 11.353,911 2.331,912 46.62,916 94.169,917 143.716,918 97.283,920 11,922 56.782,923 86.934,924 105.169,925 97.283,926 8.825,927 32.897,928 37.905,929 33.265,930 74.753,931 7.571,932 150.951,934 94.169,935 184.217,936 11,938 56.782,939 94.169,940 11,943 89.445,944 78.109,945 16.663,946 56.782,947 94.169,948 108.282,949 86.934,950 56.782,952 94.169,953 23.602,954 103.512,955 33.265,956 91.619,957 94.169,958 108.282,959 86.934,960 56.782,961 0.586,962 0.371,963 0.219,964 0.123,965 17,966 8,967 0.03,968 1,969 1,970 1.133,971 3.027,972 162.532,973 0.133,974 15,975 86.439,981 13.463,982 5.11,983 2.125,985 91.619,986 7.921,987 4.108,988 2.894,991 4.305,993 49.56,994 346.168,995 30.5,1004 0.544,1007 31.338,1008 34.584,1009 0.353,1010 0.8,1011 0.891,1012 0.943,1013 0.956,1014 0.956,1015 4.716,1016 1.076,1017 5.595,1018 2.918,1019 4.174,1020 4.741,1021 2.759,1022 6.497,1023 4.049,1024 5.961,1025 0.547,1026 7.212,1027 2.626,1028 3.892,1029 4.59,1030 1.06,1031 7.597,1032 3.68,1033 7.298,1034 -0.102,1035 8.933,1036 1.09,1037 5.844,1038 6.962,1039 4.07,1040 10.775,1041 5.645,1042 8.671,1043 -0.234,1044 10.717,1045 -0.22,1046 6.399,1047 7.644,1048 2.057,1049 12.724,1050 6.146,1051 10.075,1052 -0.532,1053 12.54,1054 -0.458,1055 7.846,1056 9.47,1057 5.62,1058 15.441,1059 7.592,1060 11.502,1061 -0.791,1062 14.39,1063 -1.338,1064 8.768,1065 10.533,1066 3.537,1067 17.73,1068 8.48,1069 12.947,1070 -1,1071 16.26,1072 -1.903,1073 10.038,1074 12.13,1075 7.233,1076 20.304,1077 9.739,1078 3.361,1079 -1.349,1080 18.146,1081 -2.538,1082 11.119,1083 13.373,1084 5.286,1085 22.729,1086 10.794,1087 2.76,1088 12.411,1089 20.044,1090 -3.459,1091 12.332,1092 14.871,1093 8.862,1094 25.26,1095 11.991,1096 2.565,1097 9.127,1098 21.952,1099 4.243,1100 13.48,1101 16.204,1102 7.087,1103 27.74,1104 13.116,1105 1.995,1106 8.202,1107 23.867,1108 3.772,1109 14.679,1110 17.659,1111 10.494,1112 30.259,1113 14.296,1114 1.669,1115 6.038,1116 25.79,1117 3.502,1118 15.857,1119 19.036,1120 8.88,1121 32.761,1122 15.452,1123 1.414,1124 4.737,1125 27.718,1126 2.384,1127 17.056,1128 20.475,1129 12.128,1130 35.278,1131 16.629,1132 1.225,1133 3.29,1134 29.651,1135 2.182,1136 18.248,1137 21.877,1138 10.654,1139 37.789,1140 17.799,1141 3051,1142 5782,1143 14.334,1144 24.182,1145 34.929,1146 36.264,1147 36.051,1148 33.575,1149 33.225,1150 44.302,1151 9.135,1152 100.879,1153 30.728,1154 5.494,1155 6.156,1156 6.809,1157 5.432,1158 5.361,1159 7.243,1160 4.525,1161 19.961,1162 5.268,1163 10.274,1164 1.588,1165 1.648,1166 1.639,1167 1.526,1168 1.51,1169 2.014,1170 0.415,1171 4.585,1172 1.397,1173 4.059,1174 4.09,1175 10.695,1176 4.073,1177 6.82,1178 3.98,1179 3.822,1180 3.859,1181 4.012,1182 3.795,1183 5.179,1184 3.735,1185 3.56,1186 3.612,1187 3.707,1188 3.407,1189 4.929,1190 3.422,1191 3.054,1192 3.14,1193 3.515,1194 3.339,1195 4.71,1196 2.874,1197 2.991,1198 3.09,1199 2.956,1200 2.837,1201 4.172,1202 2.818,1203 2.92,1204 3.004,1205 2.859,1206 2.783,1207 3.857,1208 2.791,1209 2.858,1210 2.908,1211 2.736,1212 2.604,1213 3.673,1214 2.64,1215 2.538,1216 2.629,1217 2.574,1218 2.448,1219 3.667,1220 2.302,1221 0.212,1222 0.189,1223 0.324,1224 0.197,1225 0.153,1226 4.656,1227 0.193,1228 4.156,1229 0.104,1230 7.125,1231 0.564,1232 4.333,1233 0.149,1234 3.361,1235 4.243,1236 2.278,1237 12.411,1238 3.268,1239 1.957,1240 1.941,1241 2.018,1242 2.016,1243 1.265,1244 2.026,1245 1.694,1246 1.671,1247 1.809,1248 1.81,1249 0.939,1250 1.814,1251 1.478,1252 1.414,1253 1.663,1254 1.757,1255 0.716,1256 1.726,1257 1.131,1258 1.075,1259 1.253,1260 1.403,1261 0.201,1262 1.367,1263 0.947,1264 0.887,1265 1.196,1266 1.246,1267 0.179,1268 1.249,1269 0.881,1270 0.838,1271 1.102,1272 1.135,1273 0.114,1274 1.119,1275 0.806,1276 0.699,1277 1.018,1278 1.005,1279 0.034,1280 1.054,1281 0.7,1282 0.597,1283 0.901,1284 0.897,1286 0.931,1287 3.807,1289 5.153,1290 2.398,1291 6.715,1292 4.727,1293 8.383,1294 6.823,1295 10.109,1297 1.911,1300 2.261,1301 5.87,1306 5.438,1308 -0.24,1312 9.437,1313 2.172,1314 22.224,1315 54.223,1316 122.825,1317 136.825,1318 144.825,1319 146.825,1320 146.825,1321 30.675,1322 6.742,1323 87.72,1324 87.72,1325 17,1326 12.538,1327 3.807,1328 3.248,1329 29.461,1330 46,1331 46,1332 0.318,1333 148.222,1334 248.83,1335 353.422,1336 6155,1337 3.2,1338 14.276,1339 0.714,1340 0.64,1341 15.776,1342 12.802,1343 9.63,1344 0.438,1345 0.322,1346 5.991,1347 8.625,1348 5.766,1349 4.775,1350 10.496,1351 7.079,1352 8.68,1353 0.271,1354 0.177,1355 9.792,1356 5.676,1357 7.682,1358 0.167,1359 0.094,1360 8.757,1361 4.328,1362 6.806,1363 0.105,1364 0.048,1365 7.696,1366 3.118,1367 5.461,1368 0.066,1369 0.026,1370 6.261,1371 2.161,1372 0.458,1373 73.716,1374 0.264,1375 18.911,1376 1.022,1377 108,1378 322.319,1379 266.5,1380 360.669,1381 484.81,1382 334,1383 132,1384 337.287,1385 199.35,1386 356.869,1387 523.05,1388 335,1389 5.1}
{0 CHEMBL1979357,1 1.326,2 10.889,3 2.793,4 7.801,5 110.977,6 7.234,7 0.733,8 3.976,9 4.104,10 3.533,11 3.586,12 5.083,13 3.548,14 4.465,15 4.639,16 3.847,17 3.98,18 5.465,19 3.918,20 4.695,21 4.893,22 3.901,23 4.135,24 5.629,25 4.033,26 4.809,27 5.036,28 3.865,29 4.148,30 5.711,31 4.024,32 4.831,33 5.07,34 3.855,35 4.126,36 5.77,37 4.002,38 4.848,39 5.103,40 3.808,41 4.097,42 5.768,43 3.964,44 4.774,45 5.041,46 3.65,47 3.979,48 5.701,49 3.834,50 4.629,51 4.925,52 3.415,53 3.781,54 5.456,55 3.625,56 0.049,57 0.707,58 9.979,59 4.219,60 11.871,61 5.797,62 0.13,63 1.131,64 17.461,65 6.873,66 18.15,67 9.582,68 0.113,69 1.358,70 22.551,71 9.65,72 21.655,73 13.525,74 0.151,75 1.504,76 26.323,77 10.699,78 26.757,79 15.197,80 0.24,81 1.558,82 27.441,83 10.559,84 35.555,85 15.081,86 0.22,87 1.558,88 28.479,89 10.869,90 34.661,91 15.643,92 0.195,93 1.433,94 26.838,95 10.025,96 40.703,97 14.518,98 0.233,99 1.216,100 24.16,101 8.705,102 32.792,103 12.712,104 6,105 41,106 0.221,107 0.574,108 0.771,109 0.865,110 0.879,111 0.879,112 3.34,113 0.903,114 -3.43,115 -3.41,116 -3.26,119 46.9,122 1,124 1,125 1,135 2,142 7,143 5,145 4,151 1,152 1,163 1,164 1,165 1,172 14,175 7,180 1,183 15,185 1,188 7,193 2,196 13,198 2,200 5,205 2,208 11,210 2,213 4,215 2,216 2,218 2,221 10,223 2,224 1,225 5,230 3,233 9,235 3,238 4,243 2,246 8,248 2,249 1,250 3,255 1,258 7,260 1,264 2,269 2,272 6,274 2,276 1144,277 18.784,278 18.784,279 18.784,280 18.784,281 18.784,282 16.051,283 11.192,284 11.266,285 19.021,286 14.781,287 14.781,288 14.781,289 14.781,290 14.781,291 10.728,292 16.54,293 5.272,294 15.141,295 4.289,296 2.173,297 0.988,298 0.424,299 0.342,300 0.342,301 4.041,305 1,306 1,307 645,308 3.082,311 58.001,312 250.62,315 109.464,319 1.687,320 11.711,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 56,332 294,333 4.668,334 3.475,335 6.895,336 4.249,337 3.267,338 4.612,339 0.68,340 11.561,341 3.213,342 4.178,343 2.969,344 6.269,345 3.806,346 2.823,347 3.771,349 9.333,350 2.776,351 3.946,352 2.575,353 5.517,354 3.542,355 2.549,356 3.496,358 7.288,359 2.532,360 3.692,361 2.401,362 5.344,363 3.335,364 2.348,365 3.041,367 6.855,368 2.316,369 3.354,370 2.027,371 5.16,372 2.893,373 1.936,374 2.703,376 5.937,377 1.851,378 3.252,379 1.866,380 4.788,381 2.786,382 1.799,383 2.564,385 5.006,386 1.772,387 2.977,388 1.513,389 4.092,390 2.448,391 1.504,392 2.159,394 3.305,395 1.418,396 2.771,397 1.396,398 3.637,399 2.322,400 1.355,401 1.88,403 3.1,404 1.308,405 2.661,406 1.204,407 3.584,408 2.148,409 1.181,410 1.736,412 2.75,413 1.139,414 2.5,415 1.138,416 3.498,417 2.033,418 1.078,419 1.5,421 2.51,422 1.027,423 2.464,424 1,425 3.403,426 1.984,427 1,428 1.451,430 2.136,431 0.983,432 2.304,433 0.922,434 3.247,435 1.766,436 0.791,437 1.008,439 1.759,440 0.77,441 2.097,442 0.604,443 3.077,444 1.587,445 0.601,446 0.97,448 1.4,449 0.592,450 1.122,451 0.241,452 2.529,453 0.9,454 -0.046,455 -0.052,457 -0.075,458 -0.043,459 0.91,460 -0.402,461 2.44,462 0.562,463 -0.414,464 -0.517,466 -1,467 -0.402,468 13.1,469 0.485,470 0.5,471 0.019,472 38.5,473 1.426,474 21.5,475 0.796,476 17,477 0.63,478 19.243,479 0.713,480 27.1,481 0.553,482 27.741,483 1.027,484 7.796,485 0.289,486 5.462,487 0.202,488 0.069,490 0.298,496 1.007,497 1.162,498 0.825,499 0.95,500 1.083,501 0.886,502 1.296,503 0.923,504 0.957,505 0.852,506 1,507 0.871,508 0.77,509 1.078,510 0.987,511 1.09,512 0.82,513 1.064,514 0.882,515 1.122,516 1.038,517 1.121,518 0.825,519 1.099,520 1.012,521 1.021,522 1.059,523 1.052,524 1.097,525 1.058,526 0.989,527 1.033,528 1.001,529 1.021,530 0.906,531 1.013,532 1.103,533 1.057,534 1.036,535 1.029,536 1.357,537 1.027,538 1.134,539 0.702,540 0.927,541 0.759,542 1.037,543 0.812,544 4,545 0.118,546 2.667,547 1.951,548 1.241,549 0.921,550 0.357,551 0.358,552 0.207,553 0.095,554 9165,555 21446,556 2.142,557 44.9,559 14,560 1,561 4,562 2,564 1,567 1.701,568 2.051,569 3.399,570 0.157,571 1,572 1,577 64.971,578 1.326,579 3.442,580 4.627,581 5.191,582 5.273,583 5.273,584 2.876,585 4.282,586 4.726,587 3.562,588 1250.4,589 8.208,590 15996.5,592 1,594 1,595 275.121,596 1.218,597 4.706,598 0.133,599 0.007,600 0.065,601 0.046,602 0.032,603 0.024,604 0.01,605 0.012,606 0.009,607 0.005,608 0.343,609 0.5,610 1,611 0.63,612 133.71,613 -0.031,614 -0.065,615 0.049,616 0.012,617 -0.113,618 0.033,619 -0.209,620 0.157,621 -0.04,622 0.104,623 -0.141,624 0.058,625 -0.032,626 -0.094,627 -0.067,628 -0.09,629 -0.056,630 -0.083,631 -0.034,632 -0.151,633 -0.084,634 -0.131,635 0.003,636 -0.116,637 0.035,638 -0.024,639 -0.082,640 -0.083,641 -0.005,642 -0.091,643 0.027,644 -0.06,645 -0.01,646 -0.045,647 0.108,648 -0.033,649 -0.058,650 -0.091,651 -0.032,652 -0.055,653 -0.111,654 -0.044,655 -0.028,656 0.252,657 0.11,658 0.218,659 -0.001,660 0.184,661 1.224,662 2.19,663 0.778,664 24.513,665 0.987,666 1.117,667 2.201,668 4.846,669 0.691,670 3.434,671 3.738,672 4.043,673 4.331,674 4.543,675 4.564,676 4.673,677 4.745,678 4.771,679 4.804,680 6.412,681 0.65,682 354.49,683 3.434,684 4.963,685 5.82,686 6.698,687 7.575,688 8.463,689 9.348,690 10.241,691 11.132,692 12.029,693 8.2,694 1,701 1,703 2,708 2,709 12,710 2,714 4,715 1,716 22,735 49,737 23,738 1,739 30,741 52,742 23,743 18,744 2,745 4,746 2,748 4,749 5,754 1,762 20,763 3,764 1,767 1,774 2,780 1,783 22,784 3,785 2,786 4,792 4,797 0.75,809 2,811 1,815 1,816 3,819 1,834 2,836 1,843 3,847 1,851 27,852 1,858 1,863 1,881 13.167,882 8.933,883 6.056,884 2.792,886 4.656,887 1.621,888 1.021,889 4.929,890 12.15,891 3.761,892 4.385,893 5.036,894 5.661,895 6.195,896 6.438,897 6.883,898 7.278,899 7.56,900 7.909,901 1,902 42,903 9.917,905 4.139,906 7.531,907 19.299,909 15.863,911 2.031,912 54.833,915 1,916 235.422,917 158.485,918 68.367,923 158.485,924 235.422,925 68.367,926 8.396,927 35.003,928 94.334,929 80.655,930 53.404,931 13.915,932 176.567,934 235.422,935 226.852,939 223.651,940 11.771,943 73.092,944 101.237,945 52.524,947 235.422,948 68.367,949 158.485,952 235.422,953 19.565,954 140.819,956 66.468,957 235.422,958 68.367,959 158.485,961 0.569,962 0.345,963 0.199,964 0.108,965 20,966 8,967 0.096,968 5,969 1,970 1.095,971 3.933,972 232.963,973 0.095,974 21,975 120.382,981 17.354,982 7.668,983 3.587,984 2.459,985 66.468,986 24.123,987 8.499,991 4.543,992 2.161,993 32.897,994 462.274,995 42,1002 4.139,1007 48.36,1008 54.73,1009 0.236,1010 0.613,1011 0.824,1012 0.925,1013 0.939,1014 0.939,1015 4.966,1016 1.355,1017 5.784,1018 3.305,1019 4.419,1020 5.072,1021 0.655,1022 6.597,1023 4.376,1024 6.174,1025 1.181,1026 7.336,1027 3.1,1028 3.892,1029 4.745,1031 7.516,1032 3.845,1033 7.474,1034 1.078,1035 8.995,1036 2.75,1037 5.999,1038 7.317,1039 0.356,1040 10.66,1041 5.926,1042 8.817,1043 1,1044 10.721,1045 2.51,1046 6.365,1047 7.908,1049 12.482,1050 6.288,1051 10.196,1052 0.791,1053 12.491,1054 2.136,1055 7.894,1056 9.88,1057 0.18,1058 15.139,1059 7.795,1060 11.602,1061 0.601,1062 14.293,1063 1.759,1064 8.684,1065 10.935,1067 17.323,1068 8.576,1069 13.031,1070 -0.046,1071 16.118,1072 1.4,1073 9.979,1074 12.642,1075 0.087,1076 19.828,1077 9.85,1078 3.267,1079 -0.414,1080 17.961,1081 -0.075,1082 10.972,1083 13.937,1085 22.161,1086 10.829,1087 2.823,1088 11.561,1089 19.817,1090 -1,1091 12.176,1092 15.529,1093 0.041,1094 24.619,1095 12.016,1096 2.549,1097 9.333,1098 21.685,1099 4.612,1100 13.263,1101 16.942,1103 27.013,1104 13.087,1105 2.348,1106 7.288,1107 23.563,1108 3.771,1109 14.438,1110 18.489,1111 0.019,1112 29.458,1113 14.244,1114 1.936,1115 6.855,1116 25.448,1117 3.496,1118 15.569,1119 19.96,1121 31.879,1122 15.358,1123 1.799,1124 5.937,1125 27.339,1126 3.041,1127 16.736,1128 21.489,1129 0.009,1130 34.321,1131 16.508,1132 1.504,1133 5.006,1134 29.235,1135 2.703,1136 17.889,1137 22.988,1139 36.754,1140 17.644,1141 8628,1142 13293,1143 20.572,1144 33.875,1145 45.329,1146 44.647,1147 45.955,1148 44.493,1149 44.464,1150 61.782,1151 1.36,1152 125.879,1153 43.391,1154 5.444,1155 5.475,1156 6.697,1157 5.287,1158 5.267,1159 7.612,1160 1.36,1161 19.085,1162 5.213,1163 9.313,1164 1.511,1165 1.488,1166 1.532,1167 1.483,1168 1.482,1169 2.059,1170 0.045,1171 4.196,1172 1.446,1173 4.157,1174 4.19,1175 4.117,1176 4.077,1177 5.038,1178 4.083,1179 3.942,1180 3.977,1181 3.888,1182 3.865,1183 4.935,1184 3.866,1185 3.822,1186 3.864,1187 3.763,1188 3.727,1189 4.899,1190 3.73,1191 3.515,1192 3.578,1193 3.405,1194 3.401,1195 4.842,1196 3.395,1197 3.41,1198 3.492,1199 3.275,1200 3.224,1201 4.298,1202 3.227,1203 3.228,1204 3.297,1205 3.111,1206 3.055,1207 4.249,1208 3.059,1209 3.042,1210 3.129,1211 2.871,1212 2.862,1213 3.902,1214 2.852,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.724,1220 2.715,1221 0.156,1222 0.116,1223 0.23,1224 0.142,1225 0.109,1226 4.668,1227 0.154,1228 3.475,1229 0.023,1230 6.895,1231 0.385,1232 4.249,1233 0.107,1234 3.267,1235 4.612,1236 0.68,1237 11.561,1238 3.213,1239 1.975,1240 1.952,1241 2.068,1242 2.056,1243 1.289,1244 2.061,1245 1.909,1246 1.88,1247 2.012,1248 2.011,1249 1.117,1250 2.013,1251 1.817,1252 1.78,1253 1.936,1254 1.946,1255 1.03,1256 1.946,1257 1.611,1258 1.559,1259 1.774,1260 1.787,1261 0.854,1262 1.788,1263 1.388,1264 1.312,1265 1.654,1266 1.635,1267 0.741,1268 1.647,1269 1.204,1270 1.138,1271 1.425,1272 1.402,1273 0.438,1274 1.415,1275 1.064,1276 0.99,1277 1.339,1278 1.273,1279 0.414,1280 1.301,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.111,1289 5.416,1290 2.398,1291 6.929,1292 4.844,1293 8.532,1294 7.034,1295 10.182,1297 2.075,1301 6.19,1303 0.535,1308 0.109,1314 31.827,1315 64.971,1316 168.657,1317 226.714,1318 254.366,1319 258.366,1320 258.366,1321 34.127,1322 7.494,1323 56.73,1324 56.73,1325 23,1326 12.554,1327 4.585,1328 3.7,1329 40.204,1330 102,1331 112,1332 0.189,1333 196.797,1334 328.38,1335 471.944,1336 19034,1338 18.64,1339 0.69,1340 0.566,1341 18.64,1342 15.286,1343 13.258,1344 0.442,1345 0.301,1346 8.952,1347 12.962,1348 8.694,1349 7.266,1350 13.258,1351 9.031,1352 11.435,1353 0.279,1354 0.163,1355 11.435,1356 6.666,1357 9.958,1358 0.178,1359 0.087,1360 9.958,1361 4.896,1362 8.614,1363 0.115,1364 0.047,1365 8.614,1366 3.518,1367 6.997,1368 0.075,1369 0.026,1370 6.997,1371 2.389,1372 0.296,1373 81.563,1374 0.22,1375 25.935,1376 0.521,1377 142,1378 332.248,1379 147.551,1380 338.85,1381 478.7,1382 320,1383 168,1384 361.465,1385 174.495,1386 376.705,1387 545.06,1388 354,1389 5.1}
{0 CHEMBL1979516,1 1.776,2 13.813,3 3.307,4 10.939,5 124.211,6 8.645,7 0.629,8 4.065,9 4.179,10 3.78,11 3.665,12 5.299,13 3.643,14 4.534,15 4.675,16 4.152,17 4.046,18 5.81,19 4,20 4.773,21 4.954,22 4.226,23 4.148,24 5.993,25 4.096,26 4.803,27 4.976,28 4.323,29 4.141,30 6.126,31 4.087,32 4.796,33 4.975,34 4.119,35 4.09,36 6.06,37 4.015,38 4.707,39 4.9,40 4.013,41 4.006,42 6.056,43 3.922,44 4.652,45 4.859,46 3.82,47 3.935,48 5.783,49 3.842,50 4.59,51 4.808,52 3.748,53 3.834,54 5.753,55 3.737,56 0.115,57 0.862,58 8.544,59 4.433,60 13.889,61 4.911,62 0.326,63 1.341,64 16.55,65 7.833,66 28.825,67 9.061,68 0.438,69 1.631,70 23.613,71 9.6,72 60.244,73 10.8,74 0.525,75 1.67,76 27.448,77 10.105,78 59.26,79 11.506,80 0.52,81 1.571,82 29.832,83 10.792,84 77.183,85 11.306,86 0.635,87 1.452,88 26.512,89 9.505,90 96.809,91 10.894,92 0.402,93 1.351,94 24.334,95 8.813,96 54.573,97 10.502,98 0.325,99 1.242,100 21.401,101 8.714,102 41.19,103 10.914,104 29,105 49,106 0.292,107 0.648,108 0.793,109 0.862,110 0.877,111 0.883,112 3.502,113 0.919,114 -4.25,115 -4.19,116 -3.96,119 44.2,120 1,125 1,142 8,143 4,144 3,145 1,147 1,151 1,152 1,158 1,159 1,163 1,164 1,165 1,172 8,175 3,177 1,178 4,179 1,180 7,183 14,185 1,188 1,193 4,196 9,198 1,199 1,200 9,203 1,205 11,208 6,210 3,213 6,218 7,221 4,223 2,225 6,227 1,228 1,229 1,230 6,232 1,233 8,235 2,238 3,243 4,246 7,250 3,253 1,254 1,255 5,257 1,258 7,260 1,264 1,269 1,272 7,276 1808,277 21.593,278 21.593,279 21.593,280 21.593,281 21.593,282 18.715,283 22.451,284 12.756,285 22.07,286 17.241,287 17.241,288 17.241,289 17.241,290 17.241,291 12.832,292 28.471,293 5.973,294 17.962,295 3.925,296 1.754,297 0.875,298 0.452,299 0.361,300 0.322,301 4.196,305 1,306 1,307 948,308 3.808,311 75.057,312 315.489,315 142.495,319 2.211,320 39.431,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 70,332 442,333 4.742,334 3.605,335 7.007,336 4.276,337 3.308,338 4.717,339 1.656,340 11.945,341 3.202,342 4.166,343 3.563,344 6.288,345 3.798,346 2.806,347 3.753,348 1.058,349 9.361,350 2.782,351 4.074,352 3.211,353 5.724,354 3.685,355 2.717,356 3.66,357 0.247,358 7.836,359 2.618,360 3.92,361 2.946,362 5.611,363 3.523,364 2.548,365 3.382,367 7.514,368 2.479,369 3.676,370 2.664,371 5.385,372 3.298,373 2.326,374 2.994,376 6.998,377 2.25,378 3.466,379 2.36,380 4.985,381 3.047,382 2.092,383 2.778,385 5.71,386 1.992,387 3.33,388 2.283,389 4.9,390 2.823,391 1.92,392 2.616,394 5.404,395 1.717,396 3.153,397 2.143,398 4.548,399 2.708,400 1.734,401 2.344,403 4.677,404 1.662,405 2.951,406 1.705,407 4.416,408 2.503,409 1.535,410 2.079,412 4.101,413 1.478,414 2.658,415 1.51,416 4.002,417 2.172,418 1.183,419 1.73,421 2.956,422 1.166,423 2.557,424 1.275,425 3.601,426 2.042,427 1.086,428 1.582,430 2.586,431 1.028,432 2.5,433 1.111,434 3.479,435 2,436 1,437 1.5,439 2.275,440 1,441 2.26,442 1,443 3.414,444 1.898,445 0.955,446 1.184,448 2.135,449 0.886,450 2.064,451 0.864,452 2.99,453 1.592,454 0.718,455 0.929,457 1.364,458 0.611,459 1.323,460 0.629,461 2.954,462 1.018,463 0.072,464 0.085,466 0.195,467 0.068,468 15.286,469 0.478,470 0.801,471 0.025,472 45,473 1.406,474 24.5,475 0.766,476 20.5,477 0.641,478 24.521,479 0.766,480 33.314,481 0.641,482 36.149,483 1.13,484 8.948,485 0.28,486 6.509,487 0.203,488 0.121,490 0.36,494 1,496 0.724,497 0.984,498 0.711,499 0.806,500 0.613,501 0.777,502 0.526,503 0.952,504 0.809,505 0.947,506 0.514,507 0.907,508 1.089,509 0.988,510 0.883,511 0.842,512 0.999,513 0.873,514 0.892,515 1.064,516 0.956,517 1.14,518 0.962,519 0.999,520 1.273,521 1.06,522 1.369,523 1.209,524 1.286,525 1.094,526 0.784,527 0.867,528 1.209,529 1.095,530 0.749,531 1.067,532 0.904,533 0.959,534 1.175,535 1.116,536 0.838,537 1.14,538 0.713,539 0.985,540 0.888,541 1.078,542 0.725,543 1.14,544 6.5,545 0.145,546 3.556,547 2.528,548 1.899,549 1.257,550 0.727,551 0.483,552 0.263,553 0.269,554 15104,555 48536,556 2.063,557 38.5,559 10,560 1,561 1,562 5,564 3,567 1.741,568 1.92,569 3.719,570 2.376,572 1,577 92.333,578 1.776,579 3.947,580 4.825,581 5.248,582 5.34,583 5.378,584 3.269,585 4.726,586 4.968,587 3.916,588 1942.12,589 8.669,590 29196.9,592 1,595 296.423,596 1.448,597 4.925,598 0.186,599 0.006,600 0.073,601 0.05,602 0.037,603 0.029,604 0.018,605 0.014,606 0.008,607 0.01,608 0.43,610 1,611 1.043,612 170.478,613 -0.108,614 0.035,615 0.021,616 0.11,617 -0.094,618 0.087,619 0.162,620 0.041,621 0.048,622 0.029,623 0.091,624 0.013,625 -0.161,626 0.017,627 0.021,628 0.108,629 -0.11,630 0.066,631 0.055,632 -0.103,633 0.103,634 -0.096,635 0.006,636 -0.041,637 -0.223,638 -0.113,639 -0.232,640 -0.124,641 -0.165,642 -0.125,643 0.098,644 0.054,645 -0.152,646 -0.068,647 0.135,648 -0.095,649 -0.138,650 -0.061,651 -0.217,652 -0.143,653 -0.108,654 -0.15,655 0.037,656 -0.139,657 -0.007,658 -0.147,659 0.028,660 -0.118,661 2.149,662 5.361,663 0.656,664 38.219,665 1.016,666 1.125,667 3.019,668 9.117,669 0.704,670 3.584,671 3.912,672 4.19,673 4.489,674 4.691,675 4.796,676 4.905,677 5.063,678 5.1,679 5.17,680 7.998,681 0.679,682 449.55,683 3.584,684 5.13,685 5.984,686 6.872,687 7.746,688 8.643,689 9.527,690 10.429,691 11.321,692 12.226,693 9.6,697 1,700 3,703 1,708 2,709 10,710 1,713 1,714 7,716 22,723 1,727 1,734 1,735 52,737 24,738 2,739 35,741 55,742 23,743 19,744 4,745 8,746 1,748 4,749 5,753 1,754 1,762 21,763 2,767 2,772 2,776 2,780 1,781 1,783 20,784 8,785 5,786 9,787 1,792 5,797 0.75,798 2,809 1,815 1,816 3,819 1,843 3,845 1,847 1,849 1,851 32,852 1,858 1,860 3,869 1,873 1,874 3.8,877 2,881 16.667,882 9.51,883 7.083,884 3.007,886 4.284,887 1.534,888 1.023,889 6.56,890 12.306,891 3.892,892 4.525,893 5.142,894 5.793,895 6.335,896 6.692,897 7.12,898 7.586,899 7.879,900 8.23,901 1,902 51,903 11.83,905 5.113,906 8.005,907 21.938,909 17.817,911 2.505,912 80.167,915 1,916 176.567,917 173.533,918 103.715,920 50.29,921 14.96,922 31.278,923 142.256,924 226.856,925 118.675,926 8.825,927 56.138,928 116.356,929 83.551,930 35.812,931 34.081,932 184.302,934 176.567,935 245.971,936 65.25,937 31.278,939 156.213,940 85.603,943 74.011,944 155.175,945 16.786,946 31.278,947 191.527,948 154.005,949 173.533,952 176.567,953 72.202,954 101.332,955 54.032,956 114.933,957 176.567,958 168.965,959 173.533,961 0.579,962 0.338,963 0.191,964 0.102,965 23,966 11,967 0.091,968 5,969 1,970 1.095,971 4.316,972 288.908,973 0.095,974 21,975 156,977 1,981 22.028,982 9.53,983 4.859,984 1.499,985 168.965,986 16.272,987 4.204,990 1.43,991 3.052,993 86.929,994 519.065,995 48,1000 24.536,1004 -0.674,1007 52.822,1008 58.492,1009 0.311,1010 0.692,1011 0.846,1012 0.921,1013 0.937,1014 0.943,1015 5.121,1016 1.734,1017 5.974,1018 5.404,1019 4.595,1020 5.212,1021 2.084,1022 6.799,1023 4.519,1024 6.346,1025 1.535,1026 7.54,1027 4.677,1028 4.205,1029 5.075,1030 1.195,1031 7.738,1032 4.117,1033 7.664,1034 1.183,1035 9.206,1036 4.101,1037 6.196,1038 7.468,1039 2.617,1040 10.869,1041 6.063,1042 9.02,1043 1.086,1044 10.933,1045 2.956,1046 6.621,1047 8.174,1048 2.324,1049 12.687,1050 6.474,1051 10.408,1052 1,1053 12.702,1054 2.586,1055 8.092,1056 10.048,1057 3.348,1058 15.358,1059 7.909,1060 11.82,1061 0.955,1062 14.501,1063 2.275,1064 8.903,1065 11.172,1066 3.407,1067 17.556,1068 8.698,1069 13.253,1070 0.718,1071 16.324,1072 2.135,1073 10.171,1074 12.838,1075 4.204,1076 20.084,1077 9.935,1078 3.308,1079 0.072,1080 18.166,1081 1.364,1082 11.17,1083 14.176,1084 4.464,1085 22.445,1086 10.905,1087 2.806,1088 11.945,1089 20.024,1090 0.195,1091 12.364,1092 15.759,1093 5.132,1094 24.93,1095 12.069,1096 2.717,1097 9.361,1098 21.896,1099 4.717,1100 13.455,1101 17.205,1102 5.504,1103 27.358,1104 13.128,1105 2.548,1106 7.836,1107 23.778,1108 3.753,1109 14.628,1110 18.757,1111 6.1,1112 29.833,1113 14.269,1114 2.326,1115 7.514,1116 25.67,1117 3.66,1118 15.764,1119 20.256,1120 6.531,1121 32.289,1122 15.371,1123 2.092,1124 6.998,1125 27.57,1126 3.382,1127 16.935,1128 21.801,1129 7.087,1130 34.764,1131 16.509,1132 1.92,1133 5.71,1134 29.476,1135 2.994,1136 18.095,1137 23.324,1138 7.551,1139 37.232,1140 17.634,1141 14481,1142 26109,1143 23.175,1144 36.614,1145 52.636,1146 53.983,1147 54.609,1148 51.968,1149 52,1150 70.665,1151 5.923,1152 150.115,1153 49.877,1154 5.608,1155 5.605,1156 6.776,1157 5.384,1158 5.308,1159 7.717,1160 2.912,1161 19.464,1162 5.202,1163 17.214,1164 1.504,1165 1.542,1166 1.56,1167 1.485,1168 1.486,1169 2.019,1170 0.169,1171 4.289,1172 1.425,1173 4.121,1174 4.131,1175 4.342,1176 4.124,1177 8.201,1178 4.084,1179 3.922,1180 3.955,1181 3.884,1182 3.83,1183 7.432,1184 3.833,1185 3.847,1186 3.877,1187 3.806,1188 3.78,1189 7.428,1190 3.774,1191 3.6,1192 3.67,1193 3.572,1194 3.405,1195 5.179,1196 3.409,1197 3.43,1198 3.477,1199 3.389,1200 3.222,1201 4.779,1202 3.226,1203 3.286,1204 3.323,1205 3.369,1206 3.104,1207 4.661,1208 3.125,1209 3.195,1210 3.266,1211 3.102,1212 2.99,1213 4.58,1214 2.986,1215 2.912,1216 2.97,1217 2.883,1218 2.752,1219 4.252,1220 2.748,1221 0.135,1222 0.103,1223 0.2,1224 0.122,1225 0.095,1226 4.742,1227 0.135,1228 3.605,1229 0.047,1230 7.007,1231 0.341,1232 4.276,1233 0.091,1234 3.308,1235 4.717,1236 1.656,1237 11.945,1238 3.202,1239 1.962,1240 1.943,1241 2.036,1242 2.05,1243 1.18,1244 2.045,1245 1.879,1246 1.851,1247 1.979,1248 1.996,1249 1.049,1250 1.989,1251 1.832,1252 1.814,1253 1.894,1254 1.939,1255 1.036,1256 1.938,1257 1.539,1258 1.468,1259 1.808,1260 1.78,1261 0.964,1262 1.793,1263 1.406,1264 1.382,1265 1.462,1266 1.595,1267 0.648,1268 1.565,1269 1.22,1270 1.179,1271 1.35,1272 1.447,1273 0.308,1274 1.445,1275 1.041,1276 1.004,1277 1.235,1278 1.286,1279 0.241,1280 1.301,1281 0.886,1282 0.839,1283 1.181,1284 1.141,1285 0.218,1286 1.148,1287 4.263,1289 5.587,1290 2.398,1291 7.104,1292 4.727,1293 8.715,1294 6.88,1295 10.377,1297 1.855,1299 13.264,1301 6.133,1303 0.518,1305 8.079,1314 35.321,1315 92.333,1316 205.229,1317 250.913,1318 272.913,1319 277.668,1320 279.668,1321 67.775,1322 8.022,1323 109.14,1324 137.38,1325 23,1326 12.748,1327 4.644,1328 3.807,1329 52.191,1330 154,1331 146,1332 0.165,1333 220.985,1334 378.9,1335 530.963,1336 37297,1337 1.9,1338 22.665,1339 0.708,1340 0.56,1341 22.148,1342 17.924,1343 15.457,1344 0.442,1345 0.306,1346 9.783,1347 14.441,1348 9.5,1349 7.896,1350 15.517,1351 10.718,1352 13.962,1353 0.285,1354 0.16,1355 13.853,1356 7.817,1357 11.473,1358 0.177,1359 0.089,1360 11.857,1361 5.756,1362 10.079,1363 0.115,1364 0.05,1365 10.716,1366 4.385,1367 7.724,1368 0.072,1369 0.027,1370 8.447,1371 2.88,1372 0.266,1373 101.316,1374 0.208,1375 30.325,1376 0.436,1377 168,1378 566.399,1379 207.339,1380 548.926,1381 737.97,1382 510,1383 198,1384 521.513,1385 234.271,1386 538.654,1387 787.83,1388 507,1389 7.3}
{0 CHEMBL1979554,1 1.825,2 10.846,3 2.821,4 7.958,5 103.455,6 10.191,7 0.552,8 3.79,9 3.885,10 3.61,11 3.423,12 5.034,13 3.424,14 4.24,15 4.354,16 3.993,17 3.784,18 5.5,19 3.772,20 4.459,21 4.607,22 4.046,23 3.864,24 5.819,25 3.807,26 4.478,27 4.667,28 3.986,29 3.77,30 5.699,31 3.687,32 4.33,33 4.525,34 3.693,35 3.613,36 5.537,37 3.564,38 4.242,39 4.386,40 3.816,41 3.6,42 5.612,43 3.591,44 4.212,45 4.329,46 3.887,47 3.548,48 5.725,49 3.562,50 4.181,51 4.329,52 3.769,53 3.439,54 5.702,55 3.429,56 0.145,57 0.565,58 3.359,59 2.701,60 10.186,61 2.708,62 0.233,63 0.854,64 6.478,65 4.59,66 20.981,67 4.71,68 0.512,69 0.993,70 15.093,71 6.546,72 58.124,73 7.239,74 0.615,75 0.985,76 24.671,77 7.134,78 56.731,79 7.817,80 0.479,81 0.861,82 17.131,83 6.231,84 56.358,85 6.858,86 0.433,87 0.758,88 13.628,89 5.242,90 48.684,91 5.058,92 0.448,93 0.724,94 11.097,95 4.916,96 52.637,97 4.435,98 0.545,99 0.699,100 12.907,101 5.017,102 65.653,103 4.83,104 17,105 42,106 0.32,107 0.681,108 0.812,109 0.902,110 0.911,111 0.911,112 3.304,113 0.879,114 -3.17,115 -3.16,116 -3.04,119 47.4,125 1,138 2,142 6,143 2,144 3,145 1,152 1,156 2,168 1,172 4,175 1,180 5,183 9,187 1,188 2,191 2,192 1,193 5,196 5,200 1,203 2,205 3,208 3,213 3,216 1,217 1,218 3,225 6,230 4,238 6,243 3,246 2,249 1,250 3,253 2,254 1,258 4,263 1,264 1,267 1,269 1,272 8,276 1054,277 17.447,278 17.447,279 17.447,280 17.447,281 17.447,282 15.051,283 17.502,284 9.999,285 17.813,286 14.267,287 14.267,288 14.267,289 14.267,290 14.267,291 10.522,292 25.951,293 4.731,294 14.935,295 3.423,296 1.366,297 0.619,298 0.105,299 0.053,300 0.053,301 3.996,302 2,304 1,305 1,306 1,307 620,308 2.828,310 63.676,311 64.517,312 158.273,315 110.156,319 1.716,320 31.87,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 56.667,332 282,333 4.653,334 3.967,335 6.951,336 4.306,337 3.299,338 4.369,339 0.657,340 11.622,341 3.323,342 4.419,343 3.265,344 6.193,345 3.915,346 2.933,347 4.15,348 0.4,349 9.256,350 2.88,351 4.227,352 2.972,353 6.058,354 3.782,355 2.849,356 3.877,358 8.702,359 2.628,360 3.638,361 2.831,362 5.344,363 3.242,364 2.276,365 3.042,367 6.842,368 2.194,369 3.467,370 2.753,371 4.987,372 3.017,373 2.132,374 2.778,376 5.837,377 1.818,378 3.061,379 2.553,380 4.916,381 2.619,382 1.662,383 2.301,385 4.84,386 1.564,387 3.034,388 2.26,389 4.804,390 2.518,391 1.534,392 2.107,394 4.45,395 1.507,396 2.873,397 1.987,398 4.362,399 2.46,400 1.44,401 1.968,403 4.166,404 1.457,405 2.817,406 1.534,407 4.173,408 2.349,409 1.414,410 1.812,412 3.722,413 1.238,414 2.585,415 1.368,416 3.456,417 2.059,418 1.088,419 1.609,421 2.441,422 1.052,423 2.086,424 1.097,425 3.337,426 1.715,427 0.734,428 0.913,430 1.734,431 0.696,432 1.943,433 0.838,434 3.098,435 1.445,436 0.481,437 0.693,439 1.166,440 0.46,441 1.529,442 0.488,443 2.908,444 1.13,445 0.16,446 0.207,448 0.387,449 0.142,450 1.12,451 0.257,452 2.543,453 0.708,454 -0.197,455 -0.245,457 -0.495,458 -0.164,459 0.817,460 0.255,461 2.359,462 0.411,463 -0.514,464 -0.621,466 -1.242,467 -0.293,468 12.695,469 0.488,470 0.733,471 0.028,472 36,473 1.385,474 19,475 0.731,476 17,477 0.654,478 18.756,479 0.721,480 26.305,481 0.692,482 25.922,483 0.997,484 7.285,485 0.28,486 5.24,487 0.202,488 0.165,490 0.394,496 0.662,497 0.976,498 0.502,499 0.673,500 0.544,501 0.662,502 0.781,503 1.274,504 0.622,505 0.902,506 0.641,507 0.876,508 0.733,509 1.167,510 1.01,511 1.121,512 0.589,513 1.155,514 0.886,515 1.032,516 1.054,517 1.088,518 0.819,519 1.153,520 1.068,521 0.779,522 0.808,523 0.835,524 1.19,525 0.897,526 1.336,527 0.934,528 0.891,529 0.912,530 1.522,531 0.869,532 1.355,533 1.208,534 0.836,535 1.115,536 1.681,537 0.991,538 1.303,539 0.85,540 0.888,541 0.921,542 1.717,543 0.929,544 5.5,545 0.12,546 3.556,547 2.444,548 1.364,549 0.809,550 0.673,551 0.516,552 0.351,553 0.152,554 8628,555 31508,556 2.101,557 31.6,559 8,561 1,562 3,567 1.69,568 1.95,569 3.409,570 1.012,571 1,572 1,577 69.343,578 1.825,579 3.882,580 4.629,581 5.143,582 5.195,583 5.195,584 2.907,585 4.085,586 4.674,587 3.579,588 1163.11,589 8.092,590 14784.9,591 1,592 1,594 1,595 199.421,596 1.46,597 4.624,598 0.19,599 0.008,600 0.089,601 0.064,602 0.044,603 0.028,604 0.021,605 0.016,606 0.013,607 0.007,608 0.48,609 0.33,610 1,611 0.596,612 128.106,613 -0.066,614 0.136,615 -0.01,616 0.098,617 -0.059,618 0.079,619 -0.098,620 -0.213,621 -0.003,622 -0.075,623 -0.035,624 -0.063,625 0.114,626 -0.172,627 -0.107,628 -0.185,629 0.174,630 -0.216,631 0.028,632 -0.053,633 -0.007,634 -0.085,635 -0.02,636 -0.113,637 -0.111,638 0.185,639 0.013,640 0.153,641 -0.121,642 0.153,643 -0.22,644 0.033,645 -0.058,646 0.037,647 -0.183,648 0.061,649 -0.107,650 -0.249,651 -0.016,652 -0.188,653 -0.098,654 -0.121,655 0.027,656 0.109,657 0.022,658 0.055,659 -0.053,660 0.014,661 2.22,662 4.941,663 0.731,664 22.112,665 1.03,666 1.115,667 1.942,668 3.77,669 0.749,670 3.401,671 3.761,672 4.06,673 4.263,674 4.394,675 4.466,676 4.585,677 4.762,678 4.828,679 4.883,680 6.493,681 0.732,682 387.24,683 3.401,684 4.963,685 5.832,686 6.723,687 7.605,688 8.499,689 9.387,690 10.283,691 11.175,692 12.073,693 10.5,695 1,698 1,701 1,703 1,708 2,709 7,710 1,711 1,714 4,716 16,728 1,734 2,735 38,737 19,738 2,739 29,741 41,742 18,743 13,744 6,745 6,746 4,748 4,749 5,750 2,762 17,763 1,767 3,772 2,776 4,779 1,780 1,783 12,784 5,785 3,786 8,787 2,792 4,797 0.75,798 2,807 1,814 1,815 1,816 2,819 1,827 2,834 2,838 1,843 3,848 2,851 26,858 1,860 2,873 2,874 5.3,877 2,881 13.333,882 6.902,883 5.583,884 2.119,886 3.336,887 1.446,888 1.042,889 4.445,890 10.82,891 3.714,892 4.366,893 4.984,894 5.496,895 5.917,896 6.157,897 6.511,898 6.966,899 7.137,900 7.46,901 1,902 38,903 9.582,905 4.247,906 7.996,907 17.729,909 14.761,911 2.496,912 64.889,916 105.94,917 101.452,918 69.348,919 78.297,920 50.29,923 101.452,924 234.527,925 69.348,927 2.106,928 74.868,929 112.515,930 41.227,931 2.144,932 94.169,933 78.297,934 105.94,935 170.799,936 50.29,937 78.297,939 105.94,940 50.29,943 45.827,944 84.785,945 118.485,947 105.94,948 119.637,949 179.749,952 105.94,953 35.547,954 65.905,955 52.685,956 145.25,957 105.94,958 119.637,959 179.749,961 0.595,962 0.357,963 0.181,964 0.087,965 22,966 10,967 0.122,968 5,969 1,970 1.105,971 3.89,972 218.611,973 0.105,974 19,975 120.211,981 17.095,982 6.76,983 3.245,984 1.785,985 102.974,986 12.282,987 3.955,988 2.855,991 2.488,993 52.685,994 405.326,995 40,1000 23.855,1004 -0.625,1007 39.127,1008 42.376,1009 0.348,1010 0.74,1011 0.882,1012 0.98,1013 0.99,1014 0.99,1015 4.963,1016 1.44,1017 5.838,1018 4.45,1019 4.443,1020 5.053,1021 0.781,1022 6.676,1023 4.365,1024 6.203,1025 1.414,1026 7.42,1027 4.166,1028 4.111,1029 4.966,1031 7.612,1032 3.985,1033 7.54,1034 1.088,1035 9.1,1036 3.722,1037 6.089,1038 7.329,1039 0.354,1040 10.769,1041 5.974,1042 8.915,1043 0.734,1044 10.839,1045 2.441,1046 6.594,1047 8.074,1049 12.56,1050 6.471,1051 10.325,1052 0.481,1053 12.616,1054 1.734,1055 8.05,1056 9.903,1057 0.157,1058 15.249,1059 7.928,1060 11.757,1061 0.16,1062 14.42,1063 1.166,1064 8.923,1065 11.019,1067 17.395,1068 8.812,1069 13.208,1070 -0.197,1071 16.247,1072 0.387,1073 10.186,1074 12.635,1075 0.069,1076 19.927,1077 10.079,1078 3.299,1079 -0.514,1080 18.091,1081 -0.495,1082 11.221,1083 13.923,1085 22.231,1086 11.13,1087 2.933,1088 11.622,1089 19.948,1090 -1.242,1091 12.414,1092 15.446,1093 0.03,1094 24.707,1095 12.331,1096 2.849,1097 9.256,1098 21.818,1099 4.369,1100 13.521,1101 16.816,1103 27.084,1104 13.455,1105 2.276,1106 8.702,1107 23.696,1108 4.15,1109 14.692,1110 18.298,1111 0.013,1112 29.54,1113 14.638,1114 2.132,1115 6.842,1116 25.583,1117 3.877,1118 15.832,1119 19.708,1121 31.953,1122 15.795,1123 1.662,1124 5.837,1125 27.477,1126 3.042,1127 16.998,1128 21.172,1129 0.006,1130 34.404,1131 16.976,1132 1.534,1133 4.84,1134 29.376,1135 2.778,1136 18.155,1137 22.604,1139 36.835,1140 18.149,1141 8121,1142 15644,1143 19.304,1144 28.455,1145 44.801,1146 46.683,1147 45.865,1148 44.368,1149 44.004,1150 59.651,1151 2.115,1152 130.331,1153 41.917,1154 5.6,1155 5.967,1156 6.462,1157 5.354,1158 5.299,1159 7.369,1160 1.315,1161 19.622,1162 5.323,1163 13.068,1164 1.545,1165 1.61,1166 1.582,1167 1.53,1168 1.517,1169 2.057,1170 0.073,1171 4.494,1172 1.445,1173 4.107,1174 4.148,1175 4.106,1176 3.997,1177 7.501,1178 4.009,1179 3.957,1180 3.979,1181 4.056,1182 3.887,1183 7.349,1184 3.882,1185 3.862,1186 3.87,1187 3.891,1188 3.75,1189 5.098,1190 3.774,1191 3.373,1192 3.443,1193 3.595,1194 3.172,1195 5.014,1196 3.195,1197 3.242,1198 3.3,1199 3.306,1200 3.083,1201 4.631,1202 3.076,1203 2.963,1204 3.026,1205 3.211,1206 2.827,1207 4.523,1208 2.825,1209 2.879,1210 2.922,1211 2.856,1212 2.797,1213 4.291,1214 2.769,1215 2.705,1216 2.745,1217 2.841,1218 2.508,1219 4.074,1220 2.512,1221 0.16,1222 0.137,1223 0.24,1224 0.148,1225 0.114,1226 4.653,1227 0.151,1228 3.967,1229 0.023,1230 6.951,1231 0.401,1232 4.306,1233 0.115,1234 3.299,1235 4.369,1236 0.657,1237 11.622,1238 3.323,1239 1.955,1240 1.933,1241 2.029,1242 2.07,1243 1.173,1244 2.056,1245 1.902,1246 1.884,1247 1.974,1248 1.981,1249 1.146,1250 1.988,1251 1.774,1252 1.769,1253 1.805,1254 1.893,1255 0.917,1256 1.875,1257 1.31,1258 1.229,1259 1.464,1260 1.639,1261 0.605,1262 1.591,1263 1.203,1264 1.144,1265 1.427,1266 1.429,1267 0.407,1268 1.437,1269 1.034,1270 0.985,1271 1.191,1272 1.24,1273 0.267,1274 1.228,1275 0.868,1276 0.824,1277 1.098,1278 1.017,1279 0.168,1280 1.06,1281 0.721,1282 0.634,1283 1.013,1284 0.995,1286 1.01,1287 4.078,1289 5.46,1290 2.398,1291 7.043,1292 4.595,1293 8.712,1294 6.581,1295 10.422,1298 12.011,1303 0.302,1305 5.981,1314 27.804,1315 69.343,1316 147.505,1317 175.911,1318 195.421,1319 197.421,1320 197.421,1321 48.079,1322 7.484,1323 86.88,1324 86.88,1325 21,1326 12.597,1327 4.322,1328 3.585,1329 38.093,1330 100,1331 100,1332 0.182,1333 176.42,1334 303.42,1335 422.226,1336 18881,1337 5.3,1338 18.259,1339 0.702,1340 0.568,1341 19.259,1342 14.78,1343 12.525,1344 0.432,1345 0.293,1346 7.703,1347 11.534,1348 7.507,1349 6.157,1350 13.102,1351 8.496,1352 11.645,1353 0.277,1354 0.158,1355 12.424,1356 6.638,1357 10.214,1358 0.179,1359 0.082,1360 10.829,1361 4.678,1362 8.132,1363 0.116,1364 0.044,1365 8.828,1366 3.106,1367 5.953,1368 0.074,1369 0.024,1370 6.312,1371 1.887,1372 0.287,1373 84.471,1374 0.228,1375 25.273,1376 0.493,1377 142,1378 460.522,1379 184.129,1380 507.992,1381 668.5,1382 470,1383 170,1384 443.041,1385 204.445,1386 468.835,1387 687.9,1388 441,1389 5.1}
{0 CHEMBL1979577,1 1.549,2 14,3 4.31,4 18.576,5 136.903,6 7.856,7 0.611,8 4.146,9 4.272,10 3.789,11 3.771,12 5.312,13 3.722,14 4.619,15 4.78,16 4.172,17 4.164,18 5.78,19 4.092,20 4.853,21 5.031,22 4.202,23 4.293,24 5.99,25 4.193,26 4.945,27 5.181,28 4.221,29 4.262,30 5.993,31 4.142,32 4.801,33 4.991,34 4.103,35 4.17,36 5.95,37 4.069,38 4.795,39 4.997,40 4.114,41 4.149,42 5.942,43 4.044,44 4.81,45 5.025,46 3.917,47 4.125,48 5.86,49 3.996,50 4.688,51 4.906,52 3.782,53 4.014,54 5.724,55 3.876,56 0.066,57 0.856,58 11.537,59 5.002,60 15.222,61 6.33,62 0.225,63 1.338,64 21.188,65 9.041,66 29.516,67 11.646,68 0.198,69 1.665,70 26.475,71 10.6,72 43.004,73 13.541,74 0.203,75 1.747,76 35.083,77 13.027,78 43.008,79 17.249,80 0.242,81 1.544,82 30.091,83 10.899,84 45.734,85 13.091,86 0.246,87 1.551,88 29.21,89 10.588,90 47.061,91 13.261,92 0.331,93 1.579,94 34.361,95 11.208,96 49.426,97 13.531,98 0.16,99 1.337,100 23.675,101 10.07,102 31.166,103 13.571,104 40,105 52,106 0.249,107 0.638,108 0.766,109 0.827,110 0.84,111 0.846,112 3.531,113 0.942,114 -4.85,115 -4.76,116 -4.47,119 44.8,120 3,130 1,141 2,142 8,143 5,144 2,145 1,147 1,151 1,152 1,159 1,163 2,164 2,165 2,172 13,175 2,177 1,178 3,179 1,180 8,183 21,185 4,188 2,193 6,196 15,198 2,200 7,205 11,208 11,210 4,213 6,218 8,221 6,223 3,225 7,227 1,228 1,230 9,233 13,235 5,238 1,243 3,246 14,248 1,250 1,253 1,254 2,255 5,257 3,258 14,260 3,262 1,264 1,269 4,272 12,274 2,276 2024,277 21.618,278 21.618,279 21.618,280 21.618,281 21.618,282 18.649,283 23.654,284 12.517,285 21.984,286 17.787,287 17.787,288 17.787,289 17.787,290 17.787,291 13.209,292 31.4,293 5.98,294 18.382,295 4.309,296 1.884,297 1.087,298 0.707,299 0.625,300 0.591,301 4.222,306 1,307 987,308 4.183,311 78.382,312 327.961,315 148.776,319 2.303,320 25.673,323 0.75,324 0.67,325 0.83,326 0.5,327 0.5,328 0.83,329 1,330 0.73,331 69.5,332 462,333 4.736,334 3.714,335 6.973,336 4.255,337 3.289,338 4.712,339 1.656,340 11.822,341 3.18,342 4.339,343 3.563,344 6.399,345 4.076,346 3.098,347 3.752,348 0.769,349 9.965,350 3.027,351 4.11,352 3.348,353 6.073,354 3.733,355 2.759,356 3.661,357 0.247,358 8.744,359 2.683,360 4.053,361 2.833,362 5.629,363 3.655,364 2.671,365 3.473,367 7.805,368 2.624,369 3.817,370 2.738,371 5.532,372 3.446,373 2.466,374 3.151,376 7.241,377 2.408,378 3.621,379 2.546,380 5.373,381 3.193,382 2.218,383 2.931,385 6.752,386 2.163,387 3.465,388 2.288,389 4.903,390 3.053,391 2.089,392 2.772,394 5.71,395 2.01,396 3.294,397 2.136,398 4.714,399 2.774,400 1.82,401 2.52,403 4.962,404 1.741,405 3.151,406 1.886,407 4.504,408 2.649,409 1.68,410 2.313,412 4.59,413 1.593,414 2.986,415 1.24,416 4.187,417 2.181,418 1.184,419 1.732,421 3.233,422 1.179,423 2.658,424 1.221,425 3.683,426 2.065,427 1.102,428 1.649,430 2.586,431 1.049,432 2.559,433 1.038,434 3.479,435 2,436 1,437 1.514,439 2.386,440 1,441 2.5,442 1,443 3.414,444 1.853,445 0.956,446 1.5,448 2.275,449 0.843,450 2.261,451 0.789,452 3.33,453 1.552,454 0.653,455 1.018,457 1.565,458 0.576,459 1.356,460 0.625,461 2.96,462 1.018,463 0.072,464 0.085,466 0.195,467 0.068,468 16.167,469 0.49,470 1.066,471 0.032,472 45.25,473 1.371,474 25,475 0.758,476 20.25,477 0.614,478 28.459,479 0.862,480 33.633,481 0.58,482 35.47,483 1.075,484 8.663,485 0.263,486 7.03,487 0.213,488 0.163,489 0.031,490 0.309,496 0.97,497 0.98,498 0.79,499 0.788,500 0.918,501 0.797,502 0.451,503 0.929,504 0.767,505 0.864,506 0.446,507 0.815,508 1.201,509 1.109,510 1.037,511 1.017,512 1.165,513 1.098,514 0.742,515 1.047,516 0.798,517 0.954,518 0.718,519 0.86,520 1.526,521 1.119,522 1.262,523 1.134,524 1.454,525 1.028,526 1.253,527 1.132,528 1.085,529 1.075,530 1.251,531 1.006,532 1.47,533 1.055,534 1.587,535 1.261,536 1.317,537 1.094,538 0.513,539 1.118,540 0.931,541 1.17,542 0.602,543 1.219,544 8.5,545 0.169,546 3.556,547 2.278,548 2.064,549 1.337,550 0.78,551 0.651,552 0.349,553 0.313,554 16567,555 42870,556 2.036,557 43.1,558 3,559 8,560 1,561 1,562 6,564 6,567 1.748,568 1.877,569 3.731,570 3.096,577 89.845,578 1.549,579 3.974,580 4.771,581 5.151,582 5.233,583 5.267,584 3.257,585 4.779,586 5.011,587 3.972,588 2097.08,589 8.757,590 32558.7,595 339.763,596 1.628,597 4.954,598 0.236,599 0.006,600 0.068,601 0.046,602 0.042,603 0.03,604 0.018,605 0.017,606 0.011,607 0.01,608 0.484,609 0.17,610 1,611 1.059,612 178.026,613 -0.144,614 0.134,615 0.03,616 0.137,617 -0.208,618 0.097,619 0.326,620 0.117,621 0.153,622 0.125,623 0.232,624 0.137,625 -0.209,626 -0.057,627 -0.144,628 -0.08,629 -0.219,630 -0.173,631 0.125,632 -0.088,633 0.247,634 0.078,635 0.122,636 0.155,637 -0.2,638 -0.081,639 -0.143,640 -0.079,641 -0.085,642 -0.076,643 -0.063,644 -0.101,645 -0.015,646 -0.052,647 -0.034,648 -0.049,649 -0.296,650 0.006,651 -0.349,652 -0.15,653 -0.237,654 -0.121,655 0.171,656 -0.179,657 -0.089,658 -0.233,659 0.102,660 -0.225,661 1.964,662 5.329,663 0.636,664 42.081,665 0.996,666 1.117,667 3.622,668 13.117,669 0.702,670 3.611,671 3.97,672 4.174,673 4.466,674 4.691,675 4.787,676 4.905,677 5.1,678 5.136,679 5.198,680 8.301,681 0.66,682 455.63,683 3.611,684 5.176,685 6.014,686 6.909,687 7.768,688 8.666,689 9.537,690 10.438,691 11.319,692 12.222,693 8.6,694 1,697 1,700 2,703 1,708 2,709 10,710 1,713 1,714 7,716 22,727 1,735 58,737 24,738 2,739 36,741 61,742 26,743 19,744 4,745 8,748 4,749 5,753 1,754 3,761 2,762 20,763 4,764 1,767 1,772 1,776 1,783 25,784 6,785 6,786 7,787 1,792 5,797 0.75,798 1,809 1,815 1,816 3,819 1,823 2,836 1,843 3,845 1,847 3,851 33,852 2,860 2,865 1,866 1,869 1,872 2,874 1.7,877 1,881 17.583,882 11.283,883 7.014,884 3.2,886 4.781,887 1.591,888 1.003,889 6.483,890 12.872,891 3.932,892 4.577,893 5.188,894 5.829,895 6.4,896 6.788,897 7.248,898 7.749,899 8.074,900 8.432,901 1,902 50,903 12.137,905 5.134,906 7.735,907 23.056,909 18.782,911 2.235,912 73.75,916 223.651,917 212.499,918 118.601,920 25.145,922 31.278,923 181.222,924 248.796,925 118.601,926 26.476,927 68.919,928 116.356,929 53.702,930 29.876,931 53.182,932 231.386,934 223.651,935 299.823,936 25.145,937 31.278,939 153.024,940 95.772,943 104.442,944 144.535,945 50.847,946 31.278,947 223.651,948 143.746,949 212.499,952 223.651,953 59.456,954 118.982,955 70.083,956 107.725,957 223.651,958 143.746,959 212.499,961 0.593,962 0.318,963 0.171,964 0.096,965 25,966 12,967 0.049,968 3,969 1,970 1.095,971 4.394,972 299.478,973 0.095,974 21,975 154.465,977 1,981 22.942,982 9.326,983 5.581,984 1.855,985 143.746,986 19.003,987 4.345,990 1.574,991 5.725,993 101.816,994 579.896,995 50,1000 12.329,1004 -0.297,1007 57.749,1008 64.773,1009 0.264,1010 0.678,1011 0.815,1012 0.879,1013 0.893,1014 0.899,1015 5.19,1016 1.82,1017 6.043,1018 5.71,1019 4.654,1020 5.265,1021 1.944,1022 6.876,1023 4.591,1024 6.449,1025 1.68,1026 7.619,1027 4.962,1028 4.443,1029 5.147,1030 1.195,1031 7.968,1032 4.368,1033 7.786,1034 1.184,1035 9.297,1036 4.59,1037 6.315,1038 7.535,1039 2.476,1040 10.97,1041 6.2,1042 9.155,1043 1.102,1044 11.035,1045 3.233,1046 6.858,1047 8.215,1048 2.324,1049 12.853,1050 6.722,1051 10.553,1052 1,1053 12.811,1054 2.586,1055 8.268,1056 10.105,1057 3.26,1058 15.453,1059 8.1,1060 11.971,1061 0.956,1062 14.614,1063 2.386,1064 9.14,1065 11.197,1066 3.407,1067 17.66,1068 8.945,1069 13.407,1070 0.653,1071 16.438,1072 2.275,1073 10.382,1074 12.874,1075 4.159,1076 20.144,1077 10.158,1078 3.289,1079 0.072,1080 18.278,1081 1.565,1082 11.407,1083 14.189,1084 4.464,1085 22.489,1086 11.151,1087 3.098,1088 11.822,1089 20.132,1090 0.195,1091 12.588,1092 15.776,1093 5.112,1094 24.943,1095 12.303,1096 2.759,1097 9.965,1098 21.997,1099 4.712,1100 13.685,1101 17.208,1102 5.504,1103 27.349,1104 13.366,1105 2.671,1106 8.744,1107 23.871,1108 3.752,1109 14.847,1110 18.761,1111 6.091,1112 29.799,1113 14.498,1114 2.466,1115 7.805,1116 25.753,1117 3.661,1118 15.978,1119 20.252,1120 6.531,1121 32.234,1122 15.596,1123 2.218,1124 7.241,1125 27.642,1126 3.473,1127 17.138,1128 21.796,1129 7.083,1130 34.687,1131 16.724,1132 2.089,1133 6.752,1134 29.537,1135 3.151,1136 18.287,1137 23.316,1138 7.551,1139 37.136,1140 17.84,1141 15922,1142 25792,1143 23.463,1144 40.745,1145 56.212,1146 55.53,1147 55.64,1148 54.004,1149 54.112,1150 73.568,1151 5.345,1152 159.663,1153 52.29,1154 5.602,1155 5.714,1156 6.529,1157 5.361,1158 5.289,1159 7.712,1160 2.912,1161 19.207,1162 5.18,1163 19.398,1164 1.561,1165 1.543,1166 1.546,1167 1.5,1168 1.503,1169 2.044,1170 0.148,1171 4.435,1172 1.453,1173 4.119,1174 4.13,1175 4.34,1176 4.128,1177 7.431,1178 4.087,1179 3.934,1180 3.968,1181 3.885,1182 3.861,1183 5.202,1184 3.857,1185 3.85,1186 3.881,1187 3.806,1188 3.79,1189 5.07,1190 3.784,1191 3.707,1192 3.764,1193 3.646,1194 3.604,1195 4.791,1196 3.594,1197 3.446,1198 3.494,1199 3.439,1200 3.246,1201 4.747,1202 3.254,1203 3.285,1204 3.328,1205 3.381,1206 3.138,1207 4.681,1208 3.147,1209 3.15,1210 3.227,1211 3.097,1212 3,1213 4.387,1214 2.98,1215 3.142,1216 3.217,1217 2.962,1218 2.975,1219 4.212,1220 2.967,1221 0.132,1222 0.103,1223 0.194,1224 0.118,1225 0.091,1226 4.736,1227 0.131,1228 3.714,1229 0.046,1230 6.973,1231 0.328,1232 4.255,1233 0.088,1234 3.289,1235 4.712,1236 1.656,1237 11.822,1238 3.18,1239 1.965,1240 1.946,1241 2.044,1242 2.048,1243 1.176,1244 2.046,1245 1.913,1246 1.884,1247 2.028,1248 2.007,1249 1.131,1250 2.014,1251 1.849,1252 1.83,1253 1.942,1254 1.939,1255 1.046,1256 1.947,1257 1.667,1258 1.616,1259 1.829,1260 1.842,1261 0.976,1262 1.851,1263 1.413,1264 1.397,1265 1.561,1266 1.615,1267 0.645,1268 1.589,1269 1.273,1270 1.221,1271 1.448,1272 1.426,1273 0.611,1274 1.469,1275 1.143,1276 1.077,1277 1.417,1278 1.371,1279 0.469,1280 1.394,1281 1.019,1282 0.978,1283 1.334,1284 1.252,1285 0.301,1286 1.308,1287 4.29,1289 5.638,1290 2.398,1291 7.159,1292 4.727,1293 8.76,1294 6.88,1295 10.409,1297 5.698,1301 12.229,1305 5.695,1310 -0.595,1313 6.189,1314 38.277,1315 89.845,1316 230.505,1317 276.743,1318 298.743,1319 303.498,1320 305.498,1321 58.33,1322 8.091,1323 106.06,1324 134.3,1325 23,1326 12.747,1327 4.644,1328 3.907,1329 54.679,1330 164,1331 156,1332 0.162,1333 241.64,1334 413.3,1335 581.362,1336 41110,1338 23.587,1339 0.715,1340 0.591,1341 23.941,1342 19.508,1343 15.692,1344 0.436,1345 0.314,1346 10.418,1347 14.903,1348 9.918,1349 8.346,1350 16.147,1351 11.303,1352 15.392,1353 0.296,1354 0.179,1355 15.916,1356 9.288,1357 11.356,1358 0.177,1359 0.092,1360 12.075,1361 5.887,1362 9.752,1363 0.113,1364 0.051,1365 10.694,1366 4.4,1367 7.858,1368 0.073,1369 0.027,1370 8.672,1371 2.936,1372 0.261,1373 101.083,1374 0.206,1375 31.191,1376 0.424,1377 176,1378 453.531,1379 208.934,1380 481.805,1381 665.77,1382 448,1383 204,1384 485.698,1385 234.702,1386 519.181,1387 750.67,1388 485,1389 5.4}
{0 CHEMBL1979718,1 1.519,2 10.577,3 3.61,4 13.034,5 102.598,6 7.676,7 0.724,8 3.918,9 4.045,10 3.521,11 3.479,12 5.059,13 3.465,14 4.414,15 4.589,16 3.881,17 3.867,18 5.523,19 3.833,20 4.583,21 4.766,22 3.88,23 3.981,24 5.639,25 3.918,26 4.724,27 4.93,28 3.827,29 4.021,30 5.785,31 3.925,32 4.748,33 4.994,34 3.817,35 4.003,36 5.728,37 3.898,38 4.697,39 4.93,40 3.776,41 3.967,42 5.712,43 3.863,44 4.608,45 4.837,46 3.593,47 3.848,48 5.612,49 3.732,50 4.533,51 4.805,52 3.352,53 3.617,54 5.483,55 3.482,56 0.045,57 0.707,58 8.575,59 3.701,60 7.142,61 4.857,62 0.226,63 1.116,64 15.793,65 6.261,66 19.381,67 8.474,68 0.143,69 1.253,70 19.103,71 7.694,72 20.728,73 10.31,74 0.288,75 1.367,76 23.348,77 8.883,78 39.525,79 12.115,80 0.209,81 1.332,82 25.78,83 10.09,84 33.397,85 14.222,86 0.241,87 1.296,88 23.885,89 9.273,90 32.671,91 12.911,92 0.183,93 1.185,94 21.649,95 8.159,96 34.375,97 11.266,98 0.291,99 1.044,100 22.163,101 7.525,102 41.334,103 10.659,104 10,105 41,106 0.258,107 0.621,108 0.75,109 0.848,110 0.858,111 0.858,112 3.304,113 0.873,114 -5.07,115 -4.97,116 -4.66,119 44.4,120 2,125 1,142 8,143 4,150 1,152 2,158 1,160 1,168 1,172 12,174 1,175 6,178 4,180 1,183 13,188 7,192 1,193 2,196 10,199 2,200 7,205 2,208 9,213 6,216 1,218 2,221 14,224 1,225 5,228 1,230 3,233 15,238 3,243 3,246 12,249 2,250 3,255 2,258 5,264 4,267 1,269 3,272 1,276 978,277 17.706,278 17.706,279 17.706,280 17.706,281 17.706,282 14.987,283 17.353,284 10.445,285 17.984,286 14.307,287 14.307,288 14.307,289 14.307,290 14.307,291 10.297,292 24.385,293 4.99,294 14.747,295 3.972,296 1.834,297 1.073,298 0.495,299 0.434,300 0.434,301 3.999,304 1,305 1,306 1,307 603,308 3,311 132.397,312 147.357,315 103.823,319 1.962,320 16.713,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 55.5,332 275,333 4.751,334 3.585,335 6.981,336 4.294,337 3.325,338 4.724,339 1.058,340 11.784,341 3.228,342 4.142,343 3.415,344 6.074,345 3.794,346 2.809,347 3.632,348 0.522,349 8.778,350 2.768,351 3.912,352 2.746,353 5.679,354 3.516,355 2.53,356 3.464,358 7.524,359 2.504,360 3.846,361 2.567,362 5.533,363 3.372,364 2.431,365 3.39,367 6.951,368 2.265,369 3.458,370 2.314,371 5.32,372 3.032,373 2.048,374 2.828,376 6.493,377 2.012,378 3.4,379 2.154,380 5.235,381 2.958,382 1.989,383 2.722,385 6.258,386 1.918,387 2.886,388 1.753,389 4.11,390 2.442,391 1.445,392 2.049,394 3.532,395 1.44,396 2.835,397 1.541,398 3.825,399 2.362,400 1.39,401 1.922,403 3.139,404 1.346,405 2.531,406 1.318,407 3.574,408 2.014,409 1.048,410 1.508,412 2.488,413 1.007,414 2.5,415 1.042,416 3.346,417 2,418 1,419 1.5,421 2.266,422 1,423 2.357,424 1,425 3.247,426 1.893,427 0.906,428 1.277,430 2.136,431 0.889,432 2.118,433 0.77,434 3.121,435 1.554,436 0.618,437 0.927,439 1.372,440 0.577,441 1.487,442 0.618,443 3,444 1.308,445 0.329,446 0.365,448 0.798,449 0.321,450 1.098,451 0.324,452 2.707,453 0.753,454 -0.221,455 -0.275,457 -0.568,458 -0.214,459 0.971,460 -0.009,461 2.477,462 0.547,463 -0.439,464 -0.567,466 -1.094,467 -0.427,468 12.333,469 0.474,470 0.627,471 0.024,472 37,473 1.423,474 20,475 0.769,476 17,477 0.654,478 19.107,479 0.735,480 26.667,481 0.593,482 26.192,483 1.007,484 7.514,485 0.289,486 5.117,487 0.197,488 0.108,490 0.357,496 0.75,497 1.212,498 0.753,499 0.985,500 0.597,501 0.884,502 0.615,503 0.902,504 0.769,505 0.873,506 0.538,507 0.844,508 0.953,509 1.094,510 1.019,511 1.112,512 0.883,513 1.081,514 1.006,515 1.048,516 1.176,517 1.166,518 1.011,519 1.192,520 0.643,521 0.917,522 0.791,523 0.968,524 0.787,525 0.918,526 0.76,527 0.95,528 0.93,529 1.033,530 0.959,531 1.018,532 1.051,533 1.099,534 1.149,535 1.175,536 1.192,537 1.182,538 1.135,539 0.899,540 1.038,541 0.96,542 1.439,543 0.995,544 4.5,545 0.077,546 2.889,547 2.333,548 1.319,549 1.132,550 0.537,551 0.333,552 0.316,553 0.135,554 8249,555 21592,556 2.124,557 42.2,558 3,559 10,561 1,562 2,563 3,567 1.691,568 2,569 3.367,570 0.251,572 1,577 68.375,578 1.519,579 3.658,580 4.419,581 4.997,582 5.058,583 5.058,584 2.969,585 4.085,586 4.666,587 3.541,588 1150.82,589 8.09,590 14157.8,592 1,594 1,595 247.133,596 1.37,597 4.637,598 0.155,599 0.006,600 0.07,601 0.058,602 0.037,603 0.031,604 0.015,605 0.012,606 0.015,607 0.007,608 0.407,609 0.17,610 1,611 0.54,612 126.844,613 0.02,614 -0.061,615 0.054,616 -0.01,617 -0.047,618 0.018,619 0.246,620 0.197,621 0.112,622 0.094,623 0.109,624 0.082,625 -0.075,626 -0.058,627 -0.126,628 -0.12,629 -0.026,630 -0.127,631 -0.02,632 -0.057,633 -0.237,634 -0.178,635 0.035,636 -0.226,637 0.143,638 -0.023,639 0.195,640 0.069,641 0.128,642 0.128,643 0.094,644 -0.02,645 0.039,646 -0.015,647 0.014,648 -0.001,649 -0.126,650 -0.155,651 -0.182,652 -0.175,653 -0.154,654 -0.186,655 -0.024,656 -0.01,657 0.018,658 0.027,659 -0.151,660 0.02,661 1.889,662 5.438,663 0.769,664 25.71,665 1,666 1.125,667 3.842,668 14.758,669 0.685,670 3.401,671 3.738,672 4.043,673 4.317,674 4.511,675 4.605,676 4.779,677 4.913,678 4.956,679 4.977,680 6.251,681 0.656,682 345.44,683 3.401,684 4.949,685 5.814,686 6.701,687 7.586,688 8.482,689 9.378,690 10.281,691 11.183,692 12.09,693 11.1,700 1,701 2,703 2,708 2,709 9,710 2,711 1,714 5,715 1,716 21,723 1,735 45,737 22,738 2,739 29,741 48,742 20,743 16,744 4,745 8,746 1,748 4,749 5,754 2,762 17,763 3,767 1,772 1,776 1,779 1,780 1,783 19,784 4,785 2,786 6,792 5,797 0.75,798 1,811 1,815 2,816 2,819 1,843 3,847 2,851 26,858 1,860 1,871 1,874 2.2,877 1,881 13,882 8.767,883 5.667,884 2.597,886 3.645,887 1.489,888 1.029,889 4.312,890 11.1,891 3.726,892 4.382,893 5.017,894 5.639,895 6.124,896 6.471,897 6.958,898 7.381,899 7.634,900 7.921,901 1,902 40,903 9.563,905 4.052,906 7.686,907 18.296,909 14.975,911 2.186,912 56.833,915 1,916 200.109,917 127.819,918 70.021,920 25.145,923 127.819,924 225.254,925 70.021,926 17.65,927 20.116,928 75.81,929 83.688,930 30.692,931 6.8,932 188.338,934 200.109,935 197.84,936 25.145,939 200.109,940 25.145,943 66.847,944 97.545,945 33.449,947 200.109,948 95.166,949 127.819,952 200.109,953 25.74,954 103.978,955 34.674,956 58.593,957 200.109,958 95.166,959 127.819,961 0.584,962 0.349,963 0.189,964 0.098,965 21,966 9,967 0.083,968 4,969 1,970 1.1,971 3.835,972 223.733,973 0.1,974 20,975 118.211,981 16.553,982 6.773,983 3.171,984 2.208,985 76.604,986 17.573,987 7.778,988 2.58,991 4.49,992 2.289,993 34.674,994 423.094,995 40.5,1000 12.438,1004 -0.223,1007 45.022,1008 50.607,1009 0.277,1010 0.666,1011 0.805,1012 0.91,1013 0.921,1014 0.921,1015 4.951,1016 1.39,1017 5.802,1018 3.532,1019 4.419,1020 5.069,1021 1.331,1022 6.635,1023 4.364,1024 6.18,1025 1.048,1026 7.375,1027 3.139,1028 4.007,1029 4.902,1031 7.567,1032 3.932,1033 7.5,1034 1,1035 9.051,1036 2.488,1037 6.028,1038 7.344,1039 1.297,1040 10.716,1041 5.918,1042 8.862,1043 0.906,1044 10.788,1045 2.266,1046 6.479,1047 8.066,1049 12.525,1050 6.345,1051 10.258,1052 0.618,1053 12.566,1054 2.136,1055 7.953,1056 9.946,1057 1.348,1058 15.201,1059 7.791,1060 11.68,1061 0.329,1062 14.373,1063 1.372,1064 8.798,1065 11.098,1067 17.392,1068 8.609,1069 13.124,1070 -0.221,1071 16.201,1072 0.798,1073 10.071,1074 12.761,1075 1.425,1076 19.919,1077 9.856,1078 3.325,1079 -0.439,1080 18.046,1081 -0.568,1082 11.102,1083 14.125,1085 22.273,1086 10.857,1087 2.809,1088 11.784,1089 19.905,1090 -1.094,1091 12.306,1092 15.707,1093 1.51,1094 24.754,1095 12.034,1096 2.53,1097 8.778,1098 21.777,1099 4.724,1100 13.421,1101 17.172,1103 27.174,1104 13.119,1105 2.431,1106 7.524,1107 23.659,1108 3.632,1109 14.606,1110 18.728,1111 1.599,1112 29.642,1113 14.276,1114 2.048,1115 6.951,1116 25.55,1117 3.464,1118 15.761,1119 20.24,1121 32.09,1122 15.4,1123 1.989,1124 6.493,1125 27.449,1126 3.39,1127 16.945,1128 21.788,1129 1.69,1130 34.555,1131 16.554,1132 1.445,1133 6.258,1134 29.355,1135 2.828,1136 18.12,1137 23.321,1139 37.013,1140 17.698,1141 7773,1142 12755,1143 19.592,1144 30.813,1145 44.135,1146 44.847,1147 44.572,1148 43.704,1149 43.734,1150 60.615,1151 3.16,1152 127.036,1153 42.552,1154 5.586,1155 5.585,1156 6.783,1157 5.356,1158 5.325,1159 7.724,1160 2.117,1161 19.031,1162 5.228,1163 10.793,1164 1.522,1165 1.546,1166 1.537,1167 1.507,1168 1.508,1169 2.09,1170 0.109,1171 4.381,1172 1.467,1173 4.171,1174 4.203,1175 4.138,1176 4.088,1177 7.429,1178 4.096,1179 3.883,1180 3.941,1181 3.823,1182 3.828,1183 5.132,1184 3.82,1185 3.848,1186 3.908,1187 3.8,1188 3.557,1189 4.903,1190 3.609,1191 3.581,1192 3.621,1193 3.521,1194 3.433,1195 4.727,1196 3.45,1197 3.243,1198 3.319,1199 3.109,1200 3.085,1201 4.258,1202 3.079,1203 3.177,1204 3.241,1205 3.056,1206 2.948,1207 3.911,1208 2.97,1209 3.041,1210 3.139,1211 2.795,1212 2.865,1213 3.832,1214 2.835,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.695,1220 2.715,1221 0.164,1222 0.124,1223 0.241,1224 0.148,1225 0.115,1226 4.751,1227 0.163,1228 3.585,1229 0.036,1230 6.981,1231 0.406,1232 4.294,1233 0.111,1234 3.325,1235 4.724,1236 1.058,1237 11.784,1238 3.228,1239 1.972,1240 1.949,1241 2.065,1242 2.067,1243 1.231,1244 2.066,1245 1.903,1246 1.877,1247 2.013,1248 1.982,1249 1.161,1250 1.994,1251 1.665,1252 1.617,1253 1.844,1254 1.818,1255 0.97,1256 1.83,1257 1.404,1258 1.356,1259 1.568,1260 1.7,1261 0.671,1262 1.642,1263 1.297,1264 1.197,1265 1.484,1266 1.652,1267 0.58,1268 1.613,1269 1.202,1270 1.126,1271 1.473,1272 1.428,1273 0.371,1274 1.454,1275 1.091,1276 0.995,1277 1.392,1278 1.338,1279 0.332,1280 1.386,1281 0.93,1282 0.885,1283 1.181,1284 1.163,1285 0.218,1286 1.131,1287 4.078,1289 5.407,1290 3.045,1291 6.927,1292 5.416,1293 8.531,1294 7.526,1295 10.186,1297 4.21,1303 0.805,1305 2.684,1314 29.509,1315 68.375,1316 164.604,1317 198.869,1318 224.869,1319 227.624,1320 227.624,1321 33.726,1322 7.454,1323 75.6,1324 75.6,1325 22,1326 12.609,1327 4.524,1328 3.644,1329 38.047,1330 97,1331 92,1332 0.195,1333 181.737,1334 298.91,1335 435.199,1336 16830,1338 18.096,1339 0.696,1340 0.564,1341 18.096,1342 14.653,1343 12.631,1344 0.436,1345 0.291,1346 8.333,1347 12.203,1348 8.065,1349 6.738,1350 12.631,1351 8.438,1352 11.386,1353 0.278,1354 0.153,1355 11.386,1356 6.291,1357 10.04,1358 0.179,1359 0.084,1360 10.04,1361 4.725,1362 8.247,1363 0.111,1364 0.043,1365 8.247,1366 3.204,1367 6.364,1368 0.071,1369 0.024,1370 6.364,1371 2.179,1372 0.304,1373 78.717,1374 0.226,1375 25.122,1376 0.542,1377 140,1378 385.337,1379 152.067,1380 381.396,1381 533.21,1382 358,1383 167,1384 407.045,1385 179.484,1386 414.712,1387 604.57,1388 390,1389 5.1}
{0 CHEMBL1979855,1 1.536,2 12.829,3 4.763,4 22.689,5 133.542,6 7.649,7 0.579,8 4.198,9 4.323,10 3.782,11 3.762,12 5.38,13 3.743,14 4.696,15 4.864,16 4.155,17 4.149,18 5.846,19 4.111,20 4.965,21 5.154,22 4.221,23 4.295,24 6.11,25 4.235,26 5.11,27 5.354,28 4.218,29 4.28,30 6.212,31 4.214,32 4.994,33 5.209,34 4.211,35 4.209,36 6.227,37 4.166,38 4.949,39 5.16,40 4.17,41 4.206,42 6.136,43 4.157,44 5.011,45 5.218,46 4.192,47 4.241,48 6.225,49 4.184,50 5.069,51 5.302,52 4.1,53 4.247,54 6.187,55 4.171,56 0.06,57 0.92,58 11.5,59 5.121,60 12.244,61 6.663,62 0.268,63 1.444,64 20.964,65 8.687,66 33.245,67 11.812,68 0.259,69 1.822,70 28.809,71 10.881,72 49.817,73 14.671,74 0.471,75 1.975,76 37.588,77 12.159,78 76.524,79 17.215,80 0.533,81 1.813,82 31.934,83 10.168,84 77.565,85 14.015,86 0.377,87 1.725,88 30.162,89 10.251,90 62.041,91 13.959,92 0.371,93 1.8,94 32.117,95 11.255,96 69.676,97 15.157,98 0.579,99 1.845,100 36.387,101 11.734,102 102.001,103 15.785,104 44,105 54,106 0.244,107 0.573,108 0.694,109 0.8,110 0.839,111 0.849,112 3.589,113 0.883,114 -4.56,115 -4.48,116 -4.22,119 44.3,120 3,123 1,125 1,142 12,143 3,144 2,146 1,153 1,158 2,159 1,166 1,172 16,175 6,178 4,179 1,180 4,183 19,188 10,191 2,193 5,196 14,199 1,200 10,203 1,205 10,208 7,212 3,213 6,216 2,218 10,221 6,224 1,225 10,228 1,230 7,233 11,238 13,241 1,242 1,243 7,246 10,249 1,250 9,255 2,258 12,263 2,264 7,267 2,268 1,269 3,272 20,276 2499,277 23.272,278 23.272,279 23.272,280 23.272,281 23.272,282 20.316,283 26.894,284 13.804,285 23.521,286 18.764,287 18.764,288 18.764,289 18.764,290 18.764,291 14.117,292 34.309,293 6.529,294 19.157,295 4.395,296 2.321,297 1.558,298 0.886,299 0.644,300 0.578,301 4.279,306 1,307 957,308 4.583,311 101.403,312 312.54,316 166.865,319 1.995,320 33.542,323 1,324 0.83,325 1,326 0.6,327 0.5,328 1,329 1,330 0.85,331 75,332 449,333 4.587,334 4.045,335 7.139,336 4.351,337 3.367,338 4.432,339 2.437,340 11.838,341 3.316,342 4.498,343 3.615,344 6.519,345 4.034,346 3.046,347 4.224,348 1.656,349 10.249,350 3.012,351 4.263,352 3.554,353 6.503,354 3.966,355 2.993,356 3.745,357 1.049,358 10.181,359 2.916,360 4.039,361 3.534,362 6.024,363 3.725,364 2.737,365 3.303,366 0.247,367 8.59,368 2.683,369 3.716,370 3.072,371 5.4,372 3.359,373 2.382,374 3.027,376 6.951,377 2.313,378 3.52,379 3.009,380 5.216,381 3.074,382 2.095,383 2.8,385 6.297,386 2.047,387 3.446,388 2.325,389 4.805,390 2.862,391 1.866,392 2.548,394 5.281,395 1.849,396 3.305,397 2.135,398 4.459,399 2.618,400 1.618,401 2.427,403 4.11,404 1.618,405 3.118,406 1.854,407 4.26,408 2.578,409 1.614,410 2.121,412 3.931,413 1.552,414 2.894,415 1.785,416 4.117,417 2.307,418 1.335,419 1.912,421 3.703,422 1.297,423 2.768,424 1.618,425 3.883,426 2.28,427 1.3,428 1.899,430 2.865,431 1.275,432 2.667,433 1.481,434 3.589,435 2.252,436 1.263,437 1.705,439 2.812,440 1.239,441 2.578,442 1.278,443 3.475,444 2.004,445 1,446 1.516,448 2.341,449 0.998,450 2.343,451 1.207,452 3.32,453 1.876,454 0.886,455 1.267,457 2.062,458 0.876,459 2.306,460 1.024,461 3.23,462 1.818,463 0.825,464 1.21,466 2.048,467 0.818,468 16.567,469 0.473,470 1.001,471 0.029,472 49,473 1.4,474 27,475 0.771,476 22,477 0.629,478 29.823,479 0.852,480 36.233,481 0.594,482 41.527,483 1.186,484 9.581,485 0.274,486 7.176,487 0.205,488 0.155,489 0.03,490 0.296,496 0.711,497 1.171,498 0.772,499 0.989,500 0.549,501 0.9,502 0.482,503 1.091,504 0.739,505 0.979,506 0.459,507 0.912,508 1.023,509 1.236,510 1.069,511 1.17,512 0.888,513 1.132,514 1.132,515 1.003,516 0.917,517 0.879,518 0.937,519 0.861,520 1.249,521 1.031,522 1.026,523 0.947,524 0.928,525 0.942,526 1.236,527 1.036,528 0.996,529 0.962,530 1.001,531 0.939,532 1.276,533 1.156,534 1.044,535 1.095,536 1.26,537 1.048,538 1.614,539 0.844,540 1.136,541 0.814,542 1.522,543 0.894,544 8,545 0.326,546 4.222,547 2.438,548 2.123,549 1.421,550 0.936,551 0.701,552 0.64,553 0.383,554 17287,555 47570,556 2.034,557 42.6,558 9,559 14,562 3,567 1.772,568 1.883,569 3.593,570 0.792,577 93.672,578 1.536,579 3.609,580 4.372,581 5.045,582 5.287,583 5.352,584 3.072,585 4.879,586 5.099,587 3.791,588 2255.7,589 8.982,590 35274.1,595 361.775,596 1.592,597 5.043,598 0.211,599 0.008,600 0.078,601 0.044,602 0.039,603 0.027,604 0.018,605 0.013,606 0.013,607 0.008,608 0.459,609 0.17,610 0.88,611 1.258,612 188.731,613 -0.01,614 -0.015,615 0.034,616 0.012,617 -0.04,618 0.026,619 0.277,620 -0.005,621 0.134,622 0.02,623 0.105,624 0.044,625 -0.078,626 -0.176,627 -0.149,628 -0.198,629 -0.074,630 -0.188,631 -0.035,632 -0.007,633 0.103,634 0.071,635 -0.024,636 0.104,637 0.021,638 0.027,639 -0.029,640 -0.023,641 0.105,642 -0.028,643 -0.076,644 0.002,645 -0.018,646 -0.01,647 0.003,648 -0.001,649 -0.064,650 -0.148,651 -0.06,652 -0.13,653 -0.058,654 -0.1,655 -0.275,656 0.136,657 -0.105,658 0.142,659 -0.222,660 0.059,661 2.078,662 6.003,663 0.6,664 38.583,665 1.002,666 1.124,667 3.325,668 11.059,669 0.681,670 3.664,671 4.007,672 4.248,673 4.511,674 4.754,675 4.852,676 4.942,677 5.043,678 5.159,679 5.198,680 7.545,681 0.653,682 466.59,683 3.664,684 5.22,685 6.066,686 6.956,687 7.826,688 8.72,689 9.601,690 10.497,691 11.383,692 12.281,693 9.8,700 3,701 1,702 1,703 1,708 2,709 12,710 1,714 5,715 1,716 22,723 1,735 61,737 25,738 3,739 38,741 64,742 27,743 19,744 5,745 11,746 1,748 4,749 5,753 1,754 3,755 1,761 1,762 21,763 5,767 2,772 2,776 2,783 26,784 7,785 3,786 8,792 6,797 0.75,798 2,807 1,815 1,816 3,820 1,825 1,843 3,847 3,851 35,858 1,860 3,865 1,866 1,870 1,872 1,874 3.3,877 2,881 18.583,882 11.933,883 7.639,884 3.497,886 4.522,887 1.561,888 0.976,889 6.978,890 12.579,891 3.989,892 4.588,893 5.168,894 5.772,895 6.312,896 6.612,897 6.979,898 7.322,899 7.677,900 7.773,901 0.889,902 55,903 12.916,905 5.486,906 7.864,907 24.267,909 19.644,911 2.364,912 82.75,916 270.735,917 186.808,918 103.531,920 50.29,923 186.808,924 321.025,925 103.531,926 26.476,927 56.138,928 113.715,929 88.259,930 51.766,931 4.276,932 270.735,934 270.735,935 290.339,936 50.29,939 270.735,940 50.29,943 120.534,944 153.142,945 16.663,947 270.735,948 153.821,949 186.808,952 270.735,953 30.016,954 141.967,955 70.634,956 98.012,957 270.735,958 153.821,959 186.808,961 0.583,962 0.33,963 0.176,964 0.103,965 25,966 12,967 0.094,968 6,969 1,970 1.095,971 4.432,972 332.213,973 0.095,974 21,975 170.77,981 24.16,982 10.108,983 5.578,984 1.96,985 152.044,986 22.232,987 4.714,991 2.917,992 1.602,993 54.032,994 611.365,995 53,1000 25.356,1004 -0.773,1007 61.101,1008 68.561,1009 0.259,1010 0.609,1011 0.737,1012 0.851,1013 0.891,1014 0.902,1015 5.239,1016 1.618,1017 6.084,1018 5.281,1019 4.691,1020 5.276,1021 2.99,1022 6.932,1023 4.652,1024 6.477,1025 1.614,1026 7.673,1027 4.11,1028 4.443,1029 5.139,1030 1.195,1031 8.055,1032 4.397,1033 7.804,1034 1.335,1035 9.372,1036 3.931,1037 6.358,1038 7.502,1039 4.433,1040 11.095,1041 6.279,1042 9.165,1043 1.3,1044 11.139,1045 3.703,1046 6.919,1047 8.186,1048 2.324,1049 13.022,1050 6.834,1051 10.556,1052 1.263,1053 12.949,1054 2.865,1055 8.352,1056 10.039,1057 6.103,1058 15.634,1059 8.241,1060 11.97,1061 1,1062 14.788,1063 2.812,1064 9.259,1065 11.119,1066 3.407,1067 17.861,1068 9.14,1069 13.402,1070 0.886,1071 16.648,1072 2.341,1073 10.518,1074 12.754,1075 7.846,1076 20.343,1077 10.378,1078 3.367,1079 0.825,1080 18.523,1081 2.062,1082 11.575,1083 14.03,1084 4.464,1085 22.69,1086 11.423,1087 3.046,1088 11.838,1089 20.411,1090 2.048,1091 12.772,1092 15.569,1093 9.613,1094 25.134,1095 12.604,1096 2.993,1097 10.249,1098 22.307,1099 4.432,1100 13.896,1101 16.942,1102 5.504,1103 27.533,1104 13.714,1105 2.737,1106 10.181,1107 24.212,1108 4.224,1109 15.075,1110 18.439,1111 11.388,1112 29.971,1113 14.878,1114 2.382,1115 8.59,1116 26.123,1117 3.745,1118 16.229,1119 19.86,1120 6.531,1121 32.395,1122 16.018,1123 2.095,1124 6.951,1125 28.039,1126 3.303,1127 17.407,1128 21.34,1129 13.167,1130 34.836,1131 17.18,1132 1.866,1133 6.297,1134 29.96,1135 3.027,1136 18.577,1137 22.786,1138 7.551,1139 37.273,1140 18.337,1141 16720,1142 27913,1143 24.849,1144 41.557,1145 59.143,1146 62.217,1147 58.739,1148 56.866,1149 56.892,1150 76.631,1151 10.779,1152 166.871,1153 55.839,1154 5.47,1155 6.045,1156 7.002,1157 5.417,1158 5.367,1159 7.432,1160 4.874,1161 19.067,1162 5.316,1163 19.504,1164 1.556,1165 1.637,1166 1.546,1167 1.496,1168 1.497,1169 2.017,1170 0.284,1171 4.391,1172 1.469,1173 4.104,1174 4.138,1175 4.063,1176 4.045,1177 7.432,1178 4.043,1179 4.039,1180 4.074,1181 4.001,1182 3.925,1183 7.428,1184 3.938,1185 3.835,1186 3.87,1187 3.777,1188 3.738,1189 6.818,1190 3.74,1191 3.609,1192 3.675,1193 3.508,1194 3.419,1195 4.973,1196 3.431,1197 3.551,1198 3.612,1199 3.477,1200 3.384,1201 4.897,1202 3.389,1203 3.474,1204 3.528,1205 3.365,1206 3.329,1207 4.611,1208 3.341,1209 3.327,1210 3.376,1211 3.248,1212 3.092,1213 4.354,1214 3.126,1215 3.156,1216 3.184,1217 3.11,1218 2.962,1219 4.223,1220 2.99,1221 0.121,1222 0.106,1223 0.188,1224 0.114,1225 0.089,1226 4.587,1227 0.117,1228 4.045,1229 0.064,1230 7.139,1231 0.312,1232 4.351,1233 0.087,1234 3.367,1235 4.432,1236 2.437,1237 11.838,1238 3.316,1239 2.07,1240 2.051,1241 2.151,1242 2.133,1243 1.285,1244 2.139,1245 1.922,1246 1.896,1247 2.013,1248 2.037,1249 1.211,1250 2.028,1251 1.784,1252 1.737,1253 1.992,1254 1.919,1255 1.115,1256 1.946,1257 1.529,1258 1.479,1259 1.682,1260 1.791,1261 0.748,1262 1.752,1263 1.492,1264 1.437,1265 1.671,1266 1.711,1267 0.706,1268 1.693,1269 1.429,1270 1.375,1271 1.574,1272 1.588,1273 0.647,1274 1.603,1275 1.168,1276 1.124,1277 1.417,1278 1.421,1279 0.469,1280 1.38,1281 1.109,1282 1.061,1283 1.417,1284 1.326,1285 0.469,1286 1.322,1287 4.344,1289 5.68,1290 2.398,1291 7.203,1292 4.727,1293 8.811,1294 6.862,1295 10.466,1297 6.099,1303 -0.083,1305 8.367,1310 -0.268,1312 8.733,1313 1.892,1314 39.826,1315 93.672,1316 220.172,1317 266.716,1318 307.736,1319 322.491,1320 326.491,1321 73.661,1322 8.056,1323 111.84,1324 111.84,1325 23,1326 12.807,1327 4.7,1328 4,1329 59.212,1330 153,1331 190,1332 0.181,1333 247.965,1334 429.24,1335 596.794,1336 39165,1338 25.001,1339 0.714,1340 0.566,1341 25.001,1342 19.793,1343 16.757,1344 0.441,1345 0.294,1346 11.055,1347 16.232,1348 10.665,1349 8.959,1350 16.757,1351 11.18,1352 15.741,1353 0.291,1354 0.168,1355 15.741,1356 9.074,1357 12.286,1358 0.178,1359 0.079,1360 12.286,1361 5.438,1362 10.141,1363 0.113,1364 0.04,1365 10.141,1366 3.639,1367 8.438,1368 0.073,1369 0.022,1370 8.438,1371 2.49,1372 0.283,1373 104.269,1374 0.201,1375 32.075,1376 0.499,1377 184,1378 527.405,1379 199.974,1380 523.348,1381 714.01,1382 486,1383 215,1384 530.749,1385 230.977,1386 542.002,1387 784.98,1388 508,1389 5.8}
{0 CHEMBL1979883,1 1.549,2 14.545,3 4.695,4 22.045,5 137.916,6 7.856,7 0.611,8 4.147,9 4.27,10 3.795,11 3.76,12 5.296,13 3.714,14 4.627,15 4.802,16 4.14,17 4.138,18 5.737,19 4.067,20 4.8,21 4.968,22 4.194,23 4.274,24 5.9,25 4.175,26 4.945,27 5.181,28 4.221,29 4.262,30 5.992,31 4.142,32 4.8,33 4.994,34 4.073,35 4.151,36 5.939,37 4.044,38 4.745,39 4.954,40 4.014,41 4.078,42 5.85,43 3.983,44 4.706,45 4.899,46 3.957,47 4.076,48 5.777,49 3.966,50 4.747,51 4.981,52 3.834,53 4.062,54 5.719,55 3.912,56 0.05,57 0.859,58 11.463,59 5.013,60 10.772,61 6.358,62 0.293,63 1.36,64 21.987,65 8.62,66 26.084,67 11.081,68 0.145,69 1.57,70 24.722,71 10.45,72 28.313,73 13.308,74 0.203,75 1.747,76 35.083,77 13.027,78 41.353,79 17.249,80 0.242,81 1.537,82 30.246,83 10.914,84 47.229,85 13.13,86 0.273,87 1.469,88 29.261,89 10.064,90 41.853,91 12.529,92 0.207,93 1.403,94 23.868,95 9.15,96 37.631,97 11.87,98 0.274,99 1.46,100 32.081,101 11.508,102 33.304,103 14.363,104 30,105 50,106 0.249,107 0.632,108 0.766,109 0.827,110 0.84,111 0.846,112 3.531,113 0.944,114 -4.85,115 -4.76,116 -4.47,119 44.8,120 1,124 2,125 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 3,177 1,178 3,179 1,180 5,183 18,185 1,188 3,193 5,196 13,198 1,200 8,205 10,208 9,210 3,213 6,218 8,221 6,223 3,224 1,225 7,230 7,233 9,235 3,238 2,243 2,246 12,250 2,252 1,253 2,254 1,255 2,257 1,258 12,264 3,269 2,272 8,276 2074,277 22.085,278 22.085,279 22.085,280 22.085,281 22.085,282 19,283 24.272,284 13.086,285 22.539,286 17.792,287 17.792,288 17.792,289 17.792,290 17.792,291 13.172,292 29.841,293 6.251,294 18.507,295 4.309,296 1.919,297 1.087,298 0.707,299 0.625,300 0.591,301 4.226,306 1,307 1025,308 3.937,311 78.739,312 328.77,315 149.353,319 2.441,320 22.24,323 1,324 0.83,325 1,326 0.6,327 0.5,328 1,329 1,330 0.85,331 69.5,332 480,333 4.732,334 3.563,335 6.972,336 4.252,337 3.286,338 4.712,339 1.656,340 11.822,341 3.176,342 4.158,343 3.365,344 6.078,345 3.736,346 2.761,347 3.74,348 1.053,349 8.757,350 2.688,351 4.074,352 2.932,353 5.63,354 3.66,355 2.676,356 3.66,357 0.249,358 7.806,359 2.629,360 3.941,361 2.76,362 5.535,363 3.455,364 2.476,365 3.332,366 0.247,367 7.245,368 2.418,369 3.709,370 2.732,371 5.373,372 3.227,373 2.266,374 2.982,376 6.761,377 2.189,378 3.473,379 2.541,380 4.903,381 3.11,382 2.176,383 2.777,385 5.71,386 2.038,387 3.453,388 2.289,389 4.729,390 3.049,391 2.089,392 2.614,394 5.192,395 1.984,396 3.206,397 2.136,398 4.644,399 2.775,400 1.823,401 2.377,403 4.944,404 1.741,405 3.12,406 1.924,407 4.503,408 2.653,409 1.683,410 2.271,412 4.589,413 1.596,414 2.992,415 1.724,416 4.186,417 2.184,418 1.197,419 1.802,421 3.259,422 1.181,423 2.658,424 1.24,425 3.682,426 2.154,427 1.172,428 1.728,430 2.586,431 1.142,432 2.561,433 1.162,434 3.479,435 2.002,436 1.057,437 1.575,439 2.51,440 1,441 2.5,442 1,443 3.414,444 2,445 1,446 1.5,448 2.275,449 0.99,450 2.271,451 0.97,452 3.263,453 1.645,454 0.802,455 1.131,457 1.953,458 0.657,459 1.412,460 0.658,461 2.959,462 1.128,463 0.187,464 0.217,466 0.426,467 0.175,468 16.167,469 0.49,470 0.856,471 0.026,472 45.75,473 1.386,474 25,475 0.758,476 20.75,477 0.629,478 26.544,479 0.804,480 33.633,481 0.58,482 35.915,483 1.088,484 9.138,485 0.277,486 6.764,487 0.205,488 0.138,490 0.334,496 0.916,497 1.129,498 0.774,499 0.862,500 0.773,501 0.843,502 0.723,503 0.789,504 0.838,505 0.762,506 0.502,507 0.76,508 1.052,509 1.151,510 0.991,511 1.054,512 1.037,513 1.105,514 0.742,515 1.047,516 0.798,517 0.954,518 0.758,519 0.86,520 1.531,521 1.146,522 1.285,523 1.165,524 1.619,525 1.064,526 1.346,527 1.048,528 1.168,529 1.062,530 1.351,531 0.941,532 1.291,533 1.165,534 1.039,535 1.061,536 1.408,537 1.139,538 0.772,539 0.933,540 1.378,541 1.232,542 0.704,543 1.061,544 7,545 0.178,546 3.333,547 2.278,548 1.824,549 1.115,550 0.727,551 0.473,552 0.403,553 0.273,554 16831,555 43294,556 2.061,557 43.1,558 3,559 16,560 1,561 1,562 4,567 1.749,568 1.922,569 3.794,570 1.513,577 89.845,578 1.549,579 3.939,580 4.771,581 5.151,582 5.233,583 5.267,584 3.294,585 4.863,586 5.009,587 4.008,588 2116.01,589 8.755,590 33059.7,595 339.763,596 1.434,597 4.971,598 0.194,599 0.007,600 0.067,601 0.046,602 0.037,603 0.026,604 0.017,605 0.012,606 0.012,607 0.009,608 0.427,610 1,611 1.177,612 178.49,613 -0.09,614 -0.017,615 0.047,616 0.062,617 -0.124,618 0.05,619 0.199,620 0.293,621 0.102,622 0.206,623 0.161,624 0.171,625 -0.14,626 -0.12,627 -0.101,628 -0.096,629 -0.132,630 -0.167,631 0.125,632 -0.088,633 0.247,634 0.078,635 0.146,636 0.155,637 -0.201,638 -0.112,639 -0.161,640 -0.11,641 -0.128,642 -0.109,643 -0.099,644 -0.012,645 -0.069,646 -0.031,647 -0.044,648 0.017,649 -0.195,650 -0.152,651 -0.143,652 -0.128,653 -0.256,654 -0.202,655 0.053,656 0.074,657 -0.171,658 -0.108,659 0.025,660 -0.041,661 1.955,662 5.331,663 0.636,664 43.826,665 0.996,666 1.117,667 3.622,668 13.117,669 0.702,670 3.611,671 3.932,672 4.174,673 4.466,674 4.673,675 4.771,676 4.89,677 5.063,678 5.124,679 5.198,680 8.44,681 0.66,682 455.63,683 3.611,684 5.153,685 5.994,686 6.874,687 7.737,688 8.625,689 9.501,690 10.395,691 11.279,692 12.178,693 8.6,696 1,697 1,700 2,703 1,708 2,709 10,710 1,713 1,714 7,716 22,727 1,735 58,737 24,738 2,739 36,741 61,742 26,743 19,744 4,745 8,748 4,749 5,753 1,754 1,761 2,762 20,763 4,767 1,772 1,776 1,783 25,784 6,785 4,786 7,787 1,792 5,797 0.75,798 1,809 1,815 1,816 3,819 1,823 2,839 1,843 3,845 1,847 3,851 33,852 1,858 1,860 2,864 1,866 1,869 1,872 2,874 1.7,877 1,881 17.167,882 11.4,883 7.222,884 3.179,886 4.781,887 1.591,888 1.011,889 7.05,890 12.872,891 3.932,892 4.557,893 5.166,894 5.829,895 6.379,896 6.762,897 7.218,898 7.704,899 8.031,900 8.407,901 0.9,902 50,903 12.133,905 5.048,906 7.682,907 23.186,909 18.598,911 2.182,912 72,916 247.193,917 213.747,918 88.829,920 25.145,922 31.278,923 182.47,924 272.338,925 88.829,926 25.618,927 38.127,928 116.356,929 53.702,930 33,931 53.182,932 254.929,934 247.193,935 271.298,936 25.145,937 31.278,939 247.193,940 25.145,943 59.124,944 161.327,945 50.847,946 31.278,947 247.193,948 113.973,949 213.747,952 247.193,953 61.562,954 121.249,955 70.083,956 74.828,957 247.193,958 113.973,959 213.747,961 0.58,962 0.323,963 0.177,964 0.096,965 23,966 11,967 0.066,968 4,969 1,970 1.095,971 4.461,972 295.956,973 0.095,974 21,975 158.465,977 1,981 22.942,982 10.14,983 5.581,984 1.943,985 113.973,986 19.158,987 4.369,990 1.61,991 5.902,993 68.919,994 574.914,995 50,1000 12.331,1004 -0.288,1007 57.749,1008 64.773,1009 0.264,1010 0.672,1011 0.815,1012 0.879,1013 0.893,1014 0.899,1015 5.168,1016 1.823,1017 5.979,1018 5.192,1019 4.615,1020 5.244,1021 2.072,1022 6.779,1023 4.542,1024 6.401,1025 1.683,1026 7.528,1027 4.944,1028 4.205,1029 5.037,1030 1.305,1031 7.673,1032 4.112,1033 7.717,1034 1.197,1035 9.176,1036 4.589,1037 6.192,1038 7.492,1039 2.573,1040 10.789,1041 6.06,1042 9.068,1043 1.172,1044 10.885,1045 3.259,1046 6.581,1047 8.134,1048 2.389,1049 12.581,1050 6.423,1051 10.45,1052 1.057,1053 12.637,1054 2.586,1055 8.055,1056 10.057,1057 3.315,1058 15.243,1059 7.867,1060 11.855,1061 1,1062 14.421,1063 2.51,1064 8.834,1065 11.142,1066 3.438,1067 17.432,1068 8.614,1069 13.28,1070 0.802,1071 16.231,1072 2.275,1073 10.104,1074 12.834,1075 4.186,1076 19.954,1077 9.856,1078 3.286,1079 0.187,1080 18.062,1081 1.953,1082 11.082,1083 14.153,1084 4.478,1085 22.31,1086 10.799,1087 2.761,1088 11.822,1089 19.911,1090 0.426,1091 12.275,1092 15.748,1093 5.124,1094 24.79,1095 11.962,1096 2.676,1097 8.757,1098 21.775,1099 4.712,1100 13.353,1101 17.185,1102 5.51,1103 27.213,1104 13.004,1105 2.476,1106 7.806,1107 23.651,1108 3.74,1109 14.523,1110 18.743,1111 6.096,1112 29.682,1113 14.141,1114 2.266,1115 7.245,1116 25.538,1117 3.66,1118 15.651,1119 20.237,1120 6.533,1121 32.133,1122 15.233,1123 2.176,1124 6.761,1125 27.434,1126 3.332,1127 16.818,1128 21.783,1129 7.085,1130 34.6,1131 16.366,1132 2.089,1133 5.71,1134 29.338,1135 2.982,1136 17.972,1137 23.305,1138 7.552,1139 37.061,1140 17.483,1141 16166,1142 26112,1143 23.868,1144 40.745,1145 54.853,1146 55.323,1147 55.369,1148 53.336,1149 53.442,1150 73.001,1151 6.411,1152 152.053,1153 51.346,1154 5.598,1155 5.563,1156 6.529,1157 5.358,1158 5.286,1159 7.712,1160 2.912,1161 19.202,1162 5.176,1163 17.87,1164 1.524,1165 1.537,1166 1.538,1167 1.482,1168 1.485,1169 2.028,1170 0.178,1171 4.224,1172 1.426,1173 4.118,1174 4.129,1175 4.34,1176 4.127,1177 7.431,1178 4.086,1179 3.934,1180 3.968,1181 3.885,1182 3.861,1183 5.194,1184 3.857,1185 3.847,1186 3.878,1187 3.805,1188 3.787,1189 4.819,1190 3.78,1191 3.657,1192 3.734,1193 3.59,1194 3.506,1195 4.763,1196 3.502,1197 3.45,1198 3.497,1199 3.431,1200 3.245,1201 4.732,1202 3.254,1203 3.312,1204 3.353,1205 3.381,1206 3.143,1207 4.479,1208 3.161,1209 3.219,1210 3.292,1211 3.169,1212 3.053,1213 4.251,1214 3.041,1215 3.144,1216 3.222,1217 2.97,1218 2.984,1219 4.156,1220 2.968,1221 0.131,1222 0.099,1223 0.194,1224 0.118,1225 0.091,1226 4.732,1227 0.131,1228 3.563,1229 0.046,1230 6.972,1231 0.328,1232 4.252,1233 0.088,1234 3.286,1235 4.712,1236 1.656,1237 11.822,1238 3.176,1239 1.964,1240 1.945,1241 2.044,1242 2.047,1243 1.176,1244 2.046,1245 1.913,1246 1.884,1247 2.027,1248 2.006,1249 1.131,1250 2.014,1251 1.841,1252 1.823,1253 1.903,1254 1.932,1255 1.022,1256 1.935,1257 1.596,1258 1.527,1259 1.815,1260 1.834,1261 0.948,1262 1.838,1263 1.418,1264 1.395,1265 1.562,1266 1.617,1267 0.649,1268 1.592,1269 1.278,1270 1.223,1271 1.499,1272 1.459,1273 0.611,1274 1.488,1275 1.182,1276 1.129,1277 1.417,1278 1.389,1279 0.515,1280 1.417,1281 1.133,1282 1.074,1283 1.396,1284 1.291,1285 0.469,1286 1.336,1287 4.29,1289 5.609,1290 2.398,1291 7.111,1292 4.727,1293 8.704,1294 6.88,1295 10.35,1297 5.955,1301 6.238,1303 0.677,1305 5.711,1309 2.019,1313 6.375,1314 38.277,1315 89.845,1316 228.49,1317 276.743,1318 298.743,1319 303.498,1320 305.498,1321 52.762,1322 8.091,1323 83.28,1324 111.52,1325 23,1326 12.704,1327 4.644,1328 3.907,1329 54.678,1330 166,1331 161,1332 0.159,1333 241.64,1334 413.3,1335 581.362,1336 41536,1338 23.372,1339 0.708,1340 0.593,1341 23.725,1342 19.585,1343 15.902,1344 0.442,1345 0.315,1346 10.412,1347 15.028,1348 9.924,1349 8.364,1350 16.356,1351 11.328,1352 14.617,1353 0.292,1354 0.177,1355 15.141,1356 8.856,1357 11.447,1358 0.179,1359 0.094,1360 12.167,1361 5.986,1362 9.922,1363 0.115,1364 0.052,1365 10.864,1366 4.464,1367 7.763,1368 0.073,1369 0.027,1370 8.59,1371 2.913,1372 0.257,1373 102.871,1374 0.205,1375 31.298,1376 0.416,1377 172,1378 459.864,1379 204.989,1380 484.016,1381 666.47,1382 452,1383 200,1384 478.262,1385 231.701,1386 512.382,1387 741.01,1388 477,1389 6}
{0 CHEMBL1979933,1 1.819,2 9.667,3 3.898,4 15.193,5 86.393,6 9.037,7 0.692,8 3.729,9 3.836,10 3.433,11 3.241,12 5.07,13 3.281,14 4.149,15 4.281,16 3.779,17 3.568,18 5.639,19 3.59,20 4.363,21 4.543,22 3.768,23 3.622,24 5.664,25 3.634,26 4.36,27 4.556,28 3.729,29 3.512,30 5.761,31 3.527,32 4.317,33 4.521,34 3.62,35 3.441,36 5.665,37 3.477,38 4.173,39 4.358,40 3.64,41 3.393,42 5.691,43 3.416,44 4.088,45 4.283,46 3.454,47 3.29,48 5.408,49 3.309,50 4.007,51 4.214,52 3.292,53 3.131,54 5.487,55 3.116,56 0.169,57 0.643,58 4.744,59 2.679,60 16.687,61 2.673,62 0.373,63 0.968,64 7.836,65 4.402,66 39.175,67 4.729,68 0.451,69 1.111,70 12.998,71 5.231,72 50.891,73 5.806,74 0.587,75 1.029,76 14.289,77 5.1,78 50.591,79 6.027,80 0.613,81 0.947,82 15.086,83 4.33,84 78.733,85 4.489,86 0.542,87 0.891,88 11.314,89 3.795,90 57.097,91 4.667,92 0.339,93 0.809,94 10.089,95 3.565,96 30.501,97 4.034,98 0.544,99 0.715,100 10.926,101 3.556,102 52.934,103 4.349,104 11,105 35,106 0.326,107 0.601,108 0.733,109 0.862,110 0.916,111 0.926,112 3.228,113 0.799,114 -4.84,115 -4.75,116 -4.46,119 44.4,142 8,143 1,144 3,148 1,150 2,158 1,167 1,170 1,172 6,173 1,174 3,175 1,178 5,180 5,183 7,184 1,188 1,193 4,194 1,196 3,197 2,200 10,203 3,204 2,205 4,209 1,213 7,214 2,218 1,224 2,225 8,228 2,230 4,238 3,239 1,243 3,244 1,249 1,250 2,253 2,254 1,255 2,258 4,272 6,273 2,276 808,277 16.154,278 16.154,279 16.154,280 16.154,281 16.154,282 13.759,283 22.879,284 9.745,285 16.541,286 12.878,287 12.878,288 12.878,289 12.878,290 12.878,291 9.383,292 41.975,293 4.664,294 13.548,295 3.351,296 1.813,297 1.077,298 0.354,299 0.056,301 3.911,304 1,305 1,306 1,307 492,308 2.828,312 238.402,319 1.639,320 32.615,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 54,332 232,333 4.338,334 3.608,335 6.417,336 3.967,337 2.986,338 3.951,339 1.437,340 9.816,341 2.93,342 4.128,343 3.012,344 5.712,345 3.7,346 2.763,347 3.729,348 0.4,349 8.083,350 2.595,351 3.962,352 2.879,353 5.448,354 3.482,355 2.548,356 3.566,357 0.4,358 7.264,359 2.358,360 3.464,361 2.657,362 5.07,363 3.08,364 2.151,365 2.722,367 6.101,368 1.995,369 3.315,370 2.332,371 4.769,372 2.873,373 1.906,374 2.562,376 5.134,377 1.821,378 3.145,379 1.96,380 4.591,381 2.682,382 1.739,383 2.384,385 4.723,386 1.626,387 2.861,388 1.47,389 3.724,390 2.39,391 1.414,392 2.015,394 3.133,395 1.376,396 2.676,397 1.312,398 3.499,399 2.177,400 1.205,401 1.758,403 2.64,404 1.17,405 2.636,406 1.26,407 3.474,408 2.076,409 1.154,410 1.701,412 2.558,413 1.06,414 2.532,415 1.178,416 3.466,417 2.005,418 1,419 1.475,421 2.304,422 0.994,423 1.373,424 0.472,425 2.935,426 1.01,427 0.069,428 0.086,430 0.18,431 0.065,432 1.29,433 0.226,434 2.821,435 0.93,441 0.918,442 0.202,443 2,444 0.479,445 -0.414,446 -0.518,448 -0.932,449 -0.354,450 0.82,451 0.142,452 2,453 0.365,454 -0.59,455 -0.766,457 -1.447,458 -0.553,459 0.673,460 -0.46,461 2,462 0.195,463 -0.754,464 -1.005,466 -1.972,467 -0.704,468 10.952,469 0.456,470 0.558,471 0.023,472 36.75,473 1.531,474 20.5,475 0.854,476 16.25,477 0.677,478 13.407,479 0.559,480 25.048,481 0.696,482 26.628,483 1.11,484 7.625,485 0.318,486 3.989,487 0.166,488 0.087,490 0.32,494 1,496 0.798,497 1.145,498 0.661,499 0.942,500 0.688,501 0.793,502 0.493,503 0.893,504 0.739,505 1.047,506 0.477,507 1.009,508 1.022,509 1.255,510 1.007,511 1.136,512 0.92,513 1.071,514 0.868,515 0.958,516 0.96,517 1.052,518 0.875,519 1.044,520 1.437,521 0.944,522 1.161,523 0.721,524 1.327,525 0.783,526 0.665,527 0.859,528 0.844,529 0.853,530 0.662,531 0.894,532 0.997,533 1.137,534 1.042,535 1.076,536 0.783,537 1.039,538 0.821,539 0.715,540 1.079,541 0.873,542 0.967,543 1.025,544 5,545 0.099,546 1.778,547 1.75,548 0.987,549 0.597,550 0.383,551 0.293,552 0.176,553 0.109,554 6448,555 23532,556 2.064,557 33.3,559 8,561 1,562 3,567 1.668,568 1.946,569 3.281,570 1.08,572 1,574 1,577 65.488,578 1.819,579 3.356,580 4.093,581 4.816,582 5.114,583 5.17,584 2.669,585 4.022,586 4.56,587 3.464,588 956.017,589 7.862,590 11479.2,592 1,593 1,594 1,595 186.117,596 1.347,597 4.522,598 0.192,599 0.006,600 0.051,601 0.051,602 0.032,603 0.021,604 0.013,605 0.012,606 0.009,607 0.007,608 0.395,609 0.17,610 1,611 0.757,612 114.807,613 -0.145,614 -0.151,615 -0.013,616 0.005,617 -0.126,618 0.038,619 0.222,620 0.12,621 -0.016,622 -0.114,623 0.157,624 -0.16,625 -0.172,626 -0.25,627 -0.104,628 -0.18,629 -0.113,630 -0.127,631 0.064,632 -0.038,633 0.022,634 -0.124,635 0.012,636 -0.091,637 -0.38,638 -0.023,639 -0.141,640 0.182,641 -0.283,642 0.144,643 0.214,644 0.07,645 0.082,646 0.047,647 0.148,648 0.014,649 -0.191,650 -0.206,651 -0.116,652 -0.171,653 -0.073,654 -0.109,655 0.244,656 0.258,657 -0.029,658 0.079,659 0.084,660 -0.045,661 2.731,662 5.196,663 0.75,664 20,665 1.034,666 1.136,667 3.612,668 13.048,669 0.692,670 3.296,671 3.584,672 3.784,673 4.025,674 4.19,675 4.159,676 4.19,677 4.317,678 4.344,679 4.431,680 6.097,681 0.695,682 325.33,683 3.296,684 4.812,685 5.631,686 6.488,687 7.321,688 8.181,689 9.018,690 9.879,691 10.718,692 11.579,693 13.9,701 2,703 3,707 1,709 9,710 3,714 6,716 18,725 1,728 2,734 1,735 36,737 19,738 2,739 26,741 38,742 16,743 15,744 4,745 8,746 1,748 3,749 3,762 16,767 1,772 1,776 1,780 1,781 1,783 12,784 8,785 3,786 8,792 5,797 1,798 2,816 3,841 1,843 3,849 1,851 24,857 1,860 2,873 1,874 5.6,876 1,877 1,881 12.333,882 6.36,883 5.306,884 1.891,886 3.471,887 1.499,888 0.974,889 4.637,890 10.426,891 3.611,892 4.197,893 4.712,894 5.261,895 5.754,896 5.821,897 6.111,898 6.534,899 6.859,900 7.229,901 1,902 34,903 8.805,905 3.756,906 8.194,907 15.923,909 12.434,911 2.694,912 64.667,916 105.94,917 106.957,918 86.378,920 67.828,921 14.96,923 106.957,924 173.768,925 101.338,928 75.81,929 130.866,930 62.46,931 18.758,932 94.169,934 105.94,935 193.335,936 82.788,939 120.9,940 67.828,943 48.438,944 94.54,945 50.357,947 120.9,948 154.206,949 106.957,952 105.94,953 22.528,954 84.429,955 36.022,956 133.145,957 105.94,958 169.166,959 106.957,961 0.573,962 0.321,963 0.176,964 0.093,965 16,966 7,967 0.132,968 5,970 1,971 3.654,972 187.151,974 18,975 110.039,981 15.841,982 7.025,983 4.044,985 169.166,986 13.512,987 12.039,991 0.912,993 78.705,994 382.063,995 36,1000 11.211,1004 -1.065,1007 37.211,1008 40.911,1009 0.352,1010 0.649,1011 0.792,1012 0.931,1013 0.989,1014 1,1015 4.808,1016 1.205,1017 5.595,1018 3.133,1019 4.263,1020 4.883,1021 1.752,1022 6.34,1023 4.164,1024 6.008,1025 1.154,1026 7.109,1027 2.64,1028 3.761,1029 4.543,1031 7.086,1032 3.598,1033 7.294,1034 1,1035 8.719,1036 2.558,1037 5.79,1038 7.027,1039 2.264,1040 10.154,1041 5.602,1042 8.611,1043 0.069,1044 10.387,1045 2.304,1046 6.066,1047 7.44,1049 11.729,1050 5.827,1051 9.954,1053 12.091,1054 0.18,1055 7.575,1056 9.413,1057 2.923,1058 14.294,1059 7.314,1060 11.317,1061 -0.414,1062 13.822,1064 8.238,1065 10.213,1067 16.244,1068 7.941,1069 12.696,1070 -0.59,1071 15.573,1072 -0.932,1073 9.508,1074 11.927,1075 3.619,1076 18.62,1077 9.19,1078 2.986,1079 -0.754,1080 17.34,1081 -1.447,1082 10.37,1083 12.946,1085 20.745,1086 10.028,1087 2.763,1088 9.816,1089 19.12,1090 -1.972,1091 11.529,1092 14.513,1093 4.33,1094 23.051,1095 11.166,1096 2.548,1097 8.083,1098 20.911,1099 3.951,1100 12.493,1101 15.662,1103 25.257,1104 12.112,1105 2.151,1106 7.264,1107 22.711,1108 3.729,1109 13.601,1110 17.143,1111 5.047,1112 27.54,1113 13.202,1114 1.906,1115 6.101,1116 24.518,1117 3.566,1118 14.618,1119 18.369,1121 29.783,1122 14.204,1123 1.739,1124 5.134,1125 26.333,1126 2.722,1127 15.704,1128 19.798,1129 5.769,1130 32.06,1131 15.275,1132 1.414,1133 4.723,1134 28.153,1135 2.562,1136 16.749,1137 21.074,1139 34.322,1140 16.306,1141 6283,1142 12133,1143 17.394,1144 24.921,1145 38.423,1146 38.892,1147 39.232,1148 37.985,1149 37.873,1150 51.896,1151 4.473,1152 103.873,1153 35.983,1154 5.139,1155 5.608,1156 6.099,1157 5.067,1158 4.986,1159 6.951,1160 2.873,1161 16.379,1162 4.93,1163 10.926,1164 1.478,1165 1.496,1166 1.509,1167 1.461,1168 1.457,1169 1.996,1170 0.172,1171 3.995,1172 1.384,1173 3.975,1174 4.016,1175 3.934,1176 3.87,1177 8.201,1178 3.877,1179 3.901,1180 3.93,1181 3.852,1182 3.819,1183 7.475,1184 3.822,1185 3.727,1186 3.785,1187 3.696,1188 3.494,1189 6.351,1190 3.543,1191 3.279,1192 3.268,1193 3.226,1194 3.024,1195 5.11,1196 3.066,1197 3.109,1198 3.19,1199 3.037,1200 2.879,1201 4.707,1202 2.904,1203 2.966,1204 3.047,1205 2.876,1206 2.773,1207 4.651,1208 2.781,1209 2.892,1210 2.954,1211 2.783,1212 2.733,1213 4.123,1214 2.733,1215 2.709,1216 2.779,1217 2.563,1218 2.476,1219 4.037,1220 2.5,1221 0.167,1222 0.139,1223 0.247,1224 0.153,1225 0.115,1226 4.338,1227 0.152,1228 3.608,1229 0.055,1230 6.417,1231 0.378,1232 3.967,1233 0.113,1234 2.986,1235 3.951,1236 1.437,1237 9.816,1238 2.93,1239 1.911,1240 1.885,1241 2.006,1242 2.044,1243 1.089,1244 2.026,1245 1.879,1246 1.851,1247 1.982,1248 1.986,1249 1.048,1250 1.986,1251 1.609,1252 1.544,1253 1.675,1254 1.848,1255 0.539,1256 1.812,1257 1.124,1258 1.122,1259 1.257,1260 1.429,1261 0.264,1262 1.361,1263 1.019,1264 0.95,1265 1.219,1266 1.298,1267 0.227,1268 1.275,1269 0.916,1270 0.847,1271 1.158,1272 1.164,1273 0.182,1274 1.162,1275 0.857,1276 0.803,1277 1.086,1278 1.068,1279 0.118,1280 1.075,1281 0.653,1282 0.587,1283 0.926,1284 0.936,1286 0.956,1287 3.97,1289 5.263,1291 6.746,1293 8.316,1295 9.926,1299 13.196,1302 9.178,1305 5.684,1314 25.027,1315 65.488,1316 120.833,1317 147.362,1318 173.362,1319 184.117,1320 186.117,1321 42.161,1322 6.955,1323 100.03,1324 100.03,1325 18,1326 12.133,1327 4.322,1328 3.459,1329 39.296,1330 88,1331 76,1332 0.218,1333 155.956,1334 267.83,1335 372.292,1336 9740,1337 2.8,1338 16.941,1339 0.706,1340 0.511,1341 16.071,1342 12.271,1343 11.614,1344 0.447,1345 0.266,1346 6.791,1347 11.035,1348 6.711,1349 5.577,1350 11.22,1351 6.926,1352 10.46,1353 0.299,1354 0.136,1355 9.827,1356 4.744,1357 8.063,1358 0.188,1359 0.071,1360 7.743,1361 3.057,1362 6.91,1363 0.126,1364 0.037,1365 6.56,1366 2.011,1367 5.29,1368 0.081,1369 0.019,1370 5.154,1371 1.247,1372 0.343,1373 73.839,1374 0.24,1375 23.538,1376 0.594,1377 122,1378 483.597,1379 140.25,1380 442.84,1381 587.34,1382 410,1383 139,1384 423.254,1385 154.724,1386 421.296,1387 609.53,1388 395,1389 5.5}
{0 CHEMBL1979970,1 1.828,2 9.304,3 2.914,4 8.494,5 78.801,6 8.815,7 0.64,8 3.724,9 3.845,10 3.412,11 3.23,12 5.019,13 3.258,14 4.21,15 4.368,16 3.779,17 3.584,18 5.514,19 3.602,20 4.443,21 4.644,22 3.871,23 3.607,24 5.93,25 3.638,26 4.388,27 4.599,28 3.76,29 3.499,30 5.813,31 3.538,32 4.274,33 4.466,34 3.66,35 3.418,36 5.763,37 3.457,38 4.178,39 4.374,40 3.578,41 3.383,42 5.536,43 3.399,44 4.154,45 4.365,46 3.518,47 3.288,48 5.564,49 3.301,50 4.074,51 4.313,52 3.236,53 3.111,54 5.447,55 3.087,56 0.175,57 0.725,58 5.13,59 2.99,60 16.963,61 3.254,62 0.335,63 1.105,64 10.289,65 4.983,66 37.108,67 5.905,68 0.742,69 1.371,70 16.849,71 5.819,72 103.614,73 6.88,74 0.684,75 1.163,76 16.388,77 5.016,78 76.948,79 5.9,80 0.684,81 1.025,82 14.105,83 4.293,84 85.532,85 4.723,86 0.466,87 0.965,88 11.989,89 4.179,90 57.13,91 5.111,92 0.515,93 0.93,94 11.887,95 3.653,96 46.401,97 4.781,98 0.538,99 0.783,100 12.626,101 3.682,102 54.511,103 4.779,104 21,105 35,106 0.329,107 0.712,108 0.837,109 0.887,110 0.887,111 0.887,112 3.189,113 0.847,114 -4.82,115 -4.73,116 -4.44,119 41.7,120 1,121 2,142 4,143 2,144 2,146 1,149 1,153 1,158 1,166 1,168 1,172 6,174 1,175 5,178 1,179 1,180 3,183 4,187 1,188 6,191 2,193 3,196 3,200 4,203 3,205 2,208 3,212 1,213 5,216 1,218 3,221 4,224 1,225 4,230 3,233 3,237 1,238 5,243 2,246 2,250 4,255 2,258 2,264 2,272 3,276 690,277 15.508,278 15.508,279 15.508,280 15.508,281 15.508,282 13.43,283 10.255,284 9.137,285 15.769,286 12.276,287 12.276,288 12.276,289 12.276,290 12.276,291 9.142,292 11.42,293 4.232,294 12.739,295 3.342,296 1.213,297 0.521,298 0.243,299 0.243,300 0.243,301 3.867,304 1,305 1,306 1,307 450,308 3.082,311 50.422,312 126.112,315 88.662,319 1.535,320 37.864,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 52.5,332 214,333 4.59,334 3.598,335 6.645,336 4.129,337 3.162,338 4.527,339 1.907,340 10.642,341 3.056,342 4.367,343 3.404,344 6.487,345 3.932,346 2.975,347 4.061,348 0.149,349 10.046,350 2.84,351 3.745,352 3.078,353 5.586,354 3.394,355 2.413,356 3.145,358 7.127,359 2.37,360 3.623,361 2.576,362 5.281,363 3.231,364 2.269,365 2.896,367 6.577,368 2.151,369 3.259,370 2.076,371 4.817,372 2.785,373 1.835,374 2.532,376 5.242,377 1.733,378 2.939,379 1.936,380 4.484,381 2.438,382 1.48,383 2.137,385 4.202,386 1.411,387 2.863,388 1.537,389 4.089,390 2.382,391 1.414,392 2.023,394 3.281,395 1.355,396 2.66,397 1.353,398 3.843,399 2.179,400 1.213,401 1.73,403 3.153,404 1.167,405 2.182,406 1.267,407 3.288,408 2.012,409 1.013,410 1.118,412 1.856,413 1.007,414 2.081,415 0.913,416 3.05,417 1.654,418 0.678,419 0.934,421 1.458,422 0.658,423 1.38,424 0.706,425 2.788,426 1.012,427 0.151,428 0.177,430 0.341,431 0.125,432 1.128,433 0.37,434 2.363,435 0.74,436 -0.21,437 -0.254,439 -0.477,440 -0.199,441 0.9,442 -0.015,443 2.359,444 0.511,445 -0.457,446 -0.564,448 -0.903,449 -0.433,450 0.674,451 -0.113,452 2.236,453 0.428,454 -0.622,455 -0.79,457 -1.292,458 -0.638,459 0.651,460 -0.6,461 2,462 0.136,463 -0.818,464 -1.173,466 -2.22,467 -0.771,468 10.405,469 0.452,470 0.575,471 0.025,472 30.75,473 1.337,474 16,475 0.696,476 14.75,477 0.641,478 16.232,479 0.706,480 24.995,481 0.694,482 22.647,483 0.985,484 6.184,485 0.269,486 4.912,487 0.214,488 0.135,490 0.384,494 2,496 0.574,497 0.944,498 0.621,499 0.976,500 0.522,501 0.86,502 0.586,503 1.09,504 0.641,505 1.123,506 0.579,507 0.974,508 0.892,509 1.026,510 0.789,511 0.963,512 0.867,513 0.872,514 1.115,515 1.029,516 0.949,517 0.888,518 1.088,519 0.852,520 1.234,521 0.889,522 1.083,523 0.809,524 1.278,525 0.859,526 0.87,527 1.053,528 0.903,529 1.031,530 0.821,531 0.987,532 0.757,533 0.929,534 0.961,535 1.034,536 0.704,537 1.054,538 0.938,539 0.845,540 1.135,541 1.023,542 0.936,543 1.112,544 4.5,545 0.066,546 3.111,547 1.792,548 1.142,549 0.781,550 0.503,551 0.387,552 0.205,553 0.12,554 5220,555 18653,556 2.041,557 36.1,558 5,559 4,562 2,563 2,567 1.66,568 1.89,569 3.205,570 0.407,571 1,572 1,574 1,577 65.799,578 1.828,579 3.957,580 4.649,581 4.927,582 4.927,583 4.927,584 2.703,585 4.35,586 4.492,587 3.336,588 844.011,589 7.75,590 9446.67,591 1,592 1,593 1,594 1,595 186.117,596 1.478,597 4.443,598 0.18,599 0.007,600 0.089,601 0.05,602 0.036,603 0.027,604 0.019,605 0.016,606 0.012,607 0.01,608 0.445,609 0.17,610 1,611 1.422,612 106.769,613 -0.007,614 0.032,615 0.021,616 0.031,617 -0.027,618 0.033,619 0.066,620 -0.164,621 0.13,622 -0.118,623 0.026,624 -0.019,625 0.061,626 -0.073,627 0.166,628 -0.001,629 0.088,630 0.086,631 -0.098,632 -0.065,633 0.031,634 0.036,635 -0.08,636 0.074,637 -0.14,638 0.093,639 -0.134,640 0.111,641 -0.134,642 0.024,643 -0.035,644 -0.137,645 -0.003,646 -0.086,647 -0.022,648 -0.045,649 0.094,650 -0.01,651 -0.035,652 -0.137,653 0.059,654 -0.139,655 0.034,656 0.093,657 -0.102,658 -0.094,659 -0.011,660 -0.134,661 2.666,662 5.888,663 0.652,664 18.609,665 1.036,666 1.152,667 3.587,668 12.863,669 0.671,670 3.258,671 3.584,672 3.871,673 4.127,674 4.317,675 4.419,676 4.595,677 4.7,678 4.7,679 4.736,680 5.526,681 0.673,682 317.33,683 3.258,684 4.796,685 5.652,686 6.535,687 7.413,688 8.304,689 9.191,690 10.086,691 10.978,692 11.875,693 13.9,700 1,701 1,703 3,708 2,709 4,710 3,711 1,714 5,716 16,734 2,735 36,737 17,738 1,739 25,741 38,742 15,743 11,744 3,745 3,748 3,749 4,754 1,760 2,762 12,763 3,767 1,772 1,776 1,779 1,780 1,781 2,783 13,784 7,785 2,786 8,792 5,797 0.667,798 1,807 1,808 1,815 1,816 2,819 1,829 1,843 2,847 1,849 2,851 23,858 2,860 1,873 2,874 2.8,877 1,881 12.167,882 6.886,883 5.139,884 2.284,886 3.249,887 1.46,888 1,889 4.199,890 10.311,891 3.555,892 4.201,893 4.831,894 5.46,895 6.004,896 6.389,897 6.898,898 7.348,899 7.614,900 7.978,901 1,902 36,903 8.551,905 3.778,906 8.254,907 15.447,909 12.418,911 2.754,912 63.333,916 129.482,917 87.304,918 84.663,920 25.145,921 29.92,923 87.304,924 154.627,925 114.583,926 8.825,927 23.08,928 37.905,929 79.839,930 47.464,931 29.92,932 129.482,934 129.482,935 171.967,936 55.065,939 161.118,940 25.145,943 53.653,944 66.61,945 49.989,947 159.402,948 109.808,949 87.304,952 129.482,953 40.574,954 46.73,955 34.674,956 105.054,957 129.482,958 139.728,959 87.304,961 0.578,962 0.344,963 0.184,964 0.093,965 17,966 8,967 0.105,968 4,969 1,970 1.133,971 3.456,972 184.111,973 0.133,974 15,975 104.042,981 15.354,982 6.29,983 2.999,984 0.75,985 123.065,986 5.326,987 11.651,988 2.655,991 -1.464,993 34.674,994 356.515,995 34,1000 11.703,1004 -0.173,1007 37.28,1008 41.456,1009 0.354,1010 0.765,1011 0.899,1012 0.953,1013 0.953,1014 0.953,1015 4.779,1016 1.213,1017 5.645,1018 3.281,1019 4.263,1020 4.887,1021 1.953,1022 6.475,1023 4.187,1024 6.009,1025 1.013,1026 7.22,1027 3.153,1028 3.892,1029 4.796,1030 1.593,1031 7.42,1032 3.761,1033 7.334,1034 0.678,1035 8.897,1036 1.856,1037 5.872,1038 7.173,1039 2.904,1040 10.534,1041 5.725,1042 8.699,1043 0.151,1044 10.633,1045 1.458,1046 6.33,1047 7.927,1048 3.032,1049 12.306,1050 6.124,1051 10.097,1052 -0.21,1053 12.406,1054 0.341,1055 7.785,1056 9.782,1057 4.037,1058 14.935,1059 7.564,1060 11.518,1061 -0.457,1062 14.206,1063 -0.477,1064 8.616,1065 10.927,1066 4.409,1067 17.041,1068 8.34,1069 12.957,1070 -0.622,1071 16.024,1072 -0.903,1073 9.868,1074 12.571,1075 5.25,1076 19.498,1077 9.57,1078 3.162,1079 -0.818,1080 17.855,1081 -1.292,1082 10.866,1083 13.901,1084 5.75,1085 21.742,1086 10.519,1087 2.975,1088 10.642,1089 19.698,1090 -2.22,1091 12.04,1092 15.456,1093 6.501,1094 24.133,1095 11.665,1096 2.413,1097 10.046,1098 21.549,1099 4.527,1100 13.112,1101 16.872,1102 7.068,1103 26.435,1104 12.694,1105 2.269,1106 7.127,1107 23.406,1108 4.061,1109 14.258,1110 18.39,1111 7.771,1112 28.8,1113 13.807,1114 1.835,1115 6.577,1116 25.268,1117 3.145,1118 15.363,1119 19.848,1120 8.374,1121 31.128,1122 14.873,1123 1.48,1124 5.242,1125 27.135,1126 2.896,1127 16.5,1128 21.352,1129 9.051,1130 33.483,1131 15.976,1132 1.414,1133 4.202,1134 29.004,1135 2.532,1136 17.621,1137 22.83,1138 9.674,1139 35.823,1140 17.059,1141 5203,1142 9998,1143 16.414,1144 24.165,1145 37.458,1146 39.004,1147 39.139,1148 37.174,1149 37.209,1150 50.557,1151 4.112,1152 107.849,1153 35.745,1154 5.438,1155 5.598,1156 6.417,1157 5.174,1158 5.162,1159 7.527,1160 3.306,1161 17.759,1162 5.056,1163 12.089,1164 1.498,1165 1.56,1166 1.566,1167 1.487,1168 1.488,1169 2.022,1170 0.164,1171 4.314,1172 1.43,1173 4.099,1174 4.147,1175 4.08,1176 3.961,1177 8.239,1178 3.983,1179 3.878,1180 3.909,1181 3.85,1182 3.759,1183 8.161,1184 3.776,1185 3.68,1186 3.737,1187 3.563,1188 3.517,1189 7.429,1190 3.514,1191 3.335,1192 3.412,1193 3.255,1194 3.107,1195 5.205,1196 3.133,1197 3.177,1198 3.246,1199 3.047,1200 2.932,1201 4.661,1202 2.95,1203 2.93,1204 2.981,1205 2.874,1206 2.73,1207 4.467,1208 2.751,1209 2.809,1210 2.891,1211 2.746,1212 2.555,1213 4.107,1214 2.584,1215 2.703,1216 2.783,1217 2.615,1218 2.473,1219 3.945,1220 2.5,1221 0.184,1222 0.144,1223 0.266,1224 0.165,1225 0.126,1226 4.59,1227 0.181,1228 3.598,1229 0.076,1230 6.645,1231 0.426,1232 4.129,1233 0.122,1234 3.162,1235 4.527,1236 1.907,1237 10.642,1238 3.056,1239 1.94,1240 1.918,1241 2.002,1242 2.049,1243 1.178,1244 2.033,1245 1.737,1246 1.703,1247 1.936,1248 1.908,1249 1.113,1250 1.909,1251 1.653,1252 1.598,1253 1.783,1254 1.823,1255 0.896,1256 1.813,1257 1.352,1258 1.261,1259 1.514,1260 1.706,1261 0.555,1262 1.661,1263 1.088,1264 1.011,1265 1.353,1266 1.404,1267 0.33,1268 1.394,1269 0.954,1270 0.917,1271 1.095,1272 1.108,1273 0.16,1274 1.111,1275 0.829,1276 0.786,1277 0.996,1278 1.074,1279 0.028,1280 1.042,1281 0.571,1282 0.475,1283 0.921,1284 0.921,1286 0.934,1287 3.932,1289 5.252,1290 2.398,1291 6.772,1292 4.727,1293 8.385,1294 6.823,1295 10.049,1297 1.89,1299 27.245,1303 1.071,1305 2.678,1314 24.222,1315 65.799,1316 142.466,1317 167.362,1318 177.362,1319 177.362,1320 177.362,1321 53.742,1322 7.062,1323 83.56,1324 83.56,1325 17,1326 12.4,1327 4.17,1328 3.322,1329 36.751,1330 76,1331 87,1332 0.244,1333 149.42,1334 253.09,1335 356.346,1336 9992,1337 5.6,1338 16.397,1339 0.713,1340 0.532,1341 14.656,1342 12.229,1343 11.097,1344 0.444,1345 0.282,1346 6.919,1347 10.492,1348 6.814,1349 5.668,1350 10.275,1351 7.059,1352 9.895,1353 0.283,1354 0.142,1355 8.862,1356 4.965,1357 8.464,1358 0.18,1359 0.07,1360 7.405,1361 3.286,1362 6.977,1363 0.114,1364 0.036,1365 6.334,1366 2.178,1367 5.268,1368 0.071,1369 0.018,1370 4.872,1371 1.303,1372 0.375,1373 71.113,1374 0.247,1375 22.33,1376 0.692,1377 120,1378 517.559,1379 138.924,1380 447.537,1381 590.77,1382 414,1383 142,1384 429.47,1385 161.807,1386 417.914,1387 611.65,1388 393,1389 5.1}
{0 CHEMBL1980142,1 1.926,2 10.571,3 4.411,4 19.455,5 86.145,6 10.534,7 0.567,8 3.808,9 3.904,10 3.612,11 3.292,12 5.196,13 3.373,14 4.352,15 4.468,16 4.152,17 3.637,18 6.492,19 3.729,20 4.483,21 4.642,22 4.082,23 3.731,24 6.052,25 3.804,26 4.564,27 4.735,28 4.117,29 3.666,30 6.246,31 3.773,32 4.525,33 4.696,34 4.029,35 3.545,36 6.224,37 3.669,38 4.44,39 4.641,40 3.784,41 3.36,42 6.098,43 3.465,44 4.214,45 4.392,46 3.705,47 3.248,48 6.123,49 3.342,50 4.07,51 4.228,52 3.648,53 3.254,54 6.008,55 3.317,56 0.469,57 1.081,58 2.325,59 3.273,60 82.516,61 2.474,62 1.487,63 2.163,64 6.634,65 5.575,66 256.084,67 4.31,68 1.079,69 1.691,70 9.79,71 5.851,72 148.442,73 5.395,74 1.426,75 1.803,76 12.648,77 6.648,78 211.244,79 5.7,80 1.457,81 1.647,82 12.645,83 6.228,84 218.439,85 4.997,86 1.569,87 1.207,88 16.589,89 5.755,90 252.87,91 4.879,92 1.275,93 0.984,94 12.164,95 4.435,96 222.67,97 3.935,98 1.004,99 0.989,100 8.115,101 4.095,102 171.687,103 3.662,104 54,105 45,106 0.342,107 0.618,108 0.74,109 0.869,110 0.888,111 0.888,112 3.374,113 0.763,114 -4.83,115 -4.74,116 -4.45,119 44.7,132 2,142 7,143 2,144 1,145 1,146 2,147 1,159 1,172 6,175 5,178 3,179 1,180 3,183 6,188 3,193 2,196 3,199 1,200 4,203 2,205 6,208 2,213 2,218 3,221 1,224 1,225 5,228 1,230 3,233 2,238 2,243 1,246 3,249 1,250 3,258 5,264 2,272 4,276 1162,277 17.736,278 17.736,279 17.736,280 17.736,281 17.736,282 15.656,283 20.633,284 10.14,285 18.449,286 14.834,287 14.834,288 14.834,289 14.834,290 14.834,291 11.631,292 28.555,293 4.802,294 16.149,295 3.321,296 1.767,297 1.083,298 0.356,299 0.25,300 0.25,301 4.047,305 1,306 1,307 619,308 4.472,312 240.846,316 125.944,319 1.602,320 70.725,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 68,332 296,333 4.696,334 4.47,335 7.295,336 4.319,337 3.417,338 4.572,339 3.825,340 12.505,341 3.155,342 4.453,343 4.46,344 7.116,345 4.168,346 3.32,347 3.869,348 3.825,349 11.69,350 2.836,351 4.205,352 3.569,353 6.47,354 3.859,355 2.934,356 3.541,357 1.656,358 9.972,359 2.666,360 3.871,361 3.049,362 5.552,363 3.513,364 2.581,365 3.147,366 0.247,367 7.532,368 2.38,369 3.551,370 2.584,371 5.382,372 3.145,373 2.21,374 2.78,376 6.752,377 2.034,378 3.281,379 2.272,380 4.845,381 2.835,382 1.882,383 2.483,385 5.401,386 1.752,387 3.118,388 1.844,389 4.473,390 2.586,391 1.618,392 2.427,394 4.292,395 1.562,396 2.876,397 1.618,398 4.276,399 2.431,400 1.493,401 1.994,403 3.754,404 1.375,405 2.775,406 1.438,407 4.078,408 2.279,409 1.296,410 1.902,412 3.523,413 1.266,414 2.57,415 1.189,416 3.49,417 2.062,418 1.113,419 1.6,421 2.54,422 1.044,423 2.421,424 1.155,425 3.453,426 1.952,427 1,428 1.384,430 2.354,431 0.942,432 1.372,433 0.612,434 3.007,435 1.009,436 0.074,437 0.09,439 0.201,440 0.069,441 1.179,442 0.51,443 2.768,444 0.758,445 -0.228,446 -0.303,448 -0.574,449 -0.221,450 0.882,451 0.51,452 2.702,453 0.418,454 -0.572,455 -0.769,457 -1.477,458 -0.557,459 0.852,460 0.51,461 2.427,462 0.358,463 -0.618,464 -0.927,466 -1.599,467 -0.604,468 12.148,469 0.434,470 1.118,471 0.04,472 37.25,473 1.33,474 18.5,475 0.661,476 18.75,477 0.67,478 19.833,479 0.708,480 31.652,481 0.833,482 34.184,483 1.221,484 7.878,485 0.281,486 5.175,487 0.185,488 0.169,489 0.082,490 0.288,493 6,496 0.63,497 0.938,498 0.525,499 0.982,500 0.648,501 0.82,502 0.38,503 0.682,504 0.55,505 0.936,506 0.384,507 0.975,508 0.65,509 0.818,510 0.758,511 0.986,512 0.599,513 1,514 0.949,515 0.989,516 0.976,517 1.07,518 0.923,519 1.067,520 1.103,521 1.06,522 1.111,523 1.151,524 1.089,525 1.143,526 1.246,527 0.868,528 1.35,529 0.853,530 1.298,531 1.004,532 0.898,533 0.739,534 1.051,535 0.714,536 0.933,537 0.862,538 0.642,539 0.684,540 0.901,541 0.779,542 0.675,543 0.967,544 8.5,545 0.227,546 3.778,547 2.75,548 1.804,549 1.222,550 0.73,551 0.359,552 0.255,553 0.297,554 9162,555 46703,556 1.956,557 26.3,559 7,561 1,562 2,567 1.71,568 1.768,569 3.374,570 0.388,572 1,577 73.205,578 1.926,579 3.481,580 4.165,581 4.892,582 4.998,583 4.998,584 2.727,585 4.039,586 4.784,587 3.582,588 1354.06,589 8.31,590 17975.3,592 1,594 1,595 199.421,596 1.796,597 4.685,598 0.283,599 0.009,600 0.084,601 0.061,602 0.041,603 0.031,604 0.024,605 0.013,606 0.009,607 0.012,608 0.568,609 0.33,610 1,611 0.944,612 140.668,613 -0.065,614 -0.084,615 -0.014,616 -0.015,617 -0.103,618 0.029,619 0.469,620 0.334,621 0.144,622 0.042,623 0.448,624 -0.143,625 -0.012,626 -0.082,627 0.046,628 -0.081,629 0.019,630 -0.022,631 -0.107,632 -0.118,633 -0.05,634 -0.136,635 -0.092,636 -0.088,637 -0.199,638 -0.194,639 -0.134,640 -0.219,641 -0.176,642 -0.161,643 -0.25,644 -0.015,645 -0.207,646 0.081,647 -0.279,648 0.055,649 0.045,650 0.098,651 0.002,652 0.22,653 0.038,654 0.159,655 0.207,656 0.18,657 0.01,658 0.177,659 0.176,660 0.017,661 5.941,662 5.094,663 0.571,664 23.464,665 1.082,666 1.177,667 3.6,668 12.957,669 0.676,670 3.434,671 3.829,672 4.007,673 4.263,674 4.477,675 4.477,676 4.595,677 4.605,678 4.635,679 4.654,680 6.616,681 0.717,682 400.31,683 3.434,684 5.017,685 5.855,686 6.765,687 7.626,688 8.532,689 9.403,690 10.306,691 11.182,692 12.083,693 10.5,700 2,703 2,708 2,709 8,710 2,714 4,716 17,735 38,737 18,738 1,739 30,741 40,742 17,743 14,744 3,745 3,748 3,749 4,753 1,754 2,759 2,762 15,763 2,767 1,772 1,776 1,780 1,781 6,783 10,784 11,785 2,786 11,792 4,797 0.667,798 1,809 2,816 3,820 1,843 2,849 6,851 28,860 2,865 2,873 6,874 2.6,877 1,881 15.833,882 6.84,883 5.833,884 2.007,886 3.429,887 1.466,888 1.004,889 5.077,890 10.794,891 3.701,892 4.344,893 4.902,894 5.519,895 6.082,896 6.304,897 6.686,898 6.97,899 7.248,900 7.281,901 0.857,902 45,903 11.496,905 6.143,906 8.935,907 17.787,909 14.324,911 3.435,912 96.167,916 94.169,917 110.92,918 69.593,920 25.145,921 89.761,923 110.92,924 119.314,925 159.353,927 36.022,928 66.334,929 70.487,930 112.224,931 6.604,932 82.398,933 15.519,934 94.169,935 180.513,936 114.906,939 94.169,940 114.906,943 65.489,944 81.453,945 33.571,947 183.929,948 94.737,949 110.92,952 109.688,953 20.02,954 75.381,955 36.022,956 148.477,957 94.169,958 184.498,959 110.92,961 0.605,962 0.328,963 0.171,964 0.096,965 22,966 11,967 0.05,968 2,969 1,970 1.125,971 3.769,972 241.01,973 0.125,974 16,975 125.096,981 19.753,982 7.197,983 4.474,984 -0.352,985 184.498,986 8.616,987 6.985,991 -2.551,993 36.022,994 389.587,995 39.5,1000 12.082,1004 -0.975,1007 41.112,1008 44.732,1009 0.367,1010 0.663,1011 0.794,1012 0.932,1013 0.952,1014 0.952,1015 4.978,1016 1.493,1017 5.938,1018 4.292,1019 4.511,1020 5.03,1021 3.817,1022 6.838,1023 4.351,1024 6.247,1025 1.296,1026 7.57,1027 3.754,1028 4.511,1029 5.047,1030 4.61,1031 8.199,1032 4.121,1033 7.601,1034 1.113,1035 9.321,1036 3.523,1037 6.282,1038 7.292,1039 6.134,1040 11.189,1041 5.928,1042 8.99,1043 1,1044 11.142,1045 2.54,1046 7.013,1047 8.047,1048 7.388,1049 13.283,1050 6.432,1051 10.408,1052 0.074,1053 13.006,1054 2.354,1055 8.395,1056 9.868,1057 8.755,1058 15.922,1059 7.81,1060 11.846,1061 -0.228,1062 14.899,1063 0.201,1064 9.411,1065 10.991,1066 10.083,1067 18.268,1068 8.644,1069 13.302,1070 -0.572,1071 16.811,1072 -0.574,1073 10.667,1074 12.629,1075 11.428,1076 20.806,1077 9.854,1078 3.417,1079 -0.618,1080 18.737,1081 -1.477,1082 11.796,1083 13.942,1084 12.768,1085 23.245,1086 10.84,1087 3.32,1088 12.505,1089 20.673,1090 -1.599,1091 13.013,1092 15.5,1093 14.11,1094 25.754,1095 11.986,1096 2.934,1097 11.69,1098 22.617,1099 4.572,1100 14.188,1101 16.911,1102 15.451,1103 28.229,1104 13.044,1105 2.581,1106 9.972,1107 24.567,1108 3.869,1109 15.395,1110 18.436,1111 16.793,1112 30.732,1113 14.169,1114 2.21,1115 7.532,1116 26.522,1117 3.541,1118 16.589,1119 19.896,1120 18.134,1121 33.223,1122 15.261,1123 1.882,1124 6.752,1125 28.481,1126 3.147,1127 17.796,1128 21.41,1129 19.476,1130 35.726,1131 16.383,1132 1.618,1133 5.401,1134 30.442,1135 2.78,1136 18.999,1137 22.897,1138 20.818,1139 38.226,1140 17.493,1141 9094,1142 20688,1143 18.781,1144 25.671,1145 46.781,1146 45.222,1147 46.875,1148 46.236,1149 45.875,1150 59.577,1151 19.108,1152 141.031,1153 42.159,1154 5.569,1155 6.47,1156 6.841,1157 5.382,1158 5.417,1159 7.572,1160 5.335,1161 20.345,1162 5.155,1163 18.202,1164 1.559,1165 1.507,1166 1.563,1167 1.541,1168 1.529,1169 1.986,1170 0.637,1171 4.701,1172 1.405,1173 4.091,1174 4.118,1175 4.065,1176 4.011,1177 8.517,1178 4.02,1179 3.909,1180 3.95,1181 3.881,1182 3.773,1183 8.509,1184 3.79,1185 3.584,1186 3.626,1187 3.562,1188 3.414,1189 7.999,1190 3.43,1191 3.412,1192 3.457,1193 3.409,1194 3.128,1195 7.999,1196 3.182,1197 3.285,1198 3.336,1199 3.257,1200 3.038,1201 7.999,1202 3.079,1203 3.26,1204 3.307,1205 3.218,1206 2.942,1207 7.999,1208 3.003,1209 2.856,1210 2.938,1211 2.787,1212 2.608,1213 7.431,1214 2.632,1215 2.681,1216 2.732,1217 2.603,1218 2.541,1219 4.969,1220 2.545,1221 0.157,1222 0.149,1223 0.243,1224 0.144,1225 0.114,1226 4.696,1227 0.152,1228 4.47,1229 0.128,1230 7.295,1231 0.417,1232 4.319,1233 0.105,1234 3.417,1235 4.572,1236 3.825,1237 12.505,1238 3.155,1239 2.04,1240 2.019,1241 2.1,1242 2.135,1243 1.239,1244 2.124,1245 1.838,1246 1.802,1247 1.929,1248 1.996,1249 0.968,1250 1.973,1251 1.502,1252 1.464,1253 1.641,1254 1.707,1255 0.688,1256 1.672,1257 1.25,1258 1.204,1259 1.376,1260 1.546,1261 0.334,1262 1.498,1263 1.124,1264 1.086,1265 1.216,1266 1.419,1267 0.287,1268 1.349,1269 1.044,1270 1.006,1271 1.141,1272 1.398,1273 0.131,1274 1.307,1275 0.75,1276 0.682,1277 0.971,1278 1.055,1279 0.053,1280 1.034,1281 0.664,1282 0.61,1283 0.899,1284 0.856,1286 0.873,1287 4.111,1289 5.485,1291 7.04,1293 8.678,1295 10.362,1299 77.295,1305 4.4,1310 -9.335,1314 27.261,1315 73.205,1316 132.26,1317 158.26,1318 185.911,1319 189.911,1320 189.911,1321 86.636,1322 7.365,1323 66.91,1324 66.91,1325 18,1326 12.609,1327 4.248,1328 3.392,1329 49.787,1330 113,1331 90,1332 0.218,1333 163.676,1334 298.33,1335 391.13,1336 15983,1337 15.8,1338 20.527,1339 0.733,1340 0.489,1341 15.527,1342 13.689,1343 13.054,1344 0.435,1345 0.254,1346 7.397,1347 12.139,1348 7.397,1349 6.027,1350 10.631,1351 7.627,1352 13.594,1353 0.302,1354 0.123,1355 9.641,1356 5.543,1357 9.398,1358 0.174,1359 0.067,1360 7.681,1361 3.606,1362 7.972,1363 0.114,1364 0.035,1365 6.688,1366 2.446,1367 6.498,1368 0.075,1369 0.018,1370 5.176,1371 1.598,1372 0.344,1373 85.078,1374 0.231,1375 26.616,1376 0.596,1377 150,1378 880.358,1379 194.352,1380 684.444,1381 864.4,1382 628,1383 174,1384 585.425,1385 205.064,1386 551.208,1387 846.08,1388 516,1389 5.1}
{0 CHEMBL1980144,1 1.735,2 13.367,3 2.729,4 7.446,5 117.735,6 8.719,7 0.667,8 3.994,9 4.11,10 3.724,11 3.59,12 5.23,13 3.571,14 4.444,15 4.582,16 4.094,17 3.959,18 5.71,19 3.918,20 4.652,21 4.818,22 4.114,23 4.035,24 5.864,25 3.989,26 4.736,27 4.932,28 4.131,29 3.977,30 5.988,31 3.928,32 4.7,33 4.917,34 3.908,35 3.855,36 6.045,37 3.79,38 4.507,39 4.702,40 3.766,41 3.753,42 5.763,43 3.704,44 4.398,45 4.592,46 3.748,47 3.804,48 5.53,49 3.701,50 4.406,51 4.602,52 3.621,53 3.741,54 5.532,55 3.642,56 0.1,57 0.77,58 7.777,59 3.844,60 11.407,61 4.243,62 0.315,63 1.182,64 15.017,65 6.673,66 26.539,67 7.885,68 0.287,69 1.376,70 18.429,71 7.827,72 37.29,73 8.946,74 0.391,75 1.459,76 25.509,77 8.662,78 40.185,79 10.222,80 0.615,81 1.296,82 27.31,83 9.279,84 81.48,85 10.877,86 0.5,87 1.072,88 19.572,89 6.684,90 74.783,91 7.05,92 0.298,93 1.028,94 18.201,95 7.454,96 32.583,97 9.092,98 0.233,99 1.04,100 17.187,101 6.836,102 30.895,103 8.163,104 17,105 46,106 0.289,107 0.628,108 0.746,109 0.825,110 0.866,111 0.88,112 3.44,113 0.902,114 -3.77,115 -3.74,116 -3.55,119 43.8,120 1,142 8,143 3,144 3,147 1,148 1,151 1,158 1,159 1,161 1,163 1,164 1,165 1,172 8,174 1,175 4,177 1,178 4,179 1,180 8,183 9,185 1,188 3,193 9,196 6,198 1,200 8,202 1,203 1,205 7,208 3,210 1,212 2,213 7,215 1,216 3,217 2,218 5,220 1,221 4,225 1,230 1,233 8,238 4,241 2,242 1,243 3,246 12,248 2,250 4,255 3,258 8,260 2,263 1,264 1,267 1,269 4,272 2,276 1456,277 20.223,278 20.223,279 20.223,280 20.223,281 20.223,282 17.247,283 22.999,284 11.91,285 20.681,286 16.282,287 16.282,288 16.282,289 16.282,290 16.282,291 11.851,292 30.732,293 5.655,294 17.006,295 3.85,296 1.814,297 1.107,298 0.633,299 0.391,300 0.307,301 4.135,305 1,306 1,307 874,308 3.606,311 74.696,312 310.395,315 139.549,319 2.209,320 31.394,323 1,324 1,325 1,326 0.4,328 0.83,329 0.5,330 0.68,331 65,332 401,333 4.659,334 3.621,335 6.87,336 4.184,337 3.22,338 4.613,339 1.656,340 11.41,341 3.108,342 4.192,343 3.568,344 6.054,345 3.821,346 2.844,347 3.79,348 1.058,349 8.709,350 2.776,351 4.072,352 3.033,353 5.783,354 3.669,355 2.696,356 3.659,357 0.247,358 7.891,359 2.619,360 3.816,361 2.895,362 5.521,363 3.445,364 2.474,365 3.18,367 7.359,368 2.389,369 3.596,370 2.662,371 5.213,372 3.198,373 2.214,374 2.883,376 6.464,377 2.167,378 3.421,379 2.24,380 5.033,381 2.9,382 1.993,383 2.805,385 5.675,386 1.863,387 3.293,388 2.087,389 4.766,390 2.846,391 1.901,392 2.524,394 5.295,395 1.713,396 2.939,397 1.757,398 4.21,399 2.414,400 1.435,401 2.09,403 3.626,404 1.414,405 2.874,406 1.669,407 4.078,408 2.395,409 1.414,410 2.037,412 3.517,413 1.375,414 2.804,415 1.472,416 3.756,417 2.358,418 1.371,419 1.912,421 2.958,422 1.339,423 2.522,424 1.14,425 3.595,426 2,427 1.016,428 1.502,430 2.573,431 1,432 2.5,433 1,434 3.414,435 1.943,436 1,437 1.5,439 2.275,440 0.926,441 2.154,442 0.824,443 3.303,444 1.549,445 0.707,446 0.988,448 1.746,449 0.581,450 1.504,451 0.778,452 2.973,453 1.203,454 0.245,455 0.291,457 0.604,458 0.233,459 1.391,460 0.574,461 2.676,462 1.029,463 0.032,464 0.041,466 0.072,467 0.032,468 14.4,469 0.48,470 0.75,471 0.025,472 44.75,473 1.492,474 25,475 0.833,476 19.75,477 0.658,478 20.691,479 0.69,480 30.6,481 0.638,482 33.66,483 1.122,484 8.871,485 0.296,486 5.637,487 0.188,488 0.109,490 0.347,496 0.854,497 1.115,498 0.718,499 0.798,500 0.679,501 0.757,502 0.459,503 1.021,504 0.807,505 0.981,506 0.508,507 0.91,508 1.125,509 1.226,510 0.892,511 0.993,512 1.015,513 1.034,514 1.1,515 1.259,516 0.965,517 1.201,518 1.055,519 1.082,520 1.184,521 0.813,522 1.035,523 0.98,524 1.352,525 0.957,526 1.952,527 0.715,528 1.034,529 0.635,530 2.1,531 0.809,532 0.536,533 0.914,534 0.998,535 1.03,536 0.59,537 1.021,538 0.9,539 1.149,540 1.155,541 1.18,542 0.828,543 1.229,544 6,545 0.099,546 3.333,547 2.188,548 1.988,549 0.583,550 0.737,551 0.281,552 0.226,553 0.221,554 13670,555 41314,556 2.087,557 37.5,558 3,559 8,560 1,561 1,562 5,567 1.721,568 1.957,569 3.66,570 2.452,572 1,577 83.271,578 1.735,579 3.771,580 4.478,581 4.952,582 5.194,583 5.278,584 3.044,585 4.548,586 4.881,587 3.882,588 1688.81,589 8.473,590 24850.2,592 1,594 1,595 268.078,596 1.4,597 4.839,598 0.182,599 0.005,600 0.072,601 0.048,602 0.047,603 0.016,604 0.023,605 0.009,606 0.008,607 0.01,608 0.421,609 0.17,610 1,611 0.551,612 157.731,613 -0.151,614 0.004,615 0.024,616 0.102,617 -0.128,618 0.082,619 0.296,620 0.053,621 0.062,622 -0.012,623 0.119,624 -0.01,625 -0.178,626 -0.205,627 -0.066,628 -0.093,629 -0.117,630 -0.129,631 -0.039,632 -0.262,633 0.041,634 -0.226,635 -0.009,636 -0.125,637 0.124,638 0.113,639 0.005,640 0.002,641 0.119,642 0.041,643 -0.473,644 0.236,645 -0.125,646 0.267,647 -0.399,648 0.116,649 0.165,650 0.038,651 -0.001,652 0.018,653 0.076,654 0.012,655 -0.142,656 -0.175,657 -0.239,658 -0.212,659 -0.119,660 -0.242,661 2.013,662 5.644,663 0.7,664 32.267,665 1.013,666 1.121,667 2.543,668 6.469,669 0.712,670 3.526,671 3.85,672 4.111,673 4.369,674 4.533,675 4.489,676 4.585,677 4.682,678 4.673,679 4.771,680 7.959,681 0.686,682 418.52,683 3.526,684 5.069,685 5.916,686 6.792,687 7.654,688 8.532,689 9.401,690 10.28,691 11.153,692 12.033,693 12.5,697 1,700 3,703 2,708 2,709 10,710 2,713 1,714 6,716 22,723 1,727 1,735 48,737 24,738 2,739 33,741 51,742 21,743 18,744 4,745 8,746 1,748 4,749 5,753 1,754 1,762 20,763 1,767 2,772 2,776 2,780 1,783 18,784 8,785 5,786 9,787 1,792 6,797 0.75,798 2,810 1,815 1,816 3,819 1,843 3,845 1,847 1,851 30,852 1,860 3,869 1,874 4.2,877 2,881 15.333,882 8.817,883 6.556,884 2.574,886 4.044,887 1.525,888 1.027,889 5.813,890 11.747,891 3.85,892 4.48,893 5.068,894 5.672,895 6.155,896 6.311,897 6.635,898 7.011,899 7.07,900 7.389,901 0.889,902 46,903 11.044,905 4.734,906 7.9,907 20.571,909 16.599,911 2.4,912 72,915 1,916 153.024,917 161.02,918 120.5,920 50.29,922 31.278,923 129.743,924 203.314,925 120.5,926 8.825,927 54.032,928 116.356,929 100.654,930 25.833,931 18.375,932 160.76,934 153.024,935 250.243,936 50.29,937 31.278,939 153.024,940 50.29,943 71.793,944 144.879,945 33.571,946 31.278,947 153.024,948 170.79,949 161.02,952 153.024,953 60.117,954 100.903,955 54.032,956 116.758,957 153.024,958 170.79,959 161.02,961 0.583,962 0.342,963 0.187,964 0.099,965 22,966 10,967 0.078,968 4,969 1,970 1.095,971 4.251,972 258.932,973 0.095,974 21,975 138.452,977 1,981 20.106,982 8.674,983 4.544,984 1.207,985 170.79,986 17.413,987 8.079,990 1.331,991 3.582,993 86.929,994 484.835,995 46,1000 24.838,1004 -0.651,1007 48.643,1008 53.82,1009 0.311,1010 0.675,1011 0.802,1012 0.887,1013 0.93,1014 0.945,1015 5.072,1016 1.435,1017 5.9,1018 5.295,1019 4.533,1020 5.168,1021 2.084,1022 6.701,1023 4.453,1024 6.294,1025 1.414,1026 7.453,1027 3.626,1028 4.111,1029 4.987,1030 1.195,1031 7.585,1032 4.028,1033 7.605,1034 1.371,1035 9.106,1036 3.517,1037 6.116,1038 7.405,1039 2.617,1040 10.693,1041 5.97,1042 8.952,1043 1.016,1044 10.818,1045 2.958,1046 6.509,1047 8.065,1048 2.324,1049 12.452,1050 6.355,1051 10.331,1052 1,1053 12.57,1054 2.573,1055 7.985,1056 9.955,1057 3.348,1058 15.087,1059 7.781,1060 11.733,1061 0.707,1062 14.352,1063 2.275,1064 8.764,1065 11.036,1066 3.407,1067 17.23,1068 8.542,1069 13.154,1070 0.245,1071 16.157,1072 1.746,1073 10.028,1074 12.704,1075 4.204,1076 19.714,1077 9.765,1078 3.22,1079 0.032,1080 17.979,1081 0.604,1082 10.995,1083 14.004,1084 4.464,1085 22.025,1086 10.705,1087 2.844,1088 11.41,1089 19.818,1090 0.072,1091 12.175,1092 15.578,1093 5.132,1094 24.465,1095 11.848,1096 2.696,1097 8.709,1098 21.668,1099 4.613,1100 13.234,1101 16.989,1102 5.504,1103 26.846,1104 12.874,1105 2.474,1106 7.891,1107 23.53,1108 3.79,1109 14.385,1110 18.525,1111 6.1,1112 29.276,1113 13.989,1114 2.214,1115 7.359,1116 25.401,1117 3.659,1118 15.489,1119 19.993,1120 6.531,1121 31.686,1122 15.058,1123 1.993,1124 6.464,1125 27.28,1126 3.18,1127 16.633,1128 21.517,1129 7.087,1130 34.116,1131 16.167,1132 1.901,1133 5.675,1134 29.165,1135 2.883,1136 17.761,1137 23.012,1138 7.551,1139 36.539,1140 17.258,1141 12858,1142 22568,1143 22.076,1144 34.159,1145 49.664,1146 51.218,1147 51.084,1148 49.09,1149 49.123,1150 67.63,1151 5.923,1152 140.352,1153 47.071,1154 5.534,1155 5.621,1156 6.558,1157 5.293,1158 5.22,1159 7.613,1160 2.912,1161 18.549,1162 5.108,1163 14.491,1164 1.505,1165 1.552,1166 1.548,1167 1.488,1168 1.489,1169 2.049,1170 0.179,1171 4.253,1172 1.426,1173 4.07,1174 4.089,1175 4.321,1176 4.046,1177 7.432,1178 4.005,1179 3.949,1180 3.983,1181 3.902,1182 3.87,1183 7.428,1184 3.867,1185 3.886,1186 3.919,1187 3.829,1188 3.818,1189 5.216,1190 3.815,1191 3.477,1192 3.526,1193 3.447,1194 3.216,1195 4.786,1196 3.261,1197 3.37,1198 3.413,1199 3.422,1200 3.131,1201 4.75,1202 3.164,1203 3.17,1204 3.257,1205 3.277,1206 3.024,1207 4.735,1208 2.999,1209 3.127,1210 3.182,1211 2.965,1212 2.97,1213 4.274,1214 2.944,1215 2.973,1216 3.077,1217 2.867,1218 2.749,1219 4.064,1220 2.75,1221 0.141,1222 0.11,1223 0.208,1224 0.127,1225 0.098,1226 4.659,1227 0.14,1228 3.621,1229 0.05,1230 6.87,1231 0.346,1232 4.184,1233 0.094,1234 3.22,1235 4.613,1236 1.656,1237 11.41,1238 3.108,1239 1.922,1240 1.892,1241 2.038,1242 2.038,1243 1.136,1244 2.035,1245 1.893,1246 1.865,1247 1.998,1248 1.997,1249 1.084,1250 1.999,1251 1.805,1252 1.778,1253 1.839,1254 1.948,1255 0.949,1256 1.928,1257 1.471,1258 1.467,1259 1.553,1260 1.656,1261 0.619,1262 1.623,1263 1.27,1264 1.226,1265 1.48,1266 1.533,1267 0.604,1268 1.51,1269 1.207,1270 1.126,1271 1.382,1272 1.418,1273 0.355,1274 1.469,1275 1.013,1276 0.972,1277 1.181,1278 1.289,1279 0.22,1280 1.285,1281 0.886,1282 0.821,1283 1.179,1284 1.154,1285 0.218,1286 1.166,1287 4.205,1289 5.525,1290 2.398,1291 7.034,1292 4.727,1293 8.63,1294 6.862,1295 10.269,1297 1.92,1301 5.893,1305 8.387,1314 32.906,1315 83.271,1316 180.985,1317 214.959,1318 237.714,1319 249.323,1320 253.323,1321 53.026,1322 7.704,1323 122.03,1324 150.27,1325 23,1326 12.571,1327 4.644,1328 3.807,1329 47.469,1330 147,1331 124,1332 0.157,1333 207.396,1334 349.23,1335 497.807,1336 26908,1338 21.087,1339 0.703,1340 0.56,1341 21.441,1342 16.787,1343 14.508,1344 0.44,1345 0.301,1346 8.995,1347 13.558,1348 8.698,1349 7.254,1350 14.962,1351 9.917,1352 13.185,1353 0.287,1354 0.16,1355 13.736,1356 7.372,1357 10.933,1358 0.182,1359 0.089,1360 11.607,1361 5.324,1362 9.252,1363 0.119,1364 0.049,1365 10.137,1366 3.793,1367 7.262,1368 0.079,1369 0.026,1370 7.991,1371 2.348,1372 0.255,1373 95.166,1374 0.213,1375 28.986,1376 0.406,1377 158,1378 487.933,1379 196.174,1380 500.779,1381 682.2,1382 466,1383 185,1384 489.208,1385 219.022,1386 513.038,1387 746.19,1388 481,1389 6.4}
{0 CHEMBL1980163,1 1.428,2 11.72,3 5.045,4 25.447,5 98.708,6 7.795,7 0.821,8 3.845,9 3.952,10 3.469,11 3.465,12 4.988,13 3.447,14 4.31,15 4.448,16 3.777,17 3.813,18 5.424,19 3.775,20 4.528,21 4.715,22 3.789,23 3.882,24 5.552,25 3.818,26 4.527,27 4.749,28 3.612,29 3.766,30 5.501,31 3.68,32 4.422,33 4.658,34 3.53,35 3.714,36 5.375,37 3.621,38 4.303,39 4.506,40 3.475,41 3.701,42 5.283,43 3.605,44 4.296,45 4.512,46 3.366,47 3.64,48 5.264,49 3.52,50 4.204,51 4.461,52 3.118,53 3.393,54 5.066,55 3.258,56 0.02,57 0.572,58 7.496,59 3.539,60 6.794,61 4.425,62 0.126,63 0.917,64 13.169,65 5.774,66 16.097,67 7.178,68 0.121,69 1.121,70 18.287,71 7.411,72 21.27,73 9.562,74 0.22,75 1.123,76 19.928,77 7.438,78 27.596,79 9.652,80 0.225,81 1.005,82 18.296,83 6.906,84 24.68,85 9.317,86 0.112,87 0.874,88 14.955,89 6.35,90 17.649,91 8.419,92 0.131,93 0.869,94 15.052,95 6.414,96 19.79,97 8.752,98 0.085,99 0.773,100 15.153,101 6.127,102 17.559,103 8.474,105 37,106 0.245,107 0.495,108 0.649,109 0.814,110 0.853,111 0.853,112 3.266,113 0.87,114 -5.82,115 -5.68,116 -5.29,119 50,125 1,142 13,143 2,144 2,146 1,147 1,148 1,172 12,174 1,175 6,178 1,180 3,183 12,188 7,193 3,196 7,200 7,203 1,205 2,208 4,213 4,216 1,218 1,221 10,225 2,233 14,237 1,238 3,243 1,246 12,250 1,255 2,258 4,263 1,264 3,269 2,272 1,276 903,277 17.568,278 17.568,279 17.568,280 17.568,281 17.568,282 14.807,283 17.031,284 10.757,285 17.873,286 13.881,287 13.881,288 13.881,289 13.881,290 13.881,291 9.895,292 26.812,293 5.165,294 14.383,295 3.964,296 2.51,297 1.612,298 0.657,299 0.429,300 0.429,301 3.975,305 1,306 1,307 652,308 2.449,312 299.023,316 113.756,319 2.016,320 11.837,323 0.75,324 0.83,325 1,326 0.6,328 1,329 1,330 0.74,331 52.5,332 293,333 4.5,334 3.112,335 6.515,336 4.014,337 3.046,338 4.433,339 1.151,340 10.241,341 2.951,342 4.046,343 2.99,344 5.545,345 3.628,346 2.667,347 3.643,348 0.4,349 7.525,350 2.563,351 3.889,352 2.676,353 5.372,354 3.491,355 2.503,356 3.44,358 7.034,359 2.474,360 3.583,361 2.459,362 5.227,363 3.179,364 2.236,365 2.959,367 6.569,368 2.097,369 3.33,370 2.003,371 4.96,372 2.866,373 1.912,374 2.649,376 5.662,377 1.819,378 3.118,379 1.636,380 4.142,381 2.573,382 1.618,383 2.427,385 3.769,386 1.544,387 2.916,388 1.618,389 3.639,390 2.484,391 1.493,392 2.085,394 3.149,395 1.478,396 2.768,397 1.275,398 3.592,399 2.238,400 1.271,401 1.901,403 2.83,404 1.225,405 2.5,406 1.107,407 3.414,408 2,409 1,410 1.5,412 2.275,413 1,414 2.5,415 1,416 3.35,417 2,418 1,419 1.5,421 2.15,422 1,423 2.357,424 1,425 3.247,426 1.878,427 0.922,428 1.296,430 2.136,431 0.878,432 1.903,433 0.928,434 3.131,435 1.585,436 0.683,437 0.809,439 1.582,440 0.609,441 1.412,442 0.317,443 2.818,444 1.045,445 0.11,446 0.138,448 0.275,449 0.102,450 1.043,451 -0.097,452 2.349,453 0.62,454 -0.327,455 -0.423,457 -0.786,458 -0.308,459 0.882,460 -0.452,461 2.235,462 0.347,463 -0.618,464 -0.846,466 -1.478,467 -0.593,468 12.033,469 0.481,470 0.376,471 0.015,472 39,473 1.56,474 23,475 0.92,476 16,477 0.64,478 14.175,479 0.567,480 24.567,481 0.585,482 25.518,483 1.021,484 7.936,485 0.317,486 4.446,487 0.178,490 0.249,496 0.889,497 1.123,498 0.735,499 0.941,500 0.872,501 0.84,502 1.146,503 1.057,504 0.955,505 1.03,506 1.017,507 0.988,508 1.248,509 1.228,510 1.022,511 1.117,512 1.019,513 1.059,514 1.478,515 1.054,516 1.117,517 1.015,518 1.232,519 1.026,520 1.06,521 0.798,522 0.942,523 0.793,524 1.013,525 0.839,526 0.923,527 0.923,528 1.016,529 0.974,530 0.99,531 1.002,532 0.607,533 1.019,534 1.073,535 1.137,536 0.884,537 1.153,538 0.781,539 1.047,540 0.935,541 1.098,542 0.866,543 1.047,544 3.5,545 0.062,546 2,547 0.75,548 1.009,549 0.451,550 0.181,551 0.243,552 0.151,553 0.066,554 8610,555 21205,556 2.204,557 40.5,559 15,561 1,562 1,567 1.673,568 2.174,569 3.493,570 -0.396,577 59.997,578 1.428,579 2.883,580 3.78,581 4.735,582 4.964,583 4.964,584 2.885,585 4.054,586 4.615,587 3.681,588 1104.3,589 7.941,590 14008.2,592 1,595 226.477,596 0.795,597 4.619,598 0.125,599 0.004,600 0.054,601 0.021,602 0.035,603 0.016,604 0.007,605 0.011,606 0.009,607 0.005,608 0.286,609 0.33,610 0.88,612 123.246,613 -0.02,614 -0.096,615 0.057,616 -0.027,617 -0.074,618 0.016,619 0.013,620 -0.034,621 -0.09,622 -0.11,623 -0.042,624 -0.117,625 -0.077,626 -0.231,627 -0.072,628 -0.17,629 -0.012,630 -0.13,631 -0.123,632 -0.048,633 -0.096,634 -0.058,635 -0.091,636 -0.074,637 -0.002,638 0.197,639 0.075,640 0.185,641 0.038,642 0.15,643 -0.105,644 0.03,645 -0.075,646 0.013,647 -0.101,648 -0.021,649 0.102,650 -0.072,651 -0.12,652 -0.146,653 -0.032,654 -0.155,655 0.089,656 -0.138,657 0.113,658 -0.073,659 0.083,660 0.008,661 0.94,662 2.314,663 0.88,664 24.365,665 0.996,666 1.11,667 4.588,668 21.047,669 0.71,670 3.367,671 3.638,672 3.892,673 4.127,674 4.369,675 4.304,676 4.407,677 4.543,678 4.654,679 4.615,680 6.934,681 0.678,682 327.41,683 3.367,684 4.875,685 5.707,686 6.555,687 7.401,688 8.254,689 9.105,690 9.961,691 10.815,692 11.673,693 7.1,701 1,703 2,708 2,709 14,710 2,714 4,716 23,728 1,733 1,735 42,737 23,738 3,739 28,741 45,742 21,743 20,744 5,745 13,748 4,749 5,762 20,763 1,783 17,784 4,785 1,786 4,792 3,797 0.75,798 1,810 1,816 4,820 1,843 3,851 25,858 1,860 1,861 1,874 2.4,879 1,881 11.5,882 7.483,883 5.556,884 2.4,886 4.334,887 1.585,888 1.031,889 4.468,890 11.746,891 3.701,892 4.311,893 4.909,894 5.489,895 6.069,896 6.185,897 6.573,898 7.013,899 7.444,900 7.551,901 0.875,902 36,903 9.167,905 3.817,906 7.56,907 17.685,909 14.255,911 2.06,912 51.5,915 1,916 188.338,917 154.633,918 51.582,920 11,923 154.633,924 199.338,925 51.582,927 4.592,928 123.191,929 45.342,930 53.532,931 2.328,932 176.567,934 188.338,935 206.215,936 11,939 188.338,940 11,943 33.366,944 139.278,945 33.571,947 188.338,948 62.582,949 154.633,952 188.338,953 22.823,954 131.81,955 18.011,956 44.571,957 188.338,958 62.582,959 154.633,961 0.565,962 0.327,963 0.179,964 0.1,965 18,966 6,967 0.111,968 5,969 1,970 1.091,971 3.966,972 200.168,973 0.091,974 22,975 108.096,981 15.462,982 7.225,983 3.717,984 1.914,985 62.582,986 27.509,987 8.627,991 3.735,993 18.011,994 405.552,995 39.5,1007 41.818,1008 46.611,1009 0.265,1010 0.535,1011 0.701,1012 0.878,1013 0.921,1014 0.921,1015 4.881,1016 1.271,1017 5.638,1018 3.149,1019 4.317,1020 4.997,1021 1.378,1022 6.372,1023 4.248,1024 6.068,1025 1,1026 7.136,1027 2.83,1028 3.611,1029 4.559,1031 7.096,1032 3.51,1033 7.346,1034 1,1035 8.735,1036 2.275,1037 5.826,1038 7.21,1039 1.517,1040 10.191,1041 5.691,1042 8.664,1043 0.922,1044 10.397,1045 2.15,1046 5.994,1047 7.665,1049 11.821,1050 5.824,1051 10.014,1052 0.683,1053 12.103,1054 2.136,1055 7.601,1056 9.708,1057 1.732,1058 14.398,1059 7.406,1060 11.389,1061 0.11,1062 13.84,1063 1.582,1064 8.211,1065 10.634,1067 16.416,1068 7.98,1069 12.784,1070 -0.327,1071 15.601,1072 0.275,1073 9.536,1074 12.385,1075 1.968,1076 18.824,1077 9.281,1078 3.046,1079 -0.618,1080 17.38,1081 -0.786,1082 10.38,1083 13.572,1085 21.015,1086 10.088,1087 2.667,1088 10.241,1089 19.174,1090 -1.478,1091 11.572,1092 15.178,1093 2.214,1094 23.366,1095 11.257,1096 2.503,1097 7.525,1098 20.98,1099 4.433,1100 12.54,1101 16.508,1103 25.633,1104 12.187,1105 2.236,1106 7.034,1107 22.796,1108 3.643,1109 13.673,1110 18.045,1111 2.468,1112 27.966,1113 13.295,1114 1.912,1115 6.569,1116 24.621,1117 3.44,1118 14.705,1119 19.45,1121 30.266,1122 14.291,1123 1.618,1124 5.662,1125 26.454,1126 2.959,1127 15.815,1128 20.956,1129 2.727,1130 32.594,1131 15.373,1132 1.493,1133 3.769,1134 28.293,1135 2.649,1136 16.88,1137 22.4,1139 34.908,1140 16.403,1141 7948,1142 12604,1143 19.761,1144 29.801,1145 40.963,1146 41.271,1147 41.19,1148 40.888,1149 40.918,1150 57.559,1151 3.102,1152 110.389,1153 39.478,1154 5.328,1155 5.112,1156 6.317,1157 5.091,1158 5.046,1159 7.433,1160 2.302,1161 17.075,1162 4.951,1164 1.463,1165 1.474,1166 1.471,1167 1.46,1168 1.461,1169 2.056,1170 0.111,1171 3.942,1172 1.41,1173 4.067,1174 4.102,1175 4.031,1176 3.975,1177 5.083,1178 3.984,1179 3.929,1180 3.955,1181 3.865,1182 3.857,1183 4.872,1184 3.854,1185 3.848,1186 3.878,1187 3.782,1188 3.786,1189 4.722,1190 3.782,1191 3.412,1192 3.473,1193 3.335,1194 3.238,1195 4.481,1196 3.256,1197 3.237,1198 3.284,1199 3.131,1200 3.045,1201 4.329,1202 3.053,1203 3.05,1204 3.12,1205 2.95,1206 2.89,1207 4.032,1208 2.897,1209 2.854,1210 2.925,1211 2.718,1212 2.735,1213 3.674,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.674,1220 2.715,1221 0.161,1222 0.111,1223 0.233,1224 0.143,1225 0.109,1226 4.5,1227 0.158,1228 3.112,1229 0.041,1230 6.515,1231 0.366,1232 4.014,1233 0.105,1234 3.046,1235 4.433,1236 1.151,1237 10.241,1238 2.951,1239 2.012,1240 1.984,1241 2.087,1242 2.124,1243 1.178,1244 2.113,1245 1.914,1246 1.888,1247 2.038,1248 2.01,1249 1.138,1250 2.019,1251 1.85,1252 1.824,1253 1.962,1254 1.937,1255 1.044,1256 1.948,1257 1.355,1258 1.299,1259 1.503,1260 1.561,1261 0.609,1262 1.552,1263 1.189,1264 1.141,1265 1.443,1266 1.423,1267 0.471,1268 1.427,1269 1.015,1270 0.955,1271 1.217,1272 1.225,1273 0.244,1274 1.226,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.043,1289 5.323,1291 6.812,1293 8.392,1295 10.017,1303 0.56,1305 3.341,1306 5.814,1314 28.467,1315 59.997,1316 121.069,1317 158.762,1318 198.868,1319 208.477,1320 208.477,1321 26.248,1322 7.412,1323 47.04,1324 47.04,1325 24,1326 12.226,1327 4.585,1328 3.644,1329 36.243,1330 105,1331 99,1332 0.167,1333 174.814,1334 291.57,1335 418.306,1336 18464,1338 16.899,1339 0.676,1340 0.544,1341 16.899,1342 13.593,1343 12.382,1344 0.442,1345 0.29,1346 8.037,1347 12.056,1348 7.867,1349 6.556,1350 12.382,1351 8.119,1352 10.603,1353 0.287,1354 0.153,1355 10.603,1356 5.663,1357 9.034,1358 0.188,1359 0.081,1360 9.034,1361 3.908,1362 7.496,1363 0.123,1364 0.043,1365 7.496,1366 2.617,1367 6.357,1368 0.082,1369 0.023,1370 6.357,1371 1.781,1372 0.27,1373 76.518,1374 0.225,1375 24.876,1376 0.436,1377 130,1378 349.359,1379 139.149,1380 346.281,1381 487.12,1382 328,1383 150,1384 367.638,1385 159.483,1386 376.465,1387 545.61,1388 355,1389 5.1}
{0 CHEMBL1980178,1 1.659,2 10.852,3 2.633,4 6.934,5 106.115,6 8.019,7 0.533,8 3.984,9 4.115,10 3.613,11 3.519,12 5.065,13 3.504,14 4.536,15 4.716,16 4.012,17 3.929,18 5.627,19 3.884,20 4.827,21 5.064,22 3.989,23 4.048,24 5.773,25 3.965,26 4.825,27 5.078,28 4.018,29 4.013,30 5.776,31 3.923,32 4.784,33 5.026,34 3.949,35 3.967,36 5.794,37 3.879,38 4.726,39 4.963,40 4.028,41 3.927,42 5.793,43 3.835,44 4.61,45 4.833,46 3.84,47 3.841,48 5.667,49 3.727,50 4.475,51 4.702,52 3.721,53 3.73,54 5.518,55 3.611,56 0.055,57 0.766,58 9.1,59 3.901,60 7.037,61 5.279,62 0.286,63 1.221,64 18.588,65 7.024,66 28.617,67 9.783,68 0.402,69 1.449,70 29.369,71 8.972,72 48.462,73 12.832,74 0.44,75 1.407,76 30.285,77 9.219,78 43.173,79 13.537,80 0.443,81 1.33,82 29.41,83 8.495,84 53.894,85 12.03,86 0.512,87 1.212,88 30.398,89 8.622,90 52.137,91 12.013,92 0.48,93 1.05,94 30.578,95 7.773,96 51.121,97 10.463,98 0.346,99 0.93,100 25.127,101 7.388,102 41.043,103 10.324,104 12,105 42,106 0.281,107 0.642,108 0.799,109 0.872,110 0.886,111 0.901,112 3.34,113 0.947,114 -3.92,115 -3.87,116 -3.67,119 39.6,120 1,121 4,127 2,142 3,143 2,145 1,146 1,147 1,150 1,151 1,158 1,161 1,172 5,174 1,175 7,178 4,180 7,183 7,188 3,193 3,196 3,200 9,203 1,204 1,205 7,208 4,212 1,213 6,218 1,221 3,225 4,228 4,229 1,230 3,233 8,237 1,238 2,241 1,243 1,246 6,249 2,250 2,255 5,258 6,264 2,269 2,272 4,276 1110,277 18.256,278 18.256,279 18.256,280 18.256,281 18.256,282 16.207,283 17.927,284 10.879,285 18.728,286 14.892,287 14.892,288 14.892,289 14.892,290 14.892,291 11.801,292 31.666,293 5.245,294 15.724,295 3.926,296 1.791,297 0.865,298 0.432,299 0.349,300 0.266,301 4.039,303 1,304 1,305 1,306 1,307 639,308 3,311 55.521,312 241.685,315 105.493,319 1.646,320 25.677,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 58.333,332 293,333 4.6,334 3.533,335 6.714,336 4.141,337 3.167,338 4.535,339 1.907,340 10.928,341 3.088,342 4.152,343 3.205,344 5.876,345 3.748,346 2.802,347 3.816,348 0.4,349 8.417,350 2.671,351 3.777,352 2.979,353 5.663,354 3.593,355 2.651,356 2.964,357 0.149,358 7.848,359 2.471,360 3.585,361 2.782,362 5.379,363 3.278,364 2.309,365 2.847,367 6.923,368 2.237,369 3.453,370 2.424,371 5.055,372 3.064,373 2.127,374 2.637,376 6.08,377 1.994,378 3.239,379 2.289,380 4.701,381 2.851,382 1.929,383 2.387,385 5.157,386 1.752,387 3.046,388 1.924,389 4.502,390 2.626,391 1.679,392 2.319,394 4.365,395 1.515,396 2.931,397 1.547,398 4.349,399 2.513,400 1.546,401 2.119,403 4.219,404 1.488,405 2.825,406 1.458,407 4.004,408 2.374,409 1.433,410 1.838,412 3.443,413 1.322,414 2.524,415 1.228,416 3.564,417 2.175,418 1.18,419 1.535,421 2.606,422 1.172,423 2.195,424 1.035,425 3.487,426 1.988,427 1.027,428 1.19,430 2.555,431 0.981,432 1.973,433 0.605,434 3.094,435 1.428,436 0.488,437 0.721,439 1.178,440 0.457,441 1.177,442 0.495,443 2.953,444 0.94,450 1,451 0.223,452 2.557,453 0.821,454 -0.154,455 -0.161,457 -0.4,458 -0.149,459 0.948,460 0.146,461 2.521,462 0.407,463 -0.399,464 -0.504,466 -1.016,467 -0.249,468 12.948,469 0.48,470 0.677,471 0.025,472 34.5,473 1.278,474 16,475 0.593,476 18.5,477 0.685,478 23.707,479 0.878,480 29.052,481 0.605,482 23.56,483 0.873,484 6.387,485 0.237,486 6.693,487 0.248,488 0.12,490 0.348,496 0.793,497 1.422,498 0.642,499 0.999,500 0.592,501 0.908,502 0.548,503 1.172,504 0.688,505 1.047,506 0.447,507 1,508 1.131,509 1.081,510 0.885,511 0.901,512 1.05,513 0.94,514 0.751,515 1.002,516 0.722,517 0.903,518 0.668,519 0.895,520 1.269,521 0.993,522 0.965,523 0.869,524 1.305,525 0.924,526 1.042,527 0.918,528 1.065,529 0.915,530 1.141,531 0.911,532 1.47,533 0.878,534 1.679,535 1.108,536 1.375,537 1.103,538 0.795,539 1.053,540 1.286,541 1.172,542 0.664,543 1.088,544 6,545 0.115,546 2,547 2.132,548 1.143,549 0.736,550 0.634,551 0.335,552 0.222,553 0.163,554 9069,555 25213,556 2.12,557 43.8,558 2,559 5,560 1,561 1,562 3,563 3,564 4,565 2,567 1.701,568 2,569 3.419,570 0.981,571 1,572 1,577 79.619,578 1.659,579 3.794,580 4.72,581 5.153,582 5.236,583 5.319,584 2.894,585 4.533,586 4.727,587 3.573,588 1254.15,589 8.208,590 16079,592 1,594 1,595 268.078,596 1.352,597 4.694,598 0.2,599 0.006,600 0.048,601 0.053,602 0.029,603 0.02,604 0.018,605 0.012,606 0.008,607 0.007,608 0.401,609 0.33,610 1,611 0.881,612 133.873,613 -0.089,614 -0.181,615 0.021,616 -0.018,617 -0.029,618 0.023,619 0.231,620 -0.03,621 0.062,622 -0.083,623 0.203,624 -0.055,625 -0.184,626 -0.067,627 -0.034,628 0.041,629 -0.125,630 0.015,631 0.094,632 -0.02,633 0.144,634 0.047,635 0.058,636 0.084,637 -0.192,639 -0.025,640 0.071,641 -0.186,642 0.024,643 0.089,644 0.047,645 0.09,646 0.077,647 -0.02,648 0.062,649 -0.22,650 0.093,651 -0.259,652 -0.069,653 -0.219,654 -0.126,655 0.147,656 -0.115,657 -0.036,658 -0.106,659 0.157,660 -0.058,661 1.658,662 4.323,663 0.778,664 23.745,665 1.007,666 1.135,667 2.688,668 7.226,669 0.676,670 3.434,671 3.761,672 4.007,673 4.331,674 4.522,675 4.615,676 4.727,677 4.898,678 4.883,679 5.024,680 6.44,681 0.643,682 384.91,683 3.434,684 4.977,685 5.82,686 6.706,687 7.567,688 8.459,689 9.328,690 10.222,691 11.097,692 11.993,693 12.5,698 1,700 1,701 1,703 3,708 2,709 5,710 3,711 1,714 4,716 16,728 1,734 1,735 48,737 17,739 30,741 51,742 19,743 11,748 4,749 5,750 1,754 1,757 6,760 6,762 12,763 7,767 1,772 1,776 1,779 1,780 1,783 21,784 6,785 3,786 8,787 1,792 6,797 0.75,798 1,809 1,810 1,811 1,815 1,816 3,819 1,829 1,843 3,847 1,848 1,851 27,858 4,860 2,863 2,873 1,874 2.1,877 1,881 13.5,882 8.743,883 5.833,884 2.991,886 3.279,887 1.429,888 0.996,889 5.28,890 10.921,891 3.689,892 4.287,893 4.851,894 5.495,895 6.009,896 6.367,897 6.807,898 7.269,899 7.471,900 7.858,901 1,902 40,903 9.967,905 4.271,906 7.72,907 19.163,909 16.032,911 2.22,912 59.944,915 1,916 211.88,917 85.393,918 103.164,919 39.149,920 25.145,923 85.393,924 276.173,925 103.164,926 8.825,927 28.149,928 37.476,929 111.703,930 34.348,931 55.891,932 188.338,934 211.88,935 188.557,936 25.145,937 39.149,939 141.253,940 95.772,943 69.178,944 51.011,945 68.367,946 39.149,947 211.88,948 128.309,949 124.542,952 211.88,953 30.044,954 55.349,955 52.807,956 114.65,957 211.88,958 128.309,959 124.542,961 0.579,962 0.321,963 0.188,964 0.101,965 21,966 9,967 0.078,968 4,969 1,970 1.095,971 3.916,972 233.09,973 0.095,974 21,975 128.382,981 18.206,982 7.83,983 4.228,984 1.795,985 111.523,986 9.274,987 13.314,988 3.156,991 2.565,993 52.807,994 464.73,995 39,1000 11.323,1004 0.009,1007 48.331,1008 54.465,1009 0.297,1010 0.679,1011 0.845,1012 0.923,1013 0.938,1014 0.952,1015 4.927,1016 1.546,1017 5.802,1018 4.365,1019 4.443,1020 4.973,1021 1.997,1022 6.597,1023 4.342,1024 6.125,1025 1.433,1026 7.341,1027 4.219,1028 4.007,1029 4.783,1030 1.593,1031 7.424,1032 3.852,1033 7.424,1034 1.18,1035 8.977,1036 3.443,1037 6.014,1038 7.167,1039 2.907,1040 10.538,1041 5.831,1042 8.756,1043 1.027,1044 10.669,1045 2.606,1046 6.365,1047 7.831,1048 3.032,1049 12.225,1050 6.146,1051 10.121,1052 0.488,1053 12.401,1054 2.555,1055 7.858,1056 9.71,1057 4.038,1058 14.854,1059 7.61,1060 11.511,1062 14.161,1063 1.178,1064 8.6,1065 10.806,1066 4.409,1067 16.931,1068 8.328,1069 12.922,1070 -0.154,1071 15.944,1073 9.873,1074 12.468,1075 5.25,1076 19.392,1077 9.573,1078 3.167,1079 -0.399,1080 17.746,1081 -0.4,1082 10.813,1083 13.78,1084 5.75,1085 21.644,1086 10.492,1087 2.802,1088 10.928,1089 19.563,1090 -1.016,1091 11.992,1092 15.346,1093 6.501,1094 24.05,1095 11.646,1096 2.651,1097 8.417,1098 21.392,1099 4.535,1100 13.03,1101 16.761,1102 7.068,1103 26.378,1104 12.665,1105 2.309,1106 7.848,1107 23.233,1108 3.816,1109 14.174,1110 18.288,1111 7.771,1112 28.769,1113 13.786,1114 2.127,1115 6.923,1116 25.082,1117 2.964,1118 15.261,1119 19.75,1120 8.374,1121 31.131,1122 14.853,1123 1.929,1124 6.08,1125 26.94,1126 2.847,1127 16.394,1128 21.263,1129 9.051,1130 33.518,1131 15.965,1132 1.679,1133 5.157,1134 28.804,1135 2.637,1136 17.505,1137 22.748,1138 9.674,1139 35.895,1140 17.057,1141 8614,1142 14517,1143 20.285,1144 32.438,1145 45.398,1146 45.625,1147 45.88,1148 44.838,1149 44.684,1150 57.815,1151 4.912,1152 127.436,1153 42.298,1154 5.6,1155 5.533,1156 6.396,1157 5.216,1158 5.167,1159 7.535,1160 3.306,1161 18.11,1162 5.088,1163 11.888,1164 1.513,1165 1.521,1166 1.529,1167 1.495,1168 1.489,1169 1.927,1170 0.164,1171 4.248,1172 1.41,1173 4.125,1174 4.165,1175 4.113,1176 4.015,1177 7.43,1178 4.029,1179 3.914,1180 3.974,1181 3.919,1182 3.774,1183 5.139,1184 3.772,1185 3.758,1186 3.807,1187 3.765,1188 3.609,1189 5.006,1190 3.625,1191 3.535,1192 3.587,1193 3.444,1194 3.306,1195 4.515,1196 3.326,1197 3.367,1198 3.431,1199 3.344,1200 3.217,1201 4.368,1202 3.222,1203 3.197,1204 3.28,1205 3.22,1206 3.01,1207 4.284,1208 3.004,1209 3.1,1210 3.194,1211 2.981,1212 2.919,1213 3.99,1214 2.896,1215 2.875,1216 2.943,1217 2.878,1218 2.666,1219 3.884,1220 2.692,1221 0.153,1222 0.118,1223 0.224,1224 0.138,1225 0.106,1226 4.6,1227 0.151,1228 3.533,1229 0.064,1230 6.714,1231 0.364,1232 4.141,1233 0.103,1234 3.167,1235 4.535,1236 1.907,1237 10.928,1238 3.088,1239 1.912,1240 1.88,1241 2.085,1242 2.063,1243 1.476,1244 2.07,1245 1.873,1246 1.823,1247 1.967,1248 2.003,1249 1.082,1250 1.996,1251 1.722,1252 1.677,1253 1.791,1254 1.908,1255 0.851,1256 1.883,1257 1.468,1258 1.412,1259 1.721,1260 1.727,1261 0.835,1262 1.723,1263 1.382,1264 1.319,1265 1.541,1266 1.617,1267 0.785,1268 1.604,1269 1.185,1270 1.105,1271 1.48,1272 1.412,1273 0.683,1274 1.439,1275 1.125,1276 1.037,1277 1.447,1278 1.36,1279 0.496,1280 1.404,1281 0.998,1282 0.951,1283 1.161,1284 1.146,1285 0.274,1286 1.159,1287 4.111,1289 5.434,1290 2.398,1291 6.94,1292 4.727,1293 8.536,1294 6.843,1295 10.179,1297 1.555,1298 6.259,1303 3.909,1305 6.397,1308 0.388,1314 30.885,1315 79.619,1316 182.098,1317 226.568,1318 247.323,1319 251.323,1320 255.323,1321 41.938,1322 7.643,1323 95.59,1324 95.59,1325 23,1326 12.522,1327 4.17,1328 3.322,1329 40.208,1330 104,1331 103,1332 0.188,1333 193.127,1334 324,1335 462.99,1336 22677,1337 2.1,1338 18.803,1339 0.696,1340 0.583,1341 19.303,1342 15.754,1343 13.081,1344 0.436,1345 0.316,1346 9.006,1347 12.318,1348 8.79,1349 7.262,1350 13.369,1351 9.468,1352 12.152,1353 0.289,1354 0.174,1355 12.56,1356 7.294,1357 9.434,1358 0.175,1359 0.093,1360 9.67,1361 5.03,1362 8.678,1363 0.116,1364 0.052,1365 8.996,1366 3.893,1367 6.704,1368 0.074,1369 0.029,1370 6.936,1371 2.618,1372 0.295,1373 84.777,1374 0.222,1375 25.891,1376 0.516,1377 144,1378 407.873,1379 174.262,1380 428.211,1381 580.16,1382 400,1383 168,1384 411.513,1385 190.578,1386 424.748,1387 621.12,1388 401,1389 6.5}
{0 CHEMBL1980253,1 1.706,2 9.217,3 2.245,4 5.04,5 90.85,6 8.457,7 0.615,8 3.804,9 3.922,10 3.486,11 3.339,12 4.887,13 3.339,14 4.351,15 4.512,16 3.87,17 3.738,18 5.44,19 3.712,20 4.575,21 4.799,22 3.831,23 3.825,24 5.517,25 3.757,26 4.518,27 4.756,28 3.818,29 3.744,30 5.512,31 3.668,32 4.431,33 4.669,34 3.739,35 3.666,36 5.431,37 3.594,38 4.305,39 4.499,40 3.843,41 3.631,42 5.439,43 3.566,44 4.232,45 4.41,46 3.652,47 3.584,48 5.304,49 3.472,50 4.163,51 4.368,52 3.379,53 3.42,54 5.137,55 3.296,56 0.062,57 0.622,58 6.684,59 3.15,60 5.34,61 3.956,62 0.315,63 0.988,64 14.55,65 5.603,66 23.691,67 7.063,68 0.352,69 1.139,70 22.306,71 7.15,72 27.769,73 9.63,74 0.414,75 1.067,76 21.513,77 6.549,78 29.434,79 9.282,80 0.328,81 0.969,82 20.6,83 6.03,84 28.642,85 8.285,86 0.407,87 0.843,88 19.005,89 5.218,90 29.256,91 6.814,92 0.311,93 0.722,94 21.482,95 5.929,96 26.789,97 7.371,98 0.292,99 0.657,100 20.063,101 5.694,102 25.383,103 7.312,104 2,105 36,106 0.302,107 0.684,108 0.824,109 0.846,110 0.846,111 0.846,112 3.189,113 0.921,114 -3.65,115 -3.62,116 -3.45,119 41,121 2,125 2,127 1,142 3,143 2,145 1,146 1,147 1,150 1,151 1,161 1,172 3,174 1,175 8,178 3,180 4,183 5,188 3,193 1,196 2,200 7,203 2,205 5,208 2,212 1,213 3,218 1,221 2,224 2,225 1,228 1,229 1,230 2,233 7,237 1,238 2,241 1,243 1,246 3,250 3,255 2,258 2,264 3,272 2,276 697,277 15.947,278 15.947,279 15.947,280 15.947,281 15.947,282 14.104,283 15.401,284 9.606,285 16.55,286 12.909,287 12.909,288 12.909,289 12.909,290 12.909,291 10.129,292 26.305,293 4.634,294 13.918,295 3.58,296 1.427,297 0.635,298 0.513,299 0.513,300 0.513,301 3.892,303 1,304 1,305 1,306 1,307 473,308 2.121,311 44.327,312 194.788,315 84.619,319 1.444,320 19.411,321 1,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 49.833,332 212,333 4.6,334 3.205,335 6.714,336 4.141,337 3.167,338 4.535,339 0.86,340 10.928,341 3.088,342 4.151,343 2.977,344 5.871,345 3.686,346 2.766,347 3.816,348 0.4,349 8.373,350 2.548,351 3.632,352 2.754,353 5.528,354 3.439,355 2.487,356 2.958,358 7.367,359 2.362,360 3.467,361 2.39,362 5.173,363 3.064,364 2.144,365 2.652,367 6.345,368 1.96,369 3.182,370 2.264,371 4.718,372 2.761,373 1.902,374 2.321,376 5.198,377 1.573,378 3.046,379 1.885,380 4.502,381 2.513,382 1.547,383 2.314,385 4.234,386 1.489,387 2.917,388 1.547,389 4.005,390 2.38,391 1.455,392 2.108,394 3.447,395 1.322,396 2.527,397 1.454,398 3.587,399 2.256,400 1.38,401 1.54,403 3.017,404 1.192,405 2.427,406 1.2,407 3.563,408 1.988,409 1.027,410 1.425,412 2.557,413 0.981,414 2,415 1.036,416 3.247,417 1.969,418 1,419 1,421 2.136,422 0.963,423 1.973,424 0.496,425 3.094,426 1.428,427 0.488,428 0.721,430 1.178,431 0.457,432 1.175,433 0.249,434 2.869,435 0.919,441 0.948,442 0.189,443 2.554,444 0.407,445 -0.398,446 -0.503,448 -1.011,449 -0.248,450 0.733,451 -0.517,452 2.24,453 0.328,454 -0.595,455 -0.75,457 -1.573,458 -0.555,459 0.654,460 -0.522,461 2,462 0.141,463 -0.807,464 -0.961,466 -1.924,467 -0.725,468 11.048,469 0.48,470 0.465,471 0.02,472 30.75,473 1.337,474 14.5,475 0.63,476 16.25,477 0.707,478 17.36,479 0.755,480 24.352,481 0.624,482 19.601,483 0.852,484 5.859,485 0.255,486 5.433,487 0.236,488 0.065,490 0.317,496 0.872,497 1.416,498 0.592,499 0.991,500 0.736,501 0.869,502 0.993,503 1.052,504 0.722,505 0.942,506 0.757,507 0.931,508 1.102,509 1.112,510 0.843,511 0.888,512 0.976,513 0.91,514 0.722,515 1.023,516 0.748,517 0.887,518 0.737,519 0.907,520 1.039,521 0.992,522 0.909,523 0.798,524 1.133,525 0.829,526 1.07,527 0.914,528 1.291,529 0.919,530 1.305,531 0.94,532 1.253,533 0.962,534 1.952,535 1.416,536 1.506,537 1.315,538 1.057,539 1.063,540 1.639,541 1.445,542 1.216,543 1.309,544 4,545 0.021,546 1.778,547 1.569,548 0.912,549 0.451,550 0.554,551 0.219,552 0.14,553 0.044,554 5897,555 16498,556 2.196,557 41,559 8,560 1,561 1,562 2,565 4,567 1.659,568 2.123,569 3.2,570 0.364,571 1,572 1,574 1,577 66.521,578 1.706,579 3.859,580 4.651,581 4.773,582 4.773,583 4.773,584 2.666,585 4.263,586 4.496,587 3.317,588 839.316,589 7.75,590 9385.84,591 1,592 1,594 1,595 206.131,596 1.121,597 4.483,598 0.154,599 0.002,600 0.049,601 0.046,602 0.029,603 0.016,604 0.019,605 0.01,606 0.008,607 0.003,608 0.336,609 0.5,610 1,611 0.393,612 106.676,613 -0.093,614 -0.227,615 0.026,616 -0.062,617 -0.034,618 0.006,619 0.035,620 0.048,621 0.007,622 -0.017,623 0.132,624 -0.04,625 -0.168,626 -0.117,627 0.001,628 0.055,629 -0.083,630 0.048,631 0.115,632 -0.018,633 0.118,634 0.046,635 0.128,636 0.055,637 -0.121,638 0.01,639 0.064,640 0.145,641 -0.116,642 0.13,643 0.061,644 0.145,645 -0.032,646 0.057,647 -0.042,648 -0.022,649 -0.119,650 -0.001,651 -0.366,652 -0.308,653 -0.196,654 -0.315,655 -0.012,656 -0.173,657 -0.272,658 -0.353,659 -0.085,660 -0.271,661 1.247,662 2.083,663 0.913,664 17.361,665 1.012,666 1.132,667 2.421,668 5.863,669 0.69,670 3.296,671 3.611,672 3.892,673 4.205,674 4.407,675 4.466,676 4.595,677 4.745,678 4.736,679 4.812,680 5.481,681 0.662,682 329.82,683 3.296,684 4.828,685 5.68,686 6.561,687 7.43,688 8.318,689 9.195,690 10.088,691 10.969,692 11.864,693 12.8,698 1,701 1,703 3,708 2,709 5,710 3,711 1,714 4,716 16,728 1,734 1,735 39,737 16,739 26,741 42,742 16,743 11,748 4,749 5,750 1,757 3,760 3,762 11,763 5,779 1,780 1,783 16,784 5,785 2,786 7,787 1,792 5,797 0.75,798 1,809 1,810 1,811 1,815 1,816 3,819 1,842 1,843 3,848 1,851 23,858 4,860 1,861 1,863 1,873 1,874 2.6,878 1,881 10.833,882 6.91,883 5,884 2.387,886 3.215,887 1.441,888 1.019,889 4.06,890 10.498,891 3.555,892 4.171,893 4.795,894 5.449,895 5.979,896 6.336,897 6.784,898 7.243,899 7.441,900 7.812,901 1,902 34,903 8.467,905 3.625,906 7.628,907 16.34,909 13.612,911 2.128,912 48.944,916 164.795,917 75.979,918 85.153,919 39.149,920 11,923 75.979,924 214.944,925 85.153,927 14.254,928 37.476,929 92.854,930 34.348,931 55.891,932 141.253,934 164.795,935 161.132,936 11,937 39.149,939 117.711,940 47.084,941 11,943 46.458,944 46.306,945 68.367,946 39.149,947 164.795,948 96.153,949 115.128,952 164.795,953 29.455,954 46.524,955 34.796,956 100.505,957 164.795,958 96.153,959 115.128,961 0.575,962 0.332,963 0.194,964 0.105,965 19,966 7,967 0.071,968 3,969 1,970 1.095,971 3.617,972 189.721,973 0.095,974 21,975 100.042,981 14.729,982 6.34,983 3.119,984 1.843,985 79.367,986 9.341,987 13.224,988 3.155,991 2.715,993 34.796,994 376.076,995 34,1007 39.462,1008 44.136,1009 0.323,1010 0.73,1011 0.88,1012 0.903,1013 0.903,1014 0.903,1015 4.779,1016 1.38,1017 5.645,1018 3.447,1019 4.29,1020 4.856,1021 1.029,1022 6.441,1023 4.155,1024 5.971,1025 1.027,1026 7.182,1027 3.017,1028 3.761,1029 4.62,1031 7.273,1032 3.561,1033 7.27,1034 1,1035 8.819,1036 2.557,1037 5.855,1038 7.09,1039 0.763,1040 10.411,1041 5.627,1042 8.608,1043 0.488,1044 10.518,1045 2.136,1046 6.176,1047 7.756,1049 12.135,1050 5.923,1051 9.984,1053 12.26,1054 1.178,1055 7.711,1056 9.669,1057 0.597,1058 14.771,1059 7.421,1060 11.387,1061 -0.398,1062 14.033,1064 8.45,1065 10.775,1067 16.875,1068 8.151,1069 12.812,1070 -0.595,1071 15.829,1072 -1.011,1073 9.745,1074 12.449,1075 0.47,1076 19.343,1077 9.41,1078 3.167,1079 -0.807,1080 17.643,1081 -1.573,1082 10.691,1083 13.767,1085 21.61,1086 10.349,1087 2.766,1088 10.928,1089 19.472,1090 -1.924,1091 11.884,1092 15.338,1093 0.367,1094 24.023,1095 11.513,1096 2.487,1097 8.373,1098 21.313,1099 4.535,1100 12.93,1101 16.755,1103 26.359,1104 12.549,1105 2.144,1106 7.367,1107 23.163,1108 3.816,1109 14.084,1110 18.285,1111 0.283,1112 28.753,1113 13.679,1114 1.902,1115 6.345,1116 25.022,1117 2.958,1118 15.179,1119 19.748,1121 31.119,1122 14.76,1123 1.547,1124 5.198,1125 26.888,1126 2.652,1127 16.32,1128 21.261,1129 0.217,1130 33.509,1131 15.88,1132 1.455,1133 4.234,1134 28.759,1135 2.321,1136 17.439,1137 22.747,1139 35.888,1140 16.983,1141 5496,1142 9324,1143 18.087,1144 26.909,1145 39.075,1146 39.21,1147 39.279,1148 38.941,1149 38.73,1150 50.777,1151 2.52,1152 109.559,1153 35.874,1154 5.6,1155 5.205,1156 6.516,1157 5.216,1158 5.167,1159 7.535,1160 1.72,1161 18.109,1162 5.032,1163 5.786,1164 1.503,1165 1.508,1166 1.511,1167 1.498,1168 1.49,1169 1.953,1170 0.097,1171 4.214,1172 1.38,1173 4.124,1174 4.164,1175 4.112,1176 4.014,1177 5.139,1178 4.028,1179 3.863,1180 3.918,1181 3.917,1182 3.69,1183 5.006,1184 3.703,1185 3.72,1186 3.763,1187 3.679,1188 3.573,1189 4.622,1190 3.579,1191 3.365,1192 3.429,1193 3.348,1194 3.215,1195 4.49,1196 3.22,1197 3.111,1198 3.206,1199 3.213,1200 2.941,1201 4.332,1202 2.91,1203 3.104,1204 3.171,1205 2.932,1206 2.833,1207 4.003,1208 2.86,1209 2.871,1210 2.935,1211 2.866,1212 2.666,1213 3.839,1214 2.69,1215 2.71,1216 2.774,1217 2.704,1218 2.476,1219 3.621,1220 2.488,1221 0.177,1222 0.123,1223 0.258,1224 0.159,1225 0.122,1226 4.6,1227 0.174,1228 3.205,1229 0.033,1230 6.714,1231 0.42,1232 4.141,1233 0.119,1234 3.167,1235 4.535,1236 0.86,1237 10.928,1238 3.088,1239 1.905,1240 1.877,1241 2.007,1242 2.035,1243 1.345,1244 2.025,1245 1.8,1246 1.749,1247 1.963,1248 1.986,1249 1.081,1250 1.981,1251 1.699,1252 1.655,1253 1.783,1254 1.883,1255 0.825,1256 1.865,1257 1.377,1258 1.315,1259 1.513,1260 1.615,1261 0.812,1262 1.597,1263 1.153,1264 1.064,1265 1.513,1266 1.376,1267 0.521,1268 1.429,1269 1.035,1270 0.974,1271 1.284,1272 1.322,1273 0.445,1274 1.315,1275 0.966,1276 0.911,1277 1.151,1278 1.134,1279 0.272,1280 1.146,1281 0.642,1282 0.571,1283 0.942,1284 0.924,1285 0.001,1286 0.941,1287 3.97,1289 5.283,1290 2.398,1291 6.795,1292 4.727,1293 8.396,1294 6.843,1295 10.043,1298 6.194,1303 3.419,1305 3.36,1306 5.374,1308 0.319,1314 25.81,1315 66.521,1316 150.482,1317 181.376,1318 186.131,1319 186.131,1320 186.131,1321 27.291,1322 7.283,1323 75.72,1324 75.72,1325 23,1326 12.392,1327 4.087,1328 3.17,1329 31.789,1330 75,1331 75,1332 0.208,1333 160.483,1334 263.74,1335 383.339,1336 14057,1337 2.6,1338 15.648,1339 0.68,1340 0.573,1341 16.148,1342 13.176,1343 11.293,1344 0.434,1345 0.307,1346 7.516,1347 10.53,1348 7.386,1349 6.047,1350 11.582,1351 7.986,1352 10.128,1353 0.281,1354 0.164,1355 10.536,1356 5.92,1357 8.462,1358 0.176,1359 0.087,1360 8.698,1361 4.17,1362 7.603,1363 0.115,1364 0.045,1365 7.921,1366 2.996,1367 6.017,1368 0.074,1369 0.024,1370 6.249,1371 1.961,1372 0.32,1373 74.065,1374 0.235,1375 22.408,1376 0.586,1377 124,1378 363.54,1379 152.873,1380 379.968,1381 518.82,1382 358,1383 146,1384 365.541,1385 168.241,1386 377.689,1387 557.59,1388 357,1389 6.9}
{0 CHEMBL1980297,1 1.774,2 15.143,3 3.379,4 11.42,5 135.998,6 8.725,7 0.692,8 4.157,9 4.268,10 3.881,11 3.747,12 5.389,13 3.733,14 4.626,15 4.762,16 4.249,17 4.142,18 5.871,19 4.106,20 4.856,21 5.037,22 4.289,23 4.248,24 6.029,25 4.189,26 4.893,27 5.076,28 4.378,29 4.271,30 6.122,31 4.197,32 4.911,33 5.104,34 4.257,35 4.213,36 6.108,37 4.132,38 4.765,39 4.954,40 4.115,41 4.09,42 6.048,43 4.022,44 4.725,45 4.929,46 4.004,47 4.059,48 5.841,49 3.972,50 4.745,51 4.955,52 3.996,53 4.027,54 5.883,55 3.93,56 0.156,57 0.945,58 9.078,59 4.748,60 17.769,61 5.133,62 0.352,63 1.484,64 17.233,65 8.125,66 33.166,67 9.048,68 0.528,69 1.788,70 24.734,71 10.174,72 59.05,73 11.445,74 0.465,75 1.858,76 28.036,77 11.25,78 46.078,79 13.265,80 0.608,81 1.812,82 35.088,83 11.977,84 71.728,85 12.989,86 0.562,87 1.554,88 24.748,89 9.637,90 83.173,91 11.373,92 0.41,93 1.501,94 24.323,95 9.383,96 48.473,97 11.316,98 0.418,99 1.481,100 27.203,101 10.472,102 41.811,103 12.65,104 19,105 55,106 0.285,107 0.655,108 0.805,109 0.874,110 0.888,111 0.894,112 3.588,113 0.895,114 -4.25,115 -4.19,116 -3.96,119 44.6,125 2,142 8,143 5,144 3,145 2,147 1,151 2,152 1,159 1,163 1,164 1,165 1,166 1,172 9,175 4,177 1,178 3,179 1,180 5,183 14,185 1,188 4,191 1,193 4,196 11,198 1,200 6,203 1,205 9,208 6,210 3,212 2,213 9,218 8,221 5,223 3,225 6,230 6,233 8,235 2,238 3,240 2,241 2,243 2,246 8,250 5,253 2,254 1,255 4,257 1,258 6,264 5,269 3,272 5,276 2401,277 23.903,278 23.903,279 23.903,280 23.903,281 23.903,282 20.586,283 20.566,284 14.111,285 24.435,286 19.251,287 19.251,288 19.251,289 19.251,290 19.251,291 14.221,292 25.279,293 6.654,294 20.141,295 4.033,296 1.732,297 0.799,298 0.371,299 0.286,300 0.25,301 4.294,306 1,307 1159,308 3.536,311 173.227,312 341.994,315 153.48,319 2.498,320 38.116,323 1,324 0.83,325 1,326 0.6,328 0.83,329 0.5,330 0.68,331 76.5,332 530,333 4.748,334 3.563,335 7.013,336 4.283,337 3.316,338 4.726,339 1.656,340 11.98,341 3.207,342 4.25,343 3.328,344 6.353,345 3.865,346 2.881,347 3.889,348 0.247,349 9.667,350 2.835,351 4.089,352 2.947,353 5.785,354 3.699,355 2.736,356 3.67,358 7.932,359 2.627,360 4.015,361 2.902,362 5.617,363 3.577,364 2.61,365 3.629,367 7.733,368 2.52,369 3.769,370 2.655,371 5.416,372 3.387,373 2.426,374 3.168,376 7.139,377 2.323,378 3.59,379 2.437,380 5.359,381 3.194,382 2.235,383 2.937,385 6.765,386 2.138,387 3.465,388 2.309,389 4.942,390 3.042,391 2.09,392 2.773,394 5.71,395 1.983,396 3.267,397 2.261,398 4.899,399 2.783,400 1.873,401 2.549,403 5.353,404 1.696,405 3.138,406 1.928,407 4.55,408 2.686,409 1.717,410 2.327,412 4.675,413 1.63,414 2.863,415 1.609,416 4.424,417 2.426,418 1.459,419 1.999,421 4.095,422 1.406,423 2.658,424 1.321,425 4.017,426 2.172,427 1.183,428 1.73,430 2.946,431 1.166,432 2.557,433 1.275,434 3.604,435 2.036,436 1.086,437 1.582,439 2.586,440 1.021,441 2.5,442 1.091,443 3.479,444 2,445 1,446 1.5,448 2.275,449 1,450 2.303,451 1,452 3.414,453 1.915,454 1,455 1.235,457 2.154,458 0.905,459 2.156,460 0.849,461 3.284,462 1.64,463 0.774,464 1.02,466 1.74,467 0.657,468 16.686,469 0.477,470 0.832,471 0.024,472 49.75,473 1.421,474 27,475 0.771,476 22.75,477 0.65,478 27.025,479 0.772,480 36.114,481 0.645,482 40.28,483 1.151,484 9.932,485 0.284,486 7.08,487 0.202,488 0.081,490 0.354,494 1,496 0.779,497 0.964,498 0.706,499 0.795,500 0.711,501 0.762,502 0.706,503 0.98,504 0.857,505 0.922,506 0.618,507 0.894,508 1.047,509 0.947,510 0.944,511 0.832,512 0.977,513 0.914,514 0.707,515 1.071,516 0.95,517 1.109,518 0.671,519 1.028,520 1.085,521 0.987,522 1.381,523 1.22,524 1.083,525 1.05,526 0.755,527 0.976,528 0.989,529 1.029,530 0.748,531 1.041,532 0.748,533 0.906,534 1.056,535 1.057,536 0.716,537 1.088,538 0.643,539 0.985,540 1.05,541 1.204,542 0.609,543 1.139,544 7,545 0.137,546 3.556,547 2.5,548 1.989,549 1.359,550 0.737,551 0.508,552 0.364,553 0.348,554 20295,555 64015,556 2.123,557 37.5,559 12,560 2,561 2,562 5,567 1.763,568 2,569 3.847,570 2.304,577 99.367,578 1.774,579 4.075,580 5.008,581 5.437,582 5.522,583 5.557,584 3.4,585 4.958,586 5.094,587 4.038,588 2402.86,589 8.927,590 38679.2,595 325.212,596 1.366,597 5.067,598 0.179,599 0.005,600 0.065,601 0.045,602 0.036,603 0.027,604 0.016,605 0.012,606 0.009,607 0.01,608 0.405,610 0.75,611 0.797,612 192.079,613 -0.092,614 0.053,615 0.023,616 0.114,617 -0.116,618 0.084,619 0.033,620 0.024,621 -0.018,622 0.036,623 0.027,624 -0.002,625 -0.155,626 0.063,627 -0.05,628 0.117,629 -0.13,630 0.024,631 0.059,632 -0.111,633 0.084,634 -0.065,635 0.063,636 -0.043,637 -0.137,638 -0.029,639 -0.165,640 -0.09,641 -0.108,642 -0.053,643 0.073,644 -0.068,645 -0.05,646 -0.062,647 0.111,648 -0.069,649 -0.05,650 0.01,651 -0.112,652 -0.082,653 -0.07,654 -0.095,655 0.091,656 -0.112,657 -0.018,658 -0.171,659 0.065,660 -0.098,661 2.135,662 5.319,663 0.743,664 46.766,665 1.016,666 1.125,667 3.022,668 9.135,669 0.707,670 3.689,671 4.025,672 4.317,673 4.635,674 4.836,675 4.977,676 5.13,677 5.318,678 5.425,679 5.529,680 8.599,681 0.685,682 488.59,683 3.689,684 5.242,685 6.103,686 6.995,687 7.874,688 8.774,689 9.664,690 10.569,691 11.466,692 12.375,693 10.7,697 1,700 2,701 1,703 2,708 2,709 12,710 2,713 1,714 8,715 1,716 27,727 1,734 1,735 56,737 28,738 2,739 39,741 60,742 25,743 22,744 4,745 8,748 5,749 6,753 1,754 1,762 23,763 2,767 1,772 1,776 1,781 1,783 21,784 8,785 5,786 10,787 1,792 6,797 0.8,798 2,799 1,807 1,809 1,815 2,816 3,819 1,841 1,843 4,845 1,849 1,851 35,852 1,857 1,858 2,860 2,869 1,873 1,874 3.6,875 1,877 1,881 17.5,882 9.86,883 7.667,884 3.067,886 5.074,887 1.593,888 1.023,889 6.662,890 13.63,891 3.998,892 4.649,893 5.283,894 5.951,895 6.475,896 6.884,897 7.37,898 7.886,899 8.268,900 8.673,901 1,902 55,903 12.903,905 5.602,906 7.933,907 24.144,909 19.93,911 2.433,912 85.167,916 188.338,917 181.284,918 104.144,920 67.828,921 14.96,922 31.278,923 150.006,924 256.166,925 119.104,927 38.127,928 168.087,929 82.136,930 49.821,931 45.852,932 172.531,934 188.338,935 254.15,936 82.788,937 31.278,939 203.298,940 25.145,941 42.683,943 57.999,944 162.703,945 33.449,946 31.278,947 203.298,948 171.972,949 181.284,952 188.338,953 70.683,954 112.378,955 36.022,956 149.134,957 188.338,958 186.932,959 181.284,961 0.58,962 0.338,963 0.193,964 0.102,965 27,966 12,967 0.1,968 6,969 1,970 1.077,971 4.642,972 334.013,973 0.077,974 26,975 175.525,977 1,981 23.27,982 10.02,983 4.992,984 1.847,985 185.156,986 20.443,987 8.691,990 1.567,991 4.639,992 1.683,993 111.602,994 556.554,995 53.5,1000 12.253,1004 -0.468,1007 56.923,1008 62.99,1009 0.306,1010 0.702,1011 0.862,1012 0.936,1013 0.951,1014 0.957,1015 5.23,1016 1.873,1017 6.089,1018 5.71,1019 4.71,1020 5.338,1021 1.758,1022 6.915,1023 4.625,1024 6.455,1025 1.717,1026 7.651,1027 5.353,1028 4.29,1029 5.165,1030 1.195,1031 7.835,1032 4.186,1033 7.773,1034 1.459,1035 9.312,1036 4.675,1037 6.312,1038 7.6,1039 2.415,1040 10.969,1041 6.164,1042 9.128,1043 1.183,1044 11.034,1045 4.095,1046 6.723,1047 8.287,1048 2.324,1049 12.774,1050 6.553,1051 10.516,1052 1.086,1053 12.797,1054 2.946,1055 8.203,1056 10.172,1057 3.244,1058 15.44,1059 7.999,1060 11.928,1061 1,1062 14.59,1063 2.586,1064 9.004,1065 11.282,1066 3.407,1067 17.63,1068 8.775,1069 13.36,1070 1,1071 16.408,1072 2.275,1073 10.275,1074 12.946,1075 4.156,1076 20.154,1077 10.016,1078 3.316,1079 0.774,1080 18.245,1081 2.154,1082 11.267,1083 14.273,1084 4.464,1085 22.51,1086 10.978,1087 2.881,1088 11.98,1089 20.098,1090 1.74,1091 12.461,1092 15.85,1093 5.111,1094 24.993,1095 12.143,1096 2.736,1097 9.667,1098 21.964,1099 4.726,1100 13.546,1101 17.287,1102 5.504,1103 27.418,1104 13.196,1105 2.61,1106 7.932,1107 23.843,1108 3.889,1109 14.717,1110 18.834,1111 6.091,1112 29.893,1113 14.337,1114 2.426,1115 7.733,1116 25.731,1117 3.67,1118 15.85,1119 20.326,1120 6.531,1121 32.347,1122 15.436,1123 2.235,1124 7.139,1125 27.627,1126 3.629,1127 17.019,1128 21.866,1129 7.083,1130 34.822,1131 16.573,1132 2.09,1133 6.765,1134 29.531,1135 3.168,1136 18.176,1137 23.386,1138 7.551,1139 37.29,1140 17.696,1141 18999,1142 33887,1143 26.353,1144 39.62,1145 58.945,1146 59.551,1147 60.467,1148 58.253,1149 58.251,1150 79.555,1151 3.806,1152 168.895,1153 55.563,1154 5.614,1155 5.563,1156 6.784,1157 5.396,1158 5.316,1159 7.726,1160 2.912,1161 19.548,1162 5.207,1163 16.5,1164 1.511,1165 1.527,1166 1.55,1167 1.494,1168 1.494,1169 2.04,1170 0.098,1171 4.331,1172 1.425,1173 4.141,1174 4.158,1175 4.346,1176 4.136,1177 8.201,1178 4.099,1179 3.931,1180 3.973,1181 3.884,1182 3.833,1183 7.431,1184 3.836,1185 3.903,1186 3.942,1187 3.873,1188 3.802,1189 6.456,1190 3.805,1191 3.801,1192 3.841,1193 3.794,1194 3.671,1195 5.19,1196 3.676,1197 3.441,1198 3.485,1199 3.446,1200 3.251,1201 4.93,1202 3.254,1203 3.379,1204 3.431,1205 3.377,1206 3.134,1207 4.773,1208 3.168,1209 3.254,1210 3.306,1211 3.228,1212 3.092,1213 4.661,1214 3.082,1215 3.01,1216 3.096,1217 2.971,1218 2.844,1219 4.561,1220 2.825,1221 0.122,1222 0.091,1223 0.18,1224 0.11,1225 0.085,1226 4.748,1227 0.121,1228 3.563,1229 0.042,1230 7.013,1231 0.307,1232 4.283,1233 0.082,1234 3.316,1235 4.726,1236 1.656,1237 11.98,1238 3.207,1239 1.966,1240 1.947,1241 2.037,1242 2.047,1243 1.191,1244 2.044,1245 1.88,1246 1.853,1247 1.979,1248 1.993,1249 1.078,1250 1.988,1251 1.844,1252 1.825,1253 1.895,1254 1.931,1255 1.046,1256 1.934,1257 1.59,1258 1.522,1259 1.8,1260 1.864,1261 1.017,1262 1.845,1263 1.452,1264 1.426,1265 1.54,1266 1.609,1267 0.689,1268 1.588,1269 1.286,1270 1.252,1271 1.401,1272 1.522,1273 0.507,1274 1.501,1275 1.197,1276 1.169,1277 1.279,1278 1.387,1279 0.308,1280 1.353,1281 1.017,1282 0.933,1283 1.249,1284 1.307,1285 0.237,1286 1.347,1287 4.369,1289 5.7,1290 3.045,1291 7.217,1292 5.352,1293 8.825,1294 7.434,1295 10.484,1299 13.319,1301 6.268,1302 9.153,1303 0.429,1305 5.343,1314 38.343,1315 99.367,1316 228.192,1317 280.457,1318 304.457,1319 309.212,1320 311.212,1321 63.885,1322 8.556,1323 118.09,1324 146.33,1325 28,1326 12.894,1327 4.858,1328 3.954,1329 52.523,1330 179,1331 187,1332 0.141,1333 236.643,1334 398.6,1335 569.169,1336 73385,1337 1.8,1338 24.363,1339 0.696,1340 0.549,1341 23.847,1342 19.22,1343 17.012,1344 0.436,1345 0.298,1346 10.666,1347 15.884,1348 10.412,1349 8.586,1350 17.073,1351 11.629,1352 15.424,1353 0.28,1354 0.158,1355 15.315,1356 8.673,1357 12.882,1358 0.174,1359 0.087,1360 13.266,1361 6.447,1362 11.461,1363 0.112,1364 0.048,1365 12.079,1366 4.925,1367 8.823,1368 0.071,1369 0.026,1370 9.56,1371 3.24,1372 0.228,1373 111.392,1374 0.195,1375 32.716,1376 0.371,1377 188,1378 611.77,1379 228.646,1380 593.393,1381 805.68,1382 554,1383 223,1384 577.164,1385 261.439,1386 594.918,1387 869.24,1388 560,1389 7.8}
{0 CHEMBL1980391,1 1.789,2 7.72,3 4.496,4 20.214,5 94.81,6 9.149,7 0.607,8 3.81,9 3.915,10 3.549,11 3.389,12 5.029,13 3.396,14 4.297,15 4.436,16 3.953,17 3.77,18 5.497,19 3.773,20 4.511,21 4.657,22 4.147,23 3.932,24 5.814,25 3.927,26 4.577,27 4.746,28 4.082,29 3.947,30 5.787,31 3.918,32 4.591,33 4.77,34 4.086,35 3.968,36 5.82,37 3.933,38 4.613,39 4.784,40 4.158,41 3.967,42 5.842,43 3.927,44 4.578,45 4.765,46 4.037,47 3.794,48 5.907,49 3.738,50 4.435,51 4.692,52 3.323,53 3.39,54 5.608,55 3.267,56 0.118,57 0.654,58 5.182,59 3.167,60 7.026,61 3.455,62 0.267,63 1.024,64 11.371,65 5.46,66 19.346,67 6.073,68 0.513,69 1.292,70 15.259,71 6.491,72 39.161,73 7.036,74 0.479,75 1.331,76 18.904,77 7.008,78 38.785,79 7.774,80 0.54,81 1.4,82 19.287,83 7.641,84 52.42,85 8.694,86 0.477,87 1.342,88 19.832,89 7.981,90 37.026,91 9.155,92 0.644,93 1.239,94 23.196,95 7.92,96 55.284,97 9.02,98 0.668,99 1.023,100 25.853,101 7.233,102 62.868,103 8.511,104 18,105 41,106 0.315,107 0.702,108 0.808,109 0.878,110 0.887,111 0.887,112 3.269,113 0.857,114 -4.31,115 -4.25,116 -4.01,119 46.2,120 1,124 1,142 6,143 2,144 5,146 1,153 1,157 1,168 1,172 5,175 4,179 1,180 2,183 8,187 1,188 4,191 3,193 2,196 7,200 5,203 1,205 4,208 6,213 4,218 3,221 7,224 1,225 3,228 1,230 4,233 7,237 1,238 4,243 4,246 4,250 5,255 1,258 1,264 1,276 814,277 16.955,278 16.955,279 16.955,280 16.955,281 16.955,282 14.619,283 22.242,284 9.695,285 17.468,286 13.737,287 13.737,288 13.737,289 13.737,290 13.737,291 10.191,292 35.694,293 4.502,294 14.558,295 3.496,296 1.296,297 0.693,298 0.295,299 0.244,300 0.244,301 3.964,302 1,305 1,306 1,307 419,308 2.449,311 42.907,312 104.43,313 51.68,316 79.331,317 84.087,319 1.034,320 28.595,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 54.833,332 193,333 4.619,334 3.476,335 6.833,336 4.227,337 3.26,338 4.309,339 0.86,340 11.359,341 3.149,342 4.315,343 3.219,344 6.434,345 3.899,346 2.938,347 3.993,348 0.6,349 9.883,350 2.82,351 4.213,352 3.122,353 6.189,354 3.778,355 2.835,356 3.84,357 0.4,358 9.12,359 2.659,360 3.758,361 2.742,362 5.821,363 3.345,364 2.409,365 3.167,367 7.77,368 2.23,369 3.415,370 2.454,371 5.211,372 2.99,373 2.059,374 2.668,376 6.201,377 1.905,378 3.049,379 2.151,380 4.824,381 2.63,382 1.68,383 2.223,385 4.916,386 1.59,387 2.933,388 1.947,389 4.454,390 2.487,391 1.551,392 2.09,394 4.289,395 1.447,396 2.861,397 1.66,398 4.093,399 2.352,400 1.414,401 2.013,403 3.419,404 1.27,405 2.709,406 1.381,407 3.83,408 2.237,409 1.28,410 1.778,412 2.991,413 1.202,414 2.389,415 1.225,416 3.596,417 1.925,418 0.986,419 1.313,421 2.479,422 0.917,423 1.858,424 0.892,425 3.379,426 1.454,427 0.554,428 0.695,430 1.212,431 0.492,432 1.417,433 0.711,434 2.964,435 1.143,436 0.22,437 0.255,439 0.514,440 0.197,441 1.224,442 0.425,443 2.731,444 0.899,445 -0.013,446 -0.016,448 -0.027,449 -0.012,450 0.996,451 0.255,452 2.582,453 0.553,454 -0.291,455 -0.36,457 -0.66,458 -0.204,459 0.708,460 -0.182,461 2.381,462 0.268,463 -0.63,464 -0.744,466 -1.617,467 -0.544,468 11.933,469 0.477,470 0.678,471 0.027,472 35.5,473 1.42,474 19,475 0.76,476 16.5,477 0.66,478 19.368,479 0.775,480 25.867,481 0.663,482 26.271,483 1.051,484 7.173,485 0.287,486 4.906,487 0.196,488 0.168,490 0.419,494 1,496 0.687,497 0.974,498 0.551,499 0.85,500 0.58,501 0.776,502 0.872,503 1.036,504 0.59,505 0.797,506 0.656,507 0.726,508 0.89,509 1.021,510 0.858,511 0.887,512 0.856,513 0.87,514 1.015,515 1.068,516 1.053,517 0.988,518 0.974,519 0.99,520 1.016,521 0.948,522 0.894,523 0.854,524 1.132,525 0.881,526 0.948,527 1.144,528 0.983,529 1.066,530 0.994,531 1.026,532 0.997,533 1.224,534 1.174,535 1.335,536 1.073,537 1.252,538 1.333,539 0.997,540 1.435,541 1.232,542 1.406,543 1.264,544 5,545 0.012,546 3.556,547 2.167,548 1.717,549 1.205,550 0.928,551 0.535,552 0.188,553 0.026,554 5979,555 19663,556 2.105,557 35.9,559 9,562 2,563 3,567 1.692,568 1.948,569 2.906,570 0.312,572 1,577 69.769,578 1.789,579 3.99,580 4.593,581 4.99,582 5.042,583 5.042,584 2.337,585 4.484,586 4.617,587 3.033,588 909.763,589 8.048,590 10518.5,592 1,594 1,595 206.131,596 1.473,597 4.565,598 0.179,599 0.012,600 0.087,601 0.046,602 0.04,603 0.027,604 0.022,605 0.016,606 0.013,607 0.005,608 0.447,609 0.33,610 1,611 0.795,612 115.77,613 -0.037,614 0.007,615 0.014,616 0.013,617 -0.07,618 0.034,619 -0.071,620 -0.094,621 0.109,622 0.106,623 -0.011,624 0.15,625 0.05,626 0.034,627 -0.032,628 0.009,629 0.036,630 -0.028,631 -0.127,632 -0.06,633 -0.14,634 -0.068,635 -0.107,636 -0.097,637 -0.048,638 0.127,639 -0.02,640 0.103,641 -0.052,642 0.053,643 0.007,644 -0.147,645 0.018,646 -0.092,647 -0.021,648 -0.081,649 0.139,650 -0.209,651 -0.019,652 -0.329,653 0.117,654 -0.275,655 -0.084,656 -0.008,657 -0.216,658 -0.192,659 -0.061,660 -0.183,661 2.136,662 6.373,663 0.8,664 17.302,665 1.022,666 1.128,667 3.08,668 9.489,669 0.714,670 3.367,671 3.738,672 4.078,673 4.382,674 4.663,675 4.875,676 5.081,677 5.247,678 5.366,679 5.347,680 4.842,681 0.697,682 356.81,683 3.367,684 4.934,685 5.82,686 6.727,687 7.633,688 8.547,689 9.46,690 10.378,691 11.295,692 12.214,693 10.3,701 2,702 1,703 1,709 6,710 1,711 1,714 9,716 17,719 1,728 1,733 1,734 2,735 39,737 18,738 2,739 28,741 42,742 18,743 15,744 6,745 6,746 1,748 4,749 7,750 1,754 1,762 16,763 2,767 1,775 1,776 1,780 1,781 1,783 14,784 5,785 2,786 7,787 1,792 4,797 0.5,798 1,807 1,815 1,816 2,817 1,820 1,821 1,843 2,847 2,848 1,849 1,851 25,860 1,861 1,873 2,874 2.6,879 1,881 12.833,882 7.852,883 5.444,884 2.188,886 3.597,887 1.47,888 1.035,889 3.981,890 11.255,891 3.651,892 4.321,893 4.965,894 5.582,895 6.126,896 6.541,897 7.037,898 7.507,899 7.947,900 8.247,901 1,902 47,903 9.217,905 4.023,906 7.871,907 17.204,909 14.158,911 2.371,912 59.278,916 141.253,917 114.157,918 68.122,919 39.149,920 11,921 14.96,923 114.157,924 191.402,925 83.082,926 19.708,928 56.857,929 19.42,930 97.294,931 14.96,932 141.253,933 39.149,934 141.253,935 182.279,936 25.96,937 39.149,939 156.213,940 11,943 65.369,944 100.247,945 55.812,947 156.213,948 79.122,949 153.306,952 141.253,953 37.591,954 76.566,955 34.674,956 98.557,957 141.253,958 94.082,959 153.306,961 0.591,962 0.364,963 0.2,964 0.111,965 22,966 10,967 0.048,968 2,969 2,970 1.2,971 3.484,972 228.8,973 0.2,974 20,975 116.096,981 16.124,982 6.172,983 2.695,985 77.419,986 10.338,987 4.191,988 2.91,991 4.188,993 34.674,994 388.641,995 37.5,1003 4.736,1004 0.568,1007 39.873,1008 43.978,1009 0.338,1010 0.755,1011 0.869,1012 0.944,1013 0.954,1014 0.954,1015 4.907,1016 1.414,1017 5.832,1018 4.289,1019 4.419,1020 5.007,1021 1.258,1022 6.706,1023 4.309,1024 6.151,1025 1.28,1026 7.433,1027 3.419,1028 4.111,1029 4.902,1031 7.711,1032 3.929,1033 7.489,1034 0.986,1035 9.133,1036 2.991,1037 6.075,1038 7.27,1039 0.877,1040 10.846,1041 5.883,1042 8.863,1043 0.554,1044 10.89,1045 2.479,1046 6.581,1047 7.971,1049 12.656,1050 6.324,1051 10.268,1052 0.22,1053 12.681,1054 1.212,1055 8.028,1056 9.807,1057 0.647,1058 15.307,1059 7.76,1060 11.693,1061 -0.013,1062 14.496,1063 0.514,1064 8.891,1065 10.88,1067 17.448,1068 8.569,1069 13.135,1070 -0.291,1071 16.328,1072 -0.027,1073 10.145,1074 12.494,1075 0.491,1076 19.933,1077 9.804,1078 3.26,1079 -0.63,1080 18.172,1081 -0.66,1082 11.167,1083 13.745,1085 22.218,1086 10.781,1087 2.938,1088 11.359,1089 20.026,1090 -1.617,1091 12.349,1092 15.259,1093 0.375,1094 24.646,1095 11.939,1096 2.835,1097 9.883,1098 21.887,1099 4.309,1100 13.441,1101 16.599,1103 26.997,1104 12.993,1105 2.409,1106 9.12,1107 23.755,1108 3.993,1109 14.6,1110 18.069,1111 0.286,1112 29.408,1113 14.124,1114 2.059,1115 7.77,1116 25.627,1117 3.84,1118 15.726,1119 19.454,1121 31.791,1122 15.214,1123 1.68,1124 6.201,1125 27.504,1126 3.167,1127 16.879,1128 20.904,1129 0.218,1130 34.201,1131 16.338,1132 1.551,1133 4.916,1134 29.385,1135 2.668,1136 18.022,1137 22.314,1139 36.6,1140 17.448,1141 5772,1142 10586,1143 18.611,1144 27.841,1145 42.931,1146 43.779,1147 44.971,1148 42.561,1149 42.376,1150 56.688,1151 3.72,1152 128.303,1153 39.755,1154 5.443,1155 5.476,1156 6.518,1157 5.291,1158 5.26,1159 7.309,1160 1.72,1161 18.747,1162 5.149,1163 12.333,1164 1.533,1165 1.564,1166 1.606,1167 1.52,1168 1.513,1169 2.025,1170 0.133,1171 4.582,1172 1.42,1173 4.077,1174 4.115,1175 4.089,1176 3.977,1177 8.201,1178 3.988,1179 3.857,1180 3.894,1181 3.923,1182 3.78,1183 5.079,1184 3.779,1185 3.807,1186 3.836,1187 3.779,1188 3.66,1189 4.92,1190 3.684,1191 3.303,1192 3.356,1193 3.305,1194 3.099,1195 4.756,1196 3.117,1197 3.14,1198 3.234,1199 3.207,1200 2.92,1201 4.461,1202 2.928,1203 3.097,1204 3.17,1205 3.017,1206 2.873,1207 4.329,1208 2.867,1209 2.912,1210 2.998,1211 2.929,1212 2.796,1213 4.174,1214 2.768,1215 2.879,1216 2.922,1217 2.755,1218 2.694,1219 3.844,1220 2.696,1221 0.165,1222 0.124,1223 0.244,1224 0.151,1225 0.116,1226 4.619,1227 0.154,1228 3.476,1229 0.031,1230 6.833,1231 0.406,1232 4.227,1233 0.112,1234 3.26,1235 4.309,1236 0.86,1237 11.359,1238 3.149,1239 1.952,1240 1.936,1241 2.014,1242 2.032,1243 1.156,1244 2.028,1245 1.821,1246 1.801,1247 1.905,1248 1.924,1249 1.015,1250 1.922,1251 1.584,1252 1.543,1253 1.748,1254 1.73,1255 0.858,1256 1.735,1257 1.363,1258 1.271,1259 1.572,1260 1.708,1261 0.579,1262 1.658,1263 1.232,1264 1.18,1265 1.511,1266 1.522,1267 0.529,1268 1.534,1269 1.043,1270 0.974,1271 1.228,1272 1.257,1273 0.313,1274 1.259,1275 0.868,1276 0.824,1277 1.104,1278 1.126,1279 0.168,1280 1.105,1281 0.839,1282 0.778,1283 1.06,1284 1.019,1285 0.122,1286 1.061,1287 4.043,1289 5.398,1290 2.398,1291 6.948,1292 4.844,1293 8.586,1294 7.002,1295 10.272,1297 3.276,1298 6.373,1299 14.373,1305 3.223,1306 5.103,1314 27.172,1315 69.769,1316 155.601,1317 179.111,1318 194.621,1319 196.621,1320 196.621,1321 40.862,1322 7.658,1323 66.59,1324 66.59,1325 24,1326 12.724,1327 4.248,1328 3.392,1329 35.415,1330 72,1331 77,1332 0.248,1333 168.217,1334 288.13,1335 402.209,1336 20470,1337 5.1,1338 17.552,1339 0.702,1340 0.571,1341 17.181,1342 14.279,1343 12.08,1344 0.431,1345 0.286,1346 7.517,1347 11.273,1348 7.276,1349 6.03,1350 11.958,1351 7.995,1352 11.08,1353 0.27,1354 0.147,1355 10.921,1356 6.037,1357 9.941,1358 0.171,1359 0.076,1360 9.842,1361 4.404,1362 8.413,1363 0.106,1364 0.039,1365 8.337,1366 3.05,1367 6.949,1368 0.066,1369 0.02,1370 6.903,1371 2.079,1372 0.365,1373 79.36,1374 0.232,1375 23.203,1376 0.764,1377 138,1378 472.006,1379 167.833,1380 462.322,1381 625.46,1382 432,1383 168,1384 446.263,1385 195.406,1386 456.786,1387 673.75,1388 429,1389 7.4}
{0 CHEMBL1980435,1 1.585,2 13.656,3 4.217,4 17.78,5 122.619,6 8.163,7 0.75,8 4.082,9 4.197,10 3.737,11 3.644,12 5.277,13 3.646,14 4.558,15 4.703,16 4.076,17 4.019,18 5.712,19 4.007,20 4.742,21 4.918,22 4.074,23 4.094,24 5.865,25 4.054,26 4.814,27 5.027,28 4.025,29 4.033,30 5.93,31 3.989,32 4.75,33 4.969,34 4.013,35 3.956,36 5.934,37 3.926,38 4.639,39 4.84,40 3.953,41 3.918,42 5.796,43 3.89,44 4.631,45 4.845,46 3.888,47 3.885,48 5.769,49 3.845,50 4.514,51 4.708,52 3.789,53 3.852,54 5.625,55 3.796,56 0.119,57 0.819,58 8.802,59 4.265,60 9.569,61 5.093,62 0.263,63 1.259,64 16.146,65 6.9,66 20.423,67 8.399,68 0.254,69 1.458,70 20.951,71 8.536,72 30.728,73 10.723,74 0.387,75 1.533,76 25.076,77 8.65,78 44.2,79 11.277,80 0.53,81 1.418,82 24.608,83 8.056,84 55.839,85 10.697,86 0.344,87 1.332,88 20.299,89 7.123,90 37.062,91 9.104,92 0.504,93 1.299,94 21.175,95 7.193,96 46.416,97 9.196,98 0.299,99 1.11,100 17.873,101 7.117,102 32.979,103 9.195,104 6,105 50,106 0.258,107 0.594,108 0.735,109 0.857,110 0.882,111 0.882,112 3.502,113 0.84,114 -4.75,115 -4.67,116 -4.39,119 46.2,124 1,125 1,142 12,143 4,144 1,146 2,151 1,153 1,158 1,166 2,168 1,172 14,174 1,175 7,178 1,179 1,180 3,183 14,188 13,191 1,193 5,196 7,200 15,203 1,205 6,208 1,212 2,213 12,216 1,218 4,221 4,224 1,225 7,228 2,230 1,233 9,237 2,238 4,241 5,243 1,246 15,249 2,250 3,258 14,263 2,264 7,269 2,272 9,276 1880,277 22.195,278 22.195,279 22.195,280 22.195,281 22.195,282 18.969,283 20.215,284 13.139,285 22.57,286 17.758,287 17.758,288 17.758,289 17.758,290 17.758,291 12.845,292 28.901,293 6.225,294 18.251,295 4.115,296 2.053,297 1.188,298 0.438,299 0.284,300 0.284,301 4.213,305 1,306 1,307 966,308 3.24,311 161.562,312 304.472,315 134.817,319 2.281,320 24.334,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 69,332 437,333 4.578,334 3.584,335 6.577,336 4.114,337 3.137,338 4.522,339 1.058,340 10.481,341 3.065,342 4.249,343 3.127,344 6.153,345 3.867,346 2.887,347 3.881,348 0.86,349 9.135,350 2.841,351 4.193,352 2.96,353 6.056,354 3.784,355 2.803,356 3.797,357 0.522,358 8.742,359 2.736,360 3.915,361 2.822,362 5.547,363 3.541,364 2.554,365 3.451,367 7.556,368 2.522,369 3.674,370 2.691,371 5.282,372 3.278,373 2.323,374 3.052,376 6.666,377 2.208,378 3.565,379 2.222,380 5.097,381 3.125,382 2.152,383 2.947,385 6.124,386 2.088,387 3.313,388 2.009,389 5.04,390 2.862,391 1.908,392 2.64,394 5.838,395 1.816,396 2.939,397 1.918,398 4.328,399 2.483,400 1.496,401 2.124,403 4.003,404 1.476,405 2.866,406 1.563,407 4.151,408 2.394,409 1.407,410 1.983,412 3.549,413 1.379,414 2.775,415 1.355,416 3.921,417 2.286,418 1.31,419 1.892,421 3.063,422 1.275,423 2.621,424 1.228,425 3.576,426 2.139,427 1.161,428 1.675,430 2.918,431 1.134,432 2.526,433 1.199,434 3.474,435 2.008,436 1.009,437 1.5,439 2.451,440 1.002,441 2.5,442 1,443 3.281,444 2,445 1,446 1.487,448 2.136,449 1,450 2.206,451 0.936,452 3.247,453 1.706,454 0.725,455 1.064,457 1.736,458 0.71,459 2.087,460 0.819,461 3.235,462 1.591,463 0.6,464 0.882,466 1.493,467 0.593,468 15.067,469 0.471,470 0.653,471 0.02,472 47,473 1.469,474 26.5,475 0.828,476 20.5,477 0.641,478 21.808,479 0.681,480 32.333,481 0.622,482 36.319,483 1.135,484 9.703,485 0.303,486 5.988,487 0.187,488 0.055,490 0.325,496 0.693,497 0.999,498 0.692,499 0.931,500 0.593,501 0.832,502 0.938,503 1.073,504 0.835,505 0.943,506 0.683,507 0.889,508 1.014,509 1.228,510 1.019,511 1.159,512 0.958,513 1.104,514 1.158,515 1.201,516 1.056,517 1.067,518 1.225,519 1.039,520 1.057,521 1.056,522 0.886,523 0.857,524 1.209,525 0.836,526 1.128,527 1.082,528 0.985,529 0.961,530 1.201,531 0.944,532 1.105,533 0.703,534 1.025,535 0.79,536 1.47,537 0.871,538 0.879,539 0.952,540 0.959,541 0.998,542 0.838,543 0.996,544 6,545 0.154,546 3.111,547 1.764,548 1.472,549 1.011,550 0.541,551 0.406,552 0.247,553 0.247,554 16004,555 43273,556 2.174,557 38.5,559 17,560 1,562 2,567 1.743,568 2.087,569 3.733,570 0.208,572 1,577 82.435,578 1.585,579 3.648,580 4.512,581 5.263,582 5.417,583 5.417,584 3.23,585 4.75,586 4.968,587 3.893,588 1930.88,589 8.68,590 28854,592 1,595 296.423,596 1.198,597 4.954,598 0.167,599 0.005,600 0.062,601 0.037,602 0.033,603 0.023,604 0.013,605 0.01,606 0.007,607 0.007,608 0.365,609 0.17,610 0.88,611 0.563,612 170.058,613 0.093,614 0.121,615 0.061,616 0.014,617 -0.023,618 0.024,619 0.001,620 -0.007,621 0.002,622 0.012,623 0.004,624 0.003,625 -0.096,626 -0.211,627 -0.118,628 -0.19,629 -0.051,630 -0.166,631 -0.105,632 -0.187,633 -0.066,634 -0.121,635 -0.075,636 -0.09,637 0.101,638 -0.051,639 0.138,640 0.09,641 0.141,642 0.12,643 -0.083,644 -0.031,645 -0.028,646 -0.031,647 -0.047,648 -0.023,649 0.025,650 0.341,651 -0.033,652 0.142,653 -0.146,654 0.059,655 0.046,656 0.022,657 -0.016,659 0.059,660 -0.014,661 1.923,662 5.716,663 0.813,664 38.203,665 1.009,666 1.121,667 3.524,668 12.42,669 0.698,670 3.611,671 3.932,672 4.22,673 4.489,674 4.691,675 4.779,676 4.956,677 5.106,678 5.22,679 5.357,680 7.841,681 0.678,682 424.5,683 3.611,684 5.153,685 6.009,686 6.884,687 7.755,688 8.636,689 9.513,690 10.397,691 11.279,692 12.166,693 11.5,700 1,701 2,703 3,708 2,709 13,710 3,711 1,714 6,715 1,716 27,723 1,733 1,735 52,737 28,738 3,739 36,741 56,742 24,743 21,744 6,745 12,746 1,748 5,749 6,762 22,763 2,767 1,772 1,776 1,780 1,783 20,784 6,785 2,786 8,792 6,797 0.8,798 2,807 1,815 2,816 3,819 1,843 4,847 1,851 32,858 1,860 1,861 1,871 1,874 3.8,877 1,879 1,881 15.333,882 9.717,883 7.028,884 2.904,886 4.946,887 1.592,888 1.033,889 5.506,890 13.3,891 3.942,892 4.58,893 5.207,894 5.82,895 6.32,896 6.644,897 7.135,898 7.59,899 7.952,900 8.367,901 1,902 48,903 11.757,905 5.021,906 7.719,907 22.304,909 18.19,911 2.219,912 71,915 1,916 211.88,917 165.058,918 86.317,920 36.145,923 165.058,924 248.025,925 86.317,926 10.883,927 20.116,928 122.762,929 79.716,930 54.041,931 11.771,932 200.109,934 211.88,935 251.375,936 36.145,939 211.88,940 36.145,943 45.785,944 155.723,945 49.867,947 211.88,948 122.462,949 165.058,952 211.88,953 31.412,954 135.422,955 34.674,956 86.011,957 211.88,958 122.462,959 165.058,961 0.578,962 0.341,963 0.185,964 0.098,965 25,966 10,967 0.107,968 6,969 1,970 1.077,971 4.473,972 294.62,973 0.077,974 26,975 156,981 20.13,982 8.752,983 4.334,984 1.53,985 104.022,986 24.745,987 12.845,988 2.905,991 4.41,992 1.801,993 34.674,994 499.399,995 50.5,1000 12.716,1004 -0.256,1007 52.451,1008 58.315,1009 0.278,1010 0.64,1011 0.792,1012 0.923,1013 0.95,1014 0.95,1015 5.158,1016 1.496,1017 5.979,1018 5.838,1019 4.615,1020 5.268,1021 1.661,1022 6.772,1023 4.565,1024 6.372,1025 1.407,1026 7.521,1027 4.003,1028 4.111,1029 4.997,1031 7.6,1032 4.04,1033 7.677,1034 1.31,1035 9.16,1036 3.549,1037 6.192,1038 7.507,1039 1.558,1040 10.695,1041 6.097,1042 9.02,1043 1.161,1044 10.857,1045 3.063,1046 6.538,1047 8.109,1049 12.363,1050 6.421,1051 10.394,1052 1.009,1053 12.591,1054 2.918,1055 8.043,1056 10.032,1057 1.539,1058 14.946,1059 7.908,1060 11.791,1061 1,1062 14.35,1063 2.451,1064 8.781,1065 11.06,1067 16.97,1068 8.623,1069 13.206,1070 0.725,1071 16.128,1072 2.136,1073 10.05,1074 12.731,1075 1.559,1076 19.376,1077 9.874,1078 3.137,1079 0.6,1080 17.921,1081 1.736,1082 10.978,1083 13.981,1085 21.56,1086 10.779,1087 2.887,1088 10.481,1089 19.724,1090 1.493,1091 12.146,1092 15.54,1093 1.603,1094 23.905,1095 11.93,1096 2.803,1097 9.135,1098 21.537,1099 4.522,1100 13.167,1101 16.907,1103 26.164,1104 12.927,1105 2.554,1106 8.742,1107 23.357,1108 3.881,1109 14.297,1110 18.42,1111 1.663,1112 28.491,1113 14.038,1114 2.323,1115 7.556,1116 25.183,1117 3.797,1118 15.364,1119 19.848,1121 30.786,1122 15.081,1123 2.152,1124 6.666,1125 27.015,1126 3.451,1127 16.48,1128 21.345,1129 1.734,1130 33.111,1131 16.177,1132 1.908,1133 6.124,1134 28.851,1135 3.052,1136 17.571,1137 22.805,1139 35.426,1140 17.245,1141 14804,1142 24526,1143 24.849,1144 36.273,1145 54.296,1146 55.105,1147 54.6,1148 53.744,1149 53.792,1150 74.748,1151 4.88,1152 153.027,1153 52.422,1154 5.417,1155 5.584,1156 6.379,1157 5.156,1158 5.137,1159 7.522,1160 2.117,1161 17.295,1162 5.065,1163 10.846,1164 1.508,1165 1.531,1166 1.517,1167 1.493,1168 1.494,1169 2.076,1170 0.136,1171 4.251,1172 1.456,1173 4.132,1174 4.174,1175 4.102,1176 4.021,1177 7.429,1178 4.035,1179 3.95,1180 4.001,1181 3.897,1182 3.857,1183 5.14,1184 3.854,1185 3.917,1186 3.936,1187 3.865,1188 3.841,1189 5.027,1190 3.843,1191 3.773,1192 3.829,1193 3.725,1194 3.567,1195 4.85,1196 3.605,1197 3.43,1198 3.482,1199 3.365,1200 3.213,1201 4.735,1202 3.243,1203 3.279,1204 3.335,1205 3.188,1206 3.039,1207 4.362,1208 3.065,1209 3.165,1210 3.226,1211 3.009,1212 2.942,1213 4.322,1214 2.943,1215 3.036,1216 3.102,1217 2.908,1218 2.884,1219 3.919,1220 2.884,1221 0.127,1222 0.1,1223 0.183,1224 0.114,1225 0.087,1226 4.578,1227 0.126,1228 3.584,1229 0.029,1230 6.577,1231 0.291,1232 4.114,1233 0.085,1234 3.137,1235 4.522,1236 1.058,1237 10.481,1238 3.065,1239 1.951,1240 1.931,1241 2.046,1242 2.031,1243 1.185,1244 2.034,1245 1.912,1246 1.883,1247 2.017,1248 2.01,1249 1.151,1250 2.015,1251 1.889,1252 1.87,1253 1.987,1254 1.978,1255 1.074,1256 1.981,1257 1.464,1258 1.409,1259 1.618,1260 1.75,1261 0.76,1262 1.698,1263 1.421,1264 1.351,1265 1.58,1266 1.695,1267 0.58,1268 1.67,1269 1.218,1270 1.155,1271 1.531,1272 1.525,1273 0.545,1274 1.533,1275 1.199,1276 1.136,1277 1.336,1278 1.444,1279 0.431,1280 1.406,1281 1.045,1282 1.003,1283 1.21,1284 1.304,1285 0.245,1286 1.267,1287 4.29,1289 5.609,1290 3.045,1291 7.116,1292 5.352,1293 8.702,1294 7.402,1295 10.332,1297 1.566,1303 0.643,1305 2.895,1306 5.2,1314 35.246,1315 82.435,1316 189.688,1317 234.648,1318 273.668,1319 281.668,1320 281.668,1321 45.534,1322 8.353,1323 97.72,1324 97.72,1325 28,1326 12.698,1327 4.858,1328 3.954,1329 45.847,1330 149,1331 154,1332 0.147,1333 214.722,1334 356.72,1335 515.681,1336 58044,1338 21.916,1339 0.685,1340 0.541,1341 21.916,1342 17.318,1343 15.691,1344 0.436,1345 0.28,1346 9.918,1347 15.051,1348 9.699,1349 8.074,1350 15.691,1351 10.074,1352 13.927,1353 0.279,1354 0.146,1355 13.927,1356 7.304,1357 12.122,1358 0.181,1359 0.077,1360 12.122,1361 5.146,1362 10.141,1363 0.115,1364 0.04,1365 10.141,1366 3.493,1367 8.077,1368 0.075,1369 0.021,1370 8.077,1371 2.296,1372 0.235,1373 98.676,1374 0.201,1375 30.299,1376 0.391,1377 172,1378 512.717,1379 188.222,1380 500.931,1381 696.12,1382 470,1383 203,1384 530.346,1385 220.807,1386 537.694,1387 777.85,1388 504,1389 5.5}
{0 CHEMBL1980489,1 1.741,2 10,3 1.362,4 1.856,5 86.478,6 9.228,7 0.5,8 3.65,9 3.75,10 3.39,11 3.265,12 4.891,13 3.262,14 4.084,15 4.214,16 3.709,17 3.573,18 5.336,19 3.555,20 4.302,21 4.475,22 3.722,23 3.63,24 5.66,25 3.57,26 4.274,27 4.484,28 3.476,29 3.517,30 5.421,31 3.431,32 4.186,33 4.389,34 3.491,35 3.45,36 5.388,37 3.412,38 4.107,39 4.249,40 3.568,41 3.409,42 5.526,43 3.405,44 4.067,45 4.213,46 3.44,47 3.3,48 5.55,49 3.291,50 3.94,51 4.129,52 3.258,53 3.162,54 5.294,55 3.107,56 0.08,57 0.487,58 4.255,59 2.619,60 7.285,61 2.875,62 0.151,63 0.734,64 7.95,65 4.201,66 15.713,67 4.675,68 0.415,69 0.861,70 15.078,71 5.772,72 53.496,73 6.953,74 0.397,75 0.826,76 16.638,77 5.836,78 41.839,79 7.148,80 0.316,81 0.742,82 13.899,83 5.302,84 47.398,85 6.182,86 0.312,87 0.663,88 12.782,89 4.618,90 37.881,91 4.715,92 0.368,93 0.638,94 11.173,95 4.277,96 46.639,97 4.083,98 0.332,99 0.535,100 11.392,101 4.198,102 51.082,103 4.535,104 10,105 33,106 0.317,107 0.651,108 0.758,109 0.819,110 0.83,111 0.83,112 3.146,113 0.877,114 -2.51,115 -2.53,116 -2.48,119 47.1,125 1,138 2,142 6,143 1,144 2,145 2,156 2,172 4,175 2,180 3,183 7,187 1,191 2,192 1,193 2,196 4,203 3,205 2,208 1,213 3,218 3,225 5,230 3,237 1,238 4,241 1,243 2,246 2,249 1,250 2,258 4,264 2,269 1,272 4,276 704,277 14.845,278 14.845,279 14.845,280 14.845,281 14.845,282 12.888,283 17.245,284 8.82,285 15.109,286 11.818,287 11.818,288 11.818,289 11.818,290 11.818,291 8.821,292 26.297,293 4.217,294 12.265,295 3.346,296 1.515,297 0.927,298 0.588,299 0.529,300 0.529,301 3.824,302 1,304 1,305 1,306 1,307 471,308 2.55,310 57.082,312 152.817,319 1.455,320 25.857,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 47.833,332 220,333 4.651,334 3.967,335 6.95,336 4.305,337 3.297,338 4.157,339 0.657,340 11.621,341 3.322,342 4.01,343 2.971,344 5.424,345 3.582,346 2.615,347 3.613,348 0.4,349 7.176,350 2.529,351 3.881,352 2.847,353 5.403,354 3.461,355 2.489,356 3.428,358 7.084,359 2.416,360 3.425,361 2.707,362 4.963,363 3.01,364 2.11,365 2.708,367 5.718,368 1.818,369 3.083,370 2.608,371 4.854,372 2.582,373 1.613,374 2.188,376 4.768,377 1.558,378 2.94,379 2.232,380 4.822,381 2.579,382 1.58,383 2.006,385 4.496,386 1.552,387 2.768,388 1.607,389 3.604,390 2.26,391 1.279,392 1.74,394 2.971,395 1.241,396 2.5,397 1.284,398 3.414,399 2,400 1,401 1.5,403 2.275,404 1,405 2.5,406 1,407 3.29,408 1.984,409 1,410 1.5,412 2.136,413 0.983,414 2.029,415 1,416 3.247,417 1.669,418 0.685,419 0.842,421 1.621,422 0.655,423 1.471,424 0.772,425 2.845,426 1.097,427 0.117,428 0.15,430 0.282,431 0.108,432 1.071,433 0.28,434 2.353,435 0.647,436 -0.241,437 -0.296,439 -0.547,440 -0.182,441 0.783,442 -0.128,443 2,444 0.387,445 -0.578,446 -0.751,448 -1.326,449 -0.531,450 0.5,451 -0.372,452 2,454 -1,455 -1.307,457 -2.347,458 -0.892,459 0.5,460 -0.642,461 1.743,462 -0.049,463 -1,464 -1.5,466 -2.765,467 -0.946,468 10.581,469 0.481,470 0.524,471 0.024,472 31.25,473 1.42,474 17,475 0.773,476 14.25,477 0.648,478 13.453,479 0.611,480 22.419,481 0.659,482 21.297,483 0.968,484 6.444,485 0.293,486 4.204,487 0.191,488 0.131,490 0.331,496 0.671,497 1.142,498 0.554,499 0.813,500 0.543,501 0.758,502 0.804,503 1.294,504 0.71,505 1.005,506 0.664,507 0.962,508 0.662,509 1.118,510 1.022,511 1.119,512 0.558,513 1.132,514 0.816,515 0.915,516 1.018,517 1.018,518 0.809,519 1.092,520 1.095,521 0.853,522 0.636,523 0.742,524 1.192,525 0.769,526 1.425,527 1.126,528 1.055,529 1.133,530 1.555,531 1.02,532 1.659,533 0.988,534 1.057,535 1.034,536 1.907,537 1.066,538 1.439,539 0.788,540 0.908,541 0.772,542 1.712,543 0.878,544 4,545 0.049,546 2.444,547 1.688,548 1.076,549 0.785,550 0.447,551 0.323,552 0.205,553 0.071,554 5272,555 18545,556 2.07,557 35.3,559 8,561 2,562 2,567 1.644,568 1.941,569 3.311,570 0.348,572 1,574 1,577 59.199,578 1.741,579 3.572,580 4.161,581 4.499,582 4.558,583 4.558,584 2.754,585 3.88,586 4.43,587 3.431,588 792.522,589 7.605,590 8951.65,591 1,592 1,595 172.974,596 1.395,597 4.392,598 0.167,599 0.005,600 0.079,601 0.058,602 0.047,603 0.031,604 0.017,605 0.015,606 0.012,607 0.005,608 0.436,609 0.33,610 1,611 0.595,612 102.359,613 -0.084,614 -0.046,616 0.03,617 -0.058,618 0.042,619 -0.093,620 -0.227,621 -0.028,622 -0.134,623 -0.043,624 -0.114,625 0.205,626 -0.113,627 -0.089,628 -0.176,629 0.218,630 -0.184,631 0.042,632 0.068,633 -0.095,634 -0.051,635 -0.023,636 -0.078,637 -0.125,638 0.104,639 0.132,640 0.22,641 -0.099,642 0.241,643 -0.196,644 -0.164,645 -0.151,646 -0.192,647 -0.145,648 -0.123,649 -0.251,650 -0.006,651 -0.225,652 -0.114,653 -0.214,654 -0.197,655 -0.171,656 0.123,657 0.04,658 0.228,659 -0.199,660 0.126,661 2.185,662 4.694,663 0.727,664 17.636,665 1.021,666 1.116,667 1.278,668 1.634,669 0.723,670 3.219,671 3.526,672 3.784,673 3.932,674 4.094,675 4.06,676 4.127,677 4.22,678 4.29,679 4.263,680 5.872,681 0.705,682 313.76,683 3.219,684 4.745,685 5.587,686 6.454,687 7.318,688 8.193,689 9.069,690 9.951,691 10.834,692 11.722,693 8.8,695 1,698 1,703 1,709 8,710 1,714 3,716 12,728 1,734 1,735 34,737 15,738 1,739 24,741 36,742 16,743 11,744 2,745 4,746 4,748 3,749 3,750 1,762 15,763 1,767 3,772 2,776 4,779 1,780 1,783 12,784 5,785 2,786 6,787 1,792 3,797 1,798 2,809 1,814 1,816 2,827 2,834 2,838 1,843 3,848 1,851 22,858 1,860 2,873 1,874 5.9,877 2,881 11.333,882 6.093,883 4.861,884 1.884,886 2.36,887 1.352,888 1.004,889 4.117,890 9.066,891 3.526,892 4.094,893 4.635,894 5.037,895 5.459,896 5.396,897 5.66,898 6.047,899 6.382,900 6.566,901 0.857,902 29,903 8.101,905 3.492,906 8.013,907 14.987,909 12.089,911 2.513,912 55.278,916 117.711,917 102.281,918 52.807,919 39.149,920 50.29,923 102.281,924 207.15,925 52.807,927 2.106,928 74.868,929 124.409,930 27.538,932 94.169,933 39.149,934 117.711,935 155.088,936 50.29,937 39.149,939 117.711,940 50.29,943 38.211,944 76.567,945 79.458,947 117.711,948 103.097,949 141.43,952 117.711,953 27.329,954 74.952,955 36.022,956 106.224,957 117.711,958 103.097,959 141.43,961 0.58,962 0.338,963 0.167,964 0.09,965 16,966 7,967 0.139,968 5,970 1,971 3.558,972 164.203,974 16,975 90.107,981 14.606,982 6.2,983 3.149,985 103.097,986 13.921,987 3.898,991 2.321,993 36.022,994 362.238,995 33,1000 23.384,1004 -0.442,1007 34.702,1008 37.934,1009 0.342,1010 0.702,1011 0.818,1012 0.884,1013 0.896,1014 0.896,1015 4.745,1016 1,1017 5.565,1018 2.971,1019 4.205,1020 4.779,1021 0.781,1022 6.358,1023 4.147,1024 5.949,1025 1,1026 7.116,1027 2.275,1028 3.761,1029 4.494,1031 7.239,1032 3.689,1033 7.258,1034 0.685,1035 8.771,1036 2.136,1037 5.802,1038 6.935,1039 0.354,1040 10.426,1041 5.723,1042 8.606,1043 0.117,1044 10.492,1045 1.621,1046 6.236,1047 7.487,1049 12.235,1050 6.187,1051 9.991,1052 -0.241,1053 12.259,1054 0.282,1055 7.735,1056 9.378,1057 0.157,1058 14.964,1059 7.674,1060 11.404,1061 -0.578,1062 14.061,1063 -0.547,1064 8.577,1065 10.324,1067 17.152,1068 8.557,1069 12.839,1070 -1,1071 15.891,1072 -1.326,1073 9.868,1074 11.973,1075 0.069,1076 19.722,1077 9.845,1078 3.297,1079 -1,1080 17.744,1081 -2.347,1082 10.899,1083 13.124,1085 22.063,1086 10.911,1087 2.615,1088 11.621,1089 19.616,1090 -2.765,1091 12.114,1092 14.655,1093 0.03,1094 24.57,1095 12.131,1096 2.489,1097 7.176,1098 21.502,1099 4.157,1100 13.232,1101 15.918,1103 26.973,1104 13.273,1105 2.11,1106 7.084,1107 23.4,1108 3.613,1109 14.423,1110 17.389,1111 0.013,1112 29.451,1113 14.474,1114 1.613,1115 5.718,1116 25.307,1117 3.428,1118 15.58,1119 18.717,1121 31.882,1122 15.648,1123 1.58,1124 4.768,1125 27.222,1126 2.708,1127 16.766,1128 20.157,1129 0.006,1130 34.347,1131 16.844,1132 1.279,1133 4.496,1134 29.142,1135 2.188,1136 17.94,1137 21.523,1139 36.79,1140 18.033,1141 5121,1142 9704,1143 16.008,1144 24.591,1145 36.265,1146 38.071,1147 37.132,1148 35.792,1149 35.573,1150 47.666,1151 2.115,1152 100.295,1153 34.363,1154 5.595,1155 5.967,1156 6.752,1157 5.34,1158 5.297,1159 7.157,1160 1.315,1161 19.621,1162 5.322,1163 10.106,1164 1.511,1165 1.586,1166 1.547,1167 1.491,1168 1.482,1169 1.986,1170 0.088,1171 4.179,1172 1.432,1173 3.997,1174 4.024,1175 4.012,1176 3.892,1177 7.501,1178 3.898,1179 3.887,1180 3.915,1181 3.93,1182 3.804,1183 7.349,1184 3.812,1185 3.784,1186 3.808,1187 3.743,1188 3.663,1189 4.946,1190 3.679,1191 3.245,1192 3.309,1193 3.408,1194 3.085,1195 4.911,1196 3.077,1197 2.917,1198 2.995,1199 2.887,1200 2.735,1201 4.448,1202 2.715,1203 2.854,1204 2.925,1205 2.838,1206 2.735,1207 4.274,1208 2.715,1209 2.854,1210 2.925,1211 2.687,1212 2.615,1213 3.943,1214 2.661,1215 2.684,1216 2.727,1217 2.687,1218 2.481,1219 3.674,1220 2.488,1221 0.194,1222 0.165,1223 0.29,1224 0.179,1225 0.137,1226 4.651,1227 0.173,1228 3.967,1229 0.027,1230 6.95,1231 0.484,1232 4.305,1233 0.138,1234 3.297,1235 4.157,1236 0.657,1237 11.621,1238 3.322,1239 1.925,1240 1.901,1241 2.018,1242 2.057,1243 1.163,1244 2.04,1245 1.862,1246 1.838,1247 1.951,1248 1.968,1249 1.005,1250 1.975,1251 1.728,1252 1.707,1253 1.789,1254 1.87,1255 0.856,1256 1.85,1257 1.2,1258 1.142,1259 1.425,1260 1.428,1261 0.599,1262 1.435,1263 0.886,1264 0.821,1265 1.181,1266 1.125,1267 0.218,1268 1.107,1269 0.886,1270 0.821,1271 1.181,1272 1.062,1273 0.218,1274 1.107,1275 0.783,1276 0.706,1277 0.99,1278 1.062,1280 1.086,1281 0.595,1282 0.541,1283 0.815,1284 0.824,1286 0.836,1287 3.892,1289 5.242,1291 6.81,1293 8.466,1295 10.164,1298 5.825,1303 0.438,1305 5.933,1314 23.955,1315 59.199,1316 121.464,1317 141.464,1318 152.974,1319 154.974,1320 154.974,1321 39.551,1322 6.706,1323 71.09,1324 71.09,1325 16,1326 12.254,1327 4,1328 3.322,1329 34.508,1330 75,1331 80,1332 0.219,1333 152.429,1334 268.51,1335 363.688,1336 6789,1337 2.9,1338 15.527,1339 0.706,1340 0.556,1341 16.027,1342 12.224,1343 10.648,1344 0.444,1345 0.292,1346 6.584,1347 10.01,1348 6.431,1349 5.314,1350 10.937,1351 7.014,1352 9.489,1353 0.288,1354 0.157,1355 9.897,1356 5.186,1357 8.104,1358 0.188,1359 0.081,1360 8.393,1361 3.495,1362 6.023,1363 0.12,1364 0.042,1365 6.19,1366 2.115,1367 4.768,1368 0.081,1369 0.024,1370 5.004,1371 1.443,1372 0.345,1373 69.58,1374 0.25,1375 21.969,1376 0.597,1377 114,1378 375.985,1379 138.889,1380 394.985,1381 519.63,1382 366,1383 133,1384 348.192,1385 153.487,1386 363.651,1387 529.7,1388 342,1389 5.1}
{0 CHEMBL1980540,1 1.987,2 9.76,3 4.133,4 17.081,5 84.976,6 10.479,7 0.63,8 3.712,9 3.809,10 3.533,11 3.265,12 5.045,13 3.307,14 4.211,15 4.327,16 4.011,17 3.616,18 6.083,19 3.654,20 4.392,21 4.555,22 4.027,23 3.702,24 5.883,25 3.721,26 4.371,27 4.539,28 3.951,29 3.612,30 5.86,31 3.636,32 4.333,33 4.507,34 3.831,35 3.465,36 5.896,37 3.5,38 4.218,39 4.411,40 3.561,41 3.293,42 5.702,43 3.321,44 4.02,45 4.18,46 3.688,47 3.191,48 5.98,49 3.237,50 3.876,51 4.049,52 3.355,53 3.226,54 5.227,55 3.212,56 0.267,57 0.756,58 2.391,59 2.742,60 36.559,61 2.332,62 0.893,63 1.476,64 5.527,65 4.721,66 134.752,67 4.139,68 0.759,69 1.222,70 12.002,71 5.411,72 81.627,73 5.245,74 0.795,75 1.188,76 12.244,77 5.882,78 98.11,79 5.512,80 0.89,81 1.074,82 14.213,83 5.329,84 96.821,85 4.771,86 0.895,87 0.875,88 15.755,89 5.248,90 131.679,91 4.737,92 0.866,93 0.756,94 10.084,95 3.699,96 130.816,97 3.646,98 0.501,99 0.765,100 8.393,101 3.863,102 70.402,103 3.66,104 27,105 39,106 0.359,107 0.645,108 0.769,109 0.881,110 0.901,111 0.901,112 3.267,113 0.82,114 -4.49,115 -4.41,116 -4.16,119 45.7,132 1,142 7,143 1,144 2,145 1,146 2,147 1,159 1,172 5,175 4,178 3,179 1,180 3,183 5,188 4,193 2,196 4,199 1,200 4,203 2,205 5,208 2,213 2,218 4,221 2,224 1,225 4,228 1,230 2,233 2,238 3,243 2,246 3,249 1,250 2,258 4,264 3,272 4,276 854,277 16.264,278 16.264,279 16.264,280 16.264,281 16.264,282 14.093,283 17.779,284 9.446,285 16.838,286 13.34,287 13.34,288 13.34,289 13.34,290 13.34,291 10.081,292 25.042,293 4.471,294 14.413,295 3.142,296 1.554,297 0.869,298 0.25,299 0.136,300 0.136,301 3.944,302 1,305 1,306 1,307 517,308 3.742,312 213.221,316 110.911,319 1.488,320 45.05,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 57.833,332 244,333 4.575,334 4.46,335 7.116,336 4.168,337 3.32,338 4.528,339 3.825,340 11.69,341 3.006,342 4.453,343 3.571,344 6.669,345 4.085,346 3.121,347 3.869,348 1.656,349 10.72,350 2.835,351 3.908,352 3.25,353 5.7,354 3.551,355 2.615,356 3.258,357 0.247,358 7.706,359 2.426,360 3.738,361 2.674,362 5.476,363 3.298,364 2.376,365 3.112,367 7.222,368 2.158,369 3.417,370 2.569,371 4.886,372 2.964,373 2.004,374 2.635,376 5.552,377 1.882,378 3.118,379 1.845,380 4.497,381 2.587,382 1.618,383 2.427,385 4.361,386 1.564,387 2.895,388 1.739,389 4.313,390 2.451,391 1.523,392 2.037,394 3.817,395 1.387,396 2.832,397 1.618,398 4.081,399 2.338,400 1.376,401 1.959,403 3.748,404 1.302,405 2.572,406 1.201,407 3.49,408 2.067,409 1.123,410 1.602,412 2.542,413 1.045,414 2.559,415 1.189,416 3.441,417 2.046,418 1.102,419 1.575,421 2.429,422 1.006,423 1.444,424 0.69,425 2.954,426 1.043,427 0.136,428 0.166,430 0.351,431 0.116,432 1.182,433 0.51,434 2.724,435 0.774,436 -0.173,437 -0.22,439 -0.434,440 -0.147,441 0.98,442 0.51,443 2.464,444 0.495,445 -0.419,446 -0.556,448 -0.976,449 -0.349,450 0.882,451 0.415,452 2.365,453 0.359,454 -0.618,455 -0.927,457 -1.594,458 -0.603,459 0.671,460 0.101,461 2.276,462 0.212,463 -0.741,464 -0.973,466 -1.965,467 -0.698,468 11.505,469 0.46,470 0.83,471 0.033,472 35.25,473 1.41,474 18.5,475 0.74,476 16.75,477 0.67,478 16.578,479 0.663,480 26.895,481 0.768,482 27.906,483 1.116,484 7.271,485 0.291,486 4.571,487 0.183,488 0.166,489 0.043,490 0.304,493 3,496 0.632,497 0.968,498 0.508,499 0.853,500 0.614,501 0.757,502 0.408,503 0.772,504 0.583,505 0.899,506 0.402,507 0.945,508 0.683,509 0.76,510 0.882,511 0.897,512 0.613,513 0.947,514 0.953,515 1.003,516 0.998,517 1.039,518 0.878,519 1.059,520 1.053,521 0.869,522 1.178,523 1.082,524 1.081,525 1.135,526 1.307,527 0.877,528 1.244,529 0.923,530 1.372,531 1.013,532 0.469,533 0.571,534 0.655,535 0.738,536 0.556,537 0.813,538 0.941,539 0.839,540 1.051,541 0.877,542 0.917,543 1.009,544 6.5,545 0.178,546 3.111,547 2.125,548 1.427,549 0.799,550 0.569,551 0.203,552 0.23,553 0.217,554 6987,555 31136,556 2.005,557 28.6,559 7,561 1,562 2,567 1.679,568 1.84,569 3.283,570 0.391,572 1,577 69.551,578 1.987,579 3.575,580 4.261,581 4.879,582 4.993,583 4.993,584 2.661,585 4.294,586 4.622,587 3.468,588 1040.46,589 7.98,590 12783.5,592 1,593 1,594 1,595 179.525,596 1.673,597 4.546,598 0.241,599 0.009,600 0.08,601 0.054,602 0.041,603 0.027,604 0.024,605 0.008,606 0.011,607 0.01,608 0.504,609 0.33,610 1,611 0.836,612 120.95,613 -0.078,614 -0.095,615 -0.011,616 -0.005,617 -0.107,618 0.029,619 0.419,620 0.255,621 0.057,622 -0.007,623 0.405,624 -0.142,625 0.004,626 0.005,627 -0.002,628 -0.007,629 0.024,630 -0.007,631 -0.123,632 -0.147,633 -0.053,634 -0.103,635 -0.072,636 -0.085,637 -0.117,638 -0.022,639 -0.171,640 -0.146,641 -0.13,642 -0.165,643 -0.279,644 -0.031,645 -0.198,646 0.054,647 -0.278,648 0.04,649 0.496,650 0.258,651 0.259,652 0.187,653 0.475,654 0.148,655 -0.149,656 0.061,657 -0.171,658 0.096,659 -0.157,660 0.014,661 5.841,662 5.075,663 0.64,664 18.806,665 1.058,666 1.15,667 3.256,668 10.605,669 0.713,670 3.332,671 3.689,672 3.892,673 4.127,674 4.331,675 4.29,676 4.394,677 4.331,678 4.443,679 4.357,680 6.163,681 0.726,682 366.75,683 3.332,684 4.89,685 5.727,686 6.616,687 7.471,688 8.358,689 9.221,690 10.105,691 10.971,692 11.853,693 11.4,700 2,703 2,708 2,709 8,710 2,714 4,716 17,734 1,735 35,737 18,738 1,739 27,741 37,742 16,743 14,744 3,745 3,748 3,749 4,750 1,753 1,754 1,759 1,762 15,763 1,767 1,772 1,776 1,780 1,781 3,783 10,784 8,785 2,786 9,787 1,792 4,797 0.667,798 1,809 2,816 3,820 1,843 2,848 1,849 3,851 25,860 2,865 1,873 4,874 2.9,877 1,881 13.583,882 6.305,883 5.333,884 1.873,886 3.369,887 1.475,888 1.008,889 4.687,890 10.458,891 3.624,892 4.263,893 4.832,894 5.435,895 5.985,896 6.165,897 6.518,898 6.747,899 7.087,900 6.961,901 1,902 39,903 9.704,905 4.695,906 8.501,907 16.325,909 13.064,911 3.001,912 75.028,916 94.169,917 103.476,918 69.593,919 39.149,920 25.145,921 44.88,923 103.476,924 158.462,925 114.473,927 36.022,928 66.334,929 70.487,930 67.659,931 6.604,932 82.398,933 46.908,934 94.169,935 173.068,936 70.025,937 39.149,939 94.169,940 70.025,943 57.729,944 81.768,945 72.72,947 139.049,948 94.737,949 142.624,952 101.928,953 20.335,954 75.381,955 36.022,956 142.745,957 94.169,958 139.618,959 142.624,961 0.595,962 0.333,963 0.175,964 0.096,965 19,966 9,967 0.054,968 2,969 1,970 1.125,971 3.62,972 203.126,973 0.125,974 16,975 111.342,981 17.308,982 6.77,983 3.941,984 1.098,985 139.618,986 11.332,987 7.502,991 -0.478,993 36.022,994 376.411,995 36.5,1000 12.075,1004 -0.737,1007 37.014,1008 40.242,1009 0.387,1010 0.697,1011 0.831,1012 0.951,1013 0.974,1014 0.974,1015 4.869,1016 1.376,1017 5.765,1018 3.817,1019 4.369,1020 4.949,1021 3.244,1022 6.616,1023 4.219,1024 6.117,1025 1.123,1026 7.361,1027 3.748,1028 4.205,1029 4.879,1030 3.949,1031 7.803,1032 3.854,1033 7.451,1034 1.102,1035 9.07,1036 2.542,1037 6.057,1038 7.206,1039 5.464,1040 10.809,1041 5.739,1042 8.821,1043 0.136,1044 10.847,1045 2.429,1046 6.661,1047 7.911,1048 6.701,1049 12.784,1050 6.132,1051 10.221,1052 -0.173,1053 12.668,1054 0.351,1055 8.072,1056 9.774,1057 8.065,1058 15.392,1059 7.55,1060 11.642,1061 -0.419,1062 14.519,1063 -0.434,1064 9.006,1065 10.869,1066 9.391,1067 17.655,1068 8.302,1069 13.081,1070 -0.618,1071 16.392,1072 -0.976,1073 10.26,1074 12.526,1075 10.736,1076 20.144,1077 9.521,1078 3.32,1079 -0.741,1080 18.281,1081 -1.594,1082 11.333,1083 13.823,1084 12.075,1085 22.514,1086 10.446,1087 3.121,1088 11.69,1089 20.183,1090 -1.965,1091 12.532,1092 15.388,1093 13.417,1094 24.966,1095 11.58,1096 2.615,1097 10.72,1098 22.094,1099 4.528,1100 13.665,1101 16.787,1102 14.758,1103 27.377,1104 12.586,1105 2.376,1106 7.706,1107 24.013,1108 3.869,1109 14.847,1110 18.312,1111 16.1,1112 29.819,1113 13.687,1114 2.004,1115 7.222,1116 25.937,1117 3.258,1118 16.006,1119 19.763,1120 17.441,1121 32.247,1122 14.732,1123 1.618,1124 5.552,1125 27.866,1126 3.112,1127 17.185,1128 21.273,1129 18.783,1130 34.687,1131 15.819,1132 1.523,1133 4.361,1134 29.799,1135 2.635,1136 18.356,1137 22.75,1138 20.124,1139 37.123,1140 16.884,1141 6856,1142 14634,1143 17.394,1144 24.955,1145 41.281,1146 41.315,1147 41.69,1148 40.905,1149 40.627,1150 54.338,1151 11.457,1152 120.275,1153 37.453,1154 5.448,1155 6.46,1156 6.662,1157 5.229,1158 5.32,1159 7.528,1160 5.335,1161 18.813,1162 5.006,1163 14.193,1164 1.529,1165 1.53,1166 1.544,1167 1.515,1168 1.505,1169 2.013,1170 0.424,1171 4.455,1172 1.387,1173 4.074,1174 4.1,1175 4.121,1176 4.004,1177 8.513,1178 4.008,1179 3.909,1180 3.949,1181 3.884,1182 3.773,1183 7.999,1184 3.79,1185 3.539,1186 3.582,1187 3.617,1188 3.393,1189 7.999,1190 3.396,1191 3.391,1192 3.439,1193 3.413,1194 3.127,1195 7.431,1196 3.181,1197 3.262,1198 3.31,1199 3.241,1200 2.969,1201 5.07,1202 3.019,1203 2.997,1204 3.042,1205 3.203,1206 2.87,1207 4.84,1208 2.873,1209 2.761,1210 2.827,1211 2.735,1212 2.582,1213 4.612,1214 2.577,1215 2.66,1216 2.715,1217 2.559,1218 2.53,1219 4.266,1220 2.542,1221 0.169,1222 0.165,1223 0.264,1224 0.154,1225 0.123,1226 4.575,1227 0.168,1228 4.46,1229 0.142,1230 7.116,1231 0.433,1232 4.168,1233 0.111,1234 3.32,1235 4.528,1236 3.825,1237 11.69,1238 3.006,1239 2.028,1240 2.007,1241 2.082,1242 2.116,1243 1.214,1244 2.11,1245 1.838,1246 1.802,1247 1.928,1248 1.995,1249 0.968,1250 1.973,1251 1.478,1252 1.438,1253 1.625,1254 1.67,1255 0.662,1256 1.646,1257 1.25,1258 1.204,1259 1.374,1260 1.526,1261 0.328,1262 1.496,1263 1.063,1264 1.023,1265 1.158,1266 1.401,1267 0.196,1268 1.316,1269 0.933,1270 0.898,1271 1.069,1272 1.119,1273 0.102,1274 1.118,1275 0.702,1276 0.645,1277 0.918,1278 0.94,1279 0.037,1280 0.95,1281 0.663,1282 0.607,1283 0.891,1284 0.824,1286 0.857,1287 4.007,1289 5.352,1291 6.887,1293 8.508,1295 10.174,1298 6.048,1299 37.963,1305 4.817,1310 -4.591,1314 25.412,1315 69.551,1316 125.119,1317 149.119,1318 170.77,1319 174.77,1320 174.77,1321 54.854,1322 7.089,1323 66.91,1324 66.91,1325 18,1326 12.391,1327 4.248,1328 3.392,1329 41.877,1330 94,1331 70,1332 0.22,1333 158.822,1334 278.03,1335 379.286,1336 11405,1337 11.4,1338 18.027,1339 0.721,1340 0.528,1341 16.027,1342 13.189,1343 11.842,1344 0.439,1345 0.273,1346 6.875,1347 10.933,1348 6.79,1349 5.567,1350 10.92,1351 7.377,1352 11.599,1353 0.297,1354 0.138,1355 10.012,1356 5.387,1357 8.644,1358 0.18,1359 0.074,1360 8.04,1361 3.556,1362 7.206,1363 0.118,1364 0.039,1365 6.997,1366 2.404,1367 5.816,1368 0.078,1369 0.021,1370 5.42,1371 1.553,1372 0.346,1373 78.736,1374 0.24,1375 24.24,1376 0.598,1377 132,1378 630.228,1379 174.855,1380 558.101,1381 715.78,1382 514,1383 153,1384 478.288,1385 185.623,1386 473.096,1387 711.29,1388 444,1389 5.1}
{0 CHEMBL1980562,1 1.843,2 11.714,3 2.742,4 7.52,5 110.13,6 8.591,7 0.516,8 4.015,9 4.129,10 3.839,11 3.579,12 5.051,13 3.542,14 4.588,15 4.749,16 4.13,17 3.979,18 5.87,19 3.927,20 4.878,21 5.106,22 4.082,23 4.094,24 5.876,25 4,26 4.859,27 5.099,28 4.113,29 4.071,30 5.838,31 3.96,32 4.843,33 5.074,34 4.026,35 4.015,36 5.911,37 3.911,38 4.748,39 4.976,40 4.028,41 3.926,42 5.828,43 3.828,44 4.587,45 4.809,46 3.886,47 3.828,48 5.677,49 3.695,50 4.444,51 4.657,52 3.711,53 3.706,54 5.437,55 3.583,56 0.131,57 0.811,58 11.204,59 4.458,60 18.393,61 5.311,62 0.488,63 1.283,64 22.342,65 8.119,66 65.237,67 10.062,68 0.602,69 1.508,70 32.225,71 10.04,72 77.723,73 13.083,74 0.565,75 1.471,76 35.56,77 10.71,78 60.73,79 13.925,80 0.646,81 1.379,82 35.56,83 10.391,84 82.615,85 12.949,86 0.65,87 1.211,88 32.314,89 8.781,90 79.059,91 11.417,92 0.601,93 1.022,94 31.381,95 8.502,96 58.739,97 10.971,98 0.377,99 0.929,100 25.434,101 6.97,102 42.144,103 9.2,104 19,105 45,106 0.31,107 0.648,108 0.787,109 0.824,110 0.851,111 0.851,112 3.374,113 1.098,114 -3.27,115 -3.26,116 -3.13,119 36.7,121 4,124 1,127 2,142 3,143 2,145 1,146 1,147 1,150 1,151 1,161 1,172 5,174 2,175 6,178 5,180 6,183 6,188 3,193 5,196 4,200 11,203 1,205 5,208 2,212 1,213 11,217 1,218 1,221 2,225 1,228 1,229 1,230 2,233 7,237 1,238 2,241 5,243 1,246 9,255 2,258 4,263 4,264 2,269 5,272 4,276 1258,277 18.497,278 18.497,279 18.497,280 18.497,281 18.497,282 16.278,283 15.961,284 10.789,285 19.056,286 15.38,287 15.38,288 15.38,289 15.38,290 15.38,291 11.969,292 22.882,293 5.212,294 16.383,295 3.772,296 1.755,297 0.929,298 0.709,299 0.546,300 0.546,301 4.069,303 1,305 1,306 1,307 713,308 3.464,311 60.658,312 261.106,315 114.772,319 1.857,320 33.592,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 61.333,332 328,333 4.635,334 4.311,335 6.714,336 4.141,337 3.167,338 4.535,339 0.4,340 10.928,341 3.088,342 4.6,343 3.205,344 6.455,345 4.075,346 3.139,347 4.429,349 10.195,350 2.918,351 4.151,352 2.977,353 5.871,354 3.698,355 2.772,356 3.816,358 8.377,359 2.58,360 3.667,361 2.762,362 5.556,363 3.511,364 2.552,365 2.959,367 7.469,368 2.426,369 3.516,370 2.461,371 5.286,372 3.162,373 2.213,374 2.683,376 6.698,377 2.093,378 3.303,379 2.313,380 5.039,381 2.974,382 2.073,383 2.459,385 6.05,386 1.86,387 3.046,388 1.98,389 4.689,390 2.683,391 1.789,392 2.319,394 5.105,395 1.531,396 2.993,397 1.547,398 4.501,399 2.513,400 1.547,401 2.131,403 4.231,404 1.489,405 2.9,406 1.457,407 4.004,408 2.374,409 1.434,410 1.99,412 3.444,413 1.322,414 2.524,415 1.037,416 3.564,417 2,418 1.028,419 1.535,421 2.559,422 1,423 2,424 1,425 3.414,426 1.989,427 1,428 1,430 2.275,431 0.982,432 1.973,433 0.81,434 3.182,435 1.428,436 0.489,437 0.721,439 1.18,440 0.458,441 1.385,442 0.497,443 3.094,444 1.22,445 0.278,446 0.296,448 0.732,449 0.261,450 1,451 0.359,452 2.903,453 0.71,454 -0.232,455 -0.262,457 -0.699,458 -0.211,459 1,460 0.207,461 2.555,462 0.407,463 -0.405,464 -0.509,466 -1.043,467 -0.26,468 13.614,469 0.486,470 0.887,471 0.032,472 36.5,473 1.304,474 17.5,475 0.625,476 19,477 0.679,478 24.912,479 0.89,480 30.786,481 0.628,482 25.408,483 0.907,484 6.461,485 0.231,486 6.91,487 0.247,488 0.138,489 0.061,490 0.294,496 0.636,497 1.482,498 0.702,499 1.178,500 0.661,501 0.924,502 0.532,503 1.184,504 0.87,505 1.141,506 0.426,507 1.019,508 1.153,509 1.033,510 0.853,511 0.818,512 1.078,513 0.936,514 0.793,515 1.028,516 0.878,517 0.985,518 0.67,519 0.936,520 1.227,521 0.958,522 1.027,523 0.936,524 1.285,525 0.946,526 1.28,527 0.919,528 1.049,529 0.835,530 1.313,531 0.93,532 0.921,533 0.788,534 1.398,535 1.021,536 0.762,537 1.085,538 1.102,539 1.081,540 1.312,541 1.122,542 0.919,543 1.153,544 7.5,545 0.186,546 2.444,547 2.132,548 1.463,549 0.653,550 0.838,551 0.299,552 0.317,553 0.161,554 10352,555 33005,556 2.085,557 42.9,559 8,560 1,561 1,562 3,564 8,567 1.708,568 1.942,569 3.494,570 1.023,571 1,572 1,577 90.314,578 1.843,579 3.86,580 4.686,581 4.905,582 5.069,583 5.069,584 2.955,585 4.325,586 4.778,587 3.7,588 1398.59,589 8.293,590 18684.9,592 1,594 1,595 275.121,596 1.572,597 4.728,598 0.242,599 0.009,600 0.054,601 0.052,602 0.037,603 0.018,604 0.025,605 0.01,606 0.013,607 0.007,608 0.466,609 0.33,610 1,611 0.916,612 141.698,613 0.019,614 -0.207,615 0.138,616 -0.075,617 -0.13,618 0.03,619 0.299,620 -0.033,621 -0.043,622 -0.14,623 0.362,624 -0.077,625 -0.219,626 -0.045,627 -0.049,628 0.066,629 -0.154,630 0.013,631 0.008,632 -0.033,633 0.043,634 0.003,635 0.017,636 0.058,637 -0.179,638 0.004,639 -0.073,640 0.028,641 -0.168,642 0.023,643 -0.165,644 0.017,645 -0.025,646 0.064,647 -0.211,648 0.026,649 0.071,650 0.146,651 -0.143,652 -0.046,653 0.004,654 -0.082,655 -0.181,656 -0.128,657 -0.178,658 -0.146,659 -0.157,660 -0.15,661 4.092,662 4.384,663 0.75,664 27.566,665 1.015,666 1.135,667 2.043,668 4.172,669 0.684,670 3.466,671 3.829,672 4.025,673 4.344,674 4.543,675 4.615,676 4.779,677 4.905,678 4.927,679 5.017,680 6.961,681 0.649,682 420.97,683 3.466,684 5.03,685 5.866,686 6.765,687 7.618,688 8.518,689 9.381,690 10.279,691 11.149,692 12.047,693 12.2,695 1,698 1,701 1,703 3,708 2,709 5,710 3,711 1,714 4,716 16,728 1,734 1,735 49,737 18,739 31,741 52,742 18,743 11,748 4,749 5,750 1,757 6,760 6,762 11,763 7,767 2,770 1,772 2,780 1,783 21,784 7,785 3,786 10,787 2,792 6,797 0.75,798 2,809 1,810 1,811 1,815 1,816 3,819 1,843 3,845 1,847 1,848 1,851 28,855 1,858 4,860 2,863 2,873 1,874 4.1,877 2,881 14.417,882 8.826,883 5.875,884 2.901,886 3.334,887 1.432,888 1.004,889 5.454,890 11.051,891 3.738,892 4.391,893 4.867,894 5.507,895 6.019,896 6.367,897 6.817,898 7.267,899 7.477,900 7.852,901 0.875,902 41,903 10.497,905 4.701,906 7.864,907 19.811,909 16.89,911 2.364,912 66.194,915 1,916 211.88,917 84.861,918 101.558,919 39.149,920 44.313,922 5.807,923 79.054,924 295.341,925 101.558,926 7.19,927 10.138,928 59.689,929 126.167,930 34.348,931 55.891,932 188.338,934 211.88,935 180.611,936 44.313,937 44.956,939 117.711,940 138.482,943 58.747,944 53.497,945 74.175,946 39.149,947 211.88,948 145.871,949 124.01,951 5.807,952 211.88,953 25.34,954 53.714,955 51.201,956 133.818,957 211.88,958 145.871,959 124.01,961 0.593,962 0.313,963 0.178,964 0.098,965 23,966 10,967 0.096,968 5,969 1,970 1.095,971 3.992,972 243.461,973 0.095,974 21,975 126.606,980 1,981 19.434,982 7.858,983 4.765,984 1.758,985 129.085,986 9.187,987 13.237,988 3.139,991 2.462,993 51.201,994 481.76,995 41,998 -3.175,1000 22.768,1007 49.734,1008 55.594,1009 0.328,1010 0.687,1011 0.835,1012 0.874,1013 0.903,1014 0.903,1015 4.997,1016 1.547,1017 5.894,1018 5.105,1019 4.511,1020 5.078,1021 0.278,1022 6.723,1023 4.393,1024 6.24,1025 1.434,1026 7.462,1027 4.231,1028 4.29,1029 5.19,1031 7.789,1032 4.081,1033 7.59,1034 1.028,1035 9.13,1036 3.444,1037 6.172,1038 7.403,1039 0.05,1040 10.772,1041 5.953,1042 8.975,1043 1,1044 10.857,1045 2.559,1046 6.698,1047 8.303,1049 12.605,1050 6.404,1051 10.393,1052 0.489,1053 12.62,1054 2.275,1055 8.118,1056 10.071,1057 0.008,1058 15.17,1059 7.806,1060 11.834,1061 0.278,1062 14.409,1063 1.18,1064 8.976,1065 11.307,1067 17.312,1068 8.603,1069 13.293,1070 -0.232,1071 16.216,1072 0.732,1073 10.219,1074 12.91,1075 0.001,1076 19.742,1077 9.818,1078 3.167,1079 -0.405,1080 18.038,1081 -0.699,1082 11.229,1083 14.291,1085 22.014,1086 10.777,1087 3.139,1088 10.928,1089 19.871,1090 -1.043,1091 12.403,1092 15.83,1094 24.4,1095 11.918,1096 2.772,1097 10.195,1098 21.714,1099 4.535,1100 13.482,1101 17.274,1103 26.727,1104 12.953,1105 2.552,1106 8.377,1107 23.564,1108 4.429,1109 14.631,1110 18.787,1112 29.101,1113 14.067,1114 2.213,1115 7.469,1116 25.42,1117 3.816,1118 15.743,1119 20.26,1121 31.452,1122 15.138,1123 2.073,1124 6.698,1125 27.282,1126 2.959,1127 16.884,1128 21.763,1130 33.823,1131 16.243,1132 1.789,1133 6.05,1134 29.148,1135 2.683,1136 18.011,1137 23.25,1139 36.187,1140 17.333,1141 9855,1142 17740,1143 20.572,1144 33.54,1145 46.999,1146 48.32,1147 47.256,1148 47.212,1149 46.965,1150 61.747,1151 0.8,1152 138.484,1153 44.014,1154 5.635,1155 6.311,1156 6.396,1157 5.216,1158 5.167,1159 7.535,1160 0.8,1161 18.109,1162 5.088,1163 14.165,1164 1.516,1165 1.559,1166 1.524,1167 1.523,1168 1.515,1169 1.992,1170 0.026,1171 4.467,1172 1.42,1173 4.127,1174 4.166,1175 4.715,1176 4.018,1177 7.718,1178 4.03,1179 4.003,1180 4.012,1181 4.112,1182 3.945,1183 6.999,1184 3.839,1185 3.837,1186 3.858,1187 3.917,1188 3.716,1189 5.139,1190 3.68,1191 3.722,1192 3.751,1193 3.711,1194 3.598,1195 5.006,1196 3.592,1197 3.367,1198 3.432,1199 3.353,1200 3.218,1201 4.514,1202 3.223,1203 3.199,1204 3.276,1205 3.234,1206 3.009,1207 4.363,1208 3.007,1209 3.111,1210 3.206,1211 3.004,1212 2.941,1213 4.273,1214 2.91,1215 2.876,1216 2.95,1217 2.866,1218 2.666,1219 3.976,1220 2.692,1221 0.15,1222 0.139,1223 0.217,1224 0.134,1225 0.102,1226 4.635,1227 0.146,1228 4.311,1229 0.013,1230 6.714,1231 0.353,1232 4.141,1233 0.1,1234 3.167,1235 4.535,1236 0.4,1237 10.928,1238 3.088,1239 1.917,1240 1.884,1241 2.081,1242 2.068,1243 1.481,1244 2.088,1245 1.885,1246 1.857,1247 1.967,1248 2.006,1249 1.082,1250 1.999,1251 1.732,1252 1.711,1253 1.79,1254 1.917,1255 0.988,1256 1.914,1257 1.656,1258 1.654,1259 1.621,1260 1.801,1261 0.825,1262 1.851,1263 1.383,1264 1.32,1265 1.526,1266 1.616,1267 0.822,1268 1.602,1269 1.168,1270 1.093,1271 1.513,1272 1.4,1273 0.746,1274 1.429,1275 1.153,1276 1.064,1277 1.432,1278 1.376,1279 0.496,1280 1.421,1281 0.998,1282 0.951,1283 1.161,1284 1.152,1285 0.274,1286 1.164,1287 4.143,1289 5.493,1290 2.398,1291 7.015,1292 4.727,1293 8.615,1294 6.843,1295 10.257,1297 1.193,1298 6.238,1303 3.198,1305 6.025,1308 0.163,1314 31.787,1315 90.314,1316 189.141,1317 229.611,1318 240.366,1319 248.366,1320 248.366,1321 53.139,1322 7.716,1323 112.66,1324 121.04,1325 23,1326 12.576,1327 4.248,1328 3.459,1329 42.605,1330 116,1331 110,1332 0.177,1333 201.589,1334 336.64,1335 483.638,1336 24953,1337 2,1338 19.725,1339 0.704,1340 0.603,1341 20.475,1342 16.887,1343 13.371,1344 0.431,1345 0.366,1346 9.151,1347 11.839,1348 8.765,1349 7.228,1350 14.587,1351 11.351,1352 13.275,1353 0.295,1354 0.206,1355 15.066,1356 9.252,1357 9.605,1358 0.175,1359 0.106,1360 10.291,1361 5.818,1362 8.718,1363 0.115,1364 0.061,1365 9.571,1366 4.654,1367 6.901,1368 0.074,1369 0.035,1370 7.497,1371 3.214,1372 0.282,1373 96.184,1374 0.22,1375 26.921,1376 0.476,1377 152,1378 458.469,1379 214.221,1380 495.407,1381 662.1,1382 456,1383 176,1384 445.698,1385 238.303,1386 491.018,1387 709.56,1388 459,1389 6.7}
{0 CHEMBL1980704,1 1.549,2 9.68,3 4.693,4 22.024,5 101.199,6 8.636,7 0.862,8 3.834,9 3.942,10 3.601,11 3.486,12 4.953,13 3.449,14 4.33,15 4.474,16 4,17 3.88,18 5.393,19 3.832,20 4.49,21 4.665,22 4.042,23 3.988,24 5.5,25 3.904,26 4.54,27 4.744,28 3.955,29 3.956,30 5.497,31 3.842,32 4.441,33 4.652,34 3.805,35 3.831,36 5.419,37 3.687,38 4.336,39 4.568,40 3.635,41 3.668,42 5.269,43 3.506,44 4.08,45 4.295,46 3.365,47 3.44,48 5.017,49 3.338,50 3.971,51 4.162,52 3.369,53 3.367,54 5.027,55 3.334,56 0.026,57 0.637,58 6.491,59 3.298,60 6.663,61 3.905,62 0.143,63 1.082,64 15.058,65 5.886,66 10.801,67 6.871,68 0.129,69 1.223,70 17.344,71 6.922,72 15.919,73 8.267,74 0.163,75 1.274,76 20.686,77 7.853,78 17.754,79 9.239,80 0.199,81 1.172,82 20.118,83 7.529,84 22.446,85 8.54,86 0.223,87 1.06,88 21.676,89 7.544,90 21.273,91 8.461,92 0.121,93 0.803,94 18.026,95 6.04,96 12.813,97 6.736,98 0.07,99 0.712,100 8.805,101 3.524,102 11.939,103 4.453,104 2,105 42,106 0.266,107 0.584,108 0.753,109 0.865,110 0.885,111 0.885,112 3.268,113 0.938,114 -5.35,115 -5.23,116 -4.89,119 47.5,120 1,125 1,142 8,143 2,146 1,151 2,152 1,161 2,162 1,166 1,172 9,174 3,175 9,183 9,188 9,196 6,200 10,208 8,212 2,213 5,221 6,224 3,225 2,233 4,237 1,238 5,250 11,264 7,272 3,276 851,277 17.447,278 17.447,279 17.447,280 17.447,281 17.447,282 14.583,283 7.704,284 10.222,285 17.957,286 14.364,287 14.364,288 14.364,289 14.364,290 14.364,291 10.027,292 5.981,293 4.874,294 15.257,295 3.773,296 1.921,297 0.938,298 0.288,299 0.169,300 0.169,301 3.986,305 1,306 1,307 554,308 2.55,311 84.162,312 157.443,315 159.053,316 82.283,319 1.398,320 10.472,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 52.5,332 242,333 4.773,334 4.463,335 6.971,336 4.24,337 3.298,338 4.859,339 3.272,340 11.845,341 3.129,342 4.458,343 3.307,344 6.243,345 3.912,346 2.982,347 4.401,349 9.473,350 2.77,351 4.097,352 3.05,353 6.144,354 3.6,355 2.659,356 3.816,358 8.843,359 2.483,360 3.594,361 2.783,362 5.302,363 3.125,364 2.178,365 3.071,367 6.502,368 2.084,369 3.495,370 2.331,371 5.167,372 3.083,373 2.113,374 2.847,376 6.263,377 2.027,378 3.154,379 2.196,380 4.966,381 2.665,382 1.77,383 2.398,385 5.393,386 1.562,387 3.032,388 1.855,389 4.414,390 2.475,391 1.532,392 2.298,394 4.312,395 1.442,396 2.957,397 1.532,398 3.948,399 2.445,400 1.461,401 2.183,403 3.261,404 1.434,405 2.852,406 1.467,407 3.695,408 2.359,409 1.381,410 2.014,412 2.976,413 1.346,414 2.47,415 1.354,416 3.608,417 2.017,418 1.033,419 1.458,421 2.553,422 1.012,423 2.335,424 1.121,425 3.539,426 1.808,427 0.846,428 1.254,430 2.108,431 0.81,432 1.847,433 0.867,434 3.221,435 1.405,436 0.566,437 0.674,439 1.419,440 0.464,441 1.793,442 0.54,443 3,444 1.301,445 0.347,446 0.521,448 0.86,449 0.331,450 1.12,451 0.347,452 2.707,453 0.728,454 -0.222,455 -0.282,457 -0.575,458 -0.207,459 0.999,460 -0.264,461 2.545,462 0.481,463 -0.494,464 -0.728,466 -1.338,467 -0.479,468 12.333,469 0.493,470 0.551,471 0.022,472 37.5,473 1.5,474 20.5,475 0.82,476 17,477 0.68,478 17.508,479 0.7,480 24.267,481 0.607,482 23.839,483 0.954,484 7.156,485 0.286,486 5.137,487 0.205,488 0.041,490 0.349,496 0.764,497 1.166,498 0.661,499 0.862,500 0.726,501 0.808,502 0.776,503 1.152,504 0.922,505 1.063,506 0.698,507 0.874,508 1.09,509 1.094,510 0.903,511 0.96,512 1.034,513 0.941,514 1.222,515 1.056,516 1.067,517 1.007,518 1.057,519 1.001,520 1.241,521 0.994,522 1.302,523 1.118,524 1.253,525 1.106,526 1.11,527 0.949,528 1.465,529 1.215,530 1.251,531 1.064,532 1.01,533 1.155,534 1.515,535 1.357,536 0.853,537 0.978,538 1.347,539 1.195,540 0.669,541 0.797,542 1.085,543 0.903,544 4,545 0.093,546 2.667,547 2.076,548 1.485,549 0.476,550 0.382,551 0.196,552 0.226,553 0.142,554 7933,555 19547,556 2.251,557 37.5,558 3,559 10,560 2,567 1.678,568 2.174,569 3.267,570 -0.751,577 61.954,578 1.549,579 3.401,580 4.384,581 5.034,582 5.153,583 5.153,584 2.661,585 4.214,586 4.62,587 3.424,588 1027.18,589 7.976,590 12266.9,592 1,595 212.877,596 1.159,597 4.603,598 0.138,599 0.006,600 0.063,601 0.051,602 0.041,603 0.016,604 0.016,605 0.009,606 0.009,607 0.006,608 0.356,609 0.33,610 0.88,611 0.372,612 119.891,613 0.126,614 -0.134,615 0.084,616 -0.023,617 0.034,618 -0.006,619 0.259,620 -0.098,621 0.034,622 -0.112,623 0.11,624 -0.014,625 -0.097,626 -0.079,627 0.044,628 -0.007,629 -0.114,630 -0.032,631 -0.165,632 -0.044,633 -0.013,634 0.005,635 -0.08,636 -0.042,637 -0.111,638 0.045,639 -0.12,640 -0.035,641 -0.113,642 -0.133,643 0.055,644 0.092,645 -0.098,646 -0.019,647 -0.044,648 -0.03,649 0.043,650 -0.141,651 -0.198,652 -0.179,653 0.186,654 0.051,655 -0.18,656 -0.182,657 -0.042,658 -0.07,659 0.007,660 -0.052,661 0.784,662 1.653,663 0.88,664 19.085,665 1,666 1.112,667 4.118,668 16.958,669 0.737,670 3.401,671 3.761,672 4.111,673 4.454,674 4.682,675 4.771,676 4.913,677 5.063,678 5.118,679 5.215,680 5.934,681 0.698,682 345.46,683 3.401,684 4.963,685 5.849,686 6.756,687 7.658,688 8.569,689 9.476,690 10.39,691 11.299,692 12.213,693 12.5,701 2,703 3,708 4,709 10,710 3,714 3,716 25,735 40,737 25,738 1,739 29,741 44,742 19,743 17,744 2,745 4,748 5,749 9,754 1,762 17,763 2,780 1,783 15,784 3,786 6,787 1,789 1,792 5,797 0.4,809 2,815 2,816 3,819 2,820 1,843 2,844 1,845 1,847 1,851 25,858 1,862 1,871 1,881 11.5,882 7.75,883 5.333,884 2.365,886 5.182,887 1.644,888 1.082,889 3.42,890 13.235,891 3.75,892 4.483,893 5.218,894 5.939,895 6.517,896 6.922,897 7.39,898 7.855,899 8.129,900 8.451,901 1,902 41,903 9.186,905 3.972,906 7.5,907 17.902,909 15.155,911 2,912 50,915 1,916 176.567,917 150.632,918 52.685,922 32.22,923 118.413,924 176.567,925 52.685,926 8.825,927 0.9,928 93.905,929 53.542,930 11.781,931 25.686,932 185.244,934 176.567,935 171.097,937 32.22,939 176.567,943 19.178,944 101.807,945 50.112,946 32.22,947 176.567,948 52.685,949 150.632,952 176.567,953 47.902,954 105.303,956 50.112,957 176.567,958 52.685,959 150.632,961 0.587,962 0.357,963 0.21,964 0.113,965 24,966 9,967 0.068,968 3,969 3,970 1.273,971 3.819,972 222.965,973 0.273,974 22,975 116.096,977 1,981 14.793,982 5.78,983 2.467,984 4.211,985 50.112,986 20.557,987 13.401,991 3.139,994 379.883,995 41.5,1007 40.003,1008 44.488,1009 0.291,1010 0.639,1011 0.824,1012 0.946,1013 0.968,1014 0.968,1015 4.978,1016 1.461,1017 5.838,1018 4.312,1019 4.443,1020 5.17,1021 3.11,1022 6.696,1023 4.327,1024 6.227,1025 1.381,1026 7.416,1027 3.261,1028 4.007,1029 5.094,1031 7.664,1032 3.821,1033 7.566,1034 1.033,1035 9.098,1036 2.976,1037 6.071,1038 7.569,1039 5.44,1040 10.825,1041 5.837,1042 8.949,1043 0.846,1044 10.842,1045 2.553,1046 6.509,1047 8.389,1049 12.672,1050 6.197,1051 10.368,1052 0.566,1053 12.627,1054 2.108,1055 8.013,1056 10.294,1057 7.807,1058 15.342,1059 7.66,1060 11.813,1061 0.347,1062 14.442,1063 1.419,1064 8.854,1065 11.525,1067 17.546,1068 8.428,1069 13.278,1070 -0.222,1071 16.278,1072 0.86,1073 10.141,1074 13.209,1075 10.177,1076 20.064,1077 9.672,1078 3.298,1079 -0.494,1080 18.13,1081 -0.575,1082 11.166,1083 14.625,1085 22.416,1086 10.631,1087 2.982,1088 11.845,1089 19.995,1090 -1.338,1091 12.371,1092 16.225,1093 12.548,1094 24.888,1095 11.79,1096 2.659,1097 9.473,1098 21.871,1099 4.859,1100 13.477,1101 17.721,1103 27.302,1104 12.837,1105 2.178,1106 8.843,1107 23.755,1108 4.401,1109 14.656,1110 19.292,1111 14.919,1112 29.764,1113 13.967,1114 2.113,1115 6.502,1116 25.646,1117 3.816,1118 15.799,1119 20.825,1121 32.206,1122 15.054,1123 1.77,1124 6.263,1125 27.544,1126 3.071,1127 16.971,1128 22.388,1129 17.29,1130 34.668,1131 16.177,1132 1.532,1133 5.393,1134 29.446,1135 2.847,1136 18.131,1137 23.937,1139 37.124,1140 17.285,1141 7164,1142 11414,1143 20.285,1144 29.483,1145 44.509,1146 47.416,1147 45.127,1148 44.307,1149 44.332,1150 63.591,1151 6.545,1152 131.618,1153 41.788,1154 5.617,1155 6.463,1156 6.654,1157 5.403,1158 5.298,1159 7.859,1160 6.545,1161 19.394,1162 5.129,1163 6.296,1164 1.535,1165 1.635,1166 1.556,1167 1.528,1168 1.529,1169 2.193,1170 0.226,1171 4.539,1172 1.441,1173 4.2,1174 4.239,1175 4.235,1176 4.092,1177 5.166,1178 4.102,1179 4.097,1180 4.148,1181 4.067,1182 3.946,1183 5.043,1184 3.967,1185 3.669,1186 3.715,1187 3.784,1188 3.56,1189 4.702,1190 3.548,1191 3.457,1192 3.501,1193 3.477,1194 3.397,1195 4.32,1196 3.364,1197 3.375,1198 3.438,1199 3.268,1200 3.242,1201 4.198,1202 3.243,1203 2.978,1204 3.047,1205 3.102,1206 2.893,1207 3.819,1208 2.823,1209 2.905,1210 2.969,1211 2.795,1212 2.769,1213 3.793,1214 2.765,1215 2.84,1216 2.915,1217 2.729,1218 2.692,1219 3.64,1220 2.684,1221 0.165,1222 0.154,1223 0.24,1224 0.146,1225 0.114,1226 4.773,1227 0.168,1228 4.463,1229 0.113,1230 6.971,1231 0.408,1232 4.24,1233 0.108,1234 3.298,1235 4.859,1236 3.272,1237 11.845,1238 3.129,1239 2.084,1240 2.059,1241 2.15,1242 2.18,1243 1.324,1244 2.173,1245 1.892,1246 1.848,1247 1.995,1248 2.052,1249 1.07,1250 2.037,1251 1.564,1252 1.531,1253 1.716,1254 1.689,1255 0.927,1256 1.708,1257 1.524,1258 1.481,1259 1.659,1260 1.66,1261 0.78,1262 1.676,1263 1.286,1264 1.23,1265 1.468,1266 1.493,1267 0.587,1268 1.495,1269 1.097,1270 1.027,1271 1.222,1272 1.377,1273 0.34,1274 1.343,1275 0.946,1276 0.88,1277 1.173,1278 1.178,1279 0.248,1280 1.181,1281 0.878,1282 0.809,1283 1.125,1284 1.064,1285 0.186,1286 1.099,1287 4.078,1289 5.425,1290 3.045,1291 6.973,1292 5.416,1293 8.617,1294 7.526,1295 10.315,1297 2.112,1303 0.755,1307 1.659,1314 27.928,1315 61.954,1316 136.048,1317 175.367,1318 201.367,1319 206.122,1320 206.122,1321 24.434,1322 8.053,1323 47.49,1324 72.79,1325 28,1326 12.727,1327 4.7,1328 3.755,1329 32.187,1330 89,1331 79,1332 0.176,1333 171.886,1334 268.07,1335 411.163,1336 38190,1338 16.803,1339 0.672,1340 0.578,1341 17.156,1342 14.441,1343 12.293,1344 0.424,1345 0.313,1346 8.08,1347 11.486,1348 7.776,1349 6.447,1350 12.747,1351 9.069,1352 11.219,1353 0.267,1354 0.165,1355 11.77,1356 6.95,1357 10.056,1358 0.168,1359 0.088,1360 10.767,1361 5.299,1362 9.077,1363 0.107,1364 0.047,1365 9.831,1366 3.999,1367 7.462,1368 0.07,1369 0.027,1370 8.323,1371 2.891,1372 0.275,1373 80.69,1374 0.222,1375 24.125,1376 0.487,1377 142,1378 369.086,1379 176.552,1380 388.839,1381 557.85,1382 368,1383 173,1384 428.083,1385 206.589,1386 446.728,1387 661.32,1388 421,1389 5.1}
{0 CHEMBL1980715,1 1.405,2 14.926,3 5.1,4 26.011,5 112.982,6 5.978,7 0.222,8 4.175,9 4.344,10 3.501,11 3.597,12 5.198,13 3.54,14 4.708,15 4.934,16 3.743,17 3.949,18 5.677,19 3.828,20 5.004,21 5.297,22 3.731,23 4.059,24 5.816,25 3.908,26 4.989,27 5.28,28 3.742,29 4.062,30 5.764,31 3.902,32 4.982,33 5.262,34 3.752,35 4.06,36 5.866,37 3.903,38 5.013,39 5.307,40 3.673,41 4.025,42 5.85,43 3.852,44 4.941,45 5.242,46 3.547,47 3.945,48 5.77,49 3.767,50 4.905,51 5.215,52 3.492,53 3.883,54 5.776,55 3.695,56 0.108,57 0.876,58 15.844,59 5.394,60 14.892,61 8.401,62 0.305,63 1.241,64 26.141,65 9.407,66 40.819,67 13.926,68 0.414,69 1.396,70 34.224,71 10.248,72 45.262,73 16.579,74 0.293,75 1.383,76 33.119,77 10.947,78 34.701,79 17.114,80 0.44,81 1.401,82 33.556,83 10.423,84 49.502,85 16.727,86 0.442,87 1.359,88 34.358,89 10.574,90 49.858,91 16.722,92 0.442,93 1.261,94 32.024,95 9.219,96 47.635,97 15.268,98 0.412,99 1.186,100 30.548,101 9.244,102 58.802,103 14.794,104 54,105 32,106 0.231,107 0.499,108 0.611,109 0.701,110 0.779,111 0.834,112 3.338,113 1.111,114 -5.46,115 -5.34,116 -4.99,119 31.7,120 1,121 10,125 1,142 3,144 3,159 2,163 3,164 3,165 3,172 11,175 3,177 2,178 2,179 4,180 2,182 4,183 10,186 1,187 1,188 4,193 1,196 9,200 2,203 1,205 6,208 8,210 4,213 2,215 2,216 3,218 4,221 9,223 3,225 2,227 1,228 2,229 2,230 2,232 2,233 8,235 2,238 2,240 1,241 2,243 3,246 7,248 2,250 2,254 4,255 3,257 6,258 6,260 2,262 2,264 2,269 5,272 5,274 3,276 1434,277 18.01,278 18.01,279 18.01,280 18.01,281 18.01,282 16.766,283 18.012,284 11.793,285 18.412,286 13.386,287 13.386,288 13.386,289 13.386,290 13.386,291 11.541,292 26.48,293 5.71,294 14.026,295 4.572,296 2.94,297 2.257,298 1.711,299 1.235,300 0.901,301 3.992,305 1,307 792,308 4.637,312 111.109,319 2.236,320 21.037,323 0.5,324 0.67,325 0.67,326 0.9,327 1,328 0.67,329 0.5,330 0.7,331 58,332 403,333 4.312,334 3.212,335 6.198,336 3.889,337 2.934,338 3.965,339 1.2,340 9.297,341 2.8,342 3.752,343 2.858,344 5.362,345 3.359,346 2.432,347 3.057,348 1.119,349 6.996,350 2.253,351 3.538,352 2.704,353 4.768,354 3.042,355 2.137,356 2.762,357 0.86,358 5.368,359 1.95,360 3.274,361 2.261,362 4.423,363 2.939,364 1.946,365 2.454,366 0.135,367 4.556,368 1.918,369 2.944,370 1.96,371 4.137,372 2.807,373 1.867,374 1.949,375 0.129,376 3.892,377 1.77,378 2.82,379 1.866,380 3.936,381 2.739,382 1.757,383 1.893,385 3.732,386 1.699,387 2.75,388 1.689,389 3.76,390 2.505,391 1.533,392 1.767,394 3.451,395 1.49,396 2.512,397 1.478,398 3.501,399 2.363,400 1.391,401 1.512,403 2.91,404 1.346,405 2.191,406 1.247,407 3.2,408 2.124,409 1.143,410 1.183,412 2.233,413 1.118,414 1.839,415 0.9,416 2.903,417 1.749,418 0.783,419 0.813,421 1.51,422 0.751,423 1.533,424 0.571,425 2.633,426 1.391,427 0.428,428 0.456,430 0.846,431 0.41,432 1.231,433 0.311,434 2.605,435 1.094,436 0.128,437 0.137,439 0.251,440 0.123,441 1.116,442 0.189,443 2.322,444 0.753,445 -0.177,446 -0.212,448 -0.41,449 -0.165,450 0.865,451 -0.08,452 2.156,453 0.749,454 -0.216,455 -0.227,457 -0.481,458 -0.208,459 0.63,460 -0.309,461 1.943,462 0.386,463 -0.583,464 -0.614,466 -1.152,467 -0.563,468 12.733,469 0.472,470 0.476,471 0.018,472 26.5,473 0.981,474 10.5,475 0.389,476 16,477 0.593,478 27.878,479 1.033,480 32.867,481 0.522,482 17.951,483 0.665,484 4.539,485 0.168,486 8.485,487 0.314,488 0.165,490 0.196,496 1.183,497 1.441,498 1.124,499 1.284,500 1.263,501 1.2,502 0.693,503 1.234,504 1.032,505 1.379,506 0.336,507 1.28,508 1.146,509 0.933,510 0.99,511 0.943,512 0.897,513 0.947,514 0.823,515 1.074,516 0.826,517 1.044,518 0.49,519 0.963,520 0.821,521 1.144,522 0.979,523 1.129,524 0.813,525 1.085,526 1.064,527 1.019,528 0.978,529 1.059,530 0.767,531 1.032,532 1.028,533 1.007,534 1.064,535 1.028,536 0.873,537 1.045,538 0.942,539 0.925,540 0.94,541 0.979,542 0.666,543 0.974,544 4.5,545 0.087,546 1.333,547 1.063,548 0.933,549 0.66,550 0.465,551 0.293,552 0.132,553 0.106,554 9385,555 19454,556 1.896,557 57.1,558 21,559 5,562 8,564 2,567 1.694,568 1.78,569 3.803,570 5.224,577 88.503,578 1.405,579 3.037,580 3.72,581 4.267,582 4.743,583 5.076,584 3.264,585 4.607,586 4.716,587 4.019,588 1410.71,589 8.158,590 20606.3,595 376.569,596 1.321,597 4.685,598 0.167,599 0.005,600 0.042,601 0.034,602 0.029,603 0.021,604 0.017,605 0.012,606 0.006,607 0.006,608 0.339,610 0.75,611 3.092,612 140.545,613 -0.134,614 0.024,615 -0.015,616 0.03,617 -0.161,618 0.029,619 0.265,620 -0.019,621 -0.007,622 -0.173,623 0.383,624 -0.138,625 -0.04,626 0.072,627 0.013,628 0.06,629 -0.027,630 0.049,631 0.078,632 -0.096,633 0.135,634 0.016,635 0.155,636 0.072,637 0.169,638 -0.107,639 0.014,640 -0.078,641 0.1,642 -0.054,643 0.066,644 -0.054,645 0.013,646 -0.053,647 0.096,648 -0.038,649 0.023,650 -0.02,651 -0.07,652 -0.055,653 0.018,654 -0.069,655 0.088,656 0.008,657 0.033,658 -0.01,659 0.251,660 -0.004,661 1.815,662 2.339,663 0.222,664 36.872,665 0.987,666 1.15,667 4.232,668 17.909,669 0.602,670 3.332,671 3.497,672 3.555,673 3.738,674 3.871,675 3.892,676 3.892,677 3.871,678 3.584,679 3.555,680 8.523,681 0.552,682 376.62,683 3.332,684 4.779,685 5.525,686 6.326,687 7.104,688 7.921,689 8.719,690 9.547,691 10.359,692 11.194,693 9.5,694 3,698 1,702 2,709 3,714 3,716 6,728 1,733 1,735 63,737 8,738 1,739 27,741 63,742 20,743 6,744 3,745 3,746 1,748 1,749 1,752 2,754 1,760 10,762 8,763 12,767 2,771 1,775 1,776 2,783 36,784 7,785 8,786 7,792 6,797 1,798 1,816 1,836 3,843 1,847 1,851 27,852 3,858 11,860 1,861 1,874 1.6,879 1,881 15.167,882 10.617,883 6.444,884 4.169,886 1.502,887 1.234,888 0.922,889 12.52,890 7.93,891 3.497,892 3.882,893 4.193,894 4.704,895 5.17,896 5.327,897 5.535,898 5.678,899 5.266,900 5.312,901 0.9,902 31,903 9.948,905 3.836,906 7.679,907 19.374,909 14.768,911 2.179,912 58.833,915 1,916 329.591,917 81.747,918 165.16,920 11,923 81.747,924 340.591,925 165.16,926 8.825,927 128.629,928 28.429,929 18.011,930 70.214,931 3.798,932 329.591,934 329.591,935 246.907,936 11,939 306.049,940 34.542,943 185.912,944 42.984,945 18.011,947 329.591,948 176.16,949 81.747,952 329.591,953 44.493,954 37.254,955 18.011,956 158.149,957 329.591,958 176.16,959 81.747,961 0.535,962 0.265,963 0.144,964 0.082,965 8,966 5,967 0.238,968 15,970 1,971 4.052,972 184.387,974 6,975 126.382,981 23.416,982 14.436,983 11.644,985 176.16,986 5.263,991 1.774,993 148.374,994 587.497,995 32,999 7.295,1003 4.093,1004 -0.191,1007 62.192,1008 72.427,1009 0.235,1010 0.508,1011 0.622,1012 0.714,1013 0.793,1014 0.849,1015 4.659,1016 1.391,1017 5.425,1018 3.451,1019 4.174,1020 4.564,1021 1.951,1022 6.052,1023 4.082,1024 5.769,1025 1.143,1026 6.86,1027 2.91,1028 3.434,1029 4.182,1030 1.004,1031 6.605,1032 3.233,1033 7.002,1034 0.783,1035 8.398,1036 2.233,1037 5.565,1038 6.52,1039 1.927,1040 9.689,1041 5.373,1042 8.27,1043 0.428,1044 10.004,1045 1.51,1046 5.638,1047 6.982,1048 1.455,1049 11.179,1050 5.326,1051 9.576,1052 0.128,1053 11.659,1054 0.846,1055 7.22,1056 8.826,1057 2.026,1058 13.749,1059 6.926,1060 10.909,1061 -0.177,1062 13.35,1063 0.251,1064 7.751,1065 9.71,1066 1.8,1067 15.652,1068 7.35,1069 12.263,1070 -0.216,1071 15.069,1072 -0.41,1073 9.062,1074 11.332,1075 2.197,1076 18.019,1077 8.667,1078 2.934,1079 -0.583,1080 16.809,1081 -0.481,1082 9.853,1083 12.44,1084 2.119,1085 20.103,1086 9.371,1087 2.432,1088 9.297,1089 18.566,1090 -1.152,1091 11.03,1092 13.95,1093 2.419,1094 22.388,1095 10.539,1096 2.137,1097 6.996,1098 20.336,1099 3.965,1100 11.961,1101 15.178,1102 2.432,1103 24.552,1104 11.4,1105 1.946,1106 5.368,1107 22.116,1108 3.057,1109 13.076,1110 16.628,1111 2.676,1112 26.803,1113 12.492,1114 1.867,1115 4.556,1116 23.904,1117 2.762,1118 14.078,1119 17.923,1120 2.747,1121 29.002,1122 13.436,1123 1.757,1124 3.892,1125 25.698,1126 2.454,1127 15.166,1128 19.341,1129 2.958,1130 31.24,1131 14.493,1132 1.533,1133 3.732,1134 27.498,1135 1.949,1136 16.204,1137 20.673,1138 3.065,1139 33.455,1140 15.479,1141 9880,1142 14659,1143 17.277,1144 37.91,1145 36.946,1146 36.849,1147 37.962,1148 37.068,1149 36.956,1150 43.897,1151 6.886,1152 90.086,1153 35.256,1154 5.275,1155 5.212,1156 6.184,1157 4.942,1158 4.934,1159 6.965,1160 2.129,1161 15.634,1162 4.8,1163 16.05,1164 1.368,1165 1.365,1166 1.406,1167 1.373,1168 1.369,1169 1.626,1170 0.255,1171 3.337,1172 1.306,1173 3.956,1174 3.99,1175 3.908,1176 3.851,1177 5.886,1178 3.86,1179 3.813,1180 3.876,1181 3.65,1182 3.699,1183 5.332,1184 3.678,1185 3.689,1186 3.757,1187 3.517,1188 3.559,1189 4.838,1190 3.538,1191 3.534,1192 3.62,1193 3.444,1194 3.372,1195 4.785,1196 3.352,1197 3.507,1198 3.594,1199 3.349,1200 3.212,1201 4.659,1202 3.259,1203 3.41,1204 3.504,1205 3.292,1206 3.136,1207 4.367,1208 3.16,1209 3.294,1210 3.379,1211 3.086,1212 3.094,1213 4.232,1214 3.091,1215 3.062,1216 3.151,1217 2.852,1218 2.849,1219 4.093,1220 2.833,1221 0.16,1222 0.119,1223 0.23,1224 0.144,1225 0.109,1226 4.312,1227 0.147,1228 3.212,1229 0.044,1230 6.198,1231 0.344,1232 3.889,1233 0.104,1234 2.934,1235 3.965,1236 1.2,1237 9.297,1238 2.8,1239 1.894,1240 1.869,1241 2.074,1242 2.025,1243 1.436,1244 2.024,1245 1.823,1246 1.762,1247 1.996,1248 1.974,1249 1.322,1250 2,1251 1.714,1252 1.65,1253 1.962,1254 1.883,1255 1.15,1256 1.918,1257 1.545,1258 1.474,1259 1.839,1260 1.745,1261 1.066,1262 1.777,1263 1.381,1264 1.293,1265 1.659,1266 1.723,1267 0.927,1268 1.686,1269 1.329,1270 1.246,1271 1.546,1272 1.625,1273 0.699,1274 1.612,1275 1.278,1276 1.184,1277 1.489,1278 1.537,1279 0.475,1280 1.569,1281 1.075,1282 0.984,1283 1.45,1284 1.333,1285 0.285,1286 1.377,1287 4.007,1289 5.209,1291 6.572,1293 8.032,1295 9.56,1297 2.25,1301 16.329,1303 13.469,1305 2.712,1306 5.839,1314 34.745,1315 88.503,1316 191.337,1317 234.356,1318 268.794,1319 298.794,1320 319.814,1321 78.1,1322 6.428,1323 135.53,1324 135.53,1325 6,1326 11.77,1327 3.17,1328 2.585,1329 82.298,1330 134,1331 169,1332 0.287,1333 225.349,1334 392.89,1335 541.611,1336 5089,1338 19.908,1339 0.737,1340 0.615,1341 19.908,1342 16.598,1343 13.024,1344 0.482,1345 0.37,1346 9.899,1347 12.597,1348 9.676,1349 8.226,1350 13.024,1351 10.001,1352 10.783,1353 0.337,1354 0.212,1355 10.783,1356 6.788,1357 7.006,1358 0.206,1359 0.125,1360 7.006,1361 4.243,1362 5.65,1363 0.138,1364 0.07,1365 5.65,1366 2.871,1367 4.227,1368 0.09,1369 0.04,1370 4.227,1371 1.863,1372 0.477,1373 81.024,1374 0.241,1375 27.27,1376 0.716,1377 118,1378 295.983,1379 130.091,1380 293.964,1381 394.66,1382 272,1383 125,1384 289.187,1385 134.871,1386 293.488,1387 415.34,1388 275,1389 5.4}
{0 CHEMBL1980802,1 1.93,2 9.259,3 1.036,4 1.074,5 91.857,6 9.556,7 0.414,8 3.873,9 3.958,10 3.612,11 3.32,12 5.194,13 3.378,14 4.361,15 4.471,16 3.995,17 3.673,18 5.704,19 3.719,20 4.673,21 4.815,22 4.137,23 3.819,24 6.115,25 3.855,26 4.728,27 4.892,28 4.124,29 3.825,30 6.118,31 3.851,32 4.743,33 4.91,34 4.156,35 3.88,36 6.108,37 3.902,38 4.772,39 4.928,40 4.279,41 3.966,42 6.219,43 3.99,44 4.829,45 5,46 4.159,47 3.94,48 6.265,49 3.943,50 4.657,51 4.858,52 3.926,53 3.651,54 6.212,55 3.62,56 0.304,57 0.613,58 5.136,59 3.189,60 34.809,61 2.983,62 0.648,63 0.9,64 10.668,65 5.352,66 61.921,67 5.273,68 1.211,69 1.085,70 21.351,71 7.167,72 130.267,73 7.313,74 1.26,75 1.117,76 23.693,77 7.665,78 120.304,79 8.399,80 1.245,81 1.184,82 23.645,83 7.62,84 112.076,85 8.387,86 1.062,87 1.276,88 20.523,89 7.941,90 114.085,91 8.987,92 1.188,93 1.247,94 26.214,95 8.482,96 145.941,97 9.357,98 1.217,99 0.934,100 25.793,101 7.208,102 175.032,103 8.433,104 27,105 40,106 0.339,107 0.75,108 0.834,109 0.871,110 0.897,111 0.914,112 3.341,113 0.838,114 -1.27,115 -1.36,116 -1.42,119 39,125 2,127 2,142 3,144 3,145 1,146 1,147 2,158 1,159 1,172 1,174 1,175 1,178 3,179 1,180 1,183 3,187 3,188 2,191 4,192 1,193 1,196 2,199 3,200 1,203 4,205 3,212 3,213 2,216 3,218 2,224 1,225 3,228 4,229 1,230 5,237 1,238 3,241 2,242 2,243 2,249 2,250 5,253 3,254 1,255 1,263 1,264 2,267 1,269 1,276 541,277 17.972,278 17.972,279 17.972,280 17.972,281 17.972,282 16.225,283 24.489,284 10.478,285 18.625,286 14.22,287 14.22,288 14.22,289 14.22,290 14.22,291 11.424,292 32.673,293 4.901,294 15.4,295 3.427,296 1.08,297 0.604,298 0.39,299 0.244,300 0.146,301 4.021,302 1,305 1,306 1,307 529,308 2.345,312 101.29,319 1.215,320 47.584,323 1,324 0.67,325 1,326 0.8,328 0.83,329 0.5,330 0.69,331 61.833,332 250,333 4.323,334 4.073,335 6.199,336 3.892,337 2.952,338 3.963,339 2.035,340 9.287,341 2.77,342 4.272,343 3.575,344 6.173,345 3.828,346 2.893,347 3.91,348 1.656,349 9.179,350 2.694,351 3.786,352 3.169,353 5.867,354 3.631,355 2.693,356 3.057,357 0.86,358 7.923,359 2.512,360 3.703,361 3.1,362 5.412,363 3.38,364 2.428,365 2.814,366 0.86,367 7.121,368 2.3,369 3.501,370 2.935,371 4.96,372 3.003,373 2.13,374 2.69,375 0.247,376 5.828,377 1.88,378 3.393,379 2.723,380 4.833,381 2.908,382 1.96,383 2.556,385 5.486,386 1.74,387 3.196,388 2.359,389 4.437,390 2.581,391 1.688,392 2.154,394 4.408,395 1.496,396 2.837,397 2.071,398 4.245,399 2.407,400 1.453,401 1.947,403 3.885,404 1.378,405 2.768,406 1.896,407 3.979,408 2.23,409 1.302,410 1.452,412 3.325,413 1.193,414 2.455,415 1.614,416 3.222,417 1.624,418 0.728,419 1.172,421 1.616,422 0.647,423 1.848,424 1.155,425 3.122,426 1.531,427 0.648,428 0.759,430 1.321,431 0.56,432 1.59,433 0.957,434 2.836,435 1.182,436 0.322,437 0.381,439 0.642,440 0.271,441 1.305,442 0.745,443 2.751,444 0.92,445 0.022,446 0.026,448 0.055,449 0.02,450 1.164,451 0.526,452 2.403,453 0.758,454 -0.163,455 -0.214,457 -0.336,458 -0.133,459 0.944,460 0.412,461 2.338,462 0.493,463 -0.379,464 -0.497,466 -0.9,467 -0.296,468 12.381,469 0.459,470 0.715,471 0.026,472 37.25,473 1.38,474 18.5,475 0.685,476 18.75,477 0.694,478 20.835,479 0.772,480 29.619,481 0.722,482 30.333,483 1.123,484 7.431,485 0.275,486 5.526,487 0.205,488 0.171,490 0.363,496 0.989,497 1.388,498 0.598,499 0.987,500 0.817,501 0.809,502 0.999,503 1.184,504 0.729,505 1.011,506 0.764,507 0.946,508 1.124,509 0.958,510 1.011,511 0.94,512 0.979,513 0.959,514 1.076,515 0.968,516 0.867,517 0.92,518 0.882,519 0.94,520 0.984,521 0.942,522 0.851,523 0.884,524 0.921,525 0.912,526 0.776,527 1.133,528 0.729,529 1.099,530 0.906,531 1.041,532 1.092,533 1.075,534 1.116,535 1.128,536 1.17,537 1.144,538 1.014,539 0.841,540 1.098,541 0.989,542 1.089,543 1.096,544 6.5,545 0.078,546 3.333,547 1.75,548 1.507,549 1.257,550 0.936,551 0.571,552 0.323,553 0.132,554 7565,555 30780,556 2.014,557 34.1,559 9,561 1,562 4,567 1.709,568 1.862,569 3.192,570 1.844,571 1,572 1,577 79.137,578 1.93,579 4.278,580 4.754,581 4.967,582 5.114,583 5.211,584 2.416,585 4.385,586 4.74,587 3.268,588 1147.14,589 8.263,590 14393.3,591 1,592 1,595 219.66,596 1.487,597 4.672,598 0.224,599 0.011,600 0.083,601 0.04,602 0.035,603 0.028,604 0.019,605 0.013,606 0.011,607 0.009,608 0.474,609 0.33,610 0.88,611 0.803,612 130.961,613 -0.215,614 -0.196,615 -0.023,616 -0.018,617 -0.143,618 0.036,619 -0.08,620 -0.088,621 -0.022,622 -0.051,623 -0.058,624 -0.069,625 -0.039,626 0.024,627 -0.099,628 0.015,629 -0.035,630 -0.037,631 -0.016,632 -0.028,633 0.02,634 0.033,635 0.006,636 0.032,637 0.004,638 0.037,639 0.011,640 0.061,641 -0.033,642 0.052,643 0.097,644 -0.099,645 0.073,646 -0.149,647 0.044,648 -0.087,649 -0.134,650 -0.102,651 -0.165,652 -0.168,653 -0.109,654 -0.168,655 0.022,656 0.042,657 0.01,658 -0.02,659 0.095,660 -0.057,661 2.65,662 5.22,663 0.778,664 15.081,665 1.046,666 1.136,667 0.04,668 0.002,669 0.682,670 3.401,671 3.714,672 3.932,673 4.127,674 4.344,675 4.431,676 4.489,677 4.595,678 4.635,679 4.754,680 5.551,681 0.686,682 391.8,683 3.401,684 4.934,685 5.765,686 6.627,687 7.473,688 8.335,689 9.186,690 10.049,691 10.901,692 11.764,693 12.2,700 2,702 1,703 2,709 4,710 2,714 6,716 12,718 1,733 2,734 1,735 41,737 14,738 1,739 29,741 43,742 16,743 10,744 3,745 3,748 3,749 6,750 1,753 1,757 2,760 2,761 1,762 11,763 4,767 1,772 1,776 1,780 1,783 14,784 10,785 4,786 11,787 1,792 5,797 0.333,798 5,800 2,806 1,816 2,841 2,843 1,848 1,851 27,857 2,858 2,860 2,861 2,863 2,866 1,870 1,872 1,873 1,874 12.2,875 2,877 1,879 2,881 14.5,882 7.143,883 6,884 2.137,886 2.626,887 1.348,888 0.89,889 6.062,890 10.179,891 3.664,892 4.19,893 4.687,894 5.194,895 5.68,896 5.849,897 6.004,898 6.256,899 6.298,900 6.64,901 0.714,902 44,903 10.009,905 4.391,906 8.276,907 17.833,909 14.143,911 2.776,912 74.944,916 117.711,917 88.939,918 100.652,919 39.149,920 132.511,923 88.939,924 289.371,925 100.652,927 45.206,928 113.795,929 87.089,930 76.364,931 11.418,932 105.94,933 39.149,934 117.711,935 189.59,936 132.511,937 39.149,939 117.711,940 47.145,941 85.367,943 88.07,944 67.95,945 72.72,947 117.711,948 233.163,949 128.087,952 117.711,953 34.861,954 37.476,955 52.623,956 236.29,957 117.711,958 233.163,959 128.087,961 0.582,962 0.337,963 0.17,964 0.095,965 18,966 9,969 3,970 1.238,971 3.653,972 232.057,973 0.286,974 20,975 128.382,981 19.298,982 8.481,983 4.829,985 233.163,986 5.702,987 7.83,991 0.527,993 121.388,994 478.962,995 38,1000 12.22,1004 -0.662,1007 42.887,1008 46.559,1009 0.36,1010 0.798,1011 0.887,1012 0.927,1013 0.954,1014 0.973,1015 4.913,1016 1.453,1017 5.753,1018 4.408,1019 4.394,1020 4.875,1021 2.835,1022 6.524,1023 4.238,1024 6.113,1025 1.302,1026 7.295,1027 3.885,1028 4.007,1029 4.663,1030 1.195,1031 7.334,1032 3.775,1033 7.408,1034 0.728,1035 8.929,1036 3.325,1037 5.964,1038 6.984,1039 3.864,1040 10.366,1041 5.672,1042 8.731,1043 0.648,1044 10.615,1045 1.616,1046 6.33,1047 7.534,1048 2.324,1049 11.943,1050 5.966,1051 10.078,1052 0.322,1053 12.332,1054 1.321,1055 7.774,1056 9.369,1057 5.131,1058 14.485,1059 7.356,1060 11.443,1061 0.022,1062 14.07,1063 0.642,1064 8.491,1065 10.289,1066 3.407,1067 16.4,1068 8.001,1069 12.823,1070 -0.163,1071 15.823,1072 0.055,1073 9.722,1074 11.91,1075 6.481,1076 18.752,1077 9.177,1078 2.952,1079 -0.379,1080 17.588,1081 -0.336,1082 10.612,1083 13.03,1084 4.464,1085 20.824,1086 9.995,1087 2.893,1088 9.287,1089 19.361,1090 -0.9,1091 11.747,1092 14.54,1093 7.863,1094 23.096,1095 11.073,1096 2.693,1097 9.179,1098 21.142,1099 3.963,1100 12.723,1101 15.769,1102 5.504,1103 25.244,1104 11.978,1105 2.428,1106 7.923,1107 22.929,1108 3.91,1109 13.816,1110 17.219,1111 9.26,1112 27.483,1113 13.01,1114 2.13,1115 7.121,1116 24.72,1117 3.057,1118 14.836,1119 18.51,1120 6.531,1121 29.666,1122 13.96,1123 1.96,1124 5.828,1125 26.515,1126 2.814,1127 15.911,1128 19.927,1129 10.666,1130 31.892,1131 14.972,1132 1.688,1133 5.486,1134 28.313,1135 2.69,1136 16.952,1137 21.252,1138 7.551,1139 34.094,1140 15.945,1141 7428,1142 15109,1143 18.898,1144 27.966,1145 43.896,1146 46.87,1147 44.364,1148 42.474,1149 42.44,1150 53.764,1151 11.316,1152 120.15,1153 38.922,1154 5.269,1155 6.073,1156 5.742,1157 4.999,1158 4.952,1159 6.963,1160 4.069,1161 15.665,1162 4.77,1163 14.678,1164 1.514,1165 1.616,1166 1.53,1167 1.465,1168 1.463,1169 1.854,1170 0.39,1171 4.143,1172 1.342,1173 3.957,1174 3.985,1175 4.017,1176 3.852,1177 7.431,1178 3.857,1179 3.86,1180 3.892,1181 3.866,1182 3.691,1183 6.821,1184 3.727,1185 3.685,1186 3.718,1187 3.594,1188 3.49,1189 6.494,1190 3.505,1191 3.442,1192 3.482,1193 3.496,1194 3.18,1195 6.401,1196 3.23,1197 3.229,1198 3.269,1199 3.287,1200 2.968,1201 4.998,1202 2.99,1203 3.123,1204 3.178,1205 3.082,1206 2.92,1207 4.958,1208 2.951,1209 2.91,1210 2.923,1211 3.028,1212 2.742,1213 4.576,1214 2.738,1215 2.818,1216 2.881,1217 2.705,1218 2.622,1219 4.387,1220 2.645,1221 0.149,1222 0.14,1223 0.214,1224 0.134,1225 0.102,1226 4.323,1227 0.137,1228 4.073,1229 0.07,1230 6.199,1231 0.32,1232 3.892,1233 0.096,1234 2.952,1235 3.963,1236 2.035,1237 9.287,1238 2.77,1239 1.88,1240 1.862,1241 1.954,1242 2.021,1243 1.161,1244 1.997,1245 1.762,1246 1.726,1247 1.844,1248 1.944,1249 1.05,1250 1.917,1251 1.616,1252 1.58,1253 1.776,1254 1.846,1255 0.757,1256 1.831,1257 1.293,1258 1.252,1259 1.452,1260 1.581,1261 0.655,1262 1.531,1263 1.14,1264 1.09,1265 1.372,1266 1.444,1267 0.303,1268 1.436,1269 1.025,1270 0.977,1271 1.154,1272 1.248,1273 0.147,1274 1.216,1275 0.828,1276 0.792,1277 1.039,1278 1.081,1279 0.1,1280 1.053,1281 0.735,1282 0.701,1283 0.959,1284 1.011,1285 0.002,1286 1.011,1287 4.078,1289 5.389,1291 6.878,1293 8.448,1295 10.06,1298 5.951,1302 20.064,1303 -0.643,1305 4.985,1306 10.733,1308 -2.616,1312 9.064,1313 1.788,1314 28.143,1315 79.137,1316 175.395,1317 194.905,1318 203.66,1319 209.66,1320 213.66,1321 64.77,1322 7.553,1323 149.62,1324 149.62,1325 26,1326 12.315,1327 3.907,1328 3.322,1329 46.572,1330 109,1331 71,1332 0.246,1333 178.007,1334 316.88,1335 426.096,1336 21447,1337 2.4,1338 19.389,1339 0.718,1340 0.536,1341 19.889,1342 14.473,1343 12.957,1344 0.447,1345 0.279,1346 7.566,1347 11.905,1348 7.468,1349 6.104,1350 13.245,1351 8.102,1352 11.732,1353 0.293,1354 0.148,1355 12.14,1356 5.934,1357 9.573,1358 0.191,1359 0.075,1360 9.835,1361 3.757,1362 7.464,1363 0.122,1364 0.038,1365 7.699,1366 2.339,1367 5.97,1368 0.079,1369 0.02,1370 6.221,1371 1.528,1372 0.377,1373 86.497,1374 0.23,1375 25.189,1376 0.703,1377 138,1378 549.31,1379 175.935,1380 544.002,1381 706.98,1382 504,1383 159,1384 474.151,1385 191.592,1386 481.244,1387 702.04,1388 451,1389 6.1}
{0 CHEMBL1980896,1 1.875,2 11.893,3 4.335,4 18.795,5 118.155,6 11.281,7 0.71,8 3.864,9 3.956,10 3.821,11 3.583,12 5.077,13 3.534,14 4.323,15 4.433,16 4.402,17 3.999,18 5.545,19 3.914,20 4.545,21 4.688,22 4.349,23 4.089,24 5.716,25 3.992,26 4.585,27 4.756,28 4.443,29 4.066,30 5.77,31 3.952,32 4.563,33 4.724,34 4.403,35 4,36 5.797,37 3.862,38 4.397,39 4.576,40 3.934,41 3.759,42 5.65,43 3.644,44 4.215,45 4.422,46 3.692,47 3.575,48 5.284,49 3.475,50 4.125,51 4.321,52 3.687,53 3.565,54 5.204,55 3.428,56 0.079,57 0.581,58 2.024,59 3.032,60 9.645,61 3.213,62 0.203,63 0.93,64 14.581,65 5.926,66 18.979,67 6.164,68 0.287,69 1.107,70 12.035,71 7.474,72 35.912,73 7.797,74 0.288,75 1.184,76 19.016,77 8.972,78 30.433,79 9.941,80 0.417,81 1.095,82 35.31,83 10.169,84 48.84,85 9.475,86 0.432,87 0.955,88 38.728,89 8.478,90 51.92,91 7.791,92 0.249,93 0.826,94 13.207,95 5.648,96 28.084,97 6.43,98 0.193,99 0.725,100 16.66,101 6.159,102 18.541,103 7.481,104 17,105 44,106 0.321,107 0.666,108 0.794,109 0.875,110 0.875,111 0.875,112 3.374,113 1,114 -5.64,115 -5.51,116 -5.14,118 1,119 47.6,121 1,142 8,143 4,144 2,147 1,148 1,153 1,158 1,161 1,163 1,164 1,165 1,172 11,174 1,175 4,177 1,178 2,180 4,183 19,185 1,188 3,193 4,196 14,198 1,200 8,202 1,203 1,205 5,208 11,210 2,213 8,218 5,221 8,223 3,225 7,230 5,233 7,235 2,238 1,243 2,246 8,250 1,253 2,254 1,257 1,258 10,264 2,272 10,276 1100,277 18.809,278 18.809,279 18.809,280 18.809,281 18.809,282 15.963,283 16.823,284 11.019,285 19.482,286 15.321,287 15.321,288 15.321,289 15.321,290 15.321,291 11.091,292 19.516,293 5.256,294 16.531,295 3.518,296 1.507,297 0.762,298 0.286,299 0.286,300 0.286,301 4.07,302 1,305 1,306 1,307 728,308 3.082,311 64.984,312 270.969,315 122.751,319 1.916,320 25.66,323 0.75,324 0.83,325 1,326 0.4,328 1,329 1,330 0.71,331 59.083,332 333,333 4.738,334 3.629,335 7.034,336 4.254,337 3.312,338 4.703,339 1.987,340 12.049,341 3.135,342 4.1,343 3.416,344 5.958,345 3.726,346 2.745,347 3.689,348 0.324,349 8.254,350 2.689,351 4.035,352 2.977,353 5.623,354 3.595,355 2.627,356 3.651,358 7.787,359 2.54,360 3.776,361 2.687,362 5.418,363 3.372,364 2.426,365 3.178,367 7.149,368 2.291,369 3.564,370 2.588,371 5.185,372 3.091,373 2.175,374 2.911,376 6.158,377 1.997,378 3.43,379 2.392,380 4.937,381 2.916,382 2.038,383 2.747,385 5.728,386 1.736,387 3.19,388 2.205,389 4.812,390 2.71,391 1.782,392 2.433,394 5.065,395 1.588,396 3.069,397 1.94,398 4.493,399 2.552,400 1.645,401 2.257,403 4.548,404 1.441,405 2.851,406 1.455,407 4.257,408 2.26,409 1.381,410 2.011,412 3.556,413 1.141,414 2.658,415 1.298,416 3.545,417 2.166,418 1.181,419 1.729,421 2.588,422 1.124,423 2.5,424 1,425 3.479,426 2,427 1,428 1.5,430 2.275,431 1,432 2.243,433 0.938,434 3.414,435 1.707,436 0.824,437 1.139,439 2.132,440 0.693,441 1.343,442 0.69,443 2.963,444 1.042,445 0.087,446 0.103,448 0.235,449 0.081,450 1.183,451 0.364,452 2.631,453 0.792,454 -0.216,455 -0.278,457 -0.533,458 -0.167,459 1.098,460 0.206,461 2.432,462 0.592,463 -0.275,464 -0.362,466 -0.631,467 -0.228,468 14.814,469 0.529,470 0.75,471 0.027,472 40.25,473 1.438,474 22.5,475 0.804,476 17.75,477 0.634,478 23.463,479 0.838,480 27.186,481 0.647,482 26.575,483 0.949,484 7.565,485 0.27,486 5.943,487 0.212,488 0.188,490 0.338,496 0.748,497 0.957,498 0.492,499 0.615,500 0.705,501 0.65,502 0.536,503 0.932,504 0.486,505 0.704,506 0.554,507 0.79,508 1.157,509 1.013,510 0.753,511 0.815,512 1.182,513 0.947,514 0.78,515 1.112,516 0.823,517 0.988,518 0.79,519 0.964,520 1.411,521 1.119,522 1.517,523 1.328,524 1.501,525 1.172,526 1.248,527 1.058,528 1.598,529 1.283,530 1.336,531 1.178,532 0.866,533 0.989,534 0.46,535 0.807,536 0.901,537 0.992,538 0.521,539 0.802,540 0.757,541 0.936,542 0.621,543 1.027,544 6,545 0.124,546 2.667,547 2.757,548 1.868,549 0.83,550 0.487,551 0.305,552 0.242,553 0.208,554 10734,555 37675,556 2.094,557 33.3,559 8,561 1,562 3,563 2,567 1.705,568 1.953,569 3.499,570 0.953,572 1,577 78.736,578 1.875,579 3.886,580 4.63,581 5.107,582 5.107,583 5.107,584 2.918,585 4.111,586 4.78,587 3.716,588 1404.72,589 8.282,590 19048,595 226.477,596 1.432,597 4.736,598 0.194,599 0.007,600 0.061,601 0.063,602 0.044,603 0.023,604 0.017,605 0.013,606 0.011,607 0.009,608 0.44,609 0.17,610 0.75,611 0.573,612 142.315,613 -0.116,614 0.067,615 -0.005,616 0.087,617 -0.127,618 0.074,619 0.163,620 0.072,621 0.131,622 0.101,623 0.069,624 0.016,625 -0.211,626 -0.045,627 -0.022,628 0.026,629 -0.198,630 -0.065,631 0.085,632 -0.148,633 0.069,634 -0.014,635 0.099,636 0.032,637 -0.201,638 -0.161,639 -0.125,640 -0.183,641 -0.123,642 -0.145,643 -0.087,644 -0.067,645 -0.251,646 -0.217,647 -0.042,648 -0.166,649 -0.044,650 -0.008,651 0.049,652 0.004,653 -0.13,654 -0.002,655 0.231,656 0.09,657 0.018,658 0.007,659 0.116,660 0.039,661 1.769,662 5.287,663 0.75,664 27,665 1.016,666 1.105,667 4.409,668 19.437,669 0.783,670 3.466,671 3.807,672 4.078,673 4.394,674 4.585,675 4.605,676 4.7,677 4.852,678 4.836,679 4.883,680 7.147,681 0.738,682 473.8,683 3.466,684 5.017,685 5.872,686 6.765,687 7.638,688 8.536,689 9.418,690 10.319,691 11.208,692 12.112,693 9.5,697 1,700 1,703 2,708 2,709 9,710 2,713 1,714 7,716 22,727 1,734 2,735 42,737 23,738 2,739 31,740 1,741 45,742 20,743 18,744 4,745 8,748 4,749 5,750 1,760 1,762 19,763 1,767 1,772 1,776 1,780 1,783 14,784 5,785 3,786 8,787 3,792 4,797 0.75,798 1,810 1,815 1,816 3,819 1,829 1,843 3,845 1,846 1,848 1,851 28,852 1,858 1,860 1,869 1,873 2,874 2.4,877 1,881 14.333,882 7.602,883 6.056,884 2.312,886 4.128,887 1.538,888 1.04,889 5.624,890 11.799,891 3.784,892 4.446,893 5.059,894 5.725,895 6.261,896 6.539,897 6.953,898 7.423,899 7.627,900 7.947,901 0.875,902 44,903 10.286,905 4.413,906 7.799,907 19.426,909 16.011,911 2.299,912 64.361,916 129.482,917 145.205,918 130.433,919 39.149,920 25.145,922 31.278,923 159.882,924 193.776,925 84.479,927 20.545,928 108.707,929 75.509,930 28.234,931 2.328,932 194.943,933 39.149,934 129.482,935 198.407,936 25.145,937 70.426,938 45.954,939 129.482,940 25.145,943 30.709,944 134.127,945 72.72,946 77.232,947 129.482,948 109.624,949 230.308,952 129.482,953 60.777,954 84.429,955 63.965,956 130.762,957 129.482,958 109.624,959 230.308,961 0.586,962 0.339,963 0.195,964 0.105,965 22,966 10,967 0.089,968 4,969 1,970 1.095,971 4.016,972 242.404,973 0.095,974 21,975 130.606,977 1,981 19.31,982 8.155,983 4.219,984 1.658,985 109.624,986 16.34,987 8.379,990 1.51,991 5.503,993 50.908,994 469.414,995 43,1000 12.287,1004 -0.102,1007 42.665,1008 46.399,1009 0.348,1010 0.721,1011 0.859,1012 0.947,1013 0.947,1014 0.947,1015 5.014,1016 1.645,1017 5.866,1018 5.065,1019 4.489,1020 5.133,1021 2.076,1022 6.691,1023 4.358,1024 6.249,1025 1.381,1026 7.43,1027 4.548,1028 4.111,1029 4.997,1030 1.593,1031 7.615,1032 3.895,1033 7.569,1034 1.181,1035 9.092,1036 3.556,1037 6.089,1038 7.403,1039 3.1,1040 10.755,1041 5.875,1042 8.926,1043 1,1044 10.814,1045 2.588,1046 6.509,1047 8.091,1048 3.168,1049 12.587,1050 6.227,1051 10.313,1052 0.824,1053 12.579,1054 2.275,1055 7.984,1056 9.986,1057 4.312,1058 15.27,1059 7.691,1060 11.725,1061 0.087,1062 14.375,1063 2.132,1064 8.796,1065 11.1,1066 4.654,1067 17.505,1068 8.437,1069 13.158,1070 -0.216,1071 16.198,1072 0.235,1073 10.072,1074 12.778,1075 5.601,1076 20.047,1077 9.687,1078 3.312,1079 -0.275,1080 18.043,1081 -0.533,1082 11.079,1083 14.114,1084 6.091,1085 22.443,1086 10.628,1087 2.745,1088 12.049,1089 19.906,1090 -0.631,1091 12.282,1092 15.703,1093 6.927,1094 24.944,1095 11.792,1096 2.627,1097 8.254,1098 21.785,1099 4.703,1100 13.384,1101 17.148,1102 7.5,1103 27.399,1104 12.828,1105 2.426,1106 7.787,1107 23.676,1108 3.689,1109 14.566,1110 18.704,1111 8.273,1112 29.89,1113 13.961,1114 2.175,1115 7.149,1116 25.578,1117 3.651,1118 15.712,1119 20.201,1120 8.894,1121 32.366,1122 15.044,1123 2.038,1124 6.158,1125 27.49,1126 3.178,1127 16.892,1128 21.747,1129 9.631,1130 34.855,1131 16.17,1132 1.782,1133 5.728,1134 29.408,1135 2.911,1136 18.061,1137 23.27,1138 10.279,1139 37.339,1140 17.277,1141 10125,1142 19121,1143 20.69,1144 32.904,1145 47.018,1146 47.936,1147 48.427,1148 46.794,1149 46.449,1150 64.103,1151 4.622,1152 135.046,1153 42.912,1154 5.604,1155 5.629,1156 6.59,1157 5.386,1158 5.312,1159 7.703,1160 3.497,1161 19.244,1162 5.135,1163 13.808,1164 1.517,1165 1.546,1166 1.562,1167 1.509,1168 1.498,1169 2.068,1170 0.149,1171 4.356,1172 1.384,1173 4.095,1174 4.109,1175 6.885,1176 4.101,1177 7.429,1178 4.054,1179 3.931,1180 3.956,1181 4.247,1182 3.877,1183 5.221,1184 3.867,1185 3.826,1186 3.859,1187 4.004,1188 3.762,1189 4.936,1190 3.748,1191 3.466,1192 3.5,1193 3.822,1194 3.281,1195 4.794,1196 3.3,1197 3.278,1198 3.311,1199 3.49,1200 3.2,1201 4.7,1202 3.158,1203 3.007,1204 3.111,1205 3.399,1206 2.858,1207 4.331,1208 2.829,1209 2.904,1210 2.969,1211 3.226,1212 2.791,1213 4.281,1214 2.765,1215 2.875,1216 2.925,1217 2.96,1218 2.735,1219 3.884,1220 2.715,1221 0.153,1222 0.117,1223 0.227,1224 0.137,1225 0.107,1226 4.738,1227 0.152,1228 3.629,1229 0.064,1230 7.034,1231 0.389,1232 4.254,1233 0.101,1234 3.312,1235 4.703,1236 1.987,1237 12.049,1238 3.135,1239 1.951,1240 1.929,1241 2.035,1242 2.04,1243 1.176,1244 2.04,1245 1.904,1246 1.883,1247 1.998,1248 1.981,1249 1.144,1250 1.99,1251 1.748,1252 1.716,1253 1.787,1254 1.899,1255 0.873,1256 1.884,1257 1.418,1258 1.406,1259 1.561,1260 1.608,1261 0.7,1262 1.595,1263 1.292,1264 1.29,1265 1.245,1266 1.33,1267 0.555,1268 1.367,1269 0.914,1270 0.865,1271 1.181,1272 1.227,1273 0.218,1274 1.227,1275 0.886,1276 0.824,1277 1.164,1278 1.062,1279 0.166,1280 1.107,1281 0.867,1282 0.821,1283 1.088,1284 1.043,1285 0.118,1286 1.072,1287 4.143,1289 5.476,1290 2.398,1291 6.999,1292 4.844,1293 8.61,1294 7.05,1295 10.27,1296 3.597,1298 5.968,1301 6.056,1303 0.261,1305 2.905,1314 31.001,1315 78.736,1316 163.193,1317 194.477,1318 214.477,1319 214.477,1320 214.477,1321 45.116,1322 7.671,1323 80.9,1324 109.14,1325 23,1326 12.634,1327 4.585,1328 3.7,1329 42.75,1330 125,1331 106,1332 0.172,1333 203.393,1334 338.27,1335 488.04,1336 24082,1337 4.8,1338 19.673,1339 0.703,1340 0.629,1341 21.527,1342 17.606,1343 13.508,1344 0.436,1345 0.333,1346 8.42,1347 12.069,1348 8.079,1349 6.659,1350 14.782,1351 10.33,1352 12.531,1353 0.285,1354 0.202,1355 14.587,1356 8.875,1357 10.164,1358 0.175,1359 0.107,1360 11.876,1361 6.189,1362 9.13,1363 0.114,1364 0.062,1365 11.244,1366 4.945,1367 7.161,1368 0.074,1369 0.035,1370 9.133,1371 3.386,1372 0.275,1373 98.86,1374 0.22,1375 27.062,1376 0.455,1377 150,1378 444.389,1379 285.3,1380 528.368,1381 701.71,1382 490,1383 177,1384 451.003,1385 250.378,1386 500.857,1387 734.16,1388 470,1389 5.1}
{0 CHEMBL1980995,1 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 18,237 1,238 8,241 1,243 10,246 12,250 4,253 1,255 2,258 10,263 1,264 1,267 1,268 1,272 4,276 1554,277 24.479,278 24.479,279 24.479,280 24.479,281 24.479,282 21.802,283 28.268,284 13.618,285 25.037,286 20.655,287 20.655,288 20.655,289 20.655,290 20.655,291 16.241,292 43.083,293 6.255,294 21.485,295 4.419,296 2.197,297 0.988,298 0.627,299 0.496,300 0.365,301 4.332,306 1,307 655,308 3.606,311 83.28,312 145.816,313 35.366,315 304.128,316 103.607,317 57.287,318 460.14,319 0.986,320 31.918,323 1,324 0.67,325 1,326 0.8,327 0.5,328 1,329 1,330 0.85,331 75,332 282,333 5.131,334 4.031,335 8.018,336 4.73,337 3.785,338 5.285,339 1.157,340 15.502,341 3.602,342 4.747,343 3.722,344 7.443,345 4.418,346 3.454,347 4.71,348 1.081,349 13.599,350 3.307,351 4.507,352 3.378,353 6.984,354 4.144,355 3.178,356 3.952,357 0.86,358 11.874,359 3.072,360 4.188,361 3.256,362 6.655,363 3.852,364 2.872,365 3.612,366 0.473,367 10.548,368 2.807,369 3.861,370 2.75,371 6.172,372 3.462,373 2.505,374 3.412,375 0.4,376 8.784,377 2.39,378 3.691,379 2.678,380 6.05,381 3.365,382 2.389,383 3.043,384 0.297,385 8.42,386 2.333,387 3.521,388 2.532,389 5.844,390 3.181,391 2.236,392 2.862,394 7.654,395 2.107,396 3.408,397 2.327,398 5.654,399 3.06,400 2.07,401 2.62,403 7.069,404 2.039,405 3.126,406 2.011,407 5.264,408 2.736,409 1.766,410 2.23,412 5.664,413 1.703,414 2.932,415 1.901,416 4.97,417 2.54,418 1.589,419 2.097,421 4.926,422 1.508,423 2.867,424 1.705,425 4.719,426 2.428,427 1.435,428 1.997,430 4.264,431 1.418,432 2.855,433 1.494,434 4.14,435 2.38,436 1.381,437 1.957,439 3.045,440 1.378,441 2.662,442 1.399,443 4.027,444 2.198,445 1.228,446 1.722,448 2.917,449 1.19,450 2.371,451 1.286,452 3.853,453 2.063,454 1.138,455 1.342,457 2.822,458 1.044,459 2.126,460 1.149,461 3.658,462 1.879,463 0.939,464 1.064,466 2.394,467 0.876,468 16.6,469 0.474,470 1.022,471 0.029,472 44.25,473 1.264,474 19.5,475 0.557,476 24.75,477 0.707,478 38.341,479 1.095,480 36.2,481 0.593,482 38.554,483 1.102,484 8.525,485 0.244,486 8.555,487 0.244,488 0.11,489 0.03,490 0.47,496 0.835,497 1.254,498 0.724,499 1.006,500 0.653,501 0.868,502 1.08,503 0.99,504 0.771,505 0.782,506 0.702,507 0.734,508 1.178,509 0.948,510 0.845,511 0.816,512 0.866,513 0.782,514 1.13,515 1.078,516 0.889,517 0.967,518 0.838,519 0.905,520 1.163,521 1.028,522 1.047,523 1.013,524 0.793,525 1.007,526 0.983,527 1.072,528 1.033,529 1.076,530 0.852,531 1.062,532 0.911,533 1.07,534 1.128,535 1.151,536 1.067,537 1.171,538 0.945,539 1.048,540 1.216,541 1.192,542 1.274,543 1.241,544 5.5,545 0.025,546 4.667,547 4.84,548 3.922,549 2.588,550 2.086,551 0.973,552 0.411,553 0.147,554 14300,555 32464,556 2.268,557 42.6,559 18,560 1,562 2,565 3,566 2,567 1.784,568 2.111,569 2.956,570 0.134,577 92.203,578 1.512,579 3.734,580 4.943,581 5.303,582 5.435,583 5.566,584 2.248,585 4.879,586 5.104,587 3.062,588 1821.68,589 9.056,590 24785.1,595 361.775,596 1.549,597 5.058,598 0.131,599 0.006,600 0.069,601 0.057,602 0.04,603 0.027,604 0.024,605 0.015,606 0.012,607 0.009,608 0.39,609 0.5,610 0.75,611 0.74,612 176.229,613 -0.039,614 -0.127,615 0.085,616 -0.022,617 -0.069,618 0.039,619 0.025,620 0.11,621 0.133,622 0.176,623 0.003,624 0.171,625 0.021,626 0.123,627 0.086,628 0.145,629 -0.019,630 0.13,631 -0.05,632 -0.027,633 0.031,634 0.007,635 -0.01,636 0.025,637 -0.078,638 0.018,639 -0.099,640 -0.05,641 -0.007,642 -0.072,643 -0.06,644 -0.083,645 -0.068,646 -0.089,647 0.009,648 -0.08,649 -0.002,650 -0.123,651 -0.134,652 -0.156,653 0.019,654 -0.163,655 -0.054,656 -0.137,657 -0.187,658 -0.192,659 -0.098,660 -0.208,661 2.01,662 6.322,663 0.829,664 25.211,665 1.002,666 1.118,667 2.464,668 6.07,669 0.685,670 3.761,671 4.234,672 4.727,673 5.226,674 5.652,675 6.045,676 6.441,677 6.802,678 7.081,679 7.347,680 5.059,681 0.656,682 466.58,683 3.761,684 5.398,685 6.365,686 7.357,687 8.348,688 9.353,689 10.354,690 11.364,691 12.369,692 13.381,693 6.6,695 1,700 1,701 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 4,797 0.125,798 3,811 2,815 3,816 4,817 1,819 6,820 2,821 1,822 7,838 1,842 2,843 1,847 3,851 35,858 2,860 2,861 2,863 3,865 1,874 4.9,877 1,878 2,881 16.583,882 12.067,883 7.347,884 3.789,886 5.329,887 1.503,888 1.089,889 3.859,890 15.919,891 4.025,892 4.787,893 5.612,894 6.453,895 7.231,896 7.931,897 8.645,898 9.319,899 9.871,900 10.431,901 0.667,902 85,903 13.078,905 6.105,906 7.545,907 25.55,909 23.506,911 2.045,912 71.583,916 282.506,917 138.499,918 39.82,920 47.145,923 138.499,924 329.651,925 39.82,926 28.105,927 22.651,928 93.821,929 51.849,930 20.461,931 20.348,932 270.735,934 282.506,935 178.319,936 47.145,939 247.193,940 60.458,941 22,943 53.285,944 125.034,947 282.506,948 86.964,949 138.499,952 282.506,953 34.584,954 107.713,955 36.022,956 47.145,957 282.506,958 86.964,959 138.499,961 0.603,962 0.395,963 0.252,964 0.152,965 43,966 18,967 0.029,968 2,969 10,970 1.586,971 4.034,972 446.328,973 0.69,974 26,975 177.525,981 20.312,982 6.65,983 2.213,984 8.778,985 83.166,986 16.886,991 1.884,992 4.7,993 36.022,994 507.97,995 55,1000 13.322,1004 0.004,1007 61.109,1008 68.189,1009 0.255,1010 0.63,1011 0.833,1012 0.894,1013 0.916,1014 0.938,1015 5.357,1016 2.07,1017 6.425,1018 7.654,1019 4.92,1020 5.476,1021 2.133,1022 7.461,1023 4.844,1024 6.635,1025 1.766,1026 8.118,1027 7.069,1028 4.796,1029 5.602,1031 8.844,1032 4.675,1033 8.027,1034 1.589,1035 9.919,1036 5.664,1037 6.744,1038 7.923,1039 2.149,1040 12.085,1041 6.587,1042 9.463,1043 1.435,1044 11.786,1045 4.926,1046 7.468,1047 8.919,1049 14.301,1050 7.255,1051 10.937,1052 1.381,1053 13.695,1054 4.264,1055 8.937,1056 10.764,1057 2.286,1058 17.129,1059 8.689,1060 12.438,1061 1.228,1062 15.635,1063 3.045,1064 10.007,1065 12.137,1067 19.656,1068 9.702,1069 13.961,1070 1.138,1071 17.596,1072 2.917,1073 11.334,1074 13.829,1075 2.465,1076 22.381,1077 10.988,1078 3.785,1079 0.939,1080 19.575,1081 2.822,1082 12.541,1083 15.361,1085 25.023,1086 12.139,1087 3.454,1088 15.502,1089 21.568,1090 2.394,1091 13.834,1092 17.009,1093 2.668,1094 27.73,1095 13.386,1096 3.178,1097 13.599,1098 23.573,1099 5.285,1100 15.094,1101 18.606,1103 30.416,1104 14.592,1105 2.872,1106 11.874,1107 25.587,1108 4.71,1109 16.385,1110 20.245,1111 2.888,1112 33.125,1113 15.834,1114 2.505,1115 10.548,1116 27.61,1117 3.952,1118 17.669,1119 21.871,1121 35.831,1122 17.065,1123 2.389,1124 8.784,1125 29.639,1126 3.612,1127 18.965,1128 23.512,1129 3.12,1130 38.547,1131 18.311,1132 2.236,1133 8.42,1134 31.674,1135 3.412,1136 20.262,1137 25.151,1139 41.264,1140 19.555,1141 12834,1142 19467,1143 28.668,1144 41.762,1145 67.299,1146 68.73,1147 71.374,1148 67.01,1149 67.063,1150 87.688,1151 8.536,1152 226.373,1153 64.499,1154 6.131,1155 6.031,1156 7.696,1157 5.862,1158 5.785,1159 8.285,1160 2.315,1161 24.331,1162 5.602,1163 14.98,1164 1.602,1165 1.636,1166 1.699,1167 1.595,1168 1.597,1169 2.088,1170 0.203,1171 5.39,1172 1.536,1173 4.366,1174 4.389,1175 4.351,1176 4.286,1177 7.429,1178 4.299,1179 4.019,1180 4.046,1181 3.986,1182 3.953,1183 5.093,1184 3.957,1185 3.852,1186 3.888,1187 3.781,1188 3.692,1189 4.812,1190 3.707,1191 3.726,1192 3.764,1193 3.658,1194 3.623,1195 4.7,1196 3.624,1197 3.488,1198 3.552,1199 3.401,1200 3.305,1201 4.465,1202 3.324,1203 3.397,1204 3.461,1205 3.272,1206 3.228,1207 4.409,1208 3.23,1209 3.27,1210 3.347,1211 3.134,1212 3.066,1213 4.253,1214 3.067,1215 3.221,1216 3.293,1217 3.042,1218 2.985,1219 4.076,1220 2.985,1221 0.122,1222 0.096,1223 0.191,1224 0.113,1225 0.09,1226 5.131,1227 0.126,1228 4.031,1229 0.028,1230 8.018,1231 0.369,1232 4.73,1233 0.086,1234 3.785,1235 5.285,1236 1.157,1237 15.502,1238 3.602,1239 2.036,1240 2.028,1241 2.08,1242 2.088,1243 1.366,1244 2.075,1245 1.955,1246 1.93,1247 2.053,1248 2.068,1249 1.349,1250 2.07,1251 1.889,1252 1.856,1253 1.955,1254 2.019,1255 1.166,1256 2.003,1257 1.787,1258 1.751,1259 1.944,1260 1.937,1261 1.137,1262 1.944,1263 1.39,1264 1.33,1265 1.675,1266 1.663,1267 0.845,1268 1.656,1269 1.379,1270 1.319,1271 1.604,1272 1.634,1273 0.758,1274 1.632,1275 1.293,1276 1.223,1277 1.577,1278 1.55,1279 0.67,1280 1.553,1281 1.195,1282 1.115,1283 1.54,1284 1.493,1285 0.591,1286 1.517,1287 4.443,1289 5.878,1290 3.434,1291 7.529,1292 6.009,1293 9.284,1294 8.32,1295 11.098,1297 5.922,1303 1.286,1305 6.64,1306 13.258,1308 -0.335,1310 -0.76,1314 40.025,1315 92.203,1316 227.775,1317 301.51,1318 323.51,1319 331.51,1320 339.51,1321 51.729,1322 10.59,1323 69.45,1324 69.45,1325 46,1326 13.834,1327 4.7,1328 3.807,1329 39.627,1330 112,1331 104,1332 0.19,1333 230.101,1334 383.55,1335 553.206,1336 628354,1338 23.637,1339 0.675,1340 0.568,1341 23.637,1342 19.884,1343 17.08,1344 0.407,1345 0.292,1346 12.073,1347 16.441,1348 11.765,1349 9.596,1350 17.08,1351 12.253,1352 16.322,1353 0.24,1354 0.149,1355 16.322,1356 10.137,1357 15.926,1358 0.142,1359 0.077,1360 15.926,1361 8.596,1362 15.835,1363 0.086,1364 0.04,1365 15.835,1366 7.334,1367 14.487,1368 0.051,1369 0.02,1370 14.487,1371 5.703,1372 0.273,1373 106.923,1374 0.187,1375 29.807,1376 0.616,1377 220,1378 539.163,1379 239.789,1380 517.065,1381 750.66,1382 492,1383 290,1384 592.552,1385 312.869,1386 597.473,1387 923.77,1388 568,1389 9.4}
{0 CHEMBL1981045,1 1.52,2 20.111,3 4.509,4 20.327,5 171.392,6 7.46,7 0.48,8 4.516,9 4.617,10 4.078,11 4.021,12 5.62,13 4.019,14 5.059,15 5.205,16 4.424,17 4.41,18 6.128,19 4.392,20 5.333,21 5.51,22 4.565,23 4.601,24 6.441,25 4.556,26 5.382,27 5.58,28 4.475,29 4.627,30 6.422,31 4.545,32 5.411,33 5.637,34 4.408,35 4.617,36 6.362,37 4.515,38 5.329,39 5.55,40 4.378,41 4.518,42 6.329,43 4.43,44 5.269,45 5.476,46 4.331,47 4.435,48 6.332,49 4.366,50 5.192,51 5.389,52 4.253,53 4.388,54 6.263,55 4.308,56 0.115,57 1.127,58 17.065,59 7.815,60 18.28,61 9.543,62 0.505,63 1.817,64 32.872,65 12.724,66 47.824,67 15.833,68 1.01,69 2.335,70 45.438,71 16.543,72 93.084,73 21.432,74 0.732,75 2.427,76 47.865,77 18.349,78 79.4,79 24.345,80 0.681,81 2.429,82 51.02,83 19.519,84 75.232,85 26.412,86 0.664,87 2.225,88 46.841,89 17.699,90 70.573,91 23.922,92 0.885,93 2.045,94 44.826,95 15.954,96 86.47,97 20.857,98 0.834,99 1.934,100 40.637,101 14.877,102 83.67,103 19.483,104 24,105 69,106 0.229,107 0.541,108 0.725,109 0.863,110 0.882,111 0.882,112 3.831,113 0.901,114 -2.57,115 -2.59,116 -2.53,119 42.7,121 1,124 1,125 7,127 1,142 13,143 4,144 7,158 1,172 14,175 8,178 1,180 5,183 16,187 2,188 10,191 1,192 2,193 7,196 13,200 8,203 2,205 7,208 10,212 1,213 9,218 5,221 14,225 8,228 2,230 5,233 16,238 5,241 3,243 5,246 15,249 2,250 4,253 1,255 5,258 10,263 1,264 5,267 1,269 7,272 5,276 4896,277 31.065,278 31.065,279 31.065,280 31.065,281 31.065,282 28.165,283 41.719,284 18.32,285 31.904,286 24.577,287 24.577,288 24.577,289 24.577,290 24.577,291 19.956,292 59.321,293 8.585,294 25.85,295 4.838,296 2.762,297 1.541,298 0.622,299 0.497,300 0.497,301 4.547,306 1,307 1981,308 4.062,312 720.424,313 125.426,317 417.798,319 3.536,320 46.833,323 0.75,324 0.33,325 0.67,326 0.9,327 0.5,328 0.67,329 0.5,330 0.62,331 98.5,332 905,333 4.483,334 3.624,335 6.544,336 4.123,337 3.139,338 4.155,339 1.058,340 10.349,341 3.09,342 4.319,343 3.231,344 6.27,345 3.93,346 2.961,347 3.957,348 0.86,349 9.504,350 2.878,351 4.161,352 3.134,353 6.143,354 3.814,355 2.87,356 3.793,357 0.86,358 9.054,359 2.721,360 4.139,361 3.008,362 6.114,363 3.754,364 2.774,365 3.692,366 0.86,367 8.965,368 2.71,369 3.872,370 2.872,371 5.959,372 3.529,373 2.555,374 3.272,375 0.86,376 8.397,377 2.466,378 3.686,379 2.83,380 5.337,381 3.373,382 2.443,383 2.944,384 0.8,385 6.939,386 2.267,387 3.533,388 2.686,389 5.258,390 3.239,391 2.307,392 2.838,393 0.4,394 6.657,395 2.186,396 3.397,397 2.545,398 5.153,399 3.213,400 2.227,401 2.599,403 6.164,404 2.136,405 3.317,406 2.39,407 4.99,408 3.041,409 2.069,410 2.335,412 5.885,413 2.001,414 2.978,415 2.305,416 4.465,417 2.741,418 1.823,419 2.098,421 4.518,422 1.666,423 2.922,424 2.151,425 4.447,426 2.518,427 1.605,428 2.034,430 4.389,431 1.46,432 2.906,433 1.719,434 4.314,435 2.467,436 1.481,437 2.029,439 4.004,440 1.454,441 2.782,442 1.693,443 4.178,444 2.334,445 1.349,446 1.899,448 3.613,449 1.328,450 2.594,451 1.497,452 3.882,453 2.154,454 1.258,455 1.576,457 2.865,458 1.119,459 2.5,460 1.39,461 3.538,462 2.089,463 1.082,464 1.5,466 2.784,467 1.083,468 21.033,469 0.467,470 0.93,471 0.021,472 58,473 1.289,474 28.5,475 0.633,476 29.5,477 0.656,478 41.553,479 0.923,480 49.167,481 0.6,482 52.157,483 1.159,484 11.766,485 0.261,486 10.233,487 0.227,488 0.071,490 0.328,496 0.915,497 1.255,498 0.799,499 1.097,500 0.838,501 0.949,502 1.213,503 1.108,504 0.966,505 0.971,506 0.877,507 0.926,508 1.03,509 1.012,510 1.002,511 0.94,512 0.864,513 0.957,514 0.881,515 1.1,516 1.048,517 1.099,518 0.863,519 1.103,520 0.798,521 0.972,522 0.946,523 1.006,524 0.813,525 1.007,526 0.779,527 1.026,528 0.903,529 1.049,530 0.715,531 1.009,532 1.126,533 0.934,534 1.012,535 0.942,536 1.086,537 0.955,538 1.037,539 1.057,540 1.087,541 1.047,542 1.209,543 1.075,544 8.5,545 0.327,546 5.111,547 2.125,548 2.398,549 1.646,550 1.135,551 0.601,552 0.491,553 0.427,554 43848,555 116016,556 2.133,557 45.1,559 31,562 4,564 2,567 1.822,568 2.03,569 4.232,570 1.337,577 124.638,578 1.52,579 3.595,580 4.817,581 5.735,582 5.861,583 5.861,584 3.764,585 4.986,586 5.453,587 4.445,588 4400.8,589 9.638,590 89518.8,595 521.319,596 1.277,597 5.438,598 0.17,599 0.006,600 0.074,601 0.028,602 0.035,603 0.025,604 0.018,605 0.01,606 0.009,607 0.008,608 0.384,609 0.17,610 0.5,611 0.998,612 269.861,613 -0.078,614 -0.085,615 0.044,616 -0.021,617 -0.105,618 0.028,619 -0.148,620 -0.012,621 -0.036,622 0.047,623 -0.078,624 0.029,625 0.014,626 0.054,627 -0.043,628 0.053,629 0.046,630 0.003,631 -0.033,632 -0.067,633 -0.106,634 -0.088,635 -0.017,636 -0.107,637 -0.025,638 0.01,639 0.01,640 0.008,641 -0.032,642 0.015,643 0.048,644 -0.042,645 0.06,646 -0.042,647 0.06,648 0.004,649 -0.043,650 0.047,651 -0.015,652 0.046,653 -0.034,654 0.024,655 -0.013,656 -0.056,657 -0.112,658 -0.048,659 -0.076,660 -0.094,661 2.313,662 6.204,663 0.733,664 83.067,665 1.008,666 1.122,667 1.34,668 1.795,669 0.66,670 3.932,671 4.248,672 4.533,673 4.779,674 5.063,675 5.209,676 5.375,677 5.513,678 5.714,679 5.894,680 11.203,681 0.634,682 611.75,683 3.932,684 5.476,685 6.33,686 7.201,687 8.069,688 8.947,689 9.822,690 10.704,691 11.583,692 12.468,693 3.7,699 1,700 1,701 1,709 13,714 11,716 24,723 1,728 1,730 1,733 3,735 82,737 25,738 4,739 50,741 87,742 35,743 24,744 11,745 13,746 1,748 6,749 9,754 1,760 2,762 25,763 10,767 1,772 1,776 1,783 37,784 10,785 4,786 10,792 3,797 0.667,798 7,799 1,800 1,816 5,817 1,821 2,841 2,842 1,843 4,847 1,851 45,857 2,858 8,860 2,861 4,863 1,864 1,874 8.5,875 2,877 1,878 1,879 3,881 22.167,882 14.6,883 10,884 4.743,886 4.545,887 1.474,888 0.96,889 10.079,890 14.128,891 4.159,892 4.727,893 5.293,894 5.842,895 6.419,896 6.719,897 7.141,898 7.531,899 7.989,900 8.428,901 0.929,902 77,903 16.698,905 7.157,906 7.752,907 31.897,909 26.318,911 2.252,912 101.333,916 388.446,917 203.394,918 39.146,920 154.511,923 203.394,924 542.958,925 39.146,926 10.883,927 43.126,928 208.558,929 40.849,930 93.634,932 388.446,934 388.446,935 242.54,936 154.511,939 364.904,940 81.687,941 96.367,943 61.137,944 181.403,947 388.446,948 193.657,949 203.394,952 388.446,953 69.32,954 137.199,955 36.022,956 154.511,957 388.446,958 193.657,959 203.394,961 0.576,962 0.341,963 0.178,964 0.1,965 32,966 14,967 0.126,968 11,969 2,970 1.121,971 5.527,972 461.449,973 0.121,974 33,975 237.133,981 31.201,982 14.536,983 7.544,985 193.657,986 25.239,991 8.457,993 121.388,994 785.497,995 63,1000 13.204,1004 -0.194,1007 82.618,1008 92.019,1009 0.239,1010 0.565,1011 0.758,1012 0.902,1013 0.922,1014 0.922,1015 5.403,1016 2.227,1017 6.301,1018 6.657,1019 4.934,1020 5.416,1021 2.345,1022 7.093,1023 4.847,1024 6.585,1025 2.069,1026 7.847,1027 6.164,1028 4.443,1029 5.156,1030 0.325,1031 7.941,1032 4.339,1033 7.88,1034 1.823,1035 9.489,1036 5.885,1037 6.515,1038 7.557,1039 2.128,1040 11.019,1041 6.363,1042 9.208,1043 1.605,1044 11.189,1045 4.518,1046 6.847,1047 8.111,1048 0.268,1049 12.68,1050 6.68,1051 10.569,1052 1.481,1053 12.925,1054 4.389,1055 8.353,1056 9.984,1057 1.991,1058 15.255,1059 8.15,1060 11.951,1061 1.349,1062 14.686,1063 4.004,1064 9.072,1065 10.92,1066 0.188,1067 17.257,1068 8.854,1069 13.349,1070 1.258,1071 16.464,1072 3.613,1073 10.341,1074 12.56,1075 1.904,1076 19.65,1077 10.096,1078 3.139,1079 1.082,1080 18.255,1081 2.865,1082 11.253,1083 13.696,1084 0.125,1085 21.806,1086 10.991,1087 2.961,1088 10.349,1089 20.057,1090 2.784,1091 12.42,1092 15.219,1093 1.857,1094 24.132,1095 12.137,1096 2.87,1097 9.504,1098 21.866,1099 4.155,1100 13.429,1101 16.465,1102 0.082,1103 26.359,1104 13.129,1105 2.774,1106 9.054,1107 23.681,1108 3.957,1109 14.554,1110 17.928,1111 1.845,1112 28.662,1113 14.236,1114 2.555,1115 8.965,1116 25.502,1117 3.793,1118 15.612,1119 19.236,1120 0.054,1121 30.925,1122 15.277,1123 2.443,1124 8.397,1125 27.327,1126 3.692,1127 16.723,1128 20.667,1129 1.862,1130 33.223,1131 16.372,1132 2.307,1133 6.939,1134 29.156,1135 3.272,1136 17.806,1137 22.012,1138 0.035,1139 35.506,1140 17.44,1141 40676,1142 66334,1143 34.096,1144 54.142,1145 73.77,1146 76.478,1147 75.967,1148 73.433,1149 73.583,1150 92.522,1151 11.397,1152 209.069,1153 70.126,1154 5.483,1155 5.624,1156 6.345,1157 5.226,1158 5.139,1159 7.155,1160 2.117,1161 17.208,1162 5.09,1163 19.75,1164 1.475,1165 1.53,1166 1.519,1167 1.469,1168 1.472,1169 1.85,1170 0.228,1171 4.181,1172 1.403,1173 4.081,1174 4.106,1175 4.038,1176 4.005,1177 7.429,1178 4.009,1179 3.949,1180 3.98,1181 3.89,1182 3.865,1183 6.499,1184 3.866,1185 3.92,1186 3.944,1187 3.87,1188 3.835,1189 6.403,1190 3.839,1191 3.778,1192 3.799,1193 3.722,1194 3.693,1195 4.947,1196 3.698,1197 3.681,1198 3.723,1199 3.566,1200 3.479,1201 4.862,1202 3.491,1203 3.617,1204 3.652,1205 3.493,1206 3.413,1207 4.782,1208 3.424,1209 3.425,1210 3.477,1211 3.317,1212 3.259,1213 4.62,1214 3.261,1215 3.299,1216 3.337,1217 3.217,1218 3.086,1219 4.6,1220 3.113,1221 0.09,1222 0.072,1223 0.131,1224 0.082,1225 0.063,1226 4.483,1227 0.083,1228 3.624,1229 0.021,1230 6.544,1231 0.207,1232 4.123,1233 0.062,1234 3.139,1235 4.155,1236 1.058,1237 10.349,1238 3.09,1239 1.991,1240 1.975,1241 2.068,1242 2.068,1243 1.242,1244 2.068,1245 1.928,1246 1.903,1247 2.038,1248 2.049,1249 1.227,1250 2.046,1251 1.895,1252 1.866,1253 2.009,1254 2.01,1255 1.203,1256 2.012,1257 1.769,1258 1.753,1259 1.869,1260 1.904,1261 1.074,1262 1.891,1263 1.628,1264 1.577,1265 1.843,1266 1.845,1267 1.004,1268 1.844,1269 1.555,1270 1.515,1271 1.78,1272 1.79,1273 0.956,1274 1.785,1275 1.412,1276 1.357,1277 1.649,1278 1.627,1279 0.867,1280 1.635,1281 1.22,1282 1.18,1283 1.569,1284 1.515,1285 0.825,1286 1.53,1287 4.615,1289 5.932,1291 7.444,1292 2.708,1293 9.04,1294 5.38,1295 10.681,1297 1.54,1302 18.667,1303 4.057,1305 6.477,1306 22.554,1308 -0.979,1309 2.31,1314 52.023,1315 124.638,1316 294.795,1317 394.975,1318 470.3,1319 480.564,1320 480.564,1321 86.435,1322 9.583,1323 129.27,1324 129.27,1325 37,1326 13.001,1327 4.7,1328 3.807,1329 68.937,1330 304,1331 321,1332 0.109,1333 312.442,1334 556.51,1335 754.12,1336 270138,1338 31.175,1339 0.693,1340 0.558,1341 31.175,1342 25.123,1343 22,1344 0.44,1345 0.3,1346 14.752,1347 20.998,1348 14.475,1349 11.877,1350 22,1351 15.015,1352 19.347,1353 0.28,1354 0.158,1355 19.347,1356 10.924,1357 16.872,1358 0.183,1359 0.086,1360 16.872,1361 7.877,1362 13.721,1363 0.116,1364 0.046,1365 13.721,1366 5.386,1367 11.579,1368 0.074,1369 0.024,1370 11.579,1371 3.796,1372 0.179,1373 139.184,1374 0.171,1375 40.606,1376 0.277,1377 238,1378 721.288,1379 263.123,1380 674.748,1381 920.71,1382 638,1383 280,1384 661.839,1385 305.737,1386 666.256,1387 979.34,1388 628,1389 5.1}
{0 CHEMBL1981047,1 1.566,2 15.257,3 2.658,4 7.062,5 135.925,6 7.302,7 0.436,8 4.281,9 4.409,10 3.837,11 3.772,12 5.348,13 3.763,14 4.847,15 5.036,16 4.197,17 4.18,18 5.857,19 4.153,20 5.069,21 5.266,22 4.271,23 4.341,24 6.113,25 4.275,26 5.216,27 5.453,28 4.216,29 4.331,30 6.266,31 4.247,32 5.168,33 5.413,34 4.168,35 4.264,36 6.209,37 4.189,38 5.033,39 5.257,40 4.11,41 4.232,42 6.099,43 4.142,44 5.014,45 5.263,46 3.997,47 4.167,48 5.965,49 4.064,50 4.883,51 5.121,52 3.902,53 4.002,54 5.979,55 3.92,56 0.059,57 1.009,58 13.857,59 5.582,60 9.822,61 7.658,62 0.423,63 1.617,64 27.358,65 8.831,66 29.396,67 12.703,68 0.483,69 1.914,70 34.396,71 12.223,72 46.133,73 17.238,74 0.572,75 1.989,76 42.706,77 13.776,78 78.09,79 19.74,80 0.678,81 1.837,82 41.766,83 12.881,84 79.383,85 18.48,86 0.607,87 1.725,88 34.797,89 11.995,90 68.304,91 17.167,92 0.45,93 1.668,94 34.731,95 11.52,96 50.576,97 17.037,98 0.465,99 1.477,100 30.402,101 9.235,102 74.515,103 13.761,104 18,105 55,106 0.248,107 0.574,108 0.747,109 0.827,110 0.833,111 0.833,112 3.588,113 0.908,114 -3.56,115 -3.53,116 -3.37,119 40,124 2,125 6,127 1,142 9,143 3,144 1,147 1,152 1,158 2,168 1,172 10,174 1,175 6,178 2,180 3,183 10,187 3,188 8,191 1,192 1,193 2,196 5,199 2,200 12,203 1,205 2,208 1,213 10,216 2,218 1,221 3,224 3,225 7,228 3,230 3,233 4,237 1,238 4,241 1,243 5,246 2,249 2,250 6,255 4,258 1,263 2,264 6,267 2,269 3,272 1,276 2371,277 23.955,278 23.955,279 23.955,280 23.955,281 23.955,282 21.71,283 32.814,284 13.963,285 24.521,286 19.163,287 19.163,288 19.163,289 19.163,290 19.163,291 15.686,292 45.988,293 6.533,294 19.939,295 4.457,296 2.396,297 1.305,298 0.804,299 0.762,300 0.762,301 4.293,306 1,307 1173,308 3.937,311 180.491,312 379.13,314 147.563,319 2.493,320 33.992,323 1,324 0.67,325 1,326 0.8,327 0.5,328 1,329 1,330 0.85,331 76,332 534,333 4.481,334 3.951,335 6.687,336 4.168,337 3.203,338 4.109,339 2.245,340 10.806,341 3.087,342 4.242,343 3.587,344 6.496,345 3.954,346 2.978,347 3.791,348 1.2,349 10.1,350 2.904,351 4.198,352 3.297,353 6.169,354 3.869,355 2.904,356 3.633,357 1.058,358 9.125,359 2.822,360 3.92,361 3.127,362 5.995,363 3.67,364 2.696,365 3.205,366 0.8,367 8.503,368 2.597,369 3.715,370 2.878,371 5.686,372 3.356,373 2.389,374 3.039,375 0.8,376 7.505,377 2.31,378 3.395,379 2.635,380 5.115,381 3.225,382 2.292,383 2.48,384 0.754,385 6.111,386 2.135,387 3.233,388 2.306,389 5.042,390 2.904,391 1.947,392 2.374,393 0.359,394 5.885,395 1.854,396 3.009,397 2.096,398 4.579,399 2.659,400 1.709,401 2.151,402 0.101,403 4.46,404 1.619,405 2.878,406 2.014,407 4.422,408 2.53,409 1.564,410 1.922,412 4.309,413 1.503,414 2.695,415 1.881,416 4.199,417 2.292,418 1.306,419 1.744,421 3.546,422 1.283,423 2.5,424 1.502,425 3.921,426 2.146,427 1.166,428 1.5,430 3.003,431 1.135,432 2.5,433 1.445,434 3.649,435 2.035,436 1.077,437 1.5,439 2.683,440 1.023,441 2.499,442 1.406,443 3.414,444 2,445 1,446 1.468,448 2.275,449 1,450 2.404,451 1.146,452 3.414,453 2,454 1,455 1.377,457 2.275,458 1,459 2.07,460 1,461 3.335,462 1.967,463 1,464 1,466 2.136,467 0.965,468 16.4,469 0.469,470 0.815,471 0.023,472 43.75,473 1.25,474 20,475 0.571,476 23.75,477 0.679,478 30.788,479 0.88,480 38.2,481 0.588,482 36.641,483 1.047,484 9.049,485 0.259,486 7.98,487 0.228,488 0.102,490 0.348,496 0.766,497 1.458,498 0.788,499 1.175,500 0.55,501 1.009,502 1.079,503 1.044,504 0.925,505 0.857,506 0.632,507 0.85,508 0.857,509 1.156,510 1.036,511 1.184,512 0.859,513 1.142,514 1.154,515 1.04,516 1.02,517 1.067,518 1.242,519 1.031,520 1.317,521 0.89,522 0.946,523 0.848,524 1.347,525 0.845,526 0.857,527 1.03,528 0.983,529 1.052,530 1.169,531 1.051,532 0.836,533 1.059,534 0.94,535 1.016,536 0.925,537 0.999,538 1.056,539 1.166,540 1.043,541 1.068,542 1.091,543 1.049,544 6.5,545 0.184,546 4.667,547 2.451,548 1.691,549 1.302,550 0.941,551 0.512,552 0.358,553 0.299,554 20629,555 49387,556 2.123,557 46.2,559 28,562 2,567 1.763,568 2,569 3.86,570 0.191,577 101.771,578 1.566,579 3.626,580 4.718,581 5.218,582 5.261,583 5.261,584 3.337,585 4.572,586 5.098,587 4.039,588 2403.24,589 8.928,590 38865.2,595 391.454,596 1.366,597 5.067,598 0.167,599 0.005,600 0.085,601 0.044,602 0.033,603 0.026,604 0.02,605 0.012,606 0.01,607 0.009,608 0.411,609 0.33,610 0.75,611 0.651,612 192.327,613 0.001,614 -0.208,615 0.071,616 -0.091,617 -0.013,618 -0.016,619 -0.061,620 0.112,621 0.02,622 0.13,623 0.001,624 0.097,625 0.078,626 -0.067,627 -0.098,628 -0.167,629 0.045,630 -0.161,631 -0.043,632 -0.07,633 -0.02,634 -0.09,635 0.003,636 -0.056,637 -0.077,638 0.044,639 0.081,640 0.119,641 -0.038,642 0.125,643 0.133,644 -0.029,645 -0.013,646 -0.044,647 0.005,648 -0.059,649 0.029,650 -0.085,651 0.035,652 -0.023,653 -0.037,654 0.001,655 -0.006,656 -0.159,657 -0.049,658 -0.112,659 0.078,660 -0.09,661 2.009,662 6.151,663 0.743,664 45.249,665 1.003,666 1.132,667 2.331,668 5.433,669 0.654,670 3.689,671 4.025,672 4.331,673 4.585,674 4.779,675 4.883,676 5.037,677 5.1,678 5.209,679 5.342,680 8.626,681 0.625,682 474.62,683 3.689,684 5.242,685 6.107,686 6.989,687 7.869,688 8.756,689 9.642,690 10.533,691 11.423,692 12.316,693 9.2,696 1,699 1,700 2,701 1,703 1,709 9,710 1,711 1,714 6,716 17,723 1,730 1,735 65,737 19,738 2,739 39,741 69,742 26,743 15,744 3,745 9,746 1,748 5,749 6,760 1,762 17,763 9,767 2,772 2,776 2,783 30,784 8,785 2,786 9,792 6,797 0.8,798 3,807 1,815 2,816 3,818 1,830 1,839 1,842 1,843 4,847 2,851 35,858 6,860 1,861 1,863 1,864 3,874 4.6,877 2,878 1,881 17.5,882 12.133,883 7.694,884 3.764,886 2.989,887 1.355,888 0.997,889 6.977,890 11.404,891 3.922,892 4.469,893 5.006,894 5.509,895 5.914,896 6.105,897 6.445,898 6.621,899 6.89,900 7.238,901 1,902 56,903 13.023,905 5.618,906 7.705,907 24.994,909 20.794,911 2.205,912 77.167,916 329.591,917 144.007,918 60.71,920 61.29,923 144.007,924 390.881,925 60.71,926 19.279,927 33.769,928 85.286,929 87.362,930 35.225,931 5.085,932 329.591,934 329.591,935 204.717,936 61.29,939 329.591,940 50.29,941 11,943 53.557,944 134.497,945 16.663,947 329.591,948 121.999,949 144.007,952 329.591,953 39.442,954 113.939,955 34.674,956 77.953,957 329.591,958 121.999,959 144.007,961 0.583,962 0.352,963 0.188,964 0.099,965 27,966 12,967 0.087,968 6,969 1,970 1.077,971 4.655,972 331.947,973 0.077,974 26,975 167.525,981 23.704,982 10.302,983 5.02,985 105.336,986 17.097,987 4.279,988 2.97,991 4.592,993 34.674,994 595.598,995 49.5,1000 26.063,1004 -0.354,1007 65.196,1008 73.6,1009 0.26,1010 0.602,1011 0.783,1012 0.866,1013 0.874,1014 0.874,1015 5.178,1016 1.709,1017 6.094,1018 5.885,1019 4.71,1020 5.156,1021 2.872,1022 6.917,1023 4.637,1024 6.358,1025 1.564,1026 7.662,1027 4.46,1028 4.29,1029 4.868,1030 2.135,1031 7.837,1032 4.183,1033 7.654,1034 1.306,1035 9.331,1036 4.309,1037 6.319,1038 7.244,1039 3.731,1040 10.938,1041 6.177,1042 8.982,1043 1.166,1044 11.058,1045 3.546,1046 6.746,1047 7.799,1048 3.865,1049 12.69,1050 6.573,1051 10.345,1052 1.077,1053 12.822,1054 3.003,1055 8.221,1056 9.636,1057 5.053,1058 15.295,1059 8.015,1060 11.73,1061 1,1062 14.612,1063 2.683,1064 9.023,1065 10.58,1066 5.565,1067 17.378,1068 8.786,1069 13.134,1070 1,1071 16.42,1072 2.275,1073 10.281,1074 12.187,1075 6.559,1076 19.816,1077 10.014,1078 3.203,1079 1,1080 18.241,1081 2.275,1082 11.256,1083 13.328,1084 7.229,1085 22.042,1086 10.956,1087 2.978,1088 10.806,1089 20.072,1090 2.136,1091 12.429,1092 14.826,1093 8.13,1094 24.42,1095 12.098,1096 2.904,1097 10.1,1098 21.911,1099 4.109,1100 13.484,1101 16.074,1102 8.871,1103 26.711,1104 13.119,1105 2.696,1106 9.125,1107 23.757,1108 3.791,1109 14.625,1110 17.517,1111 9.727,1112 29.07,1113 14.228,1114 2.389,1115 8.503,1116 25.607,1117 3.633,1118 15.719,1119 18.825,1120 10.502,1121 31.393,1122 15.288,1123 2.292,1124 7.505,1125 27.462,1126 3.205,1127 16.851,1128 20.241,1129 11.335,1130 33.747,1131 16.386,1132 1.947,1133 6.111,1134 29.321,1135 3.039,1136 17.966,1137 21.585,1138 12.126,1139 36.087,1140 17.465,1141 19190,1142 29910,1143 26.353,1144 42.534,1145 59.43,1146 60.919,1147 61.076,1148 58.716,1149 58.636,1150 73.16,1151 14.636,1152 170.358,1153 56.522,1154 5.481,1155 5.951,1156 6.489,1157 5.235,1158 5.203,1159 7.109,1160 3.862,1161 18.063,1162 5.087,1163 16.161,1164 1.524,1165 1.562,1166 1.566,1167 1.506,1168 1.503,1169 1.876,1170 0.375,1171 4.368,1172 1.449,1173 4.064,1174 4.114,1175 4.019,1176 3.923,1177 7.43,1178 3.937,1179 3.95,1180 3.997,1181 3.89,1182 3.855,1183 7.426,1184 3.856,1185 3.908,1186 3.939,1187 3.846,1188 3.807,1189 4.99,1190 3.817,1191 3.75,1192 3.811,1193 3.641,1194 3.567,1195 4.786,1196 3.575,1197 3.529,1198 3.568,1199 3.469,1200 3.295,1201 4.716,1202 3.332,1203 3.345,1204 3.398,1205 3.268,1206 3.103,1207 4.529,1208 3.136,1209 3.218,1210 3.304,1211 3.073,1212 2.941,1213 4.341,1214 2.943,1215 3.117,1216 3.206,1217 2.932,1218 2.925,1219 4.019,1220 2.91,1221 0.115,1222 0.101,1223 0.171,1224 0.107,1225 0.082,1226 4.481,1227 0.105,1228 3.951,1229 0.058,1230 6.687,1231 0.277,1232 4.168,1233 0.079,1234 3.203,1235 4.109,1236 2.245,1237 10.806,1238 3.087,1239 1.932,1240 1.902,1241 2.05,1242 2.067,1243 1.304,1244 2.066,1245 1.914,1246 1.89,1247 2.033,1248 2.012,1249 1.151,1250 2.017,1251 1.718,1252 1.651,1253 1.915,1254 1.917,1255 1.066,1256 1.918,1257 1.572,1258 1.537,1259 1.712,1260 1.804,1261 0.971,1262 1.778,1263 1.539,1264 1.488,1265 1.686,1266 1.705,1267 0.924,1268 1.7,1269 1.341,1270 1.281,1271 1.597,1272 1.656,1273 0.825,1274 1.622,1275 1.222,1276 1.155,1277 1.541,1278 1.526,1279 0.649,1280 1.523,1281 1.153,1282 1.064,1283 1.513,1284 1.451,1285 0.642,1286 1.47,1287 4.369,1289 5.7,1290 3.045,1291 7.222,1292 5.416,1293 8.824,1294 7.516,1295 10.469,1297 3.665,1303 4.763,1305 2.907,1306 5.505,1308 -0.676,1309 6.355,1314 40.594,1315 101.771,1316 235.685,1317 306.66,1318 339.189,1319 341.944,1320 341.944,1321 64.974,1322 8.414,1323 93.8,1324 93.8,1325 28,1326 12.844,1327 4.322,1328 3.524,1329 52.515,1330 181,1331 197,1332 0.139,1333 246.685,1334 429.83,1335 593.671,1336 62803,1338 24.363,1339 0.696,1340 0.572,1341 24.363,1342 20.03,1343 17.029,1344 0.437,1345 0.303,1346 11.595,1347 16.255,1348 11.3,1349 9.341,1350 17.029,1351 11.808,1352 15.23,1353 0.277,1354 0.164,1355 15.23,1356 9.041,1357 13.468,1358 0.18,1359 0.09,1360 13.468,1361 6.755,1362 11.134,1363 0.115,1364 0.048,1365 11.134,1366 4.64,1367 8.659,1368 0.073,1369 0.026,1370 8.659,1371 3.123,1372 0.225,1373 107.609,1374 0.195,1375 32.756,1376 0.364,1377 188,1378 538.453,1379 207.436,1380 515.512,1381 703.7,1382 484,1383 224,1384 513.008,1385 246.322,1386 521.175,1387 764.69,1388 487,1389 6.4}
{0 CHEMBL1981079,1 1.903,2 8.435,3 2.84,4 8.063,5 85.385,6 9.758,7 0.68,8 3.675,9 3.79,10 3.44,11 3.238,12 5.019,13 3.262,14 4.103,15 4.227,16 3.848,17 3.612,18 5.543,19 3.62,20 4.32,21 4.472,22 3.885,23 3.694,24 5.689,25 3.692,26 4.342,27 4.502,28 3.915,29 3.648,30 5.818,31 3.656,32 4.368,33 4.563,34 3.759,35 3.63,36 5.699,37 3.616,38 4.332,39 4.527,40 3.788,41 3.526,42 5.925,43 3.52,44 4.214,45 4.413,46 3.632,47 3.398,48 5.649,49 3.369,50 4.01,51 4.21,52 3.512,53 3.137,54 5.623,55 3.113,56 0.165,57 0.611,58 3.776,59 2.399,60 21.803,61 2.303,62 0.284,63 0.918,64 6.589,65 4.265,66 36.393,67 4.598,68 0.467,69 1.077,70 12.779,71 5.357,72 59.15,73 5.247,74 0.59,75 1.095,76 12.876,77 5.319,78 66.642,79 5.323,80 0.507,81 1.109,82 13.263,83 5.895,84 66.373,85 6.46,86 0.663,87 0.983,88 14.085,89 5.362,90 100.501,91 6.032,92 0.553,93 0.831,94 14.821,95 5.112,96 79.82,97 5.36,98 0.51,99 0.664,100 13.129,101 4.141,102 73.744,103 4.655,104 27,105 36,106 0.346,107 0.674,108 0.819,109 0.902,110 0.902,111 0.902,112 3.189,113 0.828,114 -3.24,115 -3.23,116 -3.1,119 44.1,142 5,143 2,144 2,145 1,146 1,150 1,152 2,158 1,163 2,164 2,165 2,172 3,174 1,175 3,177 3,178 3,180 4,183 6,185 1,188 2,191 1,193 3,196 5,198 1,200 2,203 1,204 1,205 4,207 1,208 5,210 2,213 3,216 1,217 1,218 2,220 1,221 3,223 2,224 1,225 5,227 1,228 1,230 5,233 2,235 4,238 3,243 1,246 3,248 1,249 1,250 2,252 2,253 2,254 1,255 2,257 2,260 2,262 1,264 3,269 2,272 1,274 2,276 704,277 15.085,278 15.085,279 15.085,280 15.085,281 15.085,282 12.868,283 9.215,284 8.725,285 15.464,286 12.327,287 12.327,288 12.327,289 12.327,290 12.327,291 8.993,292 6.806,293 4.144,294 13.023,295 3.184,296 1.374,297 0.577,298 0.118,299 0.118,300 0.118,301 3.863,302 1,304 1,305 1,306 1,307 410,308 2.646,311 61.679,312 149.772,319 1.323,320 35.443,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 51.333,332 194,333 4.586,334 3.564,335 6.794,336 4.202,337 3.223,338 4.314,339 0.98,340 11.181,341 3.154,342 4.205,343 3.229,344 6.159,345 3.782,346 2.826,347 3.845,349 9.095,350 2.7,351 4.003,352 2.925,353 5.903,354 3.575,355 2.611,356 3.566,358 8.049,359 2.515,360 3.565,361 2.74,362 5.105,363 3.13,364 2.192,365 2.9,367 6.035,368 2.04,369 3.495,370 2.47,371 5.033,372 3.044,373 2.139,374 2.801,376 6.008,377 1.877,378 3.091,379 2.161,380 4.667,381 2.619,382 1.685,383 2.271,385 4.585,386 1.524,387 2.841,388 1.622,389 4.227,390 2.371,391 1.406,392 1.981,394 3.738,395 1.345,396 2.672,397 1.308,398 3.905,399 2.152,400 1.189,401 1.739,403 2.849,404 1.136,405 2.431,406 1.021,407 3.543,408 1.897,409 0.948,410 1.392,412 2.454,413 0.889,414 2.275,415 0.982,416 3.467,417 1.736,418 0.76,419 1.11,421 2.016,422 0.733,423 1.268,424 0.342,425 2.716,426 0.829,427 -0.057,428 -0.072,430 -0.138,431 -0.045,432 0.944,433 0.245,434 2.508,435 0.525,436 -0.401,437 -0.507,439 -0.891,440 -0.357,441 0.796,442 0.098,443 2.359,444 0.325,445 -0.515,446 -0.621,448 -1.242,449 -0.37,450 0.692,451 -0.247,452 2,453 0.235,454 -0.714,455 -0.943,457 -2,458 -0.673,459 0.51,460 -0.692,461 2,462 0.058,463 -1,464 -1.173,466 -2.022,467 -0.865,468 10.833,469 0.471,470 0.72,471 0.031,472 33.25,473 1.446,474 18,475 0.783,476 15.25,477 0.663,478 15.149,479 0.659,480 23.967,481 0.705,482 24.961,483 1.085,484 6.819,485 0.296,486 4.133,487 0.18,488 0.197,490 0.415,494 1,496 0.767,497 0.974,498 0.567,499 0.697,500 0.73,501 0.654,502 0.581,503 0.99,504 0.571,505 0.895,506 0.513,507 0.838,508 1.144,509 1.123,510 1.06,511 1.028,512 1.054,513 1.001,514 0.957,515 1.135,516 0.884,517 1.111,518 1.032,519 1.076,520 1.015,521 1.08,522 0.713,523 0.978,524 1.055,525 1.007,526 0.833,527 0.95,528 0.733,529 0.952,530 0.886,531 0.98,532 1.303,533 1.007,534 1.114,535 0.972,536 1.404,537 1.012,538 0.914,539 1.048,540 1.092,541 1.167,542 0.969,543 1.126,544 5.5,545 0.054,546 2.889,547 1.785,548 1.741,549 1.122,550 0.565,551 0.412,552 0.217,553 0.088,554 4980,555 19922,556 2.016,557 32.4,559 5,561 1,562 5,567 1.663,568 1.84,569 3.072,570 2.761,572 1,574 1,577 64.707,578 1.903,579 3.713,580 4.511,581 4.97,582 4.97,583 4.97,584 2.546,585 4.263,586 4.494,587 3.204,588 810.666,589 7.772,590 8991.94,591 1,592 1,593 1,594 1,595 172.974,596 1.538,597 4.428,598 0.22,599 0.013,600 0.08,601 0.05,602 0.05,603 0.035,604 0.019,605 0.017,606 0.011,607 0.009,608 0.504,609 0.33,610 1,611 0.872,612 105.583,613 -0.167,614 0.032,615 -0.034,616 0.148,617 -0.171,618 0.13,619 0.093,620 -0.001,621 0.07,622 0.003,623 0.114,624 0.013,625 -0.225,626 -0.109,627 -0.194,628 -0.083,629 -0.16,630 -0.106,631 0.035,632 -0.064,633 -0.079,634 -0.186,635 -0.041,636 -0.189,637 -0.097,638 -0.068,639 0.004,640 -0.033,641 -0.097,642 -0.022,643 0.171,644 0.001,645 0.101,646 -0.01,647 0.205,648 -0.002,649 -0.185,650 -0.071,651 -0.036,652 0.036,653 -0.203,654 0.007,655 0.193,656 -0.134,657 0.091,658 -0.163,659 0.173,660 -0.104,661 2.362,662 6.153,663 0.739,664 17.365,665 1.036,666 1.137,667 2.009,668 4.037,669 0.715,670 3.258,671 3.611,672 3.871,673 4.159,674 4.382,675 4.489,676 4.533,677 4.644,678 4.654,679 4.575,680 5.176,681 0.71,682 331.76,683 3.258,684 4.812,685 5.666,686 6.561,687 7.44,688 8.341,689 9.23,690 10.134,691 11.029,692 11.934,693 14.7,697 1,700 1,701 1,703 2,709 6,710 2,711 1,714 8,716 17,722 1,727 1,734 2,735 34,737 18,738 1,739 25,741 36,742 15,743 14,744 3,745 3,746 1,748 3,749 3,750 1,762 15,767 1,772 1,776 1,779 1,780 1,781 1,783 11,784 6,785 5,786 8,787 1,792 5,797 1,798 1,810 1,811 1,815 1,816 2,843 3,848 1,849 1,851 23,852 2,873 2,874 2.9,877 1,881 12.5,882 6.019,883 4.972,884 1.739,886 3.063,887 1.445,888 1.029,889 4.028,890 9.95,891 3.57,892 4.223,893 4.823,894 5.443,895 5.97,896 6.324,897 6.689,898 7.128,899 7.487,900 7.749,901 0.833,902 36,903 8.464,905 3.723,906 8.222,907 15.226,909 12.287,911 2.722,912 62.611,916 70.627,917 90.295,918 116.151,919 39.149,920 25.145,921 14.96,923 90.295,924 134.92,925 131.111,927 32.897,928 80.278,929 75.192,930 47.582,931 22.373,932 58.856,933 39.149,934 70.627,935 206.446,936 40.105,937 39.149,939 85.587,940 25.145,943 63.386,944 109.489,945 72.72,947 85.587,948 141.296,949 129.444,952 70.627,953 33.867,954 56.429,955 16.786,956 178.619,957 70.627,958 156.256,959 129.444,961 0.592,962 0.339,963 0.185,964 0.106,965 18,966 9,967 0.083,968 3,970 1,971 3.381,972 187.828,974 17,975 104.042,981 15.466,982 5.989,983 3.042,985 139.47,986 8.723,987 7.854,988 2.953,991 1.251,993 82.58,994 356.327,995 34.5,1000 11.681,1004 -0.695,1007 35.207,1008 38.645,1009 0.374,1010 0.73,1011 0.887,1012 0.977,1013 0.977,1014 0.977,1015 4.806,1016 1.189,1017 5.68,1018 3.738,1019 4.29,1020 4.909,1021 1.072,1022 6.518,1023 4.191,1024 6.051,1025 0.948,1026 7.261,1027 2.849,1028 4.007,1029 4.796,1031 7.469,1032 3.843,1033 7.376,1034 0.76,1035 8.939,1036 2.454,1037 5.911,1038 7.146,1039 1.045,1040 10.579,1041 5.745,1042 8.736,1043 -0.057,1044 10.673,1045 2.016,1046 6.399,1047 7.81,1049 12.355,1050 6.193,1051 10.124,1052 -0.401,1053 12.443,1054 -0.138,1055 7.825,1056 9.656,1057 1.019,1058 15,1059 7.613,1060 11.533,1061 -0.515,1062 14.239,1063 -0.891,1064 8.663,1065 10.692,1067 17.126,1068 8.425,1069 12.959,1070 -0.714,1071 16.055,1072 -1.242,1073 9.907,1074 12.319,1075 0.993,1076 19.609,1077 9.657,1078 3.223,1079 -1,1080 17.886,1081 -2,1082 10.909,1083 13.547,1085 21.89,1086 10.639,1087 2.826,1088 11.181,1089 19.729,1090 -2.022,1091 12.085,1092 15.072,1093 0.967,1094 24.318,1095 11.801,1096 2.611,1097 9.095,1098 21.582,1099 4.314,1100 13.165,1101 16.402,1103 26.668,1104 12.862,1105 2.192,1106 8.049,1107 23.443,1108 3.845,1109 14.319,1110 17.88,1111 0.942,1112 29.078,1113 14,1114 2.139,1115 6.035,1116 25.311,1117 3.566,1118 15.436,1119 19.263,1121 31.459,1122 15.1,1123 1.685,1124 6.008,1125 27.184,1126 2.9,1127 16.586,1128 20.722,1129 0.917,1130 33.866,1131 16.232,1132 1.406,1133 4.585,1134 29.062,1135 2.801,1136 17.723,1137 22.135,1139 36.262,1140 17.352,1141 4956,1142 10013,1143 16.126,1144 24.324,1145 38.725,1146 39.208,1147 40.006,1148 38.212,1149 37.958,1150 51.84,1151 1.96,1152 112.022,1153 35.825,1154 5.277,1155 5.564,1156 6.346,1157 5.273,1158 5.223,1159 7.314,1160 1.96,1161 18.456,1162 5.154,1163 13.197,1164 1.549,1165 1.568,1166 1.6,1167 1.528,1168 1.518,1169 2.074,1170 0.078,1171 4.481,1172 1.433,1173 4.079,1174 4.112,1175 4.085,1176 3.981,1177 8.201,1178 3.993,1179 3.846,1180 3.881,1181 3.911,1182 3.748,1183 7.437,1184 3.754,1185 3.691,1186 3.736,1187 3.691,1188 3.529,1189 5.236,1190 3.552,1191 3.285,1192 3.354,1193 3.32,1194 2.951,1195 4.937,1196 3.01,1197 3.025,1198 3.133,1199 3.193,1200 2.828,1201 4.878,1202 2.827,1203 2.909,1204 2.96,1205 2.863,1206 2.733,1207 4.744,1208 2.741,1209 2.86,1210 2.893,1211 2.796,1212 2.725,1213 4.526,1214 2.73,1215 2.57,1216 2.657,1217 2.559,1218 2.336,1219 4.148,1220 2.361,1221 0.183,1222 0.143,1223 0.272,1224 0.168,1225 0.129,1226 4.586,1227 0.173,1228 3.564,1229 0.039,1230 6.794,1231 0.447,1232 4.202,1233 0.126,1234 3.223,1235 4.314,1236 0.98,1237 11.181,1238 3.154,1239 1.905,1240 1.888,1241 1.963,1242 2.003,1243 1.1,1244 1.992,1245 1.796,1246 1.755,1247 1.875,1248 1.961,1249 0.908,1250 1.942,1251 1.526,1252 1.505,1253 1.614,1254 1.713,1255 0.67,1256 1.683,1257 1.315,1258 1.251,1259 1.447,1260 1.575,1261 0.453,1262 1.547,1263 0.962,1264 0.894,1265 1.246,1266 1.296,1267 0.156,1268 1.294,1269 0.922,1270 0.83,1271 1.194,1272 1.232,1274 1.237,1275 0.86,1276 0.804,1277 1.113,1278 1.068,1280 1.079,1281 0.604,1282 0.55,1283 0.771,1284 0.809,1286 0.813,1287 3.932,1289 5.273,1290 2.398,1291 6.799,1292 4.727,1293 8.412,1294 6.862,1295 10.07,1298 5.753,1299 14.153,1301 10.938,1314 24.14,1315 64.707,1316 126.245,1317 153.364,1318 168.974,1319 168.974,1320 168.974,1321 48.374,1322 6.887,1323 110.68,1324 110.68,1325 17,1326 12.455,1327 4.248,1328 3.392,1329 36.565,1330 70,1331 71,1332 0.261,1333 153.628,1334 259.59,1335 366.611,1336 7503,1337 5.9,1338 16.56,1339 0.72,1340 0.541,1341 16.19,1342 12.433,1343 10.952,1344 0.438,1345 0.276,1346 6.449,1347 10.189,1348 6.32,1349 5.207,1350 10.83,1351 6.904,1352 10.394,1353 0.289,1354 0.144,1355 10.263,1356 5.197,1357 8.247,1358 0.175,1359 0.074,1360 8.154,1361 3.469,1362 7.023,1363 0.111,1364 0.038,1365 6.628,1366 2.374,1367 5.507,1368 0.07,1369 0.02,1370 5.571,1371 1.556,1372 0.394,1373 72.181,1374 0.249,1375 22.092,1376 0.766,1377 122,1378 456.298,1379 151.613,1380 451.375,1381 592.7,1382 416,1383 144,1384 408.058,1385 166.6,1386 417.979,1387 610.37,1388 393,1389 5.2}
{0 CHEMBL1981410,1 1.785,2 13.636,3 3.893,4 15.158,5 121.45,6 8.594,7 0.5,8 4.1,9 4.227,10 3.765,11 3.589,12 5.329,13 3.618,14 4.621,15 4.786,16 4.193,17 3.957,18 6.251,19 3.972,20 4.841,21 5.037,22 4.238,23 4.114,24 6.094,25 4.11,26 4.908,27 5.121,28 4.17,29 4.076,30 6.192,31 4.064,32 4.878,33 5.09,34 4.119,35 4.033,36 6.188,37 4.015,38 4.852,39 5.094,40 3.919,41 3.967,42 6.015,43 3.916,44 4.709,45 4.938,46 3.906,47 3.868,48 6.185,49 3.807,50 4.616,51 4.87,52 3.68,53 3.765,54 5.726,55 3.684,56 0.213,57 1.065,58 8.179,59 4.179,60 25.871,61 4.799,62 1.001,63 1.94,64 17.507,65 7.154,66 144.189,67 8.497,68 0.66,69 1.872,70 23.178,71 8.827,72 58.871,73 11.175,74 0.878,75 1.919,76 26.987,77 9.406,78 92.99,79 11.374,80 0.951,81 1.772,82 26.519,83 8.671,84 95.11,85 10.946,86 0.929,87 1.579,88 28.628,89 8.946,90 115.472,91 11.442,92 1.027,93 1.372,94 23.806,95 7.895,96 146.05,97 11.008,98 0.646,99 1.251,100 23.121,101 8.028,102 73.611,103 10.891,104 30,105 51,106 0.294,107 0.649,108 0.769,109 0.85,110 0.871,111 0.877,112 3.531,113 0.836,114 -4.79,115 -4.7,116 -4.42,119 41.5,121 1,124 1,125 1,132 1,142 8,143 2,144 3,147 2,148 1,157 1,159 1,172 8,174 1,175 2,178 4,179 1,180 5,183 9,187 2,188 2,191 2,193 4,196 6,200 7,203 2,204 1,205 7,208 2,213 7,218 8,225 6,228 1,230 7,233 4,238 4,243 2,246 8,249 1,250 1,253 1,254 1,255 1,258 8,267 2,268 1,272 4,276 1833,277 22.013,278 22.013,279 22.013,280 22.013,281 22.013,282 19.553,283 32.729,284 12.848,285 22.686,286 17.737,287 17.737,288 17.737,289 17.737,290 17.737,291 13.895,292 51.248,293 6.02,294 18.863,295 3.942,296 1.791,297 1.062,298 0.571,299 0.444,300 0.406,301 4.226,305 1,306 1,307 967,308 4,312 328.167,313 104.956,317 174.866,319 2.237,320 50.497,323 1,324 0.83,325 1,326 0.6,328 1,329 1,330 0.78,331 75,332 450,333 4.453,334 4.46,335 7.116,336 4.18,337 3.32,338 4.102,339 3.825,340 11.69,341 2.932,342 4.442,343 3.562,344 6.537,345 4.027,346 3.075,347 3.869,348 1.656,349 10.325,350 2.898,351 4.169,352 3.328,353 6.107,354 3.78,355 2.803,356 3.759,357 0.986,358 8.929,359 2.73,360 3.916,361 2.951,362 5.577,363 3.586,364 2.63,365 3.214,366 0.4,367 7.669,368 2.492,369 3.739,370 2.603,371 5.346,372 3.351,373 2.393,374 3.081,375 0.4,376 6.997,377 2.271,378 3.4,379 2.489,380 5.184,381 3.019,382 2.097,383 2.624,384 0.247,385 6.14,386 1.939,387 3.366,388 2.307,389 4.751,390 2.943,391 1.962,392 2.601,394 5.298,395 1.893,396 3.023,397 1.845,398 4.465,399 2.54,400 1.59,401 2.201,403 4.414,404 1.509,405 2.871,406 1.801,407 4.365,408 2.422,409 1.472,410 1.988,412 4.11,413 1.376,414 2.76,415 1.654,416 4.074,417 2.366,418 1.42,419 1.828,421 3.481,422 1.334,423 2.57,424 1.357,425 3.505,426 2.098,427 1.176,428 1.6,430 2.613,431 1.081,432 2.5,433 1.189,434 3.488,435 2.09,436 1.111,437 1.5,439 2.535,440 1.076,441 2.393,442 1,443 3.414,444 2,445 1,446 1.363,448 2.275,449 1,450 1.696,451 0.812,452 3.015,453 1.459,454 0.541,455 0.604,457 0.978,458 0.496,459 1.351,460 0.648,461 2.882,462 1.058,463 0.115,464 0.133,466 0.277,467 0.108,468 14.99,469 0.454,470 0.928,471 0.028,472 46,473 1.394,474 23.5,475 0.712,476 22.5,477 0.682,478 24.796,479 0.751,480 36.01,481 0.679,482 38.839,483 1.177,484 9.359,485 0.284,486 6.47,487 0.196,488 0.113,489 0.033,490 0.3,493 3,496 0.669,497 1.122,498 0.66,499 1.035,500 0.593,501 0.882,502 0.437,503 0.796,504 0.704,505 0.944,506 0.378,507 0.929,508 0.684,509 0.944,510 0.813,511 1.021,512 0.576,513 0.975,514 1.013,515 1.048,516 1.068,517 1.095,518 0.931,519 1.091,520 0.934,521 0.887,522 1.067,523 1.035,524 0.924,525 1.079,526 0.994,527 0.808,528 1.128,529 0.916,530 0.934,531 1.019,532 0.412,533 0.683,534 0.878,535 0.973,536 0.353,537 1.068,538 0.625,539 0.751,540 0.89,541 0.961,542 0.623,543 1.012,544 8,545 0.18,546 3.778,547 2.313,548 1.676,549 1.268,550 0.714,551 0.301,552 0.375,553 0.258,554 16905,555 59832,556 2.054,557 37.7,559 13,561 1,562 4,563 2,567 1.747,568 1.913,569 3.715,570 1.633,572 1,577 94.627,578 1.785,579 3.937,580 4.666,581 5.157,582 5.284,583 5.322,584 3.11,585 4.779,586 5.019,587 3.948,588 2084.57,589 8.755,590 32725.3,595 303.58,596 1.554,597 4.964,598 0.222,599 0.007,600 0.074,601 0.042,602 0.034,603 0.028,604 0.019,605 0.008,606 0.013,607 0.009,608 0.456,610 1,611 0.81,612 178.376,613 -0.091,614 -0.14,615 0.011,616 -0.023,617 -0.098,618 0.026,619 0.406,620 0.253,621 0.113,622 0.046,623 0.414,624 -0.014,625 -0.029,626 -0.108,627 0.036,628 -0.06,629 0.011,630 -0.008,631 -0.137,632 -0.104,633 -0.136,634 -0.13,635 -0.086,636 -0.126,637 -0.078,638 -0.026,639 -0.134,640 -0.086,641 -0.07,642 -0.117,643 -0.165,644 0.012,645 -0.138,646 0.041,647 -0.125,648 -0.007,649 0.32,650 0.097,651 0.079,653 0.354,654 -0.038,655 0.052,656 0.012,657 0.105,658 0.041,659 0.005,660 0.078,661 5.735,662 5.226,663 0.697,664 36.562,665 1.031,666 1.152,667 3.56,668 12.676,669 0.668,670 3.611,671 3.951,672 4.174,673 4.407,674 4.635,675 4.71,676 4.82,677 4.86,678 4.977,679 5.088,680 8.343,681 0.665,682 455.49,683 3.611,684 5.165,685 6.004,686 6.884,687 7.739,688 8.619,689 9.48,690 10.358,691 11.223,692 12.1,693 13.2,698 2,700 2,702 1,703 2,709 9,710 2,714 7,716 18,719 1,728 2,735 53,737 20,738 2,739 36,741 56,742 22,743 16,744 4,745 8,746 1,748 4,749 5,753 1,754 1,757 1,759 1,760 1,762 18,763 4,767 2,772 1,775 1,776 2,780 1,781 3,783 20,784 11,785 4,786 11,792 7,797 0.75,798 1,810 1,816 3,817 1,821 1,843 3,847 1,849 3,851 33,858 2,860 4,865 1,873 3,874 1.9,877 1,881 17.25,882 9.695,883 7.167,884 2.968,886 3.764,887 1.467,888 1.009,889 6.59,890 11.831,891 3.871,892 4.46,893 4.992,894 5.545,895 6.071,896 6.271,897 6.613,898 6.897,899 7.249,900 7.632,901 0.889,902 55,903 12.628,905 5.846,906 8.205,907 22.27,909 17.924,911 2.705,912 89.25,915 1,916 188.338,917 131.555,918 122.4,920 25.145,921 44.88,923 131.555,924 213.483,925 167.28,926 8.396,927 40.662,928 75.81,929 109.265,930 84.926,931 8.932,932 176.567,933 7.76,934 188.338,935 253.954,936 70.025,939 188.338,940 70.025,943 73.825,944 110.536,945 69.593,947 233.218,948 147.545,949 131.555,952 196.097,953 30.97,954 92.825,955 72.043,956 120.382,957 188.338,958 192.425,959 131.555,961 0.586,962 0.334,963 0.176,964 0.097,965 24,966 11,967 0.071,968 4,969 1,970 1.087,971 4.387,972 298.188,973 0.087,974 23,975 157.71,981 22.717,982 9.573,983 5.482,985 192.425,986 12.92,987 8.424,991 2.423,993 72.043,994 512.317,995 47,1000 12.226,1003 4.73,1004 0.176,1007 54.647,1008 61.038,1009 0.312,1010 0.687,1011 0.815,1012 0.9,1013 0.923,1014 0.929,1015 5.121,1016 1.59,1017 6.019,1018 5.298,1019 4.635,1020 5.147,1021 3.34,1022 6.845,1023 4.518,1024 6.342,1025 1.472,1026 7.594,1027 4.414,1028 4.369,1029 4.966,1030 3.949,1031 7.947,1032 4.111,1033 7.66,1034 1.42,1035 9.279,1036 4.11,1037 6.29,1038 7.309,1039 5.473,1040 10.948,1041 6.038,1042 9.012,1043 1.176,1044 11.03,1045 3.481,1046 6.815,1047 7.875,1048 6.701,1049 12.859,1050 6.404,1051 10.392,1052 1.111,1053 12.826,1054 2.613,1055 8.25,1056 9.735,1057 8.066,1058 15.444,1059 7.828,1060 11.792,1061 1,1062 14.652,1063 2.535,1064 9.127,1065 10.664,1066 9.391,1067 17.669,1068 8.552,1069 13.209,1070 0.541,1071 16.502,1072 2.275,1073 10.382,1074 12.3,1075 10.736,1076 20.135,1077 9.764,1078 3.32,1079 0.115,1080 18.369,1081 0.978,1082 11.418,1083 13.426,1084 12.075,1085 22.483,1086 10.659,1087 3.075,1088 11.69,1089 20.251,1090 0.277,1091 12.609,1092 14.947,1093 13.417,1094 24.919,1095 11.78,1096 2.803,1097 10.325,1098 22.144,1099 4.102,1100 13.717,1101 16.182,1102 14.758,1103 27.318,1104 12.757,1105 2.63,1106 8.929,1107 24.046,1108 3.869,1109 14.888,1110 17.641,1111 16.1,1112 29.75,1113 13.839,1114 2.393,1115 7.669,1116 25.956,1117 3.759,1118 16.03,1119 18.94,1120 17.441,1121 32.172,1122 14.857,1123 2.097,1124 6.997,1125 27.873,1126 3.214,1127 17.199,1128 20.366,1129 18.783,1130 34.608,1131 15.923,1132 1.962,1133 6.14,1134 29.795,1135 3.081,1136 18.358,1137 21.702,1138 20.124,1139 37.042,1140 16.961,1141 16118,1142 30599,1143 23.75,1144 35.398,1145 54.133,1146 53.975,1147 54.652,1148 53.589,1149 53.409,1150 68.934,1151 15.029,1152 155.463,1153 50.269,1154 5.356,1155 6.46,1156 6.723,1157 5.254,1158 5.32,1159 7.102,1160 5.335,1161 18.668,1162 4.932,1163 17.723,1164 1.504,1165 1.499,1166 1.518,1167 1.489,1168 1.484,1169 1.915,1170 0.417,1171 4.318,1172 1.396,1173 4.016,1174 4.058,1175 3.973,1176 3.913,1177 8.513,1178 3.92,1179 3.933,1180 3.967,1181 3.894,1182 3.845,1183 7.999,1184 3.849,1185 3.845,1186 3.889,1187 3.8,1188 3.695,1189 7.999,1190 3.72,1191 3.538,1192 3.608,1193 3.476,1194 3.346,1195 7.431,1196 3.357,1197 3.438,1198 3.494,1199 3.371,1200 3.151,1201 5.049,1202 3.203,1203 3.289,1204 3.379,1205 3.249,1206 3.014,1207 4.774,1208 3.043,1209 3.258,1210 3.318,1211 3.114,1212 2.977,1213 4.707,1214 3.003,1215 3.06,1216 3.138,1217 2.939,1218 2.843,1219 4.418,1220 2.856,1221 0.124,1222 0.124,1223 0.198,1224 0.116,1225 0.092,1226 4.453,1227 0.114,1228 4.46,1229 0.106,1230 7.116,1231 0.325,1232 4.18,1233 0.081,1234 3.32,1235 4.102,1236 3.825,1237 11.69,1238 2.932,1239 1.932,1240 1.904,1241 2.029,1242 2.042,1243 1.187,1244 2.036,1245 1.899,1246 1.873,1247 1.997,1248 2.003,1249 1.099,1250 1.997,1251 1.757,1252 1.706,1253 1.843,1254 1.963,1255 1.013,1256 1.937,1257 1.558,1258 1.495,1259 1.775,1260 1.766,1261 0.851,1262 1.771,1263 1.293,1264 1.234,1265 1.59,1266 1.608,1267 0.613,1268 1.593,1269 1.249,1270 1.154,1271 1.398,1272 1.551,1273 0.373,1274 1.525,1275 1.08,1276 1.038,1277 1.208,1278 1.406,1279 0.279,1280 1.324,1281 0.993,1282 0.922,1283 1.197,1284 1.26,1285 0.245,1286 1.242,1287 4.29,1289 5.624,1291 7.14,1292 2.708,1293 8.736,1294 5.198,1295 10.373,1297 1.758,1299 38.523,1303 1.299,1305 11.256,1310 -4.485,1314 35.229,1315 94.627,1316 208.644,1317 247.315,1318 273.315,1319 280.07,1320 282.07,1321 71.252,1322 8.067,1323 103.33,1324 103.33,1325 25,1326 12.64,1327 4.392,1328 3.585,1329 54.775,1330 171,1331 130,1332 0.157,1333 215.178,1334 381.98,1335 516.794,1336 41858,1337 5.7,1338 23.424,1339 0.71,1340 0.53,1341 20.924,1342 17.494,1343 15.83,1344 0.44,1345 0.279,1346 9.816,1347 14.993,1348 9.674,1349 7.998,1350 14.619,1351 10.032,1352 14.903,1353 0.292,1354 0.14,1355 12.945,1356 7.14,1357 11.647,1358 0.182,1359 0.076,1360 10.684,1361 4.884,1362 9.665,1363 0.119,1364 0.041,1365 9.147,1366 3.309,1367 7.892,1368 0.077,1369 0.022,1370 7.252,1371 2.209,1372 0.255,1373 100.951,1374 0.205,1375 31.19,1376 0.409,1377 174,1378 718.336,1379 206.275,1380 616.301,1381 814.06,1382 572,1383 202,1384 580.988,1385 227.404,1386 568.786,1387 848.75,1388 534,1389 5.6}
{0 CHEMBL1981720,1 1.633,2 8.7,3 0.947,4 0.897,5 72.412,6 8.558,7 0.773,8 3.572,9 3.691,10 3.256,11 3.118,12 4.83,13 3.138,14 4.002,15 4.148,16 3.567,17 3.447,18 5.296,19 3.445,20 4.201,21 4.397,22 3.55,23 3.504,24 5.388,25 3.485,26 4.128,27 4.327,28 3.439,29 3.384,30 5.376,31 3.352,32 4.09,33 4.296,34 3.332,35 3.257,36 5.401,37 3.238,38 3.955,39 4.171,40 3.177,41 3.097,42 5.273,43 3.077,44 3.747,45 3.956,46 3.006,47 3.006,48 4.945,49 2.977,50 3.632,51 3.838,52 2.939,53 2.966,54 4.786,55 2.92,56 0.062,57 0.515,58 4.588,59 2.191,60 4.935,61 2.519,62 0.221,63 0.768,64 7.911,65 3.433,66 15.737,67 4.155,68 0.278,69 0.87,70 12.088,71 4.279,72 29.578,73 5.176,74 0.245,75 0.779,76 11.334,77 4.294,78 23.22,79 5.467,80 0.294,81 0.704,82 11.851,83 3.995,84 32.895,85 4.857,86 0.284,87 0.596,88 11.061,89 3.639,90 34.925,91 4.493,92 0.19,93 0.512,94 8.523,95 2.885,96 25.246,97 3.512,98 0.138,99 0.489,100 6.928,101 2.595,102 15.102,103 3.339,104 2,105 29,106 0.302,107 0.577,108 0.763,109 0.892,110 0.916,111 0.916,112 3.057,113 0.819,114 -2.08,115 -2.12,116 -2.11,119 45.2,142 5,143 1,144 1,145 4,146 1,147 1,159 1,172 4,175 3,178 3,179 1,180 2,183 5,187 1,188 2,191 1,193 1,196 3,199 1,200 3,203 2,205 4,208 2,212 1,213 1,216 1,218 2,221 1,224 1,225 4,228 1,230 2,238 4,243 1,249 1,250 3,263 1,264 3,276 470,277 13.845,278 13.845,279 13.845,280 13.845,281 13.845,282 11.652,283 11.723,284 8.526,285 14.137,286 10.915,287 10.915,288 10.915,289 10.915,290 10.915,291 7.741,292 18.33,293 4.087,294 11.367,295 3.321,296 1.835,297 0.826,298 0.129,301 3.744,305 1,306 1,307 379,308 2.646,312 160.239,316 82.612,319 1.26,320 16.793,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 43.5,332 174,333 4.499,334 3.569,335 6.513,336 4.022,337 3.043,338 4.432,339 1.656,340 10.233,341 2.979,342 3.964,343 3.028,344 5.512,345 3.561,346 2.617,347 3.477,348 0.247,349 7.452,350 2.464,351 3.631,352 2.535,353 5.238,354 3.195,355 2.236,356 2.996,358 6.459,359 2.135,360 3.327,361 2.135,362 4.703,363 2.851,364 1.865,365 2.591,367 5.052,368 1.829,369 3.118,370 1.618,371 4.124,372 2.585,373 1.618,374 2.427,376 3.752,377 1.562,378 2.853,379 1.519,380 3.601,381 2.347,382 1.397,383 1.992,385 3.008,386 1.323,387 2.766,388 1.278,389 3.564,390 2.259,391 1.268,392 1.897,394 2.815,395 1.256,396 2.5,397 1.025,398 3.309,399 1.916,400 1,401 1.5,403 2.136,404 0.915,405 2.342,406 1,407 3.247,408 1.858,409 0.884,410 1.265,412 2.06,413 0.859,414 1.325,415 0.565,416 2.83,417 0.966,418 0.034,419 0.042,421 0.09,422 0.032,423 1.174,424 0.221,425 2.374,426 0.723,427 -0.261,428 -0.355,430 -0.612,431 -0.253,432 0.882,433 -0.416,434 2.179,435 0.361,436 -0.618,437 -0.927,439 -1.478,440 -0.603,441 0.74,442 -0.618,443 2,444 0.263,445 -0.738,446 -1.046,448 -1.827,449 -0.727,450 0.5,451 -0.759,452 1.799,453 -0.017,454 -1,455 -1.417,457 -2.258,458 -0.931,459 0.482,460 -1,461 1.555,462 -0.059,463 -1,464 -1.5,466 -2.347,467 -0.977,468 9.333,469 0.467,470 0.346,471 0.017,472 32.25,473 1.613,474 18.5,475 0.925,476 13.75,477 0.688,478 9.706,479 0.485,480 20.067,481 0.647,482 20.425,483 1.021,484 6.583,485 0.329,486 3.243,487 0.162,488 0.036,490 0.268,496 0.839,497 1.339,498 0.676,499 0.971,500 0.605,501 0.814,502 0.626,503 1.116,504 0.856,505 1.025,506 0.602,507 0.989,508 1.173,509 0.966,510 1.048,511 0.917,512 1.106,513 0.944,514 0.881,515 1.072,516 0.989,517 1.156,518 0.867,519 1.106,520 1.391,521 0.981,522 1.094,523 1.041,524 1.595,525 1.022,526 1.427,527 0.897,528 1.009,529 0.923,530 1.768,531 0.911,532 1.422,533 0.942,534 1.042,535 0.825,536 1.553,537 0.862,538 0.839,539 1.001,540 0.993,541 0.96,542 0.7,543 0.994,544 3,545 0.016,546 1.556,547 1.125,548 0.787,549 0.382,550 0.283,551 0.141,552 0.057,553 0.038,554 4018,555 12225,556 2.138,557 35.5,559 5,561 4,562 2,567 1.616,568 2.069,569 3.118,570 0.41,572 1,574 1,577 50.614,578 1.633,579 3.119,580 4.128,581 4.825,582 4.954,583 4.954,584 2.485,585 3.384,586 4.298,587 3.237,588 615.075,589 7.331,590 6340.91,591 1,592 1,595 153.58,596 1.076,597 4.283,598 0.136,599 0.003,600 0.054,601 0.04,602 0.033,603 0.018,604 0.016,605 0.009,606 0.004,607 0.003,608 0.316,609 0.67,610 1,611 0.432,612 88.863,613 -0.127,614 -0.227,615 0.027,616 -0.053,617 -0.084,618 0.007,619 0.209,620 -0.022,621 -0.077,622 -0.116,623 0.063,624 -0.151,625 -0.171,626 0.049,627 -0.119,628 0.015,629 -0.161,630 -0.029,631 0.103,632 -0.104,633 -0.03,634 -0.196,635 0.114,636 -0.15,637 -0.084,638 -0.048,639 -0.062,640 -0.081,641 -0.041,642 -0.067,643 -0.042,644 -0.003,645 0.074,646 0.061,647 -0.022,648 0.083,649 -0.283,650 -0.008,651 -0.031,652 0.157,653 -0.231,654 0.119,655 -0.067,656 -0.012,657 -0.058,658 0.007,659 -0.066,660 -0.022,661 2.04,662 4.915,663 0.8,664 13.3,665 1.016,666 1.127,667 0.845,668 0.715,669 0.702,670 3.135,671 3.401,672 3.638,673 3.892,674 4.078,675 3.97,676 4.025,677 4.094,678 4.094,679 3.97,680 5.233,681 0.69,682 265.3,683 3.135,684 4.635,685 5.46,686 6.312,687 7.152,688 8.011,689 8.857,690 9.718,691 10.568,692 11.431,693 16.1,700 2,703 3,708 2,709 9,710 3,714 2,716 17,735 31,737 18,738 1,739 22,741 33,742 14,743 13,744 2,745 4,748 3,749 4,753 1,762 14,767 1,772 1,776 1,779 1,780 1,783 11,784 6,785 2,786 6,792 5,797 0.667,798 1,806 1,809 1,816 3,820 1,843 2,851 20,860 2,874 3.2,877 1,881 9.667,882 5.517,883 4.472,884 1.672,886 3.256,887 1.494,888 1.015,889 3.42,890 9.852,891 3.481,892 4.078,893 4.656,894 5.264,895 5.812,896 5.915,897 6.25,898 6.603,899 6.885,900 6.688,901 0.833,902 28,903 7.308,905 3.049,906 7.867,907 13.612,909 10.671,911 2.367,912 47.333,916 105.94,917 97.649,918 86.378,920 25.145,923 97.649,924 131.085,925 86.378,927 36.022,928 47.381,929 122.586,930 43.664,931 6.604,932 58.856,934 105.94,935 184.027,936 25.145,939 105.94,940 25.145,943 74.355,944 59.315,945 50.357,947 105.94,948 111.523,949 97.649,952 105.94,953 14.078,954 83.571,955 36.022,956 75.502,957 105.94,958 111.523,959 97.649,961 0.563,962 0.324,963 0.186,964 0.1,965 14,966 5,967 0.061,968 2,969 1,970 1.125,971 3.356,972 146.071,973 0.125,974 16,975 86.439,981 12.363,982 5.532,983 2.855,984 1.703,985 111.523,986 15.524,987 12.095,991 1.084,993 36.022,994 315.111,995 31.5,1000 11.915,1004 -0.373,1007 31.487,1008 34.947,1009 0.33,1010 0.63,1011 0.833,1012 0.974,1013 1,1014 1,1015 4.656,1016 1,1017 5.398,1018 2.815,1019 4.078,1020 4.762,1021 1.758,1022 6.142,1023 4.001,1024 5.848,1025 0.884,1026 6.903,1027 2.136,1028 3.434,1029 4.388,1030 1.195,1031 6.899,1032 3.35,1033 7.13,1034 0.034,1035 8.512,1036 2.06,1037 5.587,1038 6.976,1039 2.415,1040 10.018,1041 5.439,1042 8.451,1043 -0.261,1044 10.187,1045 0.09,1046 5.802,1047 7.489,1048 2.324,1049 11.685,1050 5.649,1051 9.806,1052 -0.618,1053 11.908,1054 -0.612,1055 7.382,1056 9.5,1057 3.244,1058 14.288,1059 7.177,1060 11.186,1061 -0.738,1062 13.661,1063 -1.478,1064 8.038,1065 10.486,1066 3.407,1067 16.336,1068 7.829,1069 12.588,1070 -1,1071 15.438,1072 -1.827,1073 9.349,1074 12.218,1075 4.156,1076 18.761,1077 9.101,1078 3.043,1079 -1,1080 17.234,1081 -2.258,1082 10.231,1083 13.456,1084 4.464,1085 20.968,1086 9.977,1087 2.617,1088 10.233,1089 19.044,1090 -2.347,1091 11.42,1092 15.055,1093 5.111,1094 23.33,1095 11.136,1096 2.236,1097 7.452,1098 20.866,1099 4.432,1100 12.415,1101 16.42,1102 5.504,1103 25.604,1104 12.121,1105 1.865,1106 6.459,1107 22.697,1108 3.477,1109 13.551,1110 17.957,1111 6.091,1112 27.943,1113 13.234,1114 1.618,1115 5.052,1116 24.535,1117 2.996,1118 14.601,1119 19.385,1120 6.531,1121 30.246,1122 14.272,1123 1.397,1124 3.752,1125 26.379,1126 2.591,1127 15.716,1128 20.894,1129 7.083,1130 32.576,1131 15.367,1132 1.268,1133 3.008,1134 28.229,1135 2.427,1136 16.795,1137 22.353,1138 7.551,1139 34.892,1140 16.43,1141 3849,1142 6827,1143 15.197,1144 21.767,1145 32.227,1146 32.985,1147 32.552,1148 31.85,1149 31.923,1150 45.24,1151 3.806,1152 86.116,1153 30.705,1154 5.365,1155 5.569,1156 6.315,1157 5.091,1158 5.043,1159 7.432,1160 2.912,1161 17.066,1162 4.979,1163 5.127,1164 1.465,1165 1.499,1166 1.48,1167 1.448,1168 1.451,1169 2.056,1170 0.173,1171 3.914,1172 1.396,1173 4.069,1174 4.099,1175 4.031,1176 3.993,1177 7.431,1178 3.998,1179 3.834,1180 3.893,1181 3.789,1182 3.638,1183 5.017,1184 3.668,1185 3.515,1186 3.564,1187 3.445,1188 3.376,1189 4.984,1190 3.379,1191 3.342,1192 3.394,1193 3.267,1194 3.075,1195 4.397,1196 3.125,1197 2.988,1198 3.053,1199 2.898,1200 2.843,1201 4.147,1202 2.847,1203 2.811,1204 2.875,1205 2.681,1206 2.654,1207 4.036,1208 2.655,1209 2.664,1210 2.736,1211 2.54,1212 2.569,1213 3.839,1214 2.556,1215 2.611,1216 2.705,1217 2.521,1218 2.285,1219 3.538,1220 2.328,1221 0.204,1222 0.162,1223 0.296,1224 0.183,1225 0.138,1226 4.499,1227 0.201,1228 3.569,1229 0.075,1230 6.513,1231 0.465,1232 4.022,1233 0.135,1234 3.043,1235 4.432,1236 1.656,1237 10.233,1238 2.979,1239 2.031,1240 2.006,1241 2.107,1242 2.125,1243 1.213,1244 2.12,1245 1.738,1246 1.682,1247 1.837,1248 1.955,1249 0.755,1250 1.925,1251 1.478,1252 1.433,1253 1.641,1254 1.659,1255 0.666,1256 1.647,1257 1.217,1258 1.166,1259 1.364,1260 1.501,1261 0.298,1262 1.474,1263 0.966,1264 0.91,1265 1.189,1266 1.157,1267 0.234,1268 1.168,1269 0.797,1270 0.74,1271 1.063,1272 1.009,1273 0.075,1274 1.035,1275 0.683,1276 0.632,1277 0.926,1278 0.872,1279 0.012,1280 0.881,1281 0.498,1282 0.39,1283 0.8,1284 0.821,1286 0.838,1287 3.807,1289 5.081,1291 6.567,1293 8.148,1295 9.778,1305 5.387,1314 21.402,1315 50.614,1316 96.686,1317 127.97,1318 149.58,1319 153.58,1320 153.58,1321 23.203,1322 6.596,1323 79.8,1324 79.8,1325 18,1326 11.982,1327 4.248,1328 3.392,1329 30.012,1330 63,1331 58,1332 0.235,1333 134.504,1334 221.01,1335 319.95,1336 6080,1338 13.786,1339 0.689,1340 0.522,1341 13.786,1342 10.446,1343 9.826,1344 0.447,1345 0.273,1346 5.909,1347 9.418,1348 5.82,1349 4.849,1350 9.826,1351 6.006,1352 8.48,1353 0.292,1354 0.139,1355 8.48,1356 4.045,1357 6.889,1358 0.186,1359 0.073,1360 6.889,1361 2.702,1362 5.969,1363 0.124,1364 0.038,1365 5.969,1366 1.838,1367 4.795,1368 0.083,1369 0.02,1370 4.795,1371 1.181,1372 0.365,1373 61.761,1374 0.257,1375 20.017,1376 0.65,1377 102,1378 331.337,1379 113.373,1380 324.732,1381 444.16,1382 304,1383 117,1384 328.186,1385 127.57,1386 332.494,1387 479.45,1388 313,1389 5.9}
{0 CHEMBL1981725,1 1.537,2 18,3 7.069,4 49.964,5 177.726,6 7.757,7 0.654,8 4.48,9 4.603,10 4.092,11 4.042,12 5.599,13 4.031,14 5.003,15 5.175,16 4.462,17 4.432,18 6.104,19 4.406,20 5.269,21 5.483,22 4.538,23 4.582,24 6.331,25 4.53,26 5.322,27 5.54,28 4.501,29 4.6,30 6.376,31 4.53,32 5.352,33 5.591,34 4.527,35 4.608,36 6.447,37 4.536,38 5.285,39 5.505,40 4.518,41 4.594,42 6.369,43 4.531,44 5.244,45 5.452,46 4.466,47 4.567,48 6.314,49 4.495,50 5.236,51 5.462,52 4.42,53 4.505,54 6.309,55 4.433,56 0.029,57 1.294,58 14.719,59 6.593,60 9.513,61 8.507,62 0.308,63 2.116,64 27.978,65 10.832,66 28.668,67 14.388,68 0.493,69 2.634,70 40.493,71 14.442,72 54.758,73 19.527,74 0.418,75 2.686,76 43.438,77 16.116,78 65.787,79 21.546,80 0.63,81 2.65,82 46.854,83 16.916,84 98.225,85 23.385,86 0.496,87 2.557,88 41.771,89 15.305,90 67.01,91 20.905,92 0.42,93 2.514,94 39.042,95 15.167,96 52.337,97 20.324,98 0.406,99 2.44,100 39.986,101 14.664,102 59.677,103 20.16,104 11,105 73,106 0.23,107 0.533,108 0.697,109 0.844,110 0.877,111 0.877,112 3.853,113 0.887,114 -5.33,115 -5.21,116 -4.87,119 45.6,120 1,125 5,142 16,143 2,144 4,145 1,146 2,150 1,151 1,152 1,158 1,161 1,172 13,174 2,175 10,178 3,180 4,183 11,187 2,188 10,193 6,196 6,199 1,200 14,205 4,208 3,212 1,213 17,216 2,218 1,221 12,224 2,225 8,228 2,230 1,233 18,237 3,238 7,241 1,243 4,246 17,249 1,250 10,253 2,255 5,258 10,264 9,269 3,272 11,276 5486,277 31.902,278 31.902,279 31.902,280 31.902,281 31.902,282 27.829,283 30.651,284 18.806,285 32.582,286 25.656,287 25.656,288 25.656,289 25.656,290 25.656,291 19.545,292 46.372,293 8.888,294 26.782,295 4.767,296 2.738,297 1.64,298 0.663,299 0.44,300 0.44,301 4.576,306 1,307 1845,308 3.606,311 103.808,312 858.771,315 200.852,319 2.783,320 40.108,323 0.75,324 0.5,325 0.83,326 0.5,327 0.5,328 0.83,329 1,330 0.7,331 98.5,332 828,333 4.73,334 3.586,335 7.02,336 4.275,337 3.322,338 4.664,339 1.058,340 12.06,341 3.172,342 4.269,343 3.318,344 6.185,345 3.898,346 2.917,347 3.868,348 0.8,349 9.155,350 2.863,351 4.169,352 3.148,353 6.15,354 3.841,355 2.895,356 3.752,357 0.8,358 9.083,359 2.742,360 4.116,361 3.091,362 6.017,363 3.688,364 2.724,365 3.745,366 0.4,367 8.56,368 2.616,369 4.039,370 2.848,371 5.858,372 3.611,373 2.68,374 3.625,376 8.146,377 2.491,378 3.804,379 2.709,380 5.773,381 3.422,382 2.47,383 3.214,385 7.847,386 2.367,387 3.702,388 2.592,389 5.505,390 3.39,391 2.415,392 2.98,394 7.277,395 2.333,396 3.475,397 2.452,398 5.297,399 3.251,400 2.309,401 2.753,403 6.767,404 2.163,405 3.364,406 2.118,407 5.043,408 2.964,409 2.017,410 2.461,412 5.973,413 1.903,414 3.136,415 1.934,416 4.568,417 2.657,418 1.684,419 2.397,421 4.522,422 1.633,423 2.976,424 1.861,425 4.55,426 2.479,427 1.528,428 2.185,430 4.376,431 1.455,432 2.927,433 1.64,434 4.324,435 2.464,436 1.489,437 2.112,439 4.038,440 1.445,441 2.864,442 1.503,443 4.269,444 2.382,445 1.421,446 2.02,448 3.824,449 1.36,450 2.805,451 1.497,452 3.878,453 2.377,454 1.414,455 1.928,457 3.094,458 1.353,459 2.686,460 1.469,461 3.609,462 2.329,463 1.339,464 1.752,466 2.939,467 1.315,468 21.819,469 0.474,470 0.965,471 0.021,472 66.25,473 1.44,474 35,475 0.761,476 31.25,477 0.679,478 39.155,479 0.851,480 47.181,481 0.597,482 58.91,483 1.281,484 13.172,485 0.286,486 9.38,487 0.204,488 0.051,490 0.33,494 1,496 0.729,497 1.269,498 0.729,499 1.035,500 0.558,501 0.906,502 0.798,503 1.088,504 0.856,505 0.975,506 0.554,507 0.925,508 1.02,509 0.986,510 0.951,511 0.921,512 0.811,513 0.914,514 1.103,515 1.099,516 1.021,517 1.052,518 1.069,519 1.028,520 0.807,521 0.853,522 0.823,523 0.849,524 0.747,525 0.837,526 0.869,527 0.891,528 0.899,529 0.89,530 0.793,531 0.893,532 0.894,533 1.046,534 0.997,535 1.064,536 0.915,537 1.051,538 0.863,539 1.042,540 0.944,541 1.027,542 0.76,543 0.998,544 8,545 0.338,546 4.889,547 2.917,548 2.548,549 1.375,550 0.967,551 0.83,552 0.548,553 0.354,554 42981,555 105678,556 2.182,557 41.8,559 26,560 1,561 1,562 2,564 3,567 1.833,568 2.091,569 4.057,570 0.083,577 121.416,578 1.537,579 3.566,580 4.663,581 5.641,582 5.864,583 5.864,584 3.593,585 5.263,586 5.487,587 4.258,588 4406.95,589 9.74,590 85862.2,595 497.999,596 1.22,597 5.476,598 0.154,599 0.006,600 0.067,601 0.038,602 0.035,603 0.018,604 0.013,605 0.012,606 0.008,607 0.006,608 0.355,609 0.17,610 0.75,611 0.497,612 272.506,613 -0.033,614 -0.202,615 0.061,616 -0.064,617 -0.036,618 -0.002,619 0.055,620 -0.037,621 0.02,622 -0.033,623 0.061,624 -0.019,625 -0.037,626 0.038,627 0.003,628 0.034,629 0.042,630 0.03,631 -0.092,632 -0.096,633 -0.052,634 -0.071,635 -0.037,636 -0.057,637 0.105,638 0.066,639 0.168,640 0.134,641 0.174,642 0.158,643 0.001,644 0.046,645 0.054,646 0.077,647 0.025,648 0.075,649 0.006,650 -0.047,651 -0.057,652 -0.08,653 -0.048,654 -0.08,655 0.019,656 -0.082,657 0.021,658 -0.056,659 0.047,660 -0.024,661 2.163,662 6.209,663 0.848,664 72.839,665 1.002,666 1.126,667 4.098,668 16.796,669 0.688,670 3.97,671 4.304,672 4.615,673 4.905,674 5.187,675 5.293,676 5.489,677 5.666,678 5.805,679 5.951,680 9.968,681 0.66,682 612.77,683 3.97,684 5.525,685 6.392,686 7.277,687 8.16,688 9.053,689 9.944,690 10.842,691 11.738,692 12.64,693 10.1,696 1,699 1,700 1,701 2,703 3,708 1,709 18,710 3,714 10,716 34,723 1,728 1,730 1,734 1,735 79,737 35,738 3,739 52,741 85,742 36,743 29,744 6,745 12,746 1,748 7,749 8,754 1,762 30,763 6,767 1,772 1,776 1,781 1,783 33,784 9,785 2,786 10,789 1,792 8,797 0.857,798 1,809 1,810 1,815 1,816 6,819 1,839 1,843 6,847 1,849 1,851 46,858 5,860 2,864 2,873 1,874 1.3,877 1,881 22,882 14.51,883 10.056,884 4.895,886 6.788,887 1.695,888 1.041,889 8.538,890 16.557,891 4.263,892 4.885,893 5.508,894 6.132,895 6.735,896 7.079,897 7.597,898 8.11,899 8.523,900 8.959,901 1,902 77,903 17.044,905 7.384,906 7.685,907 32.662,909 27.184,911 2.185,912 100.5,916 364.904,917 229.42,918 93.913,920 25.145,921 14.96,923 229.42,924 390.049,925 108.873,926 8.825,927 28.539,928 160.667,929 93.693,930 63.869,931 31.387,932 341.362,934 364.904,935 323.333,936 40.105,939 344.551,940 60.458,943 77.961,944 195.016,945 50.357,947 379.864,948 119.058,949 229.42,952 364.904,953 50.88,954 186.075,955 36.022,956 90.462,957 364.904,958 134.018,959 229.42,961 0.58,962 0.347,963 0.19,964 0.108,965 36,966 15,967 0.094,968 8,969 1,970 1.051,971 5.493,972 502.237,973 0.051,974 39,975 244.084,981 29.758,982 13.198,983 6.428,984 0.734,985 132.732,986 32.875,987 14.288,991 5.359,993 36.022,994 728.343,995 70,1000 13.095,1004 -0.417,1007 79.141,1008 88.933,1009 0.244,1010 0.566,1011 0.74,1012 0.895,1013 0.93,1014 0.93,1015 5.499,1016 2.309,1017 6.368,1018 7.277,1019 4.99,1020 5.574,1021 1.701,1022 7.186,1023 4.906,1024 6.704,1025 2.017,1026 7.926,1027 6.767,1028 4.511,1029 5.301,1030 0.57,1031 8.085,1032 4.362,1033 8.009,1034 1.684,1035 9.584,1036 5.973,1037 6.589,1038 7.786,1039 1.5,1040 11.21,1041 6.417,1042 9.35,1043 1.528,1044 11.303,1045 4.522,1046 6.957,1047 8.376,1048 0.479,1049 12.983,1050 6.722,1051 10.724,1052 1.489,1053 13.061,1054 4.376,1055 8.472,1056 10.306,1057 1.472,1058 15.628,1059 8.213,1060 12.124,1061 1.421,1062 14.848,1063 4.038,1064 9.24,1065 11.33,1066 0.346,1067 17.786,1068 8.922,1069 13.543,1070 1.414,1071 16.657,1072 3.824,1073 10.525,1074 13.018,1075 1.501,1076 20.289,1077 10.179,1078 3.322,1079 1.339,1080 18.482,1081 3.094,1082 11.491,1083 14.276,1084 0.237,1085 22.625,1086 11.091,1087 2.917,1088 12.06,1089 20.322,1090 2.939,1091 12.685,1092 15.855,1093 1.556,1094 25.096,1095 12.251,1096 2.895,1097 9.155,1098 22.173,1099 4.664,1100 13.749,1101 17.24,1102 0.158,1103 27.514,1104 13.266,1105 2.724,1106 9.083,1107 24.036,1108 3.868,1109 14.913,1110 18.777,1111 1.626,1112 29.983,1113 14.391,1114 2.68,1115 8.56,1116 25.907,1117 3.752,1118 16.029,1119 20.229,1120 0.104,1121 32.439,1122 15.458,1123 2.47,1124 8.146,1125 27.787,1126 3.745,1127 17.188,1128 21.753,1129 1.706,1130 34.915,1131 16.576,1132 2.415,1133 7.847,1134 29.675,1135 3.625,1136 18.331,1137 23.242,1138 0.068,1139 37.387,1140 17.672,1141 39253,1142 61987,1143 35.887,1144 54.336,1145 78.418,1146 79.507,1147 79.976,1148 78.061,1149 77.994,1150 104.149,1151 6.117,1152 224.902,1153 74.81,1154 5.73,1155 5.586,1156 6.707,1157 5.35,1158 5.322,1159 7.664,1160 2.117,1161 19.435,1162 5.172,1163 17.246,1164 1.508,1165 1.529,1166 1.538,1167 1.501,1168 1.5,1169 2.003,1170 0.118,1171 4.325,1172 1.439,1173 4.167,1174 4.21,1175 4.143,1176 4.039,1177 8.201,1178 4.058,1179 3.972,1180 4.021,1181 3.911,1182 3.862,1183 7.429,1184 3.868,1185 3.936,1186 3.967,1187 3.891,1188 3.84,1189 5.109,1190 3.847,1191 3.844,1192 3.873,1193 3.789,1194 3.778,1195 4.934,1196 3.777,1197 3.798,1198 3.862,1199 3.733,1200 3.62,1201 4.733,1202 3.639,1203 3.716,1204 3.769,1205 3.622,1206 3.569,1207 4.687,1208 3.574,1209 3.393,1210 3.479,1211 3.321,1212 3.233,1213 4.643,1214 3.248,1215 3.366,1216 3.405,1217 3.206,1218 3.192,1219 4.347,1220 3.178,1221 0.091,1222 0.069,1223 0.135,1224 0.082,1225 0.064,1226 4.73,1227 0.09,1228 3.586,1229 0.02,1230 7.02,1231 0.232,1232 4.275,1233 0.061,1234 3.322,1235 4.664,1236 1.058,1237 12.06,1238 3.172,1239 1.956,1240 1.93,1241 2.053,1242 2.091,1243 1.322,1244 2.078,1245 1.925,1246 1.89,1247 2.032,1248 2.061,1249 1.154,1250 2.055,1251 1.902,1252 1.863,1253 1.999,1254 2.031,1255 1.079,1256 2.025,1257 1.861,1258 1.833,1259 1.968,1260 1.963,1261 1.067,1262 1.963,1263 1.749,1264 1.691,1265 1.932,1266 1.937,1267 1.038,1268 1.938,1269 1.696,1270 1.643,1271 1.808,1272 1.847,1273 0.915,1274 1.844,1275 1.401,1276 1.316,1277 1.726,1278 1.628,1279 0.826,1280 1.665,1281 1.321,1282 1.284,1283 1.513,1284 1.514,1285 0.825,1286 1.48,1287 4.654,1289 5.984,1290 2.398,1291 7.514,1292 4.844,1293 9.128,1294 7.066,1295 10.786,1297 2.208,1299 14.209,1303 5.285,1305 6.011,1309 4.881,1314 52.118,1315 121.416,1316 281.715,1317 368.415,1318 445.634,1319 463.244,1320 463.244,1321 76.789,1322 9.77,1323 90.69,1324 90.69,1325 41,1326 13.162,1327 5.17,1328 4.248,1329 64.388,1330 264,1331 354,1332 0.112,1333 314.124,1334 537.42,1335 758.223,1336 348054,1337 1.3,1338 31.459,1339 0.684,1340 0.552,1341 30.589,1342 25.397,1343 22.551,1344 0.434,1345 0.296,1346 15.165,1347 21.754,1348 14.878,1349 12.293,1350 22.14,1351 15.367,1352 20.105,1353 0.275,1354 0.152,1355 19.587,1356 11.111,1357 17.722,1358 0.177,1359 0.083,1360 17.188,1361 8.256,1362 14.982,1363 0.112,1364 0.043,1365 14.71,1366 5.764,1367 12.771,1368 0.072,1369 0.023,1370 12.5,1371 4.007,1372 0.18,1373 140.562,1374 0.167,1375 40.526,1376 0.297,1377 250,1378 718.383,1379 273.447,1380 681.982,1381 951.97,1382 642,1383 298,1384 723.378,1385 322.844,1386 727.413,1387 1073.25,1388 689,1389 6.4}
{0 CHEMBL1981782,1 1.804,2 10.318,3 3.502,4 12.267,5 86.951,6 9.859,7 0.667,8 3.661,9 3.772,10 3.455,11 3.266,12 4.874,13 3.258,14 4.125,15 4.257,16 3.844,17 3.654,18 5.376,19 3.617,20 4.347,21 4.513,22 3.963,23 3.737,24 5.549,25 3.654,26 4.338,27 4.56,28 3.597,29 3.53,30 5.469,31 3.44,32 4.139,33 4.359,34 3.442,35 3.292,36 5.351,37 3.229,38 3.981,39 4.161,40 3.385,41 3.203,42 5.278,43 3.166,44 3.909,45 4.094,46 3.452,47 3.169,48 5.32,49 3.123,50 3.763,51 3.938,52 3.284,53 3.172,54 4.986,55 3.081,56 0.115,57 0.517,58 3.746,59 2.471,60 7.223,61 2.737,62 0.25,63 0.78,64 7.272,65 4.261,66 17.327,67 4.975,68 0.374,69 0.874,70 18.705,71 6.153,72 35.286,73 6.878,74 0.41,75 0.842,76 19.7,77 6.253,78 39.984,79 7.285,80 0.402,81 0.673,82 17.752,83 5.181,84 37.785,85 6.019,86 0.35,87 0.567,88 13.878,89 4.069,90 36.202,91 4.148,92 0.42,93 0.528,94 12.297,95 3.996,96 45.93,97 4.626,98 0.26,99 0.466,100 9.678,101 3.559,102 28.294,103 4.204,104 10,105 33,106 0.329,107 0.68,108 0.811,109 0.905,110 0.916,111 0.916,112 3.145,113 0.911,114 -4.33,115 -4.27,116 -4.03,119 44.1,125 1,142 6,143 2,144 3,145 1,152 1,159 1,168 1,172 5,175 1,178 2,179 1,180 5,183 6,188 2,193 6,196 8,200 4,205 4,208 2,213 4,216 1,217 1,218 5,225 1,230 2,233 2,237 1,238 1,241 2,242 1,243 1,246 6,250 1,255 1,258 6,264 1,269 1,272 4,276 634,277 14.74,278 14.74,279 14.74,280 14.74,281 14.74,282 12.619,283 14.116,284 8.684,285 15.134,286 11.838,287 11.838,288 11.838,289 11.838,290 11.838,291 8.671,292 19.189,293 4.152,294 12.59,295 3.283,296 1.35,297 0.633,298 0.118,299 0.059,300 0.059,301 3.826,302 2,304 1,305 1,306 1,307 492,308 3,311 55.925,312 137.982,315 96.601,319 1.591,320 20.581,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 47.667,332 227,333 4.427,334 3.552,335 6.195,336 3.928,337 2.947,338 4.366,339 1.659,340 9.267,341 2.889,342 4.216,343 3.318,344 5.951,345 3.745,346 2.831,347 3.87,348 0.564,349 8.325,350 2.595,351 3.811,352 2.94,353 5.432,354 3.458,355 2.5,356 3.157,357 0.133,358 7.193,359 2.376,360 3.531,361 2.604,362 5.211,363 3.145,364 2.213,365 2.84,367 6.435,368 1.986,369 3.355,370 2.315,371 4.757,372 2.914,373 1.93,374 2.588,376 5.299,377 1.834,378 3.034,379 2.136,380 4.359,381 2.517,382 1.534,383 2.301,385 4.201,386 1.507,387 2.82,388 1.534,389 4.042,390 2.306,391 1.414,392 1.949,394 3.525,395 1.199,396 2.588,397 1.236,398 3.452,399 2.067,400 1.103,401 1.628,403 2.456,404 1.06,405 1.966,406 1.131,407 3.222,408 1.63,409 0.698,410 0.812,412 1.625,413 0.632,414 1.868,415 0.738,416 3.025,417 1.425,418 0.459,419 0.655,421 1.098,422 0.439,423 1.32,424 0.615,425 2.698,426 0.876,427 0.089,428 0.104,430 0.195,431 0.056,432 1.147,433 0.301,434 2.377,435 0.719,436 -0.25,437 -0.321,439 -0.655,440 -0.234,441 0.761,442 0.02,443 2.307,444 0.291,445 -0.601,446 -0.761,448 -1.541,449 -0.435,450 0.636,451 -0.329,452 2.103,453 0.139,454 -0.857,455 -1.183,457 -2.33,458 -0.792,459 0.496,460 -0.682,461 1.763,462 0.004,463 -1,464 -1.306,466 -2.512,467 -0.859,468 10.862,469 0.494,470 0.558,471 0.025,472 30.25,473 1.375,474 16,475 0.727,476 14.25,477 0.648,478 14.903,479 0.677,480 22.738,481 0.669,482 19.906,483 0.905,484 6.176,485 0.281,486 4.438,487 0.202,488 0.162,490 0.322,496 0.708,497 1.061,498 0.517,499 0.701,500 0.575,501 0.703,502 0.612,503 1.094,504 0.626,505 0.83,506 0.542,507 0.887,508 0.997,509 1.208,510 0.896,511 1.075,512 0.979,513 1.13,514 1.16,515 1.119,516 0.948,517 1.021,518 1.144,519 1.06,520 1.161,521 0.912,522 0.923,523 0.995,524 1.392,525 0.965,526 1.586,527 1.036,528 1.099,529 1.058,530 1.962,531 1.02,532 0.789,533 0.667,534 0.752,535 0.874,536 1.315,537 0.869,538 0.635,539 0.86,540 0.871,541 1.057,542 0.726,543 1.087,544 5,545 0.089,546 2.444,547 1.194,548 1.102,549 0.399,550 0.411,551 0.227,552 0.121,553 0.138,554 5641,555 20649,556 2.07,557 35.3,559 8,561 1,562 3,567 1.637,568 1.941,569 3.354,570 1.114,572 1,574 1,577 61.351,578 1.804,579 3.737,580 4.455,581 4.97,582 5.029,583 5.029,584 2.754,585 4.096,586 4.436,587 3.513,588 811.506,589 7.578,590 9320.49,591 1,592 1,593 1,594 1,595 172.974,596 1.395,597 4.392,598 0.208,599 0.006,600 0.074,601 0.04,602 0.048,603 0.02,604 0.022,605 0.012,606 0.008,607 0.009,608 0.447,609 0.33,610 1,611 0.595,612 103.418,613 -0.07,614 0.1,615 -0.009,616 0.084,617 -0.074,618 0.064,619 0.1,620 0.006,621 -0.002,622 0.007,623 0.076,624 -0.058,625 -0.096,626 -0.229,627 0.006,628 -0.129,629 -0.087,630 -0.189,631 -0.187,632 -0.167,633 -0.059,634 -0.051,635 -0.109,636 -0.044,637 -0.043,638 0.027,639 -0.007,640 -0.014,641 -0.06,642 0.052,643 -0.296,644 -0.07,645 -0.177,646 -0.108,647 -0.282,648 -0.093,649 0.407,650 0.283,651 0.129,652 0.095,653 0.254,654 0.103,655 0.178,656 0.082,657 0.002,658 -0.081,659 0.113,660 -0.089,661 1.964,662 4.907,663 0.682,664 16.983,665 1.024,666 1.123,667 3.102,668 9.621,669 0.735,670 3.219,671 3.526,672 3.738,673 3.932,674 4.078,675 4.043,676 4.078,677 4.111,678 3.932,679 3.951,680 6.228,681 0.709,682 335.21,683 3.219,684 4.745,685 5.572,686 6.428,687 7.269,688 8.125,689 8.97,690 9.826,691 10.674,692 11.53,693 11.8,700 2,701 1,703 1,708 2,709 7,710 1,711 1,714 4,716 16,734 2,735 34,737 17,738 2,739 24,741 36,742 15,743 13,744 6,745 6,748 3,749 4,750 2,753 1,762 14,763 1,767 1,772 1,776 1,779 1,780 1,783 12,784 4,785 3,786 7,787 2,792 4,797 0.667,798 1,807 1,815 1,816 2,819 1,843 2,848 2,851 22,858 1,860 2,873 2,874 2.9,877 1,881 11.333,882 5.986,883 4.806,884 1.827,886 2.945,887 1.437,888 1.016,889 4.521,890 9.681,891 3.526,892 4.155,893 4.711,894 5.275,895 5.74,896 5.923,897 6.194,898 6.49,899 6.145,900 6.273,901 0.857,902 30,903 8.051,905 3.401,906 7.904,907 15.027,909 12.068,911 2.404,912 52.889,916 105.94,917 89.947,918 69.348,919 78.297,920 25.145,923 89.947,924 209.382,925 69.348,927 38.127,928 56.857,929 53.579,930 41.227,931 6.42,932 94.169,933 78.297,934 105.94,935 159.295,936 25.145,937 78.297,939 105.94,940 25.145,943 63.838,944 78.794,945 94.96,947 105.94,948 94.492,949 168.244,952 105.94,953 24.042,954 65.905,955 52.685,956 120.105,957 105.94,958 94.492,959 168.244,961 0.584,962 0.332,963 0.166,964 0.087,965 16,966 7,967 0.083,968 3,969 1,970 1.133,971 3.56,972 162.902,973 0.133,974 15,975 98.107,981 15.154,982 6.563,983 3.728,984 1.851,985 77.829,986 12.446,987 3.936,988 2.855,991 2.519,993 52.685,994 368.677,995 33,1000 11.907,1004 -0.297,1007 34.8,1008 38.167,1009 0.355,1010 0.735,1011 0.876,1012 0.977,1013 0.988,1014 0.988,1015 4.736,1016 1.103,1017 5.549,1018 3.525,1019 4.205,1020 4.84,1021 1.848,1022 6.301,1023 4.091,1024 5.953,1025 0.698,1026 7.076,1027 2.456,1028 3.761,1029 4.677,1030 1.195,1031 7.05,1032 3.539,1033 7.258,1034 0.459,1035 8.694,1036 1.625,1037 5.753,1038 7.078,1039 2.443,1040 10.085,1041 5.551,1042 8.598,1043 0.089,1044 10.364,1045 1.098,1046 6.089,1047 7.728,1048 2.324,1049 11.618,1050 5.784,1051 9.964,1052 -0.25,1053 12.066,1054 0.195,1055 7.551,1056 9.603,1057 3.261,1058 14.149,1059 7.266,1060 11.351,1061 -0.601,1062 13.79,1063 -0.655,1064 8.252,1065 10.649,1066 3.415,1067 16.029,1068 7.883,1069 12.753,1070 -0.857,1071 15.53,1072 -1.541,1073 9.491,1074 12.298,1075 4.173,1076 18.366,1077 9.127,1078 2.947,1079 -1,1080 17.281,1081 -2.33,1082 10.372,1083 13.547,1084 4.478,1085 20.412,1086 9.946,1087 2.831,1088 9.267,1089 19.042,1090 -2.512,1091 11.51,1092 15.093,1093 5.131,1094 22.67,1095 11.078,1096 2.5,1097 8.325,1098 20.811,1099 4.366,1100 12.482,1101 16.446,1102 5.522,1103 24.797,1104 12.003,1105 2.213,1106 7.193,1107 22.585,1108 3.87,1109 13.575,1110 17.943,1111 6.114,1112 27.023,1113 13.083,1114 1.93,1115 6.435,1116 24.365,1117 3.157,1118 14.592,1119 19.35,1120 6.554,1121 29.191,1122 14.064,1123 1.534,1124 5.299,1125 26.149,1126 2.84,1127 15.667,1128 20.826,1129 7.11,1130 31.407,1131 15.123,1132 1.414,1133 4.201,1134 27.937,1135 2.588,1136 16.707,1137 22.26,1138 7.577,1139 33.596,1140 16.134,1141 5406,1142 10462,1143 16.008,1144 25,1145 35.73,1146 37.088,1147 36.292,1148 35.604,1149 35.438,1150 48.541,1151 4.711,1152 99.235,1153 33.145,1154 5.322,1155 5.552,1156 5.707,1157 4.979,1158 4.947,1159 7.366,1160 2.921,1161 15.549,1162 4.889,1163 10.202,1164 1.489,1165 1.545,1166 1.512,1167 1.483,1168 1.477,1169 2.023,1170 0.196,1171 4.135,1172 1.381,1173 4.097,1174 4.14,1175 4.118,1176 3.987,1177 7.431,1178 3.998,1179 3.925,1180 3.947,1181 4.053,1182 3.879,1183 5.097,1184 3.868,1185 3.575,1186 3.632,1187 3.571,1188 3.307,1189 5.038,1190 3.35,1191 3.315,1192 3.384,1193 3.403,1194 3.135,1195 4.491,1196 3.142,1197 3.046,1198 3.09,1199 3.347,1200 2.893,1201 4.447,1202 2.897,1203 2.913,1204 2.967,1205 3.134,1206 2.792,1207 4.31,1208 2.769,1209 2.877,1210 2.921,1211 2.823,1212 2.739,1213 3.934,1214 2.75,1215 2.55,1216 2.631,1217 2.656,1218 2.315,1219 3.782,1220 2.306,1221 0.184,1222 0.148,1223 0.258,1224 0.164,1225 0.123,1226 4.427,1227 0.182,1228 3.552,1229 0.069,1230 6.195,1231 0.386,1232 3.928,1233 0.12,1234 2.947,1235 4.366,1236 1.659,1237 9.267,1238 2.889,1239 1.936,1240 1.911,1241 2.018,1242 2.036,1243 1.157,1244 2.032,1245 1.897,1246 1.879,1247 1.974,1248 1.969,1249 1.142,1250 1.981,1251 1.389,1252 1.335,1253 1.54,1254 1.692,1255 0.665,1256 1.647,1257 1.309,1258 1.229,1259 1.464,1260 1.618,1261 0.408,1262 1.58,1263 1.095,1264 1.045,1265 1.268,1266 1.302,1267 0.335,1268 1.306,1269 0.869,1270 0.824,1271 1.097,1272 1.084,1273 0.163,1274 1.095,1275 0.85,1276 0.807,1277 1.059,1278 1.01,1279 0.019,1280 1.052,1281 0.667,1282 0.594,1283 0.913,1284 0.89,1286 0.909,1287 3.892,1289 5.198,1290 2.398,1291 6.683,1292 4.595,1293 8.25,1294 6.581,1295 9.86,1298 11.784,1303 0.358,1305 5.53,1314 24.089,1315 61.351,1316 127.058,1317 151.464,1318 168.974,1319 170.974,1320 170.974,1321 32.447,1322 6.736,1323 69.81,1324 69.81,1325 17,1326 12.085,1327 4.17,1328 3.322,1329 34.797,1330 83,1331 70,1332 0.202,1333 156.895,1334 260.37,1335 374.585,1336 7452,1337 5.9,1338 15.527,1339 0.706,1340 0.585,1341 16.527,1342 12.872,1343 10.614,1344 0.442,1345 0.304,1346 6.513,1347 9.706,1348 6.328,1349 5.228,1350 11.192,1351 7.292,1352 9.682,1353 0.293,1354 0.168,1355 10.424,1356 5.543,1357 7.908,1358 0.193,1359 0.094,1360 8.823,1361 3.874,1362 6.142,1363 0.123,1364 0.047,1365 6.544,1366 2.348,1367 4.72,1368 0.081,1369 0.026,1370 5.1,1371 1.528,1372 0.325,1373 72.43,1374 0.25,1375 22.181,1376 0.53,1377 114,1378 364.786,1379 154.302,1380 417.345,1381 544.4,1382 386,1383 131,1384 351.405,1385 166.968,1386 376.591,1387 544.12,1388 353,1389 5.1}
{0 CHEMBL1982122,1 1.543,2 10.846,3 3.767,4 14.192,5 107.253,6 8.033,7 0.759,8 3.908,9 4.014,10 3.592,11 3.566,12 5.025,13 3.512,14 4.393,15 4.535,16 3.962,17 3.949,18 5.454,19 3.867,20 4.635,21 4.84,22 3.922,23 4.047,24 5.57,25 3.926,26 4.655,27 4.864,28 3.913,29 4.038,30 5.605,31 3.895,32 4.665,33 4.883,34 3.948,35 4.027,36 5.634,37 3.878,38 4.637,39 4.851,40 3.93,41 3.977,42 5.665,43 3.824,44 4.455,45 4.663,46 3.672,47 3.788,48 5.465,49 3.658,50 4.253,51 4.467,52 3.336,53 3.574,54 5.256,55 3.46,56 0.039,57 0.623,58 8.697,59 4.111,60 9.693,61 5.03,62 0.138,63 1.045,64 16.456,65 6.751,66 18.473,67 8.454,68 0.163,69 1.288,70 24.317,71 9.613,72 27.205,73 12.05,74 0.207,75 1.322,76 25.43,77 9.955,78 27.763,79 12.418,80 0.174,81 1.343,82 27.95,83 10.526,84 29.443,85 12.685,86 0.29,87 1.316,88 31.23,89 10.79,90 38.499,91 12.216,92 0.181,93 1.086,94 24.14,95 8.448,96 25.03,97 9.922,98 0.133,99 0.854,100 15.223,101 6.137,102 21.485,103 8.049,104 4,105 39,106 0.262,107 0.579,108 0.737,109 0.848,110 0.858,111 0.858,112 3.304,113 0.971,114 -4.15,115 -4.09,116 -3.87,119 46.7,121 1,125 1,127 1,142 10,143 3,145 2,146 1,152 1,162 1,172 12,175 4,178 1,180 4,183 15,188 3,193 2,196 13,200 4,204 1,205 5,208 8,213 5,218 5,221 5,225 5,228 1,230 4,233 6,238 2,243 3,246 9,249 1,255 2,258 10,267 1,269 2,272 12,276 982,277 18.231,278 18.231,279 18.231,280 18.231,281 18.231,282 15.707,283 11.753,284 11.185,285 18.644,286 14.362,287 14.362,288 14.362,289 14.362,290 14.362,291 10.654,292 19.333,293 5.301,294 15.073,295 3.949,296 2.086,297 1.155,298 0.506,299 0.444,300 0.444,301 4.008,304 1,305 1,306 1,307 617,308 3,311 56.975,312 244.327,315 106.397,319 1.793,320 15.348,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 54.5,332 282,333 4.514,334 3.196,335 6.342,336 4.008,337 3.067,338 4.452,339 0.657,340 9.802,341 2.925,342 4.132,343 3.022,344 6.159,345 3.835,346 2.854,347 3.711,349 9.141,350 2.797,351 4.055,352 2.73,353 6.029,354 3.662,355 2.7,356 3.549,358 8.703,359 2.568,360 3.5,361 2.211,362 5.132,363 3.041,364 2.108,365 2.895,367 6.228,368 1.963,369 3.253,370 1.896,371 4.524,372 2.81,373 1.839,374 2.543,376 4.636,377 1.779,378 3.092,379 1.762,380 4.407,381 2.65,382 1.709,383 2.314,385 4.374,386 1.586,387 3.005,388 1.55,389 4.336,390 2.445,391 1.517,392 2.232,394 4.133,395 1.39,396 2.64,397 1.518,398 3.514,399 2.262,400 1.287,401 1.706,403 2.735,404 1.251,405 2.555,406 1.163,407 3.504,408 2.103,409 1.149,410 1.567,412 2.684,413 1.093,414 2.5,415 1.036,416 3.247,417 2,418 1,419 1.5,421 2.136,422 1,423 2.5,424 1,425 3.247,426 1.984,427 1,428 1.5,430 2.136,431 0.983,432 1.927,433 1,434 3.155,435 1.715,436 0.797,437 0.884,439 1.499,440 0.724,441 1.899,442 0.411,443 3.096,444 1.313,445 0.41,446 0.609,448 1.073,449 0.364,450 1.003,451 0.055,452 2.607,453 0.662,454 -0.23,455 -0.257,457 -0.492,458 -0.203,459 0.824,460 -0.326,461 2.507,462 0.436,463 -0.521,464 -0.669,466 -1.183,467 -0.494,468 12.867,469 0.495,470 0.427,471 0.016,472 36.75,473 1.413,474 20.5,475 0.788,476 16.25,477 0.625,478 19.16,479 0.737,480 26.133,481 0.581,482 24.211,483 0.931,484 7.145,485 0.275,486 5.686,487 0.219,488 0.026,490 0.272,496 0.953,497 1.032,498 0.749,499 0.819,500 0.964,501 0.815,502 0.923,503 1.097,504 0.89,505 0.983,506 0.944,507 0.97,508 0.934,509 1,510 0.992,511 0.952,512 0.842,513 0.95,514 0.856,515 1.051,516 1.085,517 1.051,518 0.777,519 1.052,520 1.028,521 1.055,522 1.156,523 1.076,524 0.878,525 0.984,526 1.199,527 1.031,528 1.445,529 1.237,530 1.135,531 0.993,532 1.292,533 1.131,534 1.375,535 1.248,536 1.231,537 1.051,538 0.999,539 0.997,540 0.927,541 0.997,542 0.965,543 1.098,544 4,545 0.062,546 2.222,547 1.479,548 0.796,549 0.726,550 0.521,551 0.325,552 0.146,553 0.151,554 8514,555 22004,556 2.172,557 42.2,559 13,561 2,562 2,565 2,567 1.69,568 2.108,569 3.414,570 0.213,572 1,577 69.429,578 1.543,579 3.406,580 4.337,581 4.986,582 5.047,583 5.047,584 2.874,585 4.239,586 4.671,587 3.569,588 1159.91,589 8.091,590 14595.9,592 1,594 1,595 247.133,596 1.058,597 4.663,598 0.138,599 0.004,600 0.057,601 0.039,602 0.023,603 0.021,604 0.016,605 0.012,606 0.007,607 0.008,608 0.324,609 0.33,610 1,611 0.723,612 127.724,613 -0.086,614 -0.003,615 0.051,616 0.081,617 -0.121,618 0.059,619 -0.006,620 -0.06,621 0.015,622 -0.039,623 -0.103,624 -0.068,625 -0.088,626 -0.002,627 -0.016,628 0.029,629 -0.08,630 0.019,631 0.013,632 -0.043,633 -0.047,634 -0.038,635 -0.02,636 -0.077,637 -0.052,638 -0.037,639 0.018,640 0.011,641 0.013,642 0.012,643 0.016,644 0.019,645 -0.057,646 -0.036,647 0.065,648 0.015,649 -0.113,650 -0.106,651 -0.16,652 -0.145,653 -0.046,654 -0.067,655 -0.039,656 -0.037,657 -0.147,658 -0.139,659 -0.012,660 -0.151,661 1.371,662 3.416,663 0.808,664 24.982,665 0.995,666 1.11,667 2.92,668 8.528,669 0.716,670 3.401,671 3.689,672 3.97,673 4.248,674 4.466,675 4.511,676 4.71,677 4.852,678 4.89,679 4.97,680 6.428,681 0.671,682 361.5,683 3.401,684 4.92,685 5.765,686 6.632,687 7.496,688 8.371,689 9.243,690 10.123,691 11,692 11.881,693 6.7,698 1,703 2,708 2,709 12,710 2,713 1,714 4,716 22,728 1,735 45,737 22,738 2,739 29,741 48,742 21,743 18,744 4,745 8,748 4,749 5,754 1,760 2,762 18,763 3,780 1,783 19,784 4,785 2,786 5,787 1,792 3,797 0.75,798 1,799 1,809 1,815 1,816 3,819 1,841 1,843 3,845 1,851 26,857 1,858 2,860 1,863 1,868 1,874 2.2,875 1,881 12.333,882 7.85,883 5.833,884 2.632,886 3.835,887 1.514,888 0.997,889 5.119,890 11.301,891 3.714,892 4.321,893 4.941,894 5.563,895 6.113,896 6.39,897 6.915,898 7.384,899 7.661,900 8.051,901 1,902 38,903 9.573,905 4.035,906 7.603,907 18.566,909 15.352,911 2.103,912 54.667,915 1,916 200.109,917 159.617,918 51.582,920 42.683,922 31.278,923 128.339,924 242.792,925 51.582,927 2.535,928 137.446,929 75.124,930 30.296,931 0.746,932 207.844,934 200.109,935 179.921,936 42.683,937 31.278,939 176.567,940 23.542,941 42.683,943 23.274,944 105.065,945 51.582,946 31.278,947 200.109,948 94.265,949 159.617,952 200.109,953 46.76,954 112.857,955 18.011,956 76.254,957 200.109,958 94.265,959 159.617,961 0.563,962 0.33,963 0.19,964 0.105,965 19,966 7,967 0.125,968 6,969 1,970 1.095,971 3.923,972 218.181,973 0.095,974 21,975 114.211,977 1,981 16.984,982 7.836,983 3.885,984 2.115,985 94.265,986 24.097,987 8.785,990 1.635,991 4.324,993 60.694,994 453.991,995 40,1007 44.778,1008 49.946,1009 0.281,1010 0.62,1011 0.79,1012 0.908,1013 0.919,1014 0.919,1015 4.909,1016 1.287,1017 5.714,1018 4.133,1019 4.369,1020 5.007,1021 0.623,1022 6.491,1023 4.279,1024 6.099,1025 1.149,1026 7.239,1027 2.735,1028 3.761,1029 4.62,1031 7.286,1032 3.622,1033 7.385,1034 1,1035 8.867,1036 2.684,1037 5.916,1038 7.22,1039 0.317,1040 10.4,1041 5.749,1042 8.712,1043 1,1044 10.558,1045 2.136,1046 6.196,1047 7.741,1049 12.057,1050 5.978,1051 10.074,1052 0.797,1053 12.289,1054 2.136,1055 7.753,1056 9.737,1057 0.149,1058 14.63,1059 7.514,1060 11.462,1061 0.41,1062 14.047,1063 1.499,1064 8.456,1065 10.716,1067 16.628,1068 8.164,1069 12.869,1070 -0.23,1071 15.824,1072 1.073,1073 9.751,1074 12.434,1075 0.067,1076 19.004,1077 9.436,1078 3.067,1079 -0.521,1080 17.614,1081 -0.492,1082 10.658,1083 13.656,1085 21.145,1086 10.292,1087 2.854,1088 9.802,1089 19.413,1090 -1.183,1091 11.836,1092 15.242,1093 0.03,1094 23.445,1095 11.442,1096 2.7,1097 9.141,1098 21.219,1099 4.452,1100 12.841,1101 16.592,1103 25.647,1104 12.398,1105 2.108,1106 8.703,1107 23.03,1108 3.711,1109 13.969,1110 18.118,1111 0.013,1112 27.918,1113 13.492,1114 1.839,1115 6.228,1116 24.845,1117 3.549,1118 15.021,1119 19.535,1121 30.149,1122 14.497,1123 1.709,1124 4.636,1125 26.663,1126 2.895,1127 16.129,1128 21.035,1129 0.006,1130 32.41,1131 15.567,1132 1.517,1133 4.374,1134 28.483,1135 2.543,1136 17.204,1137 22.487,1139 34.655,1140 16.596,1141 8007,1142 12988,1143 20.167,1144 32.211,1145 43.283,1146 42.887,1147 43.458,1148 42.913,1149 42.874,1150 58.927,1151 1.315,1152 118.555,1153 40.841,1154 5.366,1155 5.196,1156 6.144,1157 5.141,1158 5.067,1159 7.452,1160 1.315,1161 16.299,1162 4.925,1163 6.752,1164 1.493,1165 1.479,1166 1.499,1167 1.48,1168 1.478,1169 2.032,1170 0.045,1171 4.088,1172 1.408,1173 4.091,1174 4.11,1175 4.325,1176 4.074,1177 6.456,1178 4.039,1179 3.924,1180 3.956,1181 3.852,1182 3.864,1183 5.003,1184 3.856,1185 3.806,1186 3.843,1187 3.819,1188 3.729,1189 4.865,1190 3.715,1191 3.565,1192 3.622,1193 3.45,1194 3.41,1195 4.748,1196 3.405,1197 3.304,1198 3.352,1199 3.357,1200 3.22,1201 4.32,1202 3.174,1203 3.028,1204 3.081,1205 2.936,1206 2.84,1207 3.986,1208 2.837,1209 2.894,1210 2.946,1211 2.872,1212 2.799,1213 3.741,1214 2.783,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.674,1220 2.715,1221 0.156,1222 0.11,1223 0.219,1224 0.138,1225 0.106,1226 4.514,1227 0.154,1228 3.196,1229 0.023,1230 6.342,1231 0.338,1232 4.008,1233 0.101,1234 3.067,1235 4.452,1236 0.657,1237 9.802,1238 2.925,1239 1.976,1240 1.959,1241 2.055,1242 2.042,1243 1.271,1244 2.05,1245 1.928,1246 1.898,1247 2.045,1248 2.02,1249 1.188,1250 2.035,1251 1.708,1252 1.675,1253 1.812,1254 1.827,1255 0.966,1256 1.828,1257 1.567,1258 1.513,1259 1.793,1260 1.758,1261 0.867,1262 1.774,1263 1.284,1264 1.258,1265 1.373,1266 1.486,1267 0.538,1268 1.488,1269 0.974,1270 0.924,1271 1.181,1272 1.175,1273 0.35,1274 1.192,1275 0.912,1276 0.881,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.886,1282 0.821,1283 1.168,1284 1.062,1285 0.218,1286 1.107,1287 4.078,1289 5.371,1290 2.398,1291 6.866,1292 4.727,1293 8.449,1294 6.823,1295 10.077,1302 9.416,1303 0.77,1305 3.482,1308 0.043,1314 30.181,1315 69.429,1316 153.285,1317 195.159,1318 224.379,1319 227.133,1320 227.133,1321 33.692,1322 7.466,1323 58.04,1324 86.28,1325 23,1326 12.417,1327 4.524,1328 3.585,1329 38.069,1330 101,1331 94,1332 0.186,1333 188.872,1334 312.72,1335 452.608,1336 17474,1338 17.769,1339 0.683,1340 0.576,1341 18.123,1342 14.986,1343 12.831,1344 0.442,1345 0.324,1346 8.566,1347 12.099,1348 8.321,1349 6.889,1350 13.239,1351 9.383,1352 11.011,1353 0.282,1354 0.182,1355 11.68,1356 7.088,1357 9.381,1358 0.18,1359 0.101,1360 10.116,1361 5.269,1362 8.091,1363 0.117,1364 0.057,1365 8.974,1366 3.954,1367 6.608,1368 0.077,1369 0.032,1370 7.429,1371 2.738,1372 0.292,1373 83.091,1374 0.223,1375 25.23,1376 0.506,1377 136,1378 348.633,1379 169.726,1380 368.056,1381 513.64,1382 348,1383 159,1384 364.159,1385 187.65,1386 389.69,1387 570.17,1388 369,1389 5.1}
{0 CHEMBL1982135,1 1.618,2 11.724,3 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 5.63,19 3.999,20 4.721,21 4.888,22 4.185,23 4.203,24 5.78,25 4.116,26 4.801,27 4.991,28 4.163,29 4.186,30 5.873,31 4.083,32 4.798,33 5.017,34 3.997,35 4.054,36 5.888,37 3.957,38 4.672,39 4.893,40 3.793,41 3.882,42 5.794,43 3.799,44 4.534,45 4.779,46 3.592,47 3.746,48 5.546,49 3.643,50 4.37,51 4.598,52 3.505,53 3.671,54 5.373,55 3.548,56 0.044,57 0.741,58 8.548,59 4.058,60 9.094,61 4.815,62 0.237,63 1.207,64 16.518,65 7.371,66 23.032,67 9.21,68 0.156,69 1.471,70 23.424,71 9.732,72 23.804,73 11.515,74 0.186,75 1.593,76 27.917,77 10.725,78 27.491,79 13.087,80 0.254,81 1.519,82 29.176,83 10.553,84 43.002,85 12.712,86 0.346,87 1.346,88 24.975,89 8.314,90 54.941,91 9.722,92 0.267,93 1.144,94 21.3,95 7.441,96 40.584,97 9.69,98 0.202,99 0.958,100 18.196,101 7.354,102 26.785,103 9.469,104 10,105 48,106 0.27,107 0.642,108 0.784,109 0.873,110 0.893,111 0.893,112 3.408,113 0.928,114 -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 19,185 1,188 2,193 6,196 17,198 1,200 8,202 1,203 1,205 9,208 8,210 2,213 11,218 10,221 3,223 3,225 8,230 7,233 4,235 3,238 2,243 3,246 10,250 1,253 2,254 1,255 1,257 1,258 12,264 1,269 1,272 12,276 1217,277 19.809,278 19.809,279 19.809,280 19.809,281 19.809,282 16.987,283 21.187,284 11.517,285 20.226,286 16.32,287 16.32,288 16.32,289 16.32,290 16.32,291 12.02,292 24.899,293 5.49,294 17.022,295 3.967,296 1.735,297 0.883,298 0.349,299 0.224,300 0.224,301 4.121,305 1,306 1,307 764,308 3.162,311 43.912,312 250.759,315 164.887,316 85.66,319 1.891,320 22.133,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 61.5,332 340,333 4.774,334 3.57,335 7.107,336 4.333,337 3.368,338 4.724,339 1.656,340 12.368,341 3.261,342 4.243,343 3.431,344 6.267,345 3.836,346 2.864,347 3.912,348 0.247,349 9.349,350 2.783,351 4.18,352 2.927,353 6.054,354 3.781,355 2.804,356 3.786,358 8.705,359 2.733,360 3.795,361 2.881,362 5.639,363 3.428,364 2.463,365 3.197,367 7.495,368 2.369,369 3.594,370 2.507,371 5.375,372 3.16,373 2.222,374 2.938,376 6.804,377 2.082,378 3.398,379 2.246,380 5.106,381 2.917,382 1.975,383 2.705,385 5.878,386 1.843,387 3.207,388 1.971,389 4.797,390 2.774,391 1.809,392 2.448,394 5.235,395 1.74,396 3.013,397 1.906,398 4.685,399 2.684,400 1.731,401 2.166,403 4.817,404 1.619,405 2.874,406 1.669,407 4.156,408 2.414,409 1.414,410 2.038,412 3.561,413 1.414,414 2.818,415 1.472,416 4.081,417 2.371,418 1.38,419 1.961,421 3.409,422 1.364,423 2.803,424 1.374,425 3.596,426 2.285,427 1.342,428 1.912,430 2.958,431 1.26,432 2.301,433 0.958,434 3.575,435 1.853,436 0.893,437 1.225,439 2.221,440 0.852,441 1.861,442 0.664,443 3.25,444 1.476,445 0.576,446 0.719,448 1.468,449 0.507,450 1.421,451 0.626,452 2.993,453 1.145,454 0.187,455 0.221,457 0.466,458 0.178,459 1.287,460 0.396,461 2.586,462 0.91,463 -0.08,464 -0.101,466 -0.195,467 -0.078,468 14.167,469 0.489,470 0.747,471 0.026,472 42,473 1.448,474 23,475 0.793,476 19,477 0.655,478 22.922,479 0.79,480 29.033,481 0.605,482 29.53,483 1.018,484 7.956,485 0.274,486 6.141,487 0.212,488 0.087,490 0.388,496 0.875,497 1.029,498 0.721,499 0.776,500 0.727,501 0.758,502 0.407,503 0.87,504 0.728,505 0.849,506 0.451,507 0.833,508 0.999,509 1.096,510 1.04,511 1.038,512 0.907,513 0.997,514 0.867,515 1.225,516 1.114,517 1.247,518 0.787,519 1.141,520 1.345,521 1.132,522 1.073,523 1.07,524 1.326,525 1.027,526 1.874,527 1.009,528 1.144,529 0.918,530 1.956,531 0.996,532 1.315,533 0.874,534 0.853,535 0.8,536 1.411,537 0.935,538 0.774,539 0.809,540 0.877,541 0.955,542 1.022,543 1.017,544 5.5,545 0.116,546 3.111,547 2.569,548 2.093,549 0.799,550 0.589,551 0.332,552 0.258,553 0.228,554 11765,555 31201,556 2.171,557 39.6,558 5,559 7,561 1,562 4,563 2,567 1.716,568 2.047,569 3.483,570 1.629,572 1,577 77.65,578 1.618,579 3.849,580 4.701,581 5.236,582 5.361,583 5.361,584 2.922,585 4.625,586 4.83,587 3.672,588 1490.76,589 8.392,590 20074.5,592 1,594 1,595 268.078,596 1.361,597 4.797,598 0.167,599 0.005,600 0.065,601 0.051,602 0.046,603 0.02,604 0.018,605 0.012,606 0.01,607 0.009,608 0.404,609 0.17,610 0.88,611 0.506,612 147.498,613 -0.121,614 0.051,615 0.042,616 0.11,617 -0.107,618 0.089,619 0.35,620 0.164,621 0.146,622 0.105,623 0.172,624 0.078,625 -0.125,626 -0.082,627 -0.067,628 -0.036,629 -0.089,630 -0.057,631 0.015,632 -0.227,633 -0.074,634 -0.219,635 0.043,636 -0.17,637 -0.13,638 -0.16,639 -0.06,640 -0.09,641 -0.025,642 -0.051,643 -0.372,644 0.001,645 -0.199,646 -0.015,647 -0.285,648 -0.072,649 -0.18,650 0.071,651 -0.002,652 0.075,653 -0.2,654 0.046,655 0.144,656 0.089,657 0.034,658 0.006,659 -0.014,660 0.007,661 1.922,662 5.425,663 0.793,664 28.243,665 1.002,666 1.115,667 3.667,668 13.446,669 0.718,670 3.526,671 3.892,672 4.22,673 4.564,674 4.844,675 4.956,676 5.147,677 5.371,678 5.476,679 5.572,680 6.899,681 0.681,682 401.53,683 3.526,684 5.094,685 5.974,686 6.882,687 7.782,688 8.698,689 9.607,690 10.527,691 11.443,692 12.366,693 10.4,697 1,700 2,703 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 5,797 0.4,798 1,810 1,815 1,816 4,819 2,820 1,843 2,845 1,847 1,851 29,852 1,858 2,860 2,869 1,874 2.1,877 1,881 14.167,882 8.983,883 6.194,884 2.824,886 4.282,887 1.51,888 1.067,889 4.533,890 12.684,891 3.829,892 4.503,893 5.147,894 5.82,895 6.403,896 6.75,897 7.218,898 7.731,899 8.061,900 8.429,901 0.875,902 50,903 10.696,905 4.666,906 7.678,907 20.554,909 17.46,911 2.178,912 63.167,915 1,916 176.567,917 149.232,918 102.49,920 25.145,922 31.278,923 117.954,924 201.711,925 102.49,926 8.825,927 41.091,928 99.231,929 70.804,930 29.447,931 7.962,932 196.073,934 176.567,935 220.444,936 25.145,937 31.278,939 176.567,940 25.145,943 58.851,944 128.022,945 33.571,946 31.278,947 176.567,948 127.635,949 149.232,952 176.567,953 65.455,954 83.778,955 36.022,956 91.613,957 176.567,958 127.635,959 149.232,961 0.59,962 0.352,963 0.202,964 0.114,965 26,966 11,967 0.038,968 2,969 3,970 1.261,971 4.089,972 270.196,973 0.261,974 23,975 138.881,977 1,981 18.226,982 7.213,983 3.285,984 1.863,985 127.635,986 15.232,987 8.558,990 1.684,991 7.857,993 68.919,994 453.433,995 45,1000 12.425,1004 -0.255,1007 48.098,1008 53.527,1009 0.29,1010 0.689,1011 0.842,1012 0.938,1013 0.96,1014 0.96,1015 5.078,1016 1.731,1017 5.974,1018 5.235,1019 4.575,1020 5.19,1021 1.758,1022 6.834,1023 4.496,1024 6.314,1025 1.414,1026 7.557,1027 4.817,1028 4.205,1029 5.085,1030 1.195,1031 7.816,1032 4.102,1033 7.645,1034 1.38,1035 9.242,1036 3.561,1037 6.209,1038 7.475,1039 2.415,1040 10.977,1041 6.066,1042 9.012,1043 1.342,1044 10.987,1045 3.409,1046 6.661,1047 8.207,1048 2.324,1049 12.842,1050 6.493,1051 10.413,1052 0.893,1053 12.773,1054 2.958,1055 8.146,1056 10.08,1057 3.244,1058 15.539,1059 7.947,1060 11.838,1061 0.576,1062 14.589,1063 2.221,1064 8.992,1065 11.225,1066 3.407,1067 17.785,1068 8.765,1069 13.284,1070 0.187,1071 16.428,1072 1.468,1073 10.277,1074 12.889,1075 4.156,1076 20.339,1077 10.022,1078 3.368,1079 -0.08,1080 18.286,1081 0.466,1082 11.309,1083 14.239,1084 4.464,1085 22.744,1086 11.023,1087 2.864,1088 12.368,1089 20.159,1090 -0.195,1091 12.522,1092 15.819,1093 5.111,1094 25.26,1095 12.207,1096 2.804,1097 9.349,1098 22.044,1099 4.724,1100 13.641,1101 17.269,1102 5.504,1103 27.729,1104 13.293,1105 2.463,1106 8.705,1107 23.941,1108 3.912,1109 14.833,1110 18.818,1111 6.091,1112 30.237,1113 14.455,1114 2.222,1115 7.495,1116 25.846,1117 3.786,1118 15.993,1119 20.316,1120 6.531,1121 32.732,1122 15.582,1123 1.975,1124 6.804,1125 27.76,1126 3.197,1127 17.183,1128 21.858,1129 7.083,1130 35.241,1131 16.741,1132 1.809,1133 5.878,1134 29.68,1135 2.938,1136 18.364,1137 23.38,1138 7.551,1139 37.746,1140 17.889,1141 10822,1142 17781,1143 22.482,1144 34.461,1145 50.381,1146 51.344,1147 51.908,1148 50.019,1149 50.056,1150 67.903,1151 3.806,1152 149.469,1153 48.01,1154 5.661,1155 5.57,1156 6.795,1157 5.461,1158 5.368,1159 7.724,1160 2.912,1161 19.834,1162 5.261,1163 12.147,1164 1.527,1165 1.556,1166 1.573,1167 1.516,1168 1.517,1169 2.058,1170 0.115,1171 4.529,1172 1.455,1173 4.141,1174 4.157,1175 4.355,1176 4.135,1177 7.431,1178 4.099,1179 3.934,1180 3.967,1181 3.893,1182 3.86,1183 5.22,1184 3.857,1185 3.836,1186 3.871,1187 3.823,1188 3.769,1189 4.8,1190 3.757,1191 3.51,1192 3.567,1193 3.487,1194 3.336,1195 4.754,1196 3.341,1197 3.342,1198 3.387,1199 3.38,1200 3.108,1201 4.683,1202 3.143,1203 3.169,1204 3.256,1205 3.111,1206 3.02,1207 4.266,1208 2.996,1209 3.12,1210 3.18,1211 2.965,1212 3.001,1213 3.98,1214 2.977,1215 3,1216 3.103,1217 2.936,1218 2.814,1219 3.887,1220 2.795,1221 0.145,1222 0.108,1223 0.215,1224 0.131,1225 0.102,1226 4.774,1227 0.143,1228 3.57,1229 0.05,1230 7.107,1231 0.375,1232 4.333,1233 0.099,1234 3.368,1235 4.724,1236 1.656,1237 12.368,1238 3.261,1239 2.006,1240 1.986,1241 2.09,1242 2.08,1243 1.355,1244 2.084,1245 1.913,1246 1.884,1247 2.035,1248 2.01,1249 1.135,1250 2.018,1251 1.759,1252 1.729,1253 1.787,1254 1.914,1255 0.937,1256 1.896,1257 1.54,1258 1.51,1259 1.693,1260 1.696,1261 0.866,1262 1.702,1263 1.231,1264 1.184,1265 1.553,1266 1.499,1267 0.604,1268 1.481,1269 1.204,1270 1.125,1271 1.379,1272 1.418,1273 0.486,1274 1.468,1275 1.104,1276 1.068,1277 1.227,1278 1.284,1279 0.325,1280 1.29,1281 0.893,1282 0.839,1283 1.161,1284 1.174,1285 0.189,1286 1.188,1287 4.205,1289 5.557,1290 2.398,1291 7.111,1292 4.844,1293 8.762,1294 7.081,1295 10.466,1297 1.965,1301 6.153,1303 1.846,1305 5.838,1314 32.697,1315 77.65,1316 184.775,1317 225.672,1318 251.323,1319 257.323,1320 257.323,1321 39.439,1322 8.402,1323 92.93,1324 121.17,1325 29,1326 12.874,1327 4.585,1328 3.7,1329 39.823,1330 123,1331 113,1332 0.162,1333 201.732,1334 337.02,1335 483.987,1336 57174,1338 19.957,1339 0.688,1340 0.574,1341 20.311,1342 16.638,1343 14.097,1344 0.427,1345 0.309,1346 9.37,1347 13.287,1348 9.057,1349 7.49,1350 14.506,1351 10.204,1352 13.098,1353 0.273,1354 0.171,1355 13.74,1356 8.189,1357 11.312,1358 0.169,1359 0.095,1360 12.091,1361 6.395,1362 10.117,1363 0.106,1364 0.053,1365 11.078,1366 4.991,1367 8.588,1368 0.068,1369 0.03,1370 9.548,1371 3.724,1372 0.256,1373 91.257,1374 0.211,1375 27.568,1376 0.438,1377 162,1378 427.864,1379 199.247,1380 447.705,1381 628.06,1382 420,1383 196,1384 462.661,1385 229.371,1386 489.53,1387 722.27,1388 462,1389 5.1}
{0 CHEMBL1982167,1 1.609,2 10.821,3 3.044,4 9.268,5 104.649,6 8.14,7 0.71,8 3.955,9 4.058,10 3.603,11 3.489,12 5.163,13 3.501,14 4.433,15 4.574,16 3.938,17 3.833,18 5.605,19 3.84,20 4.577,21 4.729,22 4.028,23 3.938,24 5.761,25 3.934,26 4.665,27 4.832,28 4.021,29 3.96,30 5.909,31 3.938,32 4.717,33 4.922,34 3.933,35 3.951,36 5.881,37 3.903,38 4.651,39 4.86,40 3.884,41 3.85,42 5.838,43 3.817,44 4.541,45 4.723,46 3.762,47 3.7,48 5.763,49 3.688,50 4.393,51 4.571,52 3.617,53 3.602,54 5.61,55 3.566,56 0.083,57 0.68,58 7.807,59 3.895,60 6.922,61 4.523,62 0.317,63 1.044,64 15.23,65 6.095,66 24.437,67 7.124,68 0.314,69 1.211,70 17.579,71 7.038,72 26.153,73 8.477,74 0.537,75 1.301,76 20.161,77 7.63,78 43.468,79 9.34,80 0.528,81 1.325,82 23.202,83 8.346,84 46.432,85 10.876,86 0.42,87 1.217,88 22.222,89 7.871,90 46.952,91 10.212,92 0.59,93 1.052,94 20.093,95 6.494,96 54.814,97 7.53,98 0.42,99 0.94,100 16.178,101 5.755,102 42.426,103 6.995,104 14,105 43,106 0.271,107 0.594,108 0.716,109 0.82,110 0.845,111 0.867,112 3.375,113 0.835,114 -3.78,115 -3.74,116 -3.56,119 45.7,124 2,142 9,143 2,144 3,145 2,152 1,158 1,161 1,166 1,172 7,174 1,175 10,178 1,180 2,183 8,187 1,188 7,191 1,193 1,196 6,199 3,200 6,203 4,205 1,208 5,212 2,213 7,221 4,224 1,225 10,230 2,233 3,237 3,238 6,243 2,246 1,249 3,250 5,255 2,258 2,264 3,269 1,272 4,276 1200,277 19.447,278 19.447,279 19.447,280 19.447,281 19.447,282 16.793,283 14.378,284 11.444,285 19.973,286 15.179,287 15.179,288 15.179,289 15.179,290 15.179,291 11.077,292 19.112,293 5.234,294 15.84,295 3.914,296 2.002,297 1.278,298 0.658,299 0.511,300 0.381,301 4.073,304 1,305 1,306 1,307 656,308 3.162,311 57.78,312 241.879,315 109.102,319 1.704,320 25.049,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 61,332 303,333 4.679,334 3.622,335 6.869,336 4.208,337 3.246,338 4.633,339 1.058,340 11.453,341 3.123,342 4.288,343 3.152,344 6.306,345 3.894,346 2.932,347 3.922,348 0.86,349 9.508,350 2.824,351 4.114,352 3.066,353 6.155,354 3.729,355 2.741,356 3.687,357 0.86,358 9.062,359 2.694,360 3.671,361 2.677,362 5.477,363 3.239,364 2.279,365 3.089,367 6.794,368 2.196,369 3.526,370 2.546,371 5.22,372 3.126,373 2.18,374 2.846,376 6.464,377 2.032,378 3.2,379 1.904,380 4.716,381 2.735,382 1.758,383 2.45,385 4.788,386 1.714,387 3.047,388 1.86,389 4.364,390 2.491,391 1.55,392 2.32,394 3.997,395 1.456,396 2.87,397 1.549,398 4.077,399 2.452,400 1.484,401 2.008,403 3.65,404 1.43,405 2.694,406 1.358,407 3.84,408 2.191,409 1.195,410 1.766,412 2.844,413 1.187,414 2.514,415 1.242,416 3.528,417 2,418 1,419 1.5,421 2.541,422 1,423 2.5,424 1.098,425 3.256,426 1.966,427 1,428 1.489,430 2.136,431 0.96,432 2.063,433 1,434 3.247,435 1.648,436 0.772,437 0.893,439 1.516,440 0.669,441 1.934,442 0.916,443 3.055,444 1.535,445 0.571,446 0.805,448 1.294,449 0.548,450 1.482,451 0.68,452 2.764,453 1.205,454 0.344,455 0.381,457 0.478,458 0.293,459 1.142,460 0.476,461 2.525,462 0.79,463 -0.169,464 -0.208,466 -0.342,467 -0.159,468 13.1,469 0.468,470 0.551,471 0.02,472 41.5,473 1.482,474 23,475 0.821,476 18.5,477 0.661,478 18.403,479 0.657,480 28.9,481 0.628,482 32.072,483 1.145,484 8.653,485 0.309,486 5.054,487 0.181,488 0.102,490 0.336,496 0.788,497 1.225,498 0.69,499 1.059,500 0.628,501 0.891,502 1.152,503 1.079,504 0.822,505 0.856,506 0.785,507 0.793,508 1.039,509 1.222,510 0.885,511 1.036,512 0.953,513 0.948,514 0.969,515 1.01,516 1.019,517 1.018,518 1.094,519 1.029,520 0.838,521 1.045,522 0.968,523 0.989,524 1.04,525 0.986,526 0.972,527 1.077,528 0.882,529 0.99,530 1.199,531 0.92,532 1.652,533 0.946,534 1.171,535 0.851,536 1.895,537 0.911,538 1.24,539 1.146,540 1.186,541 1.108,542 1.782,543 1.135,544 4.5,545 0.107,546 3.333,547 1.91,548 1.463,549 0.966,550 0.673,551 0.304,552 0.248,553 0.192,554 9604,555 27143,556 2.115,557 39.1,559 15,561 2,562 1,567 1.712,568 2,569 3.41,570 -0.323,571 1,572 1,577 74.032,578 1.609,579 3.522,580 4.245,581 4.866,582 5.012,583 5.143,584 2.867,585 4.28,586 4.779,587 3.554,588 1343.53,589 8.321,590 17456.8,592 1,594 1,595 254.084,596 1.333,597 4.748,598 0.145,599 0.006,600 0.078,601 0.042,602 0.033,603 0.024,604 0.018,605 0.009,606 0.009,607 0.008,608 0.371,609 0.33,610 1,611 0.789,612 139.725,613 -0.007,614 -0.116,615 0.063,616 -0.09,617 -0.06,618 -0.018,619 -0.091,620 -0.017,621 0.054,622 0.099,623 -0.041,624 0.096,625 -0.057,626 -0.159,627 -0.004,628 -0.087,629 -0.023,630 -0.049,631 0.096,632 0.053,633 -0.099,634 -0.083,635 0.059,636 -0.131,637 0.091,638 -0.039,639 0.006,640 -0.028,641 0.063,642 -0.018,643 0.03,644 -0.094,645 0.119,646 -0.024,647 0.096,648 0.057,649 -0.18,650 0.046,651 -0.14,652 0.082,653 -0.22,654 -0.008,655 -0.042,656 -0.13,657 -0.215,658 -0.169,659 -0.203,660 -0.222,661 2.001,662 5.904,663 0.75,664 25.551,665 1.012,666 1.12,667 2.551,668 6.507,669 0.689,670 3.466,671 3.784,672 4.111,673 4.394,674 4.615,675 4.7,676 4.82,677 4.927,678 4.984,679 5.081,680 6.387,681 0.672,682 374.43,683 3.466,684 5.004,685 5.872,686 6.758,687 7.644,688 8.539,689 9.432,690 10.33,691 11.227,692 12.128,693 8.7,700 1,701 1,703 2,708 1,709 11,710 2,714 6,716 22,723 1,733 2,735 46,737 23,738 2,739 31,741 49,742 21,743 18,744 4,745 8,746 1,748 4,749 5,762 19,763 2,767 1,772 1,776 1,779 1,780 1,783 18,784 6,785 1,786 7,792 4,797 0.75,798 3,807 1,810 1,815 1,816 3,819 1,843 3,847 2,851 28,860 1,861 2,874 6.5,877 1,879 2,881 14,882 9.017,883 6.333,884 2.49,886 4.283,887 1.555,888 1.001,889 5.065,890 11.996,891 3.784,892 4.422,893 5.087,894 5.726,895 6.276,896 6.599,897 7.035,898 7.47,899 7.747,900 8.135,901 1,902 46,903 10.289,905 4.341,906 7.78,907 19.33,909 15.406,911 2.28,912 63.833,915 1,916 200.109,917 153.939,918 52.623,920 47.145,923 153.939,924 247.253,925 52.623,926 21.766,927 18.011,928 85.286,929 88.556,930 60.873,931 2.757,932 176.567,934 200.109,935 206.562,936 47.145,939 200.109,940 47.145,943 38.985,944 134.128,945 33.449,947 200.109,948 99.768,949 153.939,952 200.109,953 28.791,954 126.311,955 18.011,956 80.593,957 200.109,958 99.768,959 153.939,961 0.572,962 0.355,963 0.2,964 0.108,965 21,966 9,967 0.102,968 5,969 1,970 1.095,971 3.93,972 248.915,973 0.095,974 21,975 130.606,981 18.169,982 7.806,983 3.51,984 0.473,985 98.604,986 20.057,987 8.721,991 3.847,993 18.011,994 453.815,995 43,1000 12.904,1004 -0.334,1007 46.574,1008 51.528,1009 0.291,1010 0.638,1011 0.769,1012 0.881,1013 0.907,1014 0.931,1015 5.001,1016 1.484,1017 5.849,1018 3.997,1019 4.466,1020 5.109,1021 1.824,1022 6.686,1023 4.389,1024 6.219,1025 1.195,1026 7.421,1027 3.65,1028 4.007,1029 4.902,1031 7.653,1032 3.904,1033 7.535,1034 1,1035 9.097,1036 2.844,1037 6.075,1038 7.382,1039 1.74,1040 10.783,1041 5.93,1042 8.895,1043 1,1044 10.837,1045 2.541,1046 6.494,1047 8.063,1049 12.602,1050 6.313,1051 10.289,1052 0.772,1053 12.617,1054 2.136,1055 7.991,1056 9.973,1057 1.692,1058 15.246,1059 7.779,1060 11.708,1061 0.571,1062 14.425,1063 1.516,1064 8.807,1065 11.08,1067 17.405,1068 8.554,1069 13.147,1070 0.344,1071 16.252,1072 1.294,1073 10.082,1074 12.754,1075 1.676,1076 19.893,1077 9.799,1078 3.246,1079 -0.169,1080 18.095,1081 0.478,1082 11.08,1083 14.072,1085 22.195,1086 10.754,1087 2.932,1088 11.453,1089 19.949,1090 -0.342,1091 12.271,1092 15.648,1093 1.688,1094 24.633,1095 11.912,1096 2.741,1097 9.508,1098 21.812,1099 4.633,1100 13.352,1101 17.07,1103 26.999,1104 12.951,1105 2.279,1106 9.062,1107 23.682,1108 3.922,1109 14.513,1110 18.608,1111 1.723,1112 29.424,1113 14.076,1114 2.18,1115 6.794,1116 25.559,1117 3.687,1118 15.633,1119 20.081,1121 31.821,1122 15.154,1123 1.758,1124 6.464,1125 27.44,1126 3.089,1127 16.787,1128 21.607,1129 1.776,1130 34.245,1131 16.27,1132 1.55,1133 4.788,1134 29.327,1135 2.846,1136 17.926,1137 23.106,1139 36.659,1140 17.368,1141 9170,1142 15568,1143 20.978,1144 31.716,1145 46.329,1146 47.865,1147 48.088,1148 46.011,1149 46.105,1150 63.583,1151 5.557,1152 133.047,1153 44.25,1154 5.527,1155 5.622,1156 6.67,1157 5.279,1158 5.246,1159 7.633,1160 2.117,1161 18.98,1162 5.123,1163 11.877,1164 1.494,1165 1.544,1166 1.551,1167 1.484,1168 1.487,1169 2.051,1170 0.179,1171 4.292,1172 1.427,1173 4.137,1174 4.184,1175 4.117,1176 3.987,1177 7.429,1178 4.01,1179 3.921,1180 3.94,1181 3.876,1182 3.825,1183 5.116,1184 3.833,1185 3.83,1186 3.863,1187 3.766,1188 3.739,1189 4.919,1190 3.745,1191 3.446,1192 3.479,1193 3.388,1194 3.304,1195 4.722,1196 3.314,1197 3.32,1198 3.368,1199 3.18,1200 3.03,1201 4.603,1202 3.056,1203 3.178,1204 3.257,1205 3.069,1206 2.897,1207 4.408,1208 2.925,1209 3.114,1210 3.191,1211 2.892,1212 2.856,1213 4.183,1214 2.849,1215 2.913,1216 2.973,1217 2.831,1218 2.773,1219 3.914,1220 2.777,1221 0.151,1222 0.117,1223 0.222,1224 0.136,1225 0.105,1226 4.679,1227 0.149,1228 3.622,1229 0.034,1230 6.869,1231 0.369,1232 4.208,1233 0.101,1234 3.246,1235 4.633,1236 1.058,1237 11.453,1238 3.123,1239 1.968,1240 1.938,1241 2.057,1242 2.098,1243 1.154,1244 2.08,1245 1.878,1246 1.861,1247 1.967,1248 2.004,1249 1.066,1250 1.991,1251 1.726,1252 1.689,1253 1.82,1254 1.866,1255 0.882,1256 1.863,1257 1.479,1258 1.447,1259 1.595,1260 1.681,1261 0.618,1262 1.648,1263 1.238,1264 1.179,1265 1.576,1266 1.566,1267 0.585,1268 1.57,1269 1.135,1270 1.041,1271 1.531,1272 1.443,1273 0.556,1274 1.475,1275 1.016,1276 0.945,1277 1.213,1278 1.313,1279 0.231,1280 1.285,1281 0.893,1282 0.826,1283 1.181,1284 1.104,1285 0.218,1286 1.11,1287 4.143,1289 5.46,1290 2.398,1291 6.987,1292 4.727,1293 8.609,1294 6.862,1295 10.28,1297 3.105,1305 2.853,1306 10.547,1314 30.918,1315 74.032,1316 161.991,1317 195.29,1318 223.819,1319 230.574,1320 236.574,1321 42.001,1322 7.713,1323 77.75,1324 77.75,1325 23,1326 12.65,1327 4.585,1328 3.7,1329 42.365,1330 107,1331 102,1332 0.194,1333 189.601,1334 320.15,1335 454.385,1336 24414,1338 19.51,1339 0.697,1340 0.551,1341 19.51,1342 15.417,1343 13.707,1344 0.442,1345 0.278,1346 8.459,1347 13.048,1348 8.235,1349 6.881,1350 13.707,1351 8.625,1352 11.79,1353 0.274,1354 0.14,1355 11.79,1356 6.01,1357 10.569,1358 0.176,1359 0.073,1360 10.569,1361 4.37,1362 9.021,1363 0.113,1364 0.037,1365 9.021,1366 2.981,1367 7.21,1368 0.072,1369 0.019,1370 7.21,1371 1.928,1372 0.302,1373 86.904,1374 0.218,1375 26.537,1376 0.541,1377 148,1378 476.475,1379 164.27,1380 454.505,1381 628.37,1382 428,1383 177,1384 469.964,1385 194.66,1386 475.465,1387 694.93,1388 445,1389 5.1}
{0 CHEMBL1982271,1 1.627,2 13.2,3 2.977,4 8.86,5 119.737,6 7.643,7 0.485,8 4.126,9 4.265,10 3.714,11 3.625,12 5.179,13 3.606,14 4.69,15 4.891,16 4.097,17 4.036,18 5.72,19 3.988,20 4.959,21 5.191,22 4.096,23 4.184,24 5.903,25 4.088,26 5.038,27 5.316,28 4.115,29 4.144,30 5.966,31 4.041,32 4.923,33 5.164,34 4.032,35 4.061,36 5.969,37 3.977,38 4.844,39 5.082,40 4.086,41 4.055,42 5.827,43 3.958,44 4.824,45 5.057,46 3.959,47 4.056,48 5.784,49 3.912,50 4.828,51 5.101,52 3.708,53 3.962,54 5.638,55 3.79,56 0.045,57 0.888,58 11.6,59 4.508,60 8.186,61 6.485,62 0.365,63 1.393,64 23.725,65 7.738,66 31.058,67 11.43,68 0.411,69 1.636,70 33.4,71 10.466,72 45.662,73 15.514,74 0.49,75 1.608,76 39.194,77 11.131,78 52.743,79 17.142,80 0.587,81 1.452,82 34.681,83 9.24,84 72.778,85 13.443,86 0.481,87 1.36,88 34.002,89 9.17,90 51.841,91 13.381,92 0.508,93 1.297,94 36.225,95 10.366,96 49.769,97 14.622,98 0.361,99 1.235,100 35.628,101 10.546,102 41.449,103 15.347,104 21,105 46,106 0.267,107 0.617,108 0.771,109 0.797,110 0.815,111 0.838,112 3.44,113 0.957,114 -3.61,115 -3.58,116 -3.41,119 37.5,121 4,124 2,125 1,127 2,142 3,143 2,145 1,146 1,147 1,150 1,151 1,158 1,161 1,172 5,174 1,175 6,178 4,180 6,183 6,187 1,188 3,191 1,193 5,196 4,200 9,203 1,205 5,208 2,212 1,213 11,217 1,218 1,221 2,225 3,228 1,229 1,230 2,233 7,237 1,238 2,241 4,243 1,246 9,253 1,255 2,258 4,263 2,264 2,269 5,272 4,276 1566,277 20.118,278 20.118,279 20.118,280 20.118,281 20.118,282 18.121,283 20.947,284 11.957,285 20.704,286 16.358,287 16.358,288 16.358,289 16.358,290 16.358,291 13.296,292 32.655,293 5.762,294 17.355,295 4.18,296 2.052,297 1.112,298 0.956,299 0.848,300 0.706,301 4.136,303 1,305 1,306 1,307 857,308 3.606,311 67.7,312 289.793,315 127.695,319 2.08,320 27.471,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 64.833,332 396,333 4.6,334 3.617,335 6.714,336 4.141,337 3.167,338 4.535,339 1.959,340 10.928,341 3.088,342 4.152,343 3.205,344 5.872,345 3.731,346 2.788,347 3.816,348 0.815,349 8.381,350 2.656,351 3.812,352 2.976,353 5.603,354 3.615,355 2.667,356 2.965,357 0.4,358 7.664,359 2.499,360 3.631,361 2.759,362 5.448,363 3.42,364 2.454,365 2.933,366 0.163,367 7.181,368 2.366,369 3.494,370 2.497,371 5.174,372 3.163,373 2.219,374 2.663,376 6.376,377 2.093,378 3.29,379 2.414,380 4.96,381 2.997,382 2.094,383 2.428,385 5.869,386 1.884,387 3.047,388 2.308,389 4.691,390 2.739,391 1.844,392 2.319,394 5.117,395 1.637,396 3.038,397 1.977,398 4.502,399 2.619,400 1.656,401 2.134,403 4.233,404 1.519,405 2.918,406 1.547,407 4.211,408 2.513,409 1.547,410 2.041,412 4.057,413 1.488,414 2.843,415 1.457,416 4.004,417 2.374,418 1.433,419 1.839,421 3.443,422 1.322,423 2.524,424 1.037,425 3.564,426 2,427 1.028,428 1.535,430 2.559,431 1,432 2,433 1,434 3.414,435 1.989,436 1,437 1,439 2.275,440 0.982,441 1.973,442 0.759,443 3.094,444 1.428,445 0.489,446 0.721,448 1.18,449 0.458,450 1.375,451 0.503,452 3.021,453 1.21,454 0.262,455 0.279,457 0.674,458 0.247,459 1,460 0.46,461 2.685,462 0.733,463 -0.203,464 -0.219,466 -0.585,467 -0.188,468 14.348,469 0.478,470 0.784,471 0.026,472 36.75,473 1.225,474 16,475 0.533,476 20.75,477 0.692,478 27.723,479 0.924,480 33.052,481 0.59,482 26.677,483 0.889,484 6.965,485 0.232,486 7.51,487 0.25,488 0.143,490 0.342,496 0.821,497 1.575,498 0.683,499 1.104,500 0.604,501 0.986,502 0.733,503 1.066,504 0.732,505 0.926,506 0.497,507 0.916,508 0.989,509 1.16,510 0.913,511 1.046,512 1.01,513 1.061,514 0.813,515 0.969,516 0.675,517 0.848,518 0.79,519 0.816,520 1.664,521 0.927,522 1.042,523 0.819,524 2.111,525 0.907,526 1.27,527 0.973,528 1.141,529 0.918,530 1.277,531 0.941,532 0.966,533 0.929,534 1.501,535 1.227,536 0.828,537 1.207,538 0.859,539 0.969,540 1.216,541 1.13,542 0.774,543 1.094,544 7,545 0.162,546 2.444,547 2.257,548 1.303,549 0.736,550 0.859,551 0.326,552 0.333,553 0.121,554 12878,555 34076,556 2.087,557 46.4,559 13,560 1,561 1,562 3,564 8,567 1.724,568 1.957,569 3.661,570 0.933,572 1,577 91.11,578 1.627,579 3.755,580 4.695,581 4.852,582 4.959,583 5.102,584 3.127,585 4.482,586 4.875,587 3.853,588 1676.25,589 8.484,590 24077.4,592 1,595 325.212,596 1.4,597 4.839,598 0.212,599 0.007,600 0.053,601 0.051,602 0.03,603 0.019,604 0.022,605 0.01,606 0.012,607 0.005,608 0.422,609 0.33,610 1,611 1.205,612 156.634,613 -0.073,614 -0.281,615 0.031,616 -0.07,617 -0.024,618 -0.006,619 0.137,620 0.104,621 0.064,622 0.045,623 0.164,624 0.041,625 -0.069,626 -0.113,627 -0.063,628 -0.072,629 -0.081,630 -0.088,631 0.09,632 -0.035,633 0.208,634 0.101,635 0.11,636 0.166,637 -0.283,638 0.065,639 -0.076,640 0.112,641 -0.316,642 0.019,643 -0.119,644 0.036,646 0.077,647 -0.138,648 0.027,649 0.032,650 0.056,651 -0.193,652 -0.153,653 -0.01,654 -0.187,655 -0.031,656 -0.079,657 -0.079,658 -0.085,659 -0.047,660 -0.055,661 1.59,662 4.965,663 0.7,664 33.693,665 1.004,666 1.139,667 2.381,668 5.672,669 0.66,670 3.526,671 3.85,672 4.078,673 4.382,674 4.564,675 4.654,676 4.796,677 4.934,678 4.984,679 5.069,680 7.667,681 0.624,682 427.99,683 3.526,684 5.069,685 5.905,686 6.786,687 7.64,688 8.525,689 9.389,690 10.278,691 11.148,692 12.039,693 12.5,696 1,698 1,700 1,701 1,703 3,708 2,709 5,710 3,711 1,714 4,716 16,728 1,734 1,735 56,737 17,739 33,741 59,742 21,743 11,748 4,749 5,750 1,757 6,760 6,762 12,763 9,767 1,772 1,776 1,780 1,783 26,784 7,785 3,786 9,787 1,792 7,797 0.75,798 1,809 1,810 1,811 1,815 1,816 3,819 1,829 1,839 1,843 3,847 2,848 1,851 30,858 5,860 2,863 2,864 1,873 1,874 1.8,877 1,881 15.333,882 10.443,883 6.5,884 3.366,886 3.259,887 1.415,888 0.981,889 6.518,890 11.11,891 3.761,892 4.341,893 4.889,894 5.519,895 6.019,896 6.371,897 6.815,898 7.267,899 7.477,900 7.851,901 0.889,902 44,903 11.093,905 4.697,906 7.681,907 21.394,909 17.694,911 2.181,912 65.444,915 1,916 270.735,917 95.466,918 106.288,919 39.149,920 25.145,923 95.466,924 335.029,925 106.288,926 16.793,927 30.255,928 37.476,929 111.703,930 37.473,931 55.891,932 247.193,934 270.735,935 201.754,936 25.145,937 39.149,939 176.567,940 119.314,943 65.583,944 67.804,945 68.367,946 39.149,947 270.735,948 131.433,949 134.615,952 270.735,953 32.15,954 66.441,955 52.807,956 114.65,957 270.735,958 131.433,959 134.615,961 0.58,962 0.318,963 0.182,964 0.094,965 22,966 10,967 0.102,968 6,969 1,970 1.095,971 4.219,972 261.926,973 0.095,974 21,975 141.207,981 21.041,982 9.294,983 5.298,984 1.804,985 114.647,986 9.309,987 13.38,988 3.167,991 2.611,993 52.807,994 536.783,995 42,1000 11.965,1004 0.076,1007 56.2,1008 63.794,1009 0.28,1010 0.647,1011 0.809,1012 0.835,1013 0.854,1014 0.879,1015 5.004,1016 1.656,1017 5.889,1018 5.117,1019 4.533,1020 5.027,1021 2.183,1022 6.673,1023 4.425,1024 6.194,1025 1.547,1026 7.425,1027 4.233,1028 4.111,1029 4.832,1030 1.668,1031 7.486,1032 3.941,1033 7.488,1034 1.433,1035 9.055,1036 4.057,1037 6.098,1038 7.198,1039 3.06,1040 10.583,1041 5.906,1042 8.814,1043 1.028,1044 10.74,1045 3.443,1046 6.447,1047 7.854,1048 3.135,1049 12.251,1050 6.217,1051 10.173,1052 1,1053 12.464,1054 2.559,1055 7.928,1056 9.725,1057 4.223,1058 14.872,1059 7.673,1060 11.557,1061 0.489,1062 14.216,1063 2.275,1064 8.66,1065 10.818,1066 4.573,1067 16.938,1068 8.38,1069 12.962,1070 0.262,1071 15.991,1072 1.18,1073 9.925,1074 12.476,1075 5.481,1076 19.395,1077 9.618,1078 3.167,1079 -0.203,1080 17.785,1081 0.674,1082 10.854,1083 13.785,1084 5.975,1085 21.643,1086 10.528,1087 2.788,1088 10.928,1089 19.594,1090 -0.585,1091 12.028,1092 15.35,1093 6.781,1094 24.048,1095 11.677,1096 2.667,1097 8.381,1098 21.418,1099 4.535,1100 13.057,1101 16.763,1102 7.353,1103 26.375,1104 12.688,1105 2.454,1106 7.664,1107 23.253,1108 3.816,1109 14.196,1110 18.29,1111 8.101,1112 28.766,1113 13.805,1114 2.219,1115 7.181,1116 25.098,1117 2.965,1118 15.277,1119 19.752,1120 8.717,1121 31.128,1122 14.868,1123 2.094,1124 6.376,1125 26.951,1126 2.933,1127 16.407,1128 21.264,1129 9.432,1130 33.516,1131 15.977,1132 1.844,1133 5.869,1134 28.813,1135 2.663,1136 17.514,1137 22.748,1138 10.073,1139 35.893,1140 17.065,1141 12302,1142 20204,1143 22.076,1144 36.966,1145 49.756,1146 50.269,1147 50.483,1148 49.49,1149 49.298,1150 62.419,1151 6.674,1152 139.873,1153 46.479,1154 5.6,1155 5.617,1156 6.396,1157 5.216,1158 5.167,1159 7.535,1160 3.43,1161 18.109,1162 5.088,1163 15.024,1164 1.508,1165 1.523,1166 1.53,1167 1.5,1168 1.494,1169 1.891,1170 0.202,1171 4.239,1172 1.408,1173 4.126,1174 4.166,1175 4.114,1176 4.015,1177 7.429,1178 4.029,1179 3.918,1180 3.977,1181 3.919,1182 3.776,1183 5.139,1184 3.774,1185 3.766,1186 3.818,1187 3.774,1188 3.61,1189 5.006,1190 3.627,1191 3.667,1192 3.738,1193 3.561,1194 3.441,1195 4.514,1196 3.46,1197 3.379,1198 3.45,1199 3.354,1200 3.22,1201 4.372,1202 3.225,1203 3.336,1204 3.407,1205 3.26,1206 3.101,1207 4.314,1208 3.112,1209 3.113,1210 3.206,1211 3.144,1212 2.941,1213 4.25,1214 2.91,1215 3.111,1216 3.182,1217 2.94,1218 2.889,1219 3.981,1220 2.897,1221 0.139,1222 0.11,1223 0.203,1224 0.125,1225 0.096,1226 4.6,1227 0.137,1228 3.617,1229 0.059,1230 6.714,1231 0.331,1232 4.141,1233 0.094,1234 3.167,1235 4.535,1236 1.959,1237 10.928,1238 3.088,1239 1.912,1240 1.88,1241 2.085,1242 2.064,1243 1.477,1244 2.071,1245 1.873,1246 1.823,1247 1.967,1248 2.004,1249 1.082,1250 1.996,1251 1.723,1252 1.678,1253 1.853,1254 1.918,1255 0.996,1256 1.894,1257 1.607,1258 1.534,1259 1.789,1260 1.86,1261 0.84,1262 1.859,1263 1.389,1264 1.324,1265 1.56,1266 1.633,1267 0.825,1268 1.618,1269 1.277,1270 1.201,1271 1.513,1272 1.548,1273 0.779,1274 1.541,1275 1.153,1276 1.064,1277 1.494,1278 1.376,1279 0.551,1280 1.429,1281 1.075,1282 1.005,1283 1.417,1284 1.328,1285 0.495,1286 1.343,1287 4.205,1289 5.525,1290 2.398,1291 7.024,1292 4.727,1293 8.608,1294 6.843,1295 10.239,1297 3.791,1298 6.289,1303 4.154,1305 6.543,1308 0.48,1309 1.875,1314 34.96,1315 91.11,1316 210.279,1317 262.947,1318 271.702,1319 277.702,1320 285.702,1321 51.09,1322 7.851,1323 98.83,1324 98.83,1325 23,1326 12.571,1327 4.17,1328 3.322,1329 47.316,1330 137,1331 144,1332 0.166,1333 219.106,1334 369.6,1335 526.379,1336 30298,1337 1.8,1338 21.087,1339 0.703,1340 0.597,1341 21.587,1342 17.908,1343 14.474,1344 0.439,1345 0.319,1346 10.029,1347 13.608,1348 9.735,1349 8.093,1350 14.763,1351 10.532,1352 13.481,1353 0.293,1354 0.182,1355 13.889,1356 8.387,1357 10.313,1358 0.178,1359 0.095,1360 10.549,1361 5.501,1362 9.353,1363 0.118,1364 0.052,1365 9.671,1366 4.097,1367 7.037,1368 0.074,1369 0.029,1370 7.269,1371 2.767,1372 0.267,1373 93.922,1374 0.213,1375 28.771,1376 0.437,1377 158,1378 441.518,1379 189.678,1380 460.762,1381 621.28,1382 430,1383 183,1384 436.922,1385 208.158,1386 454.185,1387 661.77,1388 425,1389 6.6}
{0 CHEMBL1982361,1 1.741,2 9.318,3 0.903,4 0.816,5 81.89,6 8.744,7 0.5,8 3.655,9 3.759,10 3.342,11 3.229,12 4.939,13 3.245,14 4.09,15 4.225,16 3.639,17 3.52,18 5.397,19 3.53,20 4.313,21 4.494,22 3.683,23 3.56,24 5.744,25 3.546,26 4.303,27 4.513,28 3.488,29 3.465,30 5.611,31 3.425,32 4.203,33 4.404,34 3.456,35 3.419,36 5.481,37 3.404,38 4.108,39 4.261,40 3.544,41 3.365,42 5.551,43 3.395,44 4.087,45 4.232,46 3.507,47 3.251,48 5.784,49 3.287,50 3.96,51 4.149,52 3.173,53 3.081,54 5.556,55 3.066,56 0.103,57 0.571,58 4.701,59 2.779,60 12,61 2.956,62 0.193,63 0.859,64 8.423,65 4.301,66 23.86,67 4.702,68 0.466,69 1.032,70 13.467,71 5.622,72 65.949,73 6.654,74 0.572,75 1.021,76 15.355,77 5.645,78 70.21,79 6.497,80 0.422,81 0.83,82 14.116,83 5.167,84 69.048,85 5.834,86 0.321,87 0.767,88 10.91,89 4.484,90 49.686,91 4.681,92 0.542,93 0.759,94 10.85,95 4.156,96 82.079,97 4.143,98 0.497,99 0.625,100 11.281,101 4.02,102 86.888,103 4.354,104 10,105 33,106 0.317,107 0.651,108 0.768,109 0.851,110 0.873,111 0.873,112 3.146,113 0.83,114 -2.39,115 -2.42,116 -2.37,119 47.1,125 1,138 2,142 6,143 1,144 2,145 2,156 2,172 4,175 2,180 3,183 5,187 1,191 2,192 1,193 1,196 2,203 3,205 2,213 3,218 4,225 4,230 1,237 1,238 3,241 1,243 2,246 2,249 1,250 3,255 1,258 2,264 2,272 4,276 688,277 14.897,278 14.897,279 14.897,280 14.897,281 14.897,282 12.912,283 15.921,284 8.873,285 15.077,286 11.813,287 11.813,288 11.813,289 11.813,290 11.813,291 8.801,292 24.705,293 4.206,294 12.092,295 3.346,296 1.515,297 0.868,298 0.412,299 0.294,300 0.294,301 3.824,305 1,306 1,307 438,308 2.55,310 55.674,312 151.6,319 1.5,320 32.834,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 49,332 205,333 4.651,334 3.967,335 6.95,336 4.305,337 3.298,338 4.158,339 0.657,340 11.621,341 3.322,342 4.158,343 3.185,344 6.021,345 3.756,346 2.789,347 3.772,348 0.4,349 8.549,350 2.691,351 3.881,352 2.846,353 5.409,354 3.462,355 2.49,356 3.428,358 7.097,359 2.416,360 3.104,361 2.687,362 4.946,363 2.705,364 1.73,365 2.204,367 4.902,368 1.677,369 2.987,370 2.335,371 4.822,372 2.581,373 1.608,374 2.129,376 4.498,377 1.558,378 2.881,379 2.012,380 4.205,381 2.424,382 1.414,383 2.015,385 3.803,386 1.424,387 2.835,388 1.606,389 3.61,390 2.375,391 1.414,392 1.931,394 2.981,395 1.342,396 2.765,397 1.506,398 3.598,399 2.259,400 1.279,401 1.735,403 2.969,404 1.24,405 2.5,406 1.196,407 3.251,408 1.984,409 1,410 1.5,412 2.136,413 0.983,414 2.015,415 1,416 3.247,417 1.645,418 0.648,419 0.817,421 1.519,422 0.638,423 1.471,424 0.644,425 2.841,426 1.108,427 0.116,428 0.149,430 0.278,431 0.113,432 1.059,433 0.268,434 2.352,435 0.676,436 -0.246,437 -0.3,439 -0.56,440 -0.22,441 0.802,442 -0.129,443 2,444 0.411,445 -0.567,446 -0.739,448 -1.301,449 -0.546,450 0.598,451 -0.371,452 2,453 0.156,454 -0.833,455 -1.125,457 -1.967,458 -0.818,459 0.5,460 -0.596,461 1.743,462 -0.049,463 -1,464 -1.5,466 -2.347,467 -0.946,468 10.152,469 0.461,470 0.507,471 0.023,472 31.25,473 1.42,474 17,475 0.773,476 14.25,477 0.648,478 12.925,479 0.587,480 22.848,481 0.672,482 22.134,483 1.006,484 6.59,485 0.3,486 4.075,487 0.185,488 0.094,490 0.345,494 1,496 0.626,497 1.012,498 0.641,499 0.911,500 0.528,501 0.804,502 0.761,503 1.178,504 0.821,505 1.13,506 0.657,507 1.019,508 0.74,509 1.143,510 0.918,511 1.121,512 0.7,513 1.089,514 1.087,515 0.954,516 1.186,517 0.98,518 1.113,519 1.079,520 1.161,521 0.819,522 0.992,523 0.811,524 1.164,525 0.829,526 1.206,527 1.031,528 0.891,529 1.019,530 1.258,531 0.899,532 1.212,533 0.923,534 1.054,535 1.049,536 1.376,537 1.027,538 1.217,539 0.852,540 1.13,541 0.893,542 1.312,543 0.968,544 3.5,545 0.033,546 2.667,547 1.938,548 0.996,549 0.729,550 0.509,551 0.333,552 0.193,553 0.064,554 5136,555 17585,556 2.07,557 35.3,559 8,561 2,562 2,567 1.645,568 1.941,569 3.221,570 0.348,572 1,574 1,577 59.199,578 1.741,579 3.572,580 4.22,581 4.676,582 4.793,583 4.793,584 2.681,585 3.845,586 4.433,587 3.359,588 775.95,589 7.616,590 8736.06,591 1,592 1,595 172.974,596 1.395,597 4.392,598 0.146,599 0.003,600 0.086,601 0.065,602 0.041,603 0.029,604 0.019,605 0.014,606 0.011,607 0.005,608 0.419,609 0.5,610 1,611 0.595,612 101.823,613 -0.07,614 -0.05,615 0.008,616 0.025,617 -0.048,618 0.044,619 -0.081,620 -0.222,621 -0.062,622 -0.2,623 -0.042,624 -0.14,625 0.146,626 -0.156,627 0.018,628 -0.17,629 0.134,630 -0.137,631 -0.013,632 0.142,633 -0.152,634 -0.006,635 -0.096,636 -0.096,637 -0.184,638 0.075,639 0.025,640 0.168,641 -0.149,642 0.176,643 -0.174,644 -0.17,645 0.037,646 -0.068,647 -0.127,648 0.024,649 0.103,650 0.036,651 -0.081,652 -0.116,653 0.071,654 -0.158,655 0.027,656 0.076,657 -0.057,658 0.093,659 0.054,660 0.017,661 2.27,662 5.549,663 0.727,664 17.041,665 1.026,666 1.127,667 1.157,668 1.339,669 0.696,670 3.219,671 3.526,672 3.807,673 3.951,674 4.078,675 4.06,676 4.174,677 4.248,678 4.248,679 4.19,680 5.685,681 0.692,682 297.31,683 3.219,684 4.745,685 5.595,686 6.463,687 7.332,688 8.21,689 9.089,690 9.974,691 10.86,692 11.75,693 8.8,695 1,698 1,703 1,709 8,710 1,714 3,716 12,728 1,734 1,735 34,737 15,738 1,739 24,741 36,742 16,743 11,744 2,745 4,746 4,748 3,749 3,762 15,763 1,767 3,772 2,776 4,779 1,780 1,781 1,783 12,784 6,785 2,786 6,792 3,797 1,798 2,809 1,814 1,816 2,827 2,834 2,838 1,843 3,849 1,851 22,858 1,860 2,873 1,874 5.9,877 2,881 11.333,882 6.093,883 4.889,884 1.891,886 2.4,887 1.358,888 1.008,889 3.879,890 9.105,891 3.526,892 4.094,893 4.649,894 5.047,895 5.436,896 5.386,897 5.699,898 6.056,899 6.342,900 6.514,901 1,902 30,903 8.154,905 3.582,906 8.189,907 14.847,909 11.985,911 2.689,912 59.167,916 117.711,917 107.902,918 52.807,920 50.29,921 14.96,923 107.902,924 168.001,925 67.767,927 2.106,928 74.868,929 124.409,930 33.158,931 14.96,932 94.169,934 117.711,935 160.709,936 65.25,939 132.671,940 50.29,943 38.211,944 82.188,945 40.31,947 132.671,948 103.097,949 107.902,952 117.711,953 32.949,954 74.952,955 36.022,956 82.035,957 117.711,958 118.057,959 107.902,961 0.579,962 0.346,963 0.173,964 0.086,965 16,966 7,967 0.139,968 5,970 1,971 3.528,972 165.681,974 16,975 94.107,981 14.27,982 5.981,983 2.869,985 118.057,986 12.75,987 3.87,991 0.707,993 36.022,994 343.67,995 33,1000 23.307,1004 -0.835,1007 34.891,1008 38.329,1009 0.342,1010 0.702,1011 0.829,1012 0.919,1013 0.942,1014 0.942,1015 4.745,1016 1.279,1017 5.572,1018 2.981,1019 4.205,1020 4.779,1021 0.781,1022 6.382,1023 4.166,1024 5.949,1025 1,1026 7.135,1027 2.969,1028 3.761,1029 4.494,1031 7.302,1032 3.733,1033 7.26,1034 0.648,1035 8.806,1036 2.136,1037 5.814,1038 6.944,1039 0.354,1040 10.495,1041 5.756,1042 8.614,1043 0.116,1044 10.544,1045 1.519,1046 6.275,1047 7.524,1049 12.322,1050 6.246,1051 10.007,1052 -0.246,1053 12.328,1054 0.278,1055 7.774,1056 9.411,1057 0.157,1058 15.04,1059 7.722,1060 11.428,1061 -0.567,1062 14.143,1063 -0.56,1064 8.638,1065 10.39,1067 17.222,1068 8.618,1069 12.871,1070 -0.833,1071 15.984,1072 -1.301,1073 9.926,1074 12.033,1075 0.069,1076 19.779,1077 9.897,1078 3.298,1079 -1,1080 17.843,1081 -1.967,1082 10.968,1083 13.208,1085 22.11,1086 10.965,1087 2.789,1088 11.621,1089 19.717,1090 -2.347,1091 12.179,1092 14.732,1093 0.03,1094 24.606,1095 12.178,1096 2.49,1097 8.549,1098 21.603,1099 4.158,1100 13.297,1101 16.01,1103 27.002,1104 13.317,1105 1.73,1106 7.097,1107 23.497,1108 3.772,1109 14.484,1110 17.475,1111 0.013,1112 29.473,1113 14.512,1114 1.608,1115 4.902,1116 25.4,1117 3.428,1118 15.637,1119 18.81,1121 31.899,1122 15.682,1123 1.414,1124 4.498,1125 27.309,1126 2.204,1127 16.818,1128 20.246,1129 0.006,1130 34.36,1131 16.874,1132 1.414,1133 3.803,1134 29.222,1135 2.129,1136 17.988,1137 21.614,1139 36.799,1140 18.058,1141 4994,1142 9345,1143 16.008,1144 23.671,1145 36.246,1146 38.095,1147 37.303,1148 35.668,1149 35.572,1150 47.671,1151 2.115,1152 100.704,1153 34.808,1154 5.597,1155 5.967,1156 6.752,1157 5.341,1158 5.298,1159 7.158,1160 1.315,1161 19.621,1162 5.322,1163 9.884,1164 1.51,1165 1.587,1166 1.554,1167 1.486,1168 1.482,1169 1.986,1170 0.088,1171 4.196,1172 1.45,1173 3.999,1174 4.026,1175 3.969,1176 3.883,1177 8.201,1178 3.896,1179 3.891,1180 3.922,1181 3.842,1182 3.797,1183 7.501,1184 3.807,1185 3.784,1186 3.809,1187 3.739,1188 3.663,1189 7.349,1190 3.678,1191 3.236,1192 3.31,1193 3.096,1194 3.051,1195 4.917,1196 3.049,1197 2.917,1198 2.995,1199 2.843,1200 2.735,1201 4.659,1202 2.734,1203 2.899,1204 2.957,1205 2.821,1206 2.733,1207 4.385,1208 2.715,1209 2.854,1210 2.925,1211 2.687,1212 2.615,1213 4.007,1214 2.661,1215 2.677,1216 2.745,1217 2.568,1218 2.427,1219 3.674,1220 2.453,1221 0.194,1222 0.165,1223 0.29,1224 0.179,1225 0.137,1226 4.651,1227 0.173,1228 3.967,1229 0.027,1230 6.95,1231 0.484,1232 4.305,1233 0.138,1234 3.298,1235 4.158,1236 0.657,1237 11.621,1238 3.322,1239 1.922,1240 1.897,1241 2.022,1242 2.06,1243 1.154,1244 2.041,1245 1.861,1246 1.835,1247 1.953,1248 1.979,1249 1.004,1250 1.979,1251 1.728,1252 1.707,1253 1.794,1254 1.874,1255 0.856,1256 1.853,1257 1.209,1258 1.141,1259 1.462,1260 1.445,1261 0.614,1262 1.453,1263 0.886,1264 0.821,1265 1.181,1266 1.125,1267 0.218,1268 1.107,1269 0.86,1270 0.804,1271 1.121,1272 1.068,1273 0.161,1274 1.087,1275 0.784,1276 0.706,1277 0.991,1278 1.062,1280 1.079,1281 0.596,1282 0.527,1283 0.853,1284 0.883,1286 0.874,1287 3.892,1289 5.242,1291 6.817,1293 8.481,1295 10.186,1299 13.549,1303 0.128,1305 5.69,1314 23.511,1315 59.199,1316 121.464,1317 143.464,1318 158.974,1319 162.974,1320 162.974,1321 46.69,1322 6.706,1323 71.09,1324 71.09,1325 16,1326 12.28,1327 4,1328 3.322,1329 34.438,1330 73,1331 68,1332 0.226,1333 145.295,1334 259.37,1335 346.279,1336 6789,1337 2.9,1338 15.527,1339 0.706,1340 0.521,1341 14.656,1342 11.468,1343 10.665,1344 0.444,1345 0.277,1346 6.535,1347 10.224,1348 6.44,1349 5.321,1350 10.254,1351 6.642,1352 9.385,1353 0.284,1354 0.143,1355 8.867,1356 4.714,1357 8.22,1358 0.187,1359 0.074,1360 7.693,1361 3.273,1362 6.206,1363 0.122,1364 0.04,1365 5.881,1366 2.022,1367 4.652,1368 0.08,1369 0.022,1370 4.484,1371 1.255,1372 0.352,1373 67.371,1374 0.25,1375 21.838,1376 0.624,1377 114,1378 435.893,1379 127.2,1380 394.832,1381 520.21,1382 366,1383 134,1384 365.662,1385 148.22,1386 364.486,1387 532.77,1388 343,1389 5.1}
{0 CHEMBL1982383,1 1.618,2 10.906,3 2.868,4 8.223,5 121.363,6 7.51,7 0.629,8 4.163,9 4.298,10 3.726,11 3.658,12 5.317,13 3.652,14 4.682,15 4.87,16 4.099,17 4.053,18 5.789,19 4.028,20 4.94,21 5.152,22 4.184,23 4.204,24 6.034,25 4.151,26 5.096,27 5.364,28 4.155,29 4.203,30 6.128,31 4.144,32 4.922,33 5.146,34 4.204,35 4.212,36 5.977,37 4.166,38 4.963,39 5.173,40 4.248,41 4.257,42 6.141,43 4.214,44 4.985,45 5.197,46 4.142,47 4.265,48 6.049,49 4.184,50 5.014,51 5.262,52 4.025,53 4.157,54 6.085,55 4.055,56 0.081,57 0.982,58 11.853,59 4.748,60 15.777,61 6.467,62 0.291,63 1.534,64 22.059,65 8.003,66 38.766,67 11.144,68 0.354,69 1.86,70 29.823,71 10.284,72 49.784,73 14.625,74 0.78,75 1.883,76 39.242,77 10.453,78 91.853,79 15.978,80 0.407,81 1.797,82 29.457,83 9.501,84 39.424,85 14.195,86 0.595,87 1.933,88 30.221,89 9.198,90 61.911,91 13.771,92 0.328,93 1.932,94 30.764,95 11.127,96 38.203,97 16.04,98 0.457,99 1.859,100 33.963,101 11.356,102 61.473,103 16.622,104 36,105 50,106 0.262,107 0.643,108 0.812,109 0.85,110 0.85,111 0.85,112 3.503,113 0.893,114 -3.64,115 -3.61,116 -3.44,119 39.7,120 2,121 1,123 1,125 3,142 5,143 1,144 1,145 2,146 3,150 1,151 1,152 1,161 1,163 1,164 1,165 1,172 6,174 2,175 4,178 2,180 3,183 5,185 1,187 3,188 6,193 4,196 2,199 1,200 8,202 1,203 1,204 1,205 1,208 1,212 1,213 9,215 2,216 3,221 3,224 2,225 7,228 3,230 1,233 6,238 5,243 3,246 4,248 1,249 1,250 6,252 1,253 2,255 7,258 1,260 3,264 2,267 1,269 2,272 4,274 2,276 1968,277 21.602,278 21.602,279 21.602,280 21.602,281 21.602,282 19.078,283 13.999,284 12.596,285 22.082,286 17.162,287 17.162,288 17.162,289 17.162,290 17.162,291 13.314,292 16.338,293 5.817,294 18.021,295 4.24,296 1.891,297 0.847,298 0.612,299 0.612,300 0.612,301 4.196,305 1,306 1,307 740,308 3.937,311 66.32,312 268.357,315 129.549,319 1.605,320 35.682,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 70,332 349,333 4.767,334 3.372,335 7.065,336 4.303,337 3.353,338 4.724,339 0.4,340 12.229,341 3.187,342 4.195,343 3.228,344 6.69,345 4.169,346 3.179,347 3.792,349 10.767,350 3.149,351 4.144,352 2.928,353 6.262,354 3.722,355 2.76,356 3.667,358 9.32,359 2.657,360 4.044,361 2.83,362 5.881,363 3.61,364 2.656,365 3.235,367 8.205,368 2.533,369 3.745,370 2.628,371 5.412,372 3.305,373 2.372,374 3.15,376 6.993,377 2.201,378 3.491,379 2.335,380 5.054,381 3.075,382 2.139,383 2.834,385 6.013,386 1.987,387 3.22,388 1.998,389 5.012,390 2.813,391 1.869,392 2.467,394 5.648,395 1.759,396 3.016,397 1.559,398 4.419,399 2.467,400 1.526,401 2.266,403 4.039,404 1.431,405 2.743,406 1.42,407 4.286,408 2.279,409 1.322,410 1.847,412 3.552,413 1.261,414 2.606,415 1.251,416 3.645,417 2.086,418 1.15,419 1.656,421 2.679,422 1.072,423 2.5,424 1.191,425 3.557,426 2.058,427 1.117,428 1.5,430 2.371,431 1.048,432 2.369,433 1.135,434 3.463,435 2,436 1,437 1.341,439 2.275,440 1,441 1.993,442 1,443 3.414,444 1.639,445 0.726,446 0.867,448 1.627,449 0.66,450 1.825,451 0.784,452 3.172,453 1.582,454 0.65,455 0.773,457 1.422,458 0.604,459 1.37,460 0.741,461 2.868,462 1.214,463 0.34,464 0.348,466 0.477,467 0.294,468 14.919,469 0.466,470 0.844,471 0.026,472 42,473 1.313,474 20.5,475 0.641,476 21.5,477 0.672,478 28.744,479 0.898,480 34.881,481 0.601,482 34.33,483 1.073,484 8.139,485 0.254,486 7.275,487 0.227,488 0.135,489 0.034,490 0.295,494 1,496 0.839,497 1.297,498 0.796,499 1.093,500 0.794,501 0.96,502 0.782,503 1.044,504 0.786,505 0.949,506 0.699,507 0.882,508 0.883,509 1.196,510 0.948,511 1.154,512 0.815,513 1.078,514 1.157,515 0.76,516 0.902,517 0.621,518 1,519 0.688,520 0.69,521 0.925,522 0.828,523 0.888,524 0.473,525 0.872,526 0.815,527 0.903,528 1.029,529 0.924,530 0.602,531 0.98,532 0.725,533 1.168,534 1.054,535 1.269,536 0.675,537 1.23,538 0.753,539 1.118,540 1.011,541 1.218,542 0.72,543 1.178,544 7,545 0.288,546 3.778,547 2.104,548 2.118,549 1.316,550 0.836,551 0.663,552 0.487,553 0.431,554 12500,555 34996,556 2.056,557 44.8,558 6,559 11,560 1,561 2,562 4,563 2,567 1.753,568 1.91,569 3.386,570 1.601,572 1,577 93.858,578 1.618,579 3.967,580 5.011,581 5.246,582 5.246,583 5.246,584 2.88,585 4.688,586 4.965,587 3.576,588 1773.9,589 8.735,590 25226.8,592 1,595 339.763,596 1.574,597 4.918,598 0.2,599 0.01,600 0.076,601 0.04,602 0.042,603 0.024,604 0.015,605 0.014,606 0.012,607 0.012,608 0.444,609 0.17,610 1,611 1.387,612 165.482,613 -0.098,614 -0.165,615 0.027,616 -0.017,617 -0.115,618 0.022,619 0.021,620 0.009,621 0.103,622 0.074,623 0.008,624 0.094,625 -0.02,626 -0.152,627 -0.024,628 -0.143,629 -0.013,630 -0.097,631 -0.124,632 0.122,633 0.113,634 0.293,635 -0.094,636 0.258,637 -0.003,638 0.024,639 0.081,640 0.084,641 0.019,642 0.096,643 -0.002,644 0.129,645 -0.119,646 0.024,647 0.023,648 -0.05,649 -0.02,650 -0.166,651 -0.158,652 -0.239,653 -0.04,654 -0.227,655 0.068,656 -0.169,657 -0.054,658 -0.224,659 0.064,660 -0.179,661 1.982,662 5.562,663 0.656,664 33.688,665 1.007,666 1.141,667 2.415,668 5.831,669 0.656,670 3.584,671 3.932,672 4.205,673 4.5,674 4.812,675 4.984,676 5.187,677 5.384,678 5.489,679 5.537,680 6.609,681 0.63,682 435.56,683 3.584,684 5.142,685 5.999,686 6.899,687 7.785,688 8.696,689 9.598,690 10.516,691 11.427,692 12.349,693 12.1,694 1,698 1,701 1,703 4,708 1,709 8,710 4,714 7,716 22,728 1,734 1,735 58,737 22,738 1,739 35,741 61,742 23,743 16,744 2,745 4,748 4,749 5,754 4,755 1,760 1,762 16,763 7,780 1,781 1,783 26,784 8,785 4,786 9,789 1,792 7,797 0.75,798 1,799 1,806 1,810 1,815 1,816 3,819 1,836 1,841 1,843 3,847 2,849 1,851 32,852 1,857 1,858 4,860 1,865 1,873 1,874 1.7,875 1,881 16.75,882 10.843,883 7.083,884 3.326,886 4.188,887 1.524,888 0.964,889 6.356,890 12.175,891 3.85,892 4.491,893 5.126,894 5.795,895 6.435,896 6.887,897 7.419,898 7.949,899 8.344,900 8.703,901 1,902 52,903 11.819,905 5.039,906 7.846,907 22.339,909 18.28,911 2.346,912 75.083,915 1,916 258.964,917 125.868,918 119.337,920 42.683,921 14.96,923 125.868,924 301.648,925 134.297,926 17.65,927 39.643,928 99.112,929 110.41,930 39.958,931 31.387,932 223.651,934 258.964,935 245.204,936 57.643,939 273.924,941 42.683,943 88.56,944 71.492,945 85.153,947 273.924,948 162.02,949 125.868,952 258.964,953 33.694,954 93.46,955 18.011,956 157.683,957 258.964,958 176.98,959 125.868,961 0.581,962 0.335,963 0.177,964 0.108,965 24,966 11,967 0.131,968 8,969 1,970 1.095,971 4.121,972 304.041,973 0.095,974 21,975 152,981 22.128,982 9.192,983 4.745,984 0.682,985 175.694,986 13.227,987 18.302,991 3.738,993 93.591,994 561.812,995 46,1007 58.389,1008 66.189,1009 0.276,1010 0.677,1011 0.855,1012 0.895,1013 0.895,1014 0.895,1015 5.097,1016 1.526,1017 6.019,1018 5.648,1019 4.615,1020 5.179,1021 0.278,1022 6.884,1023 4.52,1024 6.332,1025 1.322,1026 7.614,1027 4.039,1028 4.369,1029 5.075,1031 8.063,1032 4.254,1033 7.666,1034 1.15,1035 9.317,1036 3.552,1037 6.301,1038 7.453,1039 0.05,1040 11.1,1041 6.131,1042 9.039,1043 1.117,1044 11.085,1045 2.679,1046 6.868,1047 8.178,1049 13.074,1050 6.682,1051 10.444,1052 1,1053 12.893,1054 2.371,1055 8.305,1056 10.05,1057 0.008,1058 15.702,1059 8.073,1060 11.872,1061 0.726,1062 14.729,1063 2.275,1064 9.217,1065 11.182,1067 17.975,1068 8.965,1069 13.319,1070 0.65,1071 16.585,1072 1.627,1073 10.479,1074 12.849,1075 0.001,1076 20.489,1077 10.188,1078 3.353,1079 0.34,1080 18.456,1081 1.422,1082 11.543,1083 14.191,1085 22.881,1086 11.224,1087 3.179,1088 12.229,1089 20.338,1090 0.477,1091 12.745,1092 15.775,1094 25.364,1095 12.39,1096 2.76,1097 10.767,1098 22.23,1099 4.724,1100 13.875,1101 17.223,1103 27.806,1104 13.489,1105 2.656,1106 9.32,1107 24.129,1108 3.792,1109 15.06,1110 18.777,1112 30.285,1113 14.637,1114 2.372,1115 8.205,1116 26.034,1117 3.667,1118 16.22,1119 20.277,1121 32.751,1122 15.763,1123 2.139,1124 6.993,1125 27.944,1126 3.235,1127 17.403,1128 21.823,1130 35.233,1131 16.908,1132 1.869,1133 6.013,1134 29.859,1135 3.15,1136 18.579,1137 23.349,1139 37.711,1140 18.046,1141 12251,1142 20645,1143 23.057,1144 38.046,1145 52.626,1146 53.625,1147 54.687,1148 52.273,1149 52.318,1150 68.933,1151 0.8,1152 155.238,1153 49.686,1154 5.631,1155 5.372,1156 6.834,1157 5.377,1158 5.353,1159 7.724,1160 0.8,1161 19.756,1162 5.187,1163 17.283,1164 1.504,1165 1.532,1166 1.562,1167 1.494,1168 1.495,1169 1.97,1170 0.023,1171 4.435,1172 1.42,1173 4.163,1174 4.209,1175 4.145,1176 4.019,1177 8.201,1178 4.044,1179 3.857,1180 3.903,1181 3.807,1182 3.767,1183 6.456,1184 3.773,1185 3.843,1186 3.888,1187 3.778,1188 3.68,1189 5.13,1190 3.69,1191 3.722,1192 3.775,1193 3.614,1194 3.583,1195 5.001,1196 3.589,1197 3.512,1198 3.6,1199 3.374,1200 3.313,1201 4.932,1202 3.317,1203 3.255,1204 3.317,1205 3.177,1206 3.088,1207 4.639,1208 3.102,1209 3.117,1210 3.206,1211 2.97,1212 2.868,1213 4.359,1214 2.881,1215 2.981,1216 3.063,1217 2.782,1218 2.735,1219 4.26,1220 2.715,1221 0.136,1222 0.096,1223 0.202,1224 0.123,1225 0.096,1226 4.767,1227 0.135,1228 3.372,1229 0.011,1230 7.065,1231 0.349,1232 4.303,1233 0.091,1234 3.353,1235 4.724,1236 0.4,1237 12.229,1238 3.187,1239 1.929,1240 1.9,1241 2.014,1242 2.09,1243 1.286,1244 2.063,1245 1.877,1246 1.835,1247 1.995,1248 2.002,1249 1.168,1250 1.997,1251 1.793,1252 1.74,1253 1.97,1254 1.967,1255 1.102,1256 1.975,1257 1.701,1258 1.655,1259 1.827,1260 1.867,1261 0.916,1262 1.863,1263 1.456,1264 1.378,1265 1.689,1266 1.71,1267 0.732,1268 1.715,1269 1.247,1270 1.198,1271 1.417,1272 1.452,1273 0.547,1274 1.435,1275 1.068,1276 0.977,1277 1.415,1278 1.348,1279 0.469,1280 1.346,1281 0.934,1282 0.836,1283 1.334,1284 1.299,1285 0.425,1286 1.315,1287 4.263,1289 5.602,1290 2.398,1291 7.138,1292 4.844,1293 8.761,1294 7.081,1295 10.433,1297 3.903,1299 13.562,1301 5.77,1302 9.513,1303 1.577,1305 3.194,1310 -0.315,1314 36.516,1315 93.858,1316 230.095,1317 290.643,1318 304.253,1319 304.253,1320 304.253,1321 63.89,1322 7.987,1323 114.25,1324 114.25,1325 23,1326 12.859,1327 4.524,1328 3.585,1329 51.424,1330 119,1331 148,1332 0.203,1333 225.301,1334 378.88,1335 541.495,1336 31500,1337 1.7,1338 22.717,1339 0.71,1340 0.565,1341 21.847,1342 18.086,1343 15.414,1344 0.44,1345 0.298,1346 10.251,1347 14.762,1348 9.964,1349 8.309,1350 15.02,1351 10.418,1352 14.153,1353 0.283,1354 0.167,1355 13.532,1356 8.363,1357 11.681,1358 0.177,1359 0.078,1360 11.27,1361 5.165,1362 9.393,1363 0.106,1364 0.038,1365 9.241,1366 3.346,1367 8.237,1368 0.068,1369 0.019,1370 8.007,1371 2.361,1372 0.311,1373 97.128,1374 0.208,1375 29.376,1376 0.584,1377 170,1378 526.131,1379 188.203,1380 488.802,1381 669.42,1382 458,1383 201,1384 496.398,1385 220.198,1386 499.077,1387 735.07,1388 469,1389 5.1}
{0 CHEMBL1982465,1 1.587,2 15.944,3 4.383,4 19.21,5 146.991,6 7.9,7 0.55,8 4.245,9 4.362,10 3.899,11 3.842,12 5.359,13 3.806,14 4.76,15 4.922,16 4.244,17 4.232,18 5.846,19 4.169,20 4.967,21 5.153,22 4.286,23 4.368,24 6,25 4.272,26 5.028,27 5.251,28 4.284,29 4.357,30 6.05,31 4.234,32 4.966,33 5.19,34 4.136,35 4.239,36 6.045,37 4.123,38 4.789,39 4.993,40 4.075,41 4.131,42 5.897,43 4.042,44 4.753,45 4.937,46 4.054,47 4.149,48 5.804,49 4.052,50 4.836,51 5.049,52 4.07,53 4.198,54 5.812,55 4.065,56 0.04,57 0.933,58 12.423,59 5.594,60 10.92,61 6.921,62 0.334,63 1.508,64 24.661,65 9.784,66 31.341,67 12.103,68 0.321,69 1.805,70 30.691,71 12.108,72 36.931,73 15.307,74 0.177,75 1.892,76 36.6,77 14.072,78 40.099,79 18.61,80 0.324,81 1.744,82 37.041,83 13.116,84 59.593,85 16.22,86 0.268,87 1.528,88 30.054,89 10.482,90 45.491,91 13.065,92 0.198,93 1.469,94 24.432,95 9.606,96 36.421,97 12.377,98 0.237,99 1.596,100 32.516,101 12.34,102 32.486,103 15.338,104 10,105 55,106 0.25,107 0.634,108 0.779,109 0.834,110 0.846,111 0.851,112 3.615,113 0.948,114 -4.49,115 -4.42,116 -4.16,119 44.4,120 1,125 5,141 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 3,177 1,178 3,179 1,180 5,183 18,185 1,187 1,188 3,193 5,196 13,198 1,200 8,205 10,208 9,210 3,213 7,218 8,221 6,223 3,224 1,225 8,230 7,233 9,235 3,238 3,243 2,246 12,250 2,252 1,253 2,254 1,255 2,257 1,258 12,263 1,264 5,269 2,272 8,276 2762,277 24.654,278 24.654,279 24.654,280 24.654,281 24.654,282 21.569,283 28.21,284 14.738,285 25.268,286 19.792,287 19.792,288 19.792,289 19.792,290 19.792,291 15.172,292 34.917,293 7.05,294 20.747,295 4.39,296 1.958,297 1.04,298 0.691,299 0.615,300 0.583,301 4.324,306 1,307 1256,308 3.606,311 86.012,312 483.712,315 162.513,319 2.833,320 27.317,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 76.5,332 574,333 4.732,334 3.563,335 6.972,336 4.252,337 3.286,338 4.712,339 1.656,340 11.822,341 3.176,342 4.158,343 3.366,344 6.078,345 3.736,346 2.761,347 3.74,348 1.053,349 8.757,350 2.689,351 4.074,352 3.03,353 5.63,354 3.66,355 2.677,356 3.66,357 0.86,358 7.806,359 2.63,360 3.945,361 2.835,362 5.535,363 3.469,364 2.527,365 3.332,366 0.249,367 7.246,368 2.421,369 3.716,370 2.739,371 5.374,372 3.419,373 2.464,374 2.983,375 0.247,376 6.968,377 2.303,378 3.53,379 2.563,380 5.338,381 3.201,382 2.227,383 2.778,385 6.752,386 2.167,387 3.465,388 2.327,389 4.903,390 3.055,391 2.089,392 2.65,394 5.71,395 2.013,396 3.36,397 2.269,398 4.717,399 2.777,400 1.83,401 2.492,403 4.97,404 1.741,405 3.177,406 2.136,407 4.505,408 2.662,409 1.691,410 2.323,412 4.594,413 1.604,414 3.063,415 1.918,416 4.192,417 2.447,418 1.546,419 2.002,421 3.369,422 1.391,423 2.659,424 1.747,425 3.723,426 2.181,427 1.189,428 1.73,430 3.129,431 1.179,432 2.562,433 1.256,434 3.629,435 2.107,436 1.16,437 1.587,439 2.586,440 1.083,441 2.5,442 1.24,443 3.479,444 2,445 1.056,446 1.5,448 2.514,449 1,450 2.463,451 1.165,452 3.414,453 1.991,454 1,455 1.421,457 2.275,458 0.978,459 2.268,460 1,461 3.305,462 1.952,463 1,464 1.126,466 2.136,467 0.946,468 17.5,469 0.486,470 0.78,471 0.022,472 48.25,473 1.34,474 25,475 0.694,476 23.25,477 0.646,478 30.543,479 0.848,480 37.1,481 0.589,482 37.911,483 1.053,484 9.559,485 0.266,486 8.005,487 0.222,488 0.07,490 0.309,496 0.903,497 1.145,498 0.758,499 0.893,500 0.746,501 0.85,502 1.008,503 0.91,504 0.91,505 0.849,506 0.61,507 0.853,508 1.126,509 1.006,510 0.981,511 0.917,512 0.988,513 1.002,514 0.62,515 1.143,516 0.871,517 1.07,518 0.729,519 0.999,520 1.234,521 1.012,522 1.144,523 1.024,524 1.444,525 0.946,526 1.103,527 1.064,528 1.153,529 1.073,530 1.347,531 0.951,532 1.058,533 1.148,534 1.003,535 1.039,536 1.374,537 1.105,538 0.668,539 1.006,540 1.236,541 1.204,542 0.682,543 1.067,544 6.5,545 0.194,546 3.333,547 2.215,548 1.815,549 1.094,550 0.705,551 0.414,552 0.366,553 0.349,554 23149,555 59096,556 2.137,557 42.9,558 3,559 18,560 1,561 1,562 4,567 1.77,568 2.038,569 3.923,570 1.467,577 99.971,578 1.587,579 4.02,580 4.937,581 5.287,582 5.362,583 5.394,584 3.396,585 4.892,586 5.134,587 4.137,588 2606.51,589 9.004,590 44040.6,595 376.569,596 1.256,597 5.118,598 0.162,599 0.006,600 0.061,601 0.04,602 0.035,603 0.024,604 0.016,605 0.01,606 0.009,607 0.009,608 0.371,610 0.75,611 0.442,612 200.876,613 -0.077,614 -0.03,615 0.054,616 0.045,617 -0.086,618 0.048,619 0.054,620 0.164,621 0.019,622 0.12,623 0.094,624 0.07,625 -0.134,626 0.026,627 -0.071,628 0.036,629 -0.103,630 -0.058,631 0.083,632 -0.169,633 0.143,634 -0.04,635 0.128,636 0.018,637 -0.128,638 -0.017,639 -0.027,640 0.027,641 -0.066,642 0.047,643 -0.083,644 -0.014,645 -0.066,646 -0.036,647 -0.049,648 0.015,649 -0.155,650 -0.116,651 -0.118,652 -0.095,653 -0.248,654 -0.16,655 0.068,656 0.017,657 -0.075,658 -0.088,659 0.023,660 -0.051,661 1.955,662 5.384,663 0.75,664 54.176,665 0.999,666 1.117,667 3.262,668 10.641,669 0.698,670 3.714,671 4.025,672 4.29,673 4.575,674 4.779,675 4.836,676 4.963,677 5.147,678 5.236,679 5.361,680 9.184,681 0.659,682 497.67,683 3.714,684 5.252,685 6.098,686 6.973,687 7.835,688 8.717,689 9.589,690 10.477,691 11.357,692 12.25,693 7.9,696 1,697 1,700 2,703 1,708 2,709 10,710 1,713 1,714 7,716 22,727 1,735 63,737 24,738 2,739 40,741 67,742 28,743 19,744 4,745 8,748 5,749 6,753 1,754 1,761 2,762 20,763 6,767 1,772 1,776 1,783 27,784 7,785 4,786 8,787 1,792 5,797 0.8,798 2,809 1,815 1,816 4,819 1,823 2,839 1,842 1,843 4,845 1,847 1,851 36,852 1,858 5,860 2,861 1,864 1,866 1,869 1,872 2,874 3.2,877 1,878 1,881 17.667,882 11.567,883 7.889,884 3.646,886 5.065,887 1.595,888 1.023,889 7.595,890 13.584,891 4.007,892 4.608,893 5.21,894 5.858,895 6.406,896 6.78,897 7.242,898 7.736,899 8.077,900 8.476,901 0.909,902 55,903 13.279,905 5.614,906 7.653,907 25.572,909 20.959,911 2.153,912 77.5,916 270.735,917 210.351,918 88.829,920 36.145,922 31.278,923 179.073,924 306.88,925 88.829,926 8.825,927 51.523,928 116.356,929 64.701,930 33,931 53.182,932 278.471,934 270.735,935 267.902,936 36.145,937 31.278,939 270.735,940 25.145,941 11,943 72.52,944 144.535,945 50.847,946 31.278,947 270.735,948 124.973,949 210.351,952 270.735,953 74.958,954 104.456,955 70.083,956 85.828,957 270.735,958 124.973,959 210.351,961 0.577,962 0.332,963 0.185,964 0.099,965 26,966 11,967 0.06,968 4,969 1,970 1.074,971 4.843,972 336.595,973 0.074,974 27,975 176.117,977 1,981 24.423,982 11.195,983 5.942,984 1.947,985 124.973,986 19.217,987 4.417,990 1.617,991 5.907,993 68.919,994 606.059,995 54,1000 12.384,1004 -0.289,1007 62.96,1008 70.398,1009 0.265,1010 0.673,1011 0.826,1012 0.884,1013 0.897,1014 0.902,1015 5.244,1016 1.83,1017 6.066,1018 5.71,1019 4.71,1020 5.296,1021 2.243,1022 6.855,1023 4.624,1024 6.456,1025 1.691,1026 7.604,1027 4.97,1028 4.205,1029 5.037,1030 1.305,1031 7.714,1032 4.112,1033 7.763,1034 1.546,1035 9.243,1036 4.594,1037 6.275,1038 7.515,1039 2.653,1040 10.84,1041 6.123,1042 9.106,1043 1.189,1044 10.945,1045 3.369,1046 6.608,1047 8.139,1048 2.389,1049 12.613,1050 6.444,1051 10.482,1052 1.16,1053 12.691,1054 3.129,1055 8.124,1056 10.066,1057 3.344,1058 15.27,1059 7.914,1060 11.882,1061 1.056,1062 14.469,1063 2.586,1064 8.87,1065 11.145,1066 3.438,1067 17.448,1068 8.639,1069 13.304,1070 1,1071 16.274,1072 2.514,1073 10.158,1074 12.837,1075 4.195,1076 19.965,1077 9.889,1078 3.286,1079 1,1080 18.1,1081 2.275,1082 11.116,1083 14.155,1084 4.478,1085 22.316,1086 10.82,1087 2.761,1088 11.822,1089 19.944,1090 2.136,1091 12.314,1092 15.749,1093 5.126,1094 24.794,1095 11.984,1096 2.677,1097 8.757,1098 21.803,1099 4.712,1100 13.38,1101 17.185,1102 5.51,1103 27.216,1104 13.018,1105 2.527,1106 7.806,1107 23.675,1108 3.74,1109 14.55,1110 18.743,1111 6.096,1112 29.684,1113 14.155,1114 2.464,1115 7.246,1116 25.558,1117 3.66,1118 15.671,1119 20.237,1120 6.533,1121 32.133,1122 15.242,1123 2.227,1124 6.968,1125 27.45,1126 3.332,1127 16.836,1128 21.783,1129 7.085,1130 34.601,1131 16.374,1132 2.089,1133 6.752,1134 29.351,1135 2.983,1136 17.985,1137 23.305,1138 7.552,1139 37.062,1140 17.489,1141 21517,1142 34563,1143 27.334,1144 43.961,1145 60.31,1146 61.237,1147 60.632,1148 59.097,1149 59.217,1150 78.764,1151 8.131,1152 166.721,1153 56.521,1154 5.732,1155 5.563,1156 6.774,1157 5.359,1158 5.286,1159 7.712,1160 2.912,1161 19.202,1162 5.176,1163 14.403,1164 1.508,1165 1.531,1166 1.516,1167 1.477,1168 1.48,1169 1.969,1170 0.203,1171 4.168,1172 1.413,1173 4.119,1174 4.131,1175 4.34,1176 4.127,1177 7.431,1178 4.087,1179 3.935,1180 3.968,1181 3.885,1182 3.861,1183 5.194,1184 3.858,1185 3.851,1186 3.886,1187 3.806,1188 3.788,1189 4.822,1190 3.781,1191 3.795,1192 3.849,1193 3.698,1194 3.6,1195 4.763,1196 3.609,1197 3.471,1198 3.509,1199 3.495,1200 3.365,1201 4.733,1202 3.357,1203 3.39,1204 3.43,1205 3.382,1206 3.162,1207 4.616,1208 3.2,1209 3.254,1210 3.313,1211 3.293,1212 3.107,1213 4.446,1214 3.09,1215 3.144,1216 3.222,1217 2.988,1218 2.985,1219 4.225,1220 2.968,1221 0.118,1222 0.089,1223 0.174,1224 0.106,1225 0.082,1226 4.732,1227 0.118,1228 3.563,1229 0.041,1230 6.972,1231 0.296,1232 4.252,1233 0.079,1234 3.286,1235 4.712,1236 1.656,1237 11.822,1238 3.176,1239 1.964,1240 1.945,1241 2.044,1242 2.048,1243 1.227,1244 2.046,1245 1.913,1246 1.884,1247 2.027,1248 2.009,1249 1.174,1250 2.015,1251 1.844,1252 1.825,1253 1.952,1254 1.976,1255 1.131,1256 1.975,1257 1.718,1258 1.66,1259 1.862,1260 1.912,1261 1.007,1262 1.909,1263 1.445,1264 1.426,1265 1.568,1266 1.621,1267 0.825,1268 1.599,1269 1.313,1270 1.273,1271 1.551,1272 1.533,1273 0.695,1274 1.536,1275 1.254,1276 1.212,1277 1.513,1278 1.403,1279 0.632,1280 1.444,1281 1.153,1282 1.075,1283 1.416,1284 1.376,1285 0.609,1286 1.429,1287 4.394,1289 5.707,1290 2.398,1291 7.21,1292 4.727,1293 8.803,1294 6.88,1295 10.445,1297 1.985,1301 6.293,1303 4.043,1305 5.729,1306 5.398,1309 2.287,1313 6.565,1314 41.518,1315 99.971,1316 253.244,1317 311.059,1318 333.059,1319 337.814,1320 339.814,1321 55.151,1322 8.518,1323 92.51,1324 120.75,1325 29,1326 12.78,1327 4.644,1328 3.907,1329 54.777,1330 195,1331 198,1332 0.133,1333 257.428,1334 444.33,1335 619.884,1336 74726,1338 24.907,1339 0.692,1340 0.578,1341 25.261,1342 20.822,1343 17.564,1344 0.439,1345 0.316,1346 11.697,1347 16.559,1348 11.318,1349 9.371,1350 18.018,1351 12.644,1352 15.727,1353 0.286,1354 0.173,1355 16.252,1356 9.507,1357 13.003,1358 0.181,1359 0.097,1360 13.722,1361 6.997,1362 11.278,1363 0.117,1364 0.054,1365 12.22,1366 5.177,1367 8.919,1368 0.076,1369 0.029,1370 9.745,1371 3.399,1372 0.216,1373 113.672,1374 0.191,1375 33.81,1376 0.344,1377 190,1378 521.6,1379 226.534,1380 533.867,1381 735.39,1382 502,1383 222,1384 524.602,1385 257.136,1386 552.937,1387 806.59,1388 519,1389 6}
{0 CHEMBL1982466,1 1.605,2 14.515,3 4.2,4 17.636,5 134.53,6 8.265,7 0.73,8 4.123,9 4.243,10 3.82,11 3.742,12 5.292,13 3.708,14 4.595,15 4.748,16 4.192,17 4.142,18 5.745,19 4.086,20 4.786,21 4.954,22 4.221,23 4.26,24 5.882,25 4.177,26 4.89,27 5.088,28 4.285,29 4.276,30 5.977,31 4.169,32 4.875,33 5.086,34 4.188,35 4.185,36 5.986,37 4.082,38 4.703,39 4.895,40 4.01,41 4.053,42 5.83,43 3.973,44 4.69,45 4.912,46 3.875,47 4.007,48 5.737,49 3.902,50 4.66,51 4.883,52 3.754,53 3.936,54 5.703,55 3.818,56 0.068,57 0.859,58 9.939,59 4.596,60 10.449,61 5.544,62 0.246,63 1.349,64 18.97,65 7.991,66 23.465,67 9.853,68 0.185,69 1.579,70 22.73,71 9.588,72 28.344,73 11.678,74 0.155,75 1.724,76 30.163,77 11.836,78 31.948,79 14.846,80 0.364,81 1.7,82 35.846,83 11.985,84 50.555,85 13.99,86 0.232,87 1.43,88 23.974,89 8.844,90 38.875,91 10.588,92 0.253,93 1.405,94 25.766,95 9.29,96 33.426,97 11.905,98 0.24,99 1.302,100 23.231,101 9.112,102 37.348,103 11.729,104 17,105 53,106 0.259,107 0.626,108 0.77,109 0.823,110 0.84,111 0.846,112 3.532,113 0.913,114 -4.63,115 -4.55,116 -4.28,119 45.5,120 1,124 1,142 8,143 6,144 2,145 2,147 1,151 2,152 1,159 1,163 1,164 1,165 1,166 1,172 12,175 4,177 1,178 3,179 1,180 5,183 17,185 1,188 4,193 5,196 14,198 1,200 6,205 9,208 6,210 3,212 2,213 10,218 9,221 5,223 3,225 6,230 5,233 8,235 2,238 4,240 2,241 2,243 3,246 10,250 5,253 1,254 1,255 2,257 1,258 8,264 5,269 2,272 8,276 1976,277 22.325,278 22.325,279 22.325,280 22.325,281 22.325,282 18.956,283 20.473,284 12.97,285 22.744,286 18.269,287 18.269,288 18.269,289 18.269,290 18.269,291 13.232,292 24.801,293 6.197,294 18.952,295 4.177,296 1.901,297 1.009,298 0.682,299 0.573,300 0.537,301 4.238,306 1,307 1061,308 3.24,311 160.92,312 320.871,315 143.538,319 2.257,320 22.215,323 1,324 0.83,325 1,326 0.6,328 1,329 1,330 0.78,331 70,332 479,333 4.748,334 3.562,335 7.013,336 4.283,337 3.316,338 4.726,339 1.656,340 11.979,341 3.206,342 4.242,343 3.327,344 6.35,345 3.856,346 2.87,347 3.88,348 0.247,349 9.649,350 2.83,351 4.069,352 2.88,353 5.775,354 3.687,355 2.716,356 3.647,358 7.864,359 2.634,360 3.999,361 2.703,362 5.575,363 3.564,364 2.586,365 3.612,367 7.579,368 2.526,369 3.758,370 2.623,371 5.357,372 3.374,373 2.401,374 3.155,376 6.976,377 2.327,378 3.577,379 2.372,380 5.243,381 3.166,382 2.196,383 2.935,385 6.327,386 2.127,387 3.489,388 2.254,389 4.959,390 3.08,391 2.125,392 2.821,394 5.875,395 2.025,396 3.288,397 2.231,398 4.822,399 2.825,400 1.873,401 2.577,403 5.168,404 1.793,405 3.17,406 1.878,407 4.598,408 2.698,409 1.737,410 2.371,412 4.82,413 1.625,414 2.798,415 1.413,416 4.396,417 2.327,418 1.356,419 1.92,421 3.931,422 1.311,423 2.554,424 1.094,425 3.98,426 2.012,427 1.068,428 1.578,430 2.892,431 1,432 2.5,433 1,434 3.584,435 2,436 1,437 1.5,439 2.275,440 1,441 2.5,442 1,443 3.414,444 2,445 1,446 1.5,448 2.275,449 0.999,450 2.261,451 0.85,452 3.414,453 1.673,454 0.806,455 1.155,457 2.059,458 0.686,459 2.151,460 0.72,461 3.268,462 1.577,463 0.675,464 0.988,466 1.653,467 0.6,468 16.067,469 0.487,470 0.87,471 0.026,472 48.25,473 1.462,474 27,475 0.818,476 21.25,477 0.644,478 25.062,479 0.759,480 33.133,481 0.602,482 37.128,483 1.125,484 9.471,485 0.287,486 6.504,487 0.197,488 0.108,490 0.367,496 0.84,497 1.039,498 0.729,499 0.809,500 0.761,501 0.787,502 0.646,503 0.906,504 0.814,505 0.826,506 0.49,507 0.795,508 1.129,509 1.035,510 0.98,511 0.955,512 1.05,513 1.026,514 0.808,515 1.21,516 0.963,517 1.148,518 0.796,519 1.051,520 1.296,521 1.057,522 1.315,523 1.186,524 1.388,525 0.965,526 1.441,527 1.162,528 1.115,529 1.045,530 1.5,531 1.044,532 0.871,533 0.984,534 1.088,535 1.079,536 0.825,537 1.05,538 1.042,539 1.002,540 0.989,541 1.043,542 1.173,543 1.131,544 7,545 0.133,546 3.778,547 2.25,548 1.944,549 1.223,550 0.819,551 0.454,552 0.276,553 0.318,554 17493,555 46237,556 2.131,557 40,558 3,559 11,560 2,561 2,562 4,567 1.748,568 2,569 3.779,570 1.543,577 88.261,578 1.605,579 3.881,580 4.772,581 5.099,582 5.208,583 5.245,584 3.253,585 4.802,586 5.011,587 3.958,588 2089.98,589 8.754,590 32047.7,592 1,595 317.975,596 1.393,597 4.979,598 0.189,599 0.005,600 0.071,601 0.043,602 0.038,603 0.026,604 0.019,605 0.012,606 0.009,607 0.011,608 0.424,610 0.88,611 0.522,612 177.529,613 -0.039,614 0.062,615 0.049,616 0.087,617 -0.133,618 0.065,619 0.196,620 0.16,621 0.077,622 0.129,623 0.155,624 0.11,625 -0.204,626 -0.006,627 -0.107,628 -0.016,629 -0.168,630 -0.109,631 0.047,632 -0.229,633 0.097,634 -0.095,635 0.073,636 -0.054,637 -0.057,638 -0.041,639 -0.046,640 -0.045,641 -0.016,642 0.033,643 -0.242,644 -0.138,645 -0.158,646 -0.093,647 -0.188,648 -0.118,649 -0.011,650 0.009,651 -0.108,652 -0.099,653 -0.026,654 -0.065,655 -0.037,656 -0.069,657 -0.105,658 -0.112,659 -0.08,660 -0.142,661 1.956,662 5.322,663 0.788,664 40.406,665 1.002,666 1.117,667 3.4,668 11.561,669 0.713,670 3.638,671 3.989,672 4.277,673 4.585,674 4.804,675 4.913,676 5.081,677 5.247,678 5.347,679 5.421,680 8.19,681 0.677,682 454.6,683 3.638,684 5.198,685 6.061,686 6.956,687 7.837,688 8.737,689 9.628,690 10.532,691 11.431,692 12.338,693 10.9,697 1,700 2,701 1,703 2,708 2,709 12,710 2,713 1,714 8,715 1,716 27,727 1,735 55,737 28,738 2,739 37,741 59,742 25,743 22,744 4,745 8,748 5,749 6,753 1,754 1,762 23,763 2,767 1,772 1,776 1,783 22,784 6,785 4,786 8,787 1,792 6,797 0.8,798 1,807 1,809 1,815 2,816 3,819 1,843 4,845 1,847 2,851 33,852 1,860 2,869 1,874 1.8,877 1,881 16.5,882 10.517,883 7.083,884 3.032,886 4.988,887 1.596,888 1.047,889 5.77,890 13.362,891 3.961,892 4.63,893 5.263,894 5.925,895 6.461,896 6.849,897 7.349,898 7.85,899 8.225,900 8.613,901 0.9,902 52,903 12.13,905 5.189,906 7.687,907 23.163,909 19.126,911 2.187,912 72.167,916 211.88,917 190.464,918 104.144,920 25.145,922 31.278,923 159.187,924 237.025,925 104.144,926 17.222,927 36.022,928 125.404,929 82.136,930 43.886,931 30.892,932 196.073,934 211.88,935 263.331,936 25.145,937 31.278,939 211.88,940 25.145,943 64.718,944 165.164,945 33.449,946 31.278,947 211.88,948 129.289,949 190.464,952 211.88,953 62.642,954 129.599,955 36.022,956 91.491,957 211.88,958 129.289,959 190.464,961 0.589,962 0.341,963 0.189,964 0.104,965 27,966 12,967 0.068,968 4,969 1,970 1.077,971 4.48,972 310.495,973 0.077,974 26,975 156.465,977 1,981 21.468,982 8.87,983 4.437,984 2.004,985 127.512,986 23.038,987 8.709,990 1.634,991 7.104,992 1.771,993 68.919,994 531.633,995 51.5,1000 12.322,1004 -0.29,1007 55.083,1008 61.441,1009 0.278,1010 0.671,1011 0.825,1012 0.882,1013 0.901,1014 0.907,1015 5.197,1016 1.873,1017 6.057,1018 5.875,1019 4.673,1020 5.318,1021 1.758,1022 6.884,1023 4.603,1024 6.433,1025 1.737,1026 7.623,1027 5.168,1028 4.29,1029 5.165,1030 1.195,1031 7.813,1032 4.213,1033 7.755,1034 1.356,1035 9.287,1036 4.82,1037 6.282,1038 7.589,1039 2.415,1040 10.94,1041 6.157,1042 9.113,1043 1.068,1044 11.01,1045 3.931,1046 6.711,1047 8.281,1048 2.324,1049 12.752,1050 6.57,1051 10.502,1052 1,1053 12.773,1054 2.892,1055 8.177,1056 10.163,1057 3.244,1058 15.419,1059 8,1060 11.915,1061 1,1062 14.567,1063 2.275,1064 8.985,1065 11.274,1066 3.407,1067 17.614,1068 8.784,1069 13.346,1070 0.806,1071 16.385,1072 2.275,1073 10.25,1074 12.937,1075 4.156,1076 20.141,1077 10.017,1078 3.316,1079 0.675,1080 18.223,1081 2.059,1082 11.246,1083 14.265,1084 4.464,1085 22.5,1086 10.982,1087 2.87,1088 11.979,1089 20.078,1090 1.653,1091 12.438,1092 15.841,1093 5.111,1094 24.985,1095 12.143,1096 2.716,1097 9.649,1098 21.946,1099 4.726,1100 13.526,1101 17.279,1102 5.504,1103 27.412,1104 13.197,1105 2.586,1106 7.864,1107 23.826,1108 3.88,1109 14.697,1110 18.827,1111 6.091,1112 29.888,1113 14.336,1114 2.401,1115 7.579,1116 25.716,1117 3.647,1118 15.831,1119 20.32,1120 6.531,1121 32.344,1122 15.435,1123 2.196,1124 6.976,1125 27.614,1126 3.612,1127 17.001,1128 21.86,1129 7.083,1130 34.819,1131 16.571,1132 2.125,1133 6.327,1134 29.52,1135 3.155,1136 18.16,1137 23.381,1138 7.551,1139 37.288,1140 17.694,1141 16236,1142 26580,1143 24.967,1144 39.228,1145 56.513,1146 56.996,1147 57.769,1148 55.751,1149 55.839,1150 77.184,1151 3.806,1152 163.614,1153 53.75,1154 5.613,1155 5.562,1156 6.427,1157 5.396,1158 5.316,1159 7.726,1160 2.912,1161 19.547,1162 5.206,1163 15.795,1164 1.527,1165 1.54,1166 1.561,1167 1.507,1168 1.509,1169 2.086,1170 0.103,1171 4.422,1172 1.453,1173 4.139,1174 4.157,1175 4.346,1176 4.136,1177 7.431,1178 4.098,1179 3.938,1180 3.976,1181 3.884,1182 3.861,1183 5.191,1184 3.857,1185 3.9,1186 3.945,1187 3.859,1188 3.805,1189 4.948,1190 3.807,1191 3.791,1192 3.836,1193 3.791,1194 3.655,1195 4.784,1196 3.661,1197 3.451,1198 3.5,1199 3.438,1200 3.212,1201 4.742,1202 3.243,1203 3.278,1204 3.329,1205 3.387,1206 3.145,1207 4.565,1208 3.134,1209 3.133,1210 3.225,1211 3.05,1212 2.961,1213 4.244,1214 2.937,1215 3.11,1216 3.183,1217 2.946,1218 2.908,1219 4.041,1220 2.912,1221 0.128,1222 0.096,1223 0.19,1224 0.116,1225 0.09,1226 4.748,1227 0.128,1228 3.562,1229 0.045,1230 7.013,1231 0.324,1232 4.283,1233 0.087,1234 3.316,1235 4.726,1236 1.656,1237 11.979,1238 3.206,1239 1.966,1240 1.947,1241 2.044,1242 2.048,1243 1.19,1244 2.047,1245 1.913,1246 1.884,1247 2.028,1248 2.007,1249 1.13,1250 2.014,1251 1.846,1252 1.827,1253 1.894,1254 1.932,1255 1.059,1256 1.935,1257 1.509,1258 1.459,1259 1.722,1260 1.8,1261 0.777,1262 1.776,1263 1.43,1264 1.37,1265 1.569,1266 1.631,1267 0.67,1268 1.61,1269 1.315,1270 1.258,1271 1.523,1272 1.532,1273 0.618,1274 1.532,1275 1.242,1276 1.211,1277 1.364,1278 1.38,1279 0.48,1280 1.409,1281 1.076,1282 1.016,1283 1.243,1284 1.277,1285 0.234,1286 1.316,1287 4.317,1289 5.659,1290 3.045,1291 7.183,1292 5.352,1293 8.793,1294 7.424,1295 10.454,1297 3.896,1301 6.279,1305 5.7,1314 37.245,1315 88.261,1316 213.445,1317 262.465,1318 280.465,1319 286.465,1320 288.465,1321 46.855,1322 8.374,1323 97.86,1324 126.1,1325 28,1326 12.857,1327 4.858,1328 3.954,1329 48.172,1330 162,1331 181,1332 0.144,1333 231.449,1334 383.74,1335 556.495,1336 58076,1338 22.949,1339 0.695,1340 0.575,1341 23.303,1342 18.98,1343 15.974,1344 0.432,1345 0.304,1346 10.334,1347 15.041,1348 9.934,1349 8.296,1350 16.428,1351 11.255,1352 14.862,1353 0.28,1354 0.164,1355 15.387,1356 8.715,1357 12.429,1358 0.175,1359 0.09,1360 13.133,1361 6.417,1362 10.719,1363 0.111,1364 0.05,1365 11.688,1366 4.829,1367 8.636,1368 0.071,1369 0.027,1370 9.503,1371 3.267,1372 0.232,1373 103.675,1374 0.2,1375 31.145,1376 0.378,1377 180,1378 485.509,1379 215.043,1380 506.332,1381 706.3,1382 474,1383 214,1384 522.963,1385 247.977,1386 551.495,1387 802.22,1388 517,1389 7.5}
{0 CHEMBL1982476,1 1.803,2 13.226,3 3.418,4 11.679,5 124.051,6 9.224,7 0.647,8 4.011,9 4.119,10 3.785,11 3.643,12 5.241,13 3.615,14 4.467,15 4.597,16 4.171,17 4.035,18 5.729,19 3.98,20 4.69,21 4.844,22 4.25,23 4.15,24 5.905,25 4.083,26 4.751,27 4.912,28 4.331,29 4.131,30 6.044,31 4.064,32 4.735,33 4.911,34 4.105,35 4.068,36 5.962,37 3.975,38 4.648,39 4.844,40 3.984,41 3.94,42 5.924,43 3.854,44 4.527,45 4.724,46 3.764,47 3.837,48 5.669,49 3.747,50 4.494,51 4.714,52 3.747,53 3.771,54 5.635,55 3.663,56 0.108,57 0.741,58 6.984,59 3.904,60 11.66,61 4.232,62 0.315,63 1.141,64 14.147,65 6.949,66 26.082,67 7.951,68 0.339,69 1.354,70 21.066,71 8.855,72 42.643,73 9.722,74 0.476,75 1.461,76 25.662,77 9.643,78 53.28,79 10.451,80 0.412,81 1.405,82 29.187,83 10.506,84 52.254,85 10.962,86 0.555,87 1.291,88 27.115,89 9.225,90 74.296,91 9.944,92 0.318,93 1.119,94 18.24,95 7.352,96 41.876,97 8.862,98 0.318,99 1.058,100 20.346,101 8.055,102 40.308,103 9.897,104 28,105 48,106 0.299,107 0.647,108 0.785,109 0.859,110 0.876,111 0.882,112 3.472,113 0.93,114 -4.14,115 -4.09,116 -3.87,119 44.9,124 1,142 8,143 4,144 3,145 1,147 1,151 1,152 1,158 1,159 1,163 1,164 1,165 1,172 8,175 3,177 1,178 4,179 1,180 6,183 16,185 1,188 1,193 4,196 10,198 1,199 1,200 8,203 1,205 12,208 6,210 3,213 6,218 7,221 4,223 2,225 6,227 1,228 1,229 1,230 7,232 1,233 6,235 2,238 3,243 4,246 6,250 3,253 1,254 1,255 4,257 1,258 8,264 1,269 1,272 7,276 1614,277 20.886,278 20.886,279 20.886,280 20.886,281 20.886,282 18.008,283 20.844,284 12.15,285 21.419,286 16.703,287 16.703,288 16.703,289 16.703,290 16.703,291 12.271,292 25.929,293 5.677,294 17.531,295 3.812,296 1.721,297 0.888,298 0.439,299 0.342,300 0.301,301 4.165,302 1,305 1,306 1,307 883,308 3.674,311 72.208,312 304.035,315 136.985,319 2.104,320 32.275,323 1,324 0.83,325 1,326 0.4,328 1,329 1,330 0.75,331 66.833,332 410,333 4.742,334 3.601,335 7.006,336 4.276,337 3.308,338 4.717,339 1.656,340 11.944,341 3.202,342 4.165,343 3.563,344 6.286,345 3.795,346 2.804,347 3.753,348 1.058,349 9.345,350 2.78,351 4.074,352 3.21,353 5.721,354 3.677,355 2.716,356 3.66,357 0.247,358 7.834,359 2.597,360 3.918,361 2.965,362 5.611,363 3.514,364 2.545,365 3.38,367 7.501,368 2.459,369 3.675,370 2.663,371 5.385,372 3.289,373 2.322,374 2.993,376 6.992,377 2.231,378 3.466,379 2.362,380 4.974,381 3.03,382 2.092,383 2.778,385 5.71,386 1.951,387 3.325,388 2.288,389 4.9,390 2.807,391 1.908,392 2.612,394 5.35,395 1.693,396 3.151,397 2.142,398 4.544,399 2.679,400 1.727,401 2.342,403 4.666,404 1.566,405 2.932,406 1.704,407 4.404,408 2.45,409 1.471,410 2.055,412 3.974,413 1.428,414 2.658,415 1.278,416 3.969,417 2.164,418 1.182,419 1.729,421 2.885,422 1.139,423 2.556,424 1.116,425 3.573,426 2.018,427 1.07,428 1.579,430 2.586,431 1.004,432 2.5,433 1.089,434 3.479,435 2,436 1,437 1.5,439 2.275,440 1,441 2.234,442 1,443 3.414,444 1.632,445 0.8,446 1.116,448 2.028,449 0.648,450 1.491,451 0.861,452 2.96,453 1.229,454 0.277,455 0.316,457 0.406,458 0.26,459 1.322,460 0.628,461 2.786,462 1.018,463 0.072,464 0.084,466 0.194,467 0.067,468 15.214,469 0.491,470 0.801,471 0.026,472 44.5,473 1.435,474 24.5,475 0.79,476 20,477 0.645,478 23.326,479 0.752,480 31.586,481 0.645,482 34.862,483 1.125,484 8.854,485 0.286,486 6.102,487 0.197,488 0.15,490 0.362,496 0.798,497 1.039,498 0.633,499 0.727,500 0.665,501 0.717,502 0.526,503 0.896,504 0.738,505 0.832,506 0.511,507 0.826,508 1.089,509 1.054,510 0.936,511 0.915,512 1.004,513 0.943,514 0.997,515 1.208,516 0.928,517 1.155,518 1.122,519 1.026,520 1.222,521 1.208,522 1.246,523 1.274,524 1.212,525 1.135,526 0.98,527 0.99,528 1.074,529 1.119,530 1.004,531 1.036,532 0.975,533 1.084,534 0.851,535 0.991,536 0.981,537 1.147,538 0.799,539 0.927,540 0.775,541 0.928,542 0.857,543 1.013,544 6.5,545 0.136,546 3.556,547 2.403,548 1.899,549 1.257,550 0.706,551 0.383,552 0.263,553 0.269,554 13877,555 46311,556 2.065,557 36.7,559 11,560 1,561 1,562 5,567 1.732,568 1.918,569 3.662,570 2.413,572 1,577 88.345,578 1.803,579 3.894,580 4.727,581 5.176,582 5.273,583 5.314,584 3.112,585 4.607,586 4.924,587 3.863,588 1796.23,589 8.576,590 26329.2,592 1,595 275.121,596 1.462,597 4.877,598 0.191,599 0.006,600 0.074,601 0.048,602 0.039,603 0.03,604 0.019,605 0.012,606 0.009,607 0.011,608 0.439,609 0.17,610 1,611 0.904,612 163.298,613 -0.139,614 0.069,615 0.007,616 0.119,617 -0.126,618 0.091,619 0.195,620 0.171,621 0.034,622 0.093,623 0.104,624 0.051,625 -0.176,626 -0.044,627 -0.058,628 0.018,629 -0.113,630 -0.027,631 0.027,632 -0.183,633 0.036,634 -0.132,635 -0.03,636 -0.086,637 -0.194,638 -0.198,639 -0.208,640 -0.196,641 -0.11,642 -0.156,643 0.024,644 0.033,645 -0.113,646 -0.094,647 0.054,648 -0.057,649 -0.139,650 -0.128,651 -0.113,652 -0.135,653 -0.133,654 -0.183,655 0.039,656 -0.006,657 0.077,658 0.013,659 0.012,660 0.026,661 2.042,662 5.23,663 0.677,664 35.103,665 1.015,666 1.116,667 2.913,668 8.488,669 0.73,670 3.555,671 3.892,672 4.174,673 4.466,674 4.673,675 4.771,676 4.875,677 5.017,678 5.05,679 5.124,680 7.774,681 0.699,682 451.97,683 3.555,684 5.106,685 5.964,686 6.853,687 7.73,688 8.627,689 9.512,690 10.414,691 11.306,692 12.212,693 10.2,697 1,700 3,703 1,708 2,709 10,710 1,713 1,714 7,716 22,723 1,727 1,734 1,735 49,737 24,738 2,739 34,741 52,742 22,743 19,744 4,745 8,746 1,748 4,749 5,750 1,753 1,762 21,763 1,767 2,772 2,776 2,780 1,783 18,784 7,785 5,786 9,787 2,792 5,797 0.75,798 2,809 1,815 1,816 3,819 1,843 3,845 1,847 1,848 1,851 31,852 1,860 3,869 1,873 1,874 4.1,877 2,881 16.167,882 9.01,883 6.833,884 2.632,886 4.278,887 1.538,888 1.026,889 6.296,890 12.227,891 3.871,892 4.514,893 5.137,894 5.784,895 6.33,896 6.683,897 7.109,898 7.57,899 7.859,900 8.21,901 0.889,902 50,903 11.403,905 4.893,906 7.912,907 21.261,909 17.279,911 2.412,912 74.778,915 1,916 153.024,917 165.379,918 103.715,919 39.149,920 50.29,922 31.278,923 134.101,924 242.463,925 103.715,926 8.396,927 54.032,928 116.356,929 83.551,930 30.191,931 19.121,932 160.76,933 39.149,934 153.024,935 237.816,936 50.29,937 70.426,939 153.024,940 50.29,943 63.08,944 157.951,945 55.934,946 31.278,947 153.024,948 154.005,949 204.527,952 153.024,953 64.476,954 100.903,955 54.032,956 139.121,957 153.024,958 154.005,959 204.527,961 0.583,962 0.344,963 0.189,964 0.102,965 23,966 11,967 0.077,968 4,969 1,970 1.095,971 4.225,972 277.908,973 0.095,974 21,975 149.58,977 1,981 21.403,982 9.119,983 4.6,984 1.524,985 154.005,986 17.687,987 4.187,990 1.439,991 4.39,993 86.929,994 511.556,995 47,1000 24.372,1004 -0.587,1007 49.749,1008 54.681,1009 0.321,1010 0.693,1011 0.842,1012 0.922,1013 0.939,1014 0.946,1015 5.103,1016 1.727,1017 5.958,1018 5.35,1019 4.575,1020 5.201,1021 2.084,1022 6.788,1023 4.486,1024 6.334,1025 1.471,1026 7.529,1027 4.666,1028 4.205,1029 5.075,1030 1.195,1031 7.738,1032 4.087,1033 7.655,1034 1.182,1035 9.199,1036 3.974,1037 6.184,1038 7.465,1039 2.617,1040 10.863,1041 6.035,1042 9.014,1043 1.07,1044 10.928,1045 2.885,1046 6.621,1047 8.174,1048 2.324,1049 12.685,1050 6.45,1051 10.403,1052 1,1053 12.698,1054 2.586,1055 8.084,1056 10.047,1057 3.348,1058 15.354,1059 7.885,1060 11.817,1061 0.8,1062 14.498,1063 2.275,1064 8.901,1065 11.172,1066 3.407,1067 17.554,1068 8.676,1069 13.25,1070 0.277,1071 16.321,1072 2.028,1073 10.165,1074 12.837,1075 4.204,1076 20.081,1077 9.915,1078 3.308,1079 0.072,1080 18.164,1081 0.406,1082 11.167,1083 14.176,1084 4.464,1085 22.442,1086 10.887,1087 2.804,1088 11.944,1089 20.022,1090 0.194,1091 12.36,1092 15.758,1093 5.132,1094 24.928,1095 12.052,1096 2.716,1097 9.345,1098 21.894,1099 4.717,1100 13.452,1101 17.204,1102 5.504,1103 27.355,1104 13.112,1105 2.545,1106 7.834,1107 23.776,1108 3.753,1109 14.624,1110 18.757,1111 6.1,1112 29.831,1113 14.255,1114 2.322,1115 7.501,1116 25.668,1117 3.66,1118 15.761,1119 20.256,1120 6.531,1121 32.287,1122 15.358,1123 2.092,1124 6.992,1125 27.568,1126 3.38,1127 16.932,1128 21.8,1129 7.087,1130 34.761,1131 16.498,1132 1.908,1133 5.71,1134 29.474,1135 2.993,1136 18.092,1137 23.324,1138 7.551,1139 37.23,1140 17.624,1141 13264,1142 24365,1143 22.482,1144 35.773,1145 51.069,1146 52.891,1147 53.393,1148 50.656,1149 50.587,1150 69.231,1151 5.923,1152 147.378,1153 48.051,1154 5.608,1155 5.601,1156 6.563,1157 5.382,1158 5.308,1159 7.717,1160 2.912,1161 19.456,1162 5.202,1163 16.812,1164 1.502,1165 1.556,1166 1.57,1167 1.49,1168 1.488,1169 2.036,1170 0.174,1171 4.335,1172 1.413,1173 4.12,1174 4.13,1175 4.341,1176 4.123,1177 7.432,1178 4.083,1179 3.918,1180 3.948,1181 4,1182 3.846,1183 7.428,1184 3.841,1185 3.845,1186 3.874,1187 3.826,1188 3.782,1189 5.18,1190 3.775,1191 3.533,1192 3.589,1193 3.556,1194 3.345,1195 4.945,1196 3.355,1197 3.41,1198 3.462,1199 3.458,1200 3.13,1201 4.774,1202 3.177,1203 3.255,1204 3.307,1205 3.347,1206 3.089,1207 4.582,1208 3.077,1209 3.08,1210 3.168,1211 3.221,1212 2.889,1213 4.369,1214 2.867,1215 2.89,1216 2.945,1217 2.954,1218 2.799,1219 4.249,1220 2.775,1221 0.139,1222 0.106,1223 0.206,1224 0.126,1225 0.097,1226 4.742,1227 0.139,1228 3.601,1229 0.049,1230 7.006,1231 0.351,1232 4.276,1233 0.094,1234 3.308,1235 4.717,1236 1.656,1237 11.944,1238 3.202,1239 1.962,1240 1.943,1241 2.035,1242 2.048,1243 1.179,1244 2.044,1245 1.881,1246 1.857,1247 1.969,1248 1.983,1249 1.059,1250 1.982,1251 1.831,1252 1.813,1253 1.877,1254 1.931,1255 1.021,1256 1.932,1257 1.45,1258 1.423,1259 1.672,1260 1.7,1261 0.692,1262 1.69,1263 1.329,1264 1.261,1265 1.447,1266 1.581,1267 0.629,1268 1.552,1269 1.212,1270 1.175,1271 1.333,1272 1.383,1273 0.31,1274 1.415,1275 0.95,1276 0.881,1277 1.211,1278 1.256,1279 0.218,1280 1.26,1281 0.886,1282 0.84,1283 1.181,1284 1.062,1285 0.168,1286 1.107,1287 4.234,1289 5.565,1290 2.398,1291 7.088,1292 4.727,1293 8.702,1294 6.88,1295 10.366,1297 1.577,1298 5.936,1301 6.118,1305 8.135,1314 34.239,1315 88.345,1316 190.782,1317 231.611,1318 253.611,1319 258.366,1320 260.366,1321 57.463,1322 7.948,1323 109.14,1324 137.38,1325 23,1326 12.733,1327 4.644,1328 3.807,1329 49.764,1330 146,1331 136,1332 0.167,1333 218.527,1334 370.74,1335 524.967,1336 33904,1337 2,1338 21.957,1339 0.708,1340 0.58,1341 22.811,1342 17.973,1343 14.957,1344 0.44,1345 0.31,1346 9.273,1347 13.745,1348 8.936,1349 7.424,1350 15.7,1351 10.535,1352 13.582,1353 0.283,1354 0.166,1355 14.514,1356 7.973,1357 11.373,1358 0.178,1359 0.092,1360 12.339,1361 5.881,1362 9.712,1363 0.113,1364 0.052,1365 10.969,1366 4.454,1367 7.595,1368 0.072,1369 0.028,1370 8.629,1371 2.925,1372 0.268,1373 100.729,1374 0.211,1375 29.501,1376 0.441,1377 164,1378 502.491,1379 214.695,1380 544.959,1381 731.33,1382 506,1383 194,1384 498.761,1385 236.953,1386 533.375,1387 779.09,1388 501,1389 7.7}
{0 CHEMBL1982506,1 1.709,2 6.947,3 0.81,4 0.656,5 65.167,6 8.905,7 0.524,8 3.531,9 3.607,10 3.239,11 3.039,12 4.814,13 3.086,14 4.032,15 4.149,16 3.62,17 3.409,18 5.329,19 3.458,20 4.115,21 4.191,22 3.743,23 3.516,24 5.542,25 3.565,26 4.182,27 4.294,28 3.664,29 3.486,30 5.663,31 3.509,32 4.239,33 4.411,34 3.41,35 3.334,36 5.479,37 3.328,38 4.008,39 4.191,40 3.164,41 3.055,42 5.308,43 3.03,44 3.826,45 4.063,46 2.846,47 2.746,48 5.126,49 2.694,50 3.441,51 3.659,52 2.252,53 2.313,54 4.811,55 2.25,56 0.138,57 0.415,58 3.9,59 2.482,60 8.152,61 2.407,62 0.435,63 0.639,64 9.563,65 4.009,66 32.393,67 3.995,68 0.44,69 0.701,70 8.24,71 4.494,72 40.354,73 4.181,74 0.438,75 0.737,76 9.562,77 4.842,78 49.454,79 5.002,80 0.584,81 0.709,82 14.086,83 5.155,84 47.041,85 5.547,86 0.503,87 0.553,88 11.35,89 4.201,90 47.631,91 5.01,92 0.503,93 0.453,94 11.439,95 3.418,96 46.76,97 4.682,98 0.352,99 0.312,100 7.057,101 1.945,102 36.678,103 2.218,104 21,105 31,106 0.324,107 0.698,108 0.742,109 0.768,110 0.795,111 0.808,112 3.013,113 0.794,114 -1.69,115 -1.76,116 -1.78,119 44.8,124 2,142 2,143 3,144 2,145 1,146 1,158 2,172 4,175 5,178 2,180 1,183 4,187 2,188 8,191 1,193 1,196 2,199 2,200 7,205 2,212 1,213 4,218 1,224 2,225 1,228 1,237 2,241 1,249 1,276 362,277 12.895,278 12.895,279 12.895,280 12.895,281 12.895,282 11.451,283 12.785,284 7.241,285 13.295,286 10.209,287 10.209,288 10.209,289 10.209,290 10.209,291 7.702,292 12.791,293 3.221,294 10.628,295 3.149,296 1.182,297 0.949,298 0.811,299 0.673,300 0.604,301 3.686,305 1,306 1,307 281,308 2.449,311 31.43,312 66.888,315 52.876,316 57.174,319 1.014,320 27.526,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 43,332 132,333 4.717,334 3.818,335 6.987,336 4.311,337 3.319,338 4.624,339 1.2,340 11.874,341 3.29,342 4.238,343 3.285,344 6.254,345 3.843,346 2.881,347 3.793,348 0.86,349 9.397,350 2.775,351 3.773,352 3.214,353 5.859,354 3.358,355 2.389,356 3.202,357 0.86,358 7.923,359 2.296,360 3.489,361 2.725,362 5.336,363 3.072,364 2.064,365 2.8,366 0.8,367 6.248,368 2.069,369 3.14,370 2.225,371 4.761,372 2.698,373 1.732,374 2.319,376 5.005,377 1.666,378 2.883,379 1.945,380 4.511,381 2.408,382 1.442,383 1.949,385 4.181,386 1.379,387 2.576,388 1.594,389 3.977,390 2.135,391 1.204,392 1.571,394 2.953,395 1.104,396 1.819,397 1.018,398 3.163,399 1.447,400 0.538,401 0.67,403 1.083,404 0.485,405 1.52,406 0.866,407 2.829,408 1.229,409 0.376,410 0.412,412 0.516,413 0.317,414 1.143,415 0.763,416 2.534,417 0.667,418 -0.331,419 -0.438,421 -0.69,422 -0.316,423 1,424 0.176,425 2.455,426 0.583,427 -0.358,428 -0.479,430 -0.893,431 -0.337,432 0.971,433 0.013,434 2.391,435 0.487,436 -0.583,437 -0.854,439 -1.33,440 -0.618,441 0.584,442 -0.51,443 2.305,444 0.131,445 -0.861,446 -1.17,448 -2.389,449 -0.838,450 0.19,451 -0.851,452 1.745,453 -0.228,454 -1.165,455 -1.477,457 -3.191,458 -1.064,459 -0.096,460 -0.929,461 1.566,462 -0.471,463 -1.458,464 -1.971,466 -3.905,467 -1.455,468 8.633,469 0.454,470 0.521,471 0.027,472 27,473 1.421,474 14,475 0.737,476 13,477 0.684,478 11.383,479 0.599,480 20.167,481 0.695,482 19.271,483 1.014,484 5.656,485 0.298,486 3.495,487 0.184,488 0.193,490 0.463,496 0.781,497 1.27,498 0.617,499 1.086,500 0.571,501 0.858,502 1.033,503 0.781,504 0.681,505 0.6,506 0.664,507 0.539,508 0.934,509 1.058,510 0.792,511 1.025,512 1.029,513 0.909,514 0.836,515 1.291,516 0.93,517 1.286,518 0.641,519 1.179,520 1.206,521 1.003,522 1.168,523 1.059,524 0.944,525 1.094,526 0.846,527 1.085,528 1.052,529 1.2,530 0.99,531 1.212,532 0.608,533 0.856,534 0.88,535 0.904,536 0.717,537 0.962,538 1.213,539 0.91,540 1.576,541 1.016,542 1.508,543 1.287,544 4,546 2.667,547 2.042,548 1.489,549 0.754,550 0.465,551 0.259,552 0.056,554 2754,555 9985,556 2.05,557 34.5,559 8,561 1,562 1,567 1.61,568 1.869,569 2.805,570 -0.198,572 1,574 1,577 49.556,578 1.709,579 3.676,580 3.909,581 4.047,582 4.185,583 4.254,584 2.249,585 4.037,586 4.22,587 2.869,588 490.683,589 7.224,590 4601.82,592 1,595 140.881,596 1.529,597 4.153,598 0.19,600 0.086,601 0.06,602 0.05,603 0.034,604 0.029,605 0.024,606 0.011,608 0.484,609 0.67,610 1,611 1.039,612 79.543,613 -0.094,614 -0.175,615 0.038,616 -0.103,617 -0.068,618 -0.01,619 -0.106,620 0.254,621 0.161,622 0.375,623 -0.011,624 0.361,625 -0.005,626 -0.019,627 -0.049,628 -0.049,629 -0.087,630 -0.068,631 0.026,632 -0.283,633 -0.112,634 -0.316,635 0.182,636 -0.278,637 -0.187,638 -0.087,639 -0.134,640 -0.09,641 -0.093,642 -0.094,643 0.139,644 -0.191,645 0.017,646 -0.225,647 -0.002,648 -0.176,649 0.344,650 0.025,651 0.335,652 0.061,653 0.217,654 0.167,655 -0.128,656 0.053,657 -0.418,658 -0.128,659 -0.124,660 -0.289,661 2.142,662 4.8,663 0.684,664 11.324,665 1.036,666 1.121,667 0.459,668 0.211,669 0.685,670 3.091,671 3.466,672 3.829,673 4.159,674 4.407,675 4.522,676 4.682,677 4.779,678 4.771,679 4.554,680 4.186,681 0.69,682 258.25,683 3.091,684 4.654,685 5.549,686 6.469,687 7.385,688 8.31,689 9.232,690 10.159,691 11.083,692 12.011,693 6.9,700 1,703 1,708 2,709 3,710 1,714 4,716 11,733 2,735 29,737 13,738 1,739 21,741 31,742 13,743 9,744 4,745 2,746 2,748 3,749 6,762 11,763 2,767 2,772 2,776 2,780 1,783 10,784 6,785 1,786 6,792 2,794 1,797 0.333,798 4,809 1,815 1,816 2,819 1,820 1,843 1,847 2,851 19,860 1,861 2,874 13.8,877 2,879 2,881 10.167,882 6.117,883 4.25,884 1.533,886 2.626,887 1.383,888 0.988,889 2.644,890 9.483,891 3.384,892 4.052,893 4.745,894 5.421,895 6.061,896 6.48,897 6.942,898 7.322,899 7.647,900 7.589,901 0.8,902 34,903 7.004,905 3.074,906 8.123,907 12.767,909 10.343,911 2.623,912 49.833,916 105.94,917 80.75,918 34.796,920 72.29,923 80.75,924 178.23,925 34.796,926 21.766,927 18.011,928 18.952,929 88.256,930 52.622,932 94.169,934 105.94,935 115.547,936 72.29,939 105.94,940 72.29,943 29.815,944 68.946,945 16.786,947 105.94,948 107.086,949 80.75,952 105.94,953 30.984,954 49.766,955 18.011,956 89.075,957 105.94,958 107.086,959 80.75,961 0.588,962 0.377,963 0.217,964 0.118,965 17,966 8,967 0.065,968 2,969 2,970 1.308,971 2.979,972 150.321,973 0.308,974 13,975 80.711,981 11.932,982 4.21,983 1.661,984 1.326,985 107.086,986 4.929,987 4.021,991 1.463,993 18.011,994 293.776,995 28.5,1000 23.347,1004 -0.915,1007 30.047,1008 32.495,1009 0.352,1010 0.757,1011 0.805,1012 0.833,1013 0.862,1014 0.876,1015 4.642,1016 0.538,1017 5.572,1018 2.953,1019 4.143,1020 4.736,1021 2.094,1022 6.475,1023 4.083,1024 5.892,1025 0.376,1026 7.192,1027 1.083,1028 3.892,1029 4.783,1031 7.548,1032 3.849,1033 7.245,1034 -0.331,1035 8.91,1036 0.516,1037 5.826,1038 7.068,1039 2.099,1040 10.693,1041 5.731,1042 8.637,1043 -0.358,1044 10.684,1045 -0.69,1046 6.382,1047 7.913,1049 12.58,1050 6.296,1051 10.059,1052 -0.583,1053 12.492,1054 -0.893,1055 7.821,1056 9.722,1057 2.21,1058 15.261,1059 7.705,1060 11.505,1061 -0.861,1062 14.324,1063 -1.33,1064 8.735,1065 10.93,1067 17.488,1068 8.621,1069 12.968,1070 -1.165,1071 16.175,1072 -2.389,1073 9.997,1074 12.559,1075 2.41,1076 20.017,1077 9.865,1078 3.319,1079 -1.458,1080 18.04,1081 -3.191,1082 11.066,1083 13.936,1085 22.385,1086 10.932,1087 2.881,1088 11.874,1089 19.916,1090 -3.905,1091 12.269,1092 15.497,1093 2.673,1094 24.868,1095 12.124,1096 2.389,1097 9.397,1098 21.801,1099 4.624,1100 13.403,1101 16.953,1103 27.294,1104 13.255,1105 2.064,1106 7.923,1107 23.694,1108 3.793,1109 14.589,1110 18.489,1111 2.977,1112 29.764,1113 14.434,1114 1.732,1115 6.248,1116 25.594,1117 3.202,1118 15.753,1119 19.982,1121 32.215,1122 15.592,1123 1.442,1124 5.005,1125 27.5,1126 2.8,1127 16.936,1128 21.509,1129 3.305,1130 34.683,1131 16.77,1132 1.204,1133 4.181,1134 29.41,1135 2.319,1136 18.113,1137 23.02,1139 37.146,1140 17.942,1141 2789,1142 5398,1143 13.641,1144 19.875,1145 31.882,1146 34.296,1147 34.461,1148 31.687,1149 31.889,1150 42.682,1151 7.44,1152 98.36,1153 30.763,1154 5.543,1155 5.818,1156 6.529,1157 5.356,1158 5.319,1159 7.624,1160 2.4,1161 19.309,1162 5.29,1163 10.267,1164 1.518,1165 1.633,1166 1.641,1167 1.509,1168 1.519,1169 2.032,1170 0.354,1171 4.684,1172 1.465,1173 4.12,1174 4.134,1175 4.1,1176 4.043,1177 7.45,1178 4.054,1179 3.697,1180 3.71,1181 3.668,1182 3.515,1183 7.408,1184 3.551,1185 3.333,1186 3.377,1187 3.248,1188 3.098,1189 5,1190 3.126,1191 3.246,1192 3.312,1193 3.065,1194 2.953,1195 4.69,1196 2.966,1197 3.071,1198 3.137,1199 2.971,1200 2.843,1201 4.496,1202 2.848,1203 2.869,1204 2.899,1205 2.743,1206 2.661,1207 4.053,1208 2.661,1209 2.795,1210 2.809,1211 2.668,1212 2.547,1213 3.899,1214 2.594,1215 2.348,1216 2.379,1217 2.272,1218 2.094,1219 3.542,1220 2.143,1221 0.225,1222 0.182,1223 0.333,1224 0.205,1225 0.158,1226 4.717,1227 0.22,1228 3.818,1229 0.057,1230 6.987,1231 0.565,1232 4.311,1233 0.157,1234 3.319,1235 4.624,1236 1.2,1237 11.874,1238 3.29,1239 2.036,1240 2.024,1241 2.082,1242 2.114,1243 1.253,1244 2.104,1245 1.458,1246 1.444,1247 1.624,1248 1.686,1249 0.639,1250 1.655,1251 1.297,1252 1.27,1253 1.576,1254 1.626,1255 0.575,1256 1.561,1257 1.198,1258 1.133,1259 1.409,1260 1.525,1261 0.478,1262 1.539,1263 1.121,1264 1.06,1265 1.342,1266 1.353,1267 0.32,1268 1.362,1269 0.982,1270 0.911,1271 1.199,1272 1.174,1273 0.193,1274 1.184,1275 0.632,1276 0.596,1277 0.866,1278 0.871,1280 0.865,1281 0.317,1282 0.258,1283 0.482,1284 0.555,1286 0.537,1287 3.761,1289 5.118,1290 2.398,1291 6.691,1292 4.844,1293 8.365,1294 7.018,1295 10.095,1297 3.039,1305 2.228,1306 10.396,1314 20.009,1315 49.556,1316 106.617,1317 113.372,1318 117.372,1319 121.372,1320 123.372,1321 33.067,1322 6.858,1323 81.28,1324 81.28,1325 17,1326 12.515,1327 3.807,1328 3.087,1329 27.586,1330 48,1331 47,1332 0.305,1333 122.372,1334 213.26,1335 290.349,1336 7033,1338 13.569,1339 0.714,1340 0.543,1341 13.569,1342 10.312,1343 9.151,1344 0.436,1345 0.265,1346 5.414,1347 8.587,1348 5.258,1349 4.364,1350 9.151,1351 5.558,1352 8.241,1353 0.266,1354 0.131,1355 8.241,1356 4.059,1357 7.492,1358 0.166,1359 0.068,1360 7.492,1361 3.064,1362 6.637,1363 0.105,1364 0.034,1365 6.637,1366 2.171,1367 5.363,1368 0.066,1369 0.018,1370 5.363,1371 1.45,1372 0.447,1373 59.156,1374 0.271,1375 18.22,1376 0.938,1377 104,1378 394.92,1379 117.96,1380 366.289,1381 491.8,1382 342,1383 128,1384 352.082,1385 142.323,1386 355.803,1387 525.63,1388 331,1389 5.9}
{0 CHEMBL1982563,1 1.599,2 11.484,3 3.989,4 15.915,5 118.055,6 7.51,7 0.647,8 4.125,9 4.253,10 3.702,11 3.63,12 5.255,13 3.623,14 4.657,15 4.847,16 4.074,17 4.01,18 5.743,19 3.993,20 4.855,21 5.045,22 4.147,23 4.165,24 5.95,25 4.117,26 5.072,27 5.344,28 4.106,29 4.186,30 6.021,31 4.12,32 4.882,33 5.09,34 4.123,35 4.2,36 5.893,37 4.133,38 5.006,39 5.258,40 4.172,41 4.216,42 6.073,43 4.153,44 4.907,45 5.118,46 4.065,47 4.181,48 5.968,49 4.1,50 4.932,51 5.192,52 3.883,53 4.035,54 5.956,55 3.928,56 0.034,57 0.932,58 11.212,59 4.771,60 8.554,61 6.37,62 0.33,63 1.458,64 22.08,65 7.796,66 32.971,67 10.59,68 0.284,69 1.779,70 26.399,71 9.595,72 38.51,73 13.159,74 0.736,75 1.847,76 38.599,77 10.667,78 67.314,79 15.929,80 0.251,81 1.736,82 27.391,83 9.992,84 25.625,85 14.422,86 0.647,87 1.882,88 33.91,89 10.1,90 61.617,91 15.334,92 0.284,93 1.799,94 28.45,95 10.314,96 33.199,97 14.715,98 0.451,99 1.704,100 32.015,101 10.251,102 55.497,103 15,104 31,105 49,106 0.261,107 0.616,108 0.806,109 0.834,110 0.834,111 0.834,112 3.472,113 0.886,114 -4.39,115 -4.32,116 -4.08,119 41.1,120 3,123 1,124 1,125 2,142 5,143 1,144 1,145 2,146 3,150 1,151 1,152 1,161 1,172 6,174 2,175 5,178 2,180 1,183 5,187 3,188 8,193 2,196 2,199 1,200 8,203 1,205 1,208 1,212 1,213 9,216 1,221 3,224 4,225 7,228 1,230 1,233 6,238 5,243 2,246 4,249 1,250 7,253 1,255 3,258 1,263 1,264 2,272 4,276 1767,277 20.731,278 20.731,279 20.731,280 20.731,281 20.731,282 18.155,283 15.194,284 12.107,285 21.358,286 16.747,287 16.747,288 16.747,289 16.747,290 16.747,291 12.886,292 18.663,293 5.644,294 17.726,295 4.208,296 2.029,297 0.868,298 0.697,299 0.697,300 0.697,301 4.165,305 1,306 1,307 761,308 3.808,311 64.443,312 260.151,315 125.443,319 1.63,320 29.196,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 67.5,332 356,333 4.763,334 3.363,335 7.059,336 4.298,337 3.348,338 4.72,339 0.86,340 12.197,341 3.183,342 4.2,343 3.249,344 6.704,345 4.176,346 3.187,347 3.783,348 0.4,349 10.869,350 3.153,351 4.131,352 2.919,353 6.206,354 3.688,355 2.728,356 3.667,358 9.054,359 2.622,360 4.045,361 2.786,362 5.873,363 3.608,364 2.656,365 3.225,367 8.184,368 2.523,369 3.728,370 2.611,371 5.378,372 3.282,373 2.349,374 3.15,376 6.881,377 2.179,378 3.483,379 2.314,380 5.036,381 3.068,382 2.132,383 2.825,385 6.01,386 1.98,387 3.182,388 1.939,389 4.938,390 2.728,391 1.789,392 2.435,394 5.313,395 1.676,396 3.016,397 1.866,398 4.418,399 2.467,400 1.526,401 2.266,403 4.029,404 1.431,405 2.734,406 1.558,407 4.167,408 2.23,409 1.288,410 1.838,412 3.399,413 1.21,414 2.605,415 1.338,416 3.727,417 2.068,418 1.148,419 1.655,421 2.666,422 1.056,423 2.5,424 1.177,425 3.576,426 2,427 1.122,428 1.5,430 2.275,431 1,432 2.186,433 1,434 3.457,435 1.977,436 1,437 1.159,439 2.072,440 0.948,441 2.159,442 0.856,443 3.414,444 1.673,445 0.741,446 1.048,448 1.96,449 0.689,450 1.728,451 0.804,452 3.049,453 1.525,454 0.607,455 0.666,457 1.337,458 0.556,459 1.254,460 0.357,461 2.781,462 0.861,463 -0.069,464 -0.087,466 -0.162,467 -0.063,468 14.519,469 0.468,470 0.882,471 0.028,472 41.5,473 1.339,474 20.5,475 0.661,476 21,477 0.677,478 27.384,479 0.883,480 33.481,481 0.598,482 32.828,483 1.059,484 8.142,485 0.263,486 6.735,487 0.217,488 0.157,489 0.034,490 0.303,494 1,496 0.747,497 1.351,498 0.755,499 1.186,500 0.627,501 1.009,502 0.967,503 0.958,504 0.76,505 0.813,506 0.654,507 0.765,508 0.944,509 1.273,510 1.04,511 1.243,512 0.919,513 1.173,514 1.168,515 0.694,516 0.892,517 0.563,518 0.82,519 0.644,520 0.612,521 1.094,522 0.926,523 1.134,524 0.461,525 1.093,526 0.709,527 0.721,528 0.857,529 0.723,530 0.572,531 0.78,532 0.746,533 1.195,534 1.062,535 1.27,536 0.762,537 1.229,538 0.858,539 1.049,540 1.039,541 1.114,542 0.839,543 1.107,544 7,545 0.247,546 3.778,547 2.354,548 2.078,549 1.146,550 0.74,551 0.663,552 0.475,553 0.376,554 11821,555 32135,556 2.057,557 44.6,558 6,559 12,560 1,561 2,562 1,563 3,567 1.743,568 1.908,569 3.413,570 -0.329,572 1,577 89.564,578 1.599,579 3.779,580 4.939,581 5.111,582 5.111,583 5.111,584 2.862,585 4.607,586 4.92,587 3.598,588 1672.92,589 8.632,590 23280.7,592 1,594 1,595 325.212,596 1.595,597 4.87,598 0.206,599 0.01,600 0.077,601 0.047,602 0.042,603 0.023,604 0.014,605 0.015,606 0.014,607 0.012,608 0.46,609 0.17,610 1,611 1.383,612 159.209,613 -0.03,614 -0.252,615 0.062,616 -0.124,617 -0.051,618 -0.033,619 -0.007,620 0.053,621 0.16,622 0.177,623 0.064,624 0.187,625 -0.044,626 -0.189,627 -0.134,628 -0.243,629 -0.035,630 -0.215,631 -0.136,632 0.18,633 0.131,634 0.351,635 -0.055,636 0.305,637 -0.004,638 -0.158,639 -0.043,640 -0.137,641 -0.003,642 -0.108,643 0.077,644 0.205,645 0.103,646 0.2,647 0.08,648 0.168,649 -0.011,650 -0.201,651 -0.157,652 -0.266,653 -0.042,654 -0.245,655 0.029,656 -0.111,657 -0.054,658 -0.157,659 0.044,660 -0.129,661 1.959,662 5.51,663 0.677,664 31.742,665 1.005,666 1.137,667 3.163,668 10.005,669 0.661,670 3.555,671 3.912,672 4.174,673 4.477,674 4.762,675 4.92,676 5.1,677 5.283,678 5.384,679 5.407,680 6.624,681 0.634,682 420.54,683 3.555,684 5.118,685 5.974,686 6.876,687 7.759,688 8.671,689 9.569,690 10.487,691 11.393,692 12.315,693 10.7,698 1,701 1,703 4,708 1,709 8,710 4,714 7,716 22,728 1,734 1,735 56,737 22,738 1,739 34,741 59,742 23,743 16,744 2,745 4,748 4,749 5,754 3,755 1,762 16,763 7,780 1,781 1,783 25,784 7,785 1,786 8,789 1,792 6,797 0.75,798 1,806 1,810 1,815 1,816 3,819 1,842 1,843 3,847 4,849 1,851 31,858 2,860 1,861 1,865 1,873 1,874 1.8,878 1,881 16.25,882 11.476,883 6.75,884 3.184,886 4.268,887 1.539,888 0.971,889 5.883,890 12.184,891 3.829,892 4.48,893 5.108,894 5.775,895 6.404,896 6.846,897 7.362,898 7.889,899 8.275,900 8.614,901 0.875,902 50,903 11.43,905 4.812,906 7.745,907 21.747,909 17.602,911 2.245,912 69.583,914 1,915 1,916 282.506,917 145.528,918 86.439,920 11,921 14.96,923 145.528,924 293.506,925 101.399,926 37.359,927 6.698,928 56.429,929 121.41,930 39.958,931 31.387,932 247.193,934 282.506,935 231.968,936 25.96,939 297.467,941 11,943 64.44,944 82.375,945 85.153,947 297.467,948 97.439,949 145.528,952 282.506,953 33.646,954 113.169,955 18.011,956 93.102,957 282.506,958 112.399,959 145.528,961 0.586,962 0.333,963 0.181,964 0.103,965 24,966 11,967 0.119,968 7,969 1,970 1.095,971 4.073,972 289.809,973 0.095,974 21,975 145.58,981 21.203,982 8.602,983 4.52,984 0.728,985 111.113,986 13.448,987 18.276,991 4.042,993 18.011,994 540.434,995 45,1007 56.287,1008 63.691,1009 0.275,1010 0.651,1011 0.85,1012 0.88,1013 0.88,1014 0.88,1015 5.078,1016 1.526,1017 5.999,1018 5.313,1019 4.595,1020 5.168,1021 1.029,1022 6.866,1023 4.492,1024 6.319,1025 1.288,1026 7.595,1027 4.029,1028 4.369,1029 5.075,1031 8.04,1032 4.254,1033 7.655,1034 1.148,1035 9.299,1036 3.399,1037 6.282,1038 7.445,1039 0.763,1040 11.082,1041 6.105,1042 9.029,1043 1.122,1044 11.067,1045 2.666,1046 6.858,1047 8.171,1049 13.055,1050 6.67,1051 10.434,1052 1,1053 12.876,1054 2.275,1055 8.289,1056 10.043,1057 0.597,1058 15.687,1059 8.052,1060 11.862,1061 0.741,1062 14.712,1063 2.072,1064 9.206,1065 11.174,1067 17.961,1068 8.951,1069 13.308,1070 0.607,1071 16.568,1072 1.96,1073 10.467,1074 12.841,1075 0.47,1076 20.476,1077 10.171,1078 3.348,1079 -0.069,1080 18.439,1081 1.337,1082 11.532,1083 14.182,1085 22.869,1086 11.211,1087 3.187,1088 12.197,1089 20.322,1090 -0.162,1091 12.735,1092 15.766,1093 0.367,1094 25.352,1095 12.377,1096 2.728,1097 10.869,1098 22.214,1099 4.72,1100 13.866,1101 17.213,1103 27.794,1104 13.477,1105 2.656,1106 9.054,1107 24.113,1108 3.783,1109 15.051,1110 18.767,1111 0.283,1112 30.272,1113 14.626,1114 2.349,1115 8.184,1116 26.019,1117 3.667,1118 16.212,1119 20.266,1121 32.736,1122 15.753,1123 2.132,1124 6.881,1125 27.93,1126 3.225,1127 17.395,1128 21.812,1129 0.217,1130 35.216,1131 16.899,1132 1.789,1133 6.01,1134 29.845,1135 3.15,1136 18.571,1137 23.336,1139 37.692,1140 18.038,1141 11521,1142 19179,1143 22.364,1144 37.04,1145 51.858,1146 52.116,1147 53.298,1148 51.224,1149 51.243,1150 67.872,1151 2.52,1152 152.489,1153 48.413,1154 5.646,1155 5.363,1156 6.777,1157 5.372,1158 5.348,1159 7.72,1160 1.72,1161 19.689,1162 5.183,1163 16.753,1164 1.525,1165 1.533,1166 1.568,1167 1.507,1168 1.507,1169 1.996,1170 0.074,1171 4.485,1172 1.424,1173 4.16,1174 4.206,1175 4.142,1176 4.015,1177 8.201,1178 4.04,1179 3.855,1180 3.905,1181 3.806,1182 3.763,1183 5.126,1184 3.77,1185 3.845,1186 3.886,1187 3.777,1188 3.682,1189 4.942,1190 3.691,1191 3.723,1192 3.775,1193 3.622,1194 3.576,1195 4.647,1196 3.586,1197 3.332,1198 3.398,1199 3.264,1200 3.155,1201 4.643,1202 3.173,1203 3.278,1204 3.349,1205 3.086,1206 3.004,1207 4.363,1208 2.994,1209 3.158,1210 3.233,1211 3.003,1212 2.978,1213 4.213,1214 2.988,1215 3.087,1216 3.188,1217 2.903,1218 2.846,1219 3.984,1220 2.849,1221 0.14,1222 0.099,1223 0.208,1224 0.126,1225 0.098,1226 4.763,1227 0.139,1228 3.363,1229 0.025,1230 7.059,1231 0.359,1232 4.298,1233 0.094,1234 3.348,1235 4.72,1236 0.86,1237 12.197,1238 3.183,1239 1.928,1240 1.899,1241 2.014,1242 2.085,1243 1.296,1244 2.058,1245 1.868,1246 1.826,1247 1.996,1248 1.998,1249 1.121,1250 1.991,1251 1.793,1252 1.74,1253 1.953,1254 1.97,1255 1.032,1256 1.978,1257 1.695,1258 1.649,1259 1.809,1260 1.866,1261 0.831,1262 1.857,1263 1.322,1264 1.27,1265 1.6,1266 1.564,1267 0.623,1268 1.574,1269 1.223,1270 1.146,1271 1.548,1272 1.51,1273 0.599,1274 1.522,1275 1.114,1276 1.037,1277 1.417,1278 1.365,1279 0.532,1280 1.391,1281 1.055,1282 0.961,1283 1.409,1284 1.303,1285 0.469,1286 1.308,1287 4.234,1289 5.58,1290 2.398,1291 7.117,1292 4.844,1293 8.741,1294 7.081,1295 10.412,1297 7.823,1299 13.51,1303 1.277,1305 3.304,1306 5.285,1310 -0.07,1314 35.494,1315 89.564,1316 211.602,1317 276.583,1318 286.192,1319 286.192,1320 286.192,1321 53.699,1322 7.916,1323 77.23,1324 77.23,1325 23,1326 12.826,1327 4.524,1328 3.585,1329 49.139,1330 117,1331 153,1332 0.199,1333 218.507,1334 367.88,1335 524.917,1336 29785,1337 1.8,1338 22.01,1339 0.71,1340 0.582,1341 21.14,1342 18.055,1343 14.876,1344 0.438,1345 0.295,1346 9.858,1347 14.188,1348 9.465,1349 7.954,1350 14.482,1351 10.037,1352 13.978,1353 0.285,1354 0.168,1355 13.356,1356 8.238,1357 11.201,1358 0.175,1359 0.078,1360 10.79,1361 4.995,1362 9.46,1363 0.109,1364 0.04,1365 9.309,1366 3.492,1367 7.826,1368 0.067,1369 0.019,1370 7.597,1371 2.235,1372 0.307,1373 94.046,1374 0.211,1375 28.722,1376 0.564,1377 166,1378 524.405,1379 184.284,1380 483.729,1381 662.92,1382 454,1383 196,1384 491.187,1385 215.528,1386 497.078,1387 727.56,1388 463,1389 5.1}
{0 CHEMBL1982610,1 1.947,2 6.611,3 2.692,4 7.248,5 76.921,6 14.863,7 0.55,8 3.383,9 3.47,10 3.544,11 3.119,12 4.615,13 3.067,14 3.845,15 3.951,16 4.044,17 3.547,18 5.142,19 3.456,20 4.04,21 4.175,22 4.28,23 3.606,24 5.32,25 3.496,26 3.931,27 4.082,28 4.125,29 3.54,30 5.256,31 3.357,32 3.677,33 3.844,34 3.88,35 3.233,36 4.899,37 3.081,38 3.482,39 3.613,40 3.759,41 3.159,42 4.761,43 2.995,44 3.452,45 3.593,46 3.691,47 3.121,48 4.741,49 2.864,50 3.204,51 3.366,52 4.066,53 2.849,54 4.723,55 2.518,56 0.073,57 0.364,58 5.054,59 1.428,60 3.97,61 1.469,62 0.212,63 0.604,64 9.669,65 2.639,66 6.7,67 2.633,68 0.23,69 0.709,70 27.044,71 5.89,72 20.184,73 4.262,74 0.292,75 0.639,76 28.755,77 5.342,78 30.597,79 4.017,80 0.191,81 0.477,82 25.296,83 4.933,84 14.906,85 3.548,86 0.149,87 0.369,88 12.719,89 2.641,90 8.369,91 2.549,92 0.156,93 0.374,94 31.331,95 4.645,96 16.457,97 2.938,98 0.21,99 0.253,100 37.184,101 4.286,102 22.891,103 2.91,104 10,105 29,106 0.381,107 0.725,108 0.846,109 0.909,110 0.909,111 0.909,112 2.962,113 0.994,114 -4.58,115 -4.5,116 -4.24,119 48,137 1,138 1,142 4,143 1,144 1,146 1,151 1,159 1,161 1,172 4,174 2,175 1,178 2,183 6,188 5,193 1,196 4,199 1,200 3,203 1,208 1,213 5,218 1,221 1,225 4,230 2,233 2,238 1,243 1,246 1,250 2,255 2,258 2,276 320,277 12.016,278 12.016,279 12.016,280 12.016,281 12.016,282 10.343,283 10.269,284 6.924,285 12.529,286 9.86,287 9.86,288 9.86,289 9.86,290 9.86,291 7.298,292 10.828,293 3.296,294 10.85,295 2.697,296 0.94,297 0.32,301 3.636,302 1,305 1,306 1,307 256,308 1.871,311 31.082,312 92.852,315 62.384,319 1.099,320 16.3,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 38.233,332 119,333 4.563,334 3.705,335 6.708,336 4.125,337 3.199,338 4.257,339 1.629,340 10.872,341 2.965,342 4.127,343 3.061,344 6.089,345 3.716,346 2.758,347 3.7,348 0.142,349 8.857,350 2.62,351 3.62,352 2.941,353 5.491,354 3.138,355 2.223,356 2.983,358 6.724,359 2.001,360 3.575,361 2.62,362 5.048,363 3.079,364 2.199,365 2.807,367 6.069,368 1.819,369 3.133,370 2.052,371 4.575,372 2.613,373 1.709,374 2.31,376 4.634,377 1.442,378 2.731,379 1.408,380 4.108,381 2.234,382 1.28,383 1.819,385 3.292,386 1.181,387 2.47,388 1.268,389 3.618,390 1.975,391 1,392 1.446,394 2.472,395 0.972,396 2.243,397 1.03,398 3.47,399 1.626,400 0.714,401 1.052,403 2.032,404 0.606,405 1.455,406 0.911,407 2.752,408 1.01,409 0.175,410 0.207,412 0.38,413 0.063,414 0.944,415 0.207,416 2.497,417 0.439,418 -0.4,419 -0.507,421 -0.891,422 -0.254,423 0.694,424 -0.092,425 2.343,426 0.237,427 -0.713,428 -0.94,430 -2.015,431 -0.439,432 0.451,433 -0.647,434 2,435 -0.049,436 -1,437 -1.19,439 -2.368,440 -0.698,441 0.334,442 -0.846,443 1.709,444 -0.166,445 -1,446 -1.345,448 -3.281,449 -0.946,450 0.103,451 -0.996,452 1.488,453 -0.395,454 -1.264,455 -1.741,457 -3.383,458 -1.114,459 -0.106,460 -1.129,461 1.382,462 -0.661,463 -1.43,464 -1.906,466 -3.715,467 -1.265,468 9.89,469 0.549,470 0.524,471 0.029,472 25.25,473 1.403,474 13,475 0.722,476 12.25,477 0.681,478 13.107,479 0.728,480 17.11,481 0.684,482 14.32,483 0.796,484 4.751,485 0.264,486 3.897,487 0.216,488 0.272,490 0.344,496 0.726,497 1.167,498 0.453,499 0.494,500 0.559,501 0.604,502 0.522,503 0.874,504 0.567,505 0.555,506 0.534,507 0.703,508 1.085,509 1.303,510 0.944,511 1.103,512 0.992,513 1.081,514 1.176,515 0.874,516 1.072,517 0.963,518 1.3,519 0.963,520 0.905,521 0.961,522 1.022,523 1.102,524 0.745,525 1.051,526 0.928,527 0.903,528 0.834,529 0.797,530 0.845,531 0.901,532 1.412,533 1.027,534 1.758,535 1.587,536 1.663,537 1.356,538 1.066,539 0.949,540 1.515,541 1.444,542 1.263,543 1.189,544 4,546 2.444,547 1.222,548 1.362,549 0.483,550 0.265,551 0.194,552 0.082,554 2637,555 10724,556 2.086,557 28,559 4,560 2,562 1,567 1.589,568 1.929,569 2.792,570 -0.171,575 1,577 48.67,578 1.947,579 3.703,580 4.324,581 4.644,582 4.644,583 4.644,584 2.155,585 3.461,586 4.145,587 2.901,588 443.906,589 7.046,590 4107.75,591 1,592 1,594 1,595 116.096,596 1.481,597 4.09,598 0.2,600 0.084,601 0.044,602 0.059,603 0.028,604 0.017,605 0.016,606 0.01,608 0.458,609 0.5,610 1,611 0.662,612 74.761,613 -0.105,614 -0.183,615 -0.002,617 -0.085,618 0.003,619 0.218,620 0.151,621 -0.005,622 0.045,623 0.057,624 -0.028,625 -0.168,626 -0.354,627 -0.039,628 -0.2,629 -0.076,630 -0.165,631 -0.121,632 0.129,633 -0.065,634 0.05,635 -0.137,636 0.006,637 -0.021,638 0.001,639 -0.039,640 -0.114,641 0.046,642 -0.012,643 -0.011,644 0.01,645 -0.01,646 0.047,647 0.016,648 0.021,649 -0.288,650 -0.082,651 -0.196,652 -0.135,653 -0.28,654 -0.226,655 0.403,656 -0.07,657 0.113,658 0.093,659 0.345,660 0.142,661 1.869,662 4.681,663 0.833,664 10.642,665 1.027,666 1.105,667 3.35,668 11.225,669 0.851,670 3.045,671 3.401,672 3.689,673 3.97,674 4.205,675 4.263,676 4.304,677 4.419,678 4.344,679 4.234,680 4.321,681 0.78,682 371.57,683 3.045,684 4.595,685 5.46,686 6.354,687 7.241,688 8.14,689 9.035,690 9.937,691 10.836,692 11.739,693 12,700 1,701 1,703 1,709 5,710 1,714 4,715 1,716 11,734 1,735 25,737 13,738 1,739 20,741 27,742 12,743 9,744 2,745 4,746 3,747 1,748 3,749 4,750 1,753 1,762 12,766 1,767 2,772 1,774 1,776 2,780 1,783 7,784 3,785 1,786 6,787 2,788 1,789 1,792 3,797 0.667,798 1,815 1,816 2,819 1,834 1,843 2,848 1,850 1,851 18,860 1,873 2,874 4,877 1,881 9.333,882 4.602,883 3.861,884 1.373,886 2.521,887 1.383,888 1.051,889 3.067,890 9.1,891 3.35,892 3.984,893 4.586,894 5.188,895 5.685,896 6.02,897 6.352,898 6.76,899 6.997,900 7.189,901 1,902 28,903 6.599,905 2.839,906 7.874,907 12.365,909 10.12,911 2.374,912 42.731,913 0.001,916 70.627,917 130.488,918 36.695,919 39.149,920 25.145,922 56.782,923 73.706,924 134.92,925 36.695,927 27.058,928 46.952,929 45.918,930 11.342,931 27.818,932 103.866,933 39.149,934 70.627,935 110.402,936 25.145,937 39.149,938 56.782,939 70.627,940 25.145,943 24.995,944 66.962,945 57.594,946 56.782,947 70.627,948 61.84,949 112.855,950 56.782,952 70.627,953 17.706,954 114.681,955 18.011,956 81.079,957 70.627,958 61.84,959 112.855,960 56.782,961 0.594,962 0.349,963 0.188,964 0.107,965 16,966 7,967 0.037,968 1,969 1,970 1.133,971 3.004,972 134.688,973 0.133,974 15,975 75.059,981 12.043,982 4.584,983 2.177,985 59.941,986 9.107,987 4.461,991 2.913,992 1.498,993 18.011,994 302.104,995 27.5,1000 11.681,1002 1.646,1004 0.687,1007 25.676,1008 27.615,1009 0.419,1010 0.797,1011 0.931,1012 1,1013 1,1014 1,1015 4.593,1016 0.714,1017 5.468,1018 2.472,1019 4.078,1020 4.668,1021 1.701,1022 6.308,1023 3.901,1024 5.829,1025 0.175,1026 7.048,1027 2.032,1028 3.761,1029 4.527,1030 1.195,1031 7.248,1032 3.417,1033 7.155,1034 -0.4,1035 8.727,1036 0.38,1037 5.7,1038 6.882,1039 2.344,1040 10.363,1041 5.392,1042 8.516,1043 -0.713,1044 10.461,1045 -0.891,1046 6.176,1047 7.545,1048 2.262,1049 12.126,1050 5.727,1051 9.905,1052 -1,1053 12.231,1054 -2.015,1055 7.62,1056 9.376,1057 3.143,1058 14.765,1059 7.181,1060 11.316,1061 -1,1062 14.026,1063 -2.368,1064 8.456,1065 10.424,1066 3.301,1067 16.874,1068 7.903,1069 12.745,1070 -1.264,1071 15.84,1072 -3.281,1073 9.711,1074 12.033,1075 4.023,1076 19.345,1077 9.135,1078 3.199,1079 -1.43,1080 17.668,1081 -3.383,1082 10.716,1083 13.274,1084 4.321,1085 21.605,1086 10.042,1087 2.758,1088 10.872,1089 19.507,1090 -3.715,1091 11.899,1092 14.785,1093 4.946,1094 24.014,1095 11.179,1096 2.223,1097 8.857,1098 21.356,1099 4.257,1100 12.982,1101 16.124,1102 5.326,1103 26.341,1104 12.173,1105 2.199,1106 6.724,1107 23.212,1108 3.7,1109 14.14,1110 17.592,1111 5.892,1112 28.729,1113 13.271,1114 1.709,1115 6.069,1116 25.075,1117 2.983,1118 15.26,1119 18.98,1120 6.319,1121 31.085,1122 14.307,1123 1.28,1124 4.634,1125 26.942,1126 2.807,1127 16.411,1128 20.431,1129 6.852,1130 33.467,1131 15.389,1132 1,1133 3.292,1134 28.814,1135 2.31,1136 17.549,1137 21.844,1138 7.305,1139 35.837,1140 16.445,1141 2603,1142 5340,1143 13.235,1144 21.273,1145 31.085,1146 32.188,1147 31.815,1148 30.83,1149 30.512,1150 41.163,1151 3.542,1152 90.666,1153 27.338,1154 5.391,1155 5.705,1156 6.261,1157 5.199,1158 5.199,1159 7.257,1160 2.86,1161 17.972,1162 4.965,1163 8.53,1164 1.554,1165 1.609,1166 1.591,1167 1.541,1168 1.526,1169 2.058,1170 0.177,1171 4.533,1172 1.367,1173 4.058,1174 4.098,1175 10.695,1176 4.011,1177 7.43,1178 3.953,1179 3.822,1180 3.851,1181 4.057,1182 3.839,1183 4.996,1184 3.734,1185 3.337,1186 3.392,1187 3.877,1188 3.466,1189 4.829,1190 3.233,1191 3.046,1192 3.046,1193 3.368,1194 2.992,1195 4.336,1196 2.897,1197 2.879,1198 2.922,1199 3.145,1200 2.794,1201 4.195,1202 2.767,1203 2.764,1204 2.823,1205 2.857,1206 2.625,1207 3.576,1208 2.62,1209 2.265,1210 2.343,1211 2.654,1212 2.43,1213 3.543,1214 2.055,1215 2.046,1216 2.167,1217 2.23,1218 2.023,1219 3.212,1220 1.853,1221 0.228,1222 0.185,1223 0.335,1224 0.206,1225 0.16,1226 4.563,1227 0.213,1228 3.705,1229 0.081,1230 6.708,1231 0.544,1232 4.125,1233 0.148,1234 3.199,1235 4.257,1236 1.629,1237 10.872,1238 2.965,1239 1.902,1240 1.882,1241 1.985,1242 1.972,1243 1.095,1244 1.982,1245 1.723,1246 1.685,1247 1.74,1248 1.927,1249 0.875,1250 1.892,1251 1.337,1252 1.3,1253 1.433,1254 1.472,1255 0.53,1256 1.472,1257 0.911,1258 0.873,1259 1.105,1260 1.165,1261 0.176,1262 1.136,1263 0.867,1264 0.824,1265 1.038,1266 1.024,1267 0.124,1268 1.055,1269 0.77,1270 0.718,1271 0.881,1272 1,1274 0.994,1275 0.583,1276 0.525,1277 0.803,1278 0.797,1280 0.823,1283 0.341,1284 0.264,1286 0.267,1287 3.714,1289 5.056,1290 2.398,1291 6.594,1292 4.727,1293 8.223,1294 6.88,1295 9.898,1298 5.952,1300 2.135,1305 2.653,1314 19.504,1315 48.67,1316 92.587,1317 108.096,1318 116.096,1319 116.096,1320 116.096,1321 22.647,1322 6.579,1323 50.16,1324 50.16,1325 17,1326 12.26,1327 3.807,1328 3.087,1329 25.649,1330 47,1331 40,1332 0.285,1333 133.503,1334 221.08,1335 317.508,1336 5194,1337 8,1338 12.698,1339 0.705,1340 0.663,1341 14.698,1342 11.936,1343 8.648,1344 0.432,1345 0.331,1346 5.198,1347 7.403,1348 5.016,1349 4.115,1350 9.803,1351 6.629,1352 8.123,1353 0.28,1354 0.185,1355 9.644,1356 5.37,1357 6.883,1358 0.176,1359 0.093,1360 8.22,1361 3.61,1362 5.702,1363 0.11,1364 0.048,1365 6.78,1366 2.476,1367 4.717,1368 0.071,1369 0.026,1370 5.99,1371 1.704,1372 0.424,1373 70.608,1374 0.275,1375 17.656,1376 0.845,1377 98,1378 315.211,1379 271.387,1380 378.535,1381 496.55,1382 350,1383 117,1384 317.47,1385 198.616,1386 345.574,1387 509.7,1388 325,1389 5.3}
{0 CHEMBL1982660,1 1.892,2 10.962,3 3.452,4 11.917,5 86.634,6 9.291,7 0.607,8 3.81,9 3.912,10 3.532,11 3.295,12 5.119,13 3.348,14 4.317,15 4.449,16 3.976,17 3.626,18 6.119,19 3.68,20 4.452,21 4.615,22 3.946,23 3.72,24 5.893,25 3.755,26 4.483,27 4.659,28 3.884,29 3.672,30 5.909,31 3.695,32 4.496,33 4.704,34 3.8,35 3.562,36 5.941,37 3.587,38 4.369,39 4.577,40 3.617,41 3.396,42 5.793,43 3.432,44 4.17,45 4.334,46 3.612,47 3.325,48 5.979,49 3.351,50 4.098,51 4.298,52 3.414,53 3.337,54 5.422,55 3.317,56 0.258,57 0.806,58 4.617,59 3.255,60 31.725,61 3.12,62 0.996,63 1.537,64 11.104,65 5.341,66 140.536,67 5.244,68 0.738,69 1.321,70 13.157,71 5.531,72 72.957,73 5.914,74 0.775,75 1.327,76 14.41,77 6.469,78 83.64,79 6.884,80 0.915,81 1.21,82 17.918,83 6.095,84 97.063,85 7.065,86 0.923,87 0.986,88 17.215,89 5.438,90 124.77,91 5.758,92 0.906,93 0.865,94 11.545,95 4.167,96 132.939,97 4.509,98 0.593,99 0.876,100 11.384,101 4.654,102 67.153,103 5.323,104 30,105 40,106 0.334,107 0.666,108 0.784,109 0.882,110 0.891,111 0.891,112 3.304,113 0.795,114 -3.71,115 -3.68,116 -3.5,119 43.6,124 1,132 1,142 7,143 1,144 2,145 1,146 2,147 1,159 1,172 4,175 7,178 3,179 1,180 3,183 5,188 3,193 2,196 2,199 2,200 5,203 2,205 6,208 2,213 2,218 2,224 1,225 6,228 2,230 3,233 2,238 1,246 3,249 2,250 3,253 1,258 5,264 1,272 3,276 968,277 17.082,278 17.082,279 17.082,280 17.082,281 17.082,282 14.983,283 20.491,284 9.925,285 17.726,286 13.783,287 13.783,288 13.783,289 13.783,290 13.783,291 10.525,292 29.053,293 4.647,294 14.808,295 3.394,296 1.517,297 0.85,298 0.295,299 0.244,300 0.244,301 3.982,304 1,305 1,306 1,307 600,308 3.873,312 225.142,316 117.131,319 1.66,320 44.873,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 60.5,332 285,333 4.524,334 4.46,335 7.116,336 4.168,337 3.32,338 4.462,339 3.825,340 11.69,341 3,342 4.453,343 3.57,344 6.527,345 4.047,346 3.069,347 3.869,348 1.656,349 10.296,350 2.835,351 3.9,352 3.092,353 5.55,354 3.546,355 2.606,356 3.252,357 0.86,358 7.563,359 2.436,360 3.755,361 2.711,362 5.409,363 3.344,364 2.405,365 3.125,366 0.247,367 7.085,368 2.246,369 3.488,370 2.578,371 5.069,372 3.063,373 2.111,374 2.755,376 6.019,377 1.986,378 3.238,379 2.027,380 4.75,381 2.753,382 1.794,383 2.515,385 5.125,386 1.71,387 2.993,388 1.843,389 4.434,390 2.494,391 1.531,392 2.215,394 4.24,395 1.471,396 2.872,397 1.558,398 4.132,399 2.418,400 1.468,401 1.988,403 3.688,404 1.368,405 2.57,406 1.189,407 3.49,408 2.062,409 1.112,410 1.6,412 2.539,413 1.043,414 2.403,415 1.094,416 3.392,417 1.918,418 0.948,419 1.354,421 2.193,422 0.916,423 1.641,424 0.995,425 2.964,426 1.345,427 0.477,428 0.536,430 0.748,431 0.41,432 1.324,433 0.576,434 2.811,435 0.968,436 0.034,437 0.041,439 0.091,440 0.032,441 1.177,442 0.51,443 2.721,444 0.736,445 -0.259,446 -0.352,448 -0.643,449 -0.254,450 0.905,451 0.51,452 2.438,453 0.447,454 -0.5,455 -0.674,457 -1.062,458 -0.468,459 0.748,460 0.234,461 2.274,462 0.268,463 -0.717,464 -0.957,466 -1.964,467 -0.685,468 11.624,469 0.447,470 0.808,471 0.031,472 36.5,473 1.404,474 19,475 0.731,476 17.5,477 0.673,478 16.869,479 0.649,480 28.576,481 0.733,482 29.72,483 1.143,484 7.668,485 0.295,486 4.695,487 0.181,488 0.145,489 0.043,490 0.301,493 3,496 0.667,497 1.032,498 0.594,499 1.053,500 0.612,501 0.869,502 0.544,503 0.756,504 0.655,505 0.901,506 0.412,507 0.875,508 0.744,509 0.804,510 0.872,511 0.94,512 0.629,513 0.959,514 0.848,515 1.042,516 0.981,517 1.194,518 0.825,519 1.179,520 0.89,521 0.857,522 0.966,523 1.027,524 0.943,525 1.029,526 1.17,527 0.843,528 1.116,529 0.84,530 1.243,531 0.899,532 0.644,533 0.643,534 0.943,535 0.843,536 0.628,537 0.996,538 0.693,539 0.797,540 0.953,541 0.901,542 0.716,543 1.01,544 7,545 0.186,546 2.889,547 2,548 1.507,549 0.938,550 0.587,551 0.293,552 0.222,553 0.237,554 7868,555 31899,556 2.005,557 33.3,559 10,561 1,562 2,567 1.689,568 1.846,569 3.413,570 0.365,572 1,577 73.783,578 1.892,579 3.768,580 4.435,581 4.99,582 5.042,583 5.042,584 2.888,585 3.719,586 4.675,587 3.587,588 1165.68,589 8.087,590 14742.6,591 1,592 1,593 1,594 1,595 206.131,596 1.648,597 4.606,598 0.25,599 0.009,600 0.072,601 0.05,602 0.042,603 0.029,604 0.022,605 0.011,606 0.01,607 0.01,608 0.506,609 0.5,610 1,611 0.923,612 128.068,613 -0.082,614 -0.125,615 0.009,616 -0.065,617 -0.11,618 0.002,619 0.348,620 0.264,621 0.134,622 0.075,623 0.405,624 0.001,625 -0.04,626 0.015,627 -0.066,628 -0.021,629 0.007,630 -0.046,631 -0.053,632 -0.159,633 -0.098,634 -0.238,635 -0.049,636 -0.216,637 -0.033,638 -0.037,639 0.041,640 -0.094,641 -0.049,642 -0.021,643 -0.184,644 -0.001,645 -0.06,646 0.093,647 -0.195,648 0.099,649 0.285,650 0.201,651 -0.022,652 0.087,653 0.343,654 -0.073,655 0.049,656 0.06,657 -0.02,658 0.085,659 -0.024,660 0.031,661 5.839,662 5.121,663 0.615,664 21.633,665 1.049,666 1.152,667 2.485,668 6.173,669 0.675,670 3.367,671 3.714,672 3.912,673 4.143,674 4.369,675 4.382,676 4.466,677 4.443,678 4.511,679 4.454,680 6.507,681 0.688,682 362.34,683 3.367,684 4.92,685 5.753,686 6.637,687 7.489,688 8.374,689 9.233,690 10.115,691 10.979,692 11.86,693 10.3,700 2,703 2,708 2,709 8,710 2,714 4,716 17,733 1,735 39,737 18,738 1,739 28,741 41,742 17,743 14,744 3,745 3,748 3,749 4,753 1,754 1,759 1,762 15,763 2,767 1,772 1,776 1,779 1,780 1,781 3,783 13,784 9,785 2,786 9,792 4,797 0.667,798 2,809 2,816 3,820 1,843 2,847 1,849 3,851 26,860 2,861 1,865 1,873 3,874 5.1,877 1,879 1,881 14.083,882 7.329,883 5.639,884 2.039,886 3.355,887 1.467,888 0.99,889 4.962,890 10.544,891 3.651,892 4.277,893 4.838,894 5.44,895 6.014,896 6.246,897 6.576,898 6.854,899 7.149,900 7.069,901 1,902 40,903 10.072,905 4.792,906 8.439,907 17.073,909 13.47,911 2.939,912 76.417,916 129.482,917 116.101,918 69.593,920 36.145,921 44.88,923 116.101,924 165.627,925 114.473,926 10.883,927 36.022,928 66.334,929 70.487,930 80.402,931 6.604,932 117.711,933 7.76,934 129.482,935 185.694,936 81.025,939 129.482,940 81.025,943 57.729,944 94.394,945 33.571,947 174.362,948 105.737,949 116.101,952 137.242,953 22.078,954 86.264,955 36.022,956 114.596,957 129.482,958 150.618,959 116.101,961 0.589,962 0.33,963 0.171,964 0.097,965 19,966 9,967 0.073,968 3,969 1,970 1.125,971 3.728,972 212.585,973 0.125,974 16,975 117.457,981 17.962,982 7.183,983 4.235,984 1.25,985 150.618,986 11.47,987 7.576,991 -0.24,993 36.022,994 396.201,995 37.5,1000 12.121,1004 -0.722,1007 40.902,1008 44.922,1009 0.358,1010 0.713,1011 0.839,1012 0.944,1013 0.954,1014 0.954,1015 4.892,1016 1.468,1017 5.784,1018 4.24,1019 4.394,1020 4.963,1021 3.3,1022 6.621,1023 4.261,1024 6.132,1025 1.112,1026 7.37,1027 3.688,1028 4.205,1029 4.879,1030 3.949,1031 7.781,1032 3.903,1033 7.462,1034 0.948,1035 9.066,1036 2.539,1037 6.071,1038 7.207,1039 5.469,1040 10.768,1041 5.782,1042 8.827,1043 0.477,1044 10.83,1045 2.193,1046 6.648,1047 7.882,1048 6.701,1049 12.72,1050 6.174,1051 10.22,1052 0.034,1053 12.638,1054 0.748,1055 8.064,1056 9.745,1057 8.066,1058 15.315,1059 7.583,1060 11.633,1061 -0.259,1062 14.478,1063 0.091,1064 8.976,1065 10.804,1066 9.391,1067 17.567,1068 8.328,1069 13.063,1070 -0.5,1071 16.34,1072 -0.643,1073 10.229,1074 12.46,1075 10.736,1076 20.047,1077 9.541,1078 3.32,1079 -0.717,1080 18.221,1081 -1.062,1082 11.29,1083 13.724,1084 12.075,1085 22.414,1086 10.458,1087 3.069,1088 11.69,1089 20.115,1090 -1.964,1091 12.486,1092 15.283,1093 13.417,1094 24.861,1095 11.588,1096 2.606,1097 10.296,1098 22.021,1099 4.462,1100 13.612,1101 16.655,1102 14.758,1103 27.272,1104 12.589,1105 2.405,1106 7.563,1107 23.935,1108 3.869,1109 14.791,1110 18.17,1111 16.1,1112 29.712,1113 13.685,1114 2.111,1115 7.085,1116 25.857,1117 3.252,1118 15.946,1119 19.598,1120 17.441,1121 32.141,1122 14.726,1123 1.794,1124 6.019,1125 27.784,1126 3.125,1127 17.123,1128 21.094,1129 18.783,1130 34.582,1131 15.81,1132 1.531,1133 5.125,1134 29.716,1135 2.755,1136 18.292,1137 22.552,1138 20.124,1139 37.021,1140 16.871,1141 7745,1142 15801,1143 18.087,1144 26.313,1145 42.211,1146 42.496,1147 42.813,1148 41.877,1149 41.75,1150 55.426,1151 13.177,1152 122.557,1153 38.906,1154 5.396,1155 6.46,1156 6.667,1157 5.23,1158 5.32,1159 7.462,1160 5.335,1161 18.67,1162 5,1163 14.792,1164 1.508,1165 1.518,1166 1.529,1167 1.496,1168 1.491,1169 1.979,1170 0.471,1171 4.377,1172 1.39,1173 4.076,1174 4.103,1175 4.042,1176 3.995,1177 8.513,1178 4.002,1179 3.909,1180 3.949,1181 3.88,1182 3.773,1183 7.999,1184 3.79,1185 3.562,1186 3.599,1187 3.513,1188 3.392,1189 7.999,1190 3.407,1191 3.414,1192 3.459,1193 3.381,1194 3.129,1195 7.431,1196 3.185,1197 3.267,1198 3.315,1199 3.239,1200 2.964,1201 5.022,1202 3.018,1203 3.172,1204 3.249,1205 2.985,1206 2.925,1207 4.839,1208 2.929,1209 2.962,1210 3.029,1211 2.854,1212 2.795,1213 4.652,1214 2.799,1215 2.752,1216 2.825,1217 2.641,1218 2.554,1219 4.167,1220 2.564,1221 0.162,1222 0.159,1223 0.254,1224 0.149,1225 0.119,1226 4.524,1227 0.159,1228 4.46,1229 0.137,1230 7.116,1231 0.417,1232 4.168,1233 0.107,1234 3.32,1235 4.462,1236 3.825,1237 11.69,1238 3,1239 2.028,1240 2.006,1241 2.093,1242 2.126,1243 1.215,1244 2.117,1245 1.838,1246 1.802,1247 1.929,1248 1.996,1249 0.968,1250 1.973,1251 1.489,1252 1.454,1253 1.655,1254 1.705,1255 0.677,1256 1.681,1257 1.254,1258 1.208,1259 1.521,1260 1.573,1261 0.548,1262 1.529,1263 1.153,1264 1.072,1265 1.375,1266 1.426,1267 0.33,1268 1.444,1269 1.063,1270 1.022,1271 1.179,1272 1.395,1273 0.231,1274 1.316,1275 0.93,1276 0.873,1277 1.126,1278 1.136,1279 0.123,1280 1.141,1281 0.703,1282 0.635,1283 0.953,1284 0.962,1285 0.007,1286 0.973,1287 4.043,1289 5.38,1291 6.907,1293 8.519,1295 10.176,1297 1.527,1299 38.041,1305 4.861,1306 5.121,1310 -4.589,1314 26.826,1315 73.783,1316 146.969,1317 172.969,1318 194.621,1319 196.621,1320 196.621,1321 55.407,1322 7.189,1323 76.14,1324 76.14,1325 18,1326 12.398,1327 4.248,1328 3.392,1329 44.481,1330 103,1331 100,1332 0.213,1333 164.078,1334 288.91,1335 392.11,1336 12933,1337 7.7,1338 18.734,1339 0.721,1340 0.518,1341 16.234,1342 13.464,1343 12.364,1344 0.442,1345 0.265,1346 7.22,1347 11.586,1348 7.124,1349 5.884,1350 11.152,1351 7.417,1352 11.874,1353 0.297,1354 0.131,1355 9.917,1356 5.227,1357 8.931,1358 0.182,1359 0.071,1360 7.968,1361 3.479,1362 7.331,1363 0.118,1364 0.037,1365 6.813,1366 2.296,1367 5.994,1368 0.077,1369 0.019,1370 5.354,1371 1.502,1372 0.337,1373 79.803,1374 0.235,1375 25.188,1376 0.576,1377 136,1378 651.76,1379 166.214,1380 542.413,1381 704.14,1382 502,1383 157,1384 490.971,1385 180.079,1386 476.178,1387 711.66,1388 445,1389 6.3}
{0 CHEMBL1982711,1 1.71,2 7.842,3 2.217,4 4.916,5 73.462,6 9.37,7 0.762,8 3.504,9 3.609,10 3.258,11 3.144,12 4.76,13 3.137,14 3.945,15 4.062,16 3.651,17 3.539,18 5.25,19 3.511,20 4.157,21 4.304,22 3.723,23 3.634,24 5.394,25 3.581,26 4.15,27 4.305,28 3.7,29 3.563,30 5.44,31 3.496,32 4.105,33 4.322,34 3.306,35 3.388,36 5.201,37 3.27,38 3.854,39 4.088,40 3.137,41 3.146,42 4.907,43 3.033,44 3.526,45 3.713,46 2.891,47 2.846,48 4.746,49 2.77,50 3.353,51 3.544,52 2.779,53 2.525,54 4.765,55 2.502,56 0.067,57 0.422,58 3.578,59 2.097,60 8.359,61 2.274,62 0.144,63 0.641,64 6.301,65 3.618,66 19.997,67 4.217,68 0.185,69 0.741,70 11.299,71 4.985,72 25.501,73 5.668,74 0.26,75 0.718,76 12.212,77 4.806,78 28.31,79 5.343,80 0.246,81 0.682,82 15,83 5.233,84 32.57,85 6.326,86 0.186,87 0.523,88 13.373,89 4.235,90 22,91 5.377,92 0.123,93 0.375,94 8.637,95 2.814,96 14.677,97 3.304,98 0.157,99 0.328,100 5.556,101 2.137,102 20.4,103 2.432,104 11,105 30,106 0.321,107 0.649,108 0.773,109 0.822,110 0.848,111 0.848,112 3.011,113 0.866,114 -3.56,115 -3.53,116 -3.37,119 48.3,142 5,143 4,144 1,145 1,151 1,158 1,161 1,163 1,164 1,165 1,172 8,175 3,177 1,178 2,180 3,183 12,185 1,188 3,193 3,196 9,198 2,200 4,205 6,208 5,210 2,213 3,218 3,221 5,223 1,225 3,230 2,233 4,235 1,238 2,243 1,246 2,248 1,253 1,254 1,257 1,263 1,264 2,266 1,267 1,269 2,274 2,276 397,277 12.776,278 12.776,279 12.776,280 12.776,281 12.776,282 10.769,283 4.426,284 7.38,285 12.984,286 10.333,287 10.333,288 10.333,289 10.333,290 10.333,291 7.335,292 2.992,293 3.441,294 10.719,295 3.147,296 1.406,297 0.745,298 0.483,299 0.345,300 0.345,301 3.688,302 1,305 1,306 1,307 320,308 2.449,311 36.678,312 99.381,315 69.919,319 1.235,320 18.317,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 40.833,332 149,333 4.667,334 3.501,335 6.884,336 4.2,337 3.23,338 4.626,339 0.98,340 11.489,341 3.134,342 4.157,343 3.342,344 5.959,345 3.768,346 2.766,347 3.763,349 8.33,350 2.767,351 3.796,352 2.691,353 5.785,354 3.405,355 2.426,356 3.204,358 7.738,359 2.357,360 3.423,361 2.322,362 5.034,363 2.873,364 1.995,365 2.809,367 5.677,368 1.694,369 3.119,370 1.973,371 4.482,372 2.601,373 1.62,374 2.383,376 4.253,377 1.58,378 2.757,379 1.476,380 3.868,381 2.245,382 1.248,383 1.803,385 2.95,386 1.233,387 2.511,388 1.067,389 3.688,390 2,391 1,392 1.5,394 2.529,395 1,396 2.5,397 1,398 3.414,399 1.982,400 1,401 1.49,403 2.275,404 0.977,405 2.169,406 0.944,407 3.304,408 1.616,409 0.716,410 1.02,412 1.765,413 0.614,414 1.06,415 0.213,416 2.465,417 0.59,418 -0.291,419 -0.369,421 -0.675,422 -0.197,423 0.983,424 0.099,425 2.363,426 0.475,427 -0.451,428 -0.61,430 -1.08,431 -0.436,432 0.569,433 -0.427,434 2,435 0.061,436 -0.926,437 -1.252,439 -2,440 -0.883,441 0.5,442 -0.909,443 2,444 0.018,445 -1,446 -1.447,448 -2.433,449 -1,450 0.418,451 -1,452 1.88,454 -1,455 -1.5,457 -3,458 -1.003,459 0.074,460 -1.029,461 1.737,462 -0.414,463 -1.277,464 -1.714,466 -3.311,467 -1.036,468 9.248,469 0.487,470 0.507,471 0.027,472 27.75,473 1.461,474 15.5,475 0.816,476 12.25,477 0.645,478 11.404,479 0.6,480 18.952,481 0.654,482 18.005,483 0.948,484 5.641,485 0.297,486 3.523,487 0.185,488 0.157,490 0.378,496 0.762,497 0.981,498 0.553,499 0.679,500 0.712,501 0.668,502 0.565,503 0.934,504 0.615,505 0.811,506 0.482,507 0.822,508 0.986,509 1.104,510 0.919,511 0.986,512 0.927,513 0.979,514 1.007,515 1.116,516 1.091,517 1.153,518 1.028,519 1.151,520 1.016,521 0.981,522 1.135,523 1.067,524 0.944,525 1.133,526 0.867,527 0.867,528 1.128,529 0.94,530 0.584,531 0.941,532 1.145,533 1.154,534 1.314,535 1.243,536 1.047,537 1.155,538 1.192,539 1.165,540 0.748,541 1.033,542 1.792,543 1.008,544 3.5,545 0.025,546 2.667,547 1.438,548 1.086,549 0.5,550 0.246,551 0.233,552 0.198,553 0.044,554 3132,555 10978,556 2.081,557 34.5,559 5,560 1,561 1,562 3,567 1.603,568 1.932,569 2.962,570 1.148,572 1,574 1,577 49.604,578 1.71,579 3.452,580 4.113,581 4.375,582 4.513,583 4.513,584 2.484,585 3.787,586 4.219,587 3.088,588 528.037,589 7.184,590 5043.41,591 1,592 1,594 1,595 140.881,596 1.462,597 4.171,598 0.167,599 0.012,600 0.089,601 0.048,602 0.042,603 0.028,604 0.016,605 0.019,606 0.02,607 0.006,608 0.447,609 0.67,610 1,611 0.868,612 81.371,613 -0.137,614 0.103,615 -0.015,616 0.123,617 -0.152,618 0.099,619 0.104,620 0.094,621 0.018,622 0.04,623 0.123,624 0.003,625 -0.125,626 -0.152,627 -0.046,628 -0.048,629 -0.068,630 -0.06,631 -0.041,632 -0.152,633 -0.095,634 -0.206,635 -0.097,636 -0.232,637 -0.141,638 -0.065,639 -0.103,640 -0.044,641 -0.122,642 -0.071,643 -0.048,644 0.04,645 0.051,646 0.124,647 0.039,648 0.177,649 -0.142,650 -0.229,651 -0.178,652 -0.237,653 -0.087,654 -0.149,655 0.178,656 -0.175,657 0.121,658 -0.09,659 -0.081,660 -0.062,661 2.106,662 4.05,663 0.789,664 12.51,665 1.017,666 1.114,667 2.331,668 5.432,669 0.737,670 3.091,671 3.434,672 3.738,673 4.007,674 4.19,675 4.263,676 4.357,677 4.443,678 4.431,679 4.29,680 4.721,681 0.714,682 271.72,683 3.091,684 4.635,685 5.501,686 6.392,687 7.277,688 8.174,689 9.066,690 9.966,691 10.862,692 11.763,693 10.3,700 1,701 1,703 1,708 2,709 7,710 1,711 1,714 4,716 16,722 1,734 1,735 29,737 17,738 1,739 21,741 31,742 14,743 13,744 2,745 4,746 1,748 3,749 4,750 1,762 14,767 1,772 1,776 1,780 1,783 10,784 3,785 3,786 5,787 1,792 3,797 0.667,798 1,809 1,811 1,815 1,816 2,819 1,843 2,848 1,851 19,852 1,873 1,874 3.4,877 1,881 9.833,882 5.176,883 4.139,884 1.569,886 3.289,887 1.492,888 1.045,889 2.913,890 9.967,891 3.434,892 4.107,893 4.78,894 5.428,895 5.964,896 6.335,897 6.788,898 7.222,899 7.49,900 7.755,901 1,902 30,903 6.945,905 2.99,906 7.936,907 12.953,909 10.641,911 2.436,912 46.278,913 0.001,916 82.398,917 87.526,918 66.468,919 39.149,920 25.145,923 87.526,924 146.691,925 66.468,927 32.897,928 56.429,929 60.122,930 41.463,931 11.771,932 58.856,933 39.149,934 82.398,935 153.995,936 25.145,937 39.149,939 82.398,940 25.145,943 60.445,944 76.764,945 55.934,947 82.398,948 91.613,949 126.675,952 82.398,953 22.05,954 65.476,955 16.786,956 113.976,957 82.398,958 91.613,959 126.675,961 0.59,962 0.353,963 0.188,964 0.097,965 16,966 7,967 0.065,968 2,969 1,970 1.133,971 3.109,972 143.645,973 0.133,974 15,975 76.711,981 12.055,982 4.592,983 2.062,984 1.609,985 74.828,986 12.322,987 4.22,988 3.078,991 3.017,993 49.683,994 300.686,995 30,1000 11.05,1004 -0.44,1007 29.491,1008 32.309,1009 0.352,1010 0.711,1011 0.847,1012 0.901,1013 0.929,1014 0.929,1015 4.654,1016 1,1017 5.501,1018 2.529,1019 4.111,1020 4.792,1021 1.072,1022 6.347,1023 4.043,1024 5.897,1025 0.716,1026 7.086,1027 2.275,1028 3.761,1029 4.677,1031 7.353,1032 3.657,1033 7.226,1034 -0.291,1035 8.774,1036 1.765,1037 5.733,1038 7.105,1039 1.045,1040 10.469,1041 5.624,1042 8.597,1043 -0.451,1044 10.524,1045 -0.675,1046 6.217,1047 7.857,1049 12.333,1050 6.079,1051 10.001,1052 -0.926,1053 12.313,1054 -1.08,1055 7.673,1056 9.741,1057 1.019,1058 14.979,1059 7.525,1060 11.43,1061 -1,1062 14.129,1063 -2,1064 8.525,1065 10.9,1067 17.185,1068 8.35,1069 12.879,1070 -1,1071 15.966,1072 -2.433,1073 9.786,1074 12.566,1075 0.993,1076 19.685,1077 9.593,1078 3.23,1079 -1.277,1080 17.818,1081 -3,1082 10.805,1083 13.921,1085 22.031,1086 10.582,1087 2.766,1088 11.489,1089 19.682,1090 -3.311,1091 11.994,1092 15.499,1093 0.967,1094 24.487,1095 11.747,1096 2.426,1097 8.33,1098 21.556,1099 4.626,1100 13.089,1101 16.946,1103 26.888,1104 12.81,1105 1.995,1106 7.738,1107 23.438,1108 3.763,1109 14.254,1110 18.489,1111 0.942,1112 29.332,1113 13.946,1114 1.62,1115 5.677,1116 25.327,1117 3.204,1118 15.384,1119 19.979,1121 31.756,1122 15.044,1123 1.248,1124 4.253,1125 27.221,1126 2.809,1127 16.543,1128 21.51,1129 0.917,1130 34.196,1131 16.172,1132 1,1133 2.95,1134 29.121,1135 2.383,1136 17.691,1137 23.021,1139 36.63,1140 17.286,1141 3097,1142 5867,1143 13.929,1144 21.375,1145 32.482,1146 32.902,1147 33.41,1148 32.154,1149 32.003,1150 45.196,1151 1.96,1152 94.014,1153 30.712,1154 5.344,1155 5.501,1156 6.429,1157 5.241,1158 5.23,1159 7.626,1160 1.96,1161 18.665,1162 5.134,1163 9.111,1164 1.547,1165 1.567,1166 1.591,1167 1.531,1168 1.524,1169 2.152,1170 0.093,1171 4.477,1172 1.462,1173 4.134,1174 4.166,1175 4.167,1176 4.049,1177 7.437,1178 4.057,1179 3.864,1180 3.892,1181 3.841,1182 3.783,1183 5.122,1184 3.786,1185 3.416,1186 3.463,1187 3.54,1188 3.276,1189 4.899,1190 3.282,1191 3.278,1192 3.341,1193 3.27,1194 3.023,1195 4.673,1196 3.06,1197 2.868,1198 2.925,1199 3.08,1200 2.735,1201 4.576,1202 2.715,1203 2.854,1204 2.921,1205 2.687,1206 2.677,1207 4.267,1208 2.693,1209 2.597,1210 2.673,1211 2.575,1212 2.411,1213 3.674,1214 2.413,1215 2.369,1216 2.447,1217 2.223,1218 2.206,1219 3.567,1220 2.201,1221 0.222,1222 0.167,1223 0.328,1224 0.2,1225 0.154,1226 4.667,1227 0.22,1228 3.501,1229 0.047,1230 6.884,1231 0.547,1232 4.2,1233 0.149,1234 3.23,1235 4.626,1236 0.98,1237 11.489,1238 3.134,1239 1.962,1240 1.945,1241 2.036,1242 2.029,1243 1.175,1244 2.032,1245 1.813,1246 1.785,1247 1.873,1248 1.951,1249 0.968,1250 1.936,1251 1.452,1252 1.403,1253 1.582,1254 1.668,1255 0.61,1256 1.647,1257 1.162,1258 1.107,1259 1.361,1260 1.478,1261 0.315,1262 1.453,1263 0.967,1264 0.916,1265 1.181,1266 1.14,1267 0.218,1268 1.157,1269 0.886,1270 0.821,1271 1.17,1272 1.062,1273 0.09,1274 1.107,1275 0.564,1276 0.509,1277 0.838,1278 0.792,1280 0.81,1281 0.48,1282 0.397,1283 0.694,1284 0.728,1286 0.74,1287 3.761,1289 5.094,1290 2.398,1291 6.629,1292 4.727,1293 8.256,1294 6.862,1295 9.93,1298 6.201,1301 5.221,1314 20.714,1315 49.604,1316 100.111,1317 119.272,1318 126.881,1319 130.881,1320 130.881,1321 25.893,1322 6.678,1323 71.77,1324 71.77,1325 17,1326 12.285,1327 4.17,1328 3.322,1329 27.83,1330 53,1331 52,1332 0.267,1333 132.176,1334 216.86,1335 314.269,1336 6007,1337 3.4,1338 13.405,1339 0.706,1340 0.558,1341 13.905,1342 10.608,1343 9.165,1344 0.436,1345 0.289,1346 5.657,1347 8.628,1348 5.514,1349 4.553,1350 9.453,1351 6.062,1352 8.406,1353 0.28,1354 0.152,1355 8.776,1356 4.568,1357 7.166,1358 0.175,1359 0.081,1360 7.503,1361 3.318,1362 6.049,1363 0.112,1364 0.043,1365 6.41,1366 2.306,1367 4.628,1368 0.071,1369 0.023,1370 4.91,1371 1.473,1372 0.405,1373 59.938,1374 0.268,1375 18.725,1376 0.771,1377 102,1378 307.229,1379 124.258,1380 334.437,1381 447.58,1382 310,1383 122,1384 307.781,1385 140.034,1386 324.575,1387 475.5,1388 306,1389 6.3}
{0 CHEMBL1982753,1 1.623,2 9.48,3 3.385,4 11.457,5 100.626,6 7.657,7 0.444,8 3.942,9 4.084,10 3.513,11 3.472,12 5.044,13 3.443,14 4.466,15 4.642,16 3.891,17 3.88,18 5.565,19 3.813,20 4.812,21 5.054,22 3.944,23 4.008,24 5.811,25 3.909,26 4.829,27 5.1,28 3.879,29 3.922,30 5.885,31 3.814,32 4.716,33 4.985,34 3.752,35 3.865,36 5.718,37 3.768,38 4.591,39 4.818,40 3.845,41 3.862,42 5.695,43 3.779,44 4.623,45 4.845,46 3.8,47 3.856,48 5.712,49 3.756,50 4.614,51 4.86,52 3.778,53 3.76,54 5.728,55 3.642,56 0.064,57 0.717,58 9.823,59 3.879,60 12.736,61 5.45,62 0.154,63 1.117,64 18.039,65 7.183,66 30.435,67 10.09,68 0.311,69 1.386,70 30.605,71 9.147,72 48.47,73 13.477,74 0.542,75 1.344,76 31.998,77 8.731,78 66.561,79 13.36,80 0.394,81 1.216,82 28.895,83 7.95,84 51.232,85 11.922,86 0.277,87 1.151,88 22.759,89 7.513,90 37.689,91 11.033,92 0.275,93 1.129,94 24.006,95 7.692,96 44.573,97 10.91,98 0.411,99 1.014,100 27.906,101 7.786,102 61.415,103 11.221,104 18,105 37,106 0.28,107 0.62,108 0.775,109 0.876,110 0.898,111 0.913,112 3.267,113 0.973,114 -4.39,115 -4.32,116 -4.08,119 38.3,121 4,127 2,142 6,143 1,144 2,147 2,158 1,163 2,164 2,165 2,172 7,175 3,177 1,178 3,180 7,183 8,185 2,188 2,192 1,193 8,195 1,196 3,198 3,199 1,200 4,202 1,203 2,204 2,205 7,207 1,208 4,210 2,213 3,215 1,216 1,218 1,221 6,223 1,225 5,228 1,229 1,230 6,232 1,233 9,235 3,238 1,242 1,243 5,245 1,246 6,248 2,250 3,255 6,258 5,260 3,264 2,266 1,267 1,268 1,269 4,271 2,272 5,274 4,275 1,276 966,277 16.654,278 16.654,279 16.654,280 16.654,281 16.654,282 15.01,283 24.517,284 9.904,285 16.956,286 13.339,287 13.339,288 13.339,289 13.339,290 13.339,291 10.872,292 43.006,293 4.725,294 13.918,295 3.931,296 1.952,297 1.053,298 0.468,299 0.34,300 0.255,301 3.948,302 1,304 1,305 1,306 1,307 501,308 2.915,312 253.137,319 1.462,320 26.575,322 1,323 0.75,324 0.83,325 0.83,326 0.9,327 0.5,328 0.83,329 1,330 0.81,331 53.833,332 237,333 4.381,334 3.542,335 6.438,336 4.002,337 3.031,338 4.022,339 0.98,340 9.925,341 2.949,342 4.025,343 3.029,344 6.058,345 3.783,346 2.813,347 3.631,348 0.4,349 8.729,350 2.726,351 3.87,352 2.981,353 5.525,354 3.57,355 2.619,356 3.09,357 0.4,358 7.463,359 2.477,360 3.579,361 2.751,362 5.3,363 3.245,364 2.282,365 2.709,367 6.702,368 2.187,369 3.348,370 2.397,371 4.888,372 2.939,373 2.032,374 2.59,376 5.552,377 1.803,378 3.044,379 2.085,380 4.575,381 2.607,382 1.652,383 2.196,385 4.548,386 1.528,387 2.683,388 1.523,389 4.131,390 2.406,391 1.414,392 1.738,394 3.667,395 1.4,396 2.642,397 1.451,398 3.695,399 2.389,400 1.414,401 1.68,403 2.971,404 1.374,405 2.433,406 1.419,407 3.597,408 2.171,409 1.185,410 1.423,412 2.718,413 1.147,414 2.414,415 1.223,416 3.481,417 2.124,418 1.131,419 1.414,421 2.585,422 1.114,423 1.447,424 0.48,425 2.95,426 1.19,427 0.229,428 0.252,430 0.558,431 0.219,432 1.271,433 0.29,434 2.94,435 1.012,436 0.063,437 0.077,439 0.17,440 0.06,441 0.948,442 0.207,443 2.295,444 0.625,445 -0.327,446 -0.372,448 -0.773,449 -0.255,450 0.85,451 0.07,452 2.175,453 0.401,454 -0.421,455 -0.519,457 -0.976,458 -0.321,459 0.659,460 -0.192,461 2,462 0.271,463 -0.679,464 -0.758,466 -1.705,467 -0.641,468 12.048,469 0.482,470 0.647,471 0.026,472 30.5,473 1.22,474 14.5,475 0.58,476 16,477 0.64,478 21.604,479 0.864,480 27.552,481 0.586,482 21.962,483 0.878,484 5.686,485 0.227,486 6.339,487 0.254,488 0.153,490 0.332,496 0.892,497 1.212,498 0.706,499 0.896,500 0.82,501 0.878,502 0.562,503 1.31,504 0.728,505 1.13,506 0.456,507 1.085,508 1.011,509 1.198,510 0.927,511 1.026,512 0.849,513 1.007,514 0.849,515 0.941,516 0.809,517 0.869,518 0.772,519 0.902,520 1.123,521 0.811,522 0.869,523 0.733,524 0.985,525 0.778,526 0.708,527 1.096,528 0.713,529 0.975,530 0.667,531 0.959,532 1.214,533 1.097,534 0.947,535 1.022,536 1.297,537 1.075,538 0.981,539 1.016,540 0.971,541 1.068,542 1.098,543 1.023,544 5.5,545 0.107,546 2.444,547 1.813,548 1.338,549 0.764,550 0.526,551 0.477,552 0.312,553 0.113,554 6797,555 18538,556 2.038,557 46.8,558 4,559 8,562 6,564 4,567 1.684,568 1.899,569 3.233,570 3.49,571 1,572 1,577 76.29,578 1.623,579 3.602,580 4.501,581 5.087,582 5.214,583 5.299,584 2.668,585 4.564,586 4.616,587 3.401,588 1020.17,589 8.004,590 12470.9,592 1,594 1,595 261.066,596 1.44,597 4.569,598 0.204,599 0.008,600 0.066,601 0.049,602 0.041,603 0.024,604 0.015,605 0.016,606 0.012,607 0.006,608 0.44,610 1,611 0.795,612 120.143,613 -0.15,614 0.073,615 -0.006,616 0.111,617 -0.132,618 0.09,619 0.151,620 -0.15,621 0.028,622 -0.114,623 0.181,624 -0.092,625 -0.081,626 -0.174,627 -0.027,628 -0.074,629 -0.022,630 -0.046,631 0.135,632 0.052,633 0.062,634 0.029,635 0.103,636 0.032,637 -0.139,638 0.182,639 0.018,640 0.185,641 -0.085,642 0.167,643 0.119,644 -0.03,645 0.078,646 -0.013,647 0.107,648 0.011,649 -0.156,650 -0.05,651 -0.074,652 -0.063,653 -0.16,654 -0.123,655 0.123,656 -0.072,657 0.079,658 -0.08,659 0.089,660 -0.042,661 2.21,662 4.708,663 0.72,664 21.414,665 1.002,666 1.136,667 3.159,668 9.981,669 0.664,670 3.332,671 3.638,672 3.85,673 4.078,674 4.277,675 4.304,676 4.357,677 4.522,678 4.564,679 4.543,680 5.908,681 0.625,682 359.9,683 3.332,684 4.86,685 5.687,686 6.55,687 7.393,688 8.26,689 9.11,690 9.979,691 10.832,692 11.704,693 10.6,694 1,698 1,700 1,701 1,703 1,709 6,710 1,714 5,716 12,722 1,728 2,734 1,735 47,737 13,738 1,739 27,741 49,742 18,743 11,744 2,745 4,746 1,748 3,749 3,750 1,757 6,760 6,762 12,763 6,767 1,772 1,776 1,779 1,780 1,783 22,784 6,785 6,786 7,787 1,792 5,797 1,798 1,809 1,816 3,836 1,843 3,848 1,851 25,852 2,858 4,860 2,863 2,873 1,874 2.1,877 1,881 13.167,882 7.843,883 5.5,884 2.795,886 2.265,887 1.325,888 0.981,889 5.785,890 9.238,891 3.555,892 4.094,893 4.57,894 5.081,895 5.571,896 5.753,897 5.993,898 6.366,899 6.637,900 6.886,901 1,902 37,903 9.233,905 3.929,906 7.811,907 17.602,909 14.558,911 2.311,912 57.778,915 1,916 188.338,917 85.799,918 118.601,919 39.149,920 25.145,923 85.799,924 252.631,925 118.601,927 75.933,928 56.857,929 64.646,930 27.454,931 4.656,932 188.338,933 39.149,934 188.338,935 204.4,936 25.145,937 39.149,939 141.253,940 72.229,943 93.943,944 75.661,945 73.945,947 188.338,948 143.746,949 124.948,952 188.338,953 28.942,954 56.857,955 36.022,956 146.873,957 188.338,958 143.746,959 124.948,961 0.58,962 0.327,963 0.172,964 0.093,965 17,966 8,967 0.102,968 5,970 1,971 3.67,972 201.566,974 18,975 114.096,981 17.987,982 8.041,983 4.628,985 143.746,986 10.611,987 4.526,991 2.696,993 101.816,994 457.032,995 34,1000 11.708,1004 -0.544,1007 47.112,1008 53.382,1009 0.292,1010 0.649,1011 0.81,1012 0.916,1013 0.939,1014 0.954,1015 4.787,1016 1.414,1017 5.666,1018 3.667,1019 4.317,1020 4.779,1021 1.27,1022 6.435,1023 4.235,1024 5.967,1025 1.185,1026 7.201,1027 2.971,1028 3.892,1029 4.527,1031 7.239,1032 3.733,1033 7.253,1034 1.131,1035 8.832,1036 2.718,1037 5.872,1038 6.863,1039 1.08,1040 10.303,1041 5.718,1042 8.566,1043 0.229,1044 10.519,1045 2.585,1046 6.217,1047 7.372,1049 11.914,1050 6.002,1051 9.909,1052 0.063,1053 12.242,1054 0.558,1055 7.69,1056 9.234,1057 1.025,1058 14.486,1059 7.474,1060 11.273,1061 -0.327,1062 13.99,1063 0.17,1064 8.404,1065 10.118,1067 16.452,1068 8.142,1069 12.652,1070 -0.421,1071 15.755,1072 -0.773,1073 9.657,1074 11.761,1075 0.994,1076 18.838,1077 9.384,1078 3.031,1079 -0.679,1080 17.535,1081 -0.976,1082 10.556,1083 12.85,1085 20.969,1086 10.245,1087 2.813,1088 9.925,1089 19.327,1090 -1.705,1091 11.709,1092 14.377,1093 0.967,1094 23.283,1095 11.383,1096 2.619,1097 8.729,1098 21.127,1099 4.022,1100 12.699,1101 15.585,1103 25.492,1104 12.34,1105 2.282,1106 7.463,1107 22.935,1108 3.631,1109 13.81,1110 17.047,1111 0.942,1112 27.781,1113 13.431,1114 2.032,1115 6.702,1116 24.749,1117 3.09,1118 14.847,1119 18.325,1121 30.027,1122 14.439,1123 1.652,1124 5.552,1125 26.568,1126 2.709,1127 15.941,1128 19.75,1129 0.917,1130 32.308,1131 15.511,1132 1.414,1133 4.548,1134 28.392,1135 2.59,1136 17.002,1137 21.07,1139 34.573,1140 16.544,1141 6664,1142 11179,1143 17.8,1144 31.194,1145 40.051,1146 40.689,1147 41.38,1148 39.942,1149 39.732,1150 49.645,1151 3.56,1152 111.177,1153 37.967,1154 5.381,1155 5.542,1156 6.126,1157 5.061,1158 5.031,1159 7.022,1160 1.96,1161 16.567,1162 4.949,1163 12.707,1164 1.483,1165 1.507,1166 1.533,1167 1.479,1168 1.472,1169 1.839,1170 0.132,1171 4.118,1172 1.406,1173 3.996,1174 4.04,1175 4.016,1176 3.886,1177 7.437,1178 3.892,1179 3.876,1180 3.923,1181 3.883,1182 3.783,1183 5.019,1184 3.78,1185 3.804,1186 3.839,1187 3.719,1188 3.702,1189 4.968,1190 3.699,1191 3.368,1192 3.43,1193 3.336,1194 3.121,1195 4.903,1196 3.15,1197 3.216,1198 3.319,1199 3.293,1200 2.99,1201 4.795,1202 2.982,1203 3.145,1204 3.233,1205 3.021,1206 2.913,1207 4.361,1208 2.92,1209 3.061,1210 3.136,1211 2.963,1212 2.892,1213 4.168,1214 2.893,1215 2.877,1216 2.921,1217 2.884,1218 2.785,1219 3.953,1220 2.761,1221 0.162,1222 0.131,1223 0.238,1224 0.148,1225 0.112,1226 4.381,1227 0.149,1228 3.542,1229 0.036,1230 6.438,1231 0.368,1232 4.002,1233 0.109,1234 3.031,1235 4.022,1236 0.98,1237 9.925,1238 2.949,1239 1.924,1240 1.89,1241 2.089,1242 2.074,1243 1.465,1244 2.076,1245 1.872,1246 1.828,1247 1.988,1248 1.999,1249 1.077,1250 2.006,1251 1.785,1252 1.752,1253 1.884,1254 1.897,1255 0.968,1256 1.901,1257 1.269,1258 1.207,1259 1.527,1260 1.563,1261 0.81,1262 1.539,1263 1.197,1264 1.106,1265 1.507,1266 1.482,1267 0.773,1268 1.497,1269 1.098,1270 1.025,1271 1.353,1272 1.384,1273 0.299,1274 1.399,1275 1.013,1276 0.947,1277 1.224,1278 1.252,1279 0.177,1280 1.255,1281 0.867,1282 0.824,1283 1.073,1284 1.067,1285 0.135,1286 1.084,1287 4.007,1289 5.313,1291 6.81,1293 8.394,1295 10.019,1298 6.011,1301 11.658,1303 4.329,1305 6.496,1308 0.287,1314 29.391,1315 76.29,1316 169.317,1317 211.556,1318 239.066,1319 245.066,1320 249.066,1321 47.944,1322 6.974,1323 106.06,1324 106.06,1325 18,1326 12.25,1327 3.807,1328 3,1329 41.558,1330 86,1331 81,1332 0.231,1333 187.061,1334 321.6,1335 448.189,1336 9253,1337 2.1,1338 17.811,1339 0.712,1340 0.584,1341 18.311,1342 14.591,1343 12.025,1344 0.445,1345 0.324,1346 8.328,1347 11.386,1348 8.155,1349 6.759,1350 12.314,1351 8.761,1352 10.978,1353 0.297,1354 0.182,1355 11.386,1356 6.728,1357 8.612,1358 0.187,1359 0.101,1360 8.875,1361 4.636,1362 7.121,1363 0.123,1364 0.056,1365 7.389,1366 3.256,1367 5.523,1368 0.078,1369 0.031,1370 5.689,1371 2.22,1372 0.357,1373 77.704,1374 0.237,1375 24.154,1376 0.648,1377 128,1378 344.874,1379 154.06,1380 371.505,1381 495.09,1382 344,1383 147,1384 342.02,1385 166.774,1386 357.196,1387 518.39,1388 337,1389 6.1}
{0 CHEMBL1982866,1 1.68,2 8.318,3 3.129,4 9.788,5 86.715,6 8.508,7 0.708,8 3.726,9 3.837,10 3.415,11 3.282,12 4.88,13 3.272,14 4.221,15 4.386,16 3.733,17 3.629,18 5.321,19 3.604,20 4.343,21 4.53,22 3.73,23 3.726,24 5.391,25 3.656,26 4.374,27 4.584,28 3.678,29 3.689,30 5.41,31 3.617,32 4.362,33 4.576,34 3.684,35 3.666,36 5.364,37 3.618,38 4.357,39 4.559,40 3.675,41 3.683,42 5.417,43 3.611,44 4.391,45 4.612,46 3.595,47 3.65,48 5.38,49 3.525,50 4.322,51 4.575,52 3.398,53 3.416,54 5.293,55 3.28,56 0.053,57 0.556,58 5.999,59 3.078,60 6.017,61 3.808,62 0.25,63 0.85,64 13.091,65 4.825,66 19.726,67 5.831,68 0.267,69 0.929,70 17.321,71 5.963,72 21.765,73 7.674,74 0.278,75 0.969,76 18.005,77 6.199,78 24.722,79 8.31,80 0.213,81 0.977,82 15.857,83 5.672,84 17.117,85 7.59,86 0.282,87 0.971,88 15.42,89 5.524,90 23.794,91 7.272,92 0.235,93 0.883,94 18.214,95 7.026,96 23.829,97 9.446,98 0.297,99 0.742,100 20.895,101 6.609,102 31.291,103 8.71,104 8,105 32,106 0.302,107 0.638,108 0.817,109 0.854,110 0.854,111 0.854,112 3.147,113 0.905,114 -3.94,115 -3.89,116 -3.69,119 43.2,124 1,125 2,142 5,143 2,144 1,145 1,146 2,148 1,151 1,166 1,172 4,174 1,175 6,183 8,187 1,188 3,196 6,199 3,200 8,208 4,213 5,221 2,224 2,225 5,233 3,237 1,238 6,250 5,258 1,263 1,276 694,277 15.215,278 15.215,279 15.215,280 15.215,281 15.215,282 13.219,283 7.811,284 9.385,285 15.78,286 11.857,287 11.857,288 11.857,289 11.857,290 11.857,291 8.907,292 5.264,293 4.469,294 12.706,295 3.53,296 1.656,297 0.659,298 0.453,299 0.453,300 0.453,301 3.83,302 1,304 1,305 1,306 1,307 387,308 2.449,311 60.697,312 137.389,319 1.256,320 14.842,321 1,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 47.333,332 183,333 4.536,334 3.193,335 6.725,336 4.151,337 3.174,338 4.255,339 0.86,340 10.997,341 3.102,342 3.983,343 2.91,344 5.772,345 3.54,346 2.578,347 3.58,349 7.837,350 2.481,351 3.768,352 2.499,353 5.311,354 3.319,355 2.381,356 3.287,358 6.847,359 2.228,360 3.48,361 2.423,362 5.019,363 3.063,364 2.159,365 2.783,367 5.976,368 1.887,369 3.107,370 2.061,371 4.526,372 2.64,373 1.704,374 2.34,376 4.356,377 1.572,378 2.682,379 1.703,380 3.914,381 2.301,382 1.414,383 1.749,385 3.073,386 1.245,387 2.5,388 1.27,389 3.474,390 2.059,391 1.146,392 1.5,394 2.5,395 1.028,396 2.5,397 1,398 3.414,399 2,400 1,401 1.5,403 2.275,404 1,405 2.4,406 1,407 3.396,408 1.942,409 1,410 1.391,412 2.201,413 0.939,414 2.278,415 0.834,416 3.247,417 1.747,418 0.799,419 1.174,421 2.136,422 0.751,423 1.313,424 0.573,425 2.603,426 1.127,427 0.225,428 0.24,430 0.357,431 0.201,432 1.125,433 0.317,434 2.491,435 0.661,436 -0.194,437 -0.244,439 -0.433,440 -0.134,441 0.756,442 -0.316,443 2.222,444 0.301,445 -0.637,446 -0.818,448 -1.444,449 -0.586,450 0.5,451 -0.611,452 2,454 -0.88,455 -0.984,457 -1.782,458 -0.742,459 0.5,460 -0.905,461 1.664,462 -0.003,463 -1,464 -1.424,466 -2.347,467 -0.917,468 10.648,469 0.484,470 0.397,471 0.018,472 30.5,473 1.386,474 16,475 0.727,476 14.5,477 0.659,478 14.737,479 0.67,480 22.952,481 0.62,482 20.534,483 0.933,484 6.269,485 0.285,486 4.506,487 0.205,488 0.114,490 0.272,496 0.726,497 1.324,498 0.576,499 1.02,500 0.672,501 0.908,502 1.364,503 0.997,504 0.757,505 0.702,506 1.022,507 0.752,508 1.003,509 1.05,510 1.023,511 0.949,512 1.02,513 0.969,514 0.733,515 1.039,516 0.888,517 0.994,518 0.818,519 0.984,520 0.921,521 1.14,522 0.629,523 0.839,524 0.682,525 0.845,526 0.872,527 0.97,528 0.857,529 0.983,530 0.956,531 1.069,532 0.639,533 1.098,534 0.827,535 1.182,536 0.763,537 1.182,538 1.131,539 0.962,540 0.962,541 1.045,542 1.001,543 1.026,544 3.5,545 0.054,546 2,547 1.16,548 1.198,549 0.706,550 0.284,551 0.27,552 0.172,553 0.101,554 4617,555 14728,556 2.097,557 40.5,559 12,560 1,561 2,567 1.652,568 2,569 3.069,570 -0.717,571 1,572 1,574 1,577 62.146,578 1.68,579 3.554,580 4.551,581 4.757,582 4.757,583 4.757,584 2.517,585 4.096,586 4.423,587 3.203,588 739.994,589 7.64,590 8114.04,591 1,592 1,593 1,594 1,595 192.75,596 1.241,597 4.407,598 0.146,599 0.013,600 0.063,601 0.037,602 0.04,603 0.023,604 0.01,605 0.012,606 0.01,607 0.01,608 0.364,609 0.5,610 1,611 1.125,612 99.98,613 0.043,614 -0.187,615 0.038,616 -0.115,617 0.004,618 -0.046,619 -0.236,620 0.087,621 -0.003,622 0.201,623 -0.11,624 0.121,625 -0.108,626 -0.015,627 -0.109,628 0.005,629 -0.121,630 -0.033,631 0.072,632 -0.009,633 -0.044,634 -0.058,635 0.032,636 -0.035,637 -0.103,638 -0.088,639 0.056,640 0.056,641 0.037,642 0.081,643 -0.054,644 0.122,645 -0.115,646 -0.093,647 -0.123,648 -0.168,649 0.159,650 -0.181,651 0.047,652 -0.185,653 0.089,654 -0.164,655 0.007,656 -0.127,657 0.108,658 -0.021,659 0.107,660 0.021,661 0.967,662 1.856,663 0.773,664 18.504,665 1.01,666 1.125,667 2.71,668 7.343,669 0.7,670 3.219,671 3.497,672 3.761,673 4.043,674 4.29,675 4.357,676 4.466,677 4.554,678 4.533,679 4.369,680 5.197,681 0.67,682 314.8,683 3.219,684 4.727,685 5.565,686 6.431,687 7.299,688 8.181,689 9.062,690 9.951,691 10.84,692 11.733,693 10.8,701 1,703 3,709 8,710 3,714 5,715 1,716 17,734 1,735 37,737 17,738 1,739 24,741 39,742 16,743 13,744 2,745 4,748 3,749 3,750 1,762 13,763 3,779 1,780 1,783 15,784 4,786 6,787 1,792 4,797 1,798 1,807 1,810 1,815 1,816 2,842 1,843 3,847 1,848 1,851 22,858 2,861 1,873 1,874 2.7,878 1,881 11,882 7.026,883 5,884 2.063,886 3.012,887 1.446,888 0.979,889 4.589,890 9.757,891 3.512,892 4.099,893 4.699,894 5.316,895 5.85,896 6.136,897 6.552,898 6.951,899 7.272,900 7.415,901 0.833,902 31,903 8.043,905 3.282,906 7.679,907 15.337,909 12.054,911 2.179,912 47.944,916 176.567,917 107.061,918 52.011,919 39.149,920 11,923 107.061,924 226.715,925 52.011,926 10.883,927 6.698,928 56.429,929 84.776,930 34.828,931 11.771,932 141.253,933 39.149,934 176.567,935 159.072,936 11,937 39.149,939 176.567,941 11,943 31.654,944 77.183,945 89.383,947 176.567,948 63.011,949 146.21,952 176.567,953 22.083,954 86.754,956 100.383,957 176.567,958 63.011,959 146.21,961 0.56,962 0.321,963 0.18,964 0.111,965 15,966 6,967 0.128,968 5,970 1,971 3.446,972 171.049,974 17,975 94.107,981 14.855,982 6.797,983 3.416,985 61.234,986 14.728,987 12.947,991 4.358,992 1.866,994 385.787,995 32.5,1007 37.36,1008 41.638,1009 0.322,1010 0.682,1011 0.874,1012 0.913,1013 0.913,1014 0.913,1015 4.703,1016 1,1017 5.517,1018 2.5,1019 4.174,1020 4.783,1021 0.908,1022 6.301,1023 4.06,1024 5.893,1025 1,1026 7.048,1027 2.275,1028 3.611,1029 4.407,1031 7.154,1032 3.436,1033 7.18,1034 0.799,1035 8.686,1036 2.201,1037 5.72,1038 6.963,1039 0.739,1040 10.292,1041 5.539,1042 8.51,1043 0.225,1044 10.389,1045 2.136,1046 6.043,1047 7.469,1049 12.058,1050 5.835,1051 9.875,1052 -0.194,1053 12.139,1054 0.357,1055 7.575,1056 9.429,1057 0.593,1058 14.701,1059 7.354,1060 11.266,1061 -0.637,1062 13.92,1063 -0.433,1064 8.323,1065 10.368,1067 16.839,1068 8.09,1069 12.678,1070 -0.88,1071 15.726,1072 -1.444,1073 9.616,1074 12.056,1075 0.469,1076 19.321,1077 9.367,1078 3.174,1079 -1,1080 17.551,1081 -1.782,1082 10.574,1083 13.227,1085 21.613,1086 10.315,1087 2.578,1088 10.997,1089 19.39,1090 -2.347,1091 11.771,1092 14.783,1093 0.366,1094 24.039,1095 11.494,1096 2.381,1097 7.837,1098 21.241,1099 4.255,1100 12.83,1101 16.08,1103 26.393,1104 12.54,1105 2.159,1106 6.847,1107 23.101,1108 3.58,1109 13.992,1110 17.573,1111 0.283,1112 28.8,1113 13.683,1114 1.704,1115 5.976,1116 24.969,1117 3.287,1118 15.099,1119 18.937,1121 31.18,1122 14.774,1123 1.414,1124 4.356,1125 26.844,1126 2.783,1127 16.25,1128 20.402,1129 0.217,1130 33.58,1131 15.905,1132 1.146,1133 3.073,1134 28.723,1135 2.34,1136 17.381,1137 21.803,1139 35.97,1140 17.017,1141 4570,1142 8260,1143 16.296,1144 25.904,1145 35.384,1146 35.886,1147 36.265,1148 35.336,1149 35.161,1150 47.597,1151 1.72,1152 97.111,1153 32.864,1154 5.331,1155 5.193,1156 6.587,1157 5.222,1158 5.174,1159 7.255,1160 1.72,1161 18.143,1162 5.102,1163 8.592,1164 1.474,1165 1.495,1166 1.511,1167 1.472,1168 1.465,1169 1.983,1170 0.072,1171 4.046,1172 1.369,1173 4.057,1174 4.1,1175 4.062,1176 3.952,1177 5.07,1178 3.961,1179 3.819,1180 3.853,1181 3.892,1182 3.723,1183 4.944,1184 3.728,1185 3.701,1186 3.765,1187 3.653,1188 3.489,1189 4.814,1190 3.515,1191 3.436,1192 3.485,1193 3.362,1194 3.212,1195 4.604,1196 3.221,1197 3.067,1198 3.157,1199 3.198,1200 2.852,1201 4.251,1202 2.841,1203 2.854,1204 2.925,1205 2.814,1206 2.735,1207 3.926,1208 2.715,1209 2.827,1210 2.867,1211 2.687,1212 2.734,1213 3.745,1214 2.713,1215 2.779,1216 2.855,1217 2.632,1218 2.591,1219 3.674,1220 2.592,1221 0.189,1222 0.133,1223 0.28,1224 0.173,1225 0.132,1226 4.536,1227 0.177,1228 3.193,1229 0.036,1230 6.725,1231 0.458,1232 4.151,1233 0.129,1234 3.174,1235 4.255,1236 0.86,1237 10.997,1238 3.102,1239 1.917,1240 1.897,1241 1.993,1242 1.993,1243 1.116,1244 1.997,1245 1.77,1246 1.729,1247 1.873,1248 1.934,1249 1.072,1250 1.92,1251 1.591,1252 1.524,1253 1.805,1254 1.854,1255 0.871,1256 1.842,1257 1.285,1258 1.249,1259 1.554,1260 1.552,1261 0.574,1262 1.548,1263 1.192,1264 1.117,1265 1.382,1266 1.385,1267 0.481,1268 1.384,1269 0.928,1270 0.842,1271 1.181,1272 1.193,1273 0.261,1274 1.214,1275 0.886,1276 0.821,1277 1.162,1278 1.062,1279 0.218,1280 1.107,1281 0.763,1282 0.684,1283 1.052,1284 0.997,1285 0.028,1286 1.023,1287 3.892,1289 5.176,1290 2.398,1291 6.661,1292 4.727,1293 8.237,1294 6.843,1295 9.864,1297 1.676,1298 5.967,1303 1.285,1306 5.118,1314 24.789,1315 62.146,1316 131.489,1317 168.385,1318 175.995,1319 175.995,1320 175.995,1321 26.337,1322 6.745,1323 52.83,1324 52.83,1325 17,1326 12.261,1327 4.17,1328 3.248,1329 34.158,1330 65,1331 80,1332 0.255,1333 158.155,1334 262.46,1335 377.658,1336 6358,1337 2.7,1338 15.364,1339 0.698,1340 0.585,1341 15.864,1342 12.864,1343 10.775,1344 0.449,1345 0.302,1346 6.773,1347 9.996,1348 6.571,1349 5.457,1350 11.064,1351 7.242,1352 9.225,1353 0.288,1354 0.162,1355 9.634,1356 5.185,1357 7.648,1358 0.182,1359 0.084,1360 7.937,1361 3.514,1362 6.305,1363 0.113,1364 0.041,1365 6.471,1366 2.305,1367 5.345,1368 0.074,1369 0.023,1370 5.56,1371 1.635,1372 0.386,1373 71.008,1374 0.248,1375 21.461,1376 0.747,1377 112,1378 350.519,1379 137.033,1380 368.639,1381 495.13,1382 346,1383 130,1384 338.982,1385 150.245,1386 355.82,1387 513.73,1388 332,1389 5.1}
{0 CHEMBL1982874,1 1.623,2 10,3 5.392,4 29.077,5 113.348,6 8.586,7 0.735,8 4,9 4.111,10 3.745,11 3.639,12 5.115,13 3.61,14 4.505,15 4.654,16 4.132,17 4.023,18 5.611,19 3.98,20 4.691,21 4.888,22 4.105,23 4.087,24 5.759,25 4.029,26 4.72,27 4.925,28 4.08,29 4.112,30 5.754,31 4.049,32 4.737,33 4.922,34 4.184,35 4.202,36 5.759,37 4.117,38 4.824,39 5.025,40 4.125,41 4.223,42 5.836,43 4.094,44 4.755,45 4.985,46 4.036,47 4.076,48 5.729,49 3.96,50 4.598,51 4.82,52 3.965,53 3.884,54 5.685,55 3.797,56 0.04,57 0.813,58 7.852,59 4.051,60 7.961,61 4.678,62 0.195,63 1.354,64 16.535,65 7.03,66 16.999,67 8.426,68 0.236,69 1.561,70 22.153,71 8.852,72 30.944,73 10.631,74 0.302,75 1.574,76 21.72,77 8.428,78 35.014,79 10.222,80 0.214,81 1.576,82 21.297,83 9.181,84 23.84,85 11.26,86 0.332,87 1.732,88 28.712,89 11.404,90 37.499,91 13.535,92 0.311,93 1.6,94 29.083,95 11.091,96 27.477,97 13.949,98 0.255,99 1.452,100 22.941,101 8.531,102 28.599,103 10.256,104 5,105 51,106 0.27,107 0.656,108 0.781,109 0.836,110 0.846,111 0.846,112 3.409,113 0.929,114 -5.71,115 -5.58,116 -5.2,119 46.8,121 2,122 1,125 1,142 7,143 2,144 1,146 2,151 2,152 2,162 2,163 1,164 1,165 1,172 10,174 2,175 7,177 2,178 2,183 6,188 12,196 4,200 10,205 3,208 7,210 3,212 1,213 5,218 4,221 15,223 4,224 2,225 1,233 14,237 1,238 5,240 1,241 1,246 4,250 8,252 1,253 1,255 1,258 1,260 1,264 4,269 3,272 5,274 3,276 1329,277 20.049,278 20.049,279 20.049,280 20.049,281 20.049,282 17.189,283 7.489,284 11.451,285 20.659,286 16.818,287 16.818,288 16.818,289 16.818,290 16.818,291 12.454,292 4.198,293 5.48,294 17.886,295 3.931,296 1.613,297 0.86,298 0.527,299 0.468,300 0.468,301 4.124,305 1,306 1,307 667,308 2.646,309 43.405,311 179.367,312 137.924,314 98.987,315 100.458,319 1.379,320 23.035,323 0.75,324 0.83,325 1,326 0.6,327 0.5,328 1,329 1,330 0.81,331 62,332 290,333 4.755,334 3.35,335 7.025,336 4.288,337 3.34,338 4.711,340 12.075,341 3.18,342 4.605,343 3.228,344 6.731,345 4.111,346 3.175,347 4.548,349 10.98,350 2.98,351 4.062,352 2.907,353 5.998,354 3.641,355 2.65,356 3.698,358 8.453,359 2.63,360 3.86,361 2.655,362 5.754,363 3.594,364 2.636,365 3.364,367 7.833,368 2.524,369 3.671,370 2.503,371 5.569,372 3.352,373 2.419,374 3.007,376 7.436,377 2.233,378 3.568,379 2.413,380 5.326,381 3.15,382 2.213,383 2.813,385 6.37,386 2.048,387 3.371,388 2.058,389 5.04,390 2.939,391 1.994,392 2.565,394 6.023,395 1.876,396 3.101,397 1.737,398 4.777,399 2.599,400 1.666,401 2.359,403 4.993,404 1.552,405 2.903,406 1.475,407 4.58,408 2.349,409 1.414,410 2.098,412 4.239,413 1.314,414 2.872,415 1.403,416 4.406,417 2.292,418 1.39,419 2.047,421 3.965,422 1.235,423 2.5,424 1.007,425 3.66,426 2,427 1,428 1.5,430 2.379,431 1,432 2.438,433 1,434 3.443,435 1.87,436 0.954,437 1.409,439 2.275,440 0.871,441 2.25,442 0.985,443 3.414,444 1.842,445 0.906,446 1.168,448 2.253,449 0.829,450 1.739,451 0.432,452 3.309,453 1.283,454 0.362,455 0.472,457 0.974,458 0.328,459 1.404,460 0.282,461 3.03,462 1.057,463 0.127,464 0.161,466 0.346,467 0.117,468 14.119,469 0.487,470 0.76,471 0.026,472 40.5,473 1.397,474 20.5,475 0.707,476 20,477 0.69,478 23.395,479 0.807,480 29.081,481 0.619,482 28.746,483 0.991,484 7.441,485 0.257,486 6.729,487 0.232,488 0.049,490 0.411,494 1,496 0.719,497 1.045,498 0.669,499 0.828,500 0.628,501 0.782,502 0.632,503 1.016,504 0.808,505 1.007,506 0.488,507 0.917,508 1.044,509 1.034,510 0.82,511 0.85,512 0.869,513 0.858,514 1.08,515 0.848,516 0.835,517 0.725,518 0.866,519 0.853,520 0.667,521 0.838,522 0.852,523 0.868,524 0.526,525 0.953,526 0.64,527 0.865,528 1.239,529 1.176,530 0.591,531 1.168,532 0.554,533 0.911,534 0.935,535 1.052,536 0.594,537 0.971,538 0.959,539 1.16,540 0.847,541 1.039,542 0.867,543 0.998,544 5.5,545 0.102,546 3.611,547 2.299,548 1.676,549 1.015,550 0.535,551 0.636,552 0.366,553 0.201,554 11040,555 29027,556 2.255,557 38.3,558 4,559 9,560 2,562 2,564 1,567 1.726,568 2.148,569 3.287,570 0.228,577 76.29,578 1.623,579 3.941,580 4.695,581 5.028,582 5.087,583 5.087,584 2.715,585 4.651,586 4.828,587 3.423,588 1389.94,589 8.447,590 17983.5,595 261.066,596 1.285,597 4.807,598 0.162,599 0.006,600 0.075,601 0.048,602 0.036,603 0.02,604 0.012,605 0.016,606 0.01,607 0.007,608 0.392,609 0.17,610 0.75,611 0.434,612 144.095,613 -0.06,614 -0.085,615 0.06,616 0.037,617 -0.063,618 0.047,619 0.131,620 -0.055,621 0.045,622 -0.092,623 0.104,624 -0.042,625 -0.103,626 -0.06,627 0.033,628 0.049,629 -0.001,630 0.074,631 -0.199,632 0.097,633 -0.049,634 0.117,635 -0.108,636 0.055,637 -0.061,638 0.019,639 -0.008,640 0.036,641 -0.046,642 -0.025,643 0.032,644 0.013,645 -0.176,646 -0.134,647 -0.016,648 -0.18,649 0.196,650 -0.045,651 0.126,652 -0.011,653 0.08,654 0.075,655 0.047,656 -0.19,657 0.15,658 -0.068,659 0.103,660 -0.016,661 1.919,662 5.456,663 0.897,664 24.568,665 1.006,666 1.12,667 4.481,668 20.082,669 0.722,670 3.555,671 3.951,672 4.277,673 4.635,674 4.905,675 5.094,676 5.313,677 5.513,678 5.652,679 5.762,680 5.952,681 0.689,682 403.52,683 3.555,684 5.142,685 6.043,686 6.965,687 7.884,688 8.812,689 9.739,690 10.67,691 11.6,692 12.533,693 10.6,697 1,701 2,703 2,708 3,709 9,710 2,713 1,714 6,715 1,716 25,727 1,734 1,735 47,737 25,738 2,739 34,741 52,742 22,743 18,744 5,745 7,748 6,749 8,757 2,758 1,760 2,762 18,763 4,764 1,781 1,783 18,784 4,785 2,786 7,787 1,789 2,792 5,797 0.667,813 1,815 3,816 2,818 1,819 1,843 4,845 1,849 1,851 29,852 1,858 3,863 1,868 1,873 1,881 13.5,882 8.526,883 6.056,884 2.894,886 4.938,887 1.588,888 1.106,889 3.867,890 13.333,891 3.861,892 4.582,893 5.281,894 5.998,895 6.575,896 7.076,897 7.648,898 8.165,899 8.633,900 9.078,901 0.857,902 48,903 10.733,905 4.829,906 7.661,907 20.812,909 18.382,911 2.161,912 62.667,916 188.338,917 148.676,918 69.654,921 14.96,922 31.278,923 117.398,924 188.338,925 84.614,927 7.175,928 115.927,929 33.571,930 25.478,931 43.403,932 196.073,934 188.338,935 187.052,936 14.96,937 31.278,939 191.527,940 11.771,943 17.16,944 136.32,945 33.571,946 31.278,947 203.298,948 69.654,949 148.676,952 188.338,953 65.645,954 86.216,956 81.428,957 188.338,958 84.614,959 148.676,961 0.598,962 0.344,963 0.195,964 0.11,965 30,966 12,967 0.077,968 4,969 2,970 1.154,971 4.098,972 287.443,973 0.154,974 26,975 134.881,977 1,981 17.313,982 6.477,983 2.985,984 2.855,985 81.428,986 16.772,987 9.365,990 1.583,991 4.085,992 2.125,993 32.897,994 421.627,995 46.5,1007 47.283,1008 52.658,1009 0.292,1010 0.71,1011 0.845,1012 0.905,1013 0.916,1014 0.916,1015 5.125,1016 1.666,1017 6.052,1018 6.023,1019 4.635,1020 5.27,1022 6.936,1023 4.523,1024 6.384,1025 1.414,1026 7.653,1027 4.993,1028 4.369,1029 5.239,1031 7.98,1032 4.21,1033 7.731,1034 1.39,1035 9.353,1036 4.239,1037 6.312,1038 7.621,1040 11.111,1041 6.106,1042 9.116,1043 1,1044 11.11,1045 3.965,1046 6.847,1047 8.44,1049 12.995,1050 6.584,1051 10.533,1052 0.954,1053 12.905,1054 2.379,1055 8.292,1056 10.299,1058 15.669,1059 7.991,1060 11.975,1061 0.906,1062 14.727,1063 2.275,1064 9.182,1065 11.512,1067 17.901,1068 8.819,1069 13.437,1070 0.362,1071 16.57,1072 2.253,1073 10.447,1074 13.168,1076 20.43,1077 10.044,1078 3.34,1079 0.127,1080 18.429,1081 0.974,1082 11.498,1083 14.561,1085 22.804,1086 11.033,1087 3.175,1088 12.075,1089 20.301,1090 0.346,1091 12.701,1092 16.139,1094 25.289,1095 12.191,1096 2.65,1097 10.98,1098 22.183,1099 4.711,1100 13.824,1101 17.611,1103 27.72,1104 13.254,1105 2.636,1106 8.453,1107 24.075,1108 4.548,1109 15.008,1110 19.16,1112 30.193,1113 14.39,1114 2.419,1115 7.833,1116 25.974,1117 3.698,1118 16.165,1119 20.668,1121 32.649,1122 15.489,1123 2.213,1124 7.436,1125 27.879,1126 3.364,1127 17.347,1128 22.207,1130 35.12,1131 16.62,1132 1.994,1133 6.37,1134 29.789,1135 3.007,1136 18.52,1137 23.73,1139 37.587,1140 17.738,1141 9917,1142 16261,1143 23.581,1144 33.944,1145 53.169,1146 52.946,1147 54.122,1148 52.498,1149 52.493,1150 71.838,1152 161.186,1153 49.436,1154 5.674,1155 5.35,1156 6.513,1157 5.432,1158 5.34,1159 7.711,1161 19.428,1162 5.18,1163 10.018,1164 1.564,1165 1.557,1166 1.592,1167 1.544,1168 1.544,1169 2.113,1171 4.741,1172 1.454,1173 4.202,1174 4.239,1175 4.362,1176 4.107,1177 8.201,1178 4.106,1179 4.053,1180 4.097,1181 4.088,1182 3.938,1183 5.219,1184 3.937,1185 3.86,1186 3.904,1187 3.848,1188 3.788,1189 5.033,1190 3.774,1191 3.836,1192 3.87,1193 3.735,1194 3.76,1195 4.713,1196 3.739,1197 3.424,1198 3.48,1199 3.465,1200 3.302,1201 4.592,1202 3.295,1203 3.159,1204 3.199,1205 3.187,1206 3.053,1207 4.287,1208 3.047,1209 2.958,1210 3.055,1211 2.863,1212 2.788,1213 4.11,1214 2.791,1215 2.854,1216 2.925,1217 2.775,1218 2.735,1219 4.025,1220 2.715,1221 0.14,1222 0.099,1223 0.207,1224 0.126,1225 0.098,1226 4.755,1227 0.139,1228 3.35,1230 7.025,1231 0.355,1232 4.288,1233 0.094,1234 3.34,1235 4.711,1237 12.075,1238 3.18,1239 1.973,1240 1.95,1241 2.043,1242 2.061,1243 1.233,1244 2.056,1245 1.873,1246 1.849,1247 1.968,1248 1.965,1249 1.104,1250 1.967,1251 1.586,1252 1.521,1253 1.752,1254 1.822,1255 1.023,1256 1.799,1257 1.507,1258 1.454,1259 1.612,1260 1.718,1261 0.825,1262 1.688,1263 1.361,1264 1.364,1265 1.513,1266 1.457,1267 0.735,1268 1.466,1269 1.205,1270 1.157,1271 1.403,1272 1.421,1273 0.543,1274 1.445,1275 1.153,1276 1.072,1277 1.259,1278 1.376,1279 0.463,1280 1.429,1281 1.129,1282 1.064,1283 1.181,1284 1.236,1285 0.363,1286 1.271,1287 4.234,1288 1.946,1289 5.609,1290 4.263,1291 7.169,1292 6.354,1293 8.815,1294 8.343,1295 10.511,1299 13.456,1301 6.208,1303 3.425,1308 0.701,1314 32.365,1315 76.29,1316 185.233,1317 220.659,1318 236.311,1319 239.066,1320 239.066,1321 37.549,1322 8.395,1323 61.14,1324 89.38,1325 30,1326 13.034,1327 4.7,1328 3.755,1329 35.781,1330 101,1331 114,1332 0.171,1333 194.468,1334 313.68,1335 466.262,1336 53276,1337 2.1,1338 19.535,1339 0.674,1340 0.564,1341 19.018,1342 16.364,1343 14.17,1344 0.417,1345 0.31,1346 9.611,1347 13.256,1348 9.374,1349 7.681,1350 14.23,1351 10.528,1352 13.405,1353 0.263,1354 0.166,1355 13.366,1356 8.472,1357 11.55,1358 0.163,1359 0.085,1360 11.763,1361 6.037,1362 10.18,1363 0.1,1364 0.044,1365 10.736,1366 4.506,1367 8.586,1368 0.064,1369 0.024,1370 8.971,1371 3.181,1372 0.26,1373 92.606,1374 0.206,1375 26.93,1376 0.494,1377 170,1378 476.864,1379 208.077,1380 467.588,1381 659.03,1382 440,1383 210,1384 496.607,1385 244.106,1386 512.193,1387 765.55,1388 485,1389 5.1}
{0 CHEMBL1982880,1 1.617,2 10.154,3 3.941,4 15.531,5 100.01,6 8.079,7 0.759,8 3.898,9 4.009,10 3.546,11 3.411,12 5.09,13 3.425,14 4.369,15 4.518,16 3.874,17 3.747,18 5.502,19 3.756,20 4.501,21 4.673,22 3.926,23 3.826,24 5.635,25 3.819,26 4.552,27 4.745,28 3.844,29 3.807,30 5.631,31 3.783,32 4.573,33 4.796,34 3.801,35 3.79,36 5.636,37 3.745,38 4.514,39 4.733,40 3.734,41 3.743,42 5.555,43 3.699,44 4.436,45 4.628,46 3.615,47 3.666,48 5.481,49 3.622,50 4.386,51 4.609,52 3.493,53 3.597,54 5.393,55 3.521,56 0.094,57 0.673,58 7.569,59 3.561,60 8.015,61 4.247,62 0.28,63 1.017,64 14.484,65 5.615,66 18.954,67 6.743,68 0.33,69 1.169,70 16.792,71 6.121,72 23.917,73 7.769,74 0.345,75 1.198,76 18.636,77 6.169,78 25.494,79 8.041,80 0.474,81 1.203,82 20.335,83 6.544,84 33.308,85 9.01,86 0.369,87 1.1,88 19.17,89 6.394,90 27.799,91 8.662,92 0.395,93 0.986,94 17.49,95 5.957,96 28.119,97 7.346,98 0.326,99 0.943,100 16.944,101 5.919,102 24.862,103 8.034,104 9,105 40,106 0.277,107 0.572,108 0.685,109 0.81,110 0.837,111 0.86,112 3.305,113 0.833,114 -5.43,115 -5.31,116 -4.96,119 44.2,124 2,142 10,143 1,144 3,147 1,161 2,166 2,172 8,174 2,175 8,178 1,180 2,183 7,187 2,188 13,191 2,193 2,196 4,200 10,203 1,205 1,208 2,212 2,213 9,216 2,218 1,221 5,224 2,225 6,230 2,233 6,237 1,238 4,243 2,246 5,249 2,250 3,255 1,258 4,263 2,264 5,272 5,276 966,277 18.187,278 18.187,279 18.187,280 18.187,281 18.187,282 15.646,283 16.345,284 10.74,285 18.763,286 14.218,287 14.218,288 14.218,289 14.218,290 14.218,291 10.331,292 25.92,293 4.955,294 14.98,295 3.809,296 2.092,297 1.43,298 0.704,299 0.547,300 0.407,301 4.006,304 1,305 1,306 1,307 576,308 2.646,311 56.399,312 221.949,315 99.33,319 1.473,320 17.028,322 1,323 0.75,324 1,325 1,326 0.6,328 1,329 1,330 0.76,331 56.5,332 264,333 4.611,334 3.209,335 6.718,336 4.118,337 3.172,338 4.555,339 0.86,340 10.945,341 3.001,342 4.28,343 3.133,344 6.198,345 3.875,346 2.922,347 3.921,348 0.86,349 9.286,350 2.782,351 3.948,352 2.698,353 5.763,354 3.512,355 2.538,356 3.533,357 0.4,358 7.84,359 2.469,360 3.637,361 2.583,362 5.267,363 3.216,364 2.282,365 3.051,367 6.695,368 2.127,369 3.501,370 2.334,371 5.199,372 3.085,373 2.156,374 2.822,376 6.392,377 1.991,378 3.22,379 1.775,380 4.635,381 2.715,382 1.743,383 2.557,385 4.65,386 1.692,387 2.873,388 1.716,389 4.32,390 2.443,391 1.489,392 2.019,394 4.035,395 1.416,396 2.808,397 1.338,398 4.032,399 2.317,400 1.332,401 1.949,403 3.329,404 1.31,405 2.562,406 1.235,407 3.502,408 2.039,409 1.071,410 1.592,412 2.595,413 1.034,414 2.5,415 1.078,416 3.247,417 2,418 1,419 1.5,421 2.136,422 1,423 2.069,424 1,425 3.233,426 1.656,427 0.777,428 0.907,430 1.519,431 0.675,432 1.935,433 0.915,434 3.096,435 1.546,436 0.591,437 0.83,439 1.322,440 0.563,441 1.49,442 0.62,443 2.89,444 1.214,445 0.352,446 0.391,448 0.511,449 0.301,450 1.256,451 0.246,452 2.587,453 0.929,459 0.87,460 -0.127,461 2.366,462 0.474,463 -0.477,464 -0.596,466 -0.96,467 -0.444,468 12.167,469 0.468,470 0.478,471 0.018,472 38.75,473 1.49,474 21.5,475 0.827,476 17.25,477 0.663,478 16.526,479 0.636,480 26.833,481 0.624,482 27.985,483 1.076,484 8.064,485 0.31,486 4.715,487 0.181,488 0.082,490 0.321,496 0.82,497 1.184,498 0.694,499 1.066,500 0.806,501 0.896,502 1.242,503 1.117,504 0.811,505 0.91,506 1.046,507 0.821,508 1.029,509 1.163,510 0.91,511 1.012,512 0.906,513 0.952,514 1.202,515 1.27,516 1.071,517 1.043,518 1.138,519 1.025,520 0.837,521 0.982,522 0.967,523 0.899,524 0.91,525 0.928,526 0.967,527 0.967,528 0.958,529 0.918,530 0.929,531 0.919,532 1.522,533 0.988,534 1.213,535 0.961,536 1.457,537 1.027,538 0.89,539 0.964,540 1.08,541 1.049,542 0.978,543 1.081,544 4.5,545 0.086,546 2.667,547 1.507,548 1.343,549 0.705,550 0.449,551 0.326,552 0.257,553 0.16,554 7994,555 22022,556 2.148,557 39.5,559 16,562 1,567 1.693,568 2.053,569 3.336,570 -0.294,572 1,577 69.522,578 1.617,579 3.334,580 3.996,581 4.722,582 4.88,583 5.019,584 2.716,585 4.316,586 4.674,587 3.463,588 1125.5,589 8.108,590 13929.3,592 1,594 1,595 233.329,596 1.239,597 4.65,598 0.155,599 0.005,600 0.067,601 0.037,602 0.036,603 0.02,604 0.014,605 0.011,606 0.01,607 0.007,608 0.363,609 0.17,610 0.88,611 0.75,612 126.499,613 0.055,614 -0.052,615 0.077,616 -0.093,617 -0.028,618 -0.024,619 -0.076,620 -0.061,621 0.078,622 0.051,623 -0.057,624 0.071,625 0.004,626 -0.084,627 -0.01,628 -0.079,629 0.06,630 -0.059,631 -0.163,632 -0.212,633 -0.134,634 -0.12,635 -0.153,636 -0.121,637 0.105,638 0.054,639 0.011,640 0.03,641 0.078,642 0.014,643 -0.003,644 0.039,645 0.021,646 0.034,647 0.054,648 0.041,649 -0.258,650 -0.006,651 -0.234,653 -0.341,654 -0.096,655 0.022,656 0.013,657 -0.098,658 -0.077,659 -0.038,660 -0.098,661 1.027,662 1.905,663 0.808,664 21.781,665 1.011,666 1.126,667 4.203,668 17.665,669 0.686,670 3.401,671 3.714,672 4.025,673 4.304,674 4.543,675 4.625,676 4.745,677 4.883,678 4.977,679 5.081,680 6.06,681 0.667,682 347.41,683 3.401,684 4.934,685 5.796,686 6.676,687 7.555,688 8.443,689 9.329,690 10.221,691 11.11,692 12.004,693 11.6,701 2,703 3,708 1,709 10,710 3,714 6,716 22,728 1,733 2,735 43,737 22,738 2,739 29,741 46,742 19,743 17,744 4,745 8,748 4,749 5,762 17,763 2,780 1,783 17,784 6,785 1,786 7,792 5,797 0.75,798 2,808 1,815 1,816 3,819 1,843 3,847 2,851 26,860 1,861 2,871 1,874 4.7,879 2,881 12.667,882 8.467,883 5.861,884 2.33,886 4.165,887 1.547,888 1.006,889 4.522,890 11.786,891 3.714,892 4.36,893 5.015,894 5.651,895 6.223,896 6.551,897 7.007,898 7.489,899 7.829,900 8.255,901 0.857,902 41,903 9.501,905 3.951,906 7.66,907 18.048,909 14.324,911 2.16,912 56.167,915 1,916 188.338,917 139.329,918 69.164,920 22,923 139.329,924 210.337,925 69.164,926 21.766,928 94.762,929 54.032,930 57.604,931 2.328,932 188.338,934 188.338,935 208.493,936 22,939 188.338,940 22,943 23.218,944 135.286,945 49.989,947 188.338,948 91.164,949 139.329,952 188.338,953 22.8,954 117.693,955 18.011,956 71.989,957 188.338,958 91.164,959 139.329,961 0.571,962 0.348,963 0.194,964 0.107,965 20,966 8,967 0.109,968 5,969 1,970 1.095,971 3.822,972 223.676,973 0.095,974 21,975 116.211,981 16.517,982 7.119,983 3.28,984 0.673,985 90,986 19.073,987 13.057,991 4.447,993 18.011,994 418.83,995 40,1007 43.465,1008 48.402,1009 0.298,1010 0.615,1011 0.736,1012 0.87,1013 0.899,1014 0.925,1015 4.924,1016 1.332,1017 5.765,1018 4.035,1019 4.394,1020 5.047,1021 1.454,1022 6.578,1023 4.297,1024 6.138,1025 1.071,1026 7.319,1027 3.329,1028 3.892,1029 4.808,1031 7.476,1032 3.724,1033 7.449,1034 1,1035 8.973,1036 2.595,1037 5.984,1038 7.318,1039 1.175,1040 10.585,1041 5.79,1042 8.801,1043 0.777,1044 10.689,1045 2.136,1046 6.347,1047 7.955,1049 12.336,1050 6.069,1051 10.186,1052 0.591,1053 12.443,1054 1.519,1055 7.861,1056 9.887,1057 0.966,1058 14.951,1059 7.566,1060 11.596,1061 0.352,1062 14.226,1063 1.322,1064 8.628,1065 10.951,1067 17.055,1068 8.25,1069 13.024,1071 16.028,1072 0.511,1073 9.908,1074 12.635,1075 0.788,1076 19.508,1077 9.505,1078 3.172,1079 -0.477,1080 17.846,1082 10.868,1083 13.918,1085 21.765,1086 10.389,1087 2.922,1088 10.945,1089 19.676,1090 -0.96,1091 12.053,1092 15.494,1093 0.634,1094 24.164,1095 11.538,1096 2.538,1097 9.286,1098 21.516,1099 4.555,1100 13.105,1101 16.888,1103 26.489,1104 12.521,1105 2.282,1106 7.84,1107 23.364,1108 3.921,1109 14.254,1110 18.418,1111 0.504,1112 28.872,1113 13.626,1114 2.156,1115 6.695,1116 25.219,1117 3.533,1118 15.349,1119 19.869,1121 31.228,1122 14.657,1123 1.743,1124 6.392,1125 27.08,1126 3.051,1127 16.487,1128 21.381,1129 0.395,1130 33.609,1131 15.745,1132 1.489,1133 4.65,1134 28.945,1135 2.822,1136 17.604,1137 22.86,1139 35.98,1140 16.801,1141 7589,1142 12749,1143 19.879,1144 29.506,1145 43.006,1146 43.665,1147 44.475,1148 42.815,1149 42.851,1150 59.253,1151 4.24,1152 122.509,1153 40.72,1154 5.389,1155 5.209,1156 6.52,1157 5.174,1158 5.172,1159 7.555,1160 1.72,1161 18.073,1162 5.001,1163 9.498,1164 1.483,1165 1.506,1166 1.534,1167 1.476,1168 1.478,1169 2.043,1170 0.146,1171 4.224,1172 1.404,1173 4.116,1174 4.174,1175 4.097,1176 3.946,1177 5.22,1178 3.971,1179 3.913,1180 3.934,1181 3.869,1182 3.821,1183 4.925,1184 3.828,1185 3.815,1186 3.851,1187 3.748,1188 3.711,1189 4.72,1190 3.721,1191 3.353,1192 3.41,1193 3.287,1194 3.145,1195 4.607,1196 3.172,1197 3.301,1198 3.356,1199 3.166,1200 3.022,1201 4.52,1202 3.046,1203 3.147,1204 3.235,1205 2.921,1206 2.873,1207 4.15,1208 2.868,1209 2.984,1210 3.054,1211 2.859,1212 2.826,1213 3.923,1214 2.825,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.813,1220 2.715,1221 0.159,1222 0.111,1223 0.232,1224 0.142,1225 0.109,1226 4.611,1227 0.157,1228 3.209,1229 0.03,1230 6.718,1231 0.377,1232 4.118,1233 0.103,1234 3.172,1235 4.555,1236 0.86,1237 10.945,1238 3.001,1239 1.934,1240 1.902,1241 2.029,1242 2.09,1243 1.111,1244 2.062,1245 1.88,1246 1.859,1247 1.975,1248 1.986,1249 1.069,1250 1.986,1251 1.767,1252 1.727,1253 1.858,1254 1.914,1255 0.916,1256 1.905,1257 1.24,1258 1.181,1259 1.592,1260 1.569,1261 0.586,1262 1.572,1263 1.192,1264 1.134,1265 1.539,1266 1.452,1267 0.558,1268 1.481,1269 1.138,1270 1.046,1271 1.288,1272 1.445,1273 0.375,1274 1.396,1275 1.043,1276 0.973,1277 1.222,1278 1.288,1279 0.255,1280 1.275,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.078,1289 5.389,1290 2.398,1291 6.909,1292 4.727,1293 8.519,1294 6.843,1295 10.177,1297 3.246,1305 3.266,1306 10.691,1314 28.697,1315 69.522,1316 143.381,1317 171.845,1318 203.065,1319 209.82,1320 215.82,1321 29.486,1322 7.62,1323 73.57,1324 73.57,1325 23,1326 12.531,1327 4.524,1328 3.585,1329 37.962,1330 95,1331 88,1332 0.197,1333 176.141,1334 290.4,1335 421.545,1336 21409,1338 17.933,1339 0.69,1340 0.553,1341 17.933,1342 14.379,1343 12.78,1344 0.441,1345 0.278,1346 7.888,1347 12.135,1348 7.682,1349 6.433,1350 12.78,1351 8.052,1352 10.994,1353 0.275,1354 0.139,1355 10.994,1356 5.569,1357 9.819,1358 0.179,1359 0.072,1360 9.819,1361 3.964,1362 8.273,1363 0.113,1364 0.037,1365 8.273,1366 2.673,1367 6.768,1368 0.073,1369 0.019,1370 6.768,1371 1.754,1372 0.306,1373 81.17,1374 0.224,1375 24.919,1376 0.549,1377 138,1378 432.384,1379 154.22,1380 414.942,1381 582.67,1382 392,1383 164,1384 449.677,1385 182.192,1386 453.144,1387 659.5,1388 424,1389 5.3}
{0 CHEMBL1982924,1 1.508,2 10.808,3 3.319,4 11.016,5 99.795,6 7.986,7 0.759,8 3.876,9 3.982,10 3.51,11 3.475,12 5.059,13 3.467,14 4.345,15 4.479,16 3.846,17 3.845,18 5.508,19 3.82,20 4.537,21 4.705,22 3.879,23 3.932,24 5.672,25 3.884,26 4.569,27 4.759,28 3.802,29 3.881,30 5.703,31 3.824,32 4.559,33 4.765,34 3.764,35 3.818,36 5.742,37 3.752,38 4.452,39 4.661,40 3.629,41 3.734,42 5.543,43 3.666,44 4.399,45 4.625,46 3.536,47 3.613,48 5.529,49 3.552,50 4.219,51 4.422,52 3.404,53 3.501,54 5.331,55 3.437,56 0.029,57 0.599,58 7.426,59 3.604,60 6.385,61 4.321,62 0.178,63 0.942,64 13.393,65 5.963,66 18.11,67 7.212,68 0.158,69 1.13,70 17.481,71 7.465,72 24.05,73 9.297,74 0.185,75 1.155,76 19.182,77 7.596,78 31.732,79 9.539,80 0.414,81 1.129,82 20.231,83 7.71,84 49.598,85 10.028,86 0.175,87 1.046,88 17.554,89 6.668,90 26.243,91 8.626,92 0.277,93 0.974,94 17.841,95 6.217,96 38.576,97 8.018,98 0.221,99 0.783,100 14.376,101 5.511,102 28.56,103 6.95,104 6,105 40,106 0.257,107 0.578,108 0.725,109 0.841,110 0.876,111 0.876,112 3.304,113 0.851,114 -4.23,115 -4.17,116 -3.94,119 48.8,124 1,142 10,143 4,144 2,145 1,151 1,158 1,161 1,172 13,175 4,178 2,180 4,183 14,188 6,191 1,193 5,196 10,200 4,205 4,208 6,212 2,213 5,216 1,217 1,218 4,221 6,225 5,230 3,233 5,238 4,241 1,243 3,246 5,249 1,250 4,255 3,258 6,264 3,269 1,272 8,276 982,277 18.024,278 18.024,279 18.024,280 18.024,281 18.024,282 15.391,283 11.833,284 10.703,285 18.346,286 14.281,287 14.281,288 14.281,289 14.281,290 14.281,291 10.274,292 15.343,293 5.026,294 14.692,295 3.918,296 2.041,297 1.18,298 0.5,299 0.297,300 0.297,301 4.005,304 1,305 1,306 1,307 616,308 2.915,311 58.896,312 230.803,315 104.189,319 1.607,320 19.514,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 55.5,332 281,333 4.61,334 3.577,335 6.718,336 4.154,337 3.171,338 4.555,339 1.058,340 10.945,341 3.119,342 4.226,343 3.168,344 6.089,345 3.863,346 2.868,347 3.808,348 0.86,349 8.867,350 2.85,351 3.954,352 2.827,353 5.763,354 3.527,355 2.551,356 3.536,358 7.847,359 2.491,360 3.722,361 2.568,362 5.336,363 3.313,364 2.356,365 3.124,367 6.889,368 2.246,369 3.502,370 2.272,371 5.147,372 3.079,373 2.112,374 2.849,376 6.237,377 2.035,378 3.219,379 1.93,380 4.635,381 2.713,382 1.741,383 2.555,385 4.65,386 1.688,387 2.86,388 1.742,389 4.088,390 2.381,391 1.397,392 1.987,394 3.502,395 1.363,396 2.811,397 1.341,398 3.978,399 2.307,400 1.33,401 1.937,403 3.223,404 1.295,405 2.584,406 1.227,407 3.502,408 2.077,409 1.101,410 1.619,412 2.604,413 1.072,414 2.522,415 1.099,416 3.473,417 2,418 1,419 1.5,421 2.444,422 1,423 2.5,424 1,425 3.247,426 1.997,427 1,428 1.482,430 2.136,431 0.992,432 2.056,433 0.936,434 3.213,435 1.518,436 0.575,437 0.842,439 1.426,440 0.54,441 1.583,442 0.688,443 2.793,444 1.293,445 0.427,446 0.48,448 0.621,449 0.366,450 1.213,451 0.366,452 2.666,453 0.809,454 -0.168,455 -0.218,457 -0.439,458 -0.162,459 0.782,460 -0.352,461 2.366,462 0.345,463 -0.637,464 -0.845,466 -1.42,467 -0.62,468 12.367,469 0.476,470 0.516,471 0.02,472 39.25,473 1.51,474 22.5,475 0.865,476 16.75,477 0.644,478 15.914,479 0.612,480 26.033,481 0.605,482 28.333,483 1.09,484 8.072,485 0.31,486 4.67,487 0.18,488 0.067,490 0.323,496 0.814,497 1.111,498 0.723,499 0.924,500 0.624,501 0.822,502 0.944,503 0.991,504 0.856,505 0.907,506 0.681,507 0.879,508 0.983,509 1.141,510 0.968,511 1.075,512 0.927,513 1.032,514 1.143,515 1.135,516 1.048,517 1.073,518 1.262,519 1.045,520 0.865,521 0.994,522 0.938,523 0.948,524 1.216,525 0.957,526 1.04,527 1.131,528 1.049,529 1.037,530 1.044,531 1.031,532 1.232,533 0.893,534 1.014,535 0.84,536 1.46,537 0.87,538 1.201,539 0.892,540 1.002,541 0.894,542 1.23,543 0.917,544 4.5,545 0.091,546 2.667,547 1.569,548 1.312,549 0.677,550 0.39,551 0.339,552 0.21,553 0.144,554 8358,555 22275,556 2.148,557 39.5,559 13,560 1,561 1,562 2,567 1.69,568 2.053,569 3.43,570 0.213,571 1,572 1,577 64.849,578 1.508,579 3.386,580 4.247,581 4.926,582 5.13,583 5.13,584 2.888,585 4.393,586 4.673,587 3.548,588 1153.14,589 8.093,590 14388.9,592 1,594 1,595 233.329,596 1.239,597 4.65,598 0.155,599 0.005,600 0.067,601 0.039,602 0.036,603 0.02,604 0.013,605 0.013,606 0.009,607 0.007,608 0.364,609 0.17,610 1,611 0.646,612 127.383,613 -0.06,614 -0.049,615 0.041,616 0.003,617 -0.076,618 0.034,619 0.01,620 0.043,621 -0.013,622 0.034,623 0.003,624 0.006,625 -0.054,626 -0.135,627 -0.067,628 -0.121,629 -0.02,630 -0.104,631 -0.122,632 -0.129,633 -0.095,634 -0.12,635 -0.085,636 -0.103,637 0.245,638 -0.005,639 0.065,640 0.019,641 0.13,642 0.009,643 -0.114,644 -0.104,645 -0.079,646 -0.09,647 -0.063,648 -0.077,649 -0.08,650 0.136,651 0.019,652 0.109,653 -0.073,654 0.092,655 -0.049,656 0.08,658 0.083,659 -0.04,660 0.054,661 1.873,662 5.509,663 0.808,664 22.426,665 1.003,666 1.112,667 3.002,668 9.012,669 0.704,670 3.401,671 3.714,672 4.007,673 4.277,674 4.5,675 4.543,676 4.691,677 4.804,678 4.844,679 4.942,680 6.327,681 0.679,682 343.41,683 3.401,684 4.934,685 5.79,686 6.666,687 7.538,688 8.421,689 9.301,690 10.187,691 11.071,692 11.96,693 7,700 1,701 1,703 1,708 2,709 12,710 1,711 1,714 5,716 22,723 1,733 1,735 43,737 23,738 2,739 29,741 46,742 21,743 19,744 3,745 9,746 1,748 4,749 5,762 20,763 1,767 1,772 1,776 1,779 1,780 1,783 17,784 4,785 2,786 5,792 3,797 0.75,798 2,809 1,811 1,815 1,816 3,819 1,843 3,847 1,851 26,860 1,861 1,874 4.7,877 1,879 1,881 12.667,882 8.033,883 5.778,884 2.388,886 4.035,887 1.535,888 1.032,889 4.422,890 11.58,891 3.738,892 4.373,893 5.015,894 5.643,895 6.2,896 6.498,897 6.966,898 7.389,899 7.661,900 8.058,901 1,902 40,903 9.558,905 4.057,906 7.724,907 18.144,909 14.734,911 2.224,912 57.833,915 1,916 176.567,917 150.29,918 51.582,920 36.145,923 150.29,924 212.711,925 51.582,926 10.883,927 18.011,928 103.81,929 60.122,930 56.963,931 11.771,932 153.024,934 176.567,935 201.872,936 36.145,939 176.567,940 36.145,943 45.559,944 139.527,945 16.786,947 176.567,948 87.727,949 150.29,952 176.567,953 26.55,954 123.74,955 34.796,956 52.93,957 176.567,958 87.727,959 150.29,961 0.574,962 0.343,963 0.189,964 0.104,965 20,966 8,967 0.087,968 4,969 1,970 1.095,971 3.866,972 220.868,973 0.095,974 21,975 118.211,981 16.369,982 7.023,983 3.354,984 1.739,985 70.941,986 22.607,987 4.413,988 3.174,991 3.953,993 34.796,994 414.583,995 41,1000 12.509,1004 -0.207,1007 43.145,1008 47.82,1009 0.278,1010 0.624,1011 0.783,1012 0.908,1013 0.945,1014 0.945,1015 4.945,1016 1.33,1017 5.759,1018 3.502,1019 4.394,1020 5.059,1021 1.552,1022 6.561,1023 4.345,1024 6.16,1025 1.101,1026 7.307,1027 3.223,1028 3.892,1029 4.796,1031 7.434,1032 3.84,1033 7.466,1034 1,1035 8.956,1036 2.604,1037 5.974,1038 7.312,1039 1.527,1040 10.546,1041 5.888,1042 8.812,1043 1,1044 10.667,1045 2.444,1046 6.33,1047 7.925,1049 12.281,1050 6.242,1051 10.191,1052 0.575,1053 12.417,1054 2.136,1055 7.843,1056 9.865,1057 1.53,1058 14.898,1059 7.73,1060 11.595,1061 0.427,1062 14.196,1063 1.426,1064 8.6,1065 10.913,1067 16.994,1068 8.484,1069 13.018,1070 -0.168,1071 15.995,1072 0.621,1073 9.879,1074 12.603,1075 1.557,1076 19.448,1077 9.744,1078 3.171,1079 -0.637,1080 17.809,1081 -0.439,1082 10.831,1083 13.877,1085 21.705,1086 10.688,1087 2.868,1088 10.945,1089 19.637,1090 -1.42,1091 12.014,1092 15.456,1093 1.603,1094 24.106,1095 11.855,1096 2.551,1097 8.867,1098 21.474,1099 4.555,1100 13.06,1101 16.848,1103 26.433,1104 12.891,1105 2.356,1106 7.847,1107 23.32,1108 3.808,1109 14.207,1110 18.38,1111 1.663,1112 28.82,1113 14.022,1114 2.112,1115 6.889,1116 25.173,1117 3.536,1118 15.299,1119 19.831,1121 31.18,1122 15.101,1123 1.741,1124 6.237,1125 27.033,1126 3.124,1127 16.435,1128 21.346,1129 1.734,1130 33.565,1131 16.222,1132 1.397,1133 4.65,1134 28.898,1135 2.849,1136 17.55,1137 22.827,1139 35.94,1140 17.322,1141 7884,1142 12992,1143 19.879,1144 30.256,1145 43.539,1146 44.729,1147 44.24,1148 43.159,1149 43.259,1150 60.545,1151 3.837,1152 122.779,1153 42.114,1154 5.438,1155 5.577,1156 6.52,1157 5.209,1158 5.171,1159 7.555,1160 2.117,1161 18.073,1162 5.119,1163 9.286,1164 1.501,1165 1.542,1166 1.526,1167 1.488,1168 1.492,1169 2.088,1170 0.132,1171 4.234,1172 1.452,1173 4.138,1174 4.174,1175 4.105,1176 4.043,1177 7.429,1178 4.053,1179 3.924,1180 3.943,1181 3.874,1182 3.846,1183 5.067,1184 3.849,1185 3.822,1186 3.857,1187 3.752,1188 3.745,1189 4.849,1190 3.743,1191 3.487,1192 3.538,1193 3.424,1194 3.3,1195 4.725,1196 3.322,1197 3.268,1198 3.323,1199 3.155,1200 3.03,1201 4.379,1202 3.054,1203 3.13,1204 3.174,1205 2.991,1206 2.914,1207 4.33,1208 2.92,1209 2.914,1210 2.979,1211 2.827,1212 2.747,1213 3.964,1214 2.758,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.674,1220 2.715,1221 0.159,1222 0.123,1223 0.232,1224 0.143,1225 0.109,1226 4.61,1227 0.157,1228 3.577,1229 0.036,1230 6.718,1231 0.377,1232 4.154,1233 0.108,1234 3.171,1235 4.555,1236 1.058,1237 10.945,1238 3.119,1239 1.959,1240 1.938,1241 2.048,1242 2.051,1243 1.168,1244 2.044,1245 1.897,1246 1.877,1247 1.998,1248 1.989,1249 1.077,1250 1.995,1251 1.805,1252 1.77,1253 1.896,1254 1.94,1255 0.971,1256 1.932,1257 1.421,1258 1.361,1259 1.578,1260 1.647,1261 0.601,1262 1.632,1263 1.256,1264 1.22,1265 1.573,1266 1.539,1267 0.575,1268 1.543,1269 1.161,1270 1.091,1271 1.333,1272 1.42,1273 0.374,1274 1.404,1275 0.947,1276 0.905,1277 1.181,1278 1.115,1279 0.218,1280 1.124,1281 0.886,1282 0.821,1283 1.143,1284 1.062,1285 0.218,1286 1.107,1287 4.078,1289 5.389,1290 2.398,1291 6.903,1292 4.727,1293 8.503,1294 6.843,1295 10.149,1297 1.575,1305 2.899,1306 5.171,1314 29.181,1315 64.849,1316 145.581,1317 182.6,1318 211.82,1319 220.574,1320 220.574,1321 35.037,1322 7.546,1323 67.01,1324 67.01,1325 23,1326 12.491,1327 4.585,1328 3.7,1329 38.083,1330 99,1331 98,1332 0.188,1333 178.81,1334 300.36,1335 428.056,1336 19953,1338 17.933,1339 0.69,1340 0.546,1341 17.933,1342 14.192,1343 12.742,1344 0.439,1345 0.284,1346 8.117,1347 12.324,1348 7.918,1349 6.604,1350 12.742,1351 8.224,1352 11.156,1353 0.279,1354 0.147,1355 11.156,1356 5.875,1357 9.743,1358 0.18,1359 0.078,1360 9.743,1361 4.206,1362 8.163,1363 0.115,1364 0.041,1365 8.163,1366 2.896,1367 6.664,1368 0.075,1369 0.022,1370 6.664,1371 1.919,1372 0.296,1373 79.458,1374 0.224,1375 25.127,1376 0.515,1377 138,1378 397.782,1379 148.644,1380 389.322,1381 539.83,1382 366,1383 163,1384 401.872,1385 173.674,1386 411.969,1387 599.39,1388 387,1389 6.8}
{0 CHEMBL1982957,1 1.444,2 9.333,3 3.071,4 9.433,5 93.793,6 8.035,7 0.815,8 3.777,9 3.888,10 3.417,11 3.43,12 4.978,13 3.41,14 4.228,15 4.355,16 3.772,17 3.824,18 5.44,19 3.783,20 4.462,21 4.631,22 3.801,23 3.924,24 5.588,25 3.857,26 4.487,27 4.678,28 3.715,29 3.878,30 5.591,31 3.798,32 4.478,33 4.698,34 3.657,35 3.81,36 5.527,37 3.726,38 4.368,39 4.578,40 3.571,41 3.702,42 5.468,43 3.626,44 4.27,45 4.485,46 3.41,47 3.568,48 5.418,49 3.483,50 4.108,51 4.337,52 3.215,53 3.422,54 5.127,55 3.321,56 0.031,57 0.537,58 6.539,59 3.101,60 8.141,61 3.792,62 0.105,63 0.835,64 10.863,65 5.259,66 20.032,67 6.663,68 0.076,69 1.029,70 15.696,71 7.143,72 23.197,73 9.134,74 0.125,75 1.076,76 17,77 7.153,78 29.036,79 9.152,80 0.122,81 1.07,82 18.12,83 7.356,84 27.049,85 9.78,86 0.115,87 0.971,88 15.791,89 6.294,90 25.463,91 8.212,92 0.223,93 0.886,94 14.727,95 5.586,96 36.097,97 7.185,98 0.079,99 0.725,100 12.74,101 5.237,102 16.147,103 7.047,104 6,105 38,106 0.251,107 0.506,108 0.681,109 0.808,110 0.862,111 0.874,112 3.229,113 0.85,114 -4.26,115 -4.2,116 -3.97,119 51.3,142 10,143 6,145 1,151 1,158 1,161 1,163 1,164 1,165 1,172 17,175 3,177 1,178 2,180 3,183 20,185 1,188 5,193 4,196 17,198 2,200 5,205 5,208 12,210 2,213 6,218 5,221 11,223 2,225 4,230 4,233 10,235 1,237 1,238 2,240 1,241 1,243 3,246 10,248 1,250 1,255 2,258 10,260 1,264 1,267 1,268 1,269 1,271 1,272 8,274 1,276 730,277 16.499,278 16.499,279 16.499,280 16.499,281 16.499,282 13.877,283 2.824,284 9.748,285 16.589,286 13.348,287 13.348,288 13.348,289 13.348,290 13.348,291 9.427,292 2.351,293 4.624,294 13.494,295 3.841,296 2.374,297 1.365,298 0.635,299 0.327,300 0.256,301 3.93,304 1,305 1,306 1,307 492,308 2.55,311 49.961,312 196.257,315 88.275,319 1.444,320 16.497,321 1,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 50.5,332 224,333 4.622,334 3.503,335 6.726,336 4.17,337 3.185,338 4.566,339 0.98,340 10.974,341 3.14,342 4.268,343 3.182,344 6.201,345 3.897,346 2.894,347 3.898,349 9.257,350 2.899,351 3.967,352 2.792,353 5.854,354 3.593,355 2.59,356 3.522,358 7.996,359 2.595,360 3.802,361 2.439,362 5.696,363 3.374,364 2.391,365 3.246,367 7.534,368 2.347,369 3.242,370 2.012,371 4.639,372 2.742,373 1.76,374 2.584,376 4.662,377 1.728,378 3.149,379 1.745,380 4.441,381 2.645,382 1.653,383 2.415,385 4.365,386 1.632,387 2.826,388 1.419,389 4.025,390 2.318,391 1.342,392 1.975,394 3.319,395 1.306,396 2.693,397 1.313,398 3.706,399 2.184,400 1.197,401 1.767,403 2.811,404 1.178,405 2.531,406 1.141,407 3.498,408 2.016,409 1,410 1.5,412 2.522,413 1.01,414 2.5,415 1,416 3.435,417 2,418 1,419 1.5,421 2.322,422 1,423 2.5,424 1,425 3.247,426 1.978,427 1,428 1.474,430 2.136,431 0.976,432 2.014,433 0.531,434 3.204,435 1.476,436 0.531,437 0.783,439 1.341,440 0.501,441 1.002,442 0.133,443 2.624,444 0.573,445 -0.403,446 -0.545,448 -1.019,449 -0.392,450 0.779,451 -0.403,452 2.366,453 0.326,454 -0.674,455 -0.918,457 -1.598,458 -0.671,459 0.705,460 -0.658,461 2.137,462 0.234,463 -0.771,464 -1.041,466 -2,467 -0.766,468 11.533,469 0.481,470 0.538,471 0.022,472 36.5,473 1.521,474 21.5,475 0.896,476 15,477 0.625,478 14.347,479 0.598,480 23.267,481 0.597,482 25.633,483 1.068,484 7.426,485 0.309,486 4.295,487 0.179,488 0.064,490 0.347,496 0.807,497 0.922,498 0.736,499 0.771,500 0.73,501 0.739,502 0.54,503 0.926,504 0.815,505 0.93,506 0.484,507 0.91,508 0.865,509 1.118,510 0.952,511 1.075,512 0.843,513 1.04,514 1.04,515 1.071,516 1.078,517 1.061,518 0.997,519 1.07,520 0.871,521 1.029,522 0.924,523 0.968,524 0.751,525 0.952,526 1.022,527 1.101,528 1.004,529 1.013,530 0.818,531 1.001,532 1.165,533 0.886,534 1.129,535 0.939,536 1.134,537 1.008,538 0.786,539 0.968,540 0.952,541 1.009,542 0.729,543 0.997,544 4,545 0.066,546 2.889,547 1.319,548 0.992,549 0.837,550 0.434,551 0.243,552 0.176,553 0.152,554 6368,555 17157,556 2.161,557 38.5,559 10,560 1,561 1,562 3,567 1.671,568 2.057,569 3.251,570 0.915,571 1,572 1,574 1,577 56.334,578 1.444,579 2.911,580 3.921,581 4.651,582 4.958,583 5.029,584 2.705,585 3.772,586 4.557,587 3.354,588 925.666,589 7.874,590 10621.8,591 1,592 1,593 1,594 1,595 206.131,596 1.281,597 4.532,598 0.148,599 0.007,600 0.076,601 0.035,602 0.029,603 0.026,604 0.015,605 0.01,606 0.009,607 0.009,608 0.364,609 0.33,610 1,611 0.681,612 112.872,613 -0.105,614 0.112,615 0.016,616 0.111,617 -0.136,618 0.089,619 0.158,620 0.067,621 -0.025,622 -0.017,623 0.123,624 -0.04,625 -0.046,626 -0.172,627 -0.061,628 -0.114,629 -0.017,630 -0.098,631 -0.126,632 -0.09,633 -0.144,634 -0.103,635 -0.117,636 -0.121,637 -0.024,638 -0.054,639 0.066,640 0.016,641 0.006,642 0.046,643 -0.08,644 -0.096,645 -0.028,646 -0.055,647 0.004,648 -0.037,649 -0.007,650 0.142,651 -0.127,652 0.015,653 -0.049,654 -0.054,655 0.004,656 -0.019,657 0.055,658 -0.005,659 0.009,660 0.029,661 2.1,662 4.396,663 0.875,664 18.736,665 0.998,666 1.108,667 3.031,668 9.185,669 0.719,670 3.332,671 3.664,672 3.97,673 4.248,674 4.5,675 4.595,676 4.771,677 4.898,678 4.99,679 5.088,680 5.606,681 0.691,682 313.38,683 3.332,684 4.875,685 5.74,686 6.624,687 7.508,688 8.4,689 9.291,690 10.187,691 11.082,692 11.98,693 7.7,700 1,701 1,703 1,708 2,709 12,710 1,711 1,714 5,716 22,722 1,735 39,737 23,738 2,739 27,741 42,742 20,743 19,744 3,745 9,746 1,748 4,749 5,762 20,767 1,772 1,776 1,779 1,780 1,783 15,784 3,785 3,786 4,792 3,797 0.75,798 1,809 1,811 1,815 1,816 3,819 1,843 3,851 24,852 1,874 2.6,877 1,881 11.667,882 6.95,883 5.222,884 2.2,886 4.241,887 1.566,888 1.065,889 3.544,890 11.727,891 3.689,892 4.347,893 5.015,894 5.664,895 6.262,896 6.652,897 7.194,898 7.677,899 8.076,900 8.529,901 1,902 38,903 8.808,905 3.793,906 7.743,907 16.77,909 13.95,911 2.243,912 53.833,916 141.253,917 137.778,918 66.468,920 25.145,923 137.778,924 166.398,925 66.468,927 32.897,928 103.81,929 60.122,930 44.334,931 11.771,932 117.711,934 141.253,935 204.246,936 25.145,939 141.253,940 25.145,943 60.445,944 127.015,945 16.786,947 141.253,948 91.613,949 137.778,952 141.253,953 24.921,954 112.857,955 16.786,956 74.828,957 141.253,958 91.613,959 137.778,961 0.582,962 0.344,963 0.187,964 0.104,965 20,966 8,967 0.071,968 3,969 1,970 1.095,971 3.637,972 203.457,973 0.095,974 21,975 106.039,981 14.522,982 5.856,983 2.685,984 1.881,985 74.828,986 23.307,987 4.506,988 3.21,991 4.591,993 49.683,994 370.645,995 39,1000 11.396,1004 -0.433,1007 38.934,1008 43.196,1009 0.273,1010 0.551,1011 0.742,1012 0.88,1013 0.938,1014 0.951,1015 4.902,1016 1.197,1017 5.72,1018 3.319,1019 4.344,1020 5.034,1021 1.072,1022 6.544,1023 4.323,1024 6.13,1025 1,1026 7.284,1027 2.811,1028 3.892,1029 4.796,1031 7.469,1032 3.878,1033 7.444,1034 1,1035 8.951,1036 2.522,1037 5.943,1038 7.309,1039 1.045,1040 10.584,1041 5.906,1042 8.799,1043 1,1044 10.68,1045 2.322,1046 6.347,1047 7.95,1049 12.358,1050 6.314,1051 10.187,1052 0.531,1053 12.448,1054 2.136,1055 7.846,1056 9.888,1057 1.019,1058 14.974,1059 7.794,1060 11.6,1061 -0.403,1062 14.243,1063 1.341,1064 8.638,1065 10.956,1067 17.087,1068 8.584,1069 13.033,1070 -0.674,1071 16.056,1072 -1.019,1073 9.912,1074 12.644,1075 0.993,1076 19.538,1077 9.842,1078 3.185,1079 -0.771,1080 17.883,1081 -1.598,1082 10.885,1083 13.93,1085 21.798,1086 10.808,1087 2.894,1088 10.974,1089 19.72,1090 -2,1091 12.068,1092 15.508,1093 0.967,1094 24.196,1095 11.977,1096 2.59,1097 9.257,1098 21.565,1099 4.566,1100 13.127,1101 16.905,1103 26.522,1104 13.024,1105 2.391,1106 7.996,1107 23.417,1108 3.898,1109 14.276,1110 18.437,1111 0.942,1112 28.905,1113 14.159,1114 1.76,1115 7.534,1116 25.274,1117 3.522,1118 15.375,1119 19.89,1121 31.262,1122 15.245,1123 1.653,1124 4.662,1125 27.135,1126 3.246,1127 16.514,1128 21.405,1129 0.917,1130 33.644,1131 16.369,1132 1.342,1133 4.365,1134 29.001,1135 2.584,1136 17.634,1137 22.887,1139 36.017,1140 17.475,1141 6028,1142 9988,1143 18.493,1144 28.04,1145 41.565,1146 41.726,1147 41.788,1148 41.055,1149 41.087,1150 58.46,1151 1.96,1152 118.478,1153 40.624,1154 5.293,1155 5.503,1156 6.528,1157 5.216,1158 5.185,1159 7.566,1160 1.96,1161 18.109,1162 5.14,1163 8.909,1164 1.539,1165 1.545,1166 1.548,1167 1.521,1168 1.522,1169 2.165,1170 0.073,1171 4.388,1172 1.505,1173 4.15,1174 4.183,1175 4.117,1176 4.068,1177 7.437,1178 4.075,1179 3.918,1180 3.941,1181 3.867,1182 3.862,1183 5.072,1184 3.859,1185 3.803,1186 3.84,1187 3.735,1188 3.718,1189 4.898,1190 3.718,1191 3.413,1192 3.458,1193 3.352,1194 3.261,1195 4.732,1196 3.273,1197 3.251,1198 3.312,1199 3.156,1200 3.031,1201 4.649,1202 3.058,1203 2.924,1204 2.988,1205 2.84,1206 2.769,1207 4.27,1208 2.778,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.885,1214 2.715,1215 2.759,1216 2.836,1217 2.61,1218 2.61,1219 3.674,1220 2.602,1221 0.171,1222 0.13,1223 0.249,1224 0.154,1225 0.118,1226 4.622,1227 0.169,1228 3.503,1229 0.036,1230 6.726,1231 0.406,1232 4.17,1233 0.116,1234 3.185,1235 4.566,1236 0.98,1237 10.974,1238 3.14,1239 2.003,1240 1.983,1241 2.079,1242 2.076,1243 1.213,1244 2.076,1245 1.907,1246 1.883,1247 2.017,1248 1.981,1249 1.106,1250 1.995,1251 1.739,1252 1.707,1253 1.83,1254 1.885,1255 0.912,1256 1.869,1257 1.421,1258 1.361,1259 1.576,1260 1.627,1261 0.599,1262 1.619,1263 1.219,1264 1.182,1265 1.395,1266 1.517,1267 0.356,1268 1.487,1269 1.038,1270 0.992,1271 1.213,1272 1.172,1273 0.247,1274 1.19,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.751,1282 0.683,1283 1.053,1284 0.971,1285 0.09,1286 1.006,1287 4.007,1289 5.333,1290 2.398,1291 6.862,1292 4.727,1293 8.478,1294 6.843,1295 10.14,1301 5.375,1314 26.94,1315 56.334,1316 113.527,1317 152.911,1318 181.376,1319 193.376,1320 196.131,1321 30.665,1322 7.487,1323 71.77,1324 71.77,1325 23,1326 12.504,1327 4.585,1328 3.7,1329 33.789,1330 82,1331 73,1332 0.209,1333 165.221,1334 274.27,1335 394.9,1336 17547,1338 16.518,1339 0.688,1340 0.536,1341 16.518,1342 12.861,1343 11.72,1344 0.434,1345 0.283,1346 7.592,1347 11.48,1348 7.427,1349 6.17,1350 11.72,1351 7.65,1352 10.567,1353 0.278,1354 0.148,1355 10.567,1356 5.634,1357 9.13,1358 0.176,1359 0.079,1360 9.13,1361 4.096,1362 7.682,1363 0.111,1364 0.042,1365 7.682,1366 2.87,1367 6.39,1368 0.072,1369 0.022,1370 6.39,1371 1.955,1372 0.321,1373 72.096,1374 0.233,1375 23.15,1376 0.59,1377 130,1378 341.026,1379 136.738,1380 344.193,1381 480.43,1382 322,1383 155,1384 361.918,1385 161.49,1386 373.76,1387 545.65,1388 353,1389 7.1}
{0 CHEMBL1982980,1 1.569,2 11.172,3 7.539,4 56.843,5 117.745,6 8.315,7 0.516,8 4.03,9 4.129,10 3.677,11 3.636,12 5.163,13 3.597,14 4.546,15 4.698,16 4.079,17 4.025,18 5.698,19 3.964,20 4.768,21 4.924,22 4.328,23 4.189,24 5.907,25 4.108,26 4.904,27 5.089,28 4.16,29 4.218,30 5.958,31 4.118,32 4.985,33 5.213,34 4.001,35 4.206,36 5.956,37 4.075,38 4.964,39 5.185,40 3.952,41 4.13,42 6.019,43 4.004,44 4.866,45 5.097,46 3.793,47 3.983,48 5.938,49 3.839,50 4.646,51 4.86,52 3.798,53 3.847,54 5.747,55 3.744,56 0.054,57 0.646,58 9.254,59 4.896,60 10.209,61 6.059,62 0.231,63 1.041,64 19.178,65 8.542,66 39.789,67 10.869,68 0.441,69 1.264,70 30.98,71 10.797,72 43.261,73 13.451,74 0.401,75 1.457,76 32.628,77 12.133,78 46.475,79 15.321,80 0.405,81 1.571,82 37.738,83 13.514,84 58.824,85 17.675,86 0.478,87 1.502,88 37.024,89 12.945,90 67.24,91 16.512,92 0.653,93 1.287,94 36.385,95 12.288,96 84.866,97 15.598,98 0.34,99 1.051,100 27.413,101 9.68,102 53.67,103 12.048,104 55,105 44,106 0.261,107 0.635,108 0.77,109 0.853,110 0.859,111 0.859,112 3.408,113 0.982,114 -6.27,115 -6.11,116 -5.68,119 44.2,120 3,121 2,125 1,136 2,142 6,143 3,144 3,152 2,158 1,167 1,170 1,172 14,175 2,178 1,180 3,181 1,183 16,184 1,188 4,191 1,192 1,193 5,196 18,197 2,200 5,205 6,208 15,209 3,213 4,218 5,221 15,222 3,225 4,226 1,228 1,230 3,233 13,234 2,237 1,238 4,241 1,243 2,246 9,247 2,250 4,255 3,258 7,259 1,264 3,269 3,272 6,273 2,276 1458,277 19.018,278 19.018,279 19.018,280 19.018,281 19.018,282 16.464,283 16.577,284 11.028,285 19.411,286 15.209,287 15.209,288 15.209,289 15.209,290 15.209,291 11.468,292 14.81,293 5.119,294 16.009,295 4.132,296 1.892,297 1.078,298 0.582,299 0.544,300 0.544,301 4.084,302 2,306 1,307 676,308 4.123,311 65.132,312 182.124,315 124.827,319 1.639,320 31,323 0.75,324 0.83,325 0.83,326 0.7,327 0.5,328 0.83,329 1,330 0.78,331 62.167,332 324,333 4.74,334 3.647,335 6.964,336 4.298,337 3.313,338 4.696,339 1.437,340 11.803,341 3.264,342 4.316,343 3.446,344 6.426,345 3.859,346 2.947,347 3.979,348 0.86,349 9.703,350 2.85,351 4.24,352 3.258,353 6.335,354 3.834,355 2.862,356 3.74,357 0.68,358 9.395,359 2.559,360 3.791,361 2.963,362 5.78,363 3.364,364 2.367,365 3.177,367 7.415,368 2.348,369 3.393,370 2.64,371 5.259,372 3.015,373 2.056,374 2.666,376 5.941,377 1.994,378 3.314,379 2.372,380 5.031,381 2.882,382 1.979,383 2.559,385 5.674,386 1.701,387 2.997,388 2.025,389 4.517,390 2.546,391 1.567,392 2.212,394 4.04,395 1.517,396 2.867,397 1.755,398 4.108,399 2.476,400 1.492,401 2.03,403 3.556,404 1.462,405 2.793,406 1.685,407 3.889,408 2.359,409 1.414,410 1.841,412 3.19,413 1.284,414 2.511,415 1.538,416 3.65,417 2.183,418 1.222,419 1.473,421 2.876,422 1.157,423 2.31,424 1.272,425 3.504,426 1.929,427 0.953,428 1.246,430 2.28,431 0.921,432 1.797,433 1.164,434 3.229,435 1.604,436 0.661,437 0.728,439 1.529,440 0.605,441 1.624,442 0.946,443 2.975,444 1.319,445 0.427,446 0.496,448 1.001,449 0.353,450 1.283,451 0.461,452 2.481,453 0.852,454 0.076,455 0.087,457 0.168,458 0.05,459 0.994,460 0.43,461 2.409,462 0.592,463 -0.319,464 -0.391,466 -0.768,467 -0.271,468 14.329,469 0.494,470 0.865,471 0.03,472 35,473 1.207,474 17.5,475 0.603,476 17.5,477 0.603,478 29.226,479 1.008,480 31.271,481 0.601,482 26.229,483 0.904,484 6.918,485 0.239,486 6.89,487 0.238,488 0.251,490 0.384,496 0.744,497 1.095,498 0.601,499 0.885,500 0.716,501 0.871,502 0.655,503 1.043,504 0.59,505 0.82,506 0.43,507 0.812,508 0.732,509 1.107,510 0.742,511 0.972,512 0.616,513 0.97,514 0.916,515 1.166,516 0.896,517 1.092,518 0.858,519 1.098,520 0.847,521 1.05,522 0.846,523 1.012,524 0.9,525 1.04,526 1.043,527 1.068,528 0.917,529 1.083,530 1.186,531 1.113,532 1.023,533 0.954,534 0.902,535 0.975,536 1.225,537 1.019,538 1.174,539 0.994,540 0.818,541 0.913,542 1.318,543 0.915,544 5.5,545 0.21,546 4.222,547 2.764,548 2.002,549 1.077,550 0.805,551 0.399,552 0.291,553 0.283,554 10164,555 32073,556 1.973,557 44.2,558 11,559 8,562 2,564 2,567 1.72,568 1.794,569 3.431,570 0.194,577 81.584,578 1.569,579 3.809,580 4.623,581 5.118,582 5.157,583 5.157,584 2.872,585 4.582,586 4.83,587 3.644,588 1479.52,589 8.416,590 20291.2,595 296.423,596 1.556,597 4.756,598 0.177,599 0.008,600 0.096,601 0.058,602 0.045,603 0.028,604 0.023,605 0.014,606 0.01,607 0.009,608 0.467,609 0.17,610 0.88,611 1.096,612 147.722,613 -0.059,614 0.026,615 0.002,616 0.036,617 -0.091,618 0.038,619 0.106,620 0.014,621 0.124,622 0.122,623 0.202,624 0.135,625 0.162,626 -0.067,627 0.138,628 -0.01,629 0.097,630 -0.021,631 -0.04,632 -0.127,633 -0.085,634 -0.153,635 -0.058,636 -0.15,637 -0.064,638 -0.038,639 -0.061,640 -0.072,641 -0.059,642 -0.061,643 -0.076,644 -0.062,645 -0.113,646 -0.151,647 -0.095,648 -0.154,649 0.051,650 -0.02,651 -0.041,652 -0.013,653 -0.02,654 -0.033,655 -0.096,656 -0.034,657 0.033,658 0.044,659 -0.065,660 0.056,661 2.629,662 4.836,663 0.517,664 28.649,665 1.006,666 1.115,667 5.043,668 25.428,669 0.697,670 3.466,671 3.807,672 4.094,673 4.331,674 4.533,675 4.615,676 4.691,677 4.745,678 4.682,679 4.7,680 6.852,681 0.657,682 432.37,683 3.466,684 5.017,685 5.878,686 6.765,687 7.65,688 8.546,689 9.441,690 10.341,691 11.241,692 12.146,693 1.9,701 1,708 2,709 6,711 1,714 6,716 16,725 1,733 1,734 2,735 52,737 18,738 2,739 31,741 54,742 23,743 14,744 6,745 6,746 3,748 3,749 4,750 2,754 3,760 2,762 17,763 6,767 2,772 1,776 3,783 23,784 3,785 2,786 6,787 2,792 1,797 0.667,798 3,811 1,815 1,816 2,819 1,835 2,841 1,843 2,847 3,848 2,851 29,857 1,858 3,861 1,873 2,874 5.8,876 1,877 1,879 1,881 16.167,882 10.319,883 6.417,884 3.128,886 3.384,887 1.456,888 0.958,889 6.936,890 10.806,891 3.738,892 4.391,893 5.008,894 5.61,895 6.148,896 6.49,897 6.841,898 7.162,899 7.183,900 7.358,901 1,902 48,903 10.72,905 4.516,906 7.847,907 20.274,909 16.403,911 2.347,912 68.056,916 247.193,917 126.365,918 16.786,919 78.297,920 78.828,923 126.365,924 404.319,925 16.786,926 26.476,927 9.661,928 56.857,929 68.738,930 55.345,931 4.901,932 247.193,933 78.297,934 247.193,935 143.151,936 78.828,937 78.297,939 223.651,940 102.37,943 52.923,944 90.228,945 78.297,947 247.193,948 95.614,949 204.662,952 247.193,953 43.032,954 83.333,955 16.786,956 157.125,957 247.193,958 95.614,959 204.662,961 0.589,962 0.354,963 0.182,964 0.098,965 20,966 11,967 0.13,968 7,969 1,970 1.133,971 3.903,972 250.152,973 0.133,974 15,975 138.881,981 21.753,982 9.246,983 4.63,984 1.79,985 78.828,986 11.185,988 3.13,991 3.396,993 59.469,994 547.469,995 41,1000 11.836,1004 1.368,1007 52.334,1008 57.997,1009 0.275,1010 0.668,1011 0.811,1012 0.898,1013 0.905,1014 0.905,1015 4.984,1016 1.492,1017 5.889,1018 4.04,1019 4.489,1020 5.078,1021 2.019,1022 6.744,1023 4.395,1024 6.229,1025 1.414,1026 7.488,1027 3.556,1028 4.205,1029 5.066,1031 7.774,1032 4.046,1033 7.568,1034 1.222,1035 9.193,1036 3.19,1037 6.125,1038 7.376,1039 2.402,1040 10.902,1041 5.967,1042 8.949,1043 0.953,1044 10.957,1045 2.876,1046 6.661,1047 8.195,1049 12.758,1050 6.448,1051 10.363,1052 0.661,1053 12.758,1054 2.28,1055 8.087,1056 10.012,1057 2.975,1058 15.425,1059 7.876,1060 11.8,1061 0.427,1062 14.585,1063 1.529,1064 8.978,1065 11.208,1067 17.614,1068 8.73,1069 13.257,1070 0.076,1071 16.43,1072 1.001,1073 10.228,1074 12.839,1075 3.637,1076 20.129,1077 9.976,1078 3.313,1079 -0.319,1080 18.288,1081 0.168,1082 11.274,1083 14.211,1085 22.462,1086 10.999,1087 2.947,1088 11.803,1089 20.156,1090 -0.768,1091 12.462,1092 15.772,1093 4.336,1094 24.928,1095 12.181,1096 2.862,1097 9.703,1098 22.033,1099 4.696,1100 13.576,1101 17.228,1103 27.326,1104 13.28,1105 2.367,1106 9.395,1107 23.916,1108 3.979,1109 14.747,1110 18.766,1111 5.05,1112 29.779,1113 14.444,1114 2.056,1115 7.415,1116 25.805,1117 3.74,1118 15.891,1119 20.262,1121 32.208,1122 15.578,1123 1.979,1124 5.941,1125 27.699,1126 3.177,1127 17.06,1128 21.794,1129 5.77,1130 34.661,1131 16.74,1132 1.567,1133 5.674,1134 29.598,1135 2.666,1136 18.221,1137 23.312,1139 37.106,1140 17.893,1141 10096,1142 18161,1143 19.709,1144 36.222,1145 47,1146 48.735,1147 49.53,1148 46.846,1149 46.671,1150 61.86,1151 5.953,1152 137.143,1153 44.13,1154 5.647,1155 5.647,1156 6.641,1157 5.358,1158 5.313,1159 7.696,1160 2.873,1161 19.437,1162 5.264,1163 18.747,1164 1.516,1165 1.572,1166 1.598,1167 1.511,1168 1.506,1169 1.995,1170 0.192,1171 4.424,1172 1.424,1173 4.162,1174 4.189,1175 4.142,1176 4.088,1177 7.475,1178 4.095,1179 3.904,1180 3.913,1181 4.103,1182 3.848,1183 6.351,1184 3.841,1185 3.733,1186 3.775,1187 3.644,1188 3.648,1189 5.071,1190 3.641,1191 3.551,1192 3.609,1193 3.457,1194 3.427,1195 4.922,1196 3.414,1197 3.451,1198 3.48,1199 3.399,1200 3.261,1201 4.57,1202 3.276,1203 3.12,1204 3.217,1205 3.353,1206 2.936,1207 4.434,1208 2.915,1209 3.087,1210 3.098,1211 3.233,1212 2.839,1213 4.413,1214 2.852,1215 2.984,1216 3.04,1217 3,1218 2.826,1219 4.219,1220 2.806,1221 0.153,1222 0.118,1223 0.225,1224 0.139,1225 0.107,1226 4.74,1227 0.151,1228 3.647,1229 0.046,1230 6.964,1231 0.381,1232 4.298,1233 0.105,1234 3.313,1235 4.696,1236 1.437,1237 11.803,1238 3.264,1239 1.988,1240 1.968,1241 2.08,1242 2.057,1243 1.303,1244 2.065,1245 1.863,1246 1.852,1247 1.951,1248 1.956,1249 1.193,1250 1.96,1251 1.74,1252 1.705,1253 1.899,1254 1.869,1255 1.033,1256 1.879,1257 1.614,1258 1.564,1259 1.825,1260 1.778,1261 0.968,1262 1.797,1263 1.418,1264 1.376,1265 1.581,1266 1.654,1267 0.725,1268 1.64,1269 1.15,1270 1.053,1271 1.544,1272 1.404,1273 0.609,1274 1.461,1275 1.046,1276 0.995,1277 1.417,1278 1.263,1279 0.469,1280 1.308,1281 0.934,1282 0.845,1283 1.29,1284 1.239,1285 0.395,1286 1.276,1287 4.143,1289 5.476,1290 2.398,1291 7.004,1292 4.844,1293 8.625,1294 7.066,1295 10.296,1297 6.149,1298 12.151,1302 9.7,1303 1.609,1306 5.74,1314 34.142,1315 81.584,1316 198.045,1317 240.384,1318 266.158,1319 268.158,1320 268.158,1321 65.036,1322 7.422,1323 62.32,1324 62.32,1325 17,1326 12.666,1327 4.248,1328 3.459,1329 52.483,1330 116,1331 112,1332 0.216,1333 218.316,1334 380.71,1335 524.452,1336 16894,1337 3.8,1338 21.129,1339 0.729,1340 0.625,1341 22.129,1342 18.117,1343 13.807,1344 0.445,1345 0.327,1346 9.371,1347 12.929,1348 8.944,1349 7.457,1350 14.385,1351 10.146,1352 12.645,1353 0.287,1354 0.18,1355 13.349,1356 7.926,1357 10.64,1358 0.18,1359 0.099,1360 11.651,1361 5.856,1362 8.251,1363 0.11,1364 0.049,1365 8.739,1366 3.671,1367 6.552,1368 0.071,1369 0.027,1370 6.884,1371 2.468,1372 0.34,1373 91.667,1374 0.225,1375 27.531,1376 0.59,1377 150,1378 446.36,1379 191.064,1380 492.173,1381 647.18,1382 456,1383 178,1384 424.1,1385 217.582,1386 452.012,1387 664.77,1388 424,1389 5.1}
{0 CHEMBL1982992,1 1.94,2 6.722,3 3.459,4 11.963,5 73.29,6 10.683,7 0.8,8 3.424,9 3.503,10 3.344,11 3.111,12 4.686,13 3.077,14 3.841,15 3.937,16 3.738,17 3.475,18 5.12,19 3.424,20 4.011,21 4.147,22 3.825,23 3.493,24 5.242,25 3.418,26 3.966,27 4.148,28 3.653,29 3.291,30 5.231,31 3.236,32 3.801,33 3.981,34 3.283,35 3.217,36 4.935,37 3.12,38 3.665,39 3.818,40 3.368,41 3.194,42 4.906,43 3.095,44 3.635,45 3.779,46 3.252,47 3.092,48 4.868,49 2.958,50 3.336,51 3.485,52 3.031,53 2.589,54 4.827,55 2.464,56 0.095,57 0.385,58 2.09,59 1.967,60 7.746,61 1.748,62 0.154,63 0.62,64 4.867,65 3.288,66 8.755,67 3.047,68 0.244,69 0.673,70 10.908,71 4.332,72 20.878,73 3.891,74 0.346,75 0.673,76 11.548,77 4.327,78 24.672,79 4.346,80 0.244,81 0.534,82 9.77,83 3.789,84 23.145,85 3.564,86 0.174,87 0.445,88 7.418,89 3.343,90 15.841,91 3.81,92 0.182,93 0.438,94 10.478,95 3.703,96 15.292,97 3.354,98 0.252,99 0.298,100 8.851,101 3.005,102 25.17,103 2.625,104 5,105 28,106 0.375,107 0.719,108 0.85,109 0.909,110 0.909,111 0.909,112 2.962,113 0.965,114 -4.06,115 -4.01,116 -3.8,119 46.2,142 4,143 1,144 3,147 1,148 1,151 1,161 1,172 2,174 1,175 3,178 1,180 5,183 5,193 2,196 2,200 5,203 1,204 1,205 4,208 2,213 1,221 1,225 3,228 1,230 1,233 5,238 1,246 2,250 1,253 1,255 2,258 2,276 348,277 12.223,278 12.223,279 12.223,280 12.223,281 12.223,282 10.245,283 13.245,284 7.217,285 12.751,286 9.888,287 9.888,288 9.888,289 9.888,290 9.888,291 7.005,292 22.275,293 3.433,294 10.833,295 2.761,296 0.981,297 0.308,301 3.64,302 1,305 1,306 1,307 263,308 2,311 33.543,312 93.258,315 63.433,319 1.006,320 16.784,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 38.833,332 121,333 4.619,334 3.343,335 6.771,336 4.097,337 3.17,338 4.582,339 0.4,340 11.066,341 2.924,342 4.046,343 2.838,344 5.577,345 3.615,346 2.654,347 3.653,349 7.631,350 2.547,351 3.529,352 2.495,353 5.156,354 3.073,355 2.169,356 2.901,358 6.2,359 1.949,360 3.343,361 2.239,362 4.932,363 2.774,364 1.914,365 2.702,367 5.384,368 1.649,369 3.199,370 1.918,371 4.672,372 2.713,373 1.797,374 2.46,376 4.995,377 1.569,378 2.67,379 1.296,380 3.856,381 2.181,382 1.201,383 1.748,385 2.804,386 1.176,387 2.639,388 1.228,389 3.486,390 2.07,391 1.166,392 1.704,394 2.608,395 1.016,396 2.254,397 0.882,398 3.372,399 1.613,400 0.809,401 1.15,403 1.986,404 0.629,405 1.331,406 0.322,407 2.855,408 0.934,409 0.031,410 0.038,412 0.081,413 0.027,414 0.933,415 -0.056,416 2.335,417 0.518,418 -0.408,419 -0.512,421 -0.913,422 -0.347,423 0.79,424 -0.123,425 2,426 0.286,427 -0.572,428 -0.728,430 -1.355,431 -0.378,432 0.741,433 -0.553,434 2,435 0.155,436 -0.654,437 -0.881,439 -1.731,440 -0.608,441 0.314,442 -1.065,443 2,444 -0.169,445 -1.116,446 -1.609,448 -3.111,449 -0.979,450 0.143,451 -1.107,452 1.701,453 -0.409,454 -1.237,455 -1.725,457 -3.243,458 -1.09,459 -0.111,460 -1.234,461 1.382,462 -0.492,463 -1.413,464 -1.882,466 -3.47,467 -1.293,468 9.081,469 0.504,470 0.435,471 0.024,472 27,473 1.5,474 15,475 0.833,476 12,477 0.667,478 11.092,479 0.616,480 17.919,481 0.689,482 15.625,483 0.868,484 5.178,485 0.288,486 3.559,487 0.198,488 0.115,490 0.33,496 0.927,497 1.037,498 0.59,499 0.656,500 0.935,501 0.637,502 0.708,503 1.046,504 0.77,505 0.933,506 0.611,507 0.845,508 1.171,509 1.26,510 0.798,511 0.876,512 1.146,513 0.992,514 0.635,515 1.081,516 0.749,517 1.004,518 0.677,519 0.951,520 1.235,521 0.742,522 1.021,523 0.78,524 1.187,525 0.947,526 0.699,527 0.819,528 0.842,529 0.8,530 0.663,531 0.891,532 1.324,533 1.005,534 1.553,535 1.342,536 1.279,537 1.267,538 1.219,539 1.056,540 1.411,541 1.539,542 1.565,543 1.348,544 3.5,546 1.778,547 1.535,548 0.676,549 0.385,550 0.252,551 0.191,552 0.082,554 2749,555 10158,556 2.12,557 30.8,559 4,560 1,561 1,562 2,567 1.589,568 2,569 2.801,570 0.483,574 1,577 50.437,578 1.94,579 3.719,580 4.393,581 4.7,582 4.7,583 4.7,584 2.108,585 3.948,586 4.148,587 2.923,588 447.168,589 7.045,590 4206,591 1,592 1,594 1,595 122.211,596 1.352,597 4.109,598 0.175,600 0.063,601 0.059,602 0.031,603 0.023,604 0.014,605 0.014,606 0.01,608 0.389,609 0.67,610 1,611 0.584,612 75.22,613 -0.188,614 -0.032,615 -0.01,616 0.111,617 -0.207,618 0.078,619 0.008,620 -0.008,621 -0.047,622 -0.083,623 0.024,624 -0.078,625 -0.199,626 -0.287,627 0.069,628 -0.01,629 -0.208,630 -0.118,631 0.331,632 -0.063,633 0.159,634 -0.08,635 0.201,636 0.033,637 -0.297,638 0.207,639 -0.129,640 0.129,641 -0.251,642 0.052,643 0.114,644 0.053,645 0.081,646 0.121,647 0.156,648 0.12,649 -0.27,650 -0.075,651 -0.318,652 -0.227,653 -0.186,654 -0.242,655 0.353,656 -0.18,657 -0.022,658 -0.308,659 0.333,660 -0.234,661 1.471,662 3.422,663 0.833,664 9.778,665 1.026,666 1.108,667 2.831,668 8.012,669 0.779,670 3.045,671 3.367,672 3.638,673 3.932,674 4.06,675 4.06,676 4.111,677 4.22,678 4.111,679 4.078,680 4.42,681 0.745,682 277.75,683 3.045,684 4.575,685 5.425,686 6.308,687 7.174,688 8.063,689 8.935,690 9.827,691 10.702,692 11.595,693 11.5,701 1,703 2,708 2,709 6,710 2,713 1,714 4,716 16,728 1,732 1,734 1,735 26,737 16,738 1,739 20,741 28,742 12,743 12,744 2,745 4,748 3,749 4,750 1,762 12,780 1,783 8,784 4,785 2,786 6,787 2,792 3,797 0.667,798 1,810 1,815 1,816 2,819 1,843 2,845 1,848 1,851 18,857 1,860 1,869 1,873 1,874 3.8,876 1,881 9,882 4.66,883 3.917,884 1.368,886 3.132,887 1.481,888 1.003,889 3.055,890 9.639,891 3.367,892 4.039,893 4.674,894 5.313,895 5.777,896 6.018,897 6.383,898 6.818,899 6.917,900 7.198,901 1,902 26,903 6.575,905 2.81,906 7.858,907 12.317,909 10.022,911 2.358,912 42.444,913 0.001,916 70.627,917 96.926,918 51.582,919 39.149,920 42.683,922 31.278,923 65.648,924 152.459,925 51.582,928 45.554,929 88.342,930 35.46,931 14.099,932 78.362,933 39.149,934 70.627,935 117.23,936 42.683,937 70.426,939 70.627,940 42.683,943 26.946,944 56.712,945 72.72,946 31.278,947 70.627,948 94.265,949 136.074,952 70.627,953 42.753,954 54.173,955 18.011,956 115.403,957 70.627,958 94.265,959 136.074,961 0.582,962 0.339,963 0.193,964 0.097,965 15,966 6,967 0.071,968 2,969 1,970 1.133,971 3.066,972 131.877,973 0.133,974 15,975 75.059,977 1,981 11.687,982 4.706,983 2.291,984 1.63,985 94.265,986 10.139,987 8.339,990 1.469,991 2.203,993 60.694,994 300.966,995 28,1007 26.684,1008 28.814,1009 0.413,1010 0.791,1011 0.935,1012 1,1013 1,1014 1,1015 4.575,1016 0.809,1017 5.407,1018 2.608,1019 4.043,1020 4.723,1021 0.278,1022 6.217,1023 3.87,1024 5.805,1025 0.031,1026 6.959,1027 1.986,1028 3.611,1029 4.559,1031 7.116,1032 3.341,1033 7.122,1034 -0.408,1035 8.613,1036 0.081,1037 5.624,1038 7.023,1039 0.05,1040 10.241,1041 5.318,1042 8.479,1043 -0.572,1044 10.329,1045 -0.913,1046 6.019,1047 7.725,1049 12.039,1050 5.615,1051 9.87,1052 -0.654,1053 12.087,1054 -1.355,1055 7.507,1056 9.639,1057 0.008,1058 14.681,1059 7.07,1060 11.286,1061 -1.116,1062 13.877,1063 -1.731,1064 8.302,1065 10.77,1067 16.853,1068 7.765,1069 12.722,1070 -1.237,1071 15.691,1072 -3.111,1073 9.576,1074 12.45,1075 0.001,1076 19.335,1077 8.993,1078 3.17,1079 -1.413,1080 17.525,1081 -3.243,1082 10.562,1083 13.79,1085 21.652,1086 9.88,1087 2.654,1088 11.066,1089 19.375,1090 -3.47,1091 11.75,1092 15.372,1094 24.081,1095 11.01,1096 2.169,1097 7.631,1098 21.237,1099 4.582,1100 12.824,1101 16.809,1103 26.453,1104 11.988,1105 1.914,1106 6.2,1107 23.11,1108 3.653,1109 13.982,1110 18.351,1112 28.864,1113 13.076,1114 1.797,1115 5.384,1116 24.991,1117 2.901,1118 15.095,1119 19.833,1121 31.256,1122 14.097,1123 1.201,1124 4.995,1125 26.878,1126 2.702,1127 16.243,1128 21.36,1130 33.662,1131 15.169,1132 1.166,1133 2.804,1134 28.77,1135 2.46,1136 17.375,1137 22.863,1139 36.061,1140 16.212,1141 2680,1142 5263,1143 13.523,1144 20.261,1145 30.197,1146 30.225,1147 30.954,1148 29.938,1149 29.822,1150 41.877,1151 0.8,1152 85.508,1153 26.969,1154 5.381,1155 5.343,1156 6.329,1157 5.209,1158 5.17,1159 7.582,1160 0.8,1161 17.934,1162 4.924,1163 7.028,1164 1.51,1165 1.511,1166 1.548,1167 1.497,1168 1.491,1169 2.094,1170 0.04,1171 4.275,1172 1.348,1173 4.055,1174 4.075,1175 4.362,1176 4.038,1177 6.471,1178 3.992,1179 3.871,1180 3.892,1181 3.843,1182 3.807,1183 5.11,1184 3.801,1185 3.296,1186 3.339,1187 3.499,1188 3.156,1189 4.705,1190 3.144,1191 3.062,1192 3.131,1193 3.42,1194 2.857,1195 4.628,1196 2.87,1197 2.923,1198 2.967,1199 2.934,1200 2.746,1201 4.103,1202 2.747,1203 2.659,1204 2.701,1205 2.784,1206 2.623,1207 3.911,1208 2.557,1209 2.359,1210 2.414,1211 2.523,1212 2.257,1213 3.586,1214 2.226,1215 2.185,1216 2.271,1217 2.195,1218 2.013,1219 3.401,1220 1.961,1221 0.231,1222 0.167,1223 0.339,1224 0.205,1225 0.159,1226 4.619,1227 0.229,1228 3.343,1229 0.02,1230 6.771,1231 0.553,1232 4.097,1233 0.146,1234 3.17,1235 4.582,1236 0.4,1237 11.066,1238 2.924,1239 1.899,1240 1.872,1241 1.992,1242 2.023,1243 1.067,1244 2.012,1245 1.756,1246 1.733,1247 1.778,1248 1.879,1249 0.91,1250 1.866,1251 1.369,1252 1.378,1253 1.308,1254 1.396,1255 0.559,1256 1.456,1257 0.969,1258 0.912,1259 1.179,1260 1.228,1261 0.228,1262 1.21,1263 0.883,1264 0.838,1265 1.126,1266 1.126,1267 0.13,1268 1.129,1269 0.808,1270 0.767,1271 0.89,1272 0.912,1273 0.016,1274 0.967,1275 0.478,1276 0.402,1277 0.735,1278 0.751,1280 0.766,1281 0.025,1283 0.582,1284 0.579,1286 0.592,1287 3.714,1289 5.03,1290 2.398,1291 6.544,1292 4.727,1293 8.15,1294 6.823,1295 9.805,1298 6.116,1302 9.422,1305 3.126,1314 19.374,1315 50.437,1316 96.702,1317 114.211,1318 122.211,1319 122.211,1320 122.211,1321 21.681,1322 6.507,1323 58.04,1324 86.28,1325 17,1326 12.125,1327 4.087,1328 3.17,1329 25.667,1330 47,1331 42,1332 0.273,1333 127.05,1334 203.41,1335 301.761,1336 5032,1337 3.8,1338 12.535,1339 0.696,1340 0.592,1341 13.389,1342 10.664,1343 8.737,1344 0.437,1345 0.322,1346 5.219,1347 7.749,1348 5.011,1349 4.137,1350 9.48,1351 6.434,1352 7.957,1353 0.284,1354 0.176,1355 8.878,1356 4.927,1357 6.569,1358 0.178,1359 0.101,1360 7.713,1361 3.748,1362 5.824,1363 0.116,1364 0.056,1365 7.043,1366 2.79,1367 4.333,1368 0.076,1369 0.029,1370 5.312,1371 1.665,1372 0.411,1373 62.034,1374 0.272,1375 17.782,1376 0.796,1377 96,1378 304.837,1379 142.068,1380 350.639,1381 469.16,1382 326,1383 113,1384 309.476,1385 155.503,1386 339.319,1387 495.98,1388 318,1389 5.1}
{0 CHEMBL1983006,1 1.966,2 10.833,3 1.321,4 1.744,5 81.883,6 10.228,7 0.48,8 3.673,9 3.758,10 3.466,11 3.155,12 5.107,13 3.216,14 4.09,15 4.202,16 3.825,17 3.469,18 5.629,19 3.517,20 4.266,21 4.385,22 3.934,23 3.593,24 5.754,25 3.63,26 4.328,27 4.456,28 3.973,29 3.517,30 5.93,31 3.562,32 4.311,33 4.472,34 3.776,35 3.4,36 5.861,37 3.424,38 4.159,39 4.331,40 3.689,41 3.303,42 5.655,43 3.32,44 4.109,45 4.256,46 3.431,47 3.223,48 5.594,49 3.236,50 3.923,51 4.087,52 3.523,53 3.104,54 5.733,55 3.124,56 0.258,57 0.517,58 2.959,59 2.41,60 25.59,61 1.952,62 0.544,63 0.728,64 6.98,65 3.819,66 58.23,67 3.514,68 0.611,69 0.829,70 9.102,71 4.536,72 67.577,73 3.692,74 0.774,75 0.787,76 12.932,77 5.148,78 87.5,79 4.556,80 0.951,81 0.731,82 16.315,83 5.082,84 102.447,85 5.136,86 0.671,87 0.644,88 12.685,89 4.554,90 74.221,91 4.852,92 0.75,93 0.576,94 15.459,95 4.138,96 108.789,97 3.119,98 0.596,99 0.519,100 9.505,101 3.402,102 90.165,103 4.036,104 46,105 34,106 0.358,107 0.794,108 0.869,109 0.901,110 0.901,111 0.901,112 3.228,113 0.808,114 -1.43,115 -1.51,116 -1.56,119 41.2,124 1,142 2,143 1,144 3,145 2,146 1,147 1,158 2,159 1,167 1,170 1,172 1,173 1,175 2,178 4,179 1,180 2,183 3,184 1,187 2,188 3,191 2,193 2,196 2,197 2,199 2,200 3,201 1,203 1,205 5,212 3,213 2,216 3,218 1,219 1,225 3,228 2,229 1,230 2,237 1,238 2,239 1,244 1,249 3,250 3,253 3,254 1,264 2,265 1,276 820,277 15.826,278 15.826,279 15.826,280 15.826,281 15.826,282 13.935,283 21.471,284 9.222,285 16.337,286 12.177,287 12.177,288 12.177,289 12.177,290 12.177,291 9.136,292 26.739,293 4.194,294 12.955,295 3.122,296 0.728,297 0.316,298 0.14,299 0.14,300 0.14,301 3.886,302 1,304 1,305 1,306 1,307 529,308 3.606,312 179.081,319 1.611,320 39.099,323 1,324 0.83,325 1,326 0.4,328 1,329 1,330 0.75,331 54.833,332 260,333 4.44,334 4.057,335 6.459,336 4.032,337 3.074,338 4.125,339 2.035,340 9.993,341 2.928,342 4.117,343 3.647,344 6.005,345 3.659,346 2.711,347 3.698,348 1.656,349 8.442,350 2.563,351 3.929,352 3.563,353 5.545,354 3.536,355 2.581,356 3.297,357 1.437,358 7.527,359 2.456,360 3.731,361 3.096,362 5.221,363 3.27,364 2.309,365 2.979,366 0.86,367 6.576,368 2.209,369 3.404,370 2.746,371 4.852,372 2.892,373 1.94,374 2.559,375 0.247,376 5.446,377 1.843,378 3.248,379 2.632,380 4.714,381 2.764,382 1.851,383 2.449,385 4.949,386 1.595,387 2.936,388 2.201,389 4.17,390 2.316,391 1.346,392 1.814,394 3.484,395 1.279,396 2.778,397 1.912,398 3.414,399 1.917,400 1,401 1.5,403 2.275,404 0.915,405 2.5,406 1.414,407 3.277,408 1.589,409 0.713,410 1.077,412 1.476,413 0.599,414 1.921,415 1,416 2.931,417 1.499,418 0.578,419 0.814,421 0.951,422 0.528,423 1.349,424 0.766,425 2.694,426 0.958,427 0.051,428 0.061,430 0.095,431 0.046,432 1.235,433 0.653,434 2.533,435 0.773,436 -0.148,437 -0.191,439 -0.284,440 -0.12,441 0.942,442 0.398,443 2.252,444 0.484,445 -0.39,446 -0.51,448 -0.929,449 -0.306,450 0.67,451 0.359,452 2.056,453 0.153,454 -0.831,455 -1.084,457 -1.908,458 -0.778,459 0.567,460 -0.046,461 2,462 0.117,463 -0.876,464 -1.238,466 -2,467 -0.844,468 11.048,469 0.46,470 0.647,471 0.027,472 35.75,473 1.49,474 19.5,475 0.813,476 16.25,477 0.677,478 14.859,479 0.619,480 25.552,481 0.752,482 27.238,483 1.135,484 7.371,485 0.307,486 4.068,487 0.169,488 0.237,490 0.362,496 0.919,497 1.377,498 0.564,499 0.934,500 0.702,501 0.77,502 0.788,503 1.023,504 0.637,505 0.766,506 0.521,507 0.743,508 1.103,509 1.045,510 1.041,511 0.981,512 0.946,513 0.984,514 1.025,515 1.173,516 1.048,517 1.321,518 0.953,519 1.192,520 0.901,521 0.907,522 1.088,523 1.025,524 1.042,525 1.059,526 0.87,527 0.997,528 0.816,529 1.048,530 0.864,531 1.016,532 1.75,533 0.884,534 1.791,535 1.028,536 1.798,537 1.138,538 0.445,539 0.797,540 0.649,541 0.793,542 0.319,543 0.843,544 6,545 0.124,546 2.667,547 1.75,548 1.627,549 0.986,550 0.446,551 0.306,552 0.193,553 0.198,554 5949,555 27497,556 1.925,557 29.4,559 5,561 2,562 3,567 1.667,568 1.756,569 3.373,570 1.162,572 1,574 1,577 66.842,578 1.966,579 4.359,580 4.771,581 4.948,582 4.948,583 4.948,584 2.872,585 4.085,586 4.555,587 3.542,588 977.63,589 7.853,590 11700.4,591 1,592 1,595 172.974,596 1.555,597 4.483,598 0.24,599 0.009,600 0.078,601 0.049,602 0.049,603 0.035,604 0.018,605 0.015,606 0.009,607 0.012,608 0.514,609 0.33,610 1,611 1.066,612 115.221,613 -0.206,614 -0.227,615 -0.027,616 -0.032,617 -0.115,618 0.022,619 0.058,620 0.058,621 0.069,622 0.157,623 0.128,624 0.118,625 -0.225,626 0.021,627 -0.174,628 -0.046,629 -0.159,630 -0.125,631 -0.013,632 -0.217,633 -0.008,634 -0.337,635 -0.008,636 -0.244,637 0.182,638 -0.008,639 -0.015,640 -0.037,641 -0.012,642 -0.027,643 0.095,644 -0.094,645 0.215,646 -0.046,647 0.07,648 0.064,649 -0.564,650 -0.005,651 -0.56,652 -0.009,653 -0.532,654 -0.15,655 0.522,656 0.146,657 0.318,658 0.182,659 0.605,660 0.199,661 2.887,662 4.965,663 0.5,664 21.361,665 1.053,666 1.133,667 0.203,668 0.041,669 0.706,670 3.258,671 3.555,672 3.761,673 3.951,674 4.127,675 4.127,676 4.043,677 4.007,678 3.807,679 3.989,680 6.267,681 0.717,682 347.74,683 3.258,684 4.779,685 5.602,686 6.463,687 7.306,688 8.17,689 9.019,690 9.884,691 10.737,692 11.603,693 14.7,700 2,702 1,703 2,709 4,710 2,714 6,716 12,718 1,725 1,733 1,734 1,735 34,737 15,738 1,739 25,741 35,742 14,743 10,744 4,745 2,746 1,748 2,749 2,750 1,753 1,761 1,762 12,763 1,767 2,772 2,776 2,779 1,780 1,783 10,784 9,785 3,786 10,787 1,792 5,797 1,798 4,806 1,816 2,841 1,843 2,847 1,848 1,851 24,857 1,860 2,861 1,866 1,870 1,872 1,873 1,874 11.8,876 1,877 2,879 1,881 13.667,882 6.526,883 5.5,884 1.661,886 2.422,887 1.37,888 0.915,889 5.665,890 8.978,891 3.584,892 4.127,893 4.649,894 5.158,895 5.649,896 5.806,897 5.91,898 5.978,899 5.691,900 6.229,901 1,902 36,903 8.766,905 3.69,906 8.435,907 15.385,909 11.581,911 2.935,912 70.444,916 82.398,917 89.489,918 100.652,919 39.149,920 103.973,923 89.489,924 225.519,925 100.652,926 10.883,927 36.022,928 18.952,929 167.598,930 77.597,931 6.604,932 58.856,933 39.149,934 82.398,935 190.141,936 103.973,937 39.149,939 82.398,940 103.973,943 87.932,944 68.637,945 72.72,947 82.398,948 204.625,949 128.638,952 82.398,953 24.957,954 47.93,955 52.623,956 207.752,957 82.398,958 204.625,959 128.638,961 0.575,962 0.337,963 0.175,964 0.094,965 14,966 8,967 0.114,968 4,970 1,971 3.514,972 180.645,974 12,975 110.039,981 17.637,982 7.708,983 4.407,985 204.625,986 4.875,987 7.596,991 0.316,993 78.705,994 415.66,995 35,1000 23.004,1004 -1.895,1007 35.793,1008 38.519,1009 0.386,1010 0.857,1011 0.938,1012 0.973,1013 0.973,1014 0.973,1015 4.812,1016 1,1017 5.595,1018 3.484,1019 4.234,1020 4.812,1021 2.98,1022 6.375,1023 4.115,1024 6.037,1025 0.713,1026 7.146,1027 2.275,1028 3.892,1029 4.663,1030 1.195,1031 7.239,1032 3.725,1033 7.345,1034 0.578,1035 8.791,1036 1.476,1037 5.808,1038 6.977,1039 4.009,1040 10.268,1041 5.593,1042 8.683,1043 0.051,1044 10.489,1045 0.951,1046 6.217,1047 7.578,1048 2.324,1049 11.897,1050 5.949,1051 10.045,1052 -0.148,1053 12.219,1054 0.095,1055 7.64,1056 9.403,1057 5.225,1058 14.46,1059 7.331,1060 11.425,1061 -0.39,1062 13.971,1063 -0.284,1064 8.395,1065 10.361,1066 3.407,1067 16.431,1068 8.032,1069 12.819,1070 -0.831,1071 15.74,1072 -0.929,1073 9.619,1074 11.975,1075 6.534,1076 18.821,1077 9.216,1078 3.074,1079 -0.876,1080 17.522,1081 -1.908,1082 10.547,1083 13.124,1084 4.464,1085 20.956,1086 10.088,1087 2.711,1088 9.993,1089 19.315,1090 -2,1091 11.689,1092 14.634,1093 7.891,1094 23.28,1095 11.189,1096 2.581,1097 8.442,1098 21.117,1099 4.125,1100 12.703,1101 15.892,1102 5.504,1103 25.495,1104 12.149,1105 2.309,1106 7.527,1107 22.927,1108 3.698,1109 13.814,1110 17.349,1111 9.275,1112 27.795,1113 13.216,1114 1.94,1115 6.576,1116 24.742,1117 3.297,1118 14.872,1119 18.668,1120 6.531,1121 30.049,1122 14.222,1123 1.851,1124 5.446,1125 26.564,1126 2.979,1127 15.974,1128 20.099,1129 10.674,1130 32.342,1131 15.279,1132 1.346,1133 4.949,1134 28.39,1135 2.559,1136 17.056,1137 21.455,1138 7.551,1139 34.617,1140 16.309,1141 6101,1142 13232,1143 15.72,1144 23.989,1145 38.007,1146 40.698,1147 38.775,1148 36.356,1149 36.306,1150 48.748,1151 12.469,1152 102.43,1153 33.922,1154 5.314,1155 6.057,1156 6.012,1157 5.1,1158 5.074,1159 7.125,1160 4.069,1161 16.741,1162 4.928,1163 15.292,1164 1.52,1165 1.628,1166 1.551,1167 1.454,1168 1.452,1169 1.95,1170 0.499,1171 4.097,1172 1.357,1173 3.965,1174 3.984,1175 4.046,1176 3.876,1177 7.475,1178 3.883,1179 3.853,1180 3.898,1181 3.836,1182 3.681,1183 7.431,1184 3.713,1185 3.479,1186 3.512,1187 3.5,1188 3.209,1189 6.821,1190 3.263,1191 3.317,1192 3.346,1193 3.348,1194 3.048,1195 6.351,1196 3.088,1197 3.188,1198 3.233,1199 3.25,1200 2.949,1201 4.96,1202 2.963,1203 3.071,1204 3.097,1205 3.075,1206 2.802,1207 4.927,1208 2.856,1209 2.784,1210 2.837,1211 2.855,1212 2.657,1213 4.627,1214 2.631,1215 2.704,1216 2.793,1217 2.582,1218 2.473,1219 4.147,1220 2.491,1221 0.178,1222 0.162,1223 0.258,1224 0.161,1225 0.123,1226 4.44,1227 0.165,1228 4.057,1229 0.081,1230 6.459,1231 0.4,1232 4.032,1233 0.117,1234 3.074,1235 4.125,1236 2.035,1237 9.993,1238 2.928,1239 1.893,1240 1.883,1241 1.94,1242 2.014,1243 1.086,1244 1.992,1245 1.762,1246 1.715,1247 1.827,1248 1.949,1249 0.753,1250 1.921,1251 1.318,1252 1.285,1253 1.566,1254 1.617,1255 0.573,1256 1.554,1257 1.208,1258 1.156,1259 1.404,1260 1.534,1261 0.329,1262 1.537,1263 1.089,1264 1.05,1265 1.204,1266 1.361,1267 0.194,1268 1.308,1269 0.908,1270 0.886,1271 1.046,1272 1.202,1273 0.069,1274 1.151,1275 0.773,1276 0.724,1277 0.985,1278 0.955,1280 0.985,1281 0.645,1282 0.561,1283 0.866,1284 0.922,1286 0.924,1287 3.932,1289 5.231,1291 6.723,1293 8.303,1295 9.93,1297 1.323,1298 5.869,1302 9.018,1305 4.862,1306 5.044,1312 8.63,1313 1.802,1314 24.374,1315 66.842,1316 148.219,1317 162.219,1318 168.219,1319 168.219,1320 168.219,1321 61.707,1322 6.555,1323 137.23,1324 137.23,1325 12,1326 12.152,1327 4,1328 3.459,1329 48.574,1330 90,1331 100,1332 0.267,1333 159.292,1334 283.21,1335 380.432,1336 5311,1337 2.9,1338 17.69,1339 0.737,1340 0.54,1341 18.19,1342 12.957,1343 11.439,1344 0.458,1345 0.269,1346 6.225,1347 10.48,1348 6.072,1349 5.054,1350 11.728,1351 6.73,1352 10.157,1353 0.299,1354 0.139,1355 10.527,1356 4.722,1357 8.012,1358 0.191,1359 0.074,1360 8.344,1361 3.088,1362 6.395,1363 0.125,1364 0.038,1365 6.806,1366 1.949,1367 4.785,1368 0.078,1369 0.019,1370 5.017,1371 1.176,1372 0.421,1373 76.736,1374 0.252,1375 23.616,1376 0.721,1377 118,1378 507.161,1379 151.505,1380 511.924,1381 656.94,1382 470,1383 135,1384 434.556,1385 163.01,1386 448.227,1387 643.83,1388 416,1389 5.5}
{0 CHEMBL1983025,1 1.514,2 14.743,3 5.357,4 28.702,5 145.951,6 7.558,7 0.579,8 4.234,9 4.363,10 3.84,11 3.849,12 5.364,13 3.793,14 4.725,15 4.895,16 4.213,17 4.244,18 5.82,19 4.161,20 4.975,21 5.173,22 4.294,23 4.388,24 6.058,25 4.286,26 5.069,27 5.293,28 4.292,29 4.393,30 6.138,31 4.266,32 5.039,33 5.279,34 4.152,35 4.304,36 6.074,37 4.171,38 4.904,39 5.121,40 4.181,41 4.24,42 5.99,43 4.13,44 4.902,45 5.105,46 4.099,47 4.262,48 5.946,49 4.132,50 4.887,51 5.111,52 3.949,53 4.211,54 5.872,55 4.056,56 0.075,57 0.937,58 13.484,59 5.723,60 15.435,61 7.486,62 0.248,63 1.477,64 24.639,65 10.346,66 30.646,67 13.631,68 0.228,69 1.854,70 32.104,71 12.466,72 45.415,73 16.566,74 0.247,75 1.996,76 38.588,77 14.177,78 52.974,79 19.065,80 0.315,81 1.867,82 40.234,83 14.362,84 60.019,85 18.529,86 0.279,87 1.698,88 33.586,89 12.008,90 49.552,91 15.62,92 0.307,93 1.734,94 35.821,95 12.246,96 47.343,97 15.344,98 0.265,99 1.666,100 35.257,101 13.154,102 38.324,103 16.851,104 44,105 54,106 0.239,107 0.624,108 0.766,109 0.821,110 0.832,111 0.837,112 3.588,113 0.981,114 -5.25,115 -5.14,116 -4.81,119 43.8,120 3,121 2,130 1,141 2,142 8,143 5,144 2,145 1,147 1,151 1,152 1,159 1,163 2,164 2,165 2,172 15,175 2,177 1,178 3,179 1,180 8,183 21,185 4,188 2,193 8,196 19,198 4,200 7,205 11,208 14,210 4,213 6,218 8,221 8,223 3,225 7,227 1,228 1,230 9,233 13,235 5,238 3,243 3,246 18,248 1,250 1,253 1,254 2,255 5,257 3,258 16,260 3,262 1,264 1,269 6,272 14,274 4,276 2433,277 23.463,278 23.463,279 23.463,280 23.463,281 23.463,282 20.494,283 23.654,284 13.41,285 23.822,286 18.537,287 18.537,288 18.537,289 18.537,290 18.537,291 13.973,292 31.4,293 6.164,294 19.131,295 4.486,296 2.044,297 1.141,298 0.797,299 0.723,300 0.692,301 4.279,306 1,307 1095,308 4.416,311 84.436,312 351.679,315 160.374,319 2.493,320 27.491,323 0.75,324 0.67,325 0.83,326 0.7,327 0.5,328 0.83,329 1,330 0.75,331 73.5,332 516,333 4.737,334 3.802,335 6.977,336 4.267,337 3.297,338 4.713,339 1.656,340 11.828,341 3.202,342 4.418,343 3.563,344 6.94,345 4.212,346 3.235,347 3.757,348 0.769,349 11.578,350 3.154,351 4.118,352 3.351,353 6.077,354 3.734,355 2.759,356 3.661,357 0.247,358 8.752,359 2.685,360 4.058,361 2.836,362 5.63,363 3.656,364 2.672,365 3.527,367 7.806,368 2.625,369 3.836,370 2.738,371 5.534,372 3.447,373 2.467,374 3.193,376 7.242,377 2.41,378 3.637,379 2.548,380 5.373,381 3.195,382 2.22,383 2.943,385 6.755,386 2.165,387 3.466,388 2.288,389 4.903,390 3.054,391 2.089,392 2.773,394 5.71,395 2.011,396 3.316,397 2.136,398 4.717,399 2.774,400 1.821,401 2.528,403 4.964,404 1.741,405 3.157,406 1.888,407 4.505,408 2.651,409 1.68,410 2.315,412 4.591,413 1.594,414 3.01,415 1.246,416 4.194,417 2.181,418 1.184,419 1.733,421 3.241,422 1.179,423 2.658,424 1.239,425 3.731,426 2.072,427 1.107,428 1.684,430 2.586,431 1.057,432 2.56,433 1.064,434 3.547,435 2,436 1,437 1.542,439 2.407,440 1,441 2.5,442 1,443 3.479,444 1.894,445 0.977,446 1.5,448 2.275,449 0.884,450 2.264,451 0.856,452 3.414,453 1.618,454 0.704,455 1.054,457 1.655,458 0.618,459 1.618,460 0.632,461 3.414,462 1.59,463 0.618,464 0.618,466 0.828,467 0.609,468 17.167,469 0.49,470 0.944,471 0.027,472 46.25,473 1.321,474 25,475 0.714,476 21.25,477 0.607,478 32.66,479 0.933,480 36.233,481 0.566,482 36.663,483 1.048,484 8.646,485 0.247,486 8.168,487 0.233,488 0.153,489 0.029,490 0.291,496 0.963,497 1.013,498 0.816,499 0.833,500 0.898,501 0.844,502 0.453,503 0.968,504 0.797,505 0.909,506 0.486,507 0.871,508 1.1,509 1.058,510 0.914,511 0.926,512 1.017,513 0.97,514 0.907,515 1.148,516 0.954,517 1.072,518 0.927,519 1.028,520 1.273,521 0.987,522 1.076,523 0.996,524 1.26,525 0.917,526 1.194,527 1.055,528 1,529 0.988,530 1.192,531 0.916,532 1.41,533 1.134,534 1.466,535 1.241,536 1.293,537 1.117,538 0.727,539 1.094,540 1.374,541 1.329,542 0.65,543 1.182,544 8.5,545 0.169,546 4.222,547 2.403,548 2.064,549 1.337,550 0.78,551 0.682,552 0.502,553 0.313,554 19313,555 47320,556 2.034,557 45.3,558 9,559 8,560 1,561 1,562 6,564 4,567 1.764,568 1.883,569 3.811,570 3.021,577 96.903,578 1.514,579 3.956,580 4.859,581 5.203,582 5.277,583 5.308,584 3.283,585 4.786,586 5.095,587 4.042,588 2405.14,589 8.929,590 39144.7,595 384,596 1.592,597 5.043,598 0.224,599 0.005,600 0.078,601 0.043,602 0.04,603 0.028,604 0.016,605 0.016,606 0.013,607 0.009,608 0.472,610 0.88,611 1.258,612 192.509,613 -0.126,614 0.12,615 0.035,616 0.124,617 -0.17,618 0.087,619 0.322,620 0.088,621 0.137,622 0.097,623 0.192,624 0.104,625 -0.117,626 -0.014,627 0.002,628 0.03,629 -0.074,630 -0.015,631 0.019,632 -0.141,633 0.056,634 -0.066,635 0.004,636 -0.044,637 -0.08,638 -0.005,639 0.022,640 0.045,641 -0.021,642 0.074,643 -0.017,644 -0.028,645 0.071,646 0.038,647 0.009,648 0.056,649 -0.249,650 -0.055,651 -0.259,652 -0.136,653 -0.221,654 -0.146,655 0.058,656 -0.079,657 -0.223,658 -0.226,659 0.05,660 -0.171,661 1.962,662 5.372,663 0.6,664 47.931,665 0.992,666 1.119,667 4.021,668 16.17,669 0.692,670 3.664,671 4.007,672 4.263,673 4.5,674 4.71,675 4.82,676 4.949,677 5.147,678 5.215,679 5.283,680 8.687,681 0.646,682 483.69,683 3.664,684 5.22,685 6.071,686 6.957,687 7.825,688 8.717,689 9.594,690 10.49,691 11.374,692 12.274,693 7.8,694 1,697 1,700 2,703 1,708 2,709 10,710 1,713 1,714 7,716 22,727 1,735 64,737 24,738 2,739 38,741 67,742 28,743 19,744 4,745 8,748 4,749 5,753 1,754 3,760 2,761 2,762 20,763 6,764 1,767 1,772 1,776 1,783 29,784 6,785 6,786 7,787 1,792 5,797 0.75,798 1,809 1,815 1,816 3,819 1,823 2,836 1,843 3,845 1,847 3,851 35,852 2,858 2,860 2,865 1,866 1,869 1,872 2,874 1.6,877 1,881 18.583,882 12.283,883 7.764,884 3.95,886 4.886,887 1.595,888 0.994,889 7.518,890 13.102,891 3.97,892 4.598,893 5.221,894 5.85,895 6.409,896 6.808,897 7.276,898 7.783,899 8.13,900 8.499,901 0.9,902 56,903 12.905,905 5.434,906 7.693,907 24.689,909 20.132,911 2.193,912 76.75,916 270.735,917 217.568,918 118.601,920 25.145,922 31.278,923 186.291,924 295.88,925 118.601,926 26.476,927 73.988,928 116.356,929 53.702,930 29.876,931 53.182,932 278.471,934 270.735,935 304.892,936 25.145,937 31.278,939 223.651,940 72.229,943 109.511,944 144.535,945 50.847,946 31.278,947 270.735,948 143.746,949 217.568,952 270.735,953 64.525,954 118.982,955 70.083,956 107.725,957 270.735,958 143.746,959 217.568,961 0.586,962 0.345,963 0.174,964 0.09,965 25,966 12,967 0.075,968 5,969 1,970 1.095,971 4.54,972 323.527,973 0.095,974 21,975 169.525,977 1,981 24.877,982 10.577,983 5.711,984 1.879,985 143.746,986 19.095,987 4.397,990 1.59,991 5.773,993 101.816,994 632.05,995 52,1000 12.372,1004 -0.295,1007 63.516,1008 71.603,1009 0.252,1010 0.659,1011 0.81,1012 0.867,1013 0.88,1014 0.885,1015 5.223,1016 1.821,1017 6.089,1018 5.71,1019 4.691,1020 5.286,1021 1.944,1022 6.934,1023 4.631,1024 6.471,1025 1.68,1026 7.678,1027 4.964,1028 4.443,1029 5.147,1030 1.195,1031 8.109,1032 4.368,1033 7.808,1034 1.184,1035 9.372,1036 4.591,1037 6.365,1038 7.55,1039 2.476,1040 11.113,1041 6.254,1042 9.181,1043 1.107,1044 11.13,1045 3.241,1046 6.919,1047 8.231,1048 2.324,1049 13.099,1050 6.787,1051 10.582,1052 1,1053 12.93,1054 2.586,1055 8.345,1056 10.119,1057 3.26,1058 15.703,1059 8.184,1060 12.006,1061 0.977,1062 14.761,1063 2.407,1064 9.243,1065 11.212,1066 3.407,1067 17.988,1068 9.057,1069 13.446,1070 0.704,1071 16.614,1072 2.275,1073 10.496,1074 12.886,1075 4.159,1076 20.485,1077 10.283,1078 3.297,1079 0.618,1080 18.484,1081 1.655,1082 11.547,1083 14.201,1084 4.464,1085 22.879,1086 11.306,1087 3.235,1088 11.828,1089 20.367,1090 0.828,1091 12.74,1092 15.785,1093 5.112,1094 25.347,1095 12.472,1096 2.759,1097 11.578,1098 22.261,1099 4.713,1100 13.859,1101 17.217,1102 5.504,1103 27.781,1104 13.563,1105 2.672,1106 8.752,1107 24.163,1108 3.757,1109 15.036,1110 18.768,1111 6.091,1112 30.243,1113 14.712,1114 2.467,1115 7.806,1116 26.072,1117 3.661,1118 16.186,1119 20.258,1120 6.531,1121 32.693,1122 15.833,1123 2.22,1124 7.242,1125 27.986,1126 3.527,1127 17.359,1128 21.801,1129 7.083,1130 35.153,1131 16.979,1132 2.089,1133 6.755,1134 29.905,1135 3.193,1136 18.525,1137 23.32,1138 7.551,1139 37.61,1140 18.115,1141 18646,1142 29412,1143 24.849,1144 44.267,1145 57.665,1146 57.532,1147 59.928,1148 56.132,1149 56.205,1150 75.677,1151 5.345,1152 165.432,1153 54.39,1154 5.603,1155 5.802,1156 6.533,1157 5.373,1158 5.297,1159 7.713,1160 2.912,1161 19.213,1162 5.202,1163 20.177,1164 1.517,1165 1.514,1166 1.577,1167 1.477,1168 1.479,1169 1.992,1170 0.141,1171 4.353,1172 1.431,1173 4.121,1174 4.132,1175 4.34,1176 4.129,1177 7.431,1178 4.088,1179 3.934,1180 3.968,1181 3.885,1182 3.861,1183 5.201,1184 3.857,1185 3.855,1186 3.888,1187 3.807,1188 3.792,1189 5.056,1190 3.787,1191 3.774,1192 3.826,1193 3.702,1194 3.676,1195 4.791,1196 3.664,1197 3.45,1198 3.496,1199 3.456,1200 3.281,1201 4.747,1202 3.277,1203 3.306,1204 3.407,1205 3.381,1206 3.143,1207 4.681,1208 3.164,1209 3.299,1210 3.337,1211 3.146,1212 3.123,1213 4.386,1214 3.089,1215 3.194,1216 3.269,1217 3.04,1218 3.039,1219 4.212,1220 3.025,1221 0.125,1222 0.1,1223 0.184,1224 0.112,1225 0.087,1226 4.737,1227 0.124,1228 3.802,1229 0.044,1230 6.977,1231 0.311,1232 4.267,1233 0.084,1234 3.297,1235 4.713,1236 1.656,1237 11.828,1238 3.202,1239 1.966,1240 1.947,1241 2.045,1242 2.049,1243 1.247,1244 2.047,1245 1.914,1246 1.885,1247 2.03,1248 2.009,1249 1.172,1250 2.016,1251 1.859,1252 1.837,1253 1.997,1254 1.958,1255 1.131,1256 1.974,1257 1.738,1258 1.69,1259 1.851,1260 1.886,1261 1.001,1262 1.89,1263 1.421,1264 1.405,1265 1.725,1266 1.616,1267 0.869,1268 1.638,1269 1.351,1270 1.256,1271 1.561,1272 1.584,1273 0.647,1274 1.59,1275 1.276,1276 1.222,1277 1.466,1278 1.441,1279 0.611,1280 1.477,1281 1.151,1282 1.087,1283 1.374,1284 1.385,1285 0.354,1286 1.407,1287 4.344,1289 5.68,1290 2.398,1291 7.207,1292 4.727,1293 8.817,1294 6.88,1295 10.471,1297 6.071,1301 12.642,1303 1.558,1305 5.714,1310 -0.512,1313 6.465,1314 41.33,1315 96.903,1316 253.165,1317 310.98,1318 332.98,1319 337.735,1320 339.735,1321 67.185,1322 8.216,1323 106.06,1324 134.3,1325 23,1326 12.8,1327 4.644,1328 3.907,1329 59.813,1330 181,1331 177,1332 0.159,1333 260.825,1334 447.9,1335 628.173,1336 48334,1338 25.001,1339 0.714,1340 0.598,1341 25.355,1342 20.923,1343 16.814,1344 0.442,1345 0.327,1346 11.539,1347 16.03,1348 11.051,1349 9.288,1350 17.268,1351 12.424,1352 15.349,1353 0.284,1354 0.175,1355 15.873,1356 9.429,1357 12.917,1358 0.185,1359 0.101,1360 13.636,1361 7.075,1362 10.271,1363 0.115,1364 0.054,1365 11.213,1366 4.79,1367 7.953,1368 0.072,1369 0.027,1370 8.768,1371 2.985,1372 0.257,1373 107.811,1374 0.201,1375 32.752,1376 0.418,1377 184,1378 461.531,1379 216.934,1380 489.117,1381 679.23,1382 456,1383 216,1384 497.698,1385 247.035,1386 529.241,1387 770.09,1388 497,1389 5.2}
{0 CHEMBL1983111,1 1.774,2 13.235,3 3.237,4 10.476,5 120.65,6 8.043,7 0.316,8 4.206,9 4.332,10 3.823,11 3.691,12 5.321,13 3.704,14 4.804,15 4.982,16 4.279,17 4.103,18 6.291,19 4.095,20 5.031,21 5.255,22 4.23,23 4.203,24 6.147,25 4.167,26 5.049,27 5.268,28 4.317,29 4.175,30 6.402,31 4.154,32 5.011,33 5.234,34 4.195,35 4.149,36 6.231,37 4.115,38 5.001,39 5.224,40 4.197,41 4.117,42 6.215,43 4.093,44 5.018,45 5.255,46 4.103,47 4.055,48 6.272,49 4.035,50 4.878,51 5.114,52 3.942,53 3.975,54 6.096,55 3.925,56 0.189,57 1.145,58 10.785,59 5.168,60 30.111,61 6.425,62 1.046,63 2.123,64 24.07,65 9.102,66 156.709,67 11.846,68 0.848,69 1.969,70 33.25,71 10.582,72 100.294,73 14.773,74 1.283,75 2.082,76 34.812,77 10.471,78 146.627,79 14.609,80 0.954,81 1.932,82 33.195,83 10.496,84 135.012,85 14.286,86 1.003,87 2.022,88 33.04,89 10.073,90 124.043,91 13.544,92 1.254,93 2.011,94 36.308,95 10.464,96 173.756,97 12.671,98 0.887,99 1.701,100 30.556,101 9.652,102 109.704,103 12.418,104 44,105 57,106 0.288,107 0.616,108 0.782,109 0.853,110 0.859,111 0.87,112 3.561,113 0.898,114 -4.82,115 -4.73,116 -4.44,119 39,120 1,121 5,125 1,127 3,132 1,142 3,143 3,144 1,145 1,147 1,150 1,158 2,172 7,174 2,175 7,178 4,180 6,183 7,188 2,191 2,193 3,196 6,200 11,203 1,204 1,205 2,208 5,212 2,213 9,216 1,218 5,221 2,225 5,230 7,233 2,237 2,238 7,241 1,243 4,246 6,250 4,254 1,255 1,258 7,263 2,264 2,267 1,269 1,272 8,276 2046,277 22.436,278 22.436,279 22.436,280 22.436,281 22.436,282 20.738,283 36.698,284 12.844,285 23.008,286 18.798,287 18.798,288 18.798,289 18.798,290 18.798,291 16.025,292 62.329,293 6.149,294 19.831,295 4.109,296 2.096,297 1.076,298 0.636,299 0.602,300 0.534,301 4.258,305 1,306 1,307 981,308 4.583,310 78.811,311 156.246,312 288.237,315 136.071,316 148.934,319 2.131,320 58.273,323 1,324 0.83,325 1,326 1,327 0.5,328 1,329 1,330 0.9,331 77.5,332 450,333 4.59,334 4.47,335 7.25,336 4.388,337 3.419,338 4.092,339 3.825,340 12.537,341 3.314,342 4.554,343 3.916,344 7.155,345 4.258,346 3.384,347 4.044,348 1.999,349 12.255,350 2.989,351 3.991,352 3.52,353 6.042,354 3.655,355 2.73,356 3.3,357 1.897,358 8.529,359 2.573,360 3.84,361 3.344,362 5.794,363 3.586,364 2.624,365 3.112,366 0.847,367 8.132,368 2.504,369 3.642,370 2.969,371 5.657,372 3.432,373 2.474,374 2.823,375 0.4,376 7.401,377 2.348,378 3.545,379 2.742,380 5.476,381 3.236,382 2.266,383 2.674,384 0.4,385 7.072,386 2.178,387 3.451,388 2.464,389 5.251,390 3.113,391 2.125,392 2.617,393 0.359,394 6.538,395 2.055,396 3.173,397 2.379,398 4.945,399 3,400 2.015,401 2.297,402 0.229,403 5.623,404 1.98,405 3.168,406 2.16,407 4.798,408 2.819,409 1.874,410 2.296,412 5.249,413 1.743,414 2.885,415 1.86,416 4.553,417 2.599,418 1.612,419 1.926,421 4.535,422 1.578,423 2.704,424 1.479,425 4.155,426 2.221,427 1.301,428 1.781,430 3.499,431 1.182,432 2.31,433 1.438,434 3.794,435 1.959,436 0.967,437 1.26,439 2.55,440 0.958,441 1.953,442 1.139,443 3.673,444 1.873,445 0.903,446 0.926,448 2.283,449 0.872,450 1.827,451 1.008,452 3.246,453 1.716,454 0.756,455 0.796,457 1.757,458 0.723,459 1.665,460 0.859,461 3.108,462 1.33,463 0.323,464 0.382,466 0.708,467 0.319,468 15.424,469 0.454,470 1.141,471 0.034,472 39.5,473 1.162,474 16,475 0.471,476 23.5,477 0.691,478 33.074,479 0.973,480 38.576,481 0.654,482 33.957,483 0.999,484 7.4,485 0.218,486 8.803,487 0.259,488 0.131,489 0.032,490 0.383,493 3,496 0.617,497 1.172,498 0.681,499 1.136,500 0.544,501 0.971,502 0.414,503 0.874,504 0.728,505 1.073,506 0.349,507 1.026,508 0.75,509 0.901,510 0.89,511 0.973,512 0.665,513 0.971,514 0.761,515 0.763,516 0.882,517 0.962,518 0.844,519 0.974,520 0.836,521 0.982,522 0.937,523 1.018,524 0.787,525 1.008,526 0.964,527 1.016,528 0.993,529 1.03,530 0.955,531 1.019,532 1.458,533 1.133,534 1.236,535 0.933,536 1.437,537 0.977,538 1.099,539 0.998,540 1.086,541 0.986,542 1.035,543 1.017,544 8.5,545 0.277,546 3.889,547 3.257,548 2.175,549 1.351,550 0.917,551 0.808,552 0.358,553 0.318,554 17398,555 54812,556 2.084,557 42.4,558 2,559 8,561 1,562 3,563 3,564 8,567 1.76,568 1.915,569 3.641,570 0.899,572 1,577 104.673,578 1.774,579 3.786,580 4.807,581 5.247,582 5.281,583 5.349,584 3.12,585 4.712,586 5.057,587 3.868,588 2169.88,589 8.867,590 33340.5,595 347.076,596 1.642,597 4.997,598 0.224,599 0.009,600 0.071,601 0.061,602 0.04,603 0.027,604 0.019,605 0.018,606 0.009,607 0.009,608 0.487,609 0.17,610 0.75,611 1.281,612 182.849,613 -0.06,614 -0.132,615 0.031,616 -0.024,617 -0.049,618 0.026,619 0.359,620 0.172,621 0.116,622 -0.035,623 0.361,624 -0.05,625 -0.062,626 -0.099,627 0.008,628 -0.009,629 -0.024,630 0.018,631 0.156,632 0.184,633 0.065,634 0.004,635 0.056,636 -0.011,637 -0.037,638 -0.112,639 -0.011,640 -0.046,641 -0.01,642 -0.023,643 -0.061,644 -0.062,645 -0.046,646 -0.061,647 -0.081,648 -0.051,649 -0.249,650 0.017,651 -0.201,652 0.039,653 -0.232,654 -0.031,655 -0.16,656 -0.039,657 -0.111,658 0.003,659 -0.098,660 -0.023,661 5.801,662 5.7,663 0.618,664 39.962,665 1.026,666 1.152,667 3.586,668 12.857,669 0.646,670 3.664,671 4.06,672 4.344,673 4.654,674 4.905,675 5.088,676 5.242,677 5.421,678 5.489,679 5.617,680 7.803,681 0.636,682 474.54,683 3.664,684 5.252,685 6.125,686 7.047,687 7.943,688 8.872,689 9.781,690 10.714,691 11.63,692 12.566,693 10.2,698 1,700 2,701 1,703 2,709 4,710 2,714 6,716 12,728 2,735 59,737 14,738 1,739 38,741 63,742 23,743 10,744 3,745 3,748 5,749 8,754 2,757 8,759 1,760 8,762 12,763 11,767 2,772 2,776 2,780 1,781 3,783 25,784 11,785 3,786 11,792 6,797 0.6,798 2,810 1,812 1,814 1,815 2,816 3,819 1,820 1,829 1,830 1,843 3,847 1,849 3,851 34,858 6,860 3,863 3,864 1,865 1,873 3,874 3.4,877 2,881 17.75,882 10.695,883 7.111,884 3.722,886 2.493,887 1.292,888 0.995,889 5.991,890 11.043,891 3.85,892 4.419,893 4.909,894 5.45,895 5.979,896 6.276,897 6.631,898 7.037,899 7.35,900 7.701,901 0.889,902 53,903 13.213,905 6.401,906 8.179,907 23.7,909 20.562,911 2.679,912 91.083,916 258.964,917 94.789,918 90.728,920 50.29,921 44.88,923 94.789,924 309.254,925 135.608,926 8.825,927 35.913,928 28.429,929 123.052,930 84.252,931 4.227,932 247.193,933 7.76,934 258.964,935 185.517,936 95.17,939 164.795,940 189.339,943 81.455,944 52.479,945 51.582,947 303.845,948 141.017,949 94.789,952 266.724,953 40.728,954 49.426,955 54.032,956 128.741,957 258.964,958 185.898,959 94.789,961 0.6,962 0.335,963 0.175,964 0.099,965 30,966 14,967 0.095,968 6,969 3,970 1.238,971 4.452,972 330.398,973 0.286,974 20,975 166.219,981 23.072,982 8.829,983 4.526,985 185.898,986 6.444,987 8.015,991 1.649,993 54.032,994 539.651,995 46,1000 23.889,1004 -0.391,1007 60.523,1008 67.995,1009 0.302,1010 0.644,1011 0.817,1012 0.892,1013 0.898,1014 0.909,1015 5.159,1016 2.015,1017 6.168,1018 6.538,1019 4.745,1020 5.106,1021 3.579,1022 7.062,1023 4.643,1024 6.372,1025 1.874,1026 7.781,1027 5.623,1028 4.575,1029 5.037,1030 4.057,1031 8.239,1032 4.357,1033 7.705,1034 1.612,1035 9.502,1036 5.249,1037 6.466,1038 7.21,1039 5.58,1040 11.334,1041 6.245,1042 9.066,1043 1.301,1044 11.288,1045 4.535,1046 7.074,1047 7.887,1048 6.743,1049 13.338,1050 6.733,1051 10.458,1052 0.967,1053 13.117,1054 3.499,1055 8.507,1056 9.622,1057 8.098,1058 16.026,1059 8.148,1060 11.871,1061 0.903,1062 14.977,1063 2.55,1064 9.46,1065 10.645,1066 9.404,1067 18.355,1068 8.997,1069 13.303,1070 0.756,1071 16.861,1072 2.283,1073 10.739,1074 12.209,1075 10.744,1076 20.924,1077 10.24,1078 3.419,1079 0.323,1080 18.762,1081 1.757,1082 11.844,1083 13.409,1084 12.079,1085 23.374,1086 11.263,1087 3.384,1088 12.537,1089 20.678,1090 0.708,1091 13.074,1092 14.892,1093 13.419,1094 25.908,1095 12.448,1096 2.73,1097 12.255,1098 22.606,1099 4.092,1100 14.245,1101 16.185,1102 14.759,1103 28.402,1104 13.553,1105 2.624,1106 8.529,1107 24.544,1108 4.044,1109 15.463,1110 17.63,1111 16.1,1112 30.924,1113 14.724,1114 2.474,1115 8.132,1116 26.489,1117 3.3,1118 16.662,1119 18.973,1120 17.442,1121 33.434,1122 15.868,1123 2.266,1124 7.401,1125 28.439,1126 3.112,1127 17.879,1128 20.398,1129 18.783,1130 35.954,1131 17.039,1132 2.125,1133 7.072,1134 30.395,1135 2.823,1136 19.09,1137 21.768,1138 20.125,1139 38.47,1140 18.202,1141 16434,1142 29382,1143 24.967,1144 38.131,1145 58.681,1146 58.988,1147 59.795,1148 58.153,1149 57.85,1150 69.026,1151 19.914,1152 178.197,1153 54.921,1154 5.59,1155 6.47,1156 6.868,1157 5.46,1158 5.419,1159 7.092,1160 5.335,1161 20.078,1162 5.314,1163 19.624,1164 1.544,1165 1.552,1166 1.574,1167 1.53,1168 1.522,1169 1.816,1170 0.524,1171 4.689,1172 1.445,1173 4.106,1174 4.143,1175 4.054,1176 4.017,1177 8.513,1178 4.02,1179 3.946,1180 4,1181 3.904,1182 3.794,1183 7.999,1184 3.805,1185 3.796,1186 3.852,1187 3.69,1188 3.645,1189 7.999,1190 3.656,1191 3.687,1192 3.733,1193 3.614,1194 3.508,1195 7.434,1196 3.522,1197 3.577,1198 3.63,1199 3.488,1200 3.384,1201 7.423,1202 3.401,1203 3.318,1204 3.363,1205 3.305,1206 3.093,1207 4.993,1208 3.108,1209 3.277,1210 3.335,1211 3.189,1212 2.959,1213 4.728,1214 3.014,1215 2.989,1216 3.072,1217 2.884,1218 2.833,1219 4.356,1220 2.832,1221 0.121,1222 0.118,1223 0.191,1224 0.115,1225 0.09,1226 4.59,1227 0.108,1228 4.47,1229 0.101,1230 7.25,1231 0.33,1232 4.388,1233 0.087,1234 3.419,1235 4.092,1236 3.825,1237 12.537,1238 3.314,1239 1.951,1240 1.924,1241 2.092,1242 2.079,1243 1.477,1244 2.077,1245 1.891,1246 1.839,1247 2.053,1248 2.019,1249 1.362,1250 2.034,1251 1.728,1252 1.685,1253 1.807,1254 1.907,1255 0.985,1256 1.887,1257 1.614,1258 1.564,1259 1.797,1260 1.879,1261 0.957,1262 1.852,1263 1.492,1264 1.435,1265 1.713,1266 1.661,1267 0.849,1268 1.679,1269 1.41,1270 1.358,1271 1.63,1272 1.657,1273 0.794,1274 1.647,1275 1.137,1276 1.07,1277 1.427,1278 1.418,1279 0.636,1280 1.396,1281 1.048,1282 0.989,1283 1.174,1284 1.363,1285 0.325,1286 1.315,1287 4.344,1289 5.746,1290 3.045,1291 7.317,1292 5.533,1293 8.969,1294 7.758,1295 10.672,1297 1.37,1299 40.263,1303 4.241,1305 8.471,1308 -0.135,1309 1.819,1310 -4.551,1314 37.503,1315 104.673,1316 223.388,1317 283.592,1318 309.566,1319 311.566,1320 315.566,1321 81.555,1322 8.55,1323 99.25,1324 99.25,1325 26,1326 13.068,1327 3.907,1328 3.17,1329 50.103,1330 161,1331 161,1332 0.153,1333 223.361,1334 403.53,1335 536.761,1336 66011,1337 5.1,1338 24.035,1339 0.707,1340 0.546,1341 21.535,1342 18.576,1343 16.203,1344 0.426,1345 0.299,1346 11.163,1347 15.351,1348 11.019,1349 8.984,1350 14.991,1351 11.377,1352 16.118,1353 0.283,1354 0.158,1355 14.122,1356 9.014,1357 12.573,1358 0.165,1359 0.089,1360 11.841,1361 6.763,1362 10.677,1363 0.103,1364 0.046,1365 9.756,1366 4.736,1367 8.727,1368 0.065,1369 0.025,1370 8.379,1371 3.317,1372 0.243,1373 103.253,1374 0.2,1375 31.491,1376 0.412,1377 190,1378 729.738,1379 224.351,1380 618.866,1381 814.88,1382 574,1383 228,1384 579.991,1385 255.204,1386 562.019,1387 850.45,1388 530,1389 7.3}
{0 CHEMBL1983195,1 1.597,2 10.321,3 3.998,4 15.986,5 102.809,6 7.843,7 0.677,8 3.99,9 4.097,10 3.607,11 3.508,12 5.145,13 3.515,14 4.496,15 4.656,16 3.961,17 3.857,18 5.634,19 3.853,20 4.673,21 4.877,22 3.975,23 3.916,24 5.764,25 3.897,26 4.674,27 4.849,28 4.035,29 3.945,30 5.901,31 3.938,32 4.778,33 4.981,34 4.007,35 3.995,36 5.932,37 3.969,38 4.703,39 4.89,40 3.953,41 4,42 5.798,43 3.952,44 4.686,45 4.881,46 3.758,47 3.962,48 5.719,49 3.859,50 4.618,51 4.885,52 3.458,53 3.71,54 5.513,55 3.573,56 0.052,57 0.711,58 8.872,59 4.121,60 6.84,61 5.052,62 0.294,63 1.122,64 17.22,65 6.53,66 21.807,67 8.408,68 0.469,69 1.294,70 22.885,71 7.376,72 37.219,73 9.885,74 0.414,75 1.306,76 21.585,77 7.375,78 46.157,79 9.483,80 0.597,81 1.371,82 26.087,83 8.409,84 64.076,85 10.797,86 0.369,87 1.264,88 22.935,89 9.017,90 38.501,91 11.485,92 0.374,93 1.237,94 22.528,95 9.407,96 35.297,97 12.296,98 0.318,99 1.126,100 23.719,101 8.301,102 32.132,103 12.047,104 17,105 43,106 0.268,107 0.596,108 0.709,109 0.77,110 0.777,111 0.784,112 3.375,113 0.885,114 -2.64,115 -2.66,116 -2.58,119 43.8,120 2,125 2,142 7,144 1,146 4,151 2,152 2,159 1,172 3,174 1,175 8,178 2,180 2,183 1,187 3,188 5,193 1,196 1,199 2,200 11,203 1,205 2,208 1,212 1,213 8,216 1,221 3,224 2,225 5,233 11,237 2,238 1,241 1,243 1,246 7,250 2,253 1,255 2,258 1,263 2,264 4,269 1,276 1178,277 19.394,278 19.394,279 19.394,280 19.394,281 19.394,282 16.908,283 12.346,284 11.421,285 19.715,286 15.196,287 15.196,288 15.196,289 15.196,290 15.196,291 11.405,292 15.857,293 5.256,294 15.641,295 3.988,296 2.029,297 1.358,298 0.99,299 0.948,300 0.906,301 4.07,304 1,305 1,306 1,307 625,308 3.536,311 140.598,312 146.974,316 125.089,319 1.727,320 26.545,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 61,332 289,333 4.602,334 3.684,335 6.737,336 4.169,337 3.198,338 4.497,339 1.701,340 11.044,341 3.106,342 4.218,343 3.198,344 6.131,345 3.815,346 2.848,347 3.886,348 0.563,349 9.041,350 2.758,351 3.954,352 2.793,353 6.012,354 3.661,355 2.699,356 3.518,357 0.075,358 8.49,359 2.577,360 3.941,361 2.542,362 5.781,363 3.536,364 2.542,365 3.213,367 7.865,368 2.526,369 3.54,370 2.348,371 5.237,372 3.146,373 2.187,374 2.891,376 6.561,377 2.095,378 3.301,379 2.197,380 4.707,381 2.818,382 1.832,383 2.653,385 4.88,386 1.804,387 3.147,388 1.834,389 4.532,390 2.615,391 1.66,392 2.458,394 4.643,395 1.583,396 2.67,397 1.66,398 4.026,399 2.338,400 1.344,401 1.736,403 3.23,404 1.32,405 2.635,406 1.233,407 3.809,408 2.226,409 1.231,410 1.584,412 2.896,413 1.224,414 2.298,415 0.83,416 3.271,417 1.802,418 0.812,419 1.199,421 1.958,422 0.803,423 2.166,424 0.744,425 3.254,426 1.638,427 0.674,428 1,430 1.701,431 0.648,432 2.118,433 0.734,434 3,435 1.618,436 0.618,437 0.927,439 1.372,440 0.618,441 2.118,442 0.618,443 3,444 1.618,445 0.618,446 0.927,448 1.372,449 0.618,450 1.618,451 0.618,452 2.831,453 1.591,454 0.618,455 0.618,457 0.791,458 0.6,459 1.378,460 0.489,461 2.653,462 0.973,463 0.007,464 0.009,466 0.017,467 0.007,468 13.1,469 0.468,470 0.568,471 0.02,472 39,473 1.393,474 20,475 0.714,476 19,477 0.679,478 20.825,479 0.744,480 29.5,481 0.615,482 29.514,483 1.054,484 7.815,485 0.279,486 5.875,487 0.21,488 0.102,490 0.336,496 0.83,497 1.397,498 0.721,499 1.133,500 0.634,501 0.942,502 0.901,503 1.172,504 0.782,505 0.978,506 0.62,507 0.874,508 1.078,509 0.978,510 0.875,511 0.787,512 0.964,513 0.778,514 1.16,515 1.154,516 0.954,517 0.994,518 1.494,519 0.935,520 1.325,521 0.803,522 0.999,523 0.753,524 1.809,525 0.789,526 1.017,527 0.908,528 0.934,529 0.996,530 0.778,531 0.962,532 0.782,533 1.099,534 1.121,535 1.239,536 0.664,537 1.264,538 0.599,539 1.111,540 0.953,541 1.108,542 0.639,543 1.1,544 5,545 0.17,546 3.111,547 1.493,548 1.618,549 0.847,550 0.604,551 0.37,552 0.255,553 0.211,554 9423,555 25383,556 2.115,557 41.7,559 11,560 2,562 1,564 6,567 1.714,568 2,569 3.333,570 -0.323,572 1,577 76.646,578 1.597,579 3.556,580 4.227,581 4.595,582 4.637,583 4.679,584 2.758,585 4.307,586 4.775,587 3.526,588 1333,589 8.324,590 17372,592 1,594 1,595 268.078,596 1.333,597 4.748,598 0.161,599 0.008,600 0.072,601 0.035,602 0.036,603 0.019,604 0.014,605 0.011,606 0.011,607 0.011,608 0.379,609 0.33,610 1,611 1.304,612 139.505,613 -0.047,614 -0.255,615 0.065,616 -0.123,617 -0.053,618 -0.027,619 0.065,620 -0.078,621 0.113,622 -0.013,623 0.089,624 0.043,625 -0.037,626 0.088,627 0.096,628 0.143,629 -0.004,630 0.146,631 -0.047,632 -0.068,633 -0.016,634 -0.061,635 -0.035,636 -0.036,637 -0.126,638 0.222,639 -0.004,640 0.189,641 -0.215,642 0.139,643 -0.032,644 0.074,645 0.007,646 0.014,647 0.033,648 0.018,649 0.037,650 -0.147,651 -0.196,652 -0.208,653 -0.016,654 -0.252,655 0.083,656 -0.192,657 0.061,658 -0.119,659 0.031,660 -0.051,661 1.809,662 5.325,663 0.714,664 27.643,665 1.01,666 1.124,667 1.405,668 1.975,669 0.677,670 3.466,671 3.784,672 4.094,673 4.369,674 4.554,675 4.762,676 4.956,677 5.13,678 5.247,679 5.252,680 6.344,681 0.655,682 376.45,683 3.466,684 5.004,685 5.866,686 6.749,687 7.63,688 8.522,689 9.412,690 10.309,691 11.205,692 12.106,693 8.3,700 2,703 2,708 2,709 9,710 2,712 2,714 5,716 21,735 48,737 22,738 1,739 31,741 51,742 21,743 16,744 3,745 3,748 4,749 5,753 1,754 2,762 17,763 4,767 1,772 1,776 1,780 1,782 2,783 20,784 7,785 1,786 7,792 4,797 0.75,798 3,806 1,815 2,816 2,820 1,843 3,847 2,851 28,858 2,860 1,864 1,874 6.3,877 1,879 2,881 14,882 9.35,883 6.306,884 3.117,886 3.634,887 1.481,888 0.999,889 5.241,890 11.183,891 3.773,892 4.394,893 5.034,894 5.678,895 6.205,896 6.738,897 7.288,898 7.806,899 8.252,900 8.507,901 0.857,902 43,903 10.319,905 4.358,906 7.744,907 19.549,909 15.689,911 2.244,912 62.833,915 1,916 223.651,917 139.407,918 54.706,920 44.16,923 139.407,924 267.811,925 54.706,926 17.65,927 25.346,928 89.813,929 58.716,930 31.573,931 38.716,932 200.109,934 223.651,935 194.113,936 44.16,939 153.024,940 114.786,943 52.799,944 107.743,945 33.571,947 223.651,948 98.866,949 139.407,952 223.651,953 31.943,954 110.587,955 18.011,956 77.731,957 223.651,958 98.866,959 139.407,961 0.573,962 0.351,963 0.192,964 0.089,965 21,966 9,967 0.098,968 5,969 1,970 1.1,971 3.935,972 249.147,973 0.1,974 20,975 130.606,981 18.417,982 7.967,983 3.73,984 1.349,985 98.866,986 15.909,987 9.468,989 11.07,991 3.056,993 18.011,994 461.923,995 42.5,1000 12.325,1004 -0.143,1007 48.458,1008 53.943,1009 0.286,1010 0.637,1011 0.757,1012 0.823,1013 0.83,1014 0.838,1015 4.992,1016 1.344,1017 5.844,1018 4.643,1019 4.466,1020 5.081,1021 1.863,1022 6.666,1023 4.41,1024 6.202,1025 1.231,1026 7.407,1027 3.23,1028 4.007,1029 4.844,1030 1.305,1031 7.582,1032 3.916,1033 7.511,1034 0.812,1035 9.071,1036 2.896,1037 6.066,1038 7.321,1039 2.511,1040 10.695,1041 5.948,1042 8.861,1043 0.674,1044 10.795,1045 1.958,1046 6.479,1047 7.977,1048 2.473,1049 12.441,1050 6.326,1051 10.243,1052 0.618,1053 12.558,1054 1.701,1055 7.95,1056 9.852,1057 3.388,1058 15.061,1059 7.77,1060 11.648,1061 0.618,1062 14.346,1063 1.372,1064 8.746,1065 10.926,1066 3.608,1067 17.152,1068 8.534,1069 13.071,1070 0.618,1071 16.152,1072 1.372,1073 9.998,1074 12.565,1075 4.358,1076 19.609,1077 9.758,1078 3.198,1079 0.007,1080 17.971,1081 0.791,1082 10.971,1083 13.848,1084 4.717,1085 21.857,1086 10.699,1087 2.848,1088 11.044,1089 19.801,1090 0.017,1091 12.14,1092 15.39,1093 5.372,1094 24.26,1095 11.84,1096 2.699,1097 9.041,1098 21.64,1099 4.497,1100 13.197,1101 16.777,1102 5.808,1103 26.583,1104 12.866,1105 2.542,1106 8.49,1107 23.486,1108 3.886,1109 14.338,1110 18.283,1111 6.409,1112 28.973,1113 13.979,1114 2.187,1115 7.865,1116 25.337,1117 3.518,1118 15.436,1119 19.723,1120 6.887,1121 31.332,1122 15.046,1123 1.832,1124 6.561,1125 27.195,1126 3.213,1127 16.571,1128 21.217,1129 7.458,1130 33.72,1131 16.153,1132 1.66,1133 4.88,1134 29.056,1135 2.891,1136 17.69,1137 22.683,1138 7.96,1139 36.099,1140 17.243,1141 9072,1142 15081,1143 20.978,1144 32.478,1145 46.279,1146 46.789,1147 46.977,1148 45.815,1149 45.78,1150 62.234,1151 4.68,1152 131.721,1153 44.574,1154 5.467,1155 5.684,1156 6.355,1157 5.241,1158 5.198,1159 7.497,1160 2.972,1161 18.222,1162 5.106,1163 12.198,1164 1.493,1165 1.509,1166 1.515,1167 1.478,1168 1.477,1169 2.008,1170 0.151,1171 4.249,1172 1.438,1173 4.11,1174 4.135,1175 4.087,1176 3.994,1177 7.429,1178 4.013,1179 3.86,1180 3.879,1181 3.811,1182 3.735,1183 5.192,1184 3.75,1185 3.824,1186 3.83,1187 3.77,1188 3.663,1189 5.046,1190 3.685,1191 3.724,1192 3.79,1193 3.628,1194 3.502,1195 4.912,1196 3.518,1197 3.373,1198 3.429,1199 3.292,1200 3.204,1201 4.365,1202 3.22,1203 3.306,1204 3.407,1205 3.04,1206 3.123,1207 4.217,1208 3.089,1209 3.137,1210 3.182,1211 3.034,1212 2.914,1213 4.083,1214 2.939,1215 2.924,1216 2.982,1217 2.839,1218 2.762,1219 3.892,1220 2.772,1221 0.148,1222 0.119,1223 0.217,1224 0.134,1225 0.103,1226 4.602,1227 0.145,1228 3.684,1229 0.055,1230 6.737,1231 0.356,1232 4.169,1233 0.1,1234 3.198,1235 4.497,1236 1.701,1237 11.044,1238 3.106,1239 2.005,1240 1.978,1241 2.059,1242 2.124,1243 1.16,1244 2.105,1245 1.674,1246 1.62,1247 1.913,1248 1.916,1249 1.109,1250 1.913,1251 1.599,1252 1.558,1253 1.725,1254 1.727,1255 0.869,1256 1.717,1257 1.464,1258 1.426,1259 1.712,1260 1.587,1261 0.826,1262 1.638,1263 1.393,1264 1.363,1265 1.644,1266 1.586,1267 0.689,1268 1.604,1269 1.351,1270 1.256,1271 1.545,1272 1.584,1273 0.537,1274 1.583,1275 1.195,1276 1.2,1277 1.314,1278 1.49,1279 0.3,1280 1.429,1281 1.132,1282 1.09,1283 1.291,1284 1.436,1285 0.253,1286 1.397,1287 4.143,1289 5.46,1290 3.045,1291 6.971,1292 5.13,1293 8.577,1294 6.986,1295 10.238,1297 3.89,1303 1.287,1305 2.91,1309 1.712,1314 31.444,1315 76.646,1316 170.678,1317 202.917,1318 220.568,1319 222.568,1320 224.568,1321 42.06,1322 7.549,1323 84.4,1324 84.4,1325 22,1326 12.628,1327 4.524,1328 3.644,1329 42.305,1330 107,1331 106,1332 0.197,1333 192.528,1334 322.79,1335 461.528,1336 17521,1338 19.51,1339 0.697,1340 0.56,1341 19.51,1342 15.677,1343 13.69,1344 0.442,1345 0.295,1346 8.998,1347 13.062,1348 8.794,1349 7.32,1350 13.69,1351 9.147,1352 11.877,1353 0.276,1354 0.144,1355 11.877,1356 6.181,1357 10.517,1358 0.178,1359 0.076,1360 10.517,1361 4.475,1362 8.953,1363 0.115,1364 0.039,1365 8.953,1366 3.016,1367 6.216,1368 0.066,1369 0.018,1370 6.216,1371 1.671,1372 0.306,1373 86.335,1374 0.218,1375 26.491,1376 0.554,1377 148,1378 466.475,1379 166.042,1380 443.801,1381 618.33,1382 418,1383 176,1384 472.068,1385 194.794,1386 470.496,1387 694.42,1388 445,1389 5.1}
{0 CHEMBL1983268,1 1.615,2 14.756,3 4.675,4 21.857,5 157.65,6 7.476,7 0.478,8 4.426,9 4.554,10 3.997,11 3.94,12 5.502,13 3.929,14 5,15 5.18,16 4.369,17 4.358,18 6.061,19 4.328,20 5.282,21 5.499,22 4.413,23 4.523,24 6.293,25 4.452,26 5.362,27 5.615,28 4.388,29 4.523,30 6.426,31 4.418,32 5.306,33 5.556,34 4.337,35 4.479,36 6.313,37 4.392,38 5.227,39 5.444,40 4.432,41 4.485,42 6.278,43 4.424,44 5.31,45 5.525,46 4.474,47 4.498,48 6.411,49 4.451,50 5.354,51 5.583,52 4.408,53 4.484,54 6.42,55 4.417,56 0.096,57 1.279,58 15.458,59 6.838,60 11.137,61 8.879,62 0.402,63 2.076,64 30.757,65 11.357,66 36.362,67 15.295,68 0.626,69 2.575,70 43.522,71 15.372,72 64.421,73 20.85,74 0.861,75 2.667,76 49.415,77 17.33,78 111.566,79 24.784,80 0.723,81 2.417,82 47.352,83 16.21,84 96.306,85 22.522,86 0.501,87 2.388,88 40.616,89 14.54,90 55.058,91 20.294,92 0.683,93 2.577,94 45.357,95 14.873,96 86.373,97 20.177,98 0.989,99 2.526,100 48.907,101 15.087,102 109.564,103 21.014,104 17,105 65,106 0.248,107 0.587,108 0.768,109 0.843,110 0.843,111 0.843,112 3.742,113 0.917,114 -4.85,115 -4.76,116 -4.47,119 41.3,121 3,124 1,125 6,127 1,142 9,143 4,144 4,146 1,153 1,158 1,168 1,172 10,175 7,178 1,179 1,180 7,183 16,187 1,188 4,191 1,193 5,196 10,200 5,203 4,204 1,205 8,208 12,212 1,213 5,218 4,221 9,224 1,225 11,228 1,229 1,230 7,233 9,238 8,241 2,243 5,246 8,249 2,250 3,253 2,255 4,258 9,263 2,264 8,267 1,269 4,272 9,276 3694,277 27.858,278 27.858,279 27.858,280 27.858,281 27.858,282 25.137,283 43.958,284 16.395,285 28.521,286 22.774,287 22.774,288 22.774,289 22.774,290 22.774,291 18.529,292 71.325,293 7.903,294 23.823,295 4.614,296 2.399,297 1.217,298 0.73,299 0.73,300 0.73,301 4.456,306 1,307 1338,308 3.536,311 99.945,312 676.821,315 181.402,319 2.213,320 48.85,323 0.75,324 0.67,325 0.83,326 0.7,327 0.5,328 0.83,329 1,330 0.75,331 90,332 605,333 4.563,334 3.613,335 6.578,336 4.112,337 3.134,338 4.507,339 1.058,340 10.47,341 3.065,342 4.394,343 3.199,344 6.473,345 4.017,346 3.038,347 4.03,348 0.86,349 10.092,350 2.978,351 4.174,352 3.152,353 6.107,354 3.762,355 2.793,356 3.818,357 0.8,358 8.912,359 2.706,360 3.938,361 3.084,362 5.727,363 3.704,364 2.756,365 3.235,366 0.8,367 8.13,368 2.605,369 3.718,370 2.844,371 5.442,372 3.469,373 2.5,374 3.122,375 0.68,376 7.184,377 2.414,378 3.563,379 2.729,380 5.306,381 3.338,382 2.367,383 2.737,384 0.4,385 6.845,386 2.29,387 3.41,388 2.635,389 5.16,390 3.229,391 2.293,392 2.561,394 6.235,395 2.144,396 3.326,397 2.592,398 5.046,399 2.988,400 2.036,401 2.481,403 6.034,404 1.93,405 3.232,406 2.443,407 4.843,408 2.793,409 1.879,410 2.456,412 5.21,413 1.76,414 3.195,415 2.127,416 4.73,417 2.787,418 1.818,419 2.418,421 5.138,422 1.683,423 3.107,424 2.036,425 4.618,426 2.711,427 1.742,428 2.209,430 4.963,431 1.678,432 2.766,433 1.931,434 4.277,435 2.43,436 1.501,437 1.852,439 3.899,440 1.396,441 2.693,442 1.558,443 4.16,444 2.252,445 1.332,446 1.758,448 3.507,449 1.232,450 2.499,451 1.381,452 3.858,453 2.217,454 1.252,455 1.471,457 3.007,458 1.178,459 2.423,460 1.282,461 3.578,462 2.077,463 1.083,464 1.42,466 2.821,467 1.07,468 19.138,469 0.467,470 1.023,471 0.025,472 50.25,473 1.226,474 23,475 0.561,476 27.25,477 0.665,478 40.827,479 0.996,480 45.062,481 0.601,482 44.067,483 1.075,484 9.97,485 0.243,486 9.937,487 0.242,488 0.073,490 0.355,494 2,496 0.668,497 1.157,498 0.755,499 1.098,500 0.52,501 0.971,502 0.867,503 1.038,504 0.887,505 0.977,506 0.538,507 0.937,508 0.989,509 1.03,510 1.068,511 1.056,512 0.853,513 1.07,514 0.54,515 0.875,516 0.851,517 1.018,518 0.535,519 1.007,520 0.924,521 0.87,522 0.901,523 0.877,524 1.032,525 0.882,526 0.725,527 0.963,528 0.88,529 1.028,530 0.686,531 0.989,532 1.147,533 1.068,534 1.043,535 1.045,536 1.165,537 1.019,538 1.111,539 0.937,540 1.095,541 0.961,542 1.204,543 1.007,544 9,545 0.303,546 4,547 2.917,548 1.968,549 1.514,550 1.135,551 0.683,552 0.576,553 0.417,554 29957,555 78395,556 2.147,557 45.3,558 2,559 25,562 3,565 4,567 1.809,568 2.033,569 3.822,570 0.74,577 121.098,578 1.615,579 3.83,580 5.012,581 5.499,582 5.499,583 5.499,584 3.264,585 4.87,586 5.327,587 4.028,588 3303.25,589 9.429,590 58779.8,595 467.161,596 1.325,597 5.3,598 0.196,599 0.006,600 0.062,601 0.045,602 0.032,603 0.025,604 0.017,605 0.01,606 0.009,607 0.007,608 0.408,609 0.17,610 0.75,611 0.458,612 233.542,613 -0.018,614 -0.082,615 0.055,616 -0.025,617 -0.014,618 0.02,619 -0.061,620 -0.04,621 0.005,622 0.029,623 0.049,624 0.031,625 -0.113,626 -0.036,627 -0.13,628 -0.062,629 -0.056,630 -0.092,631 0.177,632 -0.014,633 0.099,634 -0.032,635 0.181,636 0.004,637 -0.054,638 0.038,639 0.072,640 0.115,641 -0.065,642 0.123,643 0.004,644 -0.061,645 0.036,646 -0.04,647 0.022,648 -0.002,649 -0.127,650 -0.087,651 -0.077,652 -0.081,653 -0.093,654 -0.067,655 -0.081,656 -0.044,657 -0.11,658 -0.024,659 -0.11,660 -0.064,661 2.277,662 6.673,663 0.805,664 54.495,665 1.007,666 1.138,667 3.619,668 13.098,669 0.657,670 3.85,671 4.19,672 4.454,673 4.745,674 4.977,675 5.094,676 5.242,677 5.421,678 5.568,679 5.73,680 8.766,681 0.63,682 560.71,683 3.85,684 5.407,685 6.26,686 7.143,687 8.009,688 8.897,689 9.769,690 10.66,691 11.537,692 12.43,693 8,696 1,698 1,699 1,700 1,701 1,703 1,708 2,709 9,710 1,711 1,714 8,716 22,723 1,728 1,730 1,734 2,735 75,737 23,738 3,739 46,741 80,742 31,743 19,744 9,745 9,746 1,748 6,749 7,757 3,760 4,762 20,763 11,767 1,772 1,776 1,781 2,783 34,784 9,785 3,786 10,792 6,797 0.833,798 2,807 1,815 1,816 5,819 1,839 1,842 1,843 5,847 1,849 2,851 41,858 9,860 2,861 1,863 1,864 2,873 2,874 2.7,877 1,878 1,881 20.167,882 13.552,883 8.806,884 4.585,886 4.269,887 1.478,888 1.017,889 8.31,890 13.194,891 4.078,892 4.675,893 5.24,894 5.838,895 6.345,896 6.671,897 7.058,898 7.479,899 7.784,900 8.21,901 0.9,902 65,903 15.316,905 6.728,906 7.797,907 29.315,909 24.804,911 2.297,912 94.167,916 364.904,917 163.956,918 75.596,920 36.145,921 29.92,923 163.956,924 401.049,925 105.516,926 8.396,927 43.222,928 85.286,929 75.523,930 63.269,931 29.92,932 364.904,934 364.904,935 239.552,936 66.065,939 347.74,940 72.229,941 11,943 67.481,944 137.397,945 34.674,947 394.824,948 111.741,949 163.956,952 364.904,953 70.273,954 99.931,955 52.685,956 82.728,957 364.904,958 141.661,959 163.956,961 0.586,962 0.334,963 0.184,964 0.1,965 32,966 14,967 0.088,968 7,969 1,970 1.061,971 5.075,972 424.064,973 0.061,974 33,975 205.66,981 27.801,982 12.255,983 6.6,984 1.404,985 124.998,986 15.059,987 4.339,988 2.94,991 3.055,993 52.685,994 670.521,995 58,1000 13.673,1004 -0.257,1007 75.545,1008 85.316,1009 0.259,1010 0.615,1011 0.805,1012 0.883,1013 0.883,1014 0.883,1015 5.335,1016 2.036,1017 6.244,1018 6.235,1019 4.875,1020 5.364,1021 2.065,1022 7.041,1023 4.794,1024 6.53,1025 1.879,1026 7.79,1027 6.034,1028 4.443,1029 5.19,1030 0.57,1031 7.867,1032 4.319,1033 7.832,1034 1.818,1035 9.43,1036 5.21,1037 6.46,1038 7.544,1039 1.792,1040 10.964,1041 6.317,1042 9.166,1043 1.742,1044 11.124,1045 5.138,1046 6.815,1047 8.199,1048 0.479,1049 12.618,1050 6.642,1051 10.532,1052 1.501,1053 12.855,1054 4.963,1055 8.305,1056 10.05,1057 1.68,1058 15.221,1059 8.111,1060 11.92,1061 1.332,1062 14.612,1063 3.899,1064 9.039,1065 11.113,1066 0.346,1067 17.243,1068 8.823,1069 13.328,1070 1.252,1071 16.388,1072 3.507,1073 10.306,1074 12.752,1075 1.644,1076 19.667,1077 10.069,1078 3.134,1079 1.083,1080 18.18,1081 3.007,1082 11.231,1083 14.022,1084 0.237,1085 21.856,1086 10.975,1087 3.038,1088 10.47,1089 19.985,1090 2.821,1091 12.401,1092 15.568,1093 1.653,1094 24.213,1095 12.124,1096 2.793,1097 10.092,1098 21.8,1099 4.507,1100 13.421,1101 16.943,1102 0.158,1103 26.476,1104 13.126,1105 2.756,1106 8.912,1107 23.624,1108 4.03,1109 14.553,1110 18.449,1111 1.692,1112 28.811,1113 14.237,1114 2.5,1115 8.13,1116 25.455,1117 3.818,1118 15.62,1119 19.879,1120 0.104,1121 31.109,1122 15.286,1123 2.367,1124 7.184,1125 27.292,1126 3.235,1127 16.738,1128 21.37,1129 1.751,1130 33.438,1131 16.385,1132 2.293,1133 6.845,1134 29.135,1135 3.122,1136 17.829,1137 22.828,1138 0.068,1139 35.752,1140 17.458,1141 27609,1142 45003,1143 31.323,1144 49.239,1145 69.245,1146 70.383,1147 70.481,1148 68.966,1149 68.764,1150 86.521,1151 9.197,1152 197.901,1153 65.789,1154 5.563,1155 5.613,1156 6.38,1157 5.186,1158 5.134,1159 7.507,1160 2.117,1161 17.453,1162 5.065,1163 18.154,1164 1.505,1165 1.53,1166 1.532,1167 1.499,1168 1.495,1169 1.881,1170 0.2,1171 4.302,1172 1.43,1173 4.129,1174 4.168,1175 4.094,1176 4.029,1177 8.211,1178 4.038,1179 3.987,1180 4.029,1181 3.933,1182 3.89,1183 8.191,1184 3.896,1185 3.912,1186 3.941,1187 3.876,1188 3.821,1189 7.429,1190 3.828,1191 3.804,1192 3.868,1193 3.681,1194 3.628,1195 5.082,1196 3.63,1197 3.735,1198 3.783,1199 3.625,1200 3.563,1201 4.741,1202 3.57,1203 3.49,1204 3.547,1205 3.419,1206 3.312,1207 4.597,1208 3.332,1209 3.291,1210 3.353,1211 3.223,1212 3.076,1213 4.534,1214 3.103,1215 3.152,1216 3.23,1217 3.014,1218 2.941,1219 4.348,1220 2.936,1221 0.099,1222 0.079,1223 0.143,1224 0.089,1225 0.068,1226 4.563,1227 0.098,1228 3.613,1229 0.023,1230 6.578,1231 0.228,1232 4.112,1233 0.067,1234 3.134,1235 4.507,1236 1.058,1237 10.47,1238 3.065,1239 1.986,1240 1.964,1241 2.075,1242 2.089,1243 1.355,1244 2.084,1245 1.945,1246 1.914,1247 2.058,1248 2.054,1249 1.301,1250 2.059,1251 1.833,1252 1.811,1253 1.988,1254 1.984,1255 1.264,1256 1.989,1257 1.771,1258 1.714,1259 1.916,1260 1.929,1261 1.073,1262 1.925,1263 1.7,1264 1.638,1265 1.887,1266 1.884,1267 1.033,1268 1.885,1269 1.425,1270 1.356,1271 1.557,1272 1.738,1273 0.825,1274 1.689,1275 1.22,1276 1.167,1277 1.519,1278 1.481,1279 0.825,1280 1.495,1281 1.186,1282 1.103,1283 1.513,1284 1.4,1285 0.65,1286 1.429,1287 4.533,1289 5.866,1290 2.398,1291 7.385,1292 4.727,1293 8.986,1294 6.823,1295 10.631,1297 2.131,1299 27.423,1303 7.348,1305 6.627,1306 5.533,1308 0.223,1309 4.668,1314 47.227,1315 121.098,1316 287.24,1317 375.877,1318 412.407,1319 412.407,1320 412.407,1321 86.439,1322 8.925,1323 85.52,1324 85.52,1325 35,1326 12.96,1327 4.585,1328 3.7,1329 59.286,1330 214,1331 215,1332 0.131,1333 282.726,1334 493.78,1335 681.611,1336 114321,1337 2.7,1338 28.346,1339 0.691,1340 0.562,1341 26.606,1342 23.052,1343 19.907,1344 0.433,1345 0.306,1346 13.829,1347 18.989,1348 13.57,1349 11.131,1350 19.119,1351 14.063,1352 18.429,1353 0.284,1354 0.168,1355 17.15,1356 10.91,1357 15.188,1358 0.179,1359 0.093,1360 14.637,1361 7.885,1362 13.254,1363 0.116,1364 0.049,1365 12.371,1366 5.565,1367 10.496,1368 0.073,1369 0.027,1370 10.283,1371 3.919,1372 0.207,1373 125.748,1374 0.179,1375 36.722,1376 0.352,1377 222,1378 713.627,1379 246.522,1380 636.303,1381 856.48,1382 596,1383 261,1384 619.194,1385 284.96,1386 615.502,1387 901.05,1388 579,1389 5.7}
{0 CHEMBL1983309,1 1.868,2 10,3 3.872,4 14.991,5 89.626,6 9.69,7 0.64,8 3.716,9 3.79,10 3.548,11 3.336,12 4.935,13 3.312,14 4.193,15 4.305,16 3.96,17 3.686,18 5.42,19 3.652,20 4.286,21 4.392,22 3.952,23 3.754,24 5.533,25 3.702,26 4.336,27 4.458,28 4.012,29 3.702,30 5.688,31 3.629,32 4.306,33 4.493,34 3.725,35 3.54,36 5.498,37 3.475,38 4.228,39 4.404,40 3.645,41 3.443,42 5.485,43 3.376,44 4.047,45 4.204,46 3.511,47 3.413,48 5.249,49 3.327,50 4.033,51 4.216,52 3.448,53 3.318,54 5.264,55 3.233,56 0.103,57 0.486,58 4.341,59 3.187,60 5.593,61 3.201,62 0.367,63 0.781,64 12,65 5.453,66 23.151,67 5.31,68 0.334,69 0.834,70 15.437,71 6.455,72 26.188,73 5.929,74 0.565,75 0.872,76 18.221,77 6.759,78 38.874,79 6.384,80 0.404,81 0.845,82 16.818,83 6.545,84 35.803,85 6.896,86 0.638,87 0.769,88 17.296,89 6.059,90 49.844,91 5.67,92 0.278,93 0.647,94 14.258,95 5.529,96 27.21,97 5.573,98 0.425,99 0.638,100 16.893,101 5.479,102 46.144,103 5.378,104 21,105 35,106 0.336,107 0.668,108 0.756,109 0.843,110 0.853,111 0.883,112 3.188,113 0.947,114 -4.19,115 -4.14,116 -3.91,119 44.4,124 2,142 6,143 1,144 3,146 1,152 1,158 1,162 1,172 3,175 7,178 2,180 2,183 7,188 5,193 1,196 4,199 3,200 6,203 1,205 4,208 3,213 2,218 1,221 1,224 2,225 5,228 1,230 1,233 4,238 1,246 3,249 1,250 4,258 6,264 1,272 3,276 694,277 15.566,278 15.566,279 15.566,280 15.566,281 15.566,282 13.588,283 17.748,284 9.01,285 16.33,286 12.214,287 12.214,288 12.214,289 12.214,290 12.214,291 9.041,292 22.442,293 4.132,294 13.337,295 3.302,296 1.459,297 0.973,298 0.486,299 0.431,300 0.264,301 3.867,302 1,304 1,305 1,306 1,307 490,308 3.082,311 49.094,312 141.857,315 95.703,319 1.391,320 24.646,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 50.333,332 230,333 4.494,334 3.616,335 6.471,336 4.018,337 3.061,338 4.434,339 1.058,340 10.036,341 2.964,342 4.366,343 3.103,344 6.265,345 3.904,346 2.969,347 4.011,348 0.86,349 9.549,350 2.735,351 3.775,352 2.972,353 5.42,354 3.371,355 2.432,356 3.176,357 0.86,358 7.075,359 2.284,360 3.63,361 2.728,362 5.197,363 3.142,364 2.258,365 3.017,367 6.465,368 1.945,369 3.315,370 2.575,371 4.943,372 2.887,373 1.984,374 2.567,376 5.673,377 1.747,378 3.105,379 2.074,380 4.76,381 2.632,382 1.722,383 2.313,385 4.906,386 1.525,387 3.002,388 1.659,389 4.397,390 2.443,391 1.516,392 2.215,394 4.265,395 1.387,396 2.668,397 1.522,398 3.886,399 2.161,400 1.174,401 1.684,403 2.963,404 1.144,405 1.947,406 1.067,407 3.159,408 1.379,409 0.491,410 0.689,412 1.186,413 0.427,414 1.691,415 0.939,416 2.985,417 1.344,418 0.467,419 0.555,421 0.812,422 0.394,423 1.592,424 0.676,425 2.776,426 1.32,427 0.462,428 0.512,430 0.673,431 0.391,432 1.121,433 0.424,434 2.598,435 0.677,436 -0.23,437 -0.283,439 -0.562,440 -0.186,441 0.863,442 0.067,443 2.357,444 0.447,445 -0.459,446 -0.57,448 -0.992,449 -0.334,450 0.829,451 -0.038,452 2.178,453 0.332,454 -0.562,455 -0.755,457 -1.317,458 -0.519,459 0.582,460 -0.465,461 2,462 0.126,463 -0.834,464 -1.082,466 -2.113,467 -0.781,468 11.348,469 0.493,470 0.571,471 0.025,472 32,473 1.391,474 17,475 0.739,476 15,477 0.652,478 16.522,479 0.718,480 24.052,481 0.668,482 22.021,483 0.957,484 6.441,485 0.28,486 4.66,487 0.203,488 0.18,490 0.352,496 0.79,497 1.143,498 0.593,499 0.854,500 0.623,501 0.798,502 1.063,503 0.903,504 0.684,505 0.726,506 0.711,507 0.655,508 1.219,509 1.192,510 1.14,511 1.097,512 1.12,513 0.994,514 0.864,515 1.236,516 0.897,517 1.111,518 1.128,519 1.136,520 1.053,521 1.119,522 0.763,523 0.925,524 1.26,525 0.945,526 1.21,527 0.709,528 0.84,529 0.764,530 1.376,531 0.82,532 1.06,533 1.056,534 1.038,535 1.083,536 1.377,537 1.011,538 0.949,539 0.742,540 1.035,541 1.008,542 1.326,543 0.91,544 5.5,545 0.103,546 2.444,547 2.042,548 1.307,549 0.931,550 0.314,551 0.375,552 0.146,553 0.17,554 5556,555 19724,556 2.041,557 36.1,559 12,562 1,567 1.656,568 1.89,569 3.305,570 -0.241,572 1,574 1,577 67.257,578 1.868,579 3.711,580 4.197,581 4.684,582 4.739,583 4.906,584 2.736,585 4.35,586 4.496,587 3.413,588 863.581,589 7.735,590 9800.53,592 1,593 1,594 1,595 186.117,596 1.478,597 4.443,598 0.22,599 0.009,600 0.07,601 0.058,602 0.042,603 0.036,604 0.014,605 0.017,606 0.008,607 0.011,608 0.484,609 0.33,610 1,611 0.942,612 107.712,613 -0.076,614 -0.103,615 0.027,616 -0.01,617 -0.087,618 0.006,619 -0.072,620 0.126,621 0.126,622 0.216,623 0.01,624 0.22,625 -0.235,626 -0.168,627 -0.189,628 -0.119,629 -0.146,630 -0.118,631 0.199,632 -0.201,633 0.015,634 -0.144,635 0.085,636 -0.252,637 -0.077,638 -0.123,639 0.08,640 -0.009,641 -0.054,642 0.03,643 0.022,644 0.317,645 0.034,646 0.217,647 -0.029,648 0.135,649 -0.142,650 -0.076,651 -0.092,652 -0.062,653 -0.123,654 -0.027,655 0.032,656 0.271,657 -0.029,658 0.032,659 -0.022,660 0.103,661 1.963,662 5.446,663 0.652,664 18.023,665 1.025,666 1.111,667 2.964,668 8.784,669 0.735,670 3.258,671 3.584,672 3.85,673 4.111,674 4.29,675 4.331,676 4.382,677 4.407,678 4.394,679 4.443,680 5.786,681 0.705,682 348.83,683 3.258,684 4.796,685 5.645,686 6.526,687 7.393,688 8.278,689 9.15,690 10.035,691 10.91,692 11.795,693 5.6,700 1,703 1,708 2,709 6,710 1,713 1,714 5,716 16,723 1,733 2,734 1,735 36,737 17,738 2,739 25,741 38,742 16,743 13,744 6,745 6,746 1,748 3,749 4,750 1,762 14,763 2,767 1,772 1,776 1,780 1,783 13,784 5,785 1,786 7,787 2,792 2,797 0.667,798 3,815 1,816 2,819 1,843 2,845 1,847 2,848 1,851 23,860 1,861 2,868 1,873 1,874 8.3,877 1,879 2,881 12.167,882 7.26,883 5.167,884 1.879,886 3.104,887 1.447,888 0.984,889 4.802,890 10.053,891 3.555,892 4.201,893 4.817,894 5.433,895 5.93,896 6.203,897 6.521,898 6.8,899 6.843,900 7.165,901 0.857,902 35,903 8.446,905 3.545,906 7.882,907 15.742,909 12.459,911 2.382,912 54.778,916 141.253,917 135.17,918 34.796,919 39.149,920 47.145,922 31.278,923 103.892,924 227.547,925 34.796,926 21.766,927 18.011,928 56.857,929 46.635,930 41.818,931 0.746,932 172.531,933 39.149,934 141.253,935 138.688,936 47.145,937 70.426,939 141.253,940 47.145,943 20.656,944 101.247,945 55.934,946 31.278,947 141.253,948 81.941,949 174.318,952 141.253,953 56.546,954 78.624,955 18.011,956 103.079,957 141.253,958 81.941,959 174.318,961 0.579,962 0.347,963 0.189,964 0.103,965 17,966 8,967 0.105,968 4,969 1,970 1.133,971 3.498,972 181.136,973 0.133,974 15,975 104.042,977 1,981 16.179,982 6.826,983 3.469,984 1.7,985 81.941,986 10.414,987 4.371,990 1.363,991 2.602,993 18.011,994 397.513,995 34,1000 12.446,1004 -0.297,1007 36.887,1008 39.98,1009 0.361,1010 0.718,1011 0.812,1012 0.906,1013 0.917,1014 0.949,1015 4.779,1016 1.174,1017 5.638,1018 4.265,1019 4.263,1020 4.887,1021 1.824,1022 6.447,1023 4.106,1024 6.009,1025 0.491,1026 7.198,1027 2.963,1028 3.892,1029 4.796,1031 7.322,1032 3.65,1033 7.331,1034 0.467,1035 8.851,1036 1.186,1037 5.861,1038 7.162,1039 1.74,1040 10.395,1041 5.589,1042 8.689,1043 0.462,1044 10.556,1045 0.812,1046 6.275,1047 7.871,1049 12.067,1050 5.932,1051 10.076,1052 -0.23,1053 12.295,1054 0.673,1055 7.726,1056 9.726,1057 1.692,1058 14.654,1059 7.363,1060 11.482,1061 -0.459,1062 14.058,1063 -0.562,1064 8.506,1065 10.819,1067 16.673,1068 8.082,1069 12.905,1070 -0.562,1071 15.838,1072 -0.992,1073 9.749,1074 12.46,1075 1.676,1076 19.081,1077 9.304,1078 3.061,1079 -0.834,1080 17.632,1081 -1.317,1082 10.703,1083 13.746,1085 21.253,1086 10.204,1087 2.969,1088 10.036,1089 19.437,1090 -2.113,1091 11.861,1092 15.291,1093 1.688,1094 23.59,1095 11.335,1096 2.432,1097 9.549,1098 21.252,1099 4.434,1100 12.896,1101 16.673,1103 25.828,1104 12.322,1105 2.258,1106 7.075,1107 23.073,1108 4.011,1109 14.02,1110 18.176,1111 1.723,1112 28.137,1113 13.415,1114 1.984,1115 6.465,1116 24.901,1117 3.176,1118 15.093,1119 19.604,1121 30.404,1122 14.444,1123 1.722,1124 5.673,1125 26.734,1126 3.017,1127 16.205,1128 21.09,1129 1.776,1130 32.702,1131 15.522,1132 1.516,1133 4.906,1134 28.571,1135 2.567,1136 17.295,1137 22.542,1139 34.982,1140 16.572,1141 5459,1142 10422,1143 16.414,1144 26.449,1145 37.247,1146 38.841,1147 38.964,1148 37.138,1149 37.069,1150 50.346,1151 5.557,1152 107.208,1153 33.885,1154 5.337,1155 5.616,1156 6.028,1157 5.147,1158 5.061,1159 7.434,1160 2.117,1161 16.838,1162 4.964,1163 12.093,1164 1.49,1165 1.554,1166 1.559,1167 1.486,1168 1.483,1169 2.014,1170 0.222,1171 4.288,1172 1.355,1173 4.06,1174 4.073,1175 4.337,1176 4.048,1177 7.429,1178 4.004,1179 3.927,1180 3.937,1181 3.898,1182 3.845,1183 5.039,1184 3.852,1185 3.466,1186 3.497,1187 3.784,1188 3.352,1189 4.903,1190 3.318,1191 3.301,1192 3.349,1193 3.31,1194 3.081,1195 4.675,1196 3.094,1197 3.214,1198 3.271,1199 3.121,1200 2.958,1201 4.574,1202 2.969,1203 3.074,1204 3.114,1205 3.081,1206 2.835,1207 4.195,1208 2.833,1209 2.891,1210 2.938,1211 2.911,1212 2.815,1213 3.998,1214 2.785,1215 2.775,1216 2.85,1217 2.624,1218 2.637,1219 3.66,1220 2.613,1221 0.18,1222 0.145,1223 0.259,1224 0.161,1225 0.122,1226 4.494,1227 0.177,1228 3.616,1229 0.042,1230 6.471,1231 0.401,1232 4.018,1233 0.119,1234 3.061,1235 4.434,1236 1.058,1237 10.036,1238 2.964,1239 1.893,1240 1.882,1241 1.972,1242 2.006,1243 1.099,1244 1.993,1245 1.891,1246 1.878,1247 1.934,1248 1.945,1249 1.077,1250 1.96,1251 1.394,1252 1.37,1253 1.591,1254 1.631,1255 0.587,1256 1.607,1257 1.223,1258 1.167,1259 1.554,1260 1.545,1261 0.566,1262 1.552,1263 1.162,1264 1.093,1265 1.373,1266 1.436,1267 0.483,1268 1.468,1269 0.979,1270 0.94,1271 1.128,1272 1.164,1273 0.213,1274 1.163,1275 0.897,1276 0.885,1277 1.095,1278 0.992,1279 0.155,1280 1.032,1281 0.805,1282 0.736,1283 0.965,1284 0.986,1285 0.087,1286 1.014,1287 3.932,1289 5.252,1290 2.398,1291 6.765,1292 4.727,1293 8.365,1294 6.823,1295 10.011,1297 3.062,1298 5.961,1305 2.784,1306 10.372,1314 25.363,1315 67.257,1316 133.588,1317 151.098,1318 168.608,1319 170.608,1320 176.608,1321 36.569,1322 6.949,1323 60.45,1324 88.69,1325 17,1326 12.329,1327 4.17,1328 3.322,1329 36.911,1330 80,1331 78,1332 0.229,1333 163.69,1334 276.55,1335 391.163,1336 8962,1337 2.8,1338 16.397,1339 0.713,1340 0.608,1341 17.251,1342 13.995,1343 11.101,1344 0.444,1345 0.316,1346 6.672,1347 9.85,1348 6.361,1349 5.292,1350 11.798,1351 7.894,1352 9.908,1353 0.283,1354 0.175,1355 10.985,1356 6.118,1357 8.362,1358 0.182,1359 0.095,1360 9.359,1361 4.393,1362 6.98,1363 0.116,1364 0.054,1365 8.199,1366 3.239,1367 5.457,1368 0.076,1369 0.029,1370 6.471,1371 2.1,1372 0.358,1373 77.488,1374 0.247,1375 22.546,1376 0.631,1377 120,1378 420.248,1379 174.389,1380 447.316,1381 595.67,1382 418,1383 141,1384 391.403,1385 184.555,1386 422.612,1387 617.3,1388 394,1389 5.1}
{0 CHEMBL1983449,1 1.539,2 10.087,3 2.317,4 5.368,5 90.445,6 7.684,7 0.48,8 3.79,9 3.896,10 3.372,11 3.357,12 5.001,13 3.343,14 4.22,15 4.388,16 3.667,17 3.658,18 5.366,19 3.631,20 4.379,21 4.545,22 3.706,23 3.745,24 5.663,25 3.687,26 4.476,27 4.701,28 3.501,29 3.705,30 5.544,31 3.594,32 4.423,33 4.672,34 3.488,35 3.609,36 5.44,37 3.527,38 4.294,39 4.488,40 3.539,41 3.52,42 5.531,43 3.493,44 4.291,45 4.491,46 3.456,47 3.46,48 5.567,49 3.424,50 4.176,51 4.378,52 3.273,53 3.39,54 5.357,55 3.316,56 0.049,57 0.564,58 7.614,59 3.552,60 11.826,61 4.359,62 0.08,63 0.861,64 13.035,65 5.289,66 14.471,67 6.997,68 0.296,69 0.989,70 15.48,71 6.259,72 43.453,73 8.342,74 0.287,75 1.028,76 19.087,77 7.211,78 40.637,79 9.936,80 0.195,81 0.939,82 19.18,83 6.874,84 34.266,85 9.543,86 0.188,87 0.837,88 15.763,89 5.507,90 35.314,91 7.035,92 0.315,93 0.816,94 16.243,95 5.363,96 48.002,97 6.728,98 0.221,99 0.711,100 14.289,101 5.344,102 36.483,103 6.871,104 17,105 35,106 0.271,107 0.621,108 0.731,109 0.791,110 0.817,111 0.852,112 3.188,113 0.874,114 -2.75,115 -2.76,116 -2.68,119 45,120 2,125 1,138 2,142 5,143 3,144 1,145 2,156 2,172 8,175 5,183 11,187 1,188 2,191 2,192 1,196 8,199 1,200 2,203 2,208 2,213 5,218 3,225 3,230 5,237 1,238 2,241 1,243 4,246 2,250 2,253 1,255 4,258 4,264 2,269 3,272 4,276 777,277 15.345,278 15.345,279 15.345,280 15.345,281 15.345,282 13.047,283 18.479,284 8.986,285 15.575,286 12.286,287 12.286,288 12.286,289 12.286,290 12.286,291 9.006,292 25.885,293 4.269,294 12.699,295 3.783,296 1.8,297 1.178,298 0.838,299 0.688,300 0.488,301 3.863,304 1,305 1,306 1,307 494,308 2.646,310 59.904,312 160.531,319 1.49,320 22.844,321 1,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 49.5,332 232,333 4.674,334 3.602,335 6.95,336 4.255,337 3.297,338 4.221,339 0.795,340 11.621,341 3.151,342 4.214,343 3.027,344 5.951,345 3.826,346 2.827,347 3.869,348 0.6,349 8.322,350 2.824,351 3.91,352 2.68,353 5.41,354 3.457,355 2.491,356 3.463,358 7.099,359 2.405,360 3.538,361 2.553,362 5.223,363 3.209,364 2.219,365 2.841,367 6.438,368 2.196,369 3.148,370 2.063,371 4.919,372 2.54,373 1.613,374 2.304,376 4.78,377 1.491,378 3.09,379 1.947,380 4.822,381 2.507,382 1.58,383 2.185,385 4.496,386 1.456,387 2.82,388 1.634,389 4.043,390 2.414,391 1.414,392 1.948,394 3.525,395 1.414,396 2.71,397 1.454,398 3.604,399 2.209,400 1.279,401 1.718,403 2.971,404 1.184,405 2.5,406 1.146,407 3.316,408 1.984,409 1,410 1.5,412 2.136,413 0.983,414 1.825,415 1,416 3.247,417 1.624,418 0.691,419 0.759,421 1.646,422 0.639,423 1.501,424 0.682,425 2.866,426 1.146,427 0.196,428 0.241,430 0.448,431 0.184,432 1.182,433 0.3,434 2.498,435 0.89,436 -0.054,437 -0.064,439 -0.129,440 -0.051,441 0.845,442 -0.182,443 2.373,444 0.461,445 -0.491,446 -0.597,448 -1.19,449 -0.46,450 0.683,451 -0.409,452 2,453 0.279,454 -0.683,455 -0.839,457 -1.703,458 -0.662,459 0.5,460 -0.705,461 1.963,462 -0.049,463 -1,464 -1.308,466 -2.347,467 -0.946,468 10.867,469 0.472,470 0.613,471 0.027,472 31.5,473 1.37,474 17,475 0.739,476 14.5,477 0.63,478 16.268,479 0.707,480 23.933,481 0.598,482 21.455,483 0.933,484 6.485,485 0.282,486 4.574,487 0.199,488 0.153,490 0.368,496 0.955,497 1.169,498 0.797,499 0.962,500 1.015,501 0.878,502 0.784,503 1.146,504 0.751,505 0.946,506 0.686,507 0.85,508 0.559,509 1.211,510 1,511 1.198,512 0.537,513 1.173,514 0.705,515 1.022,516 1.074,517 1.116,518 0.754,519 1.148,520 0.886,521 0.896,522 0.789,523 0.852,524 0.846,525 0.809,526 1.472,527 1.087,528 0.961,529 0.978,530 1.399,531 0.902,532 1.662,533 0.871,534 1.108,535 0.904,536 1.698,537 0.917,538 1.298,539 0.986,540 1.073,541 1.047,542 1.416,543 1.042,544 4.5,545 0.082,546 2.889,547 2,548 1.267,549 0.785,550 0.447,551 0.401,552 0.25,553 0.111,554 5841,555 15758,556 2.041,557 42.5,558 6,559 7,561 2,562 2,567 1.656,568 1.89,569 3.33,570 0.278,571 1,572 1,574 1,577 61.577,578 1.539,579 3.522,580 4.144,581 4.484,582 4.634,583 4.834,584 2.752,585 4.176,586 4.497,587 3.458,588 874.949,589 7.737,590 10213.4,591 1,592 1,594 1,595 212.877,596 1.478,597 4.443,598 0.18,599 0.007,600 0.088,601 0.063,602 0.051,603 0.03,604 0.017,605 0.017,606 0.013,607 0.007,608 0.47,609 0.5,610 1,611 0.636,612 108.655,613 -0.115,614 -0.076,615 0.007,616 0.047,617 -0.175,618 0.042,619 -0.029,620 -0.068,621 0.122,622 0.03,623 -0.008,624 0.092,625 0.307,626 -0.146,627 -0.115,628 -0.234,629 0.271,630 -0.244,631 0.108,632 -0.037,633 -0.117,634 -0.143,635 0.019,636 -0.166,638 0.039,639 0.221,640 0.132,641 0.039,642 0.203,643 -0.153,644 -0.096,645 0.034,646 -0.027,647 -0.041,648 0.027,649 -0.13,650 0.12,651 -0.079,652 0.029,653 -0.113,654 -0.008,655 -0.056,656 -0.056,657 -0.077,658 -0.059,659 -0.075,660 -0.073,661 1.888,662 3.807,663 0.696,664 18.836,665 1.004,666 1.121,667 1.516,668 2.297,669 0.681,670 3.258,671 3.584,672 3.85,673 3.989,674 4.143,675 4.127,676 4.19,677 4.29,678 4.382,679 4.369,680 6.008,681 0.655,682 307.38,683 3.258,684 4.796,685 5.645,686 6.518,687 7.387,688 8.266,689 9.145,690 10.03,691 10.914,692 11.803,693 7.5,702 2,703 1,709 7,710 1,714 4,716 12,735 40,737 15,738 1,739 25,741 42,742 18,743 11,744 3,745 3,746 4,748 3,749 3,754 2,762 15,763 3,767 3,775 2,776 4,779 1,780 1,783 17,784 5,785 2,786 5,792 3,797 1,798 2,809 1,814 1,816 2,826 2,834 2,841 2,843 3,847 2,851 23,857 2,858 1,874 5,876 2,881 12.167,882 7.833,883 5.056,884 2.254,886 3.563,887 1.523,888 0.939,889 4.156,890 10.371,891 3.555,892 4.174,893 4.745,894 5.218,895 5.697,896 5.866,897 6.229,898 6.656,899 7.06,900 7.352,901 0.857,902 32,903 8.465,905 3.581,906 7.841,907 15.926,909 12.776,911 2.341,912 53.833,915 1,916 176.567,917 103.059,918 50.357,920 85.367,923 103.059,924 261.933,925 50.357,926 17.65,927 2.106,928 47.381,929 131.208,930 63.979,932 153.024,934 176.567,935 153.416,936 85.367,939 176.567,940 85.367,943 71.422,944 65.208,945 16.786,947 176.567,948 135.723,949 103.059,952 176.567,953 19.933,954 83.126,956 135.723,957 176.567,958 135.723,959 103.059,961 0.587,962 0.348,963 0.168,964 0.087,965 17,966 8,967 0.071,968 3,970 1,971 3.597,972 175.993,974 16,975 100.042,981 15.292,982 6.25,983 3.114,985 135.723,986 12.789,987 3.917,991 4.117,993 85.367,994 415.349,995 34,1003 8.681,1004 0.206,1007 40.145,1008 44.82,1009 0.289,1010 0.662,1011 0.779,1012 0.843,1013 0.871,1014 0.908,1015 4.787,1016 1.279,1017 5.638,1018 3.525,1019 4.263,1020 4.86,1021 1.093,1022 6.45,1023 4.197,1024 6.02,1025 1,1026 7.207,1027 2.971,1028 3.892,1029 4.635,1031 7.361,1032 3.802,1033 7.346,1034 0.691,1035 8.879,1036 2.136,1037 5.883,1038 7.07,1039 0.722,1040 10.534,1041 5.764,1042 8.712,1043 0.196,1044 10.612,1045 1.646,1046 6.365,1047 7.666,1049 12.33,1050 6.208,1051 10.111,1052 -0.054,1053 12.386,1054 0.448,1055 7.834,1056 9.557,1057 0.469,1058 15.047,1059 7.651,1060 11.535,1061 -0.491,1062 14.191,1063 -0.129,1064 8.698,1065 10.546,1067 17.214,1068 8.467,1069 12.979,1070 -0.683,1071 16.021,1072 -1.19,1073 9.973,1074 12.193,1075 0.302,1076 19.774,1077 9.71,1078 3.297,1079 -1,1080 17.87,1081 -1.703,1082 11.009,1083 13.384,1085 22.1,1086 10.695,1087 2.827,1088 11.621,1089 19.735,1090 -2.347,1091 12.213,1092 14.914,1093 0.194,1094 24.599,1095 11.862,1096 2.491,1097 8.322,1098 21.613,1099 4.221,1100 13.328,1101 16.212,1103 26.994,1104 12.924,1105 2.219,1106 7.099,1107 23.502,1108 3.869,1109 14.51,1110 17.685,1111 0.124,1112 29.467,1113 14.063,1114 1.613,1115 6.438,1116 25.4,1117 3.463,1118 15.66,1119 19.04,1121 31.894,1122 15.161,1123 1.58,1124 4.78,1125 27.306,1126 2.841,1127 16.838,1128 20.485,1129 0.079,1130 34.356,1131 16.293,1132 1.414,1133 4.496,1134 29.217,1135 2.304,1136 18.005,1137 21.872,1139 36.796,1140 17.409,1141 5702,1142 9521,1143 16.414,1144 27.256,1145 37.941,1146 38.07,1147 39.101,1148 37.222,1149 37.217,1150 50.098,1151 2.79,1152 106.964,1153 35.854,1154 5.534,1155 5.602,1156 6.752,1157 5.29,1158 5.297,1159 7.221,1160 1.59,1161 19.621,1162 5.151,1163 12.032,1164 1.518,1165 1.523,1166 1.564,1167 1.489,1168 1.489,1169 2.004,1170 0.112,1171 4.279,1172 1.434,1173 4.005,1174 4.035,1175 3.968,1176 3.926,1177 6.539,1178 3.926,1179 3.91,1180 3.94,1181 3.859,1182 3.814,1183 6.391,1184 3.828,1185 3.76,1186 3.79,1187 3.713,1188 3.642,1189 4.958,1190 3.656,1191 3.324,1192 3.389,1193 3.188,1194 3.187,1195 4.764,1196 3.177,1197 3.15,1198 3.245,1199 2.927,1200 2.991,1201 4.606,1202 2.964,1203 2.927,1204 3.022,1205 2.815,1206 2.735,1207 4.205,1208 2.715,1209 2.865,1210 2.925,1211 2.735,1212 2.697,1213 3.88,1214 2.688,1215 2.854,1216 2.923,1217 2.687,1218 2.589,1219 3.831,1220 2.634,1221 0.187,1222 0.144,1223 0.278,1224 0.17,1225 0.132,1226 4.674,1227 0.169,1228 3.602,1229 0.032,1230 6.95,1231 0.465,1232 4.255,1233 0.126,1234 3.297,1235 4.221,1236 0.795,1237 11.621,1238 3.151,1239 1.963,1240 1.937,1241 2.08,1242 2.059,1243 1.236,1244 2.061,1245 1.872,1246 1.844,1247 1.95,1248 1.996,1249 0.994,1250 1.989,1251 1.71,1252 1.684,1253 1.785,1254 1.855,1255 0.871,1256 1.838,1257 1.328,1258 1.267,1259 1.585,1260 1.516,1261 0.735,1262 1.542,1263 1.191,1264 1.104,1265 1.566,1266 1.42,1267 0.628,1268 1.476,1269 0.922,1270 0.827,1271 1.271,1272 1.19,1273 0.373,1274 1.22,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.729,1282 0.666,1283 0.991,1284 1.045,1285 0.063,1286 0.996,1287 3.932,1289 5.293,1291 6.87,1293 8.533,1295 10.237,1297 4.109,1302 19.595,1303 0.42,1314 26.181,1315 61.577,1316 140.861,1317 165.758,1318 179.367,1319 185.367,1320 193.367,1321 39.038,1322 6.808,1323 78.07,1324 78.07,1325 16,1326 12.334,1327 4,1328 3.322,1329 36.871,1330 81,1331 77,1332 0.218,1333 163.281,1334 287.9,1335 390.166,1336 7708,1338 16.397,1339 0.713,1340 0.565,1341 16.397,1342 12.985,1343 11.059,1344 0.442,1345 0.291,1346 7.206,1347 10.729,1348 6.939,1349 5.813,1350 11.059,1351 7.286,1352 9.997,1353 0.286,1354 0.156,1355 9.997,1356 5.446,1357 8.675,1358 0.189,1359 0.082,1360 8.675,1361 3.792,1362 6.327,1363 0.119,1364 0.041,1365 6.327,1366 2.199,1367 4.904,1368 0.079,1369 0.023,1370 4.904,1371 1.416,1372 0.343,1373 68.868,1374 0.247,1375 22.772,1376 0.594,1377 120,1378 349.235,1379 129.37,1380 345.473,1381 472.58,1382 322,1383 141,1384 348.103,1385 151.728,1386 357.773,1387 520.35,1388 335,1389 5.1}
{0 CHEMBL1983534,1 1.457,2 10.696,3 4.216,4 17.77,5 96.425,6 8.354,7 0.846,8 3.747,9 3.851,10 3.485,11 3.454,12 4.862,13 3.395,14 4.213,15 4.349,16 3.858,17 3.826,18 5.284,19 3.744,20 4.405,21 4.594,22 3.766,23 3.887,24 5.36,25 3.759,26 4.39,27 4.603,28 3.623,29 3.797,30 5.296,31 3.637,32 4.286,33 4.511,34 3.613,35 3.689,36 5.196,37 3.536,38 4.183,39 4.394,40 3.584,41 3.634,42 5.124,43 3.476,44 4.024,45 4.224,46 3.39,47 3.458,48 4.99,49 3.329,50 3.806,51 3.995,52 3.053,53 3.243,54 4.82,55 3.149,56 0.025,57 0.514,58 6.625,59 3.182,60 6.361,61 3.959,62 0.114,63 0.872,64 12.684,65 5.219,66 12.233,67 6.504,68 0.094,69 1.026,70 18.344,71 7.594,72 15.952,73 9.374,74 0.118,75 1.034,76 20.268,77 7.909,78 18.051,79 9.529,80 0.102,81 0.931,82 17.936,83 7.106,84 16.493,85 8.764,86 0.119,87 0.879,88 19.194,89 6.913,90 15.781,91 7.693,92 0.11,93 0.753,94 16.022,95 5.538,96 12.48,97 6.219,98 0.093,99 0.575,100 8.789,101 3.537,102 11.132,103 4.492,105 35,106 0.256,107 0.532,108 0.69,109 0.825,110 0.838,111 0.838,112 3.188,113 0.956,114 -4.51,115 -4.43,116 -4.18,119 50,125 1,142 10,143 3,145 2,146 1,152 1,162 1,172 12,175 4,178 1,180 2,183 14,188 3,193 2,196 11,200 3,205 4,208 5,213 5,218 3,221 4,225 5,230 1,233 4,238 2,243 2,246 7,249 1,258 9,267 1,272 10,276 693,277 16.154,278 16.154,279 16.154,280 16.154,281 16.154,282 13.605,283 9.712,284 9.862,285 16.53,286 12.909,287 12.909,288 12.909,289 12.909,290 12.909,291 9.16,292 15.848,293 4.774,294 13.558,295 3.791,296 2.217,297 1.315,298 0.546,299 0.474,300 0.474,301 3.895,305 1,306 1,307 548,308 2.236,311 48.233,312 206.081,315 89.058,319 1.883,320 8.845,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 47.5,332 246,333 4.511,334 3.081,335 6.335,336 4,337 3.055,338 4.451,339 0.657,340 9.77,341 2.923,342 4.113,343 2.811,344 6.042,345 3.692,346 2.736,347 3.709,349 8.759,350 2.586,351 3.898,352 2.691,353 5.367,354 3.512,355 2.52,356 3.446,358 7.025,359 2.498,360 3.485,361 2.201,362 5.09,363 3.004,364 2.09,365 2.885,367 6.131,368 1.894,369 3.214,370 1.79,371 4.52,372 2.724,373 1.77,374 2.506,376 4.606,377 1.68,378 3.017,379 1.58,380 4.347,381 2.473,382 1.526,383 2.269,385 4.176,386 1.456,387 2.908,388 1.518,389 3.635,390 2.441,391 1.475,392 2.077,394 3.136,395 1.39,396 2.637,397 1.157,398 3.509,399 2.105,400 1.15,401 1.703,403 2.695,404 1.095,405 2.5,406 1,407 3.247,408 2,409 1,410 1.5,412 2.136,413 1,414 2.5,415 1,416 3.247,417 1.984,418 1,419 1.5,421 2.136,422 0.983,423 1.904,424 0.777,425 3.155,426 1.509,427 0.583,428 0.692,430 1.381,431 0.536,432 1.795,433 0.409,434 3.094,435 1.306,436 0.408,437 0.604,439 1.068,440 0.36,441 0.948,442 -0.238,443 2.539,444 0.515,445 -0.432,446 -0.556,448 -1.103,449 -0.404,450 0.794,451 -0.518,452 2.3,453 0.404,454 -0.572,455 -0.753,457 -1.362,458 -0.557,459 0.623,460 -0.807,461 2.173,462 0.121,463 -0.848,464 -1.207,466 -2.179,467 -0.8,468 11.533,469 0.501,470 0.376,471 0.016,472 35,473 1.522,474 20.5,475 0.891,476 14.5,477 0.63,478 14.32,479 0.623,480 22.067,481 0.581,482 21.058,483 0.916,484 6.863,485 0.298,486 4.52,487 0.197,490 0.26,496 0.898,497 1.01,498 0.706,499 0.786,500 0.854,501 0.774,502 0.926,503 1.032,504 0.863,505 0.95,506 0.949,507 0.921,508 0.979,509 1.071,510 1.059,511 1.064,512 0.965,513 1.042,514 1.144,515 1.09,516 1.244,517 1.165,518 1.098,519 1.116,520 1.03,521 1.013,522 0.982,523 0.955,524 0.839,525 0.928,526 1.36,527 1.019,528 1.457,529 1.166,530 1.078,531 0.93,532 1.375,533 1.165,534 1.468,535 1.281,536 1.073,537 1.008,538 1.277,539 0.991,540 1.006,541 0.99,542 1.192,543 1.097,544 3.5,545 0.045,546 1.778,547 0.979,548 0.756,549 0.445,550 0.379,551 0.215,552 0.065,553 0.086,554 6623,555 16477,556 2.223,557 39.5,559 12,561 2,562 1,567 1.652,568 2.19,569 3.406,570 -0.369,572 1,577 55.352,578 1.457,579 3.031,580 3.933,581 4.702,582 4.774,583 4.774,584 2.893,585 4.089,586 4.492,587 3.544,588 896.51,589 7.708,590 10382.8,592 1,594 1,595 199.421,596 0.828,597 4.498,598 0.135,599 0.004,600 0.051,601 0.031,602 0.029,603 0.018,604 0.016,605 0.01,606 0.004,607 0.007,608 0.304,609 0.33,610 1,612 109.057,613 -0.022,614 -0.035,615 0.065,616 0.048,617 -0.051,618 0.042,619 0.111,620 -0.021,621 0.034,622 -0.05,623 -0.05,624 -0.067,625 -0.069,626 -0.105,627 -0.071,628 -0.082,629 -0.063,630 -0.087,631 -0.133,632 -0.098,633 -0.136,634 -0.115,635 -0.155,636 -0.125,637 0.011,638 -0.02,639 0.122,640 0.096,641 0.102,642 0.081,643 -0.142,644 0.053,645 -0.049,646 0.047,647 0.016,648 0.081,649 -0.115,650 -0.092,651 -0.165,652 -0.14,653 0.05,654 -0.033,655 -0.103,656 0.019,657 -0.259,658 -0.177,659 -0.144,660 -0.216,661 0.712,662 1.658,663 0.913,664 22.147,665 0.992,666 1.103,667 3.278,668 10.742,669 0.743,670 3.296,671 3.584,672 3.85,673 4.111,674 4.331,675 4.344,676 4.533,677 4.691,678 4.718,679 4.787,680 6.244,681 0.695,682 317.44,683 3.296,684 4.812,685 5.652,686 6.512,687 7.368,688 8.235,689 9.1,690 9.972,691 10.843,692 11.718,693 7.9,698 1,703 2,708 2,709 12,710 2,713 1,714 4,716 22,728 1,735 38,737 22,738 2,739 26,741 41,742 19,743 18,744 4,745 8,748 4,749 5,762 18,763 1,780 1,783 15,784 3,785 1,786 4,787 1,792 3,797 0.75,809 1,815 1,816 3,819 1,843 3,845 1,851 23,858 1,860 1,868 1,881 10.5,882 6.817,883 5.056,884 2.199,886 3.939,887 1.539,888 1.055,889 3.932,890 11.241,891 3.638,892 4.266,893 4.889,894 5.51,895 6.062,896 6.316,897 6.832,898 7.316,899 7.584,900 7.965,901 1,902 32,903 8.446,905 3.548,906 7.493,907 16.475,909 13.576,911 1.993,912 45.833,916 164.795,917 159.188,918 51.582,922 31.278,923 127.91,924 164.795,925 51.582,927 2.106,928 94.762,929 75.124,930 30.296,931 0.746,932 172.531,934 164.795,935 179.492,937 31.278,939 164.795,943 22.845,944 105.065,945 51.582,946 31.278,947 164.795,948 51.582,949 159.188,952 164.795,953 46.331,954 112.857,955 18.011,956 33.571,957 164.795,958 51.582,959 159.188,961 0.569,962 0.327,963 0.18,964 0.098,965 18,966 6,967 0.098,968 4,969 1,970 1.095,971 3.767,972 182.159,973 0.095,974 21,975 96.042,977 1,981 14.194,982 6.371,983 3.188,984 2.221,985 51.582,986 24.424,987 8.728,990 1.688,991 4.576,993 18.011,994 375.565,995 37,1007 37.683,1008 41.906,1009 0.278,1010 0.578,1011 0.749,1012 0.896,1013 0.91,1014 0.91,1015 4.824,1016 1.15,1017 5.595,1018 3.136,1019 4.263,1020 4.952,1021 0.623,1022 6.347,1023 4.171,1024 6.022,1025 1,1026 7.104,1027 2.695,1028 3.611,1029 4.559,1031 7.081,1032 3.466,1033 7.309,1034 1,1035 8.713,1036 2.136,1037 5.79,1038 7.185,1039 0.317,1040 10.184,1041 5.616,1042 8.636,1043 0.583,1044 10.383,1045 2.136,1046 6.019,1047 7.695,1049 11.797,1050 5.784,1051 9.996,1052 0.408,1053 12.094,1054 1.381,1055 7.596,1056 9.707,1057 0.149,1058 14.361,1059 7.344,1060 11.382,1061 -0.432,1062 13.833,1063 1.068,1064 8.256,1065 10.68,1067 16.337,1068 7.94,1069 12.787,1070 -0.572,1071 15.592,1072 -1.103,1073 9.563,1074 12.407,1075 0.067,1076 18.708,1077 9.227,1078 3.055,1079 -0.848,1080 17.366,1081 -1.362,1082 10.442,1083 13.627,1085 20.842,1086 10.043,1087 2.736,1088 9.77,1089 19.151,1090 -2.179,1091 11.625,1092 15.219,1093 0.03,1094 23.141,1095 11.2,1096 2.52,1097 8.759,1098 20.944,1099 4.451,1100 12.614,1101 16.57,1103 25.345,1104 12.13,1105 2.09,1106 7.025,1107 22.745,1108 3.709,1109 13.744,1110 18.099,1111 0.013,1112 27.618,1113 13.226,1114 1.77,1115 6.131,1116 24.55,1117 3.446,1118 14.788,1119 19.517,1121 29.854,1122 14.216,1123 1.526,1124 4.606,1125 26.361,1126 2.885,1127 15.898,1128 21.02,1129 0.006,1130 32.12,1131 15.287,1132 1.475,1133 4.176,1134 28.175,1135 2.506,1136 16.97,1137 22.473,1139 34.371,1140 16.307,1141 6120,1142 9779,1143 18.375,1144 28.233,1145 38.813,1146 38.661,1147 38.558,1148 38.608,1149 38.629,1150 54.685,1151 1.315,1152 106.037,1153 36.8,1154 5.339,1155 5.081,1156 6.137,1157 5.126,1158 5.055,1159 7.451,1160 1.315,1161 16.225,1162 4.923,1164 1.493,1165 1.487,1166 1.483,1167 1.485,1168 1.486,1169 2.103,1170 0.051,1171 4.078,1172 1.415,1173 4.088,1174 4.106,1175 4.323,1176 4.072,1177 5.003,1178 4.036,1179 3.904,1180 3.937,1181 3.831,1182 3.845,1183 4.865,1184 3.837,1185 3.806,1186 3.843,1187 3.817,1188 3.729,1189 4.749,1190 3.715,1191 3.397,1192 3.462,1193 3.418,1194 3.279,1195 4.318,1196 3.252,1197 3.115,1198 3.166,1199 3.084,1200 3.019,1201 3.939,1202 2.991,1203 2.894,1204 2.946,1205 2.88,1206 2.8,1207 3.729,1208 2.783,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.674,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.674,1220 2.715,1221 0.174,1222 0.118,1223 0.244,1224 0.154,1225 0.118,1226 4.511,1227 0.171,1228 3.081,1229 0.025,1230 6.335,1231 0.376,1232 4,1233 0.112,1234 3.055,1235 4.451,1236 0.657,1237 9.77,1238 2.923,1239 1.976,1240 1.959,1241 2.046,1242 2.042,1243 1.189,1244 2.049,1245 1.91,1246 1.879,1247 2.039,1248 1.999,1249 1.152,1250 2.015,1251 1.708,1252 1.675,1253 1.81,1254 1.826,1255 0.867,1256 1.828,1257 1.41,1258 1.368,1259 1.559,1260 1.61,1261 0.709,1262 1.619,1263 1.078,1264 1.04,1265 1.181,1266 1.211,1267 0.378,1268 1.241,1269 0.912,1270 0.882,1271 1.181,1272 1.062,1273 0.218,1274 1.107,1275 0.886,1276 0.821,1277 1.18,1278 1.062,1279 0.218,1280 1.107,1281 0.886,1282 0.821,1283 1.032,1284 1.006,1285 0.134,1286 1.038,1287 3.97,1289 5.263,1290 2.398,1291 6.753,1292 4.727,1293 8.328,1294 6.823,1295 9.945,1303 0.79,1305 3.407,1314 26.412,1315 55.352,1316 115.182,1317 149.447,1318 178.666,1319 181.421,1320 181.421,1321 22.494,1322 7.302,1323 37.81,1324 66.05,1325 23,1326 12.258,1327 4.524,1328 3.585,1329 32.054,1330 87,1331 80,1332 0.183,1333 165.691,1334 269.33,1335 396.047,1336 14848,1338 15.485,1339 0.673,1340 0.576,1341 15.838,1342 13.254,1343 11.382,1344 0.438,1345 0.319,1346 7.491,1347 10.735,1348 7.247,1349 6.023,1350 11.79,1351 8.288,1352 9.91,1353 0.283,1354 0.18,1355 10.579,1356 6.307,1357 8.477,1358 0.184,1359 0.101,1360 9.23,1361 4.665,1362 7.131,1363 0.119,1364 0.057,1365 7.977,1366 3.398,1367 5.866,1368 0.078,1369 0.031,1370 6.646,1371 2.362,1372 0.29,1373 73.738,1374 0.233,1375 22.964,1376 0.489,1377 122,1378 302.483,1379 153.953,1380 327.435,1381 463,1382 310,1383 142,1384 334.363,1385 169.321,1386 360.767,1387 526.01,1388 341,1389 5.1}
{0 CHEMBL1983589,1 1.573,2 9.958,3 2.427,4 5.889,5 94.614,6 7.974,7 0.593,8 3.882,9 4.02,10 3.51,11 3.427,12 4.947,13 3.407,14 4.427,15 4.605,16 3.911,17 3.849,18 5.468,19 3.798,20 4.73,21 4.978,22 3.894,23 3.955,24 5.644,25 3.86,26 4.719,27 4.994,28 3.856,29 3.865,30 5.647,31 3.757,32 4.556,33 4.82,34 3.766,35 3.77,36 5.503,37 3.666,38 4.412,39 4.624,40 3.856,41 3.735,42 5.453,43 3.648,44 4.39,45 4.603,46 3.711,47 3.687,48 5.441,49 3.566,50 4.268,51 4.486,52 3.424,53 3.555,54 5.227,55 3.423,56 0.047,57 0.701,58 8.41,59 3.413,60 9.011,61 4.733,62 0.185,63 1.121,64 16.603,65 6.267,66 21.688,67 8.839,68 0.249,69 1.331,70 26.843,71 8.326,72 31.859,73 12.249,74 0.424,75 1.24,76 28.461,77 8.162,78 40.951,79 12.251,80 0.309,81 1.061,82 24.573,83 7.33,84 34.896,85 10.621,86 0.253,87 0.936,88 22.091,89 6.174,90 26.132,91 8.599,92 0.332,93 0.856,94 25.559,95 6.496,96 35.115,97 8.775,98 0.217,99 0.777,100 21.079,101 5.747,102 26.411,103 7.864,104 5,105 38,106 0.273,107 0.651,108 0.778,109 0.822,110 0.854,111 0.854,112 3.229,113 0.951,114 -4.29,115 -4.23,116 -4,119 39.5,121 4,127 2,142 3,143 2,145 1,147 2,149 1,151 1,161 1,163 1,164 1,165 1,172 5,174 1,175 7,178 2,180 7,183 5,185 2,188 4,193 5,196 3,198 2,200 5,203 3,205 3,208 4,212 2,213 4,217 1,218 1,220 1,221 4,225 2,229 1,230 3,233 6,238 4,240 1,241 2,243 2,246 8,248 1,255 2,258 4,264 2,266 1,267 1,269 4,272 4,274 2,276 776,277 16.394,278 16.394,279 16.394,280 16.394,281 16.394,282 14.552,283 14.25,284 9.693,285 16.859,286 13.375,287 13.375,288 13.375,289 13.375,290 13.375,291 10.595,292 21.907,293 4.67,294 14.204,295 3.854,296 1.682,297 0.948,298 0.698,299 0.512,300 0.512,301 3.929,303 1,304 1,305 1,306 1,307 530,308 2.236,311 47.456,312 207.371,315 90.419,319 1.465,320 20.069,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 51.333,332 239,333 4.6,334 3.205,335 6.714,336 4.136,337 3.167,338 4.535,339 0.4,340 10.928,341 3.073,342 4.151,343 2.976,344 5.871,345 3.714,346 2.776,347 3.816,349 8.377,350 2.616,351 3.666,352 2.752,353 5.548,354 3.524,355 2.57,356 2.959,358 7.433,359 2.431,360 3.514,361 2.423,362 5.235,363 3.174,364 2.22,365 2.68,367 6.515,368 2.113,369 3.294,370 2.299,371 4.919,372 2.984,373 2.075,374 2.449,376 5.747,377 1.89,378 3.046,379 1.957,380 4.664,381 2.674,382 1.786,383 2.319,385 5.04,386 1.504,387 2.978,388 1.547,389 4.501,390 2.513,391 1.547,392 2.128,394 4.23,395 1.487,396 2.895,397 1.456,398 4.004,399 2.372,400 1.434,401 1.969,403 3.443,404 1.327,405 2.524,406 1.037,407 3.564,408 2,409 1.028,410 1.535,412 2.559,413 1,414 2,415 1,416 3.414,417 1.986,418 1,419 1,421 2.275,422 0.98,423 1.973,424 0.499,425 3.094,426 1.427,427 0.489,428 0.721,430 1.179,431 0.457,432 1.305,433 0.385,434 2.97,435 1.136,436 0.195,437 0.208,439 0.483,440 0.183,441 0.954,442 0.207,443 2.556,444 0.54,445 -0.365,446 -0.433,448 -0.933,449 -0.243,450 0.843,451 -0.251,452 2.285,453 0.42,454 -0.439,455 -0.531,457 -1.135,458 -0.391,459 0.672,460 -0.616,461 2,462 0.193,463 -0.689,464 -0.873,466 -1.751,467 -0.608,468 11.614,469 0.484,470 0.571,471 0.024,472 31,473 1.292,474 14.5,475 0.604,476 16.5,477 0.688,478 19.973,479 0.832,480 25.586,481 0.595,482 19.712,483 0.821,484 5.599,485 0.233,486 6.088,487 0.254,488 0.096,490 0.344,496 0.94,497 1.336,498 0.648,499 0.919,500 0.938,501 0.86,502 0.648,503 1.229,504 0.698,505 1.068,506 0.578,507 1.015,508 0.996,509 1.158,510 0.815,511 0.96,512 0.928,513 0.955,514 0.79,515 0.872,516 0.711,517 0.817,518 0.807,519 0.839,520 0.935,521 0.819,522 0.827,523 0.761,524 0.878,525 0.788,526 1.288,527 1.073,528 1.234,529 1.004,530 1.221,531 0.972,532 1.534,533 0.91,534 1.805,535 1.216,536 1.424,537 1.154,538 1.541,539 1.037,540 1.707,541 1.274,542 1.588,543 1.244,544 5,545 0.058,546 2.222,547 1.632,548 1.103,549 0.507,550 0.636,551 0.267,552 0.218,553 0.091,554 6632,555 16699,556 2.161,557 44.2,559 5,560 1,561 1,562 4,564 8,567 1.67,568 2.057,569 3.289,570 1.819,571 1,572 1,574 1,577 67.622,578 1.573,579 3.744,580 4.478,581 4.729,582 4.915,583 4.915,584 2.736,585 4.054,586 4.557,587 3.408,588 940.624,589 7.867,590 10888.1,592 1,594 1,595 233.329,596 1.281,597 4.532,598 0.185,599 0.005,600 0.058,601 0.045,602 0.034,603 0.017,604 0.021,605 0.011,606 0.011,607 0.006,608 0.394,609 0.17,610 1,611 0.49,612 113.484,613 -0.134,614 -0.099,615 0.014,616 0.039,617 -0.114,618 0.057,619 0.175,620 -0.089,621 0.036,622 -0.107,623 0.204,624 -0.074,625 -0.095,626 -0.164,627 0.021,628 -0.014,629 -0.024,630 0.009,631 0.168,632 0.077,633 0.166,634 0.117,635 0.115,636 0.129,637 0.055,638 0.134,639 0.146,640 0.206,641 0.052,642 0.193,643 -0.071,644 -0.05,645 0.009,646 0.012,647 -0.114,648 -0.009,649 -0.157,650 0.065,651 -0.27,652 -0.141,653 -0.136,654 -0.166,655 -0.353,656 -0.059,657 -0.377,658 -0.221,659 -0.398,660 -0.254,661 1.242,662 2.111,663 0.875,664 18.833,665 1.003,666 1.136,667 3.065,668 9.393,669 0.68,670 3.332,671 3.664,672 3.932,673 4.234,674 4.454,675 4.511,676 4.635,677 4.779,678 4.804,679 4.875,680 5.772,681 0.643,682 342.87,683 3.332,684 4.875,685 5.727,686 6.611,687 7.479,688 8.368,689 9.245,690 10.137,691 11.018,692 11.911,693 14,694 1,698 1,701 1,703 3,708 2,709 5,710 3,711 1,714 4,716 16,728 1,734 1,735 43,737 16,739 27,741 46,742 17,743 11,748 4,749 5,750 1,757 6,760 6,762 11,763 6,779 1,780 1,783 19,784 5,785 4,786 7,787 1,792 6,797 0.75,809 1,810 1,811 1,815 1,816 3,819 1,836 1,843 3,848 1,851 24,852 1,858 4,860 1,863 2,873 1,881 11.667,882 7.41,883 5.167,884 2.665,886 3.213,887 1.435,888 1.02,889 4.293,890 10.598,891 3.584,892 4.201,893 4.811,894 5.457,895 5.989,896 6.343,897 6.791,898 7.249,899 7.454,900 7.826,901 0.857,902 36,903 8.848,905 3.816,906 7.616,907 17.171,909 14.587,911 2.116,912 50.778,915 1,916 176.567,917 71.863,918 118.05,919 39.149,923 71.863,924 215.715,925 118.05,927 43.035,928 37.476,929 81.854,930 33.919,931 56.319,932 153.024,934 176.567,935 189.913,937 39.149,939 84.726,940 94.169,943 70.584,944 48.634,945 68.367,946 39.149,947 176.567,948 118.05,949 111.012,952 176.567,953 25.34,954 46.524,955 34.796,956 122.402,957 176.567,958 118.05,959 111.012,961 0.583,962 0.334,963 0.187,964 0.105,965 20,966 8,967 0.065,968 3,969 1,970 1.095,971 3.681,972 200.694,973 0.095,974 21,975 106.039,981 15.67,982 6.575,983 3.356,984 1.793,985 101.265,986 9.282,987 13.333,988 3.143,991 2.669,993 67.693,994 405.628,995 35,1007 43.12,1008 48.84,1009 0.29,1010 0.69,1011 0.825,1012 0.871,1013 0.906,1014 0.906,1015 4.82,1016 1.434,1017 5.707,1018 4.23,1019 4.344,1020 4.887,1021 0.278,1022 6.506,1023 4.232,1024 6.019,1025 1.028,1026 7.251,1027 3.443,1028 3.892,1029 4.677,1031 7.345,1032 3.702,1033 7.32,1034 1,1035 8.89,1036 2.559,1037 5.922,1038 7.11,1039 0.05,1040 10.459,1041 5.723,1042 8.657,1043 0.489,1044 10.588,1045 2.275,1046 6.275,1047 7.778,1049 12.166,1050 6.025,1051 10.029,1052 0.195,1053 12.324,1054 1.179,1055 7.775,1056 9.678,1057 0.008,1058 14.796,1059 7.508,1060 11.426,1061 -0.365,1062 14.09,1063 0.483,1064 8.523,1065 10.782,1067 16.889,1068 8.219,1069 12.846,1070 -0.439,1071 15.878,1072 -0.933,1073 9.799,1074 12.453,1075 0.001,1076 19.354,1077 9.472,1078 3.167,1079 -0.689,1080 17.685,1081 -1.135,1082 10.745,1083 13.769,1085 21.617,1086 10.388,1087 2.776,1088 10.928,1089 19.507,1090 -1.751,1091 11.928,1092 15.34,1094 24.027,1095 11.546,1096 2.57,1097 8.377,1098 21.342,1099 4.535,1100 12.971,1101 16.756,1103 26.361,1104 12.563,1105 2.22,1106 7.433,1107 23.187,1108 3.816,1109 14.119,1110 18.285,1112 28.756,1113 13.685,1114 2.075,1115 6.515,1116 25.041,1117 2.959,1118 15.21,1119 19.748,1121 31.121,1122 14.75,1123 1.786,1124 5.747,1125 26.903,1126 2.68,1127 16.347,1128 21.262,1130 33.51,1131 15.862,1132 1.547,1133 5.04,1134 28.772,1135 2.449,1136 17.462,1137 22.747,1139 35.889,1140 16.952,1141 6220,1142 10051,1143 18.493,1144 29.222,1145 40.782,1146 40.828,1147 41.443,1148 40.79,1149 40.574,1150 52.639,1151 0.8,1152 116.418,1153 38.121,1154 5.6,1155 5.205,1156 6.396,1157 5.211,1158 5.167,1159 7.535,1160 0.8,1161 18.109,1162 5.073,1163 8.833,1164 1.51,1165 1.512,1166 1.535,1167 1.511,1168 1.503,1169 1.95,1170 0.03,1171 4.312,1172 1.412,1173 4.122,1174 4.163,1175 4.111,1176 4.006,1177 5.147,1178 4.022,1179 3.906,1180 3.965,1181 3.922,1182 3.771,1183 5.001,1184 3.769,1185 3.753,1186 3.803,1187 3.735,1188 3.611,1189 4.992,1190 3.623,1191 3.376,1192 3.441,1193 3.357,1194 3.24,1195 4.508,1196 3.241,1197 3.26,1198 3.353,1199 3.253,1200 3.034,1201 4.342,1202 3.039,1203 3.111,1204 3.206,1205 3.038,1206 2.941,1207 4.175,1208 2.91,1209 2.906,1210 2.979,1211 2.866,1212 2.707,1213 3.901,1214 2.732,1215 2.807,1216 2.906,1217 2.797,1218 2.55,1219 3.771,1220 2.564,1221 0.17,1222 0.119,1223 0.249,1224 0.153,1225 0.117,1226 4.6,1227 0.168,1228 3.205,1229 0.015,1230 6.714,1231 0.405,1232 4.136,1233 0.114,1234 3.167,1235 4.535,1236 0.4,1237 10.928,1238 3.073,1239 1.906,1240 1.871,1241 2.086,1242 2.058,1243 1.465,1244 2.068,1245 1.867,1246 1.818,1247 1.961,1248 2,1249 1.064,1250 1.992,1251 1.716,1252 1.67,1253 1.783,1254 1.903,1255 0.843,1256 1.88,1257 1.423,1258 1.365,1259 1.574,1260 1.638,1261 0.825,1262 1.628,1263 1.211,1264 1.126,1265 1.513,1266 1.485,1267 0.723,1268 1.49,1269 1.153,1270 1.064,1271 1.467,1272 1.376,1273 0.575,1274 1.429,1275 1.025,1276 0.974,1277 1.199,1278 1.18,1279 0.303,1280 1.193,1281 0.686,1282 0.589,1283 1.047,1284 1.064,1286 1.073,1287 4.007,1289 5.333,1290 2.398,1291 6.849,1292 4.727,1293 8.453,1294 6.843,1295 10.101,1298 6.222,1301 5.972,1303 4.18,1305 3.476,1308 0.708,1314 27.644,1315 67.622,1316 160.991,1317 192.574,1318 203.329,1319 211.329,1320 211.329,1321 32.217,1322 7.385,1323 92.51,1324 92.51,1325 23,1326 12.44,1327 4.087,1328 3.17,1329 33.843,1330 83,1331 90,1332 0.201,1333 172.874,1334 283.25,1335 413.571,1336 16016,1337 2.3,1338 16.518,1339 0.688,1340 0.58,1341 17.018,1342 13.923,1343 11.687,1344 0.433,1345 0.317,1346 8.117,1347 11.035,1348 7.961,1349 6.563,1350 11.975,1351 8.558,1352 10.75,1353 0.283,1354 0.175,1355 11.158,1356 6.645,1357 8.873,1358 0.177,1359 0.094,1360 9.109,1361 4.704,1362 7.745,1363 0.114,1364 0.05,1365 8.063,1366 3.409,1367 6.308,1368 0.074,1369 0.028,1370 6.54,1371 2.394,1372 0.312,1373 75.717,1374 0.233,1375 23.316,1376 0.56,1377 130,1378 335.117,1379 156.966,1380 362.947,1381 499.26,1382 340,1383 153,1384 359.539,1385 173.583,1386 374.178,1387 551.04,1388 354,1389 7.3}
{0 CHEMBL1983595,1 1.647,2 13.065,3 4.897,4 23.985,5 120.961,6 8.936,7 0.771,8 4.008,9 4.121,10 3.737,11 3.622,12 5.214,13 3.616,14 4.476,15 4.609,16 4.107,17 4.012,18 5.663,19 3.988,20 4.697,21 4.874,22 4.095,23 4.078,24 5.838,25 4.021,26 4.732,27 4.946,28 4.037,29 3.975,30 5.874,31 3.927,32 4.619,33 4.824,34 4.041,35 3.868,36 5.879,37 3.853,38 4.517,39 4.709,40 3.927,41 3.854,42 5.689,43 3.826,44 4.509,45 4.712,46 3.924,47 3.848,48 5.655,49 3.802,50 4.424,51 4.608,52 3.851,53 3.834,54 5.582,55 3.759,56 0.121,57 0.754,58 6.607,59 3.638,60 8.579,61 4.241,62 0.2,63 1.168,64 11.919,65 6.045,66 15.104,67 7.181,68 0.271,69 1.37,70 20.672,71 8.299,72 32.21,73 9.987,74 0.41,75 1.415,76 23.623,77 8.251,78 44.963,79 9.936,80 0.49,81 1.262,82 22.266,83 7.1,84 56.236,85 8.324,86 0.339,87 1.198,88 17.234,89 6.278,90 34.377,91 7.344,92 0.399,93 1.178,94 17.289,95 6.491,96 32.55,97 7.969,98 0.285,99 0.99,100 17.009,101 6.581,102 32.768,103 8.086,104 5,105 49,106 0.272,107 0.588,108 0.726,109 0.86,110 0.888,111 0.888,112 3.472,113 0.86,114 -5.5,115 -5.38,116 -5.02,119 47.9,125 1,142 12,143 4,144 1,146 2,151 1,153 1,158 1,166 2,168 1,172 14,174 1,175 5,178 1,179 1,180 3,183 16,188 11,191 1,193 5,196 9,200 14,203 1,205 6,208 2,212 1,213 13,218 5,221 4,224 1,225 7,228 2,230 1,233 9,237 2,238 3,241 4,243 2,246 16,249 1,250 3,258 15,263 2,264 5,269 2,272 11,276 1689,277 21.325,278 21.325,279 21.325,280 21.325,281 21.325,282 18.046,283 17.503,284 12.637,285 21.657,286 17.33,287 17.33,288 17.33,289 17.33,290 17.33,291 12.422,292 24.891,293 6.078,294 17.902,295 3.938,296 2.023,297 1.188,298 0.375,299 0.208,300 0.208,301 4.183,302 1,305 1,306 1,307 899,308 3.082,311 155.424,312 292.651,315 129.431,319 2.2,320 24.286,323 0.75,324 1,325 1,326 0.4,328 1,329 1,330 0.74,331 66.333,332 405,333 4.578,334 3.585,335 6.577,336 4.114,337 3.137,338 4.522,339 1.058,340 10.481,341 3.064,342 4.247,343 3.128,344 6.153,345 3.86,346 2.884,347 3.88,348 0.522,349 9.133,350 2.823,351 4.184,352 2.962,353 6.046,354 3.774,355 2.792,356 3.785,358 8.69,359 2.728,360 3.914,361 2.901,362 5.547,363 3.54,364 2.553,365 3.451,367 7.555,368 2.521,369 3.638,370 2.692,371 5.169,372 3.182,373 2.252,374 3.041,376 6.282,377 2.109,378 3.553,379 2.222,380 5.046,381 3.102,382 2.142,383 2.918,385 6.063,386 1.991,387 3.305,388 2.006,389 4.951,390 2.839,391 1.892,392 2.63,394 5.622,395 1.767,396 2.939,397 1.897,398 4.323,399 2.483,400 1.496,401 2.124,403 3.996,404 1.476,405 2.835,406 1.563,407 4.134,408 2.34,409 1.368,410 1.953,412 3.499,413 1.303,414 2.77,415 1.355,416 3.894,417 2.273,418 1.301,419 1.879,421 3.035,422 1.235,423 2.62,424 1.202,425 3.576,426 2.135,427 1.157,428 1.673,430 2.904,431 1.124,432 2.526,433 1.191,434 3.466,435 2.008,436 1.008,437 1.5,439 2.444,440 1.002,441 2.5,442 1,443 3.28,444 2,445 1,446 1.487,448 2.136,449 1,450 2.206,451 0.819,452 3.247,453 1.706,454 0.725,455 1.064,457 1.736,458 0.71,459 2.087,460 0.674,461 3.235,462 1.591,463 0.6,464 0.882,466 1.493,467 0.593,468 14.948,469 0.482,470 0.691,471 0.022,472 45.75,473 1.476,474 26,475 0.839,476 19.75,477 0.637,478 21.352,479 0.689,480 30.652,481 0.639,482 34.312,483 1.107,484 9.291,485 0.3,486 5.862,487 0.189,488 0.07,490 0.328,496 0.595,497 0.924,498 0.566,499 0.785,500 0.557,501 0.752,502 0.678,503 1.127,504 0.699,505 0.954,506 0.592,507 0.927,508 1.006,509 1.21,510 1.031,511 1.163,512 0.96,513 1.127,514 1.235,515 1.164,516 0.931,517 0.979,518 1.218,519 0.981,520 1.22,521 1.095,522 0.841,523 0.899,524 1.251,525 0.833,526 1.169,527 1.026,528 0.882,529 0.886,530 1.11,531 0.903,532 0.839,533 0.75,534 0.79,535 0.83,536 0.896,537 0.893,538 0.877,539 0.923,540 1.036,541 1.011,542 0.883,543 1.032,544 6,545 0.146,546 3.111,547 1.764,548 1.432,549 0.893,550 0.541,551 0.406,552 0.247,553 0.222,554 14743,555 43156,556 2.18,557 35.4,559 14,560 1,562 2,567 1.735,568 2.09,569 3.675,570 0.225,577 79.04,578 1.647,579 3.562,580 4.397,581 5.21,582 5.377,583 5.377,584 3.112,585 4.761,586 4.922,587 3.846,588 1788.41,589 8.589,590 26023.4,592 1,595 268.078,596 1.215,597 4.907,598 0.171,599 0.005,600 0.063,601 0.038,602 0.034,603 0.021,604 0.014,605 0.011,606 0.007,607 0.007,608 0.373,609 0.17,610 0.75,611 0.415,612 162.865,613 0.101,614 0.175,615 0.026,616 0.059,617 -0.033,618 0.04,619 0.073,620 -0.066,621 -0.017,622 -0.076,623 0.027,624 -0.086,625 -0.097,626 -0.22,627 -0.13,628 -0.211,629 -0.063,630 -0.185,631 -0.124,632 -0.151,633 -0.014,634 -0.03,635 -0.069,636 -0.016,637 0.038,638 -0.065,639 0.099,640 0.038,641 0.141,642 0.105,643 -0.119,644 0.04,645 -0.066,646 0.016,647 -0.093,648 -0.005,649 0.128,650 0.301,651 0.046,652 0.094,653 -0.015,654 0.041,655 0.026,656 0.029,657 -0.028,658 -0.013,659 0.038,660 -0.044,661 1.938,662 5.597,663 0.839,664 36.11,665 1.012,666 1.117,667 4.273,668 18.255,669 0.727,670 3.584,671 3.912,672 4.19,673 4.466,674 4.663,675 4.745,676 4.927,677 5.081,678 5.198,679 5.328,680 7.62,681 0.705,682 428.91,683 3.584,684 5.13,685 5.984,686 6.862,687 7.731,688 8.613,689 9.489,690 10.374,691 11.255,692 12.143,693 12.5,700 1,701 2,703 3,708 2,709 13,710 3,711 1,714 6,715 1,716 27,723 1,734 1,735 48,737 28,738 3,739 35,741 52,742 23,743 21,744 6,745 12,746 1,748 5,749 6,750 1,762 22,763 1,767 1,772 1,776 1,783 17,784 5,785 2,786 8,787 1,792 6,797 0.8,798 1,807 1,815 2,816 3,819 1,843 4,848 1,851 31,858 1,860 1,871 1,873 1,874 2.1,877 1,881 14.833,882 8.693,883 6.694,884 2.731,886 4.913,887 1.594,888 1.048,889 5.246,890 13.183,891 3.922,892 4.57,893 5.19,894 5.807,895 6.304,896 6.622,897 7.117,898 7.579,899 7.945,900 8.357,901 0.889,902 46,903 11.385,905 4.914,906 7.746,907 21.555,909 17.78,911 2.246,912 69.611,915 1,916 176.567,917 152.432,918 86.317,919 39.149,920 25.145,923 152.432,924 240.86,925 86.317,927 20.116,928 122.762,929 79.716,930 41.299,931 11.771,932 164.795,933 39.149,934 176.567,935 238.749,936 25.145,937 39.149,939 176.567,940 25.145,943 45.785,944 143.097,945 89.015,947 176.567,948 111.462,949 191.58,952 176.567,953 29.669,954 124.539,955 34.674,956 114.16,957 176.567,958 111.462,959 191.58,961 0.582,962 0.337,963 0.184,964 0.097,965 25,966 10,967 0.096,968 5,969 1,970 1.077,971 4.395,972 283.165,973 0.077,974 26,975 149.58,981 19.493,982 8.343,983 4.217,984 1.521,985 93.022,986 24.512,987 12.809,988 2.889,991 4.254,992 1.798,993 34.674,994 479.609,995 49.5,1000 12.597,1004 -0.271,1007 48.563,1008 53.634,1009 0.295,1010 0.638,1011 0.787,1012 0.933,1013 0.963,1014 0.963,1015 5.14,1016 1.496,1017 5.958,1018 5.622,1019 4.595,1020 5.257,1021 1.331,1022 6.751,1023 4.535,1024 6.36,1025 1.368,1026 7.501,1027 3.996,1028 4.111,1029 4.997,1031 7.573,1032 3.996,1033 7.666,1034 1.301,1035 9.139,1036 3.499,1037 6.172,1038 7.499,1039 1.297,1040 10.672,1041 6.063,1042 9.009,1043 1.157,1044 10.835,1045 3.035,1046 6.524,1047 8.103,1049 12.339,1050 6.376,1051 10.383,1052 1.008,1053 12.568,1054 2.904,1055 8.023,1056 10.025,1057 1.348,1058 14.927,1059 7.873,1060 11.78,1061 1,1062 14.328,1063 2.444,1064 8.764,1065 11.053,1067 16.952,1068 8.584,1069 13.195,1070 0.725,1071 16.106,1072 2.136,1073 10.031,1074 12.725,1075 1.425,1076 19.362,1077 9.841,1078 3.137,1079 0.6,1080 17.9,1081 1.736,1082 10.96,1083 13.975,1085 21.547,1086 10.744,1087 2.884,1088 10.481,1089 19.704,1090 1.493,1091 12.129,1092 15.535,1093 1.51,1094 23.894,1095 11.898,1096 2.792,1097 9.133,1098 21.518,1099 4.522,1100 13.151,1101 16.902,1103 26.154,1104 12.895,1105 2.553,1106 8.69,1107 23.339,1108 3.88,1109 14.281,1110 18.416,1111 1.599,1112 28.483,1113 14.007,1114 2.252,1115 7.555,1116 25.167,1117 3.785,1118 15.349,1119 19.844,1121 30.778,1122 15.051,1123 2.142,1124 6.282,1125 27,1126 3.451,1127 16.466,1128 21.341,1129 1.69,1130 33.105,1131 16.147,1132 1.892,1133 6.063,1134 28.837,1135 3.041,1136 17.558,1137 22.802,1139 35.42,1140 17.215,1141 13576,1142 23425,1143 24.156,1144 34.915,1145 53.379,1146 53.695,1147 53.287,1148 52.834,1149 52.611,1150 73.576,1151 3.16,1152 150.137,1153 50.893,1154 5.414,1155 5.585,1156 6.379,1157 5.155,1158 5.137,1159 7.522,1160 2.117,1161 17.294,1162 5.064,1163 10.536,1164 1.525,1165 1.534,1166 1.522,1167 1.51,1168 1.503,1169 2.102,1170 0.09,1171 4.29,1172 1.454,1173 4.131,1174 4.173,1175 4.107,1176 4.021,1177 7.429,1178 4.035,1179 3.95,1180 4.001,1181 3.992,1182 3.858,1183 5.14,1184 3.854,1185 3.91,1186 3.93,1187 3.895,1188 3.854,1189 5.027,1190 3.85,1191 3.772,1192 3.829,1193 3.728,1194 3.567,1195 4.926,1196 3.605,1197 3.419,1198 3.475,1199 3.47,1200 3.214,1201 4.736,1202 3.241,1203 3.219,1204 3.261,1205 3.268,1206 3.024,1207 4.332,1208 3.044,1209 3.038,1210 3.104,1211 3.07,1212 2.903,1213 4.3,1214 2.898,1215 2.878,1216 2.925,1217 2.908,1218 2.789,1219 3.916,1220 2.764,1221 0.131,1222 0.102,1223 0.188,1224 0.118,1225 0.09,1226 4.578,1227 0.129,1228 3.585,1229 0.03,1230 6.577,1231 0.299,1232 4.114,1233 0.088,1234 3.137,1235 4.522,1236 1.058,1237 10.481,1238 3.064,1239 1.951,1240 1.931,1241 2.046,1242 2.029,1243 1.185,1244 2.033,1245 1.912,1246 1.883,1247 2.014,1248 2.006,1249 1.151,1250 2.012,1251 1.889,1252 1.87,1253 1.973,1254 1.965,1255 1.07,1256 1.973,1257 1.464,1258 1.408,1259 1.618,1260 1.741,1261 0.76,1262 1.692,1263 1.419,1264 1.348,1265 1.539,1266 1.695,1267 0.55,1268 1.67,1269 1.214,1270 1.154,1271 1.337,1272 1.453,1273 0.431,1274 1.409,1275 1.062,1276 1.034,1277 1.21,1278 1.314,1279 0.245,1280 1.273,1281 0.886,1282 0.824,1283 1.181,1284 1.071,1285 0.218,1286 1.107,1287 4.263,1289 5.587,1290 3.045,1291 7.094,1292 5.352,1293 8.681,1294 7.402,1295 10.311,1298 5.992,1303 0.642,1305 2.868,1314 33.832,1315 79.04,1316 170.953,1317 211.059,1318 250.078,1319 258.078,1320 258.078,1321 44.682,1322 8.27,1323 88.49,1324 88.49,1325 28,1326 12.675,1327 4.858,1328 3.954,1329 43.762,1330 141,1331 144,1332 0.149,1333 209.466,1334 345.84,1335 502.857,1336 52045,1337 2.1,1338 21.209,1339 0.684,1340 0.55,1341 21.709,1342 17.044,1343 15.153,1344 0.433,1345 0.287,1346 9.566,1347 14.361,1348 9.357,1349 7.747,1350 15.442,1351 10.029,1352 13.758,1353 0.281,1354 0.153,1355 14.166,1356 7.518,1357 11.699,1358 0.18,1359 0.079,1360 11.961,1361 5.136,1362 9.919,1363 0.115,1364 0.041,1365 10.172,1366 3.549,1367 7.855,1368 0.075,1369 0.022,1370 8.089,1371 2.311,1372 0.238,1373 97.508,1374 0.203,1375 29.491,1376 0.398,1377 168,1378 491.185,1379 196.863,1380 516.722,1381 707.12,1382 482,1383 198,1384 516.663,1385 222.907,1386 533.666,1387 773.62,1388 502,1389 5.5}
{0 CHEMBL1983923,1 1.426,2 10.286,3 4.016,4 16.124,5 113.771,6 7.085,7 0.548,8 4.068,9 4.214,10 3.606,11 3.566,12 5.117,13 3.545,14 4.596,15 4.806,16 3.933,17 3.933,18 5.588,19 3.891,20 4.802,21 5.04,22 3.877,23 4.053,24 5.704,25 3.96,26 4.87,27 5.148,28 3.787,29 4.017,30 5.705,31 3.886,32 4.75,33 5.023,34 3.828,35 3.922,36 5.639,37 3.84,38 4.662,39 4.893,40 3.882,41 3.923,42 5.646,43 3.867,44 4.717,45 4.953,46 3.87,47 3.968,48 5.683,49 3.896,50 4.764,51 5.01,52 3.812,53 4.009,54 5.635,55 3.907,56 0.068,57 0.861,58 11.686,59 4.229,60 9.779,61 6.267,62 0.269,63 1.335,64 21.507,65 6.672,66 23.534,67 10.278,68 0.311,69 1.516,70 27.165,71 8.394,72 27.797,73 13.043,74 0.33,75 1.487,76 30.143,77 9.975,78 33.848,79 15.345,80 0.306,81 1.375,82 26.739,83 7.776,84 30.691,85 12.457,86 0.269,87 1.366,88 23.52,89 6.705,90 28.816,91 10.72,92 0.351,93 1.42,94 25.011,95 7.328,96 32.552,97 11.488,98 0.222,99 1.428,100 26.215,101 8.493,102 26.33,103 13.157,104 5,105 42,106 0.236,107 0.573,108 0.737,109 0.823,110 0.832,111 0.832,112 3.375,113 0.92,114 -5.69,115 -5.56,116 -5.18,119 39.6,120 1,124 1,125 4,135 2,142 7,143 1,147 3,149 1,152 1,168 1,172 8,174 2,175 6,178 2,180 4,183 10,187 1,188 3,192 1,196 7,199 2,200 5,203 2,205 2,208 5,212 1,213 6,216 1,218 2,221 2,224 2,225 9,230 1,233 3,237 1,238 6,241 3,243 3,246 3,250 6,255 3,258 4,263 1,264 5,269 2,272 4,276 1300,277 19.118,278 19.118,279 19.118,280 19.118,281 19.118,282 16.944,283 24.019,284 11.52,285 19.613,286 15.37,287 15.37,288 15.37,289 15.37,290 15.37,291 12.089,292 41.924,293 5.604,294 16.167,295 4.302,296 2.269,297 1.281,298 0.76,299 0.708,300 0.708,301 4.074,305 1,306 1,307 626,308 2.646,311 81.051,312 286.887,319 1.5,320 13.873,322 1,323 0.75,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.86,331 59.5,332 288,333 4.295,334 3.179,335 6.216,336 3.906,337 2.976,338 3.924,339 0.8,340 9.396,341 2.767,342 4.08,343 2.904,344 5.679,345 3.665,346 2.721,347 3.694,348 0.8,349 7.944,350 2.573,351 3.946,352 2.704,353 5.455,354 3.548,355 2.57,356 3.503,357 0.4,358 7.279,359 2.529,360 3.695,361 2.545,362 5.32,363 3.417,364 2.465,365 2.907,367 6.91,368 2.322,369 3.43,370 2.469,371 5.02,372 3.114,373 2.199,374 2.712,376 6.016,377 2.013,378 3.306,379 2.209,380 4.993,381 3.032,382 2.083,383 2.362,385 5.979,386 1.971,387 3.031,388 1.826,389 4.533,390 2.619,391 1.67,392 2.196,394 4.676,395 1.582,396 2.94,397 1.508,398 4.222,399 2.476,400 1.484,401 2.113,403 3.74,404 1.471,405 2.539,406 1.443,407 3.635,408 2.231,409 1.302,410 1.54,412 3.134,413 1.206,414 2.5,415 1.146,416 3.414,417 2,418 1,419 1.5,421 2.275,422 1,423 2.31,424 1,425 3.274,426 1.967,427 1,428 1.07,430 2.136,431 0.965,432 2.207,433 0.771,434 3.247,435 1.713,436 0.731,437 1,439 1.735,440 0.717,441 2,442 0.612,443 3.12,444 1.591,445 0.609,446 0.988,448 1.441,449 0.597,450 1.199,451 0.098,452 2.892,453 0.849,454 -0.083,455 -0.103,457 -0.244,458 -0.077,459 0.986,460 0.025,461 2.657,462 0.8,463 -0.152,464 -0.16,466 -0.346,467 -0.144,468 13.3,469 0.475,470 0.605,471 0.022,472 37.5,473 1.339,474 18.5,475 0.661,476 19,477 0.679,478 21.796,479 0.778,480 29.9,481 0.564,482 26.859,483 0.959,484 7.585,485 0.271,486 6.068,487 0.217,488 0.075,490 0.286,496 0.943,497 1.485,498 0.834,499 1.155,500 0.88,501 1.009,502 1.127,503 1.114,504 0.914,505 0.941,506 0.666,507 0.906,508 1.295,509 1.064,510 1.16,511 1.053,512 1.188,513 1.083,514 0.758,515 0.959,516 0.914,517 1.001,518 0.917,519 0.981,520 1.125,521 0.953,522 0.834,523 0.785,524 1.049,525 0.774,526 1.361,527 1.176,528 1.009,529 0.963,530 1.252,531 0.944,532 1.332,533 1.005,534 1.106,535 0.96,536 1.476,537 0.997,538 1.127,539 1.119,540 1.048,541 1.056,542 1.046,543 1.044,544 6,545 0.14,546 2,547 1.444,548 1.027,549 0.82,550 0.446,551 0.457,552 0.311,553 0.166,554 10136,555 22786,556 2.137,557 47.2,559 20,562 2,563 3,567 1.716,568 2.049,569 3.354,570 0.247,572 1,577 75.593,578 1.426,579 3.459,580 4.446,581 4.968,582 5.02,583 5.02,584 2.683,585 4.307,586 4.775,587 3.53,588 1334.49,589 8.337,590 18142.3,592 1,594 1,595 303.58,596 1.198,597 4.76,598 0.194,599 0.006,600 0.048,601 0.038,602 0.03,603 0.022,604 0.011,605 0.012,606 0.009,607 0.005,608 0.375,609 0.17,610 0.88,611 0.444,612 140.656,613 0.066,614 -0.242,615 0.076,616 -0.098,617 0.007,618 -0.024,619 0.087,620 0.032,621 0.056,622 0.03,623 0.279,624 0.037,625 -0.168,626 0.009,627 -0.186,628 -0.085,629 -0.175,630 -0.129,631 0.163,632 -0.017,633 0.071,634 -0.015,635 0.115,636 0.011,637 0.016,638 0.038,639 0.171,640 0.158,641 0.074,642 0.18,643 -0.092,644 -0.071,645 -0.021,646 -0.021,647 -0.018,648 -0.013,649 -0.067,650 0.096,651 -0.119,652 -0.02,653 -0.218,654 -0.067,655 -0.146,656 -0.092,657 -0.081,658 -0.062,659 -0.105,660 -0.063,661 0.991,662 1.785,663 0.821,664 28.857,665 0.994,666 1.136,667 4.459,668 19.886,669 0.658,670 3.466,671 3.761,672 3.97,673 4.22,674 4.419,675 4.454,676 4.605,677 4.771,678 4.905,679 4.99,680 6.534,681 0.621,682 375.53,683 3.466,684 4.99,685 5.814,686 6.671,687 7.509,688 8.37,689 9.216,690 10.08,691 10.931,692 11.797,693 13.2,696 1,699 1,701 2,703 3,709 7,710 3,711 1,714 6,716 17,728 1,730 1,735 53,737 18,738 1,739 31,741 56,742 21,743 13,744 1,745 5,746 2,748 4,749 4,754 1,762 15,763 6,767 1,774 2,780 1,783 25,784 6,785 2,786 7,792 7,797 1,807 1,810 1,815 1,816 3,834 2,839 1,843 4,847 2,851 28,858 4,860 1,864 2,881 13.667,882 10,883 6.111,884 3.11,886 3.145,887 1.427,888 1.002,889 5.699,890 10.505,891 3.726,892 4.28,893 4.799,894 5.345,895 5.784,896 5.986,897 6.445,898 6.851,899 7.293,900 7.636,901 0.857,902 38,903 10.301,905 4.243,906 7.5,907 20.103,909 16.191,911 2,912 56,914 1,915 1,916 270.735,917 126.185,918 91.156,923 126.185,924 270.735,925 91.156,926 17.222,927 8.423,928 85.286,929 50.234,930 46.436,931 9.741,932 270.735,934 270.735,935 217.341,939 273.063,943 55.046,944 90.781,945 69.187,947 270.735,948 91.156,949 126.185,952 270.735,953 23.677,954 108.756,955 34.674,956 50.234,957 270.735,958 91.156,959 126.185,961 0.575,962 0.318,963 0.169,964 0.094,965 20,966 8,967 0.089,968 5,970 1,971 4.096,972 238.612,974 23,975 126.606,981 18.665,982 8.549,983 4.986,985 74.493,986 14.128,987 13.7,988 2.947,991 5.218,993 34.674,994 488.076,995 40.5,1002 3.988,1007 52.665,1008 60.225,1009 0.249,1010 0.604,1011 0.776,1012 0.867,1013 0.876,1014 0.876,1015 4.943,1016 1.484,1017 5.771,1018 4.676,1019 4.443,1020 4.966,1021 1.176,1022 6.503,1023 4.342,1024 6.119,1025 1.302,1026 7.273,1027 3.74,1028 3.892,1029 4.543,1030 0.57,1031 7.168,1032 3.703,1033 7.39,1034 1,1035 8.863,1036 3.134,1037 5.964,1038 7.059,1039 0.679,1040 10.226,1041 5.752,1042 8.689,1043 1,1044 10.505,1045 2.275,1046 6.196,1047 7.44,1048 0.479,1049 11.697,1050 5.892,1051 10.018,1052 0.731,1053 12.179,1054 2.136,1055 7.719,1056 9.4,1057 0.438,1058 14.238,1059 7.391,1060 11.365,1061 0.609,1062 13.876,1063 1.735,1064 8.336,1065 10.189,1066 0.346,1067 16.084,1068 7.918,1069 12.729,1070 -0.083,1071 15.59,1072 1.441,1073 9.61,1074 11.876,1075 0.292,1076 18.426,1077 9.158,1078 2.976,1079 -0.152,1080 17.318,1081 -0.244,1082 10.432,1083 12.893,1084 0.237,1085 20.461,1086 9.892,1087 2.721,1088 9.396,1089 19.057,1090 -0.346,1091 11.586,1092 14.433,1093 0.195,1094 22.725,1095 11.004,1096 2.57,1097 7.944,1098 20.805,1099 3.924,1100 12.52,1101 15.582,1102 0.158,1103 24.857,1104 11.852,1105 2.465,1106 7.279,1107 22.561,1108 3.694,1109 13.62,1110 17.039,1111 0.129,1112 27.093,1113 12.899,1114 2.199,1115 6.91,1116 24.324,1117 3.503,1118 14.614,1119 18.267,1120 0.104,1121 29.274,1122 13.811,1123 2.083,1124 6.016,1125 26.094,1126 2.907,1127 15.69,1128 19.676,1129 0.084,1130 31.502,1131 14.827,1132 1.67,1133 5.979,1134 27.869,1135 2.712,1136 16.718,1137 20.951,1138 0.068,1139 33.709,1140 15.774,1141 9567,1142 14511,1143 21.266,1144 34.893,1145 46.59,1146 45.376,1147 46.173,1148 45.735,1149 45.622,1150 59.016,1151 4,1152 125.322,1153 43.427,1154 5.295,1155 5.179,1156 6.018,1157 4.989,1158 4.976,1159 6.924,1160 1.2,1161 15.697,1162 4.767,1163 10.11,1164 1.503,1165 1.464,1166 1.489,1167 1.475,1168 1.472,1169 1.904,1170 0.129,1171 4.043,1172 1.401,1173 4.006,1174 4.063,1175 3.959,1176 3.889,1177 5.063,1178 3.891,1179 3.903,1180 3.953,1181 3.842,1182 3.769,1183 4.936,1184 3.787,1185 3.856,1186 3.914,1187 3.784,1188 3.671,1189 4.759,1190 3.693,1191 3.707,1192 3.773,1193 3.613,1194 3.523,1195 4.379,1196 3.535,1197 3.327,1198 3.382,1199 3.222,1200 3.227,1201 4.178,1202 3.22,1203 3.191,1204 3.294,1205 3.036,1206 2.941,1207 4.048,1208 2.936,1209 3.111,1210 3.206,1211 2.866,1212 2.93,1213 3.83,1214 2.91,1215 3.046,1216 3.149,1217 2.844,1218 2.826,1219 3.751,1220 2.814,1221 0.139,1222 0.103,1223 0.201,1224 0.126,1225 0.096,1226 4.295,1227 0.127,1228 3.179,1229 0.026,1230 6.216,1231 0.303,1232 3.906,1233 0.089,1234 2.976,1235 3.924,1236 0.8,1237 9.396,1238 2.767,1239 1.93,1240 1.901,1241 2.045,1242 2.066,1243 1.291,1244 2.054,1245 1.833,1246 1.778,1247 1.996,1248 1.987,1249 1.105,1250 2.001,1251 1.679,1252 1.614,1253 1.823,1254 1.884,1255 0.9,1256 1.87,1257 1.582,1258 1.527,1259 1.778,1260 1.787,1261 0.829,1262 1.785,1263 1.365,1264 1.308,1265 1.555,1266 1.608,1267 0.825,1268 1.577,1269 1.258,1270 1.18,1271 1.519,1272 1.487,1273 0.641,1274 1.511,1275 1.153,1276 1.064,1277 1.513,1278 1.376,1279 0.573,1280 1.429,1281 1.122,1282 1.022,1283 1.365,1284 1.365,1285 0.402,1286 1.386,1287 4.143,1289 5.442,1290 2.398,1291 6.919,1292 4.595,1293 8.473,1294 6.529,1295 10.069,1297 4.125,1303 3.966,1305 3.287,1309 4.641,1314 32.891,1315 75.593,1316 183.341,1317 235.664,1318 263.315,1319 266.07,1320 266.07,1321 32.226,1322 7.361,1323 72.97,1324 72.97,1325 23,1326 12.347,1327 4.248,1328 3.392,1329 42.13,1330 109,1331 108,1332 0.186,1333 203.85,1334 342.96,1335 489.153,1336 14835,1338 19.347,1339 0.691,1340 0.581,1341 19.347,1342 16.261,1343 13.653,1344 0.44,1345 0.307,1346 9.361,1347 13.116,1348 9.087,1349 7.59,1350 13.653,1351 9.503,1352 12.321,1353 0.293,1354 0.168,1355 12.321,1356 7.065,1357 9.844,1358 0.189,1359 0.091,1360 9.844,1361 4.744,1362 8.144,1363 0.122,1364 0.047,1365 8.144,1366 3.137,1367 6.506,1368 0.079,1369 0.026,1370 6.506,1371 2.129,1372 0.29,1373 85.323,1374 0.217,1375 26.8,1376 0.518,1377 146,1378 374.891,1379 159.988,1380 372.917,1381 525.06,1382 352,1383 167,1384 403.916,1385 181.821,1386 411.482,1387 593.86,1388 386,1389 5.4}
{0 CHEMBL1983932,1 1.778,2 10.043,3 3.064,4 9.387,5 89.497,6 10.368,7 0.68,8 3.713,9 3.816,10 3.558,11 3.287,12 4.939,13 3.288,14 4.169,15 4.302,16 3.976,17 3.624,18 5.438,19 3.61,20 4.342,21 4.506,22 3.975,23 3.725,24 5.52,25 3.688,26 4.334,27 4.508,28 3.941,29 3.651,30 5.579,31 3.596,32 4.339,33 4.547,34 3.704,35 3.544,36 5.536,37 3.486,38 4.201,39 4.4,40 3.824,41 3.366,42 5.539,43 3.346,44 3.993,45 4.17,46 3.444,47 3.324,48 5.141,49 3.26,50 3.953,51 4.149,52 3.599,53 3.342,54 5.122,55 3.247,56 0.087,57 0.538,58 3.204,59 2.816,60 5.796,61 3.001,62 0.321,63 0.816,64 8.991,65 4.652,66 21.239,67 5.105,68 0.33,69 0.949,70 15.295,71 5.789,72 30.486,73 5.928,74 0.365,75 0.925,76 16.096,77 5.971,78 27.436,79 6.812,80 0.341,81 0.878,82 23.161,83 6.48,84 34.403,85 7.209,86 0.47,87 0.751,88 16.867,89 5.119,90 46.099,91 5.559,92 0.271,93 0.63,94 13.027,95 4.396,96 28.367,97 4.563,98 0.301,99 0.621,100 9.735,101 4.361,102 23.146,103 5.314,104 11,105 34,106 0.319,107 0.657,108 0.787,109 0.895,110 0.904,111 0.904,112 3.188,113 0.91,114 -3.48,115 -3.46,116 -3.3,118 1,119 44.4,124 1,142 7,143 1,144 2,145 1,146 1,147 2,159 1,172 4,175 8,178 3,179 1,180 3,183 6,188 3,193 2,196 3,199 2,200 5,203 2,205 7,208 3,213 2,218 2,224 1,225 7,228 2,230 4,233 2,238 1,246 3,249 2,250 3,253 1,258 7,264 1,272 4,276 721,277 15.61,278 15.61,279 15.61,280 15.61,281 15.61,282 13.42,283 17.68,284 9.285,285 16.189,286 12.309,287 12.309,288 12.309,289 12.309,290 12.309,291 8.987,292 24.957,293 4.364,294 13.204,295 3.392,296 1.511,297 0.789,298 0.188,299 0.132,300 0.132,301 3.871,304 1,305 1,306 1,307 492,308 3,312 191.205,316 99.061,319 1.531,320 20.511,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 49.75,332 231,333 4.524,334 3.571,335 6.527,336 4.047,337 3.069,338 4.462,339 1.656,340 10.296,341 3,342 4.072,343 3.093,344 5.602,345 3.627,346 2.703,347 3.662,348 0.86,349 7.732,350 2.5,351 3.803,352 2.933,353 5.439,354 3.389,355 2.451,356 3.237,357 0.247,358 7.153,359 2.288,360 3.583,361 2.706,362 5.106,363 3.155,364 2.226,365 2.854,367 6.175,368 2.051,369 3.293,370 2.3,371 4.877,372 2.822,373 1.914,374 2.604,376 5.487,377 1.731,378 3.145,379 2.024,380 4.544,381 2.639,382 1.694,383 2.361,385 4.658,386 1.506,387 2.986,388 1.558,389 4.133,390 2.482,391 1.511,392 2.2,394 3.699,395 1.453,396 2.659,397 1.274,398 3.481,399 2.141,400 1.183,401 1.731,403 2.591,404 1.09,405 2.403,406 1.094,407 3.392,408 1.918,409 0.948,410 1.354,412 2.193,413 0.916,414 1.641,415 0.995,416 2.955,417 1.345,418 0.477,419 0.536,421 0.749,422 0.41,423 1.324,424 0.579,425 2.805,426 0.968,427 0.034,428 0.041,430 0.091,431 0.032,432 1.183,433 0.243,434 2.441,435 0.738,436 -0.254,437 -0.346,439 -0.616,440 -0.204,441 0.905,442 0.174,443 2.274,444 0.447,445 -0.435,446 -0.54,448 -1.021,449 -0.265,450 0.886,451 -0.248,452 2.166,453 0.313,454 -0.5,455 -0.674,457 -1.064,458 -0.468,459 0.744,460 -0.42,461 2,462 0.267,463 -0.729,464 -1.041,466 -1.984,467 -0.715,468 11.6,469 0.504,470 0.52,471 0.023,472 34.25,473 1.489,474 19,475 0.826,476 15.25,477 0.663,478 15.173,479 0.66,480 23.2,481 0.644,482 22.626,483 0.984,484 6.806,485 0.296,486 4.346,487 0.189,488 0.187,490 0.302,496 0.843,497 1.278,498 0.477,499 0.803,500 0.644,501 0.781,502 0.824,503 1.037,504 0.579,505 0.805,506 0.603,507 0.829,508 1.253,509 1.114,510 0.808,511 0.861,512 1.148,513 0.915,514 0.798,515 1.14,516 0.792,517 1.084,518 0.838,519 1.128,520 1.193,521 1.111,522 0.852,523 1.022,524 1.474,525 1.016,526 1.182,527 0.887,528 0.575,529 0.836,530 1.692,531 0.84,532 1.355,533 0.988,534 0.828,535 0.891,536 1.508,537 1.008,538 0.43,539 0.805,540 0.7,541 0.773,542 0.383,543 0.927,544 5,545 0.07,546 2,547 1.625,548 1.209,549 0.694,550 0.383,551 0.262,552 0.148,553 0.137,554 5729,555 19662,556 2.067,557 36.1,559 10,561 1,562 2,567 1.656,568 1.944,569 3.301,570 0.364,571 1,572 1,577 64.012,578 1.778,579 3.659,580 4.381,581 4.982,582 5.038,583 5.038,584 2.757,585 4.437,586 4.496,587 3.448,588 872.269,589 7.732,590 9989.52,591 1,592 1,593 1,594 1,595 186.117,596 1.371,597 4.458,598 0.2,599 0.006,600 0.059,601 0.048,602 0.04,603 0.027,604 0.016,605 0.013,606 0.007,607 0.008,608 0.424,609 0.5,610 1,611 0.777,612 108.154,613 -0.109,614 -0.173,615 -0.002,616 -0.037,617 -0.103,618 0.003,619 0.13,620 0.027,621 0.032,622 0.017,623 0.105,624 0.005,625 -0.277,626 -0.065,627 -0.061,628 0.007,629 -0.204,630 -0.04,631 0.122,632 -0.122,633 -0.028,634 -0.201,635 0.099,636 -0.215,637 -0.154,638 -0.157,639 -0.058,640 -0.1,641 -0.094,642 -0.033,643 0.11,644 0.082,645 0.102,646 0.042,647 0.076,648 0.101,649 -0.309,650 -0.011,651 -0.09,652 0.008,653 -0.311,654 -0.077,655 0.313,656 0.185,657 0.06,658 0.143,659 0.21,660 0.057,661 2.043,662 5.137,663 0.696,664 18.163,665 1.02,666 1.12,667 2.25,668 5.061,669 0.725,670 3.258,671 3.555,672 3.784,673 4.043,674 4.248,675 4.263,676 4.277,677 4.369,678 4.369,679 4.304,680 5.91,681 0.699,682 373.23,683 3.258,684 4.779,685 5.609,686 6.475,687 7.322,688 8.193,689 9.046,690 9.92,691 10.776,692 11.651,693 11.1,700 2,703 2,708 2,709 8,710 2,714 4,716 17,733 1,734 1,735 36,737 18,738 1,739 25,740 1,741 38,742 16,743 14,744 3,745 3,748 3,749 4,753 1,762 15,763 1,767 1,772 1,776 1,779 1,780 1,783 13,784 6,785 2,786 7,787 1,792 4,797 0.667,798 2,809 2,816 3,820 1,843 2,846 1,847 1,851 23,860 2,861 1,873 1,874 5.6,877 1,879 1,881 11.833,882 6.793,883 5.139,884 1.905,886 3.295,887 1.476,888 0.999,889 4.743,890 10.222,891 3.57,892 4.19,893 4.764,894 5.379,895 5.946,896 6.171,897 6.457,898 6.83,899 7.095,900 7.015,901 0.857,902 34,903 8.42,905 3.492,906 7.844,907 15.721,909 12.295,911 2.344,912 53.917,916 129.482,917 108.212,918 115.547,920 36.145,923 154.166,924 165.627,925 69.593,926 10.883,927 36.022,928 66.334,929 70.487,930 32.765,931 9.23,932 163.665,934 129.482,935 177.804,936 36.145,938 45.954,939 129.482,940 36.145,943 47.213,944 97.02,945 33.571,946 45.954,947 129.482,948 105.737,949 154.166,952 129.482,953 21.947,954 86.264,955 81.976,956 69.716,957 129.482,958 105.737,959 154.166,961 0.573,962 0.329,963 0.182,964 0.1,965 16,966 7,967 0.079,968 3,969 1,970 1.125,971 3.555,972 178.158,973 0.125,974 16,975 104.042,981 15.716,982 6.941,983 3.782,984 1.563,985 105.737,986 14.149,987 8.439,991 2.476,993 36.022,994 389.385,995 34.5,1000 12.137,1004 -0.376,1007 36.709,1008 40.33,1009 0.344,1010 0.708,1011 0.847,1012 0.964,1013 0.974,1014 0.974,1015 4.773,1016 1.183,1017 5.58,1018 3.699,1019 4.234,1020 4.875,1021 1.985,1022 6.347,1023 4.112,1024 5.985,1025 0.948,1026 7.107,1027 2.591,1028 3.761,1029 4.677,1030 1.195,1031 7.14,1032 3.553,1033 7.288,1034 0.477,1035 8.73,1036 2.193,1037 5.784,1038 7.114,1039 2.508,1040 10.218,1041 5.57,1042 8.625,1043 0.034,1044 10.408,1045 0.749,1046 6.089,1047 7.719,1048 2.324,1049 11.844,1050 5.816,1051 9.99,1052 -0.254,1053 12.123,1054 0.091,1055 7.589,1056 9.642,1057 3.275,1058 14.442,1059 7.309,1060 11.376,1061 -0.435,1062 13.866,1063 -0.616,1064 8.285,1065 10.668,1066 3.407,1067 16.453,1068 7.968,1069 12.781,1070 -0.5,1071 15.629,1072 -1.021,1073 9.555,1074 12.356,1075 4.165,1076 18.878,1077 9.227,1078 3.069,1079 -0.729,1080 17.409,1081 -1.064,1082 10.452,1083 13.61,1084 4.464,1085 21.067,1086 10.101,1087 2.703,1088 10.296,1089 19.204,1090 -1.984,1091 11.62,1092 15.187,1093 5.114,1094 23.429,1095 11.256,1096 2.451,1097 7.732,1098 21.011,1099 4.462,1100 12.621,1101 16.559,1102 5.504,1103 25.697,1104 12.24,1105 2.226,1106 7.153,1107 22.828,1108 3.662,1109 13.747,1110 18.086,1111 6.092,1112 28.037,1113 13.353,1114 1.914,1115 6.175,1116 24.655,1117 3.237,1118 14.801,1119 19.519,1120 6.531,1121 30.34,1122 14.392,1123 1.694,1124 5.487,1125 26.489,1126 2.854,1127 15.912,1128 21.024,1129 7.084,1130 32.673,1131 15.489,1132 1.511,1133 4.658,1134 28.329,1135 2.604,1136 16.993,1137 22.487,1138 7.551,1139 34.991,1140 16.555,1141 5585,1142 10479,1143 16.701,1144 26.091,1145 36.62,1146 37.918,1147 37.882,1148 36.564,1149 36.422,1150 50.085,1151 5.526,1152 101.646,1153 33.953,1154 5.392,1155 5.571,1156 6.083,1157 5.106,1158 5.069,1159 7.462,1160 2.912,1161 17.182,1162 5,1163 10.535,1164 1.465,1165 1.517,1166 1.515,1167 1.463,1168 1.457,1169 2.003,1170 0.221,1171 4.066,1172 1.358,1173 4.075,1174 4.101,1175 6.88,1176 3.994,1177 7.431,1178 4.002,1179 3.87,1180 3.91,1181 4.04,1182 3.774,1183 5.022,1184 3.768,1185 3.553,1186 3.588,1187 3.744,1188 3.391,1189 4.888,1190 3.405,1191 3.373,1192 3.418,1193 3.477,1194 3.109,1195 4.652,1196 3.151,1197 3.173,1198 3.249,1199 3.291,1200 2.93,1201 4.168,1202 2.931,1203 2.975,1204 3.041,1205 2.986,1206 2.857,1207 4.099,1208 2.825,1209 2.831,1210 2.869,1211 2.856,1212 2.772,1213 3.893,1214 2.733,1215 2.732,1216 2.809,1217 2.642,1218 2.542,1219 3.857,1220 2.541,1221 0.181,1222 0.143,1223 0.261,1224 0.162,1225 0.123,1226 4.524,1227 0.178,1228 3.571,1229 0.066,1230 6.527,1231 0.412,1232 4.047,1233 0.12,1234 3.069,1235 4.462,1236 1.656,1237 10.296,1238 3,1239 2.028,1240 2.006,1241 2.093,1242 2.126,1243 1.215,1244 2.117,1245 1.814,1246 1.78,1247 1.891,1248 1.952,1249 0.94,1250 1.943,1251 1.488,1252 1.453,1253 1.655,1254 1.694,1255 0.677,1256 1.678,1257 1.233,1258 1.185,1259 1.52,1260 1.544,1261 0.548,1262 1.514,1263 1.152,1264 1.072,1265 1.364,1266 1.413,1267 0.298,1268 1.439,1269 0.947,1270 0.891,1271 1.159,1272 1.142,1273 0.216,1274 1.149,1275 0.797,1276 0.762,1277 0.999,1278 0.971,1279 0.066,1280 0.994,1281 0.67,1282 0.606,1283 0.869,1284 0.892,1286 0.914,1287 3.932,1289 5.231,1291 6.73,1293 8.322,1295 9.964,1296 3.262,1297 1.599,1305 5.486,1306 5.181,1314 25.174,1315 64.012,1316 131.711,1317 157.711,1318 179.362,1319 181.362,1320 181.362,1321 31.22,1322 6.927,1323 76.14,1324 76.14,1325 18,1326 12.195,1327 4.248,1328 3.392,1329 36.918,1330 81,1331 80,1332 0.223,1333 162.805,1334 272.68,1335 389.003,1336 9156,1337 2.8,1338 16.234,1339 0.706,1340 0.6,1341 17.234,1342 13.794,1343 11.152,1344 0.446,1345 0.303,1346 6.717,1347 10.118,1348 6.516,1349 5.425,1350 11.73,1351 7.582,1352 9.917,1353 0.292,1354 0.161,1355 10.733,1356 5.479,1357 7.968,1358 0.185,1359 0.084,1360 8.493,1361 3.596,1362 6.813,1363 0.122,1364 0.044,1365 7.35,1366 2.455,1367 5.354,1368 0.078,1369 0.022,1370 5.685,1371 1.545,1372 0.35,1373 78.656,1374 0.245,1375 22.671,1376 0.609,1377 118,1378 394.081,1379 198.95,1380 416.144,1381 555.58,1382 388,1383 136,1384 380.704,1385 176.077,1386 398.284,1387 577.11,1388 373,1389 5.1}
{0 CHEMBL1983945,1 1.486,2 13.138,3 2.114,4 4.469,5 113.915,6 7.67,7 0.688,8 4.01,9 4.137,10 3.601,11 3.597,12 5.181,13 3.578,14 4.478,15 4.633,16 3.921,17 3.976,18 5.599,19 3.93,20 4.739,21 4.941,22 3.928,23 4.075,24 5.853,25 3.991,26 4.785,27 5.022,28 3.797,29 4.002,30 5.822,31 3.901,32 4.699,33 4.934,34 3.794,35 3.922,36 5.794,37 3.834,38 4.672,39 4.901,40 3.805,41 3.89,42 5.829,43 3.815,44 4.659,45 4.905,46 3.706,47 3.83,48 5.764,49 3.749,50 4.498,51 4.728,52 3.578,53 3.726,54 5.593,55 3.642,56 0.042,57 0.752,58 9.418,59 4.064,60 11.493,61 5.294,62 0.122,63 1.164,64 16.078,65 6.768,66 21.106,67 9.024,68 0.26,69 1.424,70 23.381,71 9.19,72 46.537,73 12.429,74 0.26,75 1.424,76 26.52,77 9.521,78 48.207,79 13.036,80 0.26,81 1.315,82 24.176,83 8.813,84 45.728,85 12.203,86 0.282,87 1.305,88 23.247,89 8.185,90 46.228,91 11.276,92 0.257,93 1.257,94 23.965,95 8.012,96 51.352,97 11.051,98 0.231,99 1.099,100 19.571,101 6.726,102 40.374,103 9.175,104 5,105 43,106 0.246,107 0.604,108 0.789,109 0.881,110 0.894,111 0.894,112 3.407,113 0.875,114 -2.47,115 -2.5,116 -2.45,119 46,121 1,127 1,135 2,142 7,143 4,144 1,145 4,151 1,152 1,158 1,163 1,164 1,165 1,172 12,175 3,178 1,180 5,183 12,185 1,188 4,190 1,191 2,192 1,193 6,195 1,196 9,198 1,200 4,205 4,208 6,210 1,212 1,213 4,217 1,218 4,220 1,221 4,223 2,225 6,227 1,228 2,229 1,230 5,233 2,235 3,238 5,243 6,246 3,248 2,249 1,250 3,255 3,258 4,260 1,264 3,267 2,269 2,272 6,274 1,276 1428,277 19.93,278 19.93,279 19.93,280 19.93,281 19.93,282 17.063,283 11.193,284 12.047,285 20.163,286 15.832,287 15.832,288 15.832,289 15.832,290 15.832,291 11.553,292 13.185,293 5.774,294 16.18,295 4.158,296 1.994,297 0.873,298 0.32,299 0.24,300 0.24,301 4.107,305 1,306 1,307 836,308 3.606,311 70.587,312 294.138,315 131.622,319 2.143,320 22.026,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 61.5,332 381,333 4.529,334 3.726,335 6.538,336 4.068,337 3.081,338 4.474,339 1.953,340 10.314,341 3.041,342 4.141,343 3.131,344 5.938,345 3.781,346 2.799,347 3.737,348 0.263,349 8.334,350 2.744,351 3.949,352 2.726,353 5.572,354 3.603,355 2.608,356 3.486,358 7.546,359 2.592,360 3.837,361 2.508,362 5.335,363 3.465,364 2.475,365 3.092,367 6.945,368 2.449,369 3.424,370 2.293,371 5.121,372 3.048,373 2.068,374 2.753,376 6.082,377 2.024,378 3.316,379 2.09,380 4.93,381 2.893,382 1.902,383 2.588,385 5.602,386 1.881,387 3.046,388 1.778,389 4.206,390 2.518,391 1.546,392 2.318,394 3.778,395 1.501,396 2.963,397 1.546,398 3.805,399 2.435,400 1.495,401 2.142,403 3.165,404 1.402,405 2.705,406 1.498,407 3.636,408 2.252,409 1.276,410 1.785,412 3.003,413 1.243,414 2.656,415 1.236,416 3.565,417 2.133,418 1.18,419 1.718,421 2.679,422 1.118,423 2.5,424 1.187,425 3.481,426 1.984,427 1,428 1.5,430 2.437,431 0.983,432 2.379,433 1,434 3.247,435 1.984,436 1,437 1.287,439 2.136,440 0.976,441 2.305,442 0.701,443 3.113,444 1.588,445 0.604,446 0.981,448 1.411,449 0.594,450 2.02,451 0.609,452 3.074,453 1.545,454 0.584,455 0.818,457 1.351,458 0.56,459 1.182,460 0.448,461 2.721,462 0.778,463 -0.202,464 -0.258,466 -0.519,467 -0.196,468 13.833,469 0.477,470 0.571,471 0.02,472 42,473 1.448,474 23.5,475 0.81,476 18.5,477 0.638,478 19.618,479 0.676,480 29.367,481 0.587,482 30.808,483 1.062,484 8.555,485 0.295,486 5.631,487 0.194,488 0.053,490 0.289,496 0.884,497 1.12,498 0.787,499 0.896,500 0.747,501 0.831,502 0.788,503 1.153,504 0.926,505 1.048,506 0.706,507 1.007,508 0.938,509 1.043,510 1.067,511 1.107,512 0.995,513 1.108,514 1.297,515 1.01,516 1.096,517 1.016,518 1.326,519 1.032,520 1.033,521 1.033,522 0.953,523 1.015,524 1.151,525 0.985,526 1.125,527 1.034,528 0.997,529 1.029,530 1.259,531 1.002,532 1.453,533 1.011,534 1.004,535 0.902,536 1.476,537 0.899,538 1.388,539 1.011,540 1.123,541 0.984,542 1.406,543 1.014,544 5,545 0.111,546 2.667,547 1.479,548 1.151,549 0.747,550 0.522,551 0.307,552 0.222,553 0.165,554 12615,555 32567,556 2.132,557 42,559 10,560 1,561 4,562 4,564 2,567 1.715,568 2.047,569 3.673,570 1.595,571 1,572 1,577 74.303,578 1.486,579 3.65,580 4.771,581 5.324,582 5.404,583 5.404,584 3.095,585 4.513,586 4.83,587 3.848,588 1562.45,589 8.388,590 22287.3,592 1,594 1,595 282.193,596 1.178,597 4.812,598 0.156,599 0.005,600 0.062,601 0.036,602 0.033,603 0.021,604 0.015,605 0.01,606 0.008,607 0.006,608 0.352,609 0.17,610 1,611 0.434,612 150.56,613 -0.107,614 0.007,615 0.022,616 0.063,617 -0.108,618 0.063,619 0.011,620 -0.076,621 -0.075,622 -0.079,623 -0.029,624 -0.085,625 0.042,626 -0.04,627 -0.128,628 -0.129,629 0.013,630 -0.149,631 -0.16,632 -0.051,633 -0.09,634 -0.037,635 -0.113,636 -0.051,637 0.074,638 -0.073,639 0.053,640 -0.034,641 0.064,642 -0.001,643 0.085,644 -0.038,645 0.008,646 -0.074,647 0.043,648 -0.047,649 -0.156,650 -0.041,651 0.035,652 0.058,653 -0.067,654 0.069,655 -0.163,656 -0.005,657 -0.12,658 -0.035,659 -0.162,660 -0.066,661 1.995,662 5.566,663 0.724,664 31.042,665 0.998,666 1.12,667 1.245,668 1.549,669 0.691,670 3.497,671 3.784,672 4.025,673 4.248,674 4.419,675 4.382,676 4.477,677 4.543,678 4.522,679 4.554,680 7.664,681 0.661,682 383.49,683 3.497,684 5.017,685 5.849,686 6.703,687 7.549,688 8.407,689 9.259,690 10.119,691 10.975,692 11.837,693 10,694 1,700 1,701 1,703 2,708 2,709 12,710 2,711 1,714 4,716 22,735 50,737 24,738 1,739 32,741 53,742 23,743 18,744 2,745 4,746 2,748 4,749 5,760 2,762 21,763 2,767 2,772 1,774 2,776 1,780 1,783 21,784 5,785 4,786 6,792 5,797 0.75,798 1,809 2,811 1,815 1,816 3,819 1,829 1,834 2,836 1,843 3,851 29,852 1,858 1,860 1,863 1,874 2,877 1,881 14.167,882 8.65,883 6.417,884 2.774,886 4.559,887 1.606,888 1.02,889 5.686,890 12.087,891 3.829,892 4.422,893 5.011,894 5.581,895 6.07,896 6.231,897 6.611,898 6.941,899 7.018,900 7.28,901 0.889,902 41,903 10.678,905 4.521,906 7.724,907 20.302,909 16.511,911 2.224,912 64.5,916 200.109,917 154.793,918 101.265,920 25.145,923 154.793,924 225.254,925 101.265,927 53.442,928 94.334,929 110.505,930 67.862,931 13.915,932 141.253,934 200.109,935 256.058,936 25.145,939 176.567,940 48.687,943 106.418,944 97.116,945 52.524,947 200.109,948 126.409,949 154.793,952 200.109,953 24.27,954 130.523,955 34.796,956 91.613,957 200.109,958 126.409,959 154.793,961 0.572,962 0.33,963 0.176,964 0.094,965 20,966 8,967 0.113,968 6,969 1,970 1.095,971 4.266,972 243.122,973 0.095,974 21,975 136.881,981 18.913,982 8.718,983 4.707,984 2.119,985 109.624,986 22.395,987 8.201,988 3.208,991 3.552,993 67.693,994 481.311,995 45,1000 12.566,1002 3.9,1004 -0.243,1007 49.905,1008 56.023,1009 0.263,1010 0.647,1011 0.845,1012 0.943,1013 0.957,1014 0.957,1015 5.027,1016 1.495,1017 5.802,1018 3.778,1019 4.466,1020 5.109,1021 2.027,1022 6.553,1023 4.427,1024 6.223,1025 1.276,1026 7.319,1027 3.165,1028 3.892,1029 4.732,1030 1.593,1031 7.31,1032 3.865,1033 7.507,1034 1.18,1035 8.935,1036 3.003,1037 5.999,1038 7.303,1039 3.019,1040 10.396,1041 5.931,1042 8.829,1043 1,1044 10.611,1045 2.679,1046 6.275,1047 7.818,1048 3.114,1049 12.025,1050 6.218,1051 10.183,1052 1,1053 12.327,1054 2.437,1055 7.807,1056 9.798,1057 4.198,1058 14.599,1059 7.716,1060 11.562,1061 0.604,1062 14.072,1063 2.136,1064 8.491,1065 10.774,1066 4.555,1067 16.607,1068 8.404,1069 12.961,1070 0.584,1071 15.836,1072 1.411,1073 9.773,1074 12.484,1075 5.456,1076 19.007,1077 9.658,1078 3.081,1079 -0.202,1080 17.617,1081 1.351,1082 10.663,1083 13.708,1084 5.952,1085 21.187,1086 10.545,1087 2.799,1088 10.314,1089 19.411,1090 -0.519,1091 11.833,1092 15.291,1093 6.751,1094 23.531,1095 11.694,1096 2.608,1097 8.334,1098 21.216,1099 4.474,1100 12.827,1101 16.647,1102 7.324,1103 25.79,1104 12.68,1105 2.475,1106 7.546,1107 23.029,1108 3.737,1109 13.951,1110 18.173,1111 8.066,1112 28.118,1113 13.786,1114 2.068,1115 6.945,1116 24.85,1117 3.486,1118 14.998,1119 19.597,1120 8.682,1121 30.414,1122 14.822,1123 1.902,1124 6.082,1125 26.678,1126 3.092,1127 16.105,1128 21.1,1129 9.392,1130 32.739,1131 15.914,1132 1.546,1133 5.602,1134 28.512,1135 2.753,1136 17.18,1137 22.558,1138 10.031,1139 35.052,1140 16.976,1141 11757,1142 19011,1143 21.959,1144 34.574,1145 48.165,1146 48.302,1147 47.939,1148 47.206,1149 47.235,1150 65.359,1151 4.432,1152 129.566,1153 46.215,1154 5.43,1155 5.726,1156 6.34,1157 5.109,1158 5.081,1159 7.474,1160 3.416,1161 17.104,1162 5.041,1163 9.575,1164 1.505,1165 1.509,1166 1.498,1167 1.475,1168 1.476,1169 2.042,1170 0.139,1171 4.049,1172 1.444,1173 4.13,1174 4.165,1175 4.084,1176 4.047,1177 7.429,1178 4.052,1179 3.956,1180 3.992,1181 3.904,1182 3.87,1183 5.02,1184 3.873,1185 3.827,1186 3.87,1187 3.771,1188 3.712,1189 4.939,1190 3.721,1191 3.644,1192 3.693,1193 3.56,1194 3.488,1195 4.933,1196 3.496,1197 3.39,1198 3.447,1199 3.294,1200 3.237,1201 4.865,1202 3.247,1203 3.27,1204 3.333,1205 3.168,1206 3.126,1207 4.303,1208 3.129,1209 3.045,1210 3.119,1211 2.933,1212 2.84,1213 4.255,1214 2.848,1215 2.909,1216 3,1217 2.77,1218 2.735,1219 3.984,1220 2.715,1221 0.142,1222 0.116,1223 0.204,1224 0.127,1225 0.096,1226 4.529,1227 0.14,1228 3.726,1229 0.061,1230 6.538,1231 0.322,1232 4.068,1233 0.095,1234 3.081,1235 4.474,1236 1.953,1237 10.314,1238 3.041,1239 1.943,1240 1.919,1241 2.04,1242 2.036,1243 1.229,1244 2.035,1245 1.917,1246 1.886,1247 2.016,1248 2.014,1249 1.082,1250 2.019,1251 1.794,1252 1.756,1253 1.903,1254 1.94,1255 1.023,1256 1.933,1257 1.673,1258 1.625,1259 1.835,1260 1.853,1261 0.924,1262 1.851,1263 1.383,1264 1.33,1265 1.546,1266 1.627,1267 0.574,1268 1.609,1269 1.249,1270 1.191,1271 1.448,1272 1.434,1273 0.469,1274 1.443,1275 1.037,1276 0.981,1277 1.242,1278 1.269,1279 0.299,1280 1.262,1281 0.886,1282 0.821,1283 1.181,1284 1.182,1285 0.218,1286 1.178,1287 4.174,1289 5.468,1290 2.398,1291 6.95,1292 4.727,1293 8.512,1294 6.823,1295 10.114,1301 6.154,1303 0.449,1305 2.86,1308 -0.662,1314 33.036,1315 74.303,1316 182.483,1317 238.541,1318 266.193,1319 270.193,1320 270.193,1321 45.467,1322 7.528,1323 96.69,1324 96.69,1325 23,1326 12.387,1327 4.644,1328 3.807,1329 44.955,1330 134,1331 129,1332 0.159,1333 204.66,1334 345.53,1335 491.13,1336 22393,1338 20.054,1339 0.692,1340 0.543,1341 20.054,1342 15.747,1343 14.187,1344 0.443,1345 0.292,1346 9.24,1347 13.806,1348 9.049,1349 7.532,1350 14.187,1351 9.335,1352 12.452,1353 0.29,1354 0.158,1355 12.452,1356 6.78,1357 10.432,1358 0.19,1359 0.085,1360 10.432,1361 4.653,1362 8.444,1363 0.122,1364 0.046,1365 8.444,1366 3.149,1367 6.706,1368 0.082,1369 0.025,1370 6.706,1371 2.057,1372 0.257,1373 87.848,1374 0.213,1375 28.205,1376 0.415,1377 150,1378 403.004,1379 159.791,1380 403.653,1381 555.58,1382 378,1383 173,1384 409.721,1385 183.097,1386 421.773,1387 606.25,1388 397,1389 5.2}
{0 CHEMBL1983963,1 1.606,2 11.852,3 2.904,4 8.435,5 103.173,6 8.169,7 0.733,8 3.913,9 4.029,10 3.555,11 3.462,12 5.137,13 3.472,14 4.368,15 4.51,16 3.914,17 3.838,18 5.607,19 3.824,20 4.559,21 4.728,22 3.915,23 3.931,24 5.709,25 3.896,26 4.643,27 4.849,28 3.884,29 3.881,30 5.825,31 3.832,32 4.601,33 4.814,34 3.704,35 3.75,36 5.778,37 3.704,38 4.431,39 4.658,40 3.574,41 3.605,42 5.588,43 3.558,44 4.272,45 4.485,46 3.384,47 3.525,48 5.387,49 3.452,50 4.194,51 4.423,52 3.332,53 3.459,54 5.227,55 3.367,56 0.077,57 0.681,58 7.505,59 3.433,60 9.965,61 4.06,62 0.31,63 1.036,64 13.276,65 5.897,66 25.32,67 7.339,68 0.213,69 1.216,70 17.043,71 6.987,72 26.912,73 8.701,74 0.337,75 1.245,76 21.067,77 8.003,78 37.333,79 10.593,80 0.421,81 1.148,82 21.511,83 7.083,84 51.215,85 8.744,86 0.326,87 0.985,88 18.497,89 6.08,90 43.405,91 7.899,92 0.313,93 0.861,94 14.799,95 5.145,96 38.337,97 6.601,98 0.195,99 0.776,100 14.135,101 5.817,102 20.773,103 7.895,104 10,105 42,106 0.273,107 0.627,108 0.76,109 0.845,110 0.863,111 0.871,112 3.339,113 0.833,114 -4.51,115 -4.43,116 -4.18,119 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 2,175 4,177 1,178 3,179 1,180 5,183 13,185 1,188 3,193 5,196 9,198 1,199 1,200 8,202 2,203 2,205 8,208 3,210 1,213 10,218 7,223 2,225 7,230 6,233 4,235 2,238 1,241 1,243 1,246 8,250 1,253 2,254 1,255 1,257 1,258 10,263 1,267 1,272 8,276 1035,277 18.309,278 18.309,279 18.309,280 18.309,281 18.309,282 15.515,283 17.311,284 10.791,285 18.56,286 14.831,287 14.831,288 14.831,289 14.831,290 14.831,291 10.69,292 24.218,293 5.145,294 15.222,295 3.853,296 1.772,297 0.989,298 0.489,299 0.381,300 0.335,301 4.038,304 1,305 1,306 1,307 703,308 3,311 62.79,312 262.4,315 118.128,319 1.953,320 23.471,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 58.5,332 320,333 4.666,334 3.563,335 6.884,336 4.216,337 3.229,338 4.626,339 1.656,340 11.489,341 3.187,342 4.1,343 3.244,344 5.857,345 3.718,346 2.745,347 3.686,348 0.247,349 8.081,350 2.668,351 4.033,352 2.744,353 5.617,354 3.608,355 2.625,356 3.648,358 7.758,359 2.579,360 3.733,361 2.649,362 5.391,363 3.368,364 2.391,365 3.078,367 7.082,368 2.329,369 3.468,370 2.327,371 5.034,372 3.076,373 2.095,374 2.81,376 5.716,377 2.049,378 3.416,379 2.136,380 4.901,381 2.936,382 1.99,383 2.741,385 5.674,386 1.88,387 3.165,388 2.058,389 4.542,390 2.74,391 1.743,392 2.381,394 4.688,395 1.73,396 2.977,397 1.539,398 4.38,399 2.448,400 1.493,401 2.182,403 4.009,404 1.422,405 2.658,406 1.24,407 3.81,408 2.179,409 1.182,410 1.729,412 2.689,413 1.178,414 2.553,415 1.088,416 3.479,417 2.03,418 1.064,419 1.577,421 2.585,422 1.025,423 2.5,424 1,425 3.414,426 2,427 1,428 1.5,430 2.275,431 1,432 2.187,433 0.807,434 3.313,435 1.714,436 0.744,437 1.053,439 1.81,440 0.72,441 1.322,442 0.624,443 2.949,444 1.02,445 0.072,446 0.085,448 0.194,449 0.068,450 1.182,451 0.275,452 2.508,453 0.765,454 -0.233,455 -0.304,457 -0.562,458 -0.228,459 1.042,460 -0.131,461 2.365,462 0.593,463 -0.335,464 -0.442,466 -0.77,467 -0.312,468 12.667,469 0.469,470 0.661,471 0.024,472 41,473 1.519,474 23,475 0.852,476 18,477 0.667,478 16.875,479 0.625,480 27.533,481 0.626,482 29.69,483 1.1,484 8.298,485 0.307,486 4.799,487 0.178,488 0.097,490 0.355,496 0.911,497 1.168,498 0.731,499 0.918,500 0.771,501 0.801,502 0.587,503 0.906,504 0.742,505 0.916,506 0.516,507 0.876,508 1.004,509 1.23,510 1.027,511 1.152,512 1.004,513 1.1,514 0.826,515 1.135,516 0.902,517 1.131,518 0.757,519 1.052,520 1.599,521 1.019,522 1.196,523 0.983,524 1.604,525 1.013,526 1.317,527 0.988,528 1.007,529 0.874,530 1.439,531 0.88,532 1.174,533 0.896,534 1.218,535 0.936,536 1.564,537 1.051,538 0.508,539 0.847,540 0.819,541 1.055,542 0.576,543 1.02,544 5.5,545 0.091,546 2.667,547 2.063,548 1.468,549 0.722,550 0.406,551 0.305,552 0.193,553 0.208,554 10041,555 28348,556 2.12,557 38.6,558 3,559 8,560 1,561 1,562 4,567 1.694,568 2,569 3.514,570 1.698,571 1,572 1,577 70.68,578 1.606,579 3.687,580 4.471,581 4.971,582 5.079,583 5.124,584 2.94,585 4.607,586 4.728,587 3.718,588 1304.95,589 8.171,590 17354.7,592 1,594 1,595 240.215,596 1.352,597 4.694,598 0.183,599 0.005,600 0.063,601 0.05,602 0.039,603 0.023,604 0.015,605 0.013,606 0.009,607 0.01,608 0.411,609 0.17,610 1,611 0.528,612 136.072,613 -0.128,614 -0.04,615 0.021,616 0.031,617 -0.148,618 0.057,619 0.282,620 0.165,621 0.083,622 0.052,623 0.156,624 0.025,625 -0.141,626 -0.196,627 -0.154,628 -0.185,629 -0.143,630 -0.172,631 0.124,632 -0.174,633 0.076,634 -0.147,635 0.155,636 -0.065,637 -0.293,638 -0.063,639 -0.159,640 -0.025,641 -0.181,642 -0.058,643 -0.19,644 -0.031,645 0.033,646 0.092,647 -0.108,648 0.104,649 -0.183,650 0.102,651 -0.242,652 0.025,653 -0.319,654 -0.089,655 0.211,656 0.053,657 0.177,658 -0.014,659 0.142,660 0.049,661 1.972,662 5.156,663 0.778,664 26.123,665 1.011,666 1.123,667 3.278,668 10.745,669 0.693,670 3.434,671 3.761,672 4.025,673 4.317,674 4.489,675 4.522,676 4.605,677 4.762,678 4.762,679 4.828,680 7.122,681 0.675,682 359.42,683 3.434,684 4.977,685 5.826,686 6.708,687 7.572,688 8.459,689 9.33,690 10.22,691 11.096,692 11.989,693 11.4,697 1,700 2,703 2,708 2,709 10,710 2,712 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 1,779 1,780 1,782 1,783 17,784 7,785 4,786 7,792 5,797 0.75,798 2,810 1,815 1,816 3,819 1,843 3,847 1,851 27,852 1,860 2,874 4.5,877 1,879 1,881 13.5,882 8.15,883 5.861,884 2.4,886 4.106,887 1.541,888 1.033,889 4.587,890 11.695,891 3.761,892 4.41,893 5.02,894 5.664,895 6.181,896 6.463,897 6.868,898 7.339,899 7.561,900 7.903,901 0.875,902 41,903 9.898,905 4.215,906 7.815,907 18.582,909 15.02,911 2.315,912 62.5,915 1,916 153.024,917 133.648,918 102.49,920 34.652,923 133.648,924 187.677,925 102.49,926 8.825,927 36.022,928 120.447,929 74.894,930 35.769,931 18.375,932 129.482,934 153.024,935 236.137,936 34.652,939 153.024,940 34.652,943 57.873,944 144.694,945 33.571,947 153.024,948 137.142,949 133.648,952 153.024,953 28.654,954 104.993,955 36.022,956 101.121,957 153.024,958 137.142,959 133.648,961 0.583,962 0.336,963 0.189,964 0.098,965 21,966 9,967 0.064,968 3,969 1,970 1.095,971 3.994,972 227.926,973 0.095,974 21,975 122.382,981 17.218,982 7.193,983 3.673,984 1.118,985 137.142,986 17.939,987 8.078,989 5.444,991 4.542,993 68.919,994 423.814,995 42,1000 12.156,1004 -0.306,1007 44.465,1008 49.402,1009 0.294,1010 0.675,1011 0.819,1012 0.91,1013 0.93,1014 0.939,1015 4.98,1016 1.493,1017 5.808,1018 4.688,1019 4.443,1020 5.097,1021 1.758,1022 6.611,1023 4.395,1024 6.205,1025 1.182,1026 7.357,1027 4.009,1028 4.007,1029 4.902,1030 1.195,1031 7.489,1032 3.949,1033 7.517,1034 1.064,1035 9.004,1036 2.689,1037 6.023,1038 7.352,1039 2.415,1040 10.607,1041 5.935,1042 8.865,1043 1,1044 10.712,1045 2.585,1046 6.399,1047 7.999,1048 2.324,1049 12.381,1050 6.304,1051 10.244,1052 0.744,1053 12.461,1054 2.275,1055 7.888,1056 9.914,1057 3.244,1058 15.029,1059 7.769,1060 11.647,1061 0.072,1062 14.241,1063 1.81,1064 8.658,1065 10.992,1066 3.407,1067 17.197,1068 8.533,1069 13.07,1070 -0.233,1071 16.046,1072 0.194,1073 9.932,1074 12.675,1075 4.156,1076 19.697,1077 9.788,1078 3.229,1079 -0.335,1080 17.872,1081 -0.562,1082 10.899,1083 13.979,1084 4.464,1085 22.031,1086 10.749,1087 2.745,1088 11.489,1089 19.715,1090 -0.77,1091 12.088,1092 15.563,1093 5.111,1094 24.486,1095 11.922,1096 2.625,1097 8.081,1098 21.572,1099 4.626,1100 13.153,1101 16.981,1102 5.504,1103 26.885,1104 12.978,1105 2.391,1106 7.758,1107 23.442,1108 3.686,1109 14.313,1110 18.526,1111 6.091,1112 29.329,1113 14.126,1114 2.095,1115 7.082,1116 25.321,1117 3.648,1118 15.425,1119 20,1120 6.531,1121 31.753,1122 15.229,1123 1.99,1124 5.716,1125 27.209,1126 3.078,1127 16.579,1128 21.531,1129 7.083,1130 34.194,1131 16.371,1132 1.743,1133 5.674,1134 29.104,1135 2.81,1136 17.716,1137 23.033,1138 7.551,1139 36.628,1140 17.497,1141 9415,1142 15989,1143 20.285,1144 30.506,1145 45.308,1146 45.843,1147 46.346,1148 44.715,1149 44.744,1150 62.193,1151 3.806,1152 128.101,1153 43.668,1154 5.533,1155 5.563,1156 6.441,1157 5.287,1158 5.229,1159 7.626,1160 2.912,1161 18.662,1162 5.187,1163 11.774,1164 1.51,1165 1.528,1166 1.545,1167 1.49,1168 1.491,1169 2.073,1170 0.127,1171 4.27,1172 1.456,1173 4.11,1174 4.127,1175 4.088,1176 3.998,1177 7.431,1178 4.015,1179 3.934,1180 3.968,1181 3.874,1182 3.856,1183 5.309,1184 3.854,1185 3.833,1186 3.868,1187 3.779,1188 3.722,1189 4.955,1190 3.736,1191 3.442,1192 3.492,1193 3.388,1194 3.181,1195 4.767,1196 3.225,1197 3.288,1198 3.342,1199 3.22,1200 3.06,1201 4.714,1202 3.083,1203 3.146,1204 3.226,1205 2.966,1206 2.962,1207 4.487,1208 2.962,1209 3.005,1210 3.108,1211 2.9,1212 2.735,1213 4.04,1214 2.759,1215 2.869,1216 2.943,1217 2.742,1218 2.73,1219 3.883,1220 2.715,1221 0.156,1222 0.119,1223 0.229,1224 0.141,1225 0.108,1226 4.666,1227 0.154,1228 3.563,1229 0.055,1230 6.884,1231 0.383,1232 4.216,1233 0.106,1234 3.229,1235 4.626,1236 1.656,1237 11.489,1238 3.187,1239 1.948,1240 1.925,1241 2.042,1242 2.044,1243 1.156,1244 2.041,1245 1.911,1246 1.882,1247 2.022,1248 2.003,1249 1.13,1250 2.009,1251 1.742,1252 1.707,1253 1.8,1254 1.93,1255 0.855,1256 1.898,1257 1.368,1258 1.34,1259 1.561,1260 1.639,1261 0.615,1262 1.597,1263 1.255,1264 1.205,1265 1.461,1266 1.51,1267 0.43,1268 1.489,1269 1.134,1270 1.072,1271 1.333,1272 1.383,1273 0.285,1274 1.4,1275 0.886,1276 0.821,1277 1.181,1278 1.231,1279 0.218,1280 1.225,1281 0.882,1282 0.82,1283 1.163,1284 1.094,1285 0.111,1286 1.107,1287 4.111,1289 5.434,1290 2.398,1291 6.946,1292 4.727,1293 8.547,1294 6.862,1295 10.193,1297 1.971,1301 5.942,1305 5.615,1314 29.697,1315 70.68,1316 162.241,1317 196.705,1318 218.705,1319 223.46,1320 225.46,1321 37.859,1322 7.589,1323 106.07,1324 106.07,1325 23,1326 12.519,1327 4.585,1328 3.7,1329 40.549,1330 119,1331 99,1332 0.169,1333 182.806,1334 305.06,1335 437.807,1336 22050,1338 18.803,1339 0.696,1340 0.539,1341 18.803,1342 14.562,1343 13.097,1344 0.437,1345 0.278,1346 8.208,1347 12.605,1348 8.009,1349 6.688,1350 13.097,1351 8.328,1352 11.982,1353 0.285,1354 0.146,1355 11.982,1356 6.114,1357 9.814,1358 0.178,1359 0.075,1360 9.814,1361 4.129,1362 8.669,1363 0.117,1364 0.039,1365 8.669,1366 2.86,1367 6.625,1368 0.075,1369 0.02,1370 6.625,1371 1.772,1372 0.272,1373 82.083,1374 0.222,1375 26.359,1376 0.444,1377 144,1378 434.739,1379 158.721,1380 426.052,1381 588.56,1382 398,1383 169,1384 444.282,1385 182.808,1386 452.284,1387 657.73,1388 424,1389 6}
{0 CHEMBL1984038,1 1.658,2 13.949,3 4.706,4 22.145,5 150.239,6 8.268,7 0.558,8 4.306,9 4.393,10 4.067,11 3.878,12 5.453,13 3.861,14 4.822,15 4.949,16 4.346,17 4.247,18 6.118,19 4.231,20 5.04,21 5.171,22 4.501,23 4.446,24 6.253,25 4.421,26 5.152,27 5.307,28 4.544,29 4.523,30 6.331,31 4.469,32 5.282,33 5.459,34 4.501,35 4.56,36 6.414,37 4.487,38 5.24,39 5.428,40 4.388,41 4.49,42 6.359,43 4.401,44 5.211,45 5.436,46 4.305,47 4.393,48 6.288,49 4.3,50 5.096,51 5.317,52 4.273,53 4.281,54 6.226,55 4.199,56 0.153,57 0.937,58 14.274,59 6.38,60 19.076,61 6.931,62 0.621,63 1.463,64 27.173,65 10.775,66 71.437,67 11.898,68 0.706,69 1.838,70 28.291,71 12.295,72 70.3,73 14.028,74 0.556,75 2.05,76 33.888,77 14.805,78 49.143,79 17.592,80 0.831,81 2.211,82 44.014,83 17.262,84 88.135,85 19.865,86 0.718,87 2.135,88 43.002,89 16.957,90 79.194,91 20.128,92 0.786,93 2.061,94 43.766,95 15.967,96 90.345,97 20.471,98 0.831,99 1.848,100 38.792,101 14.216,102 84.059,103 18.22,104 67,105 63,106 0.259,107 0.537,108 0.672,109 0.792,110 0.831,111 0.856,112 3.693,113 0.965,114 -3.25,115 -3.24,116 -3.1,119 43.9,124 4,142 12,143 5,144 7,158 1,172 15,174 1,175 3,178 3,180 7,183 18,187 2,188 5,192 1,193 10,196 15,199 1,200 12,203 1,205 10,208 12,213 14,218 6,221 12,225 13,229 1,230 6,233 12,238 6,241 2,243 2,246 11,250 4,253 6,254 1,255 3,258 11,263 2,264 3,267 1,269 3,272 11,276 2697,277 26.176,278 26.176,279 26.176,280 26.176,281 26.176,282 22.91,283 29.987,284 14.931,285 26.873,286 21.065,287 21.065,288 21.065,289 21.065,290 21.065,291 15.763,292 41.012,293 6.83,294 21.927,295 4.387,296 2.601,297 1.736,298 0.97,299 0.716,300 0.561,301 4.396,306 1,307 1169,308 4.062,312 421.218,313 92.695,317 309.72,319 2.468,320 46.562,323 0.75,324 0.67,325 0.83,326 0.5,328 0.83,329 1,330 0.65,331 85.5,332 544,333 4.661,334 4.312,335 6.632,336 4.173,337 3.204,338 4.453,339 1.058,340 10.694,341 3.125,342 4.508,343 3.624,344 6.56,345 4.105,346 3.141,347 4.208,348 0.86,349 10.418,350 3.027,351 4.449,352 3.377,353 6.509,354 4.04,355 3.078,356 4.136,357 0.86,358 10.248,359 2.952,360 4.283,361 3.052,362 6.307,363 3.866,364 2.896,365 3.908,366 0.86,367 9.618,368 2.781,369 4.129,370 2.987,371 6.191,372 3.729,373 2.745,374 3.721,375 0.4,376 9.172,377 2.683,378 3.786,379 2.697,380 5.924,381 3.429,382 2.452,383 3.186,385 8.274,386 2.386,387 3.557,388 2.555,389 5.287,390 3.166,391 2.179,392 2.894,394 6.518,395 2.142,396 3.355,397 2.533,398 5.19,399 2.972,400 2.061,401 2.604,403 6.118,404 1.867,405 3.255,406 2.064,407 5.03,408 2.889,409 1.916,410 2.459,412 5.742,413 1.859,414 2.916,415 1.99,416 4.479,417 2.461,418 1.492,419 2.093,421 4.306,422 1.444,423 2.881,424 1.671,425 4.231,426 2.418,427 1.431,428 2.04,430 3.714,431 1.41,432 2.777,433 1.518,434 4.013,435 2.328,436 1.341,437 1.884,439 3.334,440 1.321,441 2.713,442 1.474,443 3.875,444 2.231,445 1.231,446 1.791,448 2.972,449 1.229,450 2.517,451 1.34,452 3.697,453 2.009,454 1.072,455 1.486,457 2.63,458 1.005,459 2.157,460 1.112,461 3.599,462 1.914,463 1,464 1.139,466 2.21,467 0.894,468 18.533,469 0.475,470 1.144,471 0.029,472 56.5,473 1.449,474 31.5,475 0.808,476 25,477 0.641,478 32.444,479 0.832,480 41.467,481 0.628,482 51.705,483 1.326,484 11.332,485 0.291,486 7.368,487 0.189,488 0.162,489 0.045,490 0.351,496 0.717,497 1.218,498 0.779,499 1.154,500 0.669,501 0.896,502 0.975,503 0.99,504 0.973,505 0.929,506 0.605,507 0.783,508 1.008,509 1.046,510 0.847,511 0.867,512 1.11,513 0.935,514 0.788,515 1.164,516 0.897,517 1.079,518 0.674,519 1.074,520 1.175,521 0.991,522 1.054,523 0.973,524 0.986,525 1.022,526 1.003,527 1.102,528 1.081,529 1.105,530 0.91,531 1.13,532 0.832,533 0.972,534 0.843,535 0.908,536 0.945,537 0.953,538 0.719,539 0.934,540 0.783,541 0.871,542 0.896,543 0.902,544 9.5,545 0.38,546 4.889,547 3.125,548 3.278,549 1.826,550 1.156,551 0.861,552 0.571,553 0.524,554 23701,555 73197,556 2.058,557 40.9,559 24,562 3,567 1.794,568 1.895,569 3.735,570 0.773,577 109.402,578 1.658,579 3.443,580 4.309,581 5.074,582 5.328,583 5.483,584 3.219,585 4.631,586 5.255,587 3.956,588 2931.25,589 9.266,590 48814.2,595 398.93,596 1.623,597 5.196,598 0.221,599 0.009,600 0.078,601 0.043,602 0.046,603 0.027,604 0.019,605 0.016,606 0.011,607 0.011,608 0.48,609 0.33,610 0.63,611 1.053,612 217.545,613 0.005,614 -0.082,615 0.167,616 -0.067,617 -0.142,618 0.029,619 0.036,620 0.072,621 -0.009,622 0.096,623 0.192,624 0.146,625 -0.053,626 0.016,627 -0.08,628 0.029,629 -0.147,630 -0.038,631 0.01,632 -0.122,633 -0.048,634 -0.125,635 0.023,636 -0.123,637 -0.184,638 -0.008,639 -0.118,641 -0.094,642 -0.05,643 -0.11,644 -0.126,645 -0.137,646 -0.124,647 -0.051,648 -0.137,649 0.003,650 -0.014,651 0.083,652 0.029,653 -0.035,654 0.064,655 0.153,656 0.042,657 0.157,658 0.066,659 0.053,660 0.104,661 4.389,662 6.204,663 0.692,664 49.294,665 1.014,666 1.116,667 2.017,668 4.069,669 0.69,670 3.784,671 4.159,672 4.443,673 4.754,674 5.037,675 5.204,676 5.384,677 5.557,678 5.762,679 5.974,680 8.299,681 0.665,682 545.66,683 3.784,684 5.361,685 6.229,686 7.138,687 8.023,688 8.933,689 9.824,690 10.735,691 11.63,692 12.54,693 4.5,698 1,700 1,701 1,709 12,714 12,716 24,723 1,728 1,733 3,735 66,737 27,738 4,739 43,741 70,742 29,743 24,744 12,745 12,746 1,748 5,749 8,762 25,763 4,767 3,770 1,772 3,776 1,783 27,784 9,785 3,786 10,787 1,792 3,797 0.6,798 6,816 4,817 1,821 2,843 3,845 1,847 4,851 39,855 1,860 3,861 3,874 9.1,877 3,879 3,881 20.583,882 13.167,883 8.514,884 3.465,886 4.824,887 1.532,888 1.008,889 7.448,890 13.893,891 4.078,892 4.745,893 5.296,894 5.916,895 6.513,896 6.878,897 7.354,898 7.792,899 8.242,900 8.71,901 1,902 72,903 14.593,905 6.465,906 7.9,907 27.063,909 22.275,911 2.4,912 93.583,916 282.506,917 206.752,918 52.426,920 102.458,922 5.807,923 200.944,924 384.964,925 52.426,926 39.84,927 18.011,928 119.522,929 90.568,930 93.696,932 282.506,934 282.506,935 253.371,936 102.458,937 5.807,939 282.506,940 102.458,943 36.022,944 200.944,945 22.212,947 282.506,948 154.884,949 206.752,951 5.807,952 282.506,953 47.39,954 153.555,955 52.426,956 102.458,957 282.506,958 154.884,959 206.752,961 0.588,962 0.345,963 0.197,964 0.111,965 31,966 15,967 0.1,968 7,969 2,970 1.148,971 4.632,972 405.46,973 0.148,974 27,975 196.131,980 1,981 26.875,982 10.808,983 5.544,985 154.884,986 21.827,991 7.444,993 52.426,994 644.142,995 58,998 -3.472,1000 36.963,1004 -0.271,1007 66.949,1008 73.654,1009 0.274,1010 0.57,1011 0.713,1012 0.839,1013 0.881,1014 0.907,1015 5.342,1016 2.061,1017 6.26,1018 6.518,1019 4.844,1020 5.434,1021 2.079,1022 7.132,1023 4.774,1024 6.599,1025 1.916,1026 7.861,1027 6.118,1028 4.635,1029 5.509,1031 8.233,1032 4.523,1033 7.956,1034 1.492,1035 9.561,1036 5.742,1037 6.538,1038 7.745,1039 1.923,1040 11.266,1041 6.408,1042 9.349,1043 1.431,1044 11.316,1045 4.306,1046 7.091,1047 8.573,1049 13.098,1050 6.91,1051 10.77,1052 1.341,1053 13.105,1054 3.714,1055 8.511,1056 10.343,1057 1.832,1058 15.682,1059 8.316,1060 12.21,1061 1.231,1062 14.915,1063 3.334,1064 9.389,1065 11.494,1067 17.801,1068 9.146,1069 13.664,1070 1.072,1071 16.739,1072 2.972,1073 10.629,1074 13.085,1075 1.782,1076 20.23,1077 10.367,1078 3.204,1079 1,1080 18.573,1081 2.63,1082 11.65,1083 14.388,1085 22.469,1086 11.344,1087 3.141,1088 10.694,1089 20.414,1090 2.21,1091 12.822,1092 15.901,1093 1.767,1094 24.839,1095 12.492,1096 3.078,1097 10.418,1098 22.261,1099 4.453,1100 13.906,1101 17.279,1103 27.132,1104 13.538,1105 2.896,1106 10.248,1107 24.112,1108 4.208,1109 15.053,1110 18.759,1111 1.78,1112 29.481,1113 14.657,1114 2.745,1115 9.618,1116 25.967,1117 4.136,1118 16.166,1119 20.175,1121 31.799,1122 15.735,1123 2.452,1124 9.172,1125 27.825,1126 3.908,1127 17.306,1128 21.642,1129 1.816,1130 34.141,1131 16.845,1132 2.179,1133 8.274,1134 29.685,1135 3.721,1136 18.433,1137 23.078,1139 36.471,1140 17.939,1141 22637,1142 39950,1143 28.145,1144 45.529,1145 64.541,1146 68.079,1147 67.727,1148 64.481,1149 64.601,1150 86.454,1151 8.077,1152 195.754,1153 62.131,1154 5.499,1155 6.312,1156 6.313,1157 5.197,1158 5.204,1159 7.453,1160 2.117,1161 17.737,1162 5.125,1163 23.183,1164 1.501,1165 1.583,1166 1.575,1167 1.5,1168 1.502,1169 2.011,1170 0.188,1171 4.552,1172 1.445,1173 4.104,1174 4.122,1175 4.716,1176 4.042,1177 7.718,1178 4.031,1179 4.002,1180 4.006,1181 4.045,1182 3.948,1183 7.429,1184 3.926,1185 3.916,1186 3.912,1187 3.922,1188 3.865,1189 6.999,1190 3.799,1191 3.801,1192 3.796,1193 3.79,1194 3.724,1195 4.992,1196 3.689,1197 3.692,1198 3.709,1199 3.645,1200 3.628,1201 4.84,1202 3.614,1203 3.316,1204 3.355,1205 3.258,1206 3.12,1207 4.726,1208 3.147,1209 3.303,1210 3.353,1211 3.144,1212 3.006,1213 4.58,1214 3.026,1215 3.239,1216 3.3,1217 3.111,1218 3.006,1219 4.546,1220 3.023,1221 0.108,1222 0.1,1223 0.154,1224 0.097,1225 0.075,1226 4.661,1227 0.104,1228 4.312,1229 0.025,1230 6.632,1231 0.249,1232 4.173,1233 0.073,1234 3.204,1235 4.453,1236 1.058,1237 10.694,1238 3.125,1239 2.006,1240 1.99,1241 2.077,1242 2.08,1243 1.227,1244 2.09,1245 1.977,1246 1.963,1247 2.048,1248 2.059,1249 1.198,1250 2.057,1251 1.802,1252 1.797,1253 1.884,1254 1.914,1255 1.018,1256 1.94,1257 1.749,1258 1.734,1259 1.838,1260 1.889,1261 0.954,1262 1.873,1263 1.647,1264 1.668,1265 1.607,1266 1.768,1267 0.905,1268 1.82,1269 1.227,1270 1.188,1271 1.59,1272 1.558,1273 0.584,1274 1.565,1275 1.226,1276 1.163,1277 1.571,1278 1.517,1279 0.574,1280 1.533,1281 1.181,1282 1.128,1283 1.533,1284 1.476,1285 0.562,1286 1.487,1287 4.466,1289 5.826,1291 7.377,1292 2.708,1293 9.014,1294 5.38,1295 10.696,1297 5.774,1305 8.909,1306 16.409,1314 43.862,1315 109.402,1316 227.242,1317 284.362,1318 334.891,1319 351.646,1320 361.91,1321 83.546,1322 9.07,1323 122.51,1324 130.89,1325 31,1326 13.058,1327 4.807,1328 4,1329 61.558,1330 201,1331 176,1332 0.155,1333 269.416,1334 474.79,1335 649.136,1336 125642,1338 27.733,1339 0.711,1340 0.58,1341 27.983,1342 22.602,1343 18.7,1344 0.435,1345 0.322,1346 11.895,1347 17.141,1348 11.324,1349 9.458,1350 19.627,1351 13.836,1352 17.652,1353 0.28,1354 0.17,1355 19.035,1356 10.682,1357 14.33,1358 0.171,1359 0.082,1360 14.767,1361 6.923,1362 12.66,1363 0.11,1364 0.045,1365 13.18,1366 5.133,1367 10.698,1368 0.07,1369 0.024,1370 11.191,1371 3.698,1372 0.245,1373 127.591,1374 0.188,1375 34.963,1376 0.421,1377 212,1378 680.272,1379 263.185,1380 667.874,1381 906.82,1382 620,1383 253,1384 640.855,1385 311.926,1386 686.432,1387 994.89,1388 637,1389 5.2}
{0 CHEMBL1984039,1 1.464,2 12.647,3 5.869,4 34.44,5 133.815,6 7.436,7 0.684,8 4.21,9 4.32,10 3.78,11 3.79,12 5.325,13 3.766,14 4.73,15 4.89,16 4.161,17 4.19,18 5.845,19 4.151,20 4.945,21 5.124,22 4.251,23 4.34,24 5.985,25 4.283,26 5.067,27 5.246,28 4.244,29 4.403,30 6.09,31 4.326,32 5.144,33 5.354,34 4.181,35 4.399,36 6.13,37 4.293,38 5.209,39 5.457,40 4.109,41 4.334,42 6.186,43 4.219,44 5.074,45 5.319,46 3.93,47 4.197,48 6.066,49 4.067,50 4.894,51 5.126,52 3.951,53 4.08,54 5.963,55 3.985,56 0.06,57 0.845,58 12.259,59 5.716,60 10.083,61 7.221,62 0.221,63 1.38,64 22.696,65 9.485,66 38.15,67 12.488,68 0.322,69 1.686,70 29.164,71 11.643,72 34.27,73 15.399,74 0.256,75 1.872,76 33.062,77 13.229,78 32.486,79 17.221,80 0.317,81 1.98,82 37.33,83 14.916,84 48.616,85 19.896,86 0.449,87 2.044,88 42.613,89 15.406,90 67.957,91 21.096,92 0.587,93 1.73,94 37.698,95 13.952,96 75.702,97 18.897,98 0.4,99 1.488,100 30.352,101 11.496,102 48.251,103 15.746,104 27,105 55,106 0.232,107 0.593,108 0.745,109 0.836,110 0.878,111 0.888,112 3.561,113 0.903,114 -4.98,115 -4.89,116 -4.58,119 45.9,120 2,121 2,124 1,125 1,142 10,143 6,144 1,146 1,152 3,158 1,166 1,167 1,170 1,172 17,175 7,178 1,180 3,181 1,183 21,184 1,188 9,191 1,192 1,193 5,196 19,197 2,200 8,205 4,208 16,209 3,213 9,216 2,218 5,221 15,222 3,225 8,226 1,228 1,230 3,233 14,237 1,238 4,239 2,241 1,246 11,247 2,249 2,250 6,253 2,255 4,258 11,259 2,264 2,269 5,272 11,273 3,276 2160,277 23.035,278 23.035,279 23.035,280 23.035,281 23.035,282 19.737,283 17.489,284 13.401,285 23.321,286 18.733,287 18.733,288 18.733,289 18.733,290 18.733,291 13.763,292 18.462,293 6.277,294 19.194,295 4.467,296 2.193,297 1.237,298 0.66,299 0.398,300 0.332,301 4.266,306 1,307 948,308 3.606,311 155.418,312 268.577,315 136.125,316 151.518,319 1.844,320 28.188,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 72.5,332 430,333 4.771,334 3.648,335 7.052,336 4.345,337 3.361,338 4.721,339 1.437,340 12.114,341 3.305,342 4.494,343 3.361,344 6.741,345 4.09,346 3.113,347 4.43,348 0.86,349 10.909,350 3.042,351 4.492,352 3.166,353 6.505,354 4.013,355 3.03,356 4.229,358 10.194,359 2.98,360 3.93,361 3.079,362 6.055,363 3.527,364 2.543,365 3.407,367 8.431,368 2.491,369 3.539,370 2.507,371 5.547,372 3.155,373 2.174,374 2.908,376 6.775,377 2.126,378 3.512,379 2.416,380 5.204,381 3.084,382 2.129,383 2.868,385 6.251,386 2.02,387 3.21,388 2.158,389 5.177,390 2.85,391 1.886,392 2.429,394 5.612,395 1.814,396 3.118,397 1.815,398 4.716,399 2.627,400 1.649,401 2.427,403 4.631,404 1.618,405 2.997,406 1.707,407 4.319,408 2.618,409 1.618,410 2.216,412 3.832,413 1.609,414 2.919,415 1.618,416 4.177,417 2.476,418 1.494,419 2.024,421 3.595,422 1.462,423 2.773,424 1.596,425 4.076,426 2.363,427 1.397,428 1.906,430 3.431,431 1.344,432 2.667,433 1.371,434 3.672,435 2.268,436 1.269,437 1.707,439 2.966,440 1.267,441 2.56,442 1.277,443 3.58,444 2.139,445 1.159,446 1.543,448 2.762,449 1.126,450 2.349,451 1.21,452 3.478,453 1.906,454 0.93,455 1.273,457 2.201,458 0.9,459 2.176,460 0.927,461 3.292,462 1.762,463 0.791,464 1.064,466 1.93,467 0.763,468 16.2,469 0.476,470 0.892,471 0.026,472 45.25,473 1.331,474 24,475 0.706,476 21.25,477 0.625,478 31.009,479 0.912,480 35.4,481 0.58,482 36.234,483 1.066,484 9.03,485 0.266,486 7.422,487 0.218,488 0.134,490 0.395,496 0.79,497 1.077,498 0.788,499 0.978,500 0.744,501 0.899,502 0.767,503 1.068,504 0.764,505 0.902,506 0.436,507 0.84,508 0.932,509 0.969,510 0.925,511 0.921,512 0.681,513 0.916,514 1.156,515 1.168,516 1.159,517 1.171,518 0.923,519 1.161,520 0.971,521 1.14,522 1.102,523 1.179,524 0.967,525 1.166,526 1.088,527 0.99,528 1.02,529 1.006,530 1.146,531 1,532 1.043,533 0.938,534 1.035,535 0.982,536 1.237,537 1.008,538 0.804,539 0.974,540 0.873,541 1.01,542 0.884,543 0.964,544 5.5,545 0.209,546 4.444,547 3.556,548 2.069,549 1.105,550 0.886,551 0.583,552 0.417,553 0.272,554 17390,555 42755,556 2.109,557 44.3,558 2,559 15,562 2,563 6,564 2,567 1.76,568 1.962,569 3.57,570 0.118,577 89.277,578 1.464,579 3.737,580 4.693,581 5.271,582 5.533,583 5.599,584 2.992,585 4.852,586 5.061,587 3.794,588 2128.52,589 8.876,590 32520.9,595 361.775,596 1.449,597 5.014,598 0.145,599 0.006,600 0.081,601 0.06,602 0.037,603 0.022,604 0.019,605 0.015,606 0.01,607 0.007,608 0.402,609 0.17,610 0.88,611 0.706,612 182.065,614 0.032,615 0.048,616 0.03,617 -0.083,618 0.039,619 0.095,620 -0.002,621 0.136,622 0.091,623 0.206,624 0.115,625 -0.001,626 0.091,627 0.002,628 0.059,629 0.014,630 0.037,631 -0.146,632 -0.13,633 -0.223,634 -0.192,635 -0.096,636 -0.211,637 -0.037,638 -0.15,639 -0.14,640 -0.191,641 -0.069,642 -0.185,643 -0.031,644 -0.023,645 0.002,646 -0.037,647 -0.035,648 -0.014,649 0.086,650 -0.013,651 -0.004,652 0.005,653 -0.008,654 -0.009,655 0.226,656 -0.01,657 0.131,658 -0.028,659 0.205,660 0.025,661 2.619,662 5.099,663 0.706,664 35.498,665 0.998,666 1.116,667 3.753,668 14.086,669 0.681,670 3.664,671 4.025,672 4.369,673 4.691,674 4.905,675 4.984,676 5.13,677 5.278,678 5.333,679 5.357,680 7.558,681 0.648,682 453.58,683 3.664,684 5.231,685 6.116,686 7.024,687 7.928,688 8.842,689 9.753,690 10.67,691 11.584,692 12.503,693 4.9,701 2,703 1,708 4,709 10,710 1,711 1,714 7,715 1,716 26,725 1,733 1,735 61,737 27,738 3,739 38,741 65,742 28,743 21,744 6,745 10,746 1,748 5,749 7,754 2,760 2,762 22,763 6,767 1,772 1,776 1,783 27,784 4,785 2,786 6,792 3,797 0.6,798 3,807 1,811 1,815 2,816 3,819 1,820 1,841 1,843 3,847 3,851 34,857 1,858 3,861 1,874 4.9,876 1,877 1,879 1,881 17.333,882 12.017,883 7.389,884 3.709,886 5.203,887 1.615,888 1.007,889 5.988,890 13.661,891 3.97,892 4.663,893 5.355,894 6.029,895 6.574,896 6.937,897 7.384,898 7.817,899 8.095,900 8.273,901 1,902 59,903 12.59,905 5.426,906 7.691,907 24.175,909 20.19,911 2.191,912 74.5,916 294.278,917 164.314,918 35.225,920 78.828,923 164.314,924 373.106,925 35.225,926 26.047,927 9.661,928 94.762,929 85.401,930 54.838,931 7.658,932 294.278,934 294.278,935 199.539,936 78.828,939 270.735,940 102.37,943 48.631,944 134.245,945 16.663,947 294.278,948 114.053,949 164.314,952 294.278,953 43.505,954 122.586,955 16.786,956 95.491,957 294.278,958 114.053,959 164.314,961 0.588,962 0.362,963 0.209,964 0.112,965 28,966 13,967 0.108,968 7,969 2,970 1.167,971 4.409,972 332.508,973 0.167,974 24,975 168.974,981 22.393,982 9.092,983 4.056,984 3.986,985 95.491,986 20.162,987 4.539,988 3.2,991 5.876,992 1.857,993 59.469,994 572.645,995 52,1000 12.099,1004 -0.952,1007 60.891,1008 68.106,1009 0.247,1010 0.63,1011 0.791,1012 0.889,1013 0.933,1014 0.944,1015 5.218,1016 1.649,1017 6.12,1018 5.612,1019 4.71,1020 5.352,1021 1.888,1022 7,1023 4.664,1024 6.464,1025 1.618,1026 7.723,1027 4.631,1028 4.369,1029 5.308,1031 8.046,1032 4.304,1033 7.805,1034 1.494,1035 9.431,1036 3.832,1037 6.361,1038 7.695,1039 2.362,1040 11.21,1041 6.278,1042 9.19,1043 1.397,1044 11.201,1045 3.595,1046 6.878,1047 8.52,1049 13.112,1050 6.776,1051 10.61,1052 1.269,1053 13.011,1054 3.431,1055 8.346,1056 10.375,1057 2.965,1058 15.796,1059 8.229,1060 12.056,1061 1.159,1062 14.848,1063 2.966,1064 9.244,1065 11.591,1067 18.029,1068 9.109,1069 13.523,1070 0.93,1071 16.705,1072 2.762,1073 10.52,1074 13.241,1075 3.635,1076 20.559,1077 10.369,1078 3.361,1079 0.791,1080 18.577,1081 2.201,1082 11.581,1083 14.629,1085 22.923,1086 11.412,1087 3.113,1088 12.114,1089 20.459,1090 1.93,1091 12.788,1092 16.198,1093 4.335,1094 25.404,1095 12.604,1096 3.03,1097 10.909,1098 22.35,1099 4.721,1100 13.918,1101 17.661,1103 27.825,1104 13.715,1105 2.543,1106 10.194,1107 24.248,1108 4.43,1109 15.104,1110 19.2,1111 5.05,1112 30.292,1113 14.885,1114 2.174,1115 8.431,1116 26.152,1117 4.229,1118 16.263,1119 20.697,1121 32.739,1122 16.027,1123 2.129,1124 6.775,1125 28.06,1126 3.407,1127 17.444,1128 22.226,1129 5.77,1130 35.206,1131 17.192,1132 1.886,1133 6.251,1134 29.972,1135 2.908,1136 18.617,1137 23.738,1139 37.666,1140 18.347,1141 16204,1142 25575,1143 25.372,1144 41.517,1145 58.383,1146 59.221,1147 60.489,1148 57.815,1149 57.807,1150 79.153,1151 4.593,1152 172.972,1153 56.41,1154 5.678,1155 5.648,1156 6.741,1157 5.404,1158 5.361,1159 7.721,1160 2.873,1161 19.898,1162 5.305,1163 17.415,1164 1.536,1165 1.558,1166 1.592,1167 1.521,1168 1.521,1169 2.083,1170 0.121,1171 4.552,1172 1.484,1173 4.184,1174 4.213,1175 4.154,1176 4.104,1177 7.475,1178 4.112,1179 4.073,1180 4.091,1181 4.03,1182 4.028,1183 6.351,1184 4.026,1185 3.922,1186 3.978,1187 3.882,1188 3.763,1189 4.998,1190 3.784,1191 3.598,1192 3.65,1193 3.482,1194 3.463,1195 4.941,1196 3.459,1197 3.486,1198 3.516,1199 3.41,1200 3.379,1201 4.816,1202 3.373,1203 3.428,1204 3.47,1205 3.309,1206 3.26,1207 4.507,1208 3.272,1209 3.231,1210 3.327,1211 3.038,1212 3.044,1213 4.256,1214 3.024,1215 3.118,1216 3.213,1217 3.008,1218 2.961,1219 4.22,1220 2.962,1221 0.126,1222 0.096,1223 0.186,1224 0.114,1225 0.088,1226 4.771,1227 0.124,1228 3.648,1229 0.038,1230 7.052,1231 0.319,1232 4.345,1233 0.087,1234 3.361,1235 4.721,1236 1.437,1237 12.114,1238 3.305,1239 2.064,1240 2.048,1241 2.146,1242 2.125,1243 1.303,1244 2.132,1245 1.975,1246 1.957,1247 2.053,1248 2.04,1249 1.269,1250 2.044,1251 1.727,1252 1.692,1253 1.902,1254 1.886,1255 1.161,1256 1.888,1257 1.579,1258 1.519,1259 1.793,1260 1.84,1261 0.92,1262 1.823,1263 1.497,1264 1.453,1265 1.724,1266 1.683,1267 0.795,1268 1.692,1269 1.481,1270 1.417,1271 1.659,1272 1.669,1273 0.722,1274 1.662,1275 1.407,1276 1.363,1277 1.571,1278 1.574,1279 0.68,1280 1.596,1281 1.099,1282 1.042,1283 1.528,1284 1.378,1285 0.584,1286 1.437,1287 4.344,1289 5.694,1290 3.045,1291 7.242,1292 5.533,1293 8.885,1294 7.719,1295 10.58,1297 5.93,1302 9.915,1303 1.798,1306 6.089,1314 39.53,1315 89.277,1316 227.978,1317 286.291,1318 321.51,1319 337.51,1320 341.51,1321 57.502,1322 8.458,1323 80.14,1324 80.14,1325 28,1326 13.013,1327 4.807,1328 3.907,1329 50.056,1330 152,1331 150,1332 0.156,1333 239.632,1334 404.35,1335 576.462,1336 65750,1338 23.819,1339 0.701,1340 0.575,1341 23.819,1342 19.553,1343 16.452,1344 0.433,1345 0.301,1346 11.311,1347 15.945,1348 10.94,1349 9.091,1350 16.452,1351 11.434,1352 15.04,1353 0.273,1354 0.157,1355 15.04,1356 8.611,1357 13.161,1358 0.169,1359 0.083,1360 13.161,1361 6.512,1362 11.58,1363 0.107,1364 0.045,1365 11.58,1366 4.84,1367 9.347,1368 0.07,1369 0.024,1370 9.347,1371 3.266,1372 0.246,1373 102.253,1374 0.199,1375 31.395,1376 0.423,1377 186,1378 501.244,1379 200.16,1380 489.514,1381 685.53,1382 460,1383 226,1384 522.189,1385 240.525,1386 530.476,1387 782.43,1388 501,1389 5.1}
{0 CHEMBL1984044,1 1.514,2 11.846,3 3.093,4 9.565,5 102.141,6 7.05,7 0.571,8 3.995,9 4.127,10 3.508,11 3.499,12 5.085,13 3.476,14 4.519,15 4.709,16 3.839,17 3.856,18 5.591,19 3.814,20 4.733,21 4.953,22 3.882,23 3.97,24 5.738,25 3.907,26 4.776,27 4.996,28 3.831,29 3.987,30 5.819,31 3.892,32 4.861,33 5.143,34 3.664,35 3.906,36 5.789,37 3.774,38 4.634,39 4.904,40 3.5,41 3.754,42 5.523,43 3.632,44 4.371,45 4.572,46 3.494,47 3.696,48 5.383,49 3.596,50 4.476,51 4.714,52 3.33,53 3.644,54 5.479,55 3.506,56 0.034,57 0.738,58 10.974,59 4.352,60 8.837,61 6.057,62 0.216,63 1.137,64 20.072,65 7.021,66 29.204,67 10.052,68 0.329,69 1.315,70 25.917,71 8.426,72 34.692,73 12.232,74 0.271,75 1.368,76 26.696,77 9.204,78 43.026,79 13.368,80 0.4,81 1.321,82 30.982,83 9.971,84 51.316,85 14.835,86 0.422,87 1.052,88 24.669,89 8.228,90 40.722,91 11.91,92 0.077,93 0.928,94 17.122,95 6.961,96 18.397,97 9.729,98 0.145,99 0.963,100 19.897,101 7.169,102 34.437,103 10.387,104 30,105 38,106 0.255,107 0.594,108 0.731,109 0.802,110 0.812,111 0.812,112 3.303,113 0.949,114 -3.85,115 -3.81,116 -3.62,119 40,120 2,125 4,142 7,143 2,144 1,146 1,152 1,158 1,161 1,163 1,164 1,165 1,172 7,175 7,177 1,178 2,180 3,183 6,185 1,187 1,188 7,193 5,196 3,198 1,199 1,200 5,202 1,203 1,205 4,208 3,210 1,213 5,216 1,217 1,218 1,220 1,221 6,223 1,224 1,225 3,228 1,230 1,233 8,235 1,238 3,243 2,246 8,248 2,250 4,255 2,258 4,260 2,263 1,264 2,267 1,272 2,276 1046,277 17.74,278 17.74,279 17.74,280 17.74,281 17.74,282 15.805,283 14.545,284 10.448,285 18.149,286 13.681,287 13.681,288 13.681,289 13.681,290 13.681,291 10.702,292 16.245,293 4.768,294 14.275,295 4.13,296 2.122,297 1.309,298 0.885,299 0.83,300 0.83,301 3.986,304 1,305 1,306 1,307 648,308 3.742,311 58.981,312 165.116,315 115.791,319 2.101,320 22.322,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 56,332 308,333 4.622,334 3.546,335 6.694,336 4.152,337 3.18,338 4.567,339 0.98,340 10.842,341 3.095,342 4.151,343 3.049,344 6.119,345 3.762,346 2.778,347 3.756,348 0.86,349 8.935,350 2.731,351 3.822,352 2.9,353 5.543,354 3.424,355 2.488,356 3.265,357 0.8,358 7.108,359 2.346,360 3.585,361 2.75,362 5.325,363 3.339,364 2.4,365 2.93,367 6.754,368 2.235,369 3.432,370 2.514,371 5.253,372 3.171,373 2.198,374 2.44,376 6.595,377 2.117,378 3.028,379 1.814,380 4.375,381 2.518,382 1.55,383 2.279,385 4.08,386 1.499,387 2.884,388 1.649,389 4.287,390 2.355,391 1.367,392 1.965,394 3.679,395 1.339,396 2.67,397 1.477,398 3.744,399 2.221,400 1.268,401 1.743,403 2.946,404 1.198,405 2.5,406 1.161,407 3.425,408 2.023,409 1.073,410 1.5,412 2.437,413 1.013,414 2.229,415 1,416 3.414,417 2,418 1,419 1.211,421 2.275,422 1,423 1.939,424 0.744,425 3.151,426 1.591,427 0.618,428 0.64,430 1.138,431 0.6,432 1.618,433 0.588,434 2.739,435 1.386,436 0.433,437 0.618,439 0.791,440 0.411,441 1.326,442 0.484,443 2.618,444 1.137,445 0.211,446 0.226,448 0.39,449 0.194,450 0.969,451 0.1,452 2.438,453 0.676,454 -0.288,455 -0.328,457 -0.514,458 -0.275,459 0.842,460 -0.097,461 2.314,462 0.437,463 -0.552,464 -0.714,466 -1.316,467 -0.54,468 12.267,469 0.472,470 0.554,471 0.021,472 32.75,473 1.26,474 16,475 0.615,476 16.75,477 0.644,478 20.625,479 0.793,480 28.533,481 0.571,482 23.824,483 0.916,484 6.585,485 0.253,486 6.032,487 0.232,488 0.141,490 0.318,496 0.877,497 1.365,498 0.856,499 1.131,500 0.762,501 1.003,502 0.972,503 1.126,504 0.87,505 0.984,506 0.521,507 0.919,508 1.236,509 1.008,510 0.962,511 0.889,512 0.89,513 0.884,514 0.965,515 1.224,516 1.071,517 1.202,518 0.854,519 1.159,520 0.966,521 0.848,522 0.884,523 0.874,524 0.82,525 0.87,526 1.084,527 0.637,528 0.878,529 0.685,530 0.872,531 0.753,532 0.73,533 1.211,534 0.988,535 1.261,536 0.636,537 1.183,538 0.907,539 1.22,540 1.15,541 1.298,542 1.13,543 1.267,544 5,545 0.073,546 2.889,547 1.507,548 1.121,549 0.969,550 0.4,551 0.284,552 0.225,553 0.192,554 8367,555 20361,556 2.037,557 48,559 15,562 3,564 6,567 1.684,568 1.902,569 3.514,570 0.936,571 1,572 1,577 75.715,578 1.514,579 3.522,580 4.335,581 4.759,582 4.814,583 4.814,584 2.936,585 4.239,586 4.666,587 3.73,588 1212.32,589 8.055,590 15836.8,592 1,594 1,595 282.193,596 1.42,597 4.628,598 0.179,599 0.005,600 0.076,601 0.039,602 0.032,603 0.033,604 0.015,605 0.011,606 0.011,607 0.013,608 0.414,609 0.33,610 1,611 1.679,612 129.884,613 -0.06,614 -0.127,615 0.04,616 -0.037,617 -0.098,618 0.011,619 0.036,620 -0.005,621 0.084,622 0.034,623 0.164,624 0.06,625 -0.094,626 0.038,627 0.024,628 0.094,629 0.005,630 0.079,631 0.002,632 -0.182,633 -0.11,634 -0.204,635 0.053,636 -0.18,637 0.04,638 0.055,639 0.12,640 0.079,641 0.065,642 0.106,643 0.012,644 0.263,645 0.127,646 0.292,647 -0.018,648 0.233,649 -0.008,650 -0.174,651 -0.075,652 -0.181,653 0.051,654 -0.144,655 -0.069,656 -0.238,657 -0.2,658 -0.286,659 -0.092,660 -0.265,661 2.148,662 4.545,663 0.577,664 28.71,665 0.998,666 1.131,667 2.621,668 6.871,669 0.651,670 3.367,671 3.664,672 3.932,673 4.159,674 4.357,675 4.477,676 4.615,677 4.682,678 4.762,679 4.86,680 7.146,681 0.616,682 352.48,683 3.367,684 4.89,685 5.733,686 6.6,687 7.465,688 8.341,689 9.217,690 10.1,691 10.984,692 11.872,693 8,696 1,700 1,701 1,703 1,708 2,709 7,710 1,711 1,714 4,716 16,722 1,733 1,735 50,737 17,738 2,739 28,741 52,742 20,743 13,744 5,745 7,746 1,748 3,749 4,754 2,762 14,763 6,767 1,772 1,776 1,779 1,780 1,783 24,784 5,785 3,786 6,789 1,792 4,797 0.667,798 2,815 1,816 2,819 1,839 1,843 2,847 2,851 26,852 1,858 4,861 1,864 1,874 4,877 1,879 1,881 13.667,882 9.4,883 5.944,884 3.219,886 3.29,887 1.45,888 0.979,889 5.914,890 10.595,891 3.638,892 4.23,893 4.851,894 5.476,895 6.038,896 6.439,897 6.915,898 7.335,899 7.665,900 8.037,901 0.875,902 39,903 9.591,905 3.965,906 7.718,907 18.382,909 14.645,911 2.218,912 57.667,915 1,916 247.193,917 117.829,918 69.593,920 36.145,923 117.829,924 283.338,925 69.593,926 17.65,927 43.807,928 66.334,929 48.963,930 44.668,931 2.144,932 247.193,934 247.193,935 187.422,936 36.145,939 176.567,940 106.771,943 85.839,944 84.797,945 16.786,947 247.193,948 105.737,949 117.829,952 247.193,953 33.845,954 87.108,955 16.786,956 85.828,957 247.193,958 105.737,959 117.829,961 0.57,962 0.34,963 0.174,964 0.088,965 17,966 8,967 0.154,968 8,969 1,970 1.133,971 3.849,972 207.411,973 0.133,974 15,975 114.211,981 18.428,982 8.344,983 4.257,984 1.38,985 88.952,986 13.116,987 4.537,988 3.234,991 2.868,993 49.683,994 470.76,995 37,1000 11.545,1004 -0.481,1007 49.898,1008 56.564,1009 0.268,1010 0.624,1011 0.768,1012 0.843,1013 0.853,1014 0.853,1015 4.852,1016 1.268,1017 5.707,1018 3.679,1019 4.344,1020 4.916,1021 1.679,1022 6.503,1023 4.268,1024 6.052,1025 1.073,1026 7.259,1027 2.946,1028 3.892,1029 4.732,1030 0.325,1031 7.405,1032 3.791,1033 7.356,1034 1,1035 8.912,1036 2.437,1037 5.922,1038 7.152,1039 1.481,1040 10.481,1041 5.778,1042 8.701,1043 0.618,1044 10.624,1045 2.275,1046 6.312,1047 7.849,1048 0.268,1049 12.228,1050 6.147,1051 10.081,1052 0.433,1053 12.375,1054 1.138,1055 7.788,1056 9.73,1057 1.348,1058 14.826,1059 7.592,1060 11.486,1061 0.211,1062 14.153,1063 0.791,1064 8.564,1065 10.847,1066 0.188,1067 16.925,1068 8.348,1069 12.912,1070 -0.288,1071 15.95,1072 0.39,1073 9.822,1074 12.508,1075 1.243,1076 19.369,1077 9.581,1078 3.18,1079 -0.552,1080 17.764,1081 -0.514,1082 10.783,1083 13.831,1084 0.125,1085 21.621,1086 10.521,1087 2.778,1088 10.842,1089 19.589,1090 -1.316,1091 11.957,1092 15.4,1093 1.157,1094 24.015,1095 11.672,1096 2.488,1097 8.935,1098 21.425,1099 4.567,1100 13.01,1101 16.822,1102 0.082,1103 26.335,1104 12.702,1105 2.4,1106 7.108,1107 23.269,1108 3.756,1109 14.154,1110 18.354,1111 1.086,1112 28.713,1113 13.824,1114 2.198,1115 6.754,1116 25.12,1117 3.265,1118 15.252,1119 19.824,1120 0.054,1121 31.064,1122 14.898,1123 1.55,1124 6.595,1125 26.978,1126 2.93,1127 16.39,1128 21.343,1129 1.026,1130 33.44,1131 16.012,1132 1.367,1133 4.08,1134 28.841,1135 2.44,1136 17.511,1137 22.836,1138 0.035,1139 35.806,1140 17.108,1141 8291,1142 13161,1143 18.493,1144 32.546,1145 41.254,1146 42.043,1147 42.993,1148 41.09,1149 41.128,1150 54.279,1151 5.28,1152 115.939,1153 39.559,1154 5.518,1155 5.546,1156 6.312,1157 5.217,1158 5.18,1159 7.567,1160 1.96,1161 17.904,1162 5.095,1163 13.777,1164 1.473,1165 1.502,1166 1.535,1167 1.467,1168 1.469,1169 1.939,1170 0.189,1171 4.141,1172 1.413,1173 4.135,1174 4.171,1175 4.106,1176 4.023,1177 7.437,1178 4.039,1179 3.871,1180 3.897,1181 3.813,1182 3.797,1183 5.075,1184 3.796,1185 3.734,1186 3.808,1187 3.597,1188 3.536,1189 4.875,1190 3.539,1191 3.468,1192 3.517,1193 3.41,1194 3.249,1195 4.801,1196 3.279,1197 3.33,1198 3.407,1199 3.197,1200 3.123,1201 4.399,1202 3.12,1203 3.306,1204 3.397,1205 3.089,1206 3.116,1207 4.277,1208 3.089,1209 3.237,1210 3.303,1211 3.04,1212 3.048,1213 4.144,1214 3.058,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.892,1220 2.715,1221 0.165,1222 0.127,1223 0.239,1224 0.148,1225 0.114,1226 4.622,1227 0.163,1228 3.546,1229 0.035,1230 6.694,1231 0.387,1232 4.152,1233 0.111,1234 3.18,1235 4.567,1236 0.98,1237 10.842,1238 3.095,1239 1.931,1240 1.908,1241 2.014,1242 2.033,1243 1.207,1244 2.028,1245 1.9,1246 1.879,1247 1.996,1248 2.003,1249 1.128,1250 2.002,1251 1.698,1252 1.62,1253 1.945,1254 1.923,1255 1.085,1256 1.935,1257 1.386,1258 1.333,1259 1.725,1260 1.649,1261 0.886,1262 1.638,1263 1.351,1264 1.256,1265 1.655,1266 1.584,1267 0.869,1268 1.631,1269 1.298,1270 1.23,1271 1.471,1272 1.554,1273 0.47,1274 1.557,1275 1.118,1276 1.061,1277 1.315,1278 1.434,1279 0.238,1280 1.409,1281 0.948,1282 0.895,1283 1.181,1284 1.135,1285 0.218,1286 1.134,1287 4.043,1289 5.342,1290 2.398,1291 6.838,1292 4.727,1293 8.424,1294 6.862,1295 10.057,1297 4.296,1301 5.423,1303 3.623,1306 5.807,1309 2.319,1314 30.783,1315 75.715,1316 176.077,1317 216.767,1318 237.928,1319 240.683,1320 240.683,1321 43.429,1322 7.305,1323 84.24,1324 84.24,1325 17,1326 12.404,1327 4.17,1328 3.322,1329 44.738,1330 111,1331 110,1332 0.198,1333 192.188,1334 325.24,1335 460.698,1336 14409,1338 18.518,1339 0.712,1340 0.583,1341 18.518,1342 15.158,1343 12.618,1344 0.451,1345 0.316,1346 8.741,1347 12.131,1348 8.507,1349 7.09,1350 12.618,1351 8.861,1352 10.888,1353 0.287,1354 0.159,1355 10.888,1356 6.051,1357 9.242,1358 0.185,1359 0.09,1360 9.242,1361 4.477,1362 7.441,1363 0.118,1364 0.046,1365 7.441,1366 2.909,1367 5.658,1368 0.073,1369 0.022,1370 5.658,1371 1.684,1372 0.319,1373 78.909,1374 0.233,1375 25.595,1376 0.52,1377 132,1378 374.406,1379 145.029,1380 362.012,1381 499.08,1382 340,1383 154,1384 371.119,1385 166.893,1386 374.257,1387 549.01,1388 354,1389 5.1}
{0 CHEMBL1984162,1 1.562,2 16.333,3 5.189,4 26.922,5 150.581,6 7.329,7 0.591,8 4.391,9 4.514,10 3.954,11 3.887,12 5.459,13 3.881,14 4.953,15 5.128,16 4.334,17 4.293,18 5.965,19 4.268,20 5.171,21 5.372,22 4.393,23 4.427,24 6.14,25 4.377,26 5.28,27 5.516,28 4.379,29 4.458,30 6.22,31 4.386,32 5.256,33 5.496,34 4.288,35 4.429,36 6.171,37 4.348,38 5.208,39 5.442,40 4.244,41 4.408,42 6.126,43 4.32,44 5.18,45 5.42,46 4.163,47 4.386,48 6.081,49 4.277,50 5.185,51 5.454,52 4.063,53 4.322,54 6.036,55 4.184,56 0.068,57 1.109,58 15.427,59 6.361,60 13.73,61 8.49,62 0.465,63 1.762,64 30.229,65 10.889,66 37.251,67 14.783,68 0.519,69 2.122,70 38.653,71 12.843,72 47.064,73 18.295,74 0.609,75 2.295,76 44.77,77 14.28,78 59.703,79 20.87,80 0.612,81 2.228,82 43.794,83 13.214,84 58.349,85 19.761,86 0.585,87 2.112,88 41.517,89 13.482,90 55.849,91 19.602,92 0.482,93 2.06,94 40.028,95 13.616,96 50.897,97 19.971,98 0.537,99 1.971,100 41.566,101 14.509,102 55.091,103 21.493,104 21,105 63,106 0.241,107 0.598,108 0.775,109 0.826,110 0.847,111 0.847,112 3.693,113 0.91,114 -5.65,115 -5.52,116 -5.15,119 40.3,120 2,121 4,124 1,125 2,127 2,142 6,143 4,144 1,146 2,147 1,148 1,152 1,161 1,162 1,163 1,164 1,165 1,166 1,172 11,174 3,175 11,177 1,178 3,180 3,183 12,185 1,187 2,188 14,193 2,196 9,199 2,200 18,202 3,203 3,205 4,208 6,210 1,212 1,213 15,218 5,221 4,223 2,224 1,225 10,228 1,230 6,233 10,235 4,237 1,238 3,241 1,243 2,246 18,248 2,249 3,250 3,253 2,254 1,257 1,258 14,263 4,264 2,266 1,267 1,269 2,272 5,276 3374,277 26.764,278 26.764,279 26.764,280 26.764,281 26.764,282 23.727,283 31.057,284 15.787,285 27.464,286 21.74,287 21.74,288 21.74,289 21.74,290 21.74,291 17.077,292 36.87,293 7.523,294 22.798,295 4.608,296 2.288,297 1.136,298 0.809,299 0.67,300 0.67,301 4.409,307 1411,308 3.464,311 180.327,312 466.247,315 345.132,319 2.838,320 32.749,323 0.5,324 0.5,325 0.83,326 0.7,327 0.5,328 0.83,329 1,330 0.7,331 84.5,332 637,333 4.761,334 3.387,335 7.049,336 4.307,337 3.345,338 4.731,339 0.86,340 12.14,341 3.222,342 4.58,343 3.191,344 6.534,345 4.103,346 3.121,347 4.542,348 0.86,349 10.319,350 3.066,351 4.086,352 2.933,353 6.247,354 3.744,355 2.773,356 3.688,357 0.4,358 9.256,359 2.69,360 3.88,361 2.801,362 5.82,363 3.603,364 2.637,365 3.248,367 7.936,368 2.547,369 3.77,370 2.693,371 5.53,372 3.395,373 2.438,374 3.205,376 7.443,377 2.334,378 3.572,379 2.51,380 5.358,381 3.311,382 2.375,383 2.97,385 6.946,386 2.213,387 3.501,388 2.325,389 5.147,390 3.162,391 2.182,392 2.775,394 6.277,395 2.138,396 3.413,397 2.204,398 5.027,399 2.998,400 2.014,401 2.561,403 5.847,404 1.977,405 3.142,406 2.183,407 5.009,408 2.787,409 1.854,410 2.401,412 5.488,413 1.725,414 3.077,415 1.935,416 4.8,417 2.687,418 1.722,419 2.202,421 5.153,422 1.659,423 2.963,424 1.807,425 4.443,426 2.488,427 1.596,428 2.147,430 4.107,431 1.412,432 2.632,433 1.509,434 4.165,435 2.433,436 1.489,437 1.644,439 3.294,440 1.401,441 2.532,442 1.422,443 3.655,444 2.058,445 1.108,446 1.542,448 2.993,449 1.048,450 2.5,451 1.091,452 3.647,453 2,454 1,455 1.5,457 2.406,458 1,459 2.277,460 1,461 3.583,462 2,463 1,464 1.222,466 2.275,467 1,468 18.3,469 0.469,470 0.934,471 0.024,472 49.5,473 1.269,474 23,475 0.59,476 26.5,477 0.679,478 38.452,479 0.986,480 42.3,481 0.587,482 39.615,483 1.016,484 9.461,485 0.243,486 9.534,487 0.244,488 0.104,490 0.377,496 0.9,497 1.345,498 0.792,499 1.153,500 0.962,501 0.983,502 1.096,503 1.042,504 0.842,505 0.94,506 0.834,507 0.877,508 1.14,509 1.218,510 0.985,511 1.046,512 0.956,513 1.002,514 1.041,515 1.05,516 0.957,517 0.964,518 0.894,519 0.95,520 1.16,521 1.029,522 1.094,523 0.945,524 1.127,525 0.984,526 1.103,527 0.995,528 1.074,529 0.966,530 1.147,531 1.005,532 0.862,533 1.032,534 1.079,535 1.069,536 1.156,537 1.095,538 0.541,539 0.915,540 0.923,541 1.041,542 0.803,543 1.042,544 7.5,545 0.193,546 4,547 3.174,548 2.487,549 1.446,550 0.847,551 0.636,552 0.431,553 0.369,554 27510,555 66167,556 2.155,557 45.8,558 6,559 15,561 1,562 3,564 8,567 1.792,568 2.035,569 3.908,570 0.773,577 112.482,578 1.562,579 3.882,580 5.034,581 5.361,582 5.5,583 5.5,584 3.468,585 4.856,586 5.248,587 4.126,588 3057.13,589 9.247,590 53107.9,595 444.235,596 1.348,597 5.226,598 0.17,599 0.005,600 0.063,601 0.049,602 0.039,603 0.025,604 0.015,605 0.013,606 0.01,607 0.009,608 0.399,609 0.17,610 0.63,611 1.015,612 220.739,613 -0.013,614 -0.12,615 0.074,616 -0.065,617 -0.061,618 0.007,619 0.061,620 0.055,621 0.108,622 0.088,623 0.13,624 0.094,625 -0.052,626 -0.154,627 -0.021,628 -0.046,629 0.002,630 -0.034,631 -0.036,632 -0.027,633 0.027,634 0.006,635 0.086,636 0.018,637 -0.164,638 0.014,639 -0.109,640 0.009,641 -0.14,642 -0.028,643 -0.125,644 0.029,645 -0.099,646 0.017,647 -0.113,648 -0.028,649 -0.062,650 -0.01,651 -0.123,652 -0.071,653 -0.17,654 -0.099,655 0.154,656 0.036,657 0.047,658 -0.04,659 0.05,660 -0.02,661 1.239,662 2.465,663 0.769,664 55.682,665 1.003,666 1.132,667 4.421,668 19.541,669 0.657,670 3.807,671 4.159,672 4.477,673 4.812,674 5.075,675 5.236,676 5.407,677 5.595,678 5.72,679 5.861,680 9.125,681 0.627,682 527.69,683 3.807,684 5.371,685 6.244,686 7.146,687 8.04,688 8.951,689 9.856,690 10.772,691 11.682,692 12.601,693 9.7,697 1,701 2,703 4,708 4,709 7,710 4,712 1,714 7,715 1,716 26,727 1,728 1,735 72,737 26,738 2,739 44,741 77,742 29,743 18,744 6,745 6,748 6,749 8,754 2,757 6,760 6,762 18,763 11,783 33,784 9,785 3,786 10,792 7,797 0.667,798 3,802 1,807 1,810 1,815 2,816 4,819 2,842 2,843 4,847 3,851 39,852 1,858 6,860 1,861 2,863 2,874 4.2,878 2,879 1,881 19.167,882 13.833,883 8.472,884 4.401,886 5.137,887 1.558,888 1.007,889 7.323,890 14.347,891 4.06,892 4.718,893 5.38,894 6.062,895 6.628,896 7.047,897 7.504,898 7.984,899 8.28,900 8.678,901 1,902 65,903 14.414,905 6.174,906 7.577,907 27.975,909 23.435,911 2.077,912 81,916 353.133,917 146.59,918 119.704,920 31.507,923 146.59,924 384.64,925 119.704,926 28.533,927 19.323,928 89.755,929 102.506,930 62.292,931 7.164,932 341.362,934 353.133,935 266.294,936 31.507,939 258.964,940 103.676,941 22,943 76.587,944 122.688,945 67.02,947 353.133,948 151.211,949 146.59,952 353.133,953 52.581,954 95.786,955 18.011,956 131.424,957 353.133,958 151.211,959 146.59,961 0.582,962 0.342,963 0.194,964 0.109,965 32,966 14,967 0.104,968 8,969 2,970 1.133,971 4.967,972 398.04,973 0.133,974 30,975 196.131,981 25.902,982 11.026,983 5.279,984 3.18,985 149.435,986 13.614,987 18.47,989 5.965,991 5.683,992 2.031,993 50.908,994 650.935,995 57,1007 72.181,1008 81.514,1009 0.253,1010 0.629,1011 0.816,1012 0.869,1013 0.891,1014 0.891,1015 5.316,1016 2.014,1017 6.236,1018 6.277,1019 4.844,1020 5.407,1021 1.454,1022 7.083,1023 4.763,1024 6.535,1025 1.854,1026 7.811,1027 5.847,1028 4.443,1029 5.308,1031 8.028,1032 4.342,1033 7.859,1034 1.722,1035 9.485,1036 5.488,1037 6.466,1038 7.699,1039 1.175,1040 11.178,1041 6.322,1042 9.222,1043 1.596,1044 11.219,1045 5.153,1046 6.899,1047 8.477,1049 12.997,1050 6.734,1051 10.621,1052 1.489,1053 12.994,1054 4.107,1055 8.386,1056 10.343,1057 0.966,1058 15.673,1059 8.188,1060 12.047,1061 1.108,1062 14.797,1063 3.294,1064 9.213,1065 11.535,1067 17.868,1068 8.989,1069 13.494,1070 1,1071 16.624,1072 2.993,1073 10.494,1074 13.196,1075 0.788,1076 20.395,1077 10.239,1078 3.345,1079 1,1080 18.468,1081 2.406,1082 11.509,1083 14.581,1085 22.753,1086 11.225,1087 3.121,1088 12.14,1089 20.326,1090 2.275,1091 12.713,1092 16.162,1093 0.634,1094 25.237,1095 12.399,1096 2.773,1097 10.319,1098 22.197,1099 4.731,1100 13.817,1101 17.633,1103 27.664,1104 13.471,1105 2.637,1106 9.256,1107 24.078,1108 4.542,1109 14.998,1110 19.186,1111 0.504,1112 30.139,1113 14.621,1114 2.438,1115 7.936,1116 25.968,1117 3.688,1118 16.143,1119 20.694,1121 32.597,1122 15.732,1123 2.375,1124 7.443,1125 27.865,1126 3.248,1127 17.32,1128 22.237,1129 0.395,1130 35.075,1131 16.877,1132 2.182,1133 6.946,1134 29.769,1135 3.205,1136 18.486,1137 23.763,1139 37.549,1140 18.008,1141 25427,1142 39646,1143 29.937,1144 47.302,1145 66.725,1146 66.971,1147 68.569,1148 66.309,1149 66.322,1150 86.506,1151 4.24,1152 195.495,1153 63.472,1154 5.761,1155 5.387,1156 6.959,1157 5.383,1158 5.345,1159 7.731,1160 1.72,1161 19.667,1162 5.222,1163 17.965,1164 1.516,1165 1.522,1166 1.558,1167 1.507,1168 1.507,1169 1.966,1170 0.096,1171 4.443,1172 1.443,1173 4.159,1174 4.202,1175 4.134,1176 4.024,1177 5.262,1178 4.044,1179 4.082,1180 4.103,1181 4.059,1182 3.958,1183 5.208,1184 3.976,1185 3.866,1186 3.905,1187 3.79,1188 3.772,1189 4.88,1190 3.771,1191 3.8,1192 3.844,1193 3.704,1194 3.668,1195 4.703,1196 3.672,1197 3.555,1198 3.603,1199 3.411,1200 3.306,1201 4.702,1202 3.32,1203 3.469,1204 3.514,1205 3.395,1206 3.267,1207 4.5,1208 3.296,1209 3.318,1210 3.399,1211 3.234,1212 3.109,1213 4.453,1214 3.096,1215 3.255,1216 3.338,1217 3.075,1218 3.046,1219 4.41,1220 3.076,1221 0.108,1222 0.077,1223 0.16,1224 0.098,1225 0.076,1226 4.761,1227 0.108,1228 3.387,1229 0.02,1230 7.049,1231 0.276,1232 4.307,1233 0.073,1234 3.345,1235 4.731,1236 0.86,1237 12.14,1238 3.222,1239 1.944,1240 1.924,1241 2.08,1242 2.077,1243 1.477,1244 2.074,1245 1.939,1246 1.914,1247 2.044,1248 2.031,1249 1.193,1250 2.034,1251 1.892,1252 1.842,1253 2.019,1254 2.024,1255 1.138,1256 2.024,1257 1.736,1258 1.694,1259 1.812,1260 1.916,1261 0.993,1262 1.895,1263 1.49,1264 1.44,1265 1.76,1266 1.773,1267 0.901,1268 1.767,1269 1.368,1270 1.32,1271 1.641,1272 1.639,1273 0.825,1274 1.604,1275 1.296,1276 1.228,1277 1.527,1278 1.554,1279 0.739,1280 1.55,1281 1.205,1282 1.135,1283 1.513,1284 1.465,1285 0.721,1286 1.471,1287 4.489,1289 5.832,1290 3.045,1291 7.367,1292 5.476,1293 8.995,1294 7.662,1295 10.674,1297 5.776,1301 6.35,1303 5.114,1305 3.274,1306 11.061,1308 0.483,1314 45.143,1315 112.482,1316 279.522,1317 362.46,1318 385.97,1319 395.97,1320 395.97,1321 60.344,1322 9.21,1323 126.14,1324 126.14,1325 34,1326 13.112,1327 4.755,1328 3.807,1329 55.385,1330 208,1331 266,1332 0.126,1333 271.935,1334 455.93,1335 655.282,1336 158988,1338 26.932,1339 0.691,1340 0.576,1341 26.932,1342 22.477,1343 18.996,1344 0.432,1345 0.303,1346 13.122,1347 18.143,1348 12.773,1349 10.57,1350 18.996,1351 13.344,1352 17.321,1353 0.275,1354 0.162,1355 17.321,1356 10.196,1357 14.871,1358 0.171,1359 0.085,1360 14.871,1361 7.378,1362 13.187,1363 0.108,1364 0.045,1365 13.187,1366 5.472,1367 10.787,1368 0.068,1369 0.024,1370 10.787,1371 3.804,1372 0.202,1373 119.864,1374 0.183,1375 35.621,1376 0.332,1377 214,1378 599.077,1379 237.785,1380 573.091,1381 805.57,1382 542,1383 257,1384 616.909,1385 282.259,1386 621.802,1387 919.13,1388 584,1389 6.3}
{0 CHEMBL1984191,1 1.714,2 7.684,3 3.581,4 12.822,5 75.829,6 10.783,7 0.81,8 3.451,9 3.547,10 3.33,11 3.114,12 4.709,13 3.107,14 3.882,15 4.001,16 3.712,17 3.488,18 5.125,19 3.463,20 4.034,21 4.169,22 3.878,23 3.581,24 5.263,25 3.509,26 4.014,27 4.181,28 3.597,29 3.459,30 5.196,31 3.396,32 4.006,33 4.198,34 3.54,35 3.375,36 5.158,37 3.32,38 3.923,39 4.131,40 3.535,41 3.248,42 5.135,43 3.171,44 3.598,45 3.784,46 3.295,47 2.988,48 4.84,49 2.873,50 3.265,51 3.471,52 2.942,53 2.606,54 4.476,55 2.466,56 0.086,57 0.412,58 1.582,59 1.697,60 3.972,61 1.759,62 0.163,63 0.621,64 3.305,65 2.762,66 11.272,67 2.669,68 0.251,69 0.651,70 12.269,71 4.063,72 19.372,73 4.314,74 0.255,75 0.677,76 10.406,77 3.979,78 18.696,79 4.278,80 0.25,81 0.68,82 9.074,83 3.929,84 17.55,85 4.17,86 0.32,87 0.595,88 10.544,89 3.789,90 23.618,91 3.945,92 0.222,93 0.361,94 9.956,95 3.131,96 17.635,97 3.55,98 0.173,99 0.241,100 8.93,101 2.439,102 14.531,103 2.758,104 5,105 29,106 0.328,107 0.643,108 0.81,109 0.895,110 0.909,111 0.909,112 3.011,113 0.895,114 -4.5,115 -4.43,116 -4.17,119 48.1,142 4,143 2,144 2,145 2,146 1,148 1,152 1,168 1,172 3,174 1,175 4,180 2,183 6,188 1,193 2,196 8,199 1,200 5,203 1,205 2,208 4,213 3,218 1,221 3,224 1,225 3,228 1,230 1,233 2,238 4,246 1,250 2,258 1,264 1,276 417,277 12.983,278 12.983,279 12.983,280 12.983,281 12.983,282 10.907,283 2.167,284 7.727,285 13.417,286 10.36,287 10.36,288 10.36,289 10.36,290 10.36,291 7.393,292 0.907,293 3.654,294 11.176,295 3.041,296 1.394,297 0.519,298 0.074,301 3.689,302 2,305 1,306 1,307 314,308 1.732,311 49.023,312 110.157,319 1.175,320 14.753,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 40.667,332 146,333 4.502,334 3.33,335 6.697,336 4.118,337 3.14,338 4.208,340 10.86,341 3.071,342 4.15,343 3.08,344 5.97,345 3.67,346 2.763,347 3.781,349 8.374,350 2.516,351 3.752,352 2.444,353 5.652,354 3.29,355 2.363,356 3.254,358 7.314,359 2.096,360 3.288,361 2.144,362 4.694,363 2.784,364 1.838,365 2.618,367 4.863,368 1.698,369 2.877,370 1.873,371 4.05,372 2.348,373 1.414,374 2.045,376 3.528,377 1.314,378 2.82,379 1.421,380 3.863,381 2.305,382 1.414,383 1.948,385 3.144,386 1.198,387 2.5,388 1,389 3.485,390 1.942,391 1,392 1.5,394 2.241,395 0.939,396 2.358,397 0.972,398 3.336,399 1.832,400 0.893,401 1.294,403 2.136,404 0.823,405 2.265,406 0.778,407 3.247,408 1.735,409 0.775,410 1.151,412 1.942,413 0.741,414 1.362,415 0.608,416 2.599,417 0.842,418 0.087,419 0.106,421 0.19,422 0.053,423 0.803,424 -0.094,425 2.374,426 0.35,427 -0.562,428 -0.721,430 -1.362,431 -0.419,432 0.708,433 -0.609,434 2.252,435 0.208,436 -0.709,437 -0.953,439 -1.739,440 -0.608,441 0.5,442 -0.907,443 1.87,444 -0.074,445 -1,446 -1.429,448 -2.347,449 -0.9,450 0.234,451 -1,452 1.555,453 -0.219,454 -1.11,455 -1.5,457 -2.752,458 -0.924,459 -0.034,460 -1.128,461 1.499,462 -0.546,463 -1.414,464 -1.844,466 -3.473,467 -1.12,468 9.529,469 0.502,470 0.418,471 0.022,472 28.5,473 1.5,474 16,475 0.842,476 12.5,477 0.658,478 11.731,479 0.617,480 18.671,481 0.692,482 17.213,483 0.906,484 5.709,485 0.3,486 3.545,487 0.187,488 0.15,490 0.315,496 0.651,497 1.053,498 0.469,499 0.685,500 0.621,501 0.673,502 0.873,503 1.006,504 0.623,505 0.7,506 0.814,507 0.756,508 0.901,509 1.107,510 0.876,511 1.018,512 0.843,513 1.037,514 0.971,515 1.033,516 0.976,517 1.06,518 0.952,519 1.084,520 0.875,521 1.208,522 0.717,523 0.996,524 0.836,525 1.033,526 0.95,527 0.803,528 0.907,529 0.878,530 1.011,531 0.958,532 0.995,533 0.937,534 1.262,535 1.191,536 1.106,537 1.144,538 1.294,539 0.855,540 1.505,541 1.142,542 1.32,543 1.089,544 3,545 0.012,546 2.444,547 0.931,548 0.944,549 0.466,550 0.309,551 0.214,552 0.103,553 0.046,554 3140,555 12229,556 2.113,557 29.6,559 4,561 3,562 1,567 1.606,568 2,569 2.974,570 -0.198,574 1,577 46.276,578 1.714,579 3.36,580 4.236,581 4.681,582 4.755,583 4.755,584 2.439,585 3.787,586 4.221,587 3.04,588 519.772,589 7.203,590 4991.99,591 1,592 1,594 1,595 128.382,596 1.324,597 4.189,598 0.143,599 0.012,600 0.084,601 0.033,602 0.038,603 0.02,604 0.016,605 0.016,606 0.013,607 0.011,608 0.388,609 0.67,610 1,611 0.565,612 81.151,613 -0.012,614 0.009,615 -0.001,616 0.021,617 -0.065,618 0.019,619 -0.134,620 0.049,621 -0.03,622 0.069,623 -0.12,624 -0.004,625 -0.02,626 -0.18,627 0.046,628 -0.095,629 0.04,630 -0.125,631 -0.102,632 -0.048,633 -0.154,634 -0.141,635 -0.114,636 -0.15,637 -0.057,638 -0.203,639 0.01,640 -0.069,641 -0.046,642 -0.054,643 0.076,644 0.206,645 0.063,646 0.137,647 0.012,648 0.083,649 0.117,650 -0.087,651 0.022,652 -0.066,653 0.089,654 -0.007,655 -0.019,656 -0.041,657 0.016,658 0.091,659 0.07,660 0.15,661 1.164,662 1.926,663 0.895,664 11.213,665 1.026,666 1.116,667 3.273,668 10.711,669 0.779,670 3.091,671 3.401,672 3.689,673 3.932,674 4.111,675 4.127,676 4.19,677 4.22,678 4.159,679 4.007,680 4.602,681 0.753,682 291.15,683 3.091,684 4.615,685 5.468,686 6.34,687 7.213,688 8.092,689 8.972,690 9.854,691 10.737,692 11.621,693 14.8,701 1,703 3,709 7,710 3,711 1,714 6,716 17,734 2,735 27,737 17,738 1,739 21,741 29,742 13,743 13,744 3,745 3,748 3,749 3,750 2,762 13,780 1,783 8,784 3,785 1,786 6,787 2,792 4,797 1,807 1,810 1,815 1,816 2,843 3,848 2,851 19,873 2,881 9.5,882 4.969,883 4.194,884 1.473,886 3.228,887 1.494,888 1.022,889 3.299,890 9.762,891 3.418,892 4.047,893 4.667,894 5.262,895 5.752,896 6.015,897 6.407,898 6.773,899 7.059,900 7.233,901 1,902 28,903 6.909,905 2.904,906 7.801,907 12.948,909 10.386,911 2.301,912 43.722,913 0.001,916 82.398,917 83.504,918 66.897,919 78.297,923 83.504,924 160.695,925 66.897,928 37.905,929 85.547,930 59.506,931 2.757,932 47.084,933 78.297,934 82.398,935 150.401,937 78.297,939 82.398,943 46.133,944 54.034,945 128.531,947 82.398,948 66.897,949 161.802,952 82.398,953 18.886,954 64.618,955 16.663,956 128.531,957 82.398,958 66.897,959 161.802,961 0.579,962 0.346,963 0.185,964 0.099,965 15,966 6,967 0.069,968 2,970 1,971 3.148,972 142.053,974 17,975 80.711,981 12.302,982 5.095,983 2.382,985 50.234,986 12.166,987 12.186,988 2.955,991 4.458,993 16.663,994 311.096,995 29.5,1007 27.705,1008 30.127,1009 0.36,1010 0.707,1011 0.891,1012 0.984,1013 1,1014 1,1015 4.618,1016 0.893,1017 5.442,1018 2.241,1019 4.078,1020 4.732,1022 6.252,1023 3.941,1024 5.833,1025 0.775,1026 7,1027 2.136,1028 3.611,1029 4.407,1031 7.168,1032 3.353,1033 7.136,1034 0.087,1035 8.665,1036 1.942,1037 5.659,1038 6.946,1040 10.29,1041 5.437,1042 8.48,1043 -0.562,1044 10.393,1045 0.19,1046 6.066,1047 7.495,1049 12.072,1050 5.76,1051 9.858,1052 -0.709,1053 12.163,1054 -1.362,1055 7.553,1056 9.434,1058 14.699,1059 7.267,1060 11.26,1061 -1,1062 13.96,1063 -1.739,1064 8.35,1065 10.397,1067 16.821,1068 8.015,1069 12.681,1070 -1.11,1071 15.777,1072 -2.347,1073 9.615,1074 12.068,1076 19.285,1077 9.283,1078 3.14,1079 -1.414,1080 17.608,1081 -2.752,1082 10.59,1083 13.246,1085 21.552,1086 10.23,1087 2.763,1088 10.86,1089 19.45,1090 -3.473,1091 11.767,1092 14.788,1094 23.96,1095 11.401,1096 2.363,1097 8.374,1098 21.3,1099 4.208,1100 12.824,1101 16.079,1103 26.291,1104 12.44,1105 1.838,1106 7.314,1107 23.157,1108 3.781,1109 13.968,1110 17.558,1112 28.681,1113 13.574,1114 1.414,1115 4.863,1116 25.02,1117 3.254,1118 15.063,1119 18.91,1121 31.04,1122 14.655,1123 1.414,1124 3.528,1125 26.887,1126 2.618,1127 16.196,1128 20.36,1130 33.424,1131 15.776,1132 1,1133 3.144,1134 28.758,1135 2.045,1136 17.311,1137 21.745,1139 35.796,1140 16.877,1141 3074,1142 6168,1143 14.216,1144 21.023,1145 31.737,1146 32.328,1147 32.273,1148 31.592,1149 31.373,1150 43.81,1152 89.186,1153 28.897,1154 5.192,1155 5.33,1156 6.499,1157 5.189,1158 5.14,1159 7.208,1161 18.032,1162 5.071,1163 7.366,1164 1.511,1165 1.539,1166 1.537,1167 1.504,1168 1.494,1169 2.086,1171 4.247,1172 1.376,1173 4.044,1174 4.083,1175 4.137,1176 3.953,1177 5.114,1178 3.958,1179 3.817,1180 3.849,1181 3.912,1182 3.72,1183 5.01,1184 3.726,1185 3.623,1186 3.688,1187 3.62,1188 3.42,1189 4.887,1190 3.447,1191 2.881,1192 2.922,1193 3.4,1194 2.811,1195 4.49,1196 2.786,1197 2.843,1198 2.872,1199 3.182,1200 2.764,1201 4.196,1202 2.744,1203 2.785,1204 2.859,1205 2.656,1206 2.596,1207 3.928,1208 2.599,1209 2.681,1210 2.771,1211 2.601,1212 2.399,1213 3.74,1214 2.442,1215 2.356,1216 2.468,1217 2.493,1218 2.092,1219 3.482,1220 2.091,1221 0.214,1222 0.159,1223 0.319,1224 0.196,1225 0.15,1226 4.502,1227 0.2,1228 3.33,1230 6.697,1231 0.517,1232 4.118,1233 0.146,1234 3.14,1235 4.208,1237 10.86,1238 3.071,1239 1.919,1240 1.902,1241 1.97,1242 1.997,1243 1.124,1244 1.996,1245 1.76,1246 1.722,1247 1.845,1248 1.905,1249 0.876,1250 1.896,1251 1.303,1252 1.269,1253 1.408,1254 1.598,1255 0.491,1256 1.543,1257 1.223,1258 1.131,1259 1.363,1260 1.422,1261 0.251,1262 1.424,1263 0.868,1264 0.824,1265 1.088,1266 1.014,1267 0.157,1268 1.057,1269 0.764,1270 0.686,1271 1.051,1272 0.996,1273 0.019,1274 1.022,1275 0.656,1276 0.614,1277 0.77,1278 0.795,1280 0.823,1281 0.365,1282 0.28,1283 0.662,1284 0.651,1286 0.658,1287 3.761,1289 5.069,1290 2.398,1291 6.581,1292 4.595,1293 8.182,1294 6.605,1295 9.828,1298 11.958,1314 20.321,1315 46.276,1316 90.73,1317 114.382,1318 126.382,1319 128.382,1320 128.382,1321 22.111,1322 6.534,1323 54.46,1324 54.46,1325 17,1326 12.154,1327 4.17,1328 3.248,1329 27.686,1330 51,1331 49,1332 0.27,1333 133.714,1334 216.98,1335 318.023,1336 5157,1337 7.4,1338 13.242,1339 0.697,1340 0.587,1341 14.242,1342 11.151,1343 9.254,1344 0.441,1345 0.298,1346 5.501,1347 8.405,1348 5.332,1349 4.402,1350 9.831,1351 6.263,1352 8.184,1353 0.282,1354 0.162,1355 8.926,1356 4.697,1357 7.124,1358 0.183,1359 0.088,1360 8.039,1361 3.445,1362 5.728,1363 0.115,1364 0.042,1365 6.114,1366 2.1,1367 4.493,1368 0.075,1369 0.023,1370 4.882,1371 1.368,1372 0.407,1373 63.783,1374 0.265,1375 18.703,1376 0.792,1377 100,1378 317.675,1379 137.311,1380 374.444,1381 494.44,1382 348,1383 118,1384 321.402,1385 152.14,1386 347.547,1387 504.76,1388 326,1389 5.1}
{0 CHEMBL1984206,1 1.674,2 9.455,3 0.753,4 0.567,5 81.425,6 8.036,7 0.522,8 3.71,9 3.831,10 3.319,11 3.205,12 4.992,13 3.218,14 4.17,15 4.337,16 3.612,17 3.514,18 5.396,19 3.509,20 4.36,21 4.548,22 3.701,23 3.602,24 5.635,25 3.593,26 4.369,27 4.564,28 3.655,29 3.538,30 5.766,31 3.523,32 4.346,33 4.559,34 3.552,35 3.491,36 5.711,37 3.464,38 4.25,39 4.439,40 3.425,41 3.439,42 5.594,43 3.403,44 4.254,45 4.479,46 3.282,47 3.334,48 5.664,49 3.277,50 4.095,51 4.361,52 3.052,53 3.206,54 5.154,55 3.112,56 0.082,57 0.568,58 6.484,59 2.828,60 13.497,61 3.542,62 0.275,63 0.811,64 12.276,65 4.507,66 25.567,67 5.935,68 0.338,69 0.93,70 15.856,71 5.384,72 44.239,73 7.146,74 0.409,75 0.919,76 16.142,77 5.203,78 63.953,79 7,80 0.549,81 0.868,82 16.687,83 4.797,84 66.519,85 6.562,86 0.3,87 0.797,88 14.232,89 4.695,90 56.785,91 6.085,92 0.468,93 0.754,94 15.776,95 4.412,96 87.64,97 6.019,98 0.288,99 0.633,100 14.348,101 4.483,102 44.665,103 6.48,104 22,105 30,106 0.301,107 0.72,108 0.833,109 0.847,110 0.847,111 0.847,112 3.146,113 0.868,114 -1.78,115 -1.84,116 -1.86,119 40.5,120 1,125 2,142 3,143 2,144 1,145 2,146 1,147 1,158 2,163 1,164 1,165 1,172 2,174 1,175 7,178 1,180 3,183 2,185 2,187 1,188 2,191 1,193 3,199 2,200 4,202 3,203 3,208 1,212 1,213 4,215 1,216 3,217 1,218 1,220 1,221 1,225 3,230 1,233 3,235 1,237 2,238 2,241 1,243 2,246 1,248 1,249 1,250 3,255 2,258 2,260 2,264 1,272 1,276 672,277 14.93,278 14.93,279 14.93,280 14.93,281 14.93,282 13.219,283 16.608,284 9.073,285 15.326,286 11.242,287 11.242,288 11.242,289 11.242,290 11.242,291 8.541,292 17.782,293 4.126,294 11.773,295 3.536,296 1.21,297 0.581,298 0.507,299 0.507,300 0.507,301 3.807,305 1,306 1,307 425,308 3.24,312 161.799,319 1.504,320 27.839,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 48.5,332 208,333 4.473,334 4.087,335 6.504,336 4.043,337 3.078,338 4.167,339 2.035,340 10.156,341 2.971,342 3.982,343 3.569,344 5.954,345 3.623,346 2.635,347 3.453,348 1.081,349 8.288,350 2.595,351 3.869,352 3.074,353 5.337,354 3.459,355 2.466,356 3.296,357 0.86,358 6.951,359 2.446,360 3.34,361 2.722,362 5.062,363 2.922,364 2.01,365 2.558,366 0.473,367 5.777,368 1.824,369 3.281,370 2.375,371 4.301,372 2.534,373 1.589,374 2.15,376 3.984,377 1.497,378 2.941,379 1.878,380 3.666,381 2.342,382 1.38,383 1.978,385 3.075,386 1.318,387 2.747,388 1.645,389 3.546,390 2.081,391 1.172,392 1.5,394 2.329,395 1.055,396 2.5,397 1.538,398 3.247,399 1.984,400 1,401 1.436,403 2.136,404 0.983,405 2.181,406 1.059,407 3.049,408 1.701,409 0.77,410 1.029,412 1.36,413 0.713,414 1.761,415 1,416 2.824,417 1.394,418 0.408,419 0.525,421 0.855,422 0.397,423 1.344,424 0.832,425 2.601,426 0.707,427 -0.22,428 -0.298,430 -0.332,431 -0.202,432 1,433 -0.02,434 2.313,435 0.618,436 -0.312,437 -0.436,439 -0.671,440 -0.289,441 0.79,442 -0.104,443 1.948,444 0.391,445 -0.597,446 -0.75,448 -1.323,449 -0.585,450 0.5,451 -0.51,452 1.645,453 0.161,454 -0.805,455 -1.045,457 -1.723,458 -0.768,459 0.45,460 -0.716,461 1.555,462 -0.049,463 -1,464 -1.471,466 -2.347,467 -0.946,468 10.167,469 0.462,470 0.435,471 0.02,472 31.75,473 1.443,474 17.5,475 0.795,476 14.25,477 0.648,478 13.652,479 0.621,480 23.433,481 0.633,482 22.741,483 1.034,484 6.417,485 0.292,486 4.234,487 0.192,488 0.161,490 0.295,496 0.876,497 1.315,498 0.753,499 1.076,500 0.659,501 0.909,502 0.911,503 1.118,504 0.81,505 0.976,506 0.579,507 0.892,508 1.101,509 1.155,510 0.874,511 1.03,512 0.848,513 0.934,514 1.044,515 1.125,516 0.986,517 1.132,518 1.084,519 1.068,520 1.098,521 0.787,522 1.079,523 0.85,524 1.147,525 0.93,526 1.405,527 1.213,528 1.22,529 1.206,530 1.692,531 1.185,532 1.373,533 0.85,534 1.271,535 0.926,536 1.55,537 1.053,538 0.879,539 0.755,540 0.902,541 0.821,542 0.911,543 0.861,544 4,545 0.058,546 2.444,547 1.313,548 1.316,549 0.896,550 0.305,551 0.184,552 0.18,553 0.1,554 4667,555 15396,556 1.969,557 40.5,559 7,561 2,562 3,564 3,567 1.645,568 1.833,569 3.23,570 1.114,572 1,574 1,577 61.933,578 1.674,579 3.999,580 4.628,581 4.703,582 4.703,583 4.703,584 2.704,585 3.971,586 4.429,587 3.384,588 781.793,589 7.612,590 8753.24,592 1,595 192.75,596 1.435,597 4.382,598 0.174,599 0.005,600 0.081,601 0.041,602 0.045,603 0.034,604 0.013,605 0.01,606 0.011,607 0.007,608 0.423,609 0.5,610 1,611 1.167,612 101.832,613 -0.122,614 -0.129,615 0.01,616 -0.039,617 -0.07,618 0.012,619 0.035,620 -0.054,621 0.071,622 0.034,623 0.032,624 0.055,625 -0.046,626 -0.15,627 0.064,628 -0.042,629 0.001,630 0.017,631 0.069,632 -0.113,633 -0.029,634 -0.186,635 0.064,636 -0.145,637 0.08,638 0.217,639 -0.088,640 0.07,641 0.005,642 -0.016,643 -0.279,644 -0.222,645 -0.275,646 -0.232,647 -0.248,648 -0.249,649 -0.155,650 0.105,651 -0.252,652 -0.005,653 -0.082,654 -0.125,655 -0.027,656 0.118,657 0.137,658 0.176,659 -0.05,660 0.189,661 2.061,662 5.143,663 0.545,664 18.777,665 1.016,666 1.135,667 0.548,668 0.3,669 0.669,670 3.178,671 3.434,672 3.664,673 3.85,674 4.007,675 3.97,676 3.912,677 3.784,678 3.761,679 3.784,680 5.727,681 0.653,682 297.35,683 3.178,684 4.673,685 5.493,686 6.34,687 7.182,688 8.037,689 8.886,690 9.745,691 10.597,692 11.459,693 13.5,697 1,700 1,702 1,703 2,709 5,710 2,714 5,716 12,718 1,723 1,727 1,733 1,735 37,737 14,739 23,741 38,742 15,743 10,746 1,748 2,749 2,754 1,761 1,762 11,763 3,767 1,772 1,776 1,779 1,780 1,783 15,784 7,785 3,786 7,792 5,797 1,798 2,809 2,816 2,843 2,847 1,851 22,852 1,858 2,860 1,861 1,866 1,870 1,872 1,874 5.4,877 1,879 1,881 12,882 6.933,883 5.167,884 2.151,886 2.245,887 1.354,888 0.944,889 5.293,890 8.591,891 3.497,892 4.007,893 4.564,894 5.08,895 5.533,896 5.639,897 5.839,898 5.64,899 5.749,900 6.065,901 1,902 32,903 8.063,905 3.304,906 8.068,907 14.764,909 11.197,911 2.568,912 56.5,916 141.253,917 100.053,918 115.538,920 36.145,923 100.053,924 177.398,925 115.538,926 8.825,927 24.709,928 61.326,929 103.565,930 72.039,931 4.815,932 117.711,934 141.253,935 215.591,936 36.145,939 105.94,940 71.458,943 85.445,944 96.575,945 33.571,947 141.253,948 151.683,949 100.053,952 141.253,953 28.102,954 55.349,955 34.612,956 133.672,957 141.253,958 151.683,959 100.053,961 0.558,962 0.334,963 0.182,964 0.098,965 12,966 6,967 0.132,968 5,970 1,971 3.392,972 158.937,974 12,975 94.107,981 15.747,982 7.394,983 3.945,985 151.683,986 8.251,987 7.962,991 1.38,993 50.908,994 392.989,995 32,1000 12.143,1004 -0.394,1007 37.582,1008 41.986,1009 0.321,1010 0.768,1011 0.888,1012 0.903,1013 0.903,1014 0.903,1015 4.7,1016 1,1017 5.451,1018 2.329,1019 4.111,1020 4.691,1021 2.606,1022 6.217,1023 4.031,1024 5.899,1025 0.77,1026 6.986,1027 2.136,1028 3.611,1029 4.388,1031 7.066,1032 3.544,1033 7.19,1034 0.408,1035 8.625,1036 1.36,1037 5.652,1038 6.841,1039 3.669,1040 10.139,1041 5.516,1042 8.517,1043 -0.22,1044 10.326,1045 0.855,1046 5.994,1047 7.373,1049 11.816,1050 5.868,1051 9.875,1052 -0.312,1053 12.067,1054 -0.332,1055 7.483,1056 9.279,1057 4.99,1058 14.399,1059 7.297,1060 11.256,1061 -0.597,1062 13.834,1063 -0.671,1064 8.219,1065 10.216,1067 16.419,1068 8.028,1069 12.655,1070 -0.805,1071 15.619,1072 -1.323,1073 9.477,1074 11.875,1075 6.385,1076 18.83,1077 9.238,1078 3.078,1079 -1,1080 17.419,1081 -1.723,1082 10.405,1083 13.028,1085 21.005,1086 10.144,1087 2.635,1088 10.156,1089 19.229,1090 -2.347,1091 11.568,1092 14.567,1093 7.799,1094 23.352,1095 11.264,1096 2.466,1097 8.288,1098 21.048,1099 4.167,1100 12.589,1101 15.838,1103 25.598,1104 12.254,1105 2.01,1106 6.951,1107 22.873,1108 3.453,1109 13.715,1110 17.318,1111 9.218,1112 27.922,1113 13.34,1114 1.589,1115 5.777,1116 24.704,1117 3.296,1118 14.782,1119 18.656,1121 30.203,1122 14.371,1123 1.38,1124 3.984,1125 26.541,1126 2.558,1127 15.896,1128 20.105,1129 10.638,1130 32.519,1131 15.446,1132 1.172,1133 3.075,1134 28.381,1135 2.15,1136 16.986,1137 21.481,1139 34.817,1140 16.499,1141 4763,1142 8760,1143 14.909,1144 24.745,1145 34.323,1146 37.275,1147 34.805,1148 33.036,1149 33.017,1150 44.185,1151 8.897,1152 89.818,1153 31.597,1154 5.342,1155 6.087,1156 6.306,1157 5.093,1158 5.078,1159 7.167,1160 4.069,1161 17.043,1162 4.924,1163 11.543,1164 1.492,1165 1.621,1166 1.513,1167 1.436,1168 1.436,1169 1.921,1170 0.387,1171 3.905,1172 1.374,1173 3.961,1174 3.993,1175 3.932,1176 3.834,1177 7.429,1178 3.853,1179 3.865,1180 3.904,1181 3.806,1182 3.761,1183 6.82,1184 3.768,1185 3.498,1186 3.556,1187 3.422,1188 3.277,1189 5.111,1190 3.292,1191 3.426,1192 3.49,1193 3.272,1194 3.208,1195 4.899,1196 3.223,1197 3.127,1198 3.194,1199 3.058,1200 2.927,1201 4.759,1202 2.946,1203 2.993,1204 3.101,1205 2.864,1206 2.735,1207 4.289,1208 2.729,1209 2.854,1210 2.925,1211 2.742,1212 2.694,1213 4.081,1214 2.715,1215 2.823,1216 2.869,1217 2.687,1218 2.528,1219 3.688,1220 2.581,1221 0.194,1222 0.178,1223 0.283,1224 0.176,1225 0.134,1226 4.473,1227 0.181,1228 4.087,1229 0.088,1230 6.504,1231 0.442,1232 4.043,1233 0.129,1234 3.078,1235 4.167,1236 2.035,1237 10.156,1238 2.971,1239 1.878,1240 1.848,1241 1.984,1242 2.027,1243 1.094,1244 2.009,1245 1.833,1246 1.801,1247 1.907,1248 1.965,1249 0.978,1250 1.955,1251 1.464,1252 1.394,1253 1.782,1254 1.711,1255 0.901,1256 1.735,1257 1.334,1258 1.284,1259 1.509,1260 1.604,1261 0.562,1262 1.577,1263 1.061,1264 0.999,1265 1.195,1266 1.272,1267 0.218,1268 1.252,1269 0.886,1270 0.821,1271 1.181,1272 1.264,1273 0.171,1274 1.242,1275 0.882,1276 0.795,1277 1.153,1278 1.062,1279 0.09,1280 1.107,1281 0.673,1282 0.623,1283 0.992,1284 1.01,1286 0.981,1287 3.85,1289 5.118,1291 6.594,1293 8.168,1295 9.793,1297 1.759,1301 5.777,1303 0.663,1305 2.726,1306 5.26,1312 9.051,1313 1.922,1314 24.171,1315 61.933,1316 147.979,1317 171.24,1318 173.995,1319 173.995,1320 173.995,1321 46,1322 6.346,1323 113.92,1324 113.92,1325 12,1326 12.01,1327 3.907,1328 3.322,1329 42.236,1330 74,1331 74,1332 0.279,1333 155.486,1334 270.36,1335 371.146,1336 4027,1338 15.949,1339 0.725,1340 0.547,1341 15.949,1342 12.036,1343 10.651,1344 0.463,1345 0.289,1346 6.541,1347 10.157,1348 6.39,1349 5.342,1350 10.651,1351 6.658,1352 8.888,1353 0.296,1354 0.145,1355 8.888,1356 4.36,1357 7.307,1358 0.192,1359 0.075,1360 7.307,1361 2.845,1362 5.89,1363 0.128,1364 0.039,1365 5.89,1366 1.784,1367 4.424,1368 0.082,1369 0.02,1370 4.424,1371 1.103,1372 0.435,1373 67.399,1374 0.259,1375 21.843,1376 0.767,1377 106,1378 376.052,1379 118.751,1380 364.3,1381 484.21,1382 338,1383 121,1384 343.964,1385 133.559,1386 348.299,1387 501.72,1388 326,1389 5.1}
{0 CHEMBL1984274,1 1.662,2 10.406,3 4.442,4 19.727,5 120.012,6 8.843,7 0.639,8 4.022,9 4.126,10 3.729,11 3.598,12 5.308,13 3.616,14 4.466,15 4.582,16 4.099,17 3.97,18 5.755,19 3.979,20 4.723,21 4.887,22 4.214,23 4.049,24 6.056,25 4.059,26 4.713,27 4.885,28 4.18,29 3.959,30 6.099,31 3.992,32 4.659,33 4.822,34 4.122,35 3.907,36 6.143,37 3.944,38 4.605,39 4.773,40 4.009,41 3.917,42 5.914,43 3.922,44 4.607,45 4.767,46 4.031,47 3.985,48 5.849,49 3.977,50 4.69,51 4.851,52 4.099,53 4.059,54 6.031,55 4.031,56 0.176,57 0.764,58 6.606,59 3.705,60 12.953,61 3.845,62 0.282,63 1.163,64 10.71,65 5.798,66 18.233,67 6.427,68 0.532,69 1.435,70 18.59,71 7.754,72 51.619,73 9.059,74 0.565,75 1.438,76 18.9,77 6.965,78 57.533,79 7.557,80 0.685,81 1.349,82 17.829,83 6.174,84 84.21,85 6.102,86 0.528,87 1.263,88 16.98,89 6.384,90 57.557,91 6.492,92 0.396,93 1.254,94 16.29,95 6.976,96 44.304,97 7.497,98 0.559,99 1.337,100 17.846,101 8.147,102 61.517,103 9.514,104 10,105 51,106 0.274,107 0.534,108 0.632,109 0.776,110 0.854,111 0.867,112 3.503,113 0.81,114 -4.14,115 -4.09,116 -3.86,119 47.9,142 13,143 3,144 3,146 1,153 1,158 2,166 2,169 1,172 14,175 7,178 3,180 2,183 14,187 2,188 15,191 4,193 3,196 7,199 3,200 16,203 2,205 6,212 3,213 13,216 2,218 6,221 2,224 1,225 12,228 1,230 5,233 8,238 8,243 3,246 15,249 2,250 4,253 3,254 1,255 2,258 21,263 2,264 3,267 3,268 1,269 3,272 20,276 1810,277 22.035,278 22.035,279 22.035,280 22.035,281 22.035,282 18.943,283 19.153,284 13.02,285 22.257,286 17.765,287 17.765,288 17.765,289 17.765,290 17.765,291 13.024,292 15.702,293 6.153,294 18.093,295 3.923,296 2.353,297 1.761,298 0.883,299 0.417,300 0.333,301 4.212,305 1,306 1,307 736,308 2.739,311 82.759,312 364.561,316 140.266,319 1.443,320 38.608,323 1,324 0.83,325 1,326 0.4,328 1,329 1,330 0.75,331 70,332 333,333 4.64,334 3.729,335 6.885,336 4.232,337 3.272,338 4.397,339 0.98,340 11.479,341 3.204,342 4.549,343 3.4,344 6.857,345 4.195,346 3.2,347 4.213,348 0.98,349 11.366,350 3.117,351 4.061,352 3.39,353 6.193,354 3.673,355 2.7,356 3.623,358 9.07,359 2.624,360 3.784,361 2.789,362 5.713,363 3.397,364 2.402,365 3.275,367 7.466,368 2.386,369 3.7,370 2.694,371 5.558,372 3.286,373 2.3,374 3.048,376 7.036,377 2.26,378 3.468,379 2.42,380 5.058,381 3.079,382 2.072,383 2.696,385 5.741,386 2.07,387 3.21,388 1.934,389 4.692,390 2.738,391 1.763,392 2.49,394 4.613,395 1.716,396 3.075,397 1.792,398 4.416,399 2.608,400 1.631,401 2.274,403 4.122,404 1.59,405 2.917,406 1.676,407 4.353,408 2.485,409 1.499,410 2.026,412 3.979,413 1.47,414 2.684,415 1.36,416 3.705,417 2.254,418 1.261,419 1.724,421 2.876,422 1.25,423 2.638,424 1.333,425 3.635,426 2.145,427 1.173,428 1.663,430 2.788,431 1.135,432 2.529,433 1.209,434 3.506,435 2.024,436 1.057,437 1.542,439 2.618,440 1.018,441 2.5,442 1.096,443 3.323,444 2,445 1,446 1.5,448 2.136,449 1,450 2.5,451 1,452 3.247,453 2,454 1,455 1.5,457 2.136,458 1,459 2.265,460 1,461 3.247,462 1.617,463 0.628,464 0.976,466 1.594,467 0.619,468 14.9,469 0.466,470 0.713,471 0.022,472 48.5,473 1.516,474 28,475 0.875,476 20.5,477 0.641,478 21.545,479 0.673,480 31.9,481 0.665,482 39.988,483 1.25,484 9.88,485 0.309,486 5.751,487 0.18,488 0.067,490 0.362,496 0.702,497 0.898,498 0.655,499 0.808,500 0.662,501 0.739,502 0.598,503 1.289,504 0.747,505 1.082,506 0.602,507 0.978,508 0.805,509 1.151,510 0.788,511 1.013,512 0.851,513 0.925,514 1.166,515 1.182,516 0.92,517 0.99,518 1.104,519 0.906,520 1.358,521 1.04,522 1.051,523 0.85,524 1.136,525 0.852,526 1.335,527 0.937,528 1.109,529 0.841,530 1.095,531 0.889,532 1.116,533 1.002,534 1.003,535 0.946,536 0.925,537 0.938,538 0.685,539 0.913,540 0.934,541 1.042,542 0.738,543 1.052,544 4.5,545 0.182,546 4,547 2.951,548 2.025,549 1.098,550 0.536,551 0.454,552 0.424,553 0.307,554 13771,555 41796,556 2.154,557 33.3,559 13,562 3,567 1.751,568 2.043,569 3.363,570 0.884,572 1,577 79.772,578 1.662,579 3.231,580 3.824,581 4.701,582 5.168,583 5.252,584 2.686,585 4.75,586 4.975,587 3.523,588 1747.47,589 8.737,590 25102.2,592 1,595 268.078,596 1.317,597 4.943,598 0.125,599 0.005,600 0.078,601 0.054,602 0.039,603 0.022,604 0.012,605 0.01,606 0.009,607 0.007,608 0.361,609 0.33,610 0.88,611 0.476,612 165.526,613 0.007,614 0.196,615 0.02,616 0.101,617 -0.095,618 0.065,619 0.108,620 -0.223,621 -0.021,622 -0.163,623 -0.005,624 -0.138,625 0.141,626 -0.13,627 0.132,628 -0.067,629 0.051,630 0.001,631 -0.052,632 -0.117,633 0.034,634 -0.086,635 -0.026,636 -0.023,637 -0.098,638 0.047,639 -0.107,640 0.035,641 0.064,642 -0.013,643 -0.251,644 0.11,645 -0.179,646 0.085,647 -0.146,648 0.004,649 -0.206,650 0.002,651 -0.109,652 0.017,653 -0.131,654 -0.006,655 0.198,656 0.056,657 -0.021,658 -0.052,659 0.113,660 -0.083,661 2.165,662 5.314,663 0.844,664 28.41,665 1.021,666 1.119,667 2.911,668 8.475,669 0.713,670 3.611,671 3.951,672 4.29,673 4.595,674 4.836,675 4.89,676 5.05,677 5.193,678 5.328,679 5.398,680 6.552,681 0.706,682 424.45,683 3.611,684 5.165,685 6.043,686 6.938,687 7.834,688 8.737,689 9.64,690 10.547,691 11.454,692 12.363,693 12.5,700 2,701 1,703 1,705 2,709 13,710 1,714 8,715 1,716 23,732 1,735 48,737 26,738 3,739 36,741 52,742 23,743 21,744 5,745 13,746 2,748 5,749 6,762 23,767 3,772 2,775 2,776 2,780 1,783 16,784 8,785 3,786 9,792 6,795 1,796 1,797 0.8,798 3,807 1,815 1,816 4,820 1,843 4,851 32,857 1,860 2,874 6.3,876 1,877 2,881 15.667,882 8.667,883 7,884 2.699,886 4.2,887 1.52,888 1.017,889 5.076,890 12.275,891 3.942,892 4.562,893 5.213,894 5.834,895 6.379,896 6.679,897 7.168,898 7.616,899 8.074,900 8.468,901 0.857,902 55,903 11.819,905 5.24,906 7.958,907 21.807,909 17.947,911 2.458,912 78.667,915 1,916 153.024,917 153.184,918 87.542,920 92.973,923 153.184,924 245.998,925 87.542,927 35.776,928 123.191,929 119.046,930 22.36,931 33.326,932 153.024,934 153.024,935 240.726,936 92.973,939 153.024,940 92.973,943 40.31,944 150.427,945 49.989,947 153.024,948 180.515,949 153.184,952 153.024,953 29.993,954 124.968,955 35.776,956 142.962,957 153.024,958 180.515,959 153.184,961 0.582,962 0.356,963 0.204,964 0.113,965 26,966 11,967 0.077,968 4,969 1,970 1.074,971 4.239,972 311.11,973 0.074,974 27,975 152,981 19.823,982 8.194,983 3.618,985 178.739,986 23.118,987 4.547,991 2.233,992 1.372,993 78.46,994 486.724,995 50.5,1000 24.374,1003 8.446,1004 -0.942,1007 49.011,1008 53.694,1009 0.298,1010 0.579,1011 0.685,1012 0.842,1013 0.925,1014 0.94,1015 5.175,1016 1.631,1017 6.028,1018 4.613,1019 4.635,1020 5.25,1021 1.577,1022 6.884,1023 4.597,1024 6.395,1025 1.499,1026 7.612,1027 4.122,1028 4.205,1029 4.987,1031 7.888,1032 4.139,1033 7.709,1034 1.261,1035 9.304,1036 3.979,1037 6.26,1038 7.467,1039 1.545,1040 11.051,1041 6.178,1042 9.064,1043 1.173,1044 11.061,1045 2.876,1046 6.711,1047 8.085,1049 12.924,1050 6.597,1051 10.456,1052 1.057,1053 12.861,1054 2.788,1055 8.21,1056 9.989,1057 1.513,1058 15.6,1059 8.08,1060 11.874,1061 1,1062 14.689,1063 2.618,1064 9.062,1065 11.031,1067 17.807,1068 8.901,1069 13.314,1070 1,1071 16.538,1072 2.136,1073 10.35,1074 12.689,1075 1.481,1076 20.324,1077 10.169,1078 3.272,1079 0.628,1080 18.402,1081 2.136,1082 11.382,1083 13.942,1085 22.665,1086 11.172,1087 3.2,1088 11.479,1089 20.278,1090 1.594,1091 12.59,1092 15.49,1093 1.45,1094 25.126,1095 12.359,1096 2.7,1097 11.366,1098 22.162,1099 4.397,1100 13.701,1101 16.849,1103 27.521,1104 13.444,1105 2.402,1106 9.07,1107 24.053,1108 4.213,1109 14.882,1110 18.348,1111 1.419,1112 29.964,1113 14.603,1114 2.3,1115 7.466,1116 25.95,1117 3.623,1118 16.028,1119 19.759,1121 32.381,1122 15.723,1123 2.072,1124 7.036,1125 27.851,1126 3.275,1127 17.201,1128 21.237,1129 1.388,1130 34.817,1131 16.874,1132 1.763,1133 5.741,1134 29.756,1135 3.048,1136 18.362,1137 22.675,1139 37.244,1140 18.011,1141 12800,1142 22509,1143 24.561,1144 34.205,1145 55.489,1146 56.626,1147 55.776,1148 54.484,1149 54.33,1150 74.446,1151 3.919,1152 158.932,1153 53.359,1154 5.586,1155 5.729,1156 6.687,1157 5.27,1158 5.272,1159 7.397,1160 1.96,1161 18.992,1162 5.204,1163 12.659,1164 1.541,1165 1.573,1166 1.549,1167 1.513,1168 1.509,1169 2.068,1170 0.109,1171 4.415,1172 1.482,1173 4.077,1174 4.116,1175 4.053,1176 3.958,1177 7.438,1178 3.973,1179 3.974,1180 3.998,1181 3.944,1182 3.883,1183 7.421,1184 3.892,1185 3.861,1186 3.892,1187 3.791,1188 3.805,1189 6.472,1190 3.798,1191 3.67,1192 3.713,1193 3.614,1194 3.523,1195 5.025,1196 3.545,1197 3.44,1198 3.505,1199 3.376,1200 3.178,1201 4.824,1202 3.219,1203 3.194,1204 3.226,1205 3.166,1206 2.967,1207 4.729,1208 3.009,1209 2.981,1210 3.025,1211 2.948,1212 2.798,1213 4.576,1214 2.802,1215 2.884,1216 2.93,1217 2.799,1218 2.735,1219 4.408,1220 2.715,1221 0.129,1222 0.104,1223 0.191,1224 0.118,1225 0.091,1226 4.64,1227 0.122,1228 3.729,1229 0.027,1230 6.885,1231 0.319,1232 4.232,1233 0.089,1234 3.272,1235 4.397,1236 0.98,1237 11.479,1238 3.204,1239 1.941,1240 1.922,1241 2.023,1242 2.06,1243 1.123,1244 2.04,1245 1.908,1246 1.881,1247 2.013,1248 2.014,1249 1.096,1250 2.014,1251 1.894,1252 1.864,1253 2.001,1254 1.976,1255 1.078,1256 1.988,1257 1.43,1258 1.402,1259 1.48,1260 1.667,1261 0.578,1262 1.614,1263 1.307,1264 1.257,1265 1.451,1266 1.584,1267 0.394,1268 1.549,1269 1.213,1270 1.151,1271 1.304,1272 1.479,1273 0.344,1274 1.435,1275 1.038,1276 1.023,1277 1.181,1278 1.278,1279 0.218,1280 1.223,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.29,1289 5.624,1290 2.398,1291 7.168,1292 4.844,1293 8.806,1294 7.034,1295 10.495,1302 10.938,1305 4.581,1314 33.907,1315 79.772,1316 155.112,1317 183.566,1318 225.672,1319 248.078,1320 252.078,1321 61.279,1322 8.076,1323 128.49,1324 128.49,1325 29,1326 12.879,1327 4.755,1328 3.954,1329 45.39,1330 123,1331 120,1332 0.174,1333 206.198,1334 356.47,1335 494.884,1336 36753,1338 22.079,1339 0.69,1340 0.517,1341 22.079,1342 16.558,1343 15.631,1344 0.434,1345 0.27,1346 9.575,1347 15.029,1348 9.442,1349 7.82,1350 15.631,1351 9.715,1352 13.924,1353 0.273,1354 0.136,1355 13.924,1356 6.942,1357 12.443,1358 0.173,1359 0.069,1360 12.443,1361 4.946,1362 10.753,1363 0.11,1364 0.035,1365 10.753,1366 3.431,1367 8.981,1368 0.072,1369 0.018,1370 8.981,1371 2.263,1372 0.269,1373 98.28,1374 0.202,1375 29.409,1376 0.495,1377 174,1378 556.867,1379 192.327,1380 543.555,1381 748.9,1382 506,1383 210,1384 569.222,1385 230.688,1386 572.108,1387 841.51,1388 540,1389 5.1}
{0 CHEMBL1984363,1 1.58,2 12.071,3 4.296,4 18.455,5 109.285,6 7.967,7 0.71,8 3.959,9 4.081,10 3.577,11 3.554,12 5.166,13 3.54,14 4.434,15 4.581,16 3.946,17 3.942,18 5.626,19 3.91,20 4.677,21 4.851,22 3.992,23 4.055,24 5.88,25 4.004,26 4.766,27 4.984,28 3.9,29 4.019,30 5.921,31 3.945,32 4.692,33 4.914,34 3.78,35 3.92,36 5.854,37 3.836,38 4.615,39 4.858,40 3.621,41 3.806,42 5.702,43 3.709,44 4.44,45 4.674,46 3.455,47 3.664,48 5.63,49 3.554,50 4.313,51 4.56,52 3.368,53 3.553,54 5.321,55 3.45,56 0.081,57 0.762,58 8.332,59 4.004,60 11.333,61 4.875,62 0.136,63 1.19,64 14.567,65 6.934,66 21.055,67 8.77,68 0.249,69 1.486,70 20.434,71 8.623,72 41.582,73 10.574,74 0.319,75 1.56,76 25.069,77 9.696,78 56.388,79 12.315,80 0.356,81 1.33,82 23.372,83 8.576,84 53.583,85 11.372,86 0.303,87 1.216,88 22.789,89 8.291,90 53.166,91 11.048,92 0.358,93 1.021,94 18.858,95 7.224,96 72.222,97 9.613,98 0.169,99 0.928,100 16.932,101 6.833,102 33.222,103 9.162,104 17,105 44,106 0.265,107 0.611,108 0.759,109 0.863,110 0.873,111 0.873,112 3.374,113 0.86,114 -5.76,115 -5.63,116 -5.24,119 46.8,120 1,121 1,142 10,143 5,144 2,147 1,152 1,158 1,163 1,164 1,165 1,168 1,172 15,175 2,177 1,178 2,180 6,183 19,185 1,188 3,192 1,193 6,195 1,196 17,198 1,200 7,205 8,208 12,210 3,213 6,218 7,221 11,223 3,225 4,230 5,233 12,235 2,238 2,243 3,246 11,248 1,250 3,255 4,258 9,260 1,264 1,269 1,272 6,276 1168,277 18.809,278 18.809,279 18.809,280 18.809,281 18.809,282 15.963,283 16.28,284 10.924,285 18.985,286 15.282,287 15.282,288 15.282,289 15.282,290 15.282,291 11.07,292 20.515,293 5.182,294 15.578,295 3.975,296 1.916,297 1.037,298 0.415,299 0.356,300 0.356,301 4.07,305 1,306 1,307 741,308 3.082,311 66.529,312 276.084,315 124.748,319 2,320 28.769,322 1,323 0.75,324 0.83,325 1,326 0.6,328 1,329 1,330 0.74,331 60.5,332 338,333 4.661,334 3.629,335 6.879,336 4.21,337 3.223,338 4.621,339 1.987,340 11.471,341 3.18,342 4.226,343 3.24,344 5.958,345 3.822,346 2.85,347 3.875,348 0.324,349 8.386,350 2.769,351 4.078,352 3.154,353 5.887,354 3.681,355 2.688,356 3.693,358 8.16,359 2.664,360 3.796,361 2.71,362 5.518,363 3.463,364 2.476,365 3.137,367 7.391,368 2.439,369 3.568,370 2.433,371 5.247,372 3.193,373 2.222,374 2.906,376 6.58,377 2.152,378 3.344,379 2.356,380 4.953,381 2.874,382 1.914,383 2.703,385 5.407,386 1.836,387 3.261,388 1.984,389 4.649,390 2.822,391 1.815,392 2.487,394 4.947,395 1.812,396 2.955,397 1.782,398 4.431,399 2.468,400 1.475,401 2.148,403 4.132,404 1.462,405 2.82,406 1.552,407 4.04,408 2.392,409 1.414,410 1.948,412 3.521,413 1.374,414 2.631,415 1.187,416 3.817,417 2.138,418 1.157,419 1.692,421 2.803,422 1.133,423 2.5,424 1,425 3.414,426 2,427 1,428 1.5,430 2.275,431 1,432 2.174,433 0.871,434 3.327,435 1.705,436 0.721,437 1.031,439 1.753,440 0.708,441 1.536,442 0.786,443 3.007,444 1.221,445 0.293,446 0.346,448 0.689,449 0.266,450 1.337,451 0.625,452 2.602,453 1.002,454 0.009,455 0.011,457 0.022,458 0.009,459 0.96,460 0.247,461 2.394,462 0.644,463 -0.344,464 -0.421,466 -0.877,467 -0.337,468 13.219,469 0.472,470 0.75,471 0.027,472 39.75,473 1.42,474 22.5,475 0.804,476 17.25,477 0.616,478 19.798,479 0.707,480 28.781,481 0.612,482 29.868,483 1.067,484 8.113,485 0.29,486 5.396,487 0.193,488 0.115,490 0.378,494 1,496 0.657,497 0.862,498 0.735,499 0.828,500 0.62,501 0.794,502 0.548,503 1.02,504 0.73,505 1.006,506 0.544,507 0.93,508 1.043,509 1.095,510 1.059,511 1.098,512 1.012,513 1.088,514 1.132,515 1.098,516 1.082,517 1.087,518 1.078,519 1.075,520 0.882,521 0.818,522 1.056,523 1.02,524 0.919,525 1.06,526 0.947,527 0.836,528 1.016,529 0.949,530 0.975,531 0.983,532 0.734,533 0.835,534 1.022,535 1.001,536 0.789,537 1.058,538 0.754,539 0.931,540 0.833,541 0.983,542 0.803,543 0.944,544 6,545 0.118,546 3.333,547 2.222,548 1.399,549 0.903,550 0.532,551 0.301,552 0.244,553 0.232,554 10988,555 31807,556 2.094,557 40.4,558 3,559 10,562 4,563 2,567 1.704,568 1.953,569 3.517,570 1.627,572 1,577 74.248,578 1.58,579 3.639,580 4.518,581 5.139,582 5.198,583 5.198,584 2.924,585 4.352,586 4.782,587 3.751,588 1417.85,589 8.277,590 19433.7,592 1,594 1,595 261.066,596 1.432,597 4.736,598 0.194,599 0.006,600 0.076,601 0.051,602 0.036,603 0.027,604 0.018,605 0.013,606 0.011,607 0.011,608 0.44,610 0.88,611 0.573,612 142.921,613 -0.037,614 0.145,615 0.013,616 0.124,617 -0.087,618 0.091,619 0.098,620 -0.057,621 0.077,622 -0.025,623 0.049,624 0.007,625 -0.112,626 -0.091,627 -0.17,628 -0.127,629 -0.086,630 -0.155,631 -0.119,632 -0.074,633 -0.105,634 -0.1,635 -0.072,636 -0.095,637 -0.041,638 -0.009,639 -0.091,640 -0.066,641 -0.04,642 -0.084,643 -0.091,644 -0.005,645 -0.012,646 0.027,647 -0.076,648 0.027,649 0.112,650 0.004,651 -0.031,652 -0.004,653 0.125,654 -0.036,655 0.036,656 -0.038,657 0.174,658 0.053,659 0.012,660 0.122,661 1.957,662 5.336,663 0.75,664 27.571,665 1.007,666 1.125,667 4.533,668 20.546,669 0.692,670 3.466,671 3.807,672 4.078,673 4.344,674 4.533,675 4.543,676 4.654,677 4.762,678 4.762,679 4.844,680 7.311,681 0.668,682 374.45,683 3.466,684 5.017,685 5.872,686 6.756,687 7.625,688 8.511,689 9.386,690 10.273,691 11.152,692 12.041,693 8.5,697 1,700 1,701 1,703 1,708 2,709 10,710 1,711 1,714 7,716 22,727 1,734 1,735 47,737 23,738 3,739 31,741 50,742 22,743 19,744 8,745 10,748 4,749 5,754 1,760 1,762 20,763 2,767 1,772 1,776 1,780 1,781 1,783 19,784 5,785 4,786 6,792 4,797 0.75,798 1,807 1,815 1,816 3,819 1,829 1,843 3,847 1,849 1,851 28,852 1,858 1,860 1,873 1,874 2.1,877 1,881 14.333,882 8.676,883 6.056,884 2.65,886 4.121,887 1.539,888 1.04,889 4.845,890 11.774,891 3.784,892 4.446,893 5.059,894 5.687,895 6.215,896 6.474,897 6.896,898 7.321,899 7.526,900 7.892,901 0.875,902 44,903 10.334,905 4.474,906 7.899,907 19.414,909 16.026,911 2.399,912 67.167,915 1,916 176.567,917 142.492,918 84.234,920 25.145,921 14.96,923 142.492,924 201.711,925 99.194,926 8.825,927 20.545,928 127.66,929 46.513,930 43.856,931 19.432,932 176.567,934 176.567,935 226.726,936 40.105,939 191.527,940 25.145,943 46.033,944 164.029,945 16.663,947 191.527,948 109.379,949 142.492,952 176.567,953 38.904,954 103.588,955 34.674,956 89.665,957 176.567,958 124.339,959 142.492,961 0.589,962 0.346,963 0.186,964 0.099,965 22,966 10,967 0.08,968 4,969 1,970 1.095,971 4.038,972 240.244,973 0.095,974 21,975 128.606,981 18.206,982 7.451,983 3.785,984 1.771,985 107.676,986 18.15,987 4.067,988 2.915,991 4.119,993 67.571,994 443.397,995 43,1000 12.284,1004 -0.153,1007 47.316,1008 52.864,1009 0.284,1010 0.655,1011 0.813,1012 0.925,1013 0.936,1014 0.936,1015 5.014,1016 1.475,1017 5.866,1018 4.947,1019 4.489,1020 5.133,1021 2.076,1022 6.681,1023 4.452,1024 6.249,1025 1.414,1026 7.43,1027 4.132,1028 4.111,1029 4.997,1030 1.593,1031 7.585,1032 4.049,1033 7.569,1034 1.157,1035 9.09,1036 3.521,1037 6.089,1038 7.403,1039 3.1,1040 10.691,1041 6.02,1042 8.926,1043 1,1044 10.808,1045 2.803,1046 6.509,1047 8.091,1048 3.168,1049 12.459,1050 6.414,1051 10.312,1052 0.721,1053 12.564,1054 2.275,1055 7.971,1056 9.976,1057 4.312,1058 15.097,1059 7.871,1060 11.721,1061 0.293,1062 14.348,1063 1.753,1064 8.766,1065 11.074,1066 4.654,1067 17.248,1068 8.643,1069 13.148,1070 0.009,1071 16.155,1072 0.689,1073 10.024,1074 12.739,1075 5.601,1076 19.738,1077 9.894,1078 3.223,1079 -0.344,1080 17.979,1081 0.022,1082 11,1083 14.048,1084 6.091,1085 22.056,1086 10.85,1087 2.85,1088 11.471,1089 19.818,1090 -0.877,1091 12.177,1092 15.62,1093 6.927,1094 24.504,1095 12.019,1096 2.688,1097 8.386,1098 21.67,1099 4.621,1100 13.241,1101 17.036,1102 7.5,1103 26.892,1104 13.066,1105 2.476,1106 8.16,1107 23.533,1108 3.875,1109 14.392,1110 18.571,1111 8.273,1112 29.329,1113 14.206,1114 2.222,1115 7.391,1116 25.406,1117 3.693,1118 15.499,1119 20.04,1120 8.894,1121 31.746,1122 15.298,1123 1.914,1124 6.58,1125 27.286,1126 3.137,1127 16.644,1128 21.563,1129 9.631,1130 34.182,1131 16.432,1132 1.815,1133 5.407,1134 29.173,1135 2.906,1136 17.773,1137 23.059,1138 10.279,1139 36.612,1140 17.548,1141 10348,1142 17716,1143 20.69,1144 32.506,1145 47.039,1146 48.191,1147 48.448,1148 46.523,1149 46.515,1150 64.199,1151 4.622,1152 135.073,1153 45.606,1154 5.528,1155 5.629,1156 6.408,1157 5.226,1158 5.223,1159 7.621,1160 3.497,1161 18.697,1162 5.18,1163 14.058,1164 1.517,1165 1.555,1166 1.563,1167 1.501,1168 1.5,1169 2.071,1170 0.149,1171 4.357,1172 1.471,1173 4.136,1174 4.171,1175 4.103,1176 4.053,1177 8.201,1178 4.06,1179 3.95,1180 3.983,1181 3.902,1182 3.862,1183 7.429,1184 3.866,1185 3.863,1186 3.895,1187 3.805,1188 3.789,1189 5.248,1190 3.788,1191 3.488,1192 3.53,1193 3.426,1194 3.292,1195 4.786,1196 3.316,1197 3.358,1198 3.425,1199 3.269,1200 3.173,1201 4.675,1202 3.189,1203 3.164,1204 3.245,1205 3.003,1206 3.024,1207 4.646,1208 3.005,1209 3.034,1210 3.114,1211 2.916,1212 2.871,1213 4.313,1214 2.879,1215 2.91,1216 3,1217 2.808,1218 2.735,1219 3.947,1220 2.718,1221 0.15,1222 0.117,1223 0.222,1224 0.136,1225 0.104,1226 4.661,1227 0.149,1228 3.629,1229 0.064,1230 6.879,1231 0.37,1232 4.21,1233 0.103,1234 3.223,1235 4.621,1236 1.987,1237 11.471,1238 3.18,1239 2.021,1240 2.003,1241 2.102,1242 2.083,1243 1.263,1244 2.09,1245 1.908,1246 1.882,1247 2.012,1248 2.014,1249 1.127,1250 2.014,1251 1.81,1252 1.784,1253 1.924,1254 1.905,1255 1.073,1256 1.912,1257 1.405,1258 1.361,1259 1.592,1260 1.698,1261 0.707,1262 1.649,1263 1.327,1264 1.251,1265 1.514,1266 1.604,1267 0.599,1268 1.586,1269 1.191,1270 1.116,1271 1.464,1272 1.398,1273 0.354,1274 1.44,1275 1.039,1276 0.975,1277 1.248,1278 1.298,1279 0.279,1280 1.294,1281 0.915,1282 0.857,1283 1.181,1284 1.137,1285 0.218,1286 1.141,1287 4.143,1289 5.476,1290 2.398,1291 6.999,1292 4.727,1293 8.607,1294 6.823,1295 10.262,1297 1.664,1299 13.336,1301 5.985,1303 0.231,1305 2.798,1314 31.398,1315 74.248,1316 171.017,1317 212.337,1318 241.556,1319 244.311,1320 244.311,1321 50.484,1322 7.652,1323 83.8,1324 83.8,1325 23,1326 12.573,1327 4.585,1328 3.7,1329 42.798,1330 126,1331 114,1332 0.167,1333 192.399,1334 325.94,1335 461.213,1336 23921,1337 2.1,1338 19.673,1339 0.703,1340 0.546,1341 18.803,1342 15.291,1343 13.508,1344 0.436,1345 0.287,1346 8.793,1347 13.093,1348 8.564,1349 7.118,1350 13.097,1351 8.89,1352 12.478,1353 0.284,1354 0.153,1355 11.982,1356 6.723,1357 10.476,1358 0.181,1359 0.081,1360 9.814,1361 4.689,1362 8.753,1363 0.115,1364 0.043,1365 8.653,1366 3.254,1367 6.952,1368 0.076,1369 0.023,1370 6.696,1371 2.126,1372 0.269,1373 84.097,1374 0.22,1375 27.159,1376 0.437,1377 150,1378 465.47,1379 162.623,1380 436.542,1381 593.07,1382 406,1383 177,1384 438.52,1385 188.925,1386 443.117,1387 643.36,1388 417,1389 6.1}
{0 CHEMBL1984367,1 1.583,2 12.333,3 4.25,4 18.064,5 112.392,6 8.011,7 0.7,8 3.953,9 4.071,10 3.635,11 3.579,12 5.069,13 3.53,14 4.447,15 4.613,16 4.017,17 3.97,18 5.512,19 3.9,20 4.617,21 4.79,22 4.036,23 4.042,24 5.668,25 3.945,26 4.717,27 4.943,28 3.843,29 3.988,30 5.723,31 3.866,32 4.65,33 4.892,34 3.82,35 3.925,36 5.659,37 3.785,38 4.48,39 4.705,40 3.766,41 3.795,42 5.531,43 3.659,44 4.246,45 4.411,46 3.616,47 3.65,48 5.376,49 3.529,50 4.302,51 4.539,52 3.447,53 3.537,54 5.35,55 3.43,56 0.051,57 0.707,58 9.152,59 4.209,60 7.342,61 5.244,62 0.178,63 1.143,64 17.897,65 6.912,66 15.536,67 8.761,68 0.131,69 1.299,70 22.996,71 8.939,72 20.447,73 11.332,74 0.218,75 1.376,76 26.939,77 9.912,78 34.674,79 12.574,80 0.235,81 1.283,82 26.783,83 9.973,84 35.276,85 12.8,86 0.277,87 1.092,88 23.525,89 8.549,90 31.501,91 10.343,92 0.146,93 0.899,94 18.807,95 6.688,96 24.736,97 7.263,98 0.251,99 0.914,100 20.002,101 6.479,102 28.947,103 7.909,104 11,105 42,106 0.266,107 0.597,108 0.707,109 0.798,110 0.808,111 0.808,112 3.339,113 0.951,114 -4.3,115 -4.24,116 -4,119 44.7,124 2,125 1,142 10,143 3,144 1,152 2,158 1,161 1,168 1,172 11,175 4,178 1,180 3,183 13,188 6,193 8,196 8,200 5,205 5,208 5,212 1,213 4,216 1,218 1,221 7,225 4,228 2,229 1,230 1,233 8,238 3,243 2,246 7,249 1,250 4,255 3,258 3,264 5,269 3,272 4,276 1150,277 18.361,278 18.361,279 18.361,280 18.361,281 18.361,282 15.882,283 14.261,284 10.809,285 18.735,286 14.804,287 14.804,288 14.804,289 14.804,290 14.804,291 10.98,292 19.434,293 5.138,294 15.411,295 3.972,296 2.009,297 1.351,298 0.814,299 0.756,300 0.756,301 4.036,305 1,306 1,307 729,308 3.391,311 130.822,312 181.432,314 107.023,319 1.975,320 16.529,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 57,332 333,333 4.653,334 3.577,335 6.746,336 4.169,337 3.214,338 4.611,339 1.081,340 11.054,341 3.078,342 4.118,343 3.146,344 6.058,345 3.76,346 2.793,347 3.683,348 0.8,349 8.727,350 2.702,351 4.073,352 2.997,353 5.929,354 3.689,355 2.726,356 3.613,357 0.473,358 8.226,359 2.615,360 3.778,361 2.646,362 5.635,363 3.374,364 2.406,365 3.211,367 7.315,368 2.322,369 3.601,370 2.5,371 5.293,372 3.268,373 2.287,374 2.884,376 6.754,377 2.233,378 3.186,379 1.838,380 4.629,381 2.668,382 1.717,383 2.484,385 4.599,386 1.623,387 2.896,388 1.604,389 4.191,390 2.395,391 1.442,392 2.044,394 3.803,395 1.363,396 2.701,397 1.561,398 3.979,399 2.241,400 1.289,401 1.775,403 3.157,404 1.219,405 2.5,406 1.266,407 3.777,408 2.141,409 1.197,410 1.5,412 2.9,413 1.11,414 2.5,415 1.103,416 3.492,417 2,418 1,419 1.5,421 2.472,422 1,423 2.493,424 1.005,425 3.414,426 2,427 1,428 1.491,430 2.275,431 1,432 2.411,433 1,434 3.247,435 1.913,436 0.963,437 1.352,439 2.136,440 0.906,441 1.762,442 1,443 3.057,444 1.422,445 0.431,446 0.54,448 1.004,449 0.419,450 1.674,451 0.202,452 2.995,453 1.118,454 0.202,455 0.294,457 0.548,458 0.181,459 0.912,460 0.077,461 2.302,462 0.554,463 -0.434,464 -0.541,466 -0.99,467 -0.425,468 13.267,469 0.491,470 0.644,471 0.024,472 37,473 1.37,474 20,475 0.741,476 17,477 0.63,478 20.209,479 0.748,480 27.533,481 0.586,482 25.99,483 0.963,484 7.453,485 0.276,486 5.661,487 0.21,488 0.101,490 0.332,496 0.739,497 1.067,498 0.736,499 0.857,500 0.602,501 0.845,502 0.885,503 0.942,504 0.809,505 0.792,506 0.602,507 0.784,508 0.816,509 1.317,510 0.954,511 1.229,512 0.887,513 1.133,514 1.227,515 1.069,516 1.019,517 1.01,518 1.285,519 1.032,520 0.775,521 0.932,522 0.932,523 0.968,524 0.786,525 0.933,526 1.088,527 0.781,528 1.063,529 0.934,530 1.317,531 0.868,532 1.712,533 1.238,534 1.629,535 1.392,536 1.859,537 1.186,538 1.458,539 0.877,540 1.166,541 0.925,542 1.436,543 0.853,544 5,545 0.098,546 3.333,547 1.479,548 1.233,549 0.942,550 0.47,551 0.29,552 0.235,553 0.159,554 9986,555 24900,556 2.12,557 42.6,559 18,562 2,567 1.695,568 2,569 3.591,570 0.231,572 1,577 74.388,578 1.583,579 3.545,580 4.204,581 4.74,582 4.799,583 4.799,584 3.106,585 4.385,586 4.724,587 3.758,588 1319.18,589 8.171,590 17494.2,592 1,594 1,595 261.066,596 1.352,597 4.694,598 0.167,599 0.005,600 0.079,601 0.037,602 0.036,603 0.029,604 0.016,605 0.012,606 0.01,607 0.007,608 0.399,609 0.17,610 1,611 0.704,612 136.226,613 0.033,614 0.029,615 0.064,616 0.054,617 -0.053,618 0.039,619 0.017,620 0.143,621 0.115,622 0.161,623 0.04,624 0.13,625 0.059,626 -0.319,627 0.003,628 -0.235,629 0.001,630 -0.176,631 -0.127,632 -0.097,633 -0.069,634 -0.06,635 -0.119,636 -0.065,637 0.155,638 0.024,639 0.107,640 0.046,641 0.157,642 0.077,643 0.132,644 0.207,645 0.109,646 0.152,647 0.083,648 0.131,649 -0.286,650 -0.166,651 -0.31,652 -0.217,653 -0.168,654 -0.237,655 -0.081,656 0.145,657 -0.061,658 0.082,659 -0.012,660 0.107,661 1.742,662 5.562,663 0.741,664 27.813,665 0.997,666 1.116,667 3.075,668 9.453,669 0.707,670 3.434,671 3.761,672 4.043,673 4.29,674 4.489,675 4.605,676 4.7,677 4.727,678 4.844,679 4.86,680 7.18,681 0.664,682 376.52,683 3.434,684 4.977,685 5.832,686 6.708,687 7.583,688 8.467,689 9.351,690 10.24,691 11.13,692 12.023,693 8.5,699 1,700 1,701 1,703 1,708 2,709 10,710 1,711 1,713 1,714 5,716 21,723 1,730 1,735 47,737 22,738 2,739 30,741 50,742 21,743 17,744 3,745 9,746 1,748 4,749 5,762 18,763 3,767 1,772 1,776 1,780 1,783 20,784 4,785 2,786 6,787 1,792 4,797 0.75,798 1,807 1,815 2,816 2,818 1,843 3,845 1,847 2,851 27,858 1,860 1,864 1,869 1,874 2.1,877 1,881 13.5,882 9.067,883 5.889,884 2.633,886 3.82,887 1.502,888 1.026,889 5.057,890 11.429,891 3.75,892 4.382,893 5.019,894 5.635,895 6.147,896 6.509,897 6.914,898 7.174,899 7.556,900 7.827,901 1,902 40,903 9.955,905 4.209,906 7.636,907 19.164,909 15.707,911 2.136,912 57.667,915 1,916 211.88,917 165.776,918 54.461,920 25.145,922 31.278,923 134.499,924 237.025,925 54.461,926 16.793,927 20.116,928 94.762,929 46.83,930 31.488,931 4.115,932 243.158,934 211.88,935 188.96,936 25.145,937 31.278,939 211.88,940 25.145,943 37.096,944 135.2,945 16.663,946 31.278,947 211.88,948 79.606,949 165.776,952 211.88,953 54.221,954 114.68,955 34.674,956 41.808,957 211.88,958 79.606,959 165.776,961 0.584,962 0.341,963 0.176,964 0.095,965 21,966 9,967 0.1,968 5,969 1,970 1.1,971 4.017,972 227.215,973 0.1,974 20,975 118.382,977 1,981 17.897,982 7.629,983 3.798,984 1.82,985 62.943,986 20.094,987 4.351,988 3.073,990 1.401,991 4.883,993 34.674,994 457.262,995 41.5,1000 12.562,1004 -0.075,1007 46.88,1008 52.444,1009 0.285,1010 0.638,1011 0.757,1012 0.853,1013 0.864,1014 0.864,1015 4.972,1016 1.289,1017 5.814,1018 3.803,1019 4.443,1020 5.069,1021 1.557,1022 6.621,1023 4.365,1024 6.188,1025 1.197,1026 7.372,1027 3.157,1028 4.007,1029 4.844,1030 0.325,1031 7.519,1032 3.884,1033 7.496,1034 1,1035 9.031,1036 2.9,1037 6.033,1038 7.315,1039 1.457,1040 10.614,1041 5.883,1042 8.845,1043 1,1044 10.749,1045 2.472,1046 6.447,1047 7.981,1048 0.268,1049 12.369,1050 6.242,1051 10.229,1052 0.963,1053 12.506,1054 2.275,1055 7.923,1056 9.884,1057 1.5,1058 14.974,1059 7.695,1060 11.637,1061 0.431,1062 14.289,1063 2.136,1064 8.717,1065 10.976,1066 0.188,1067 17.082,1068 8.43,1069 13.065,1070 0.202,1071 16.092,1072 1.004,1073 9.979,1074 12.648,1075 1.59,1076 19.533,1077 9.666,1078 3.214,1079 -0.434,1080 17.909,1081 0.548,1082 10.952,1083 13.956,1084 0.125,1085 21.798,1086 10.582,1087 2.793,1088 11.054,1089 19.738,1090 -0.99,1091 12.13,1092 15.532,1093 1.699,1094 24.203,1095 11.728,1096 2.726,1097 8.727,1098 21.577,1099 4.611,1100 13.19,1101 16.949,1102 0.082,1103 26.539,1104 12.735,1105 2.406,1106 8.226,1107 23.423,1108 3.683,1109 14.339,1110 18.487,1111 1.818,1112 28.933,1113 13.847,1114 2.287,1115 7.315,1116 25.276,1117 3.613,1118 15.443,1119 19.959,1120 0.054,1121 31.303,1122 14.901,1123 1.717,1124 6.754,1125 27.135,1126 3.211,1127 16.586,1128 21.485,1129 1.945,1130 33.697,1131 16.003,1132 1.442,1133 4.599,1134 29,1135 2.884,1136 17.713,1137 22.984,1138 0.035,1139 36.082,1140 17.082,1141 9433,1142 15087,1143 20.285,1144 33.216,1145 45.959,1146 46.149,1147 46.486,1148 45.344,1149 45.336,1150 61.964,1151 4.707,1152 129.936,1153 43.544,1154 5.527,1155 5.577,1156 6.548,1157 5.323,1158 5.214,1159 7.611,1160 2.162,1161 18.236,1162 5.078,1163 11.975,1164 1.532,1165 1.538,1166 1.55,1167 1.511,1168 1.511,1169 2.065,1170 0.157,1171 4.331,1172 1.451,1173 4.131,1174 4.155,1175 4.357,1176 4.095,1177 7.429,1178 4.062,1179 3.941,1180 3.979,1181 3.878,1182 3.866,1183 5.07,1184 3.863,1185 3.821,1186 3.846,1187 3.823,1188 3.786,1189 4.753,1190 3.761,1191 3.544,1192 3.619,1193 3.474,1194 3.311,1195 4.698,1196 3.335,1197 3.405,1198 3.471,1199 3.323,1200 3.189,1201 4.237,1202 3.199,1203 3.117,1204 3.194,1205 3.146,1206 2.951,1207 4.153,1208 2.929,1209 2.874,1210 3.009,1211 2.796,1212 2.735,1213 3.912,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.674,1220 2.715,1221 0.155,1222 0.119,1223 0.225,1224 0.139,1225 0.107,1226 4.653,1227 0.154,1228 3.577,1229 0.036,1230 6.746,1231 0.368,1232 4.169,1233 0.103,1234 3.214,1235 4.611,1236 1.081,1237 11.054,1238 3.078,1239 1.927,1240 1.9,1241 2.042,1242 2.031,1243 1.179,1244 2.038,1245 1.921,1246 1.892,1247 2.03,1248 2.002,1249 1.129,1250 2.012,1251 1.602,1252 1.582,1253 1.755,1254 1.778,1255 0.864,1256 1.772,1257 1.484,1258 1.469,1259 1.67,1260 1.668,1261 0.809,1262 1.677,1263 1.412,1264 1.351,1265 1.503,1266 1.575,1267 0.659,1268 1.542,1269 1.238,1270 1.157,1271 1.417,1272 1.527,1273 0.542,1274 1.527,1275 1.082,1276 1.011,1277 1.321,1278 1.239,1279 0.469,1280 1.308,1281 0.934,1282 0.821,1283 1.194,1284 1.238,1285 0.293,1286 1.283,1287 4.111,1289 5.434,1290 3.045,1291 6.94,1292 5.416,1293 8.528,1294 7.526,1295 10.161,1297 4.015,1303 0.5,1305 2.994,1309 2.05,1314 31.202,1315 74.388,1316 166.627,1317 197.582,1318 222.801,1319 225.556,1320 225.556,1321 38.055,1322 7.608,1323 61.02,1324 89.26,1325 22,1326 12.551,1327 4.524,1328 3.644,1329 40.518,1330 116,1331 113,1332 0.169,1333 195.666,1334 323.72,1335 469.186,1336 22176,1338 18.803,1339 0.696,1340 0.593,1341 19.156,1342 16.008,1343 13.114,1344 0.437,1345 0.317,1346 8.664,1347 12.302,1348 8.306,1349 6.952,1350 13.522,1351 9.511,1352 11.874,1353 0.283,1354 0.18,1355 12.516,1356 7.568,1357 10.131,1358 0.181,1359 0.098,1360 10.972,1361 5.471,1362 8.169,1363 0.113,1364 0.053,1365 9.024,1366 3.841,1367 6.424,1368 0.073,1369 0.029,1370 7.223,1371 2.527,1372 0.272,1373 85.451,1374 0.222,1375 26.391,1376 0.444,1377 144,1378 384.552,1379 179.304,1380 403.09,1381 559.77,1382 378,1383 170,1384 403.633,1385 204.731,1386 431.347,1387 629.23,1388 404,1389 5.1}
{0 CHEMBL1984432,1 1.418,2 10.13,3 4.159,4 17.298,5 93.98,6 7.585,7 0.808,8 3.807,9 3.938,10 3.413,11 3.389,12 4.927,13 3.365,14 4.299,15 4.477,16 3.757,17 3.781,18 5.32,19 3.743,20 4.451,21 4.634,22 3.696,23 3.871,24 5.444,25 3.785,26 4.591,27 4.842,28 3.589,29 3.804,30 5.494,31 3.689,32 4.468,33 4.744,34 3.464,35 3.617,36 5.354,37 3.518,38 4.279,39 4.537,40 3.386,41 3.469,42 5.252,43 3.389,44 4.162,45 4.442,46 3.196,47 3.33,48 5.068,49 3.238,50 3.837,51 4.032,52 3.034,53 3.277,54 4.788,55 3.179,56 0.099,57 0.645,58 7.808,59 3.398,60 9.544,61 4.526,62 0.107,63 1.003,64 14.111,65 5.528,66 11.291,67 7.644,68 0.08,69 1.126,70 16.448,71 6.791,72 16.942,73 9.382,74 0.154,75 1.215,76 21.627,77 7.673,78 24.928,79 11.138,80 0.189,81 1.064,82 20.106,83 6.368,84 23.284,85 9.465,86 0.191,87 0.914,88 16.07,89 5.107,90 23.777,91 7.501,92 0.274,93 0.798,94 14.932,95 4.536,96 20.667,97 6.661,98 0.061,99 0.586,100 9.091,101 3.807,102 9.633,103 5.253,104 5,105 37,106 0.247,107 0.621,108 0.766,109 0.842,110 0.877,111 0.877,112 3.188,113 0.875,114 -4.38,115 -4.31,116 -4.07,119 45,120 2,125 1,142 6,143 5,145 1,146 1,151 1,152 1,166 2,168 1,172 12,174 1,175 3,180 2,183 14,188 9,193 2,196 9,200 14,205 1,208 3,213 10,221 1,224 1,225 5,228 1,233 4,237 2,238 2,241 2,246 9,250 1,258 11,264 1,269 1,272 9,276 649,277 15.687,278 15.687,279 15.687,280 15.687,281 15.687,282 13.191,283 11.664,284 9.134,285 15.847,286 12.853,287 12.853,288 12.853,289 12.853,290 12.853,291 9.155,292 16.546,293 4.373,294 13.111,295 3.904,296 1.757,297 0.925,298 0.488,299 0.288,300 0.288,301 3.887,305 1,306 1,307 520,308 2.236,311 112.712,312 132.685,315 92.479,319 1.614,320 9.827,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 48.5,332 233,333 4.471,334 3.134,335 6.307,336 4.013,337 3.031,338 4.392,339 0.522,340 9.644,341 2.977,342 4.272,343 3.004,344 6.104,345 3.88,346 2.889,347 3.928,349 8.933,350 2.865,351 4.14,352 2.757,353 6.011,354 3.694,355 2.719,356 3.796,358 8.606,359 2.646,360 3.626,361 2.448,362 5.284,363 3.251,364 2.276,365 3.019,367 6.725,368 2.219,369 3.407,370 2.201,371 4.927,372 3.019,373 2.029,374 2.732,376 5.682,377 2.006,378 3.034,379 1.674,380 4.416,381 2.518,382 1.534,383 2.301,385 4.29,386 1.507,387 2.88,388 1.534,389 4.247,390 2.469,391 1.481,392 2.027,394 3.897,395 1.463,396 2.76,397 1.358,398 4.072,399 2.281,400 1.309,401 1.874,403 3.464,404 1.269,405 2.517,406 1.043,407 3.435,408 1.996,409 1.031,410 1.526,412 2.365,413 0.993,414 2.188,415 0.72,416 3.278,417 1.685,418 0.702,419 1.038,421 1.701,422 0.689,423 1.89,424 0.575,425 3.044,426 1.373,427 0.401,428 0.592,430 0.995,431 0.389,432 1.566,433 0.39,434 2.956,435 1.281,436 0.295,437 0.363,439 0.715,440 0.29,441 0.824,442 -0.165,443 2.509,444 0.488,445 -0.509,446 -0.62,448 -1.242,449 -0.5,450 0.795,451 -0.322,452 2.359,453 0.445,454 -0.53,455 -0.652,457 -1.447,458 -0.52,459 0.677,460 -0.665,461 2.192,462 0.288,463 -0.699,464 -0.963,466 -1.899,467 -0.69,468 11,469 0.478,470 0.571,471 0.025,472 32.25,473 1.402,474 18,475 0.783,476 14.25,477 0.62,478 15.946,479 0.693,480 23.2,481 0.58,482 20.838,483 0.906,484 6.498,485 0.283,486 4.688,487 0.204,488 0.091,490 0.355,496 0.564,497 0.949,498 0.745,499 0.926,500 0.717,501 0.871,502 0.914,503 1.034,504 0.77,505 0.867,506 0.727,507 0.812,508 0.922,509 1.267,510 1.132,511 1.285,512 1.022,513 1.244,514 1.025,515 1.189,516 1.051,517 1.139,518 1.022,519 1.106,520 1.239,521 1.019,522 0.927,523 0.865,524 0.965,525 0.859,526 1.177,527 1.041,528 0.949,529 0.918,530 1.162,531 0.907,532 1.208,533 0.524,534 0.962,535 0.624,536 1.094,537 0.737,538 0.886,539 0.946,540 1.113,541 1.101,542 1.056,543 1.129,544 5,545 0.103,546 2.667,547 1.292,548 1.232,549 0.434,550 0.458,551 0.23,552 0.128,553 0.148,554 6356,555 14974,556 2.168,557 42.5,558 6,559 8,560 1,561 1,562 1,567 1.652,568 2.06,569 3.317,570 -0.326,572 1,577 56.722,578 1.418,579 3.565,580 4.396,581 4.834,582 5.034,583 5.034,584 2.757,585 4.056,586 4.497,587 3.471,588 878.204,589 7.716,590 10046.1,592 1,593 1,594 1,595 212.877,596 1.302,597 4.469,598 0.192,599 0.007,600 0.072,601 0.039,602 0.044,603 0.017,604 0.02,605 0.012,606 0.008,607 0.01,608 0.422,609 0.5,610 1,611 0.503,612 108.359,613 0.367,614 0.186,615 0.08,616 0.035,617 0.103,618 0.024,619 0.022,620 0.032,621 0.118,622 0.104,623 0.094,624 0.12,625 -0.123,626 -0.247,627 -0.253,628 -0.297,629 -0.179,630 -0.292,631 -0.059,632 -0.239,633 -0.063,634 -0.164,635 -0.04,636 -0.123,637 -0.089,638 -0.064,639 0.112,640 0.085,641 0.083,642 0.117,643 0.063,644 -0.04,645 0.07,646 0.01,647 0.072,648 0.036,649 0.13,650 0.481,651 0.09,652 0.297,653 0.079,654 0.208,655 -0.18,656 0.045,657 -0.224,658 -0.088,659 -0.218,660 -0.148,661 0.794,662 1.303,663 0.87,664 18.507,665 0.995,666 1.125,667 3.148,668 9.908,669 0.69,670 3.296,671 3.638,672 3.912,673 4.174,674 4.331,675 4.407,676 4.533,677 4.663,678 4.682,679 4.779,680 6.007,681 0.657,682 303.4,683 3.296,684 4.844,685 5.7,686 6.581,687 7.449,688 8.33,689 9.204,690 10.084,691 10.961,692 11.841,693 12.5,701 2,703 3,708 2,709 8,710 3,711 1,714 5,715 1,716 21,735 40,737 21,738 2,739 26,741 43,742 18,743 15,744 6,745 6,748 4,749 5,754 2,762 15,763 3,780 1,783 17,784 3,785 1,786 5,792 5,797 0.75,807 1,815 2,816 2,819 1,843 3,847 2,851 23,858 1,871 1,881 11.167,882 7.967,883 4.917,884 2.344,886 4.028,887 1.549,888 1.038,889 3.378,890 11.357,891 3.624,892 4.304,893 4.934,894 5.552,895 6.015,896 6.366,897 6.813,898 7.28,899 7.533,900 7.919,901 0.857,902 33,903 8.433,905 3.558,906 7.529,907 16.381,909 13.535,911 2.029,912 46.667,915 1,916 188.338,917 114.925,918 68.306,923 114.925,924 188.338,925 68.306,926 17.65,927 2.106,928 65.905,929 61.638,930 45.559,931 13.915,932 164.795,934 188.338,935 183.231,939 188.338,943 50,944 83.364,945 49.867,947 188.338,948 68.306,949 114.925,952 188.338,953 22.322,954 94.379,955 16.663,956 49.867,957 188.338,958 68.306,959 114.925,961 0.589,962 0.343,963 0.183,964 0.092,965 20,966 8,967 0.07,968 3,969 1,970 1.1,971 3.656,972 186.664,973 0.1,974 20,975 102.042,981 14.012,982 5.544,983 2.725,984 2.1,985 49.867,986 16.41,987 12.613,988 2.956,991 5.738,992 1.882,993 16.663,994 371.568,995 36.5,1007 39.811,1008 44.983,1009 0.266,1010 0.67,1011 0.826,1012 0.908,1013 0.946,1014 0.946,1015 4.846,1016 1.309,1017 5.687,1018 3.897,1019 4.317,1020 4.99,1021 0.434,1022 6.485,1023 4.28,1024 6.08,1025 1.031,1026 7.236,1027 3.464,1028 3.892,1029 4.808,1031 7.31,1032 3.843,1033 7.397,1034 0.702,1035 8.879,1036 2.365,1037 5.905,1038 7.269,1039 0.138,1040 10.383,1041 5.833,1042 8.75,1043 0.401,1044 10.575,1045 1.701,1046 6.293,1047 7.93,1049 12.011,1050 6.208,1051 10.133,1052 0.295,1053 12.305,1054 0.995,1055 7.759,1056 9.817,1057 0.039,1058 14.569,1059 7.655,1060 11.536,1061 -0.509,1062 14.057,1063 0.715,1064 8.514,1065 10.874,1067 16.528,1068 8.396,1069 12.954,1070 -0.53,1071 15.826,1072 -1.242,1073 9.758,1074 12.519,1075 0.011,1076 18.894,1077 9.623,1078 3.031,1079 -0.699,1080 17.606,1081 -1.447,1082 10.685,1083 13.773,1085 21,1086 10.535,1087 2.889,1088 9.644,1089 19.395,1090 -1.899,1091 11.834,1092 15.309,1093 0.003,1094 23.289,1095 11.669,1096 2.719,1097 8.933,1098 21.19,1099 4.392,1100 12.842,1101 16.662,1103 25.463,1104 12.661,1105 2.276,1106 8.606,1107 22.991,1108 3.928,1109 13.952,1110 18.151,1111 0.001,1112 27.721,1113 13.756,1114 2.029,1115 6.725,1116 24.796,1117 3.796,1118 14.999,1119 19.554,1121 29.928,1122 14.788,1123 1.534,1124 5.682,1125 26.604,1126 3.019,1127 16.093,1128 21.024,1130 32.174,1131 15.867,1132 1.481,1133 4.29,1134 28.415,1135 2.732,1136 17.16,1137 22.455,1139 34.399,1140 16.919,1141 5910,1142 9228,1143 17.8,1144 27.597,1145 39.81,1146 39.423,1147 39.854,1148 39.383,1149 39.396,1150 55.176,1151 1.043,1152 114.037,1153 38.625,1154 5.245,1155 5.134,1156 5.817,1157 5.037,1158 5.031,1159 7.392,1160 1.043,1161 16.142,1162 4.977,1163 8.663,1164 1.531,1165 1.516,1166 1.533,1167 1.515,1168 1.515,1169 2.122,1170 0.04,1171 4.386,1172 1.486,1173 4.122,1174 4.165,1175 4.085,1176 4.016,1177 5.144,1178 4.027,1179 3.978,1180 4.02,1181 3.922,1182 3.907,1183 5.035,1184 3.903,1185 3.795,1186 3.859,1187 3.755,1188 3.573,1189 4.715,1190 3.613,1191 3.342,1192 3.411,1193 3.249,1194 3.193,1195 4.331,1196 3.19,1197 3.247,1198 3.33,1199 3.084,1200 3.073,1201 3.972,1202 3.071,1203 3.092,1204 3.175,1205 2.909,1206 2.946,1207 3.838,1208 2.929,1209 2.938,1210 3.007,1211 2.809,1212 2.792,1213 3.766,1214 2.79,1215 2.783,1216 2.888,1217 2.56,1218 2.563,1219 3.566,1220 2.546,1221 0.172,1222 0.121,1223 0.243,1224 0.154,1225 0.117,1226 4.471,1227 0.169,1228 3.134,1229 0.02,1230 6.307,1231 0.371,1232 4.013,1233 0.115,1234 3.031,1235 4.392,1236 0.522,1237 9.644,1238 2.977,1239 1.965,1240 1.939,1241 2.081,1242 2.049,1243 1.251,1244 2.06,1245 1.944,1246 1.921,1247 2.025,1248 2.018,1249 1.172,1250 2.022,1251 1.49,1252 1.427,1253 1.688,1254 1.731,1255 0.851,1256 1.712,1257 1.319,1258 1.246,1259 1.597,1260 1.645,1261 0.688,1262 1.596,1263 1.294,1264 1.226,1265 1.467,1266 1.492,1267 0.522,1268 1.537,1269 1.209,1270 1.133,1271 1.419,1272 1.426,1273 0.407,1274 1.404,1275 1.032,1276 0.945,1277 1.295,1278 1.284,1279 0.386,1280 1.312,1281 0.823,1282 0.739,1283 1.087,1284 1.068,1285 0.115,1286 1.083,1287 3.97,1289 5.303,1290 3.045,1291 6.815,1292 5.283,1293 8.408,1294 7.273,1295 10.043,1297 4.239,1303 0.729,1314 26.268,1315 56.722,1316 142.612,1317 175.858,1318 193.367,1319 201.367,1320 201.367,1321 24.274,1322 7.33,1323 59.39,1324 59.39,1325 22,1326 12.378,1327 4.459,1328 3.524,1329 32.053,1330 85,1331 76,1332 0.189,1333 161.484,1334 258.16,1335 385.781,1336 15272,1338 15.811,1339 0.687,1340 0.57,1341 15.811,1342 13.115,1343 11.187,1344 0.43,1345 0.292,1346 7.502,1347 10.821,1348 7.229,1349 6.06,1350 11.187,1351 7.587,1352 10.355,1353 0.28,1354 0.16,1355 10.355,1356 5.903,1357 8.824,1358 0.18,1359 0.084,1360 8.824,1361 4.105,1362 7.429,1363 0.116,1364 0.044,1365 7.429,1366 2.808,1367 5.553,1368 0.074,1369 0.024,1370 5.553,1371 1.78,1372 0.298,1373 69.595,1374 0.237,1375 22.74,1376 0.511,1377 126,1378 322.913,1379 134.687,1380 325.716,1381 461.89,1382 306,1383 149,1384 363.558,1385 159.463,1386 372.336,1387 534.71,1388 348,1389 5.1}
{0 CHEMBL1984541,1 1.669,2 6.611,3 3.405,4 11.596,5 78.272,6 8.744,7 0.3,8 3.571,9 3.662,10 3.338,11 3.272,12 4.638,13 3.191,14 4.111,15 4.257,16 3.823,17 3.729,18 5.107,19 3.624,20 4.424,21 4.57,22 3.958,23 3.912,24 5.461,25 3.764,26 4.583,27 4.854,28 3.703,29 3.769,30 5.507,31 3.577,32 4.128,33 4.298,34 3.569,35 3.478,36 5.272,37 3.343,38 3.972,39 4.174,40 3.133,41 3.337,42 4.895,43 3.143,44 3.799,45 4.006,46 2.844,47 3.084,48 4.75,49 2.893,50 3.634,51 3.912,52 2.856,53 2.783,54 4.63,55 2.547,56 0.02,57 0.411,58 5.765,59 3.129,60 5.892,61 3.841,62 0.029,63 0.721,64 12.527,65 5.894,66 10.316,67 7.316,68 0.144,69 0.997,70 20.845,71 8.129,72 22.561,73 9.415,74 0.29,75 1.149,76 36.357,77 11.652,78 36.083,79 13.648,80 0.272,81 0.713,82 17.224,83 5.367,84 35.723,85 5.522,86 0.081,87 0.606,88 18.17,89 6.462,90 13.46,91 7.281,92 0.088,93 0.448,94 12.086,95 4.4,96 16.785,97 5.64,98 0.136,99 0.372,100 12.263,101 4.093,102 21.131,103 5.383,104 17,105 31,106 0.316,107 0.67,108 0.767,109 0.819,110 0.819,111 0.819,112 2.963,113 1.067,114 -4.23,115 -4.17,116 -3.94,119 43.8,120 2,121 2,123 1,138 2,142 3,144 3,156 1,172 5,175 2,180 1,183 10,188 3,193 2,196 6,200 5,203 1,205 3,208 2,218 1,221 6,230 2,233 7,246 4,255 1,258 5,276 268,277 11.55,278 11.55,279 11.55,280 11.55,281 11.55,282 10.267,283 14.204,284 6.456,285 11.928,286 9.892,287 9.892,288 9.892,289 9.892,290 9.892,291 7.959,292 16.519,293 3.116,294 10.628,295 3.331,296 1.46,297 0.946,298 0.672,299 0.672,300 0.672,301 3.633,302 1,304 1,305 1,306 1,307 256,308 2.449,312 95.073,316 103.922,319 1.099,320 16.064,322 1,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 37.833,332 119,333 4.557,334 4.63,335 6.87,336 4.315,337 3.337,338 4.085,339 2.95,340 11.513,341 3.277,342 4.222,343 3.496,344 6.398,345 3.913,346 2.973,347 3.673,348 0.986,349 9.898,350 2.768,351 3.908,352 3.137,353 6.02,354 3.533,355 2.587,356 3.033,357 0.765,358 8.547,359 2.43,360 3.481,361 2.891,362 5.14,363 2.985,364 2.098,365 2.77,367 5.994,368 1.869,369 3.343,370 2.702,371 4.956,372 2.878,373 1.963,374 2.53,376 5.789,377 1.684,378 2.809,379 2.303,380 4.438,381 2.446,382 1.508,383 1.896,385 4.268,386 1.404,387 2.071,388 1.617,389 3.623,390 1.705,391 0.826,392 0.981,394 2.181,395 0.702,396 1.265,397 1.016,398 3.285,399 0.979,400 0.057,401 0.063,403 0.153,404 0.048,405 1.114,406 0.368,407 2.921,408 0.707,409 -0.177,410 -0.218,412 -0.506,413 -0.141,414 0.68,415 0.061,416 2.671,417 0.446,418 -0.466,419 -0.486,421 -1.277,422 -0.409,423 0.569,424 -0.012,425 2.346,426 0.23,427 -0.719,428 -0.814,430 -2.239,431 -0.604,432 0.375,433 -0.316,434 2.329,436 -0.871,437 -1,439 -2.442,440 -0.711,441 0.026,442 -0.714,443 2,444 -0.039,445 -1,446 -1.08,448 -3,449 -1,451 -1,452 1.847,453 -0.289,454 -1.193,455 -1.574,457 -3.569,458 -1.065,459 -0.099,460 -1.175,461 1.631,462 -0.603,463 -1.455,464 -1.629,466 -4.422,467 -1.323,468 9.281,469 0.516,470 0.728,471 0.04,472 21,473 1.167,474 10,475 0.556,476 11,477 0.611,478 17.44,479 0.969,480 18.919,481 0.591,482 11.277,483 0.626,484 3.496,485 0.194,486 4.948,487 0.275,488 0.221,489 0.054,490 0.323,496 0.77,497 0.963,498 0.623,499 0.753,500 0.884,501 0.8,502 0.556,503 0.946,504 0.589,505 0.726,506 0.487,507 0.719,508 1.015,509 1.318,510 1.047,511 1.211,512 1.059,513 1.208,514 0.62,515 0.916,516 0.878,517 0.986,518 0.58,519 0.774,520 2.155,521 0.803,522 0.854,523 0.706,524 2.381,525 0.979,526 0.783,527 1.205,528 1.234,529 1.403,530 0.762,531 1.188,532 1.158,533 1.119,534 1.073,535 1.067,536 1.287,537 1.311,538 0.439,539 0.903,540 0.738,541 0.801,542 0.381,543 0.944,544 6,546 2.444,547 1.75,548 1.773,549 0.59,550 0.423,551 0.262,552 0.061,554 2492,555 7169,556 2.04,557 43.8,558 6,559 3,562 1,563 2,564 2,567 1.591,568 1.846,569 2.752,570 -0.28,572 1,574 1,577 53.394,578 1.669,579 3.54,580 4.054,581 4.328,582 4.328,583 4.328,584 2.155,585 3.392,586 4.146,587 2.841,588 434.658,589 7.054,590 3929.07,591 1,592 1,593 1,594 1,595 160,596 1.772,597 4.059,598 0.3,600 0.079,601 0.058,602 0.071,603 0.033,604 0.03,605 0.029,606 0.01,608 0.61,609 0.83,610 1,611 0.714,612 73.96,613 -0.071,614 0.053,615 0.025,616 0.099,617 -0.124,618 0.069,619 0.056,620 0.068,621 0.171,622 0.191,623 0.112,624 0.209,625 -0.095,626 -0.279,627 -0.131,628 -0.239,629 -0.153,630 -0.299,631 0.221,632 0.081,633 0.134,634 0.097,635 0.254,636 0.27,637 -0.48,638 0.276,639 -0.069,640 0.155,641 -0.499,642 -0.144,643 -0.027,644 -0.242,645 -0.199,646 -0.281,647 0.047,648 -0.166,649 -0.147,650 -0.288,651 -0.194,652 -0.254,653 -0.232,654 -0.355,655 0.443,656 -0.094,657 0.311,658 0.089,659 0.419,660 0.108,661 1.199,662 4.172,663 0.778,664 9.654,665 1,666 1.109,667 2.996,668 8.977,669 0.728,670 3.045,671 3.466,672 3.689,673 4.025,674 4.317,675 4.431,676 4.489,677 4.673,678 4.644,679 4.533,680 4.117,681 0.67,682 279.81,683 3.045,684 4.635,685 5.493,686 6.422,687 7.3,688 8.229,689 9.116,690 10.044,691 10.936,692 11.862,693 3.1,702 1,709 3,714 3,716 6,734 1,735 32,737 8,738 1,739 20,741 34,742 14,743 6,744 3,745 3,746 3,748 3,749 6,750 1,754 2,755 1,756 1,757 2,760 2,762 9,763 5,767 2,775 1,776 3,779 1,780 1,783 14,784 2,785 1,786 4,787 2,792 1,797 0.333,798 1,816 3,820 2,826 1,834 2,841 1,843 1,844 1,845 1,847 2,848 1,851 18,857 1,858 2,862 1,865 1,873 1,874 3.1,876 1,881 9.75,882 6.46,883 3.667,884 1.901,886 2.059,887 1.305,888 0.95,889 2.811,890 8.813,891 3.258,892 3.902,893 4.398,894 4.983,895 5.539,896 5.846,897 6.178,898 6.582,899 6.828,900 6.881,901 1,902 30,903 6.665,905 2.916,906 7.677,907 12.928,909 11.218,911 2.177,912 39.194,913 0.002,916 153.024,917 95.483,918 16.786,919 39.149,920 42.683,922 32.22,923 63.264,924 234.856,925 16.786,926 17.65,927 5.069,928 28.429,929 46.991,930 24.594,932 185.244,933 39.149,934 153.024,935 80.049,936 42.683,937 71.368,939 129.482,940 66.226,943 39.505,944 38.994,945 40.699,946 32.22,947 153.024,948 59.469,949 134.632,952 153.024,953 49.404,954 46.079,956 98.618,957 153.024,958 59.469,959 134.632,961 0.613,962 0.335,963 0.185,964 0.11,965 18,966 8,969 2,970 1.286,971 2.91,972 138.692,973 0.286,974 14,975 73.059,977 1,981 12.277,982 4.121,983 2.26,985 59.469,986 5.702,991 2.673,993 42.683,994 347.125,995 25,1003 4.668,1004 2.392,1007 32.014,1008 35.478,1009 0.334,1010 0.708,1011 0.811,1012 0.866,1013 0.866,1014 0.866,1015 4.57,1016 0.057,1017 5.572,1018 2.181,1019 4.143,1020 4.585,1021 3.069,1022 6.469,1023 4.011,1024 5.838,1025 -0.177,1026 7.192,1027 0.153,1028 4.111,1029 4.62,1031 7.695,1032 3.94,1033 7.201,1034 -0.466,1035 8.912,1036 -0.506,1037 5.894,1038 6.785,1039 5.044,1040 10.691,1041 5.686,1042 8.587,1043 -0.719,1044 10.687,1045 -1.277,1046 6.553,1047 7.481,1049 12.624,1050 6.326,1051 9.996,1052 -0.871,1053 12.496,1054 -2.239,1055 7.935,1056 9.23,1057 7.186,1058 15.228,1059 7.682,1060 11.419,1061 -1,1062 14.326,1063 -2.442,1064 8.887,1065 10.245,1067 17.443,1068 8.622,1069 12.855,1070 -1.193,1071 16.172,1072 -3,1073 10.131,1074 11.813,1075 9.348,1076 19.921,1077 9.847,1078 3.337,1079 -1.455,1080 18.029,1081 -3.569,1082 11.212,1083 12.998,1085 22.254,1086 10.917,1087 2.973,1088 11.513,1089 19.895,1090 -4.422,1091 12.409,1092 14.478,1093 11.511,1094 24.691,1095 12.099,1096 2.587,1097 9.898,1098 21.769,1099 4.085,1100 13.547,1101 15.757,1103 27.075,1104 13.226,1105 2.098,1106 8.547,1107 23.649,1108 3.673,1109 14.732,1110 17.193,1111 13.675,1112 29.503,1113 14.398,1114 1.963,1115 5.994,1116 25.534,1117 3.033,1118 15.897,1119 18.524,1121 31.911,1122 15.551,1123 1.508,1124 5.789,1125 27.422,1126 2.77,1127 17.08,1128 19.938,1129 15.838,1130 34.339,1131 16.723,1132 0.826,1133 4.268,1134 29.315,1135 2.53,1136 18.258,1137 21.298,1139 36.76,1140 17.889,1141 2485,1142 4325,1143 12.83,1144 23.296,1145 31.31,1146 34.798,1147 31.861,1148 30.787,1149 30.698,1150 38.062,1151 9.401,1152 96.687,1153 28.365,1154 5.499,1155 6.63,1156 6.171,1157 5.483,1158 5.337,1159 7.085,1160 5.9,1161 18.841,1162 5.277,1163 9.715,1164 1.565,1165 1.74,1166 1.593,1167 1.539,1168 1.535,1169 1.903,1170 0.47,1171 4.834,1172 1.418,1173 4.014,1174 4.036,1175 4.165,1176 3.977,1177 6.466,1178 3.951,1179 3.797,1180 3.829,1181 3.848,1182 3.732,1183 4.968,1184 3.721,1185 3.366,1186 3.408,1187 3.563,1188 3.293,1189 4.619,1190 3.251,1191 3.135,1192 3.187,1193 3.163,1194 2.95,1195 4.243,1196 2.958,1197 2.876,1198 3.009,1199 3.053,1200 2.838,1201 4.048,1202 2.786,1203 2.874,1204 2.907,1205 2.779,1206 2.637,1207 3.666,1208 2.611,1209 2.765,1210 2.842,1211 2.597,1212 2.618,1213 3.467,1214 2.57,1215 2.516,1216 2.598,1217 2.499,1218 2.33,1219 3.385,1220 2.273,1221 0.228,1222 0.231,1223 0.343,1224 0.216,1225 0.167,1226 4.557,1227 0.204,1228 4.63,1229 0.148,1230 6.87,1231 0.576,1232 4.315,1233 0.164,1234 3.337,1235 4.085,1236 2.95,1237 11.513,1238 3.277,1239 1.968,1240 1.95,1241 2.069,1242 2.053,1243 1.395,1244 2.069,1245 1.801,1246 1.771,1247 1.908,1248 1.888,1249 1.077,1250 1.91,1251 1.346,1252 1.31,1253 1.539,1254 1.509,1255 0.689,1256 1.53,1257 1.085,1258 1.028,1259 1.417,1260 1.318,1261 0.582,1262 1.324,1263 0.934,1264 0.828,1265 1.346,1266 1.239,1267 0.469,1268 1.308,1269 0.86,1270 0.804,1271 1.118,1272 1.017,1273 0.239,1274 1.058,1275 0.786,1276 0.72,1277 0.973,1278 0.951,1279 0.182,1280 1.01,1281 0.5,1282 0.425,1283 0.776,1284 0.816,1286 0.819,1287 3.714,1289 5.106,1291 6.688,1293 8.365,1295 10.091,1297 4.307,1298 5.997,1302 10.172,1303 1.614,1307 1.599,1310 0.072,1314 21.438,1315 53.394,1316 113.271,1317 129.735,1318 138.49,1319 138.49,1320 138.49,1321 27.642,1322 6.755,1323 33.12,1324 61.36,1325 18,1326 12.373,1327 3.17,1328 2.585,1329 25.62,1330 47,1331 40,1332 0.301,1333 138.5,1334 243.09,1335 329.701,1336 6370,1337 3.1,1338 12.914,1339 0.717,1340 0.661,1341 13.767,1342 11.899,1343 8.444,1344 0.422,1345 0.356,1346 5.992,1347 7.572,1348 5.613,1349 4.664,1350 9.141,1351 7.115,1352 8.883,1353 0.287,1354 0.228,1355 9.907,1356 7.055,1357 6.608,1358 0.169,1359 0.12,1360 7.794,1361 4.68,1362 6.014,1363 0.109,1364 0.065,1365 7.077,1366 3.581,1367 4.917,1368 0.066,1369 0.042,1370 6.371,1371 3.082,1372 0.443,1373 58.909,1374 0.279,1375 17.424,1376 0.91,1377 102,1378 256.859,1379 147.3,1380 306.193,1381 410.78,1382 284,1383 121,1384 266.453,1385 161.249,1386 300.341,1387 441.91,1388 281,1389 5.1}
{0 CHEMBL1984548,1 1.786,2 9.542,3 2.528,4 6.391,5 91.924,6 9.048,7 0.654,8 3.776,9 3.909,10 3.493,11 3.271,12 5.036,13 3.292,14 4.219,15 4.385,16 3.86,17 3.621,18 5.523,19 3.626,20 4.394,21 4.576,22 3.905,23 3.683,24 5.657,25 3.665,26 4.4,27 4.606,28 3.781,29 3.64,30 5.634,31 3.598,32 4.379,33 4.599,34 3.806,35 3.602,36 5.63,37 3.58,38 4.303,39 4.496,40 3.833,41 3.628,42 5.553,43 3.576,44 4.265,45 4.463,46 3.821,47 3.506,48 5.618,49 3.471,50 4.121,51 4.326,52 3.444,53 3.316,54 5.407,55 3.231,56 0.14,57 0.638,58 5.505,59 2.571,60 9.982,61 3.054,62 0.311,63 0.923,64 10.644,65 4.272,66 26.692,67 5.336,68 0.462,69 0.984,70 16.163,71 4.939,72 37.268,73 6.111,74 0.417,75 0.957,76 16.613,77 5.616,78 33.771,79 7.275,80 0.523,81 0.916,82 17.116,83 4.842,84 48.69,85 6.056,86 0.355,87 0.837,88 17.475,89 5.665,90 38.194,91 7.226,92 0.483,93 0.771,94 17.911,95 4.478,96 43.948,97 5.391,98 0.481,99 0.626,100 18.853,101 4.464,102 43.177,103 5.667,104 18,105 36,106 0.317,107 0.706,108 0.835,109 0.891,110 0.901,111 0.901,112 3.228,113 0.848,114 -3.23,115 -3.22,116 -3.09,119 39.5,124 1,142 4,143 1,144 3,145 2,147 1,150 1,151 1,158 1,163 1,164 1,165 1,166 1,172 4,174 1,175 1,177 1,178 4,180 3,183 4,185 1,188 3,191 2,193 4,196 2,198 1,200 4,203 2,204 2,205 3,207 1,210 2,212 4,213 3,218 2,221 2,223 1,224 1,225 3,227 1,228 1,230 2,233 2,238 3,241 2,243 3,246 1,248 1,249 1,250 3,252 1,253 2,254 1,255 1,257 1,264 4,276 840,277 15.947,278 15.947,279 15.947,280 15.947,281 15.947,282 13.629,283 24.894,284 9.418,285 16.356,286 12.839,287 12.839,288 12.839,289 12.839,290 12.839,291 9.434,292 43.627,293 4.495,294 13.617,295 3.462,296 1.274,297 0.546,298 0.23,299 0.178,300 0.178,301 3.906,302 1,304 1,305 1,306 1,307 485,308 2.915,311 68.196,312 159.812,319 1.58,320 24.852,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 52.833,332 229,333 4.367,334 3.54,335 6.431,336 3.989,337 3.019,338 3.995,339 0.98,340 9.88,341 2.954,342 4.214,343 3.209,344 6.067,345 3.772,346 2.837,347 3.845,348 0.4,349 8.776,350 2.626,351 4.071,352 2.864,353 5.632,354 3.617,355 2.677,356 3.691,357 0.4,358 7.79,359 2.48,360 3.532,361 2.64,362 5.16,363 3.12,364 2.208,365 2.842,367 6.38,368 2.022,369 3.352,370 2.423,371 4.898,372 2.934,373 1.949,374 2.584,376 5.271,377 1.882,378 3.035,379 1.902,380 4.542,381 2.621,382 1.681,383 2.212,385 4.688,386 1.577,387 2.961,388 1.793,389 4.179,390 2.499,391 1.554,392 2.138,394 3.779,395 1.444,396 2.755,397 1.384,398 3.712,399 2.243,400 1.303,401 1.865,403 3.063,404 1.198,405 2.532,406 1.297,407 3.466,408 2.016,409 1,410 1.475,412 2.304,413 1.01,414 2.209,415 0.813,416 3.274,417 1.661,418 0.735,419 1.073,421 1.742,422 0.678,423 1.608,424 0.698,425 2.987,426 1.185,427 0.334,428 0.41,430 0.796,431 0.256,432 1.276,433 0.293,434 2.896,435 0.925,441 0.877,442 0.073,443 2.282,444 0.475,445 -0.422,446 -0.508,448 -1.068,449 -0.34,450 0.677,451 -0.114,452 2.141,453 0.23,454 -0.701,455 -0.88,457 -1.791,458 -0.64,459 0.608,460 -0.553,461 2,462 0.129,463 -0.849,464 -1.046,466 -2,467 -0.748,468 11.348,469 0.473,470 0.647,471 0.027,472 35,473 1.458,474 18.5,475 0.771,476 16.5,477 0.688,478 15.514,479 0.646,480 25.252,481 0.665,482 25.391,483 1.058,484 7.147,485 0.298,486 4.378,487 0.182,488 0.172,490 0.344,496 0.856,497 1.364,498 0.592,499 0.893,500 0.755,501 0.797,502 0.73,503 1.108,504 0.637,505 0.848,506 0.498,507 0.812,508 1.039,509 1.154,510 0.993,511 1.114,512 1.035,513 1.07,514 0.904,515 1.133,516 0.887,517 1.073,518 0.908,519 1.06,520 1.221,521 0.722,522 0.863,523 0.65,524 1.321,525 0.753,526 0.932,527 1.165,528 1.087,529 1.053,530 0.868,531 0.96,532 1.244,533 0.995,534 1.369,535 1.049,536 0.966,537 1.004,538 1.084,539 0.871,540 1.778,541 1.362,542 1.1,543 1.298,544 5.5,545 0.098,546 2.444,547 1.882,548 1.076,549 0.806,550 0.544,551 0.361,552 0.224,553 0.109,554 6207,555 21081,556 2.04,557 36.8,559 7,560 1,561 2,562 4,567 1.671,568 1.895,569 3.252,570 1.901,571 1,572 1,574 1,577 67.863,578 1.786,579 3.974,580 4.702,581 5.018,582 5.07,583 5.07,584 2.705,585 4.335,586 4.558,587 3.412,588 941.627,589 7.873,590 11148.6,591 1,592 1,594 1,595 199.421,596 1.459,597 4.507,598 0.212,599 0.007,600 0.068,601 0.055,602 0.035,603 0.026,604 0.018,605 0.013,606 0.012,607 0.007,608 0.452,609 0.17,610 1,611 0.813,612 114.045,613 -0.129,614 -0.148,615 -0.001,616 -0.001,617 -0.166,618 0.028,619 0.089,620 0.029,621 0.076,622 0.06,623 0.164,624 0.059,625 -0.055,626 -0.098,627 -0.087,628 -0.179,629 -0.114,630 -0.172,631 0.018,632 -0.142,633 -0.016,634 -0.117,635 0.024,636 -0.098,637 -0.146,638 0.282,639 0.042,640 0.266,641 -0.187,642 0.17,643 0.012,644 -0.213,645 0.076,646 0.004,647 0.047,648 0.058,649 -0.089,650 -0.005,651 -0.067,652 -0.061,653 0.05,654 -0.077,655 0.078,656 0.045,657 -0.35,658 -0.304,659 -0.008,660 -0.298,661 2.211,662 4.502,663 0.708,664 19.667,665 1.024,666 1.14,667 2.003,668 4.014,669 0.695,670 3.296,671 3.611,672 3.829,673 4.06,674 4.205,675 4.205,676 4.304,677 4.357,678 4.431,679 4.477,680 5.879,681 0.679,682 343.81,683 3.296,684 4.828,685 5.659,686 6.526,687 7.375,688 8.243,689 9.097,690 9.965,691 10.822,692 11.69,693 18.4,700 1,701 3,703 3,709 7,710 3,714 6,715 1,716 17,722 1,728 2,734 1,735 38,737 18,738 1,739 26,741 40,742 15,743 13,744 2,745 4,746 1,748 3,749 3,750 1,762 14,763 1,767 1,772 1,776 1,779 1,780 1,783 14,784 7,785 4,786 9,787 1,792 7,797 1,798 1,807 1,810 1,815 1,816 2,843 3,847 1,848 1,851 24,852 1,860 2,873 1,874 2.6,877 1,881 12.667,882 7.026,883 5.25,884 1.938,886 3.179,887 1.459,888 0.998,889 4.758,890 10.098,891 3.597,892 4.208,893 4.735,894 5.277,895 5.686,896 5.818,897 6.185,898 6.544,899 6.906,900 7.235,901 1,902 34,903 8.76,905 3.669,906 7.949,907 16.154,909 12.627,911 2.449,912 58.778,916 117.711,917 94.575,918 120.929,919 39.149,920 25.145,923 94.575,924 182.005,925 120.929,926 8.396,927 32.897,928 46.952,929 103.626,930 68.093,931 15.998,932 82.398,933 39.149,934 117.711,935 215.504,936 25.145,937 39.149,939 117.711,940 25.145,943 90.689,944 74.581,945 89.383,947 117.711,948 146.074,949 133.724,952 117.711,953 21.131,954 75.22,955 36.022,956 147.425,957 117.711,958 146.074,959 133.724,961 0.583,962 0.331,963 0.176,964 0.092,965 17,966 8,967 0.125,968 5,970 1,971 3.6,972 190.212,974 17,975 110.039,981 16.392,982 6.967,983 3.908,985 144.298,986 11.728,987 12.495,991 2.597,992 1.653,993 68.919,994 397.509,995 35.5,1000 11.502,1004 -0.544,1007 38.898,1008 43.302,1009 0.34,1010 0.757,1011 0.896,1012 0.956,1013 0.966,1014 0.966,1015 4.814,1016 1.303,1017 5.645,1018 3.779,1019 4.29,1020 4.894,1021 1.27,1022 6.422,1023 4.177,1024 6.032,1025 1,1026 7.186,1027 3.063,1028 3.892,1029 4.677,1031 7.239,1032 3.708,1033 7.334,1034 0.735,1035 8.822,1036 2.304,1037 5.855,1038 7.071,1039 1.08,1040 10.3,1041 5.64,1042 8.67,1043 0.334,1044 10.513,1045 1.742,1046 6.236,1047 7.633,1049 11.925,1050 5.961,1051 10.032,1053 12.238,1054 0.796,1055 7.687,1056 9.5,1057 1.025,1058 14.488,1059 7.383,1060 11.414,1061 -0.422,1062 13.988,1064 8.429,1065 10.436,1067 16.461,1068 8.08,1069 12.811,1070 -0.701,1071 15.756,1072 -1.068,1073 9.666,1074 12.063,1075 0.994,1076 18.839,1077 9.287,1078 3.019,1079 -0.849,1080 17.538,1081 -1.791,1082 10.582,1083 13.192,1085 20.97,1086 10.169,1087 2.837,1088 9.88,1089 19.33,1090 -2,1091 11.725,1092 14.697,1093 0.967,1094 23.278,1095 11.285,1096 2.677,1097 8.776,1098 21.132,1099 3.995,1100 12.725,1101 15.929,1103 25.482,1104 12.258,1105 2.208,1106 7.79,1107 22.94,1108 3.845,1109 13.829,1110 17.371,1111 0.942,1112 27.764,1113 13.337,1114 1.949,1115 6.38,1116 24.754,1117 3.691,1118 14.87,1119 18.659,1121 30.003,1122 14.355,1123 1.681,1124 5.271,1125 26.573,1126 2.842,1127 15.958,1128 20.066,1129 0.917,1130 32.278,1131 15.422,1132 1.554,1133 4.688,1134 28.396,1135 2.584,1136 17.019,1137 21.387,1139 34.536,1140 16.464,1141 6081,1142 11348,1143 17.107,1144 26.398,1145 39.233,1146 39.837,1147 40.027,1148 38.667,1149 38.594,1150 52.259,1151 3.56,1152 108.938,1153 36.256,1154 5.174,1155 5.54,1156 6.113,1157 5.066,1158 5.019,1159 6.995,1160 1.96,1161 16.496,1162 4.954,1163 12.436,1164 1.509,1165 1.532,1166 1.54,1167 1.487,1168 1.484,1169 2.01,1170 0.137,1171 4.19,1172 1.394,1173 3.992,1174 4.044,1175 4.028,1176 3.878,1177 7.437,1178 3.885,1179 3.913,1180 3.961,1181 3.864,1182 3.733,1183 5.11,1184 3.762,1185 3.766,1186 3.813,1187 3.834,1188 3.607,1189 4.941,1190 3.627,1191 3.338,1192 3.391,1193 3.308,1194 3.08,1195 4.899,1196 3.117,1197 3.164,1198 3.258,1199 3.259,1200 2.923,1201 4.681,1202 2.931,1203 3.017,1204 3.105,1205 2.965,1206 2.813,1207 4.5,1208 2.819,1209 2.848,1210 2.924,1211 2.835,1212 2.658,1213 4.089,1214 2.658,1215 2.735,1216 2.825,1217 2.573,1218 2.515,1219 3.872,1220 2.527,1221 0.168,1222 0.136,1223 0.247,1224 0.153,1225 0.116,1226 4.367,1227 0.154,1228 3.54,1229 0.038,1230 6.431,1231 0.38,1232 3.989,1233 0.114,1234 3.019,1235 3.995,1236 0.98,1237 9.88,1238 2.954,1239 1.918,1240 1.892,1241 2.011,1242 2.035,1243 1.097,1244 2.025,1245 1.728,1246 1.686,1247 1.785,1248 1.911,1249 0.83,1250 1.886,1251 1.523,1252 1.461,1253 1.718,1254 1.804,1255 0.75,1256 1.781,1257 1.384,1258 1.306,1259 1.536,1260 1.588,1261 0.59,1262 1.578,1263 1.214,1264 1.171,1265 1.404,1266 1.535,1267 0.259,1268 1.501,1269 0.966,1270 0.895,1271 1.187,1272 1.228,1273 0.223,1274 1.218,1275 0.768,1276 0.697,1277 1.078,1278 1.066,1279 0.049,1280 1.088,1281 0.716,1282 0.623,1283 1.041,1284 0.977,1286 1.011,1287 3.97,1289 5.283,1290 2.398,1291 6.774,1292 4.595,1293 8.348,1294 6.529,1295 9.965,1297 1.807,1298 6.137,1301 5.374,1305 6.028,1314 25.799,1315 67.863,1316 151.015,1317 178.666,1318 190.666,1319 192.666,1320 192.666,1321 36.747,1322 6.919,1323 110.75,1324 110.75,1325 17,1326 12.237,1327 4.248,1328 3.392,1329 39.197,1330 83,1331 86,1332 0.228,1333 166.018,1334 275.52,1335 396.844,1336 8889,1337 2.6,1338 17.104,1339 0.713,1340 0.56,1341 17.604,1342 13.45,1343 11.525,1344 0.443,1345 0.283,1346 6.864,1347 10.702,1348 6.679,1349 5.576,1350 11.814,1351 7.346,1352 10.625,1353 0.295,1354 0.149,1355 10.995,1356 5.36,1357 8.371,1358 0.186,1359 0.076,1360 8.751,1361 3.427,1362 6.861,1363 0.12,1364 0.039,1365 7.081,1366 2.203,1367 5.249,1368 0.08,1369 0.021,1370 5.55,1371 1.366,1372 0.355,1373 76.021,1374 0.242,1375 23.383,1376 0.632,1377 124,1378 412.497,1379 154.334,1380 433.717,1381 580.64,1382 402,1383 143,1384 411.243,1385 170.668,1386 425.769,1387 614.57,1388 398,1389 8.4}
{0 CHEMBL1984586,1 1.606,2 11.815,3 2.904,4 8.435,5 103.173,6 8.169,7 0.733,8 3.913,9 4.029,10 3.555,11 3.462,12 5.138,13 3.472,14 4.368,15 4.51,16 3.914,17 3.838,18 5.604,19 3.824,20 4.559,21 4.727,22 3.934,23 3.934,24 5.71,25 3.903,26 4.65,27 4.848,28 3.89,29 3.901,30 5.838,31 3.852,32 4.649,33 4.874,34 3.735,35 3.776,36 5.817,37 3.722,38 4.449,39 4.669,40 3.547,41 3.601,42 5.636,43 3.559,44 4.25,45 4.474,46 3.4,47 3.546,48 5.292,49 3.464,50 4.198,51 4.408,52 3.345,53 3.496,54 5.262,55 3.4,56 0.077,57 0.681,58 7.505,59 3.433,60 9.968,61 4.06,62 0.31,63 1.036,64 13.276,65 5.897,66 25.356,67 7.339,68 0.208,69 1.219,70 17.073,71 6.989,72 26.764,73 8.729,74 0.353,75 1.271,76 20.588,77 7.769,78 36.273,79 10.096,80 0.398,81 1.181,82 23.284,83 7.895,84 51.013,85 10.112,86 0.428,87 0.995,88 18.956,89 5.786,90 58.422,91 7.088,92 0.236,93 0.851,94 14.478,95 5.438,96 26.64,97 7.366,98 0.175,99 0.792,100 13.311,101 5.808,102 18.439,103 7.717,104 10,105 42,106 0.273,107 0.627,108 0.76,109 0.845,110 0.871,111 0.871,112 3.34,113 0.833,114 -4.51,115 -4.43,116 -4.18,119 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 2,175 4,177 1,178 3,179 1,180 5,183 12,185 1,188 3,193 6,196 10,198 1,199 1,200 8,202 2,203 2,205 7,208 3,210 1,213 11,218 8,223 2,225 6,230 5,233 4,235 2,238 1,241 1,243 1,246 10,250 1,253 2,254 1,255 1,257 1,258 10,263 1,267 1,272 7,276 1022,277 18.361,278 18.361,279 18.361,280 18.361,281 18.361,282 15.54,283 15.479,284 10.813,285 18.609,286 14.809,287 14.809,288 14.809,289 14.809,290 14.809,291 10.663,292 20.04,293 5.125,294 15.197,295 3.853,296 1.772,297 0.989,298 0.489,299 0.335,300 0.335,301 4.038,304 1,305 1,306 1,307 701,308 3,311 62.352,312 261.15,315 117.366,319 1.923,320 23.633,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 58.5,332 319,333 4.666,334 3.568,335 6.884,336 4.216,337 3.229,338 4.626,339 1.656,340 11.489,341 3.187,342 4.192,343 3.244,344 6.054,345 3.819,346 2.842,347 3.79,348 0.247,349 8.709,350 2.775,351 4.054,352 2.895,353 5.856,354 3.633,355 2.654,356 3.669,358 8.059,359 2.597,360 3.725,361 2.651,362 5.445,363 3.362,364 2.388,365 3.071,367 7.2,368 2.319,369 3.433,370 2.324,371 5.034,372 2.994,373 2.017,374 2.809,376 5.678,377 1.969,378 3.395,379 2.058,380 4.814,381 2.929,382 1.969,383 2.654,385 5.412,386 1.877,387 2.99,388 1.669,389 4.415,390 2.471,391 1.518,392 2.213,394 4.075,395 1.445,396 2.874,397 1.539,398 4.079,399 2.414,400 1.414,401 2.037,403 3.544,404 1.414,405 2.804,406 1.472,407 3.81,408 2.36,409 1.371,410 1.912,412 2.958,413 1.351,414 2.553,415 1.088,416 3.595,417 2.03,418 1.064,419 1.577,421 2.685,422 1.025,423 2.5,424 1,425 3.414,426 2,427 1,428 1.5,430 2.275,431 1,432 2.187,433 0.808,434 3.313,435 1.714,436 0.744,437 1.053,439 1.81,440 0.72,441 1.423,442 0.654,443 2.951,444 1.147,445 0.188,446 0.223,448 0.463,449 0.18,450 1.296,451 0.397,452 2.512,453 0.908,454 -0.086,455 -0.11,457 -0.202,458 -0.085,459 1.042,460 -0.076,461 2.365,462 0.594,463 -0.327,464 -0.425,466 -0.755,467 -0.301,468 12.667,469 0.469,470 0.644,471 0.024,472 41,473 1.519,474 23,475 0.852,476 18,477 0.667,478 17.009,479 0.63,480 27.533,481 0.626,482 29.745,483 1.102,484 8.314,485 0.308,486 4.801,487 0.178,488 0.097,490 0.355,496 0.911,497 1.168,498 0.731,499 0.918,500 0.769,501 0.801,502 0.587,503 0.906,504 0.742,505 0.916,506 0.527,507 0.876,508 0.989,509 1.244,510 0.981,511 1.133,512 0.972,513 1.066,514 0.916,515 1.13,516 1.017,517 1.159,518 0.827,519 1.114,520 1.398,521 1.043,522 1.05,523 1.002,524 1.409,525 0.978,526 1.749,527 0.883,528 1.223,529 0.779,530 2.117,531 0.881,532 0.712,533 0.908,534 0.992,535 0.952,536 0.836,537 1.001,538 0.522,539 0.968,540 0.954,541 1.225,542 0.617,543 1.196,544 5,545 0.095,546 3.111,547 1.938,548 1.628,549 0.611,550 0.488,551 0.305,552 0.156,553 0.213,554 9949,555 28188,556 2.12,557 38.6,558 3,559 8,560 1,561 1,562 4,567 1.695,568 2,569 3.494,570 1.698,571 1,572 1,577 70.68,578 1.606,579 3.687,580 4.471,581 4.971,582 5.124,583 5.124,584 2.898,585 4.533,586 4.729,587 3.695,588 1297.01,589 8.174,590 17197,592 1,594 1,595 240.215,596 1.352,597 4.694,598 0.167,599 0.005,600 0.074,601 0.046,602 0.043,603 0.019,604 0.018,605 0.013,606 0.007,607 0.011,608 0.403,609 0.17,610 1,611 0.528,612 135.831,613 -0.128,614 -0.04,615 0.021,616 0.031,617 -0.146,618 0.057,619 0.282,620 0.165,621 0.083,622 0.052,623 0.145,624 0.025,625 -0.126,626 -0.211,627 -0.107,628 -0.166,629 -0.11,630 -0.138,631 0.055,632 -0.139,633 -0.061,634 -0.192,635 0.075,636 -0.155,637 -0.172,638 -0.128,639 0.01,640 -0.018,641 -0.04,642 0.021,643 -0.389,644 0.096,645 -0.172,646 0.161,647 -0.367,648 0.06,649 0.004,650 0.068,651 -0.03,652 0.043,653 -0.085,654 0.012,655 0.177,656 -0.048,657 -0.003,658 -0.189,659 0.08,660 -0.152,661 1.969,662 5.197,663 0.778,664 25.624,665 1.011,666 1.123,667 3.278,668 10.745,669 0.693,670 3.434,671 3.761,672 4.043,673 4.317,674 4.5,675 4.5,676 4.615,677 4.754,678 4.771,679 4.836,680 7.044,681 0.675,682 359.42,683 3.434,684 4.977,685 5.832,686 6.713,687 7.583,688 8.468,689 9.345,690 10.233,691 11.115,692 12.004,693 11.4,697 1,700 2,703 2,708 2,709 10,710 2,712 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 1,779 1,780 1,782 1,783 17,784 7,785 4,786 7,792 5,797 0.75,798 2,810 1,815 1,816 3,819 1,843 3,847 1,851 27,852 1,860 2,874 4.5,877 1,879 1,881 13.5,882 8.15,883 5.889,884 2.407,886 4.136,887 1.545,888 1.033,889 4.587,890 11.725,891 3.761,892 4.41,893 5.03,894 5.661,895 6.186,896 6.447,897 6.873,898 7.334,899 7.57,900 7.904,901 0.875,902 42,903 9.899,905 4.217,906 7.815,907 18.582,909 15.024,911 2.315,912 62.5,915 1,916 153.024,917 133.648,918 102.49,920 34.652,923 133.648,924 187.677,925 102.49,926 8.825,927 36.022,928 120.447,929 74.894,930 35.769,931 18.375,932 129.482,934 153.024,935 236.137,936 34.652,939 153.024,940 34.652,943 57.873,944 144.694,945 33.571,947 153.024,948 137.142,949 133.648,952 153.024,953 28.654,954 104.993,955 36.022,956 101.121,957 153.024,958 137.142,959 133.648,961 0.583,962 0.344,963 0.191,964 0.1,965 21,966 9,967 0.064,968 3,969 1,970 1.095,971 3.978,972 228.85,973 0.095,974 21,975 122.382,981 17.218,982 7.193,983 3.535,984 1.118,985 137.142,986 17.936,987 8.08,989 5.446,991 4.492,993 68.919,994 423.814,995 42,1000 12.197,1004 -0.302,1007 44.465,1008 49.402,1009 0.294,1010 0.675,1011 0.819,1012 0.91,1013 0.939,1014 0.939,1015 4.98,1016 1.414,1017 5.814,1018 4.075,1019 4.443,1020 5.097,1021 1.758,1022 6.627,1023 4.395,1024 6.205,1025 1.371,1026 7.372,1027 3.544,1028 4.007,1029 4.902,1030 1.195,1031 7.538,1032 3.949,1033 7.519,1034 1.064,1035 9.032,1036 2.958,1037 6.033,1038 7.358,1039 2.415,1040 10.658,1041 5.944,1042 8.871,1043 1,1044 10.753,1045 2.685,1046 6.431,1047 8.022,1048 2.324,1049 12.453,1050 6.337,1051 10.255,1052 0.744,1053 12.515,1054 2.275,1055 7.919,1056 9.932,1057 3.244,1058 15.094,1059 7.799,1060 11.665,1061 0.188,1062 14.307,1063 1.81,1064 8.71,1065 11.023,1066 3.407,1067 17.262,1068 8.585,1069 13.094,1070 -0.086,1071 16.122,1072 0.463,1073 9.982,1074 12.701,1075 4.156,1076 19.754,1077 9.837,1078 3.229,1079 -0.327,1080 17.955,1081 -0.202,1082 10.961,1083 14.011,1084 4.464,1085 22.079,1086 10.808,1087 2.842,1088 11.489,1089 19.803,1090 -0.755,1091 12.148,1092 15.591,1093 5.111,1094 24.527,1095 11.98,1096 2.654,1097 8.709,1098 21.662,1099 4.626,1100 13.217,1101 17.01,1102 5.504,1103 26.917,1104 13.04,1105 2.388,1106 8.059,1107 23.531,1108 3.79,1109 14.375,1110 18.55,1111 6.091,1112 29.355,1113 14.184,1114 2.017,1115 7.2,1116 25.409,1117 3.669,1118 15.487,1119 20.023,1120 6.531,1121 31.773,1122 15.286,1123 1.969,1124 5.678,1125 27.294,1126 3.071,1127 16.638,1128 21.551,1129 7.083,1130 34.21,1131 16.425,1132 1.518,1133 5.412,1134 29.185,1135 2.809,1136 17.773,1137 23.051,1138 7.551,1139 36.641,1140 17.549,1141 9330,1142 15870,1143 20.285,1144 30.506,1145 45.189,1146 45.994,1147 46.529,1148 44.788,1149 44.797,1150 62.268,1151 3.806,1152 128.713,1153 43.716,1154 5.535,1155 5.568,1156 6.572,1157 5.287,1158 5.229,1159 7.626,1160 2.912,1161 18.662,1162 5.187,1163 11.659,1164 1.506,1165 1.533,1166 1.551,1167 1.493,1168 1.493,1169 2.076,1170 0.127,1171 4.29,1172 1.457,1173 4.11,1174 4.127,1175 4.088,1176 3.998,1177 7.431,1178 4.015,1179 3.935,1180 3.97,1181 3.877,1182 3.857,1183 5.309,1184 3.855,1185 3.833,1186 3.867,1187 3.779,1188 3.722,1189 4.955,1190 3.735,1191 3.428,1192 3.476,1193 3.377,1194 3.162,1195 4.767,1196 3.209,1197 3.282,1198 3.331,1199 3.216,1200 3.036,1201 4.714,1202 3.066,1203 3.169,1204 3.257,1205 2.965,1206 3.008,1207 4.487,1208 2.995,1209 3.007,1210 3.11,1211 2.909,1212 2.735,1213 4.018,1214 2.76,1215 2.869,1216 2.944,1217 2.746,1218 2.73,1219 3.895,1220 2.715,1221 0.156,1222 0.119,1223 0.229,1224 0.141,1225 0.108,1226 4.666,1227 0.154,1228 3.568,1229 0.055,1230 6.884,1231 0.383,1232 4.216,1233 0.106,1234 3.229,1235 4.626,1236 1.656,1237 11.489,1238 3.187,1239 1.948,1240 1.925,1241 2.042,1242 2.045,1243 1.157,1244 2.042,1245 1.911,1246 1.882,1247 2.021,1248 2.004,1249 1.134,1250 2.009,1251 1.742,1252 1.707,1253 1.8,1254 1.929,1255 0.854,1256 1.898,1257 1.36,1258 1.336,1259 1.553,1260 1.628,1261 0.604,1262 1.58,1263 1.213,1264 1.165,1265 1.471,1266 1.493,1267 0.433,1268 1.47,1269 1.192,1270 1.123,1271 1.346,1272 1.418,1273 0.292,1274 1.449,1275 0.886,1276 0.821,1277 1.181,1278 1.233,1279 0.218,1280 1.226,1281 0.882,1282 0.82,1283 1.163,1284 1.094,1285 0.128,1286 1.107,1287 4.111,1289 5.434,1290 2.398,1291 6.952,1292 4.727,1293 8.559,1294 6.862,1295 10.211,1297 1.94,1301 5.944,1305 5.65,1314 29.697,1315 70.68,1316 162.241,1317 196.705,1318 218.705,1319 225.46,1320 225.46,1321 38.208,1322 7.589,1323 106.07,1324 106.07,1325 23,1326 12.535,1327 4.585,1328 3.7,1329 40.532,1330 118,1331 97,1332 0.171,1333 182.806,1334 305.06,1335 437.807,1336 22050,1338 18.803,1339 0.696,1340 0.539,1341 18.803,1342 14.562,1343 13.114,1344 0.437,1345 0.278,1346 8.214,1347 12.624,1348 8.019,1349 6.691,1350 13.114,1351 8.334,1352 11.866,1353 0.283,1354 0.144,1355 11.866,1356 6.06,1357 10.028,1358 0.179,1359 0.076,1360 10.028,1361 4.247,1362 8.586,1363 0.116,1364 0.038,1365 8.586,1366 2.842,1367 6.794,1368 0.076,1369 0.02,1370 6.794,1371 1.801,1372 0.274,1373 82.184,1374 0.222,1375 26.306,1376 0.45,1377 144,1378 434.739,1379 158.721,1380 425.736,1381 589.04,1382 398,1383 170,1384 445.282,1385 183.974,1386 452.752,1387 659.67,1388 425,1389 5.7}
{0 CHEMBL1984633,1 1.667,2 10.792,3 2.504,4 6.271,5 94.516,6 8.279,7 0.654,8 3.812,9 3.914,10 3.52,11 3.426,12 4.982,13 3.384,14 4.294,15 4.444,16 3.881,17 3.778,18 5.427,19 3.714,20 4.451,21 4.621,22 3.898,23 3.849,24 5.548,25 3.765,26 4.518,27 4.705,28 3.813,29 3.845,30 5.654,31 3.731,32 4.53,33 4.747,34 3.729,35 3.792,36 5.587,37 3.662,38 4.389,39 4.581,40 3.594,41 3.657,42 5.513,43 3.545,44 4.314,45 4.538,46 3.491,47 3.512,48 5.492,49 3.404,50 4.153,51 4.383,52 3.392,53 3.384,54 5.262,55 3.282,56 0.027,57 0.586,58 7.464,59 3.782,60 6.74,61 4.418,62 0.206,63 0.935,64 15.321,65 6.141,66 21.3,67 7.177,68 0.206,69 1.069,70 19.876,71 7.564,72 25.363,73 8.847,74 0.266,75 1.13,76 22.544,77 8.559,78 36.779,79 9.922,80 0.338,81 1.107,82 25.172,83 8.903,84 40.452,85 10.601,86 0.227,87 0.949,88 20.695,89 7.627,90 31.994,91 8.63,92 0.343,93 0.889,94 19.757,95 6.578,96 44.521,97 7.744,98 0.279,99 0.746,100 17.044,101 5.838,102 36.239,103 7.073,104 11,105 35,106 0.292,107 0.637,108 0.793,109 0.863,110 0.863,111 0.863,112 3.228,113 0.957,114 -2.88,115 -2.89,116 -2.8,119 43.9,120 1,124 1,127 1,142 6,143 2,144 1,145 3,152 1,158 1,161 1,172 6,175 6,178 1,180 2,183 7,188 6,193 3,196 6,199 1,200 3,203 1,205 1,208 1,212 1,213 5,216 1,218 2,221 3,225 5,230 2,233 2,237 1,238 3,246 3,249 1,250 2,253 1,258 7,263 1,264 1,272 5,276 820,277 16.37,278 16.37,279 16.37,280 16.37,281 16.37,282 14.297,283 13.021,284 9.769,285 16.884,286 12.771,287 12.771,288 12.771,289 12.771,290 12.771,291 9.605,292 18.055,293 4.567,294 13.515,295 3.69,296 1.718,297 0.824,298 0.427,299 0.427,300 0.427,301 3.908,304 1,305 1,306 1,307 553,308 3.24,311 71.212,312 173.622,319 1.726,320 19.937,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 51.5,332 259,333 4.353,334 3.591,335 6.266,336 3.933,337 2.996,338 4.007,339 1.081,340 9.464,341 2.839,342 4.158,343 3.088,344 6.094,345 3.813,346 2.848,347 3.722,348 0.86,349 8.866,350 2.715,351 3.949,352 2.853,353 5.868,354 3.566,355 2.586,356 3.426,357 0.473,358 8.088,359 2.525,360 3.546,361 2.686,362 5.246,363 3.222,364 2.281,365 2.813,367 6.547,368 2.137,369 3.33,370 2.117,371 4.585,372 2.801,373 1.867,374 2.63,376 4.811,377 1.72,378 2.883,379 1.623,380 4.199,381 2.431,382 1.487,383 2.009,385 3.75,386 1.397,387 2.735,388 1.585,389 3.724,390 2.259,391 1.289,392 1.822,394 2.89,395 1.241,396 2.5,397 1.15,398 3.478,399 2.011,400 1.042,401 1.5,403 2.506,404 1.006,405 2.441,406 1.017,407 3.405,408 1.984,409 1,410 1.419,412 2.136,413 0.983,414 2.254,415 1,416 3.259,417 1.741,418 0.78,419 1.106,421 2.007,422 0.736,423 2.146,424 0.935,425 3.247,426 1.476,427 0.645,428 0.952,430 1.592,431 0.525,432 1.583,433 0.672,434 2.696,435 1.292,436 0.427,437 0.479,439 0.621,440 0.366,441 0.841,442 0.255,443 2.538,444 0.507,445 -0.498,446 -0.593,448 -1.211,449 -0.49,450 0.748,451 -0.381,452 2.237,453 0.286,454 -0.675,455 -0.879,457 -1.457,458 -0.646,459 0.628,460 -0.63,461 1.896,462 0.272,463 -0.705,464 -0.927,466 -1.544,467 -0.674,468 11.7,469 0.488,470 0.503,471 0.021,472 33.25,473 1.385,474 18,475 0.75,476 15.25,477 0.635,478 17.369,479 0.724,480 24.9,481 0.607,482 22.516,483 0.938,484 6.636,485 0.276,486 5.033,487 0.21,488 0.114,490 0.299,496 0.775,497 1.178,498 0.718,499 0.93,500 0.619,501 0.881,502 1.022,503 1,504 0.832,505 0.84,506 0.704,507 0.816,508 1.023,509 1.131,510 0.977,511 1.081,512 0.981,513 1.012,514 1.017,515 1.11,516 1.187,517 1.175,518 1.195,519 1.124,520 1.025,521 0.925,522 1.112,523 1.046,524 1.212,525 0.984,526 1.359,527 1.167,528 1.226,529 1.179,530 1.385,531 1.113,532 1.219,533 0.91,534 1.086,535 0.921,536 1.549,537 0.91,538 0.984,539 0.751,540 0.868,541 0.846,542 1.315,543 0.812,544 4.5,545 0.074,546 2.667,547 1.188,548 1.193,549 0.834,550 0.322,551 0.273,552 0.199,553 0.099,554 6687,555 19427,556 2.064,557 41.5,559 10,561 3,562 1,564 3,567 1.666,568 1.946,569 3.426,570 -0.301,571 1,572 1,574 1,577 68.359,578 1.667,579 3.639,580 4.534,581 4.93,582 4.93,583 4.93,584 2.907,585 3.939,586 4.557,587 3.556,588 981.571,589 7.847,590 11786.8,591 1,592 1,594 1,595 219.66,596 1.347,597 4.522,598 0.173,599 0.005,600 0.076,601 0.035,602 0.038,603 0.03,604 0.013,605 0.012,606 0.01,607 0.006,608 0.399,609 0.33,610 1,611 0.757,612 115.453,613 -0.04,614 -0.112,615 0.062,616 -0.001,617 -0.055,618 0.008,619 -0.033,620 0.055,621 0.105,622 0.134,623 0.016,624 0.099,625 -0.071,626 -0.114,627 0.008,628 -0.08,629 -0.057,630 -0.064,631 -0.015,632 -0.101,633 -0.13,634 -0.145,635 -0.031,636 -0.16,637 0.01,638 0.035,639 -0.009,640 0.006,641 -0.033,642 0.023,643 -0.172,644 -0.208,645 -0.156,646 -0.145,647 -0.068,648 -0.139,649 0.002,650 0.087,651 -0.02,652 0.066,653 0.023,654 0.055,655 0.107,656 0.206,657 0.16,658 0.139,659 0.055,660 0.184,661 1.803,662 5.443,663 0.708,664 21.194,665 1.005,666 1.116,667 1.654,668 2.735,669 0.705,670 3.296,671 3.584,672 3.829,673 4.025,674 4.174,675 4.159,676 4.19,677 4.19,678 4.22,679 4.22,680 6.33,681 0.668,682 339.45,683 3.296,684 4.812,685 5.645,686 6.5,687 7.349,688 8.207,689 9.062,690 9.922,691 10.78,692 11.64,693 7.3,700 1,703 2,709 9,710 2,713 1,714 5,716 17,723 1,733 1,735 41,737 18,738 1,739 26,741 43,742 18,743 14,744 2,745 4,746 1,748 3,749 3,754 1,760 1,762 15,763 3,767 1,772 1,776 1,779 1,780 1,783 17,784 5,785 1,786 6,787 1,792 3,797 1,798 2,809 1,815 1,816 2,843 3,845 1,847 2,851 24,860 1,861 1,863 1,868 1,874 4.9,877 1,879 1,881 12.333,882 7.983,883 5.417,884 2.299,886 2.921,887 1.427,888 0.971,889 5.213,890 9.758,891 3.597,892 4.163,893 4.726,894 5.254,895 5.675,896 5.825,897 6.086,898 6.301,899 6.588,900 6.782,901 1,902 34,903 8.829,905 3.657,906 7.757,907 16.73,909 13.256,911 2.257,912 54.167,915 1,916 188.338,917 153.593,918 51.582,920 36.145,922 31.278,923 122.315,924 224.482,925 51.582,926 19.708,927 18.011,928 56.857,929 99.664,930 49.757,931 1.358,932 184.302,934 188.338,935 173.897,936 36.145,937 31.278,939 153.024,940 71.458,943 54.908,944 85.418,945 33.571,946 31.278,947 188.338,948 87.727,949 153.593,952 188.338,953 49.885,954 103.708,955 18.011,956 69.716,957 188.338,958 87.727,959 153.593,961 0.572,962 0.338,963 0.177,964 0.093,965 16,966 7,967 0.116,968 5,970 1,971 3.685,972 186.039,974 17,975 106.039,977 1,981 16.593,982 7.54,983 3.998,985 87.727,986 16.436,987 8.312,990 1.363,991 4.093,993 18.011,994 429.657,995 35.5,1000 12.443,1004 -0.136,1007 41.222,1008 45.74,1009 0.311,1010 0.679,1011 0.846,1012 0.92,1013 0.92,1014 0.92,1015 4.798,1016 1.042,1017 5.609,1018 2.89,1019 4.263,1020 4.848,1021 1.661,1022 6.375,1023 4.158,1024 5.987,1025 1,1026 7.143,1027 2.506,1028 3.761,1029 4.46,1031 7.182,1032 3.629,1033 7.271,1034 0.78,1035 8.775,1036 2.136,1037 5.814,1038 6.982,1039 1.594,1040 10.244,1041 5.618,1042 8.592,1043 0.645,1044 10.466,1045 2.007,1046 6.155,1047 7.435,1049 11.862,1050 5.913,1051 9.943,1052 0.427,1053 12.193,1054 1.592,1055 7.641,1056 9.377,1057 1.614,1058 14.407,1059 7.355,1060 11.316,1061 -0.498,1062 13.944,1063 0.621,1064 8.36,1065 10.231,1067 16.349,1068 8.019,1069 12.705,1070 -0.675,1071 15.711,1072 -1.211,1073 9.61,1074 11.905,1075 1.674,1076 18.704,1077 9.23,1078 2.996,1079 -0.705,1080 17.489,1081 -1.457,1082 10.51,1083 12.977,1085 20.79,1086 10.072,1087 2.848,1088 9.464,1089 19.276,1090 -1.544,1091 11.657,1092 14.511,1093 1.758,1094 23.067,1095 11.178,1096 2.586,1097 8.866,1098 21.068,1099 4.007,1100 12.646,1101 15.706,1103 25.222,1104 12.107,1105 2.281,1106 8.088,1107 22.865,1108 3.722,1109 13.749,1110 17.166,1111 1.859,1112 27.467,1113 13.166,1114 1.867,1115 6.547,1116 24.666,1117 3.426,1118 14.781,1119 18.432,1121 29.656,1122 14.139,1123 1.487,1124 4.811,1125 26.469,1126 2.813,1127 15.867,1128 19.851,1129 1.973,1130 31.889,1131 15.177,1132 1.289,1133 3.75,1134 28.275,1135 2.63,1136 16.921,1137 21.16,1139 34.096,1140 16.174,1141 6487,1142 11197,1143 17.394,1144 28.904,1145 38.984,1146 39.541,1147 39.516,1148 38.351,1149 38.492,1150 51.772,1151 4.827,1152 106.554,1153 36.378,1154 5.232,1155 5.591,1156 6.068,1157 5.048,1158 4.996,1159 7.007,1160 2.162,1161 16.025,1162 4.839,1163 10.569,1164 1.499,1165 1.521,1166 1.52,1167 1.475,1168 1.48,1169 1.991,1170 0.186,1171 4.098,1172 1.399,1173 3.987,1174 4.011,1175 4.257,1176 3.945,1177 7.429,1178 3.909,1179 3.913,1180 3.939,1181 3.874,1182 3.854,1183 4.954,1184 3.843,1185 3.704,1186 3.734,1187 3.72,1188 3.612,1189 4.864,1190 3.594,1191 3.466,1192 3.527,1193 3.396,1194 3.294,1195 4.717,1196 3.289,1197 3.227,1198 3.297,1199 3.073,1200 2.955,1201 4.406,1202 2.962,1203 3.067,1204 3.115,1205 2.961,1206 2.815,1207 4.112,1208 2.847,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.726,1214 2.715,1215 2.789,1216 2.865,1217 2.597,1218 2.652,1219 3.674,1220 2.627,1221 0.167,1222 0.138,1223 0.241,1224 0.151,1225 0.115,1226 4.353,1227 0.154,1228 3.591,1229 0.042,1230 6.266,1231 0.364,1232 3.933,1233 0.109,1234 2.996,1235 4.007,1236 1.081,1237 9.464,1238 2.839,1239 1.919,1240 1.894,1241 2.036,1242 2.022,1243 1.197,1244 2.027,1245 1.84,1246 1.811,1247 1.931,1248 1.952,1249 0.995,1250 1.954,1251 1.558,1252 1.536,1253 1.736,1254 1.755,1255 0.839,1256 1.746,1257 1.364,1258 1.317,1259 1.564,1260 1.548,1261 0.623,1262 1.555,1263 1.182,1264 1.105,1265 1.497,1266 1.476,1267 0.57,1268 1.505,1269 1.134,1270 1.101,1271 1.183,1272 1.308,1273 0.234,1274 1.302,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.826,1282 0.751,1283 1.102,1284 1.038,1285 0.21,1286 1.087,1287 3.97,1289 5.263,1290 2.398,1291 6.746,1292 4.595,1293 8.308,1294 6.605,1295 9.909,1297 3.567,1305 2.992,1306 5.221,1308 -0.126,1314 27.369,1315 68.359,1316 149.214,1317 185.885,1318 202.15,1319 202.15,1320 202.15,1321 37.496,1322 6.837,1323 64.11,1324 92.35,1325 17,1326 12.191,1327 4.248,1328 3.392,1329 39.429,1330 91,1331 84,1332 0.211,1333 174.412,1334 295.51,1335 417.326,1336 8213,1338 16.941,1339 0.706,1340 0.592,1341 17.295,1342 14.209,1343 11.669,1344 0.449,1345 0.319,1346 7.446,1347 10.801,1348 7.136,1349 5.975,1350 12.077,1351 8.298,1352 10.123,1353 0.289,1354 0.179,1355 10.765,1356 6.268,1357 8.584,1358 0.191,1359 0.103,1360 9.459,1361 4.643,1362 6.795,1363 0.124,1364 0.056,1365 7.603,1366 3.094,1367 5.134,1368 0.08,1369 0.031,1370 5.798,1371 1.979,1372 0.334,1373 77.152,1374 0.24,1375 23.722,1376 0.566,1377 122,1378 377.955,1379 158.434,1380 385.66,1381 524.65,1382 362,1383 141,1384 363.474,1385 175.475,1386 386.949,1387 560.53,1388 362,1389 5.1}
{0 CHEMBL1984700,1 1.735,2 10.303,3 4.421,4 19.546,5 120.303,6 7.974,7 0.611,8 4.159,9 4.278,10 3.77,11 3.635,12 5.356,13 3.65,14 4.685,15 4.859,16 4.185,17 4.001,18 5.916,19 4.017,20 4.937,21 5.121,22 4.231,23 4.125,24 6.183,25 4.121,26 4.992,27 5.243,28 4.262,29 4.127,30 6.222,31 4.117,32 4.859,33 5.044,34 4.308,35 4.173,36 6.087,37 4.177,38 4.988,39 5.181,40 4.356,41 4.259,42 6.259,43 4.252,44 5.032,45 5.226,46 4.282,47 4.24,48 6.277,49 4.202,50 4.98,51 5.204,52 4.145,53 4.116,54 6.192,55 4.063,56 0.147,57 1.009,58 10.484,59 4.853,60 16.803,61 5.982,62 0.442,63 1.556,64 21.007,65 7.912,66 39.217,67 10.147,68 0.926,69 1.869,70 29.71,71 9.725,72 90.681,73 11.893,74 0.967,75 2.019,76 34.584,77 9.607,78 118.568,79 13.897,80 0.634,81 1.886,82 25.067,83 8.356,84 51.8,85 11.322,86 0.778,87 2.105,88 28.9,89 9.23,90 61.987,91 12.365,92 0.806,93 2.121,94 31.725,95 11.672,96 73.212,97 15.062,98 0.921,99 1.923,100 32.254,101 10.762,102 86.154,103 14.501,104 59,105 53,106 0.282,107 0.634,108 0.774,109 0.843,110 0.843,111 0.843,112 3.533,113 0.868,114 -4.56,115 -4.49,116 -4.22,119 40.4,120 4,125 1,127 1,130 1,142 4,143 1,144 2,145 2,146 2,147 1,150 1,151 1,152 1,161 1,172 2,174 3,175 5,178 2,180 2,183 5,187 5,188 3,192 1,193 2,196 1,199 1,200 7,205 1,208 1,212 1,213 13,216 3,221 1,224 3,225 7,228 1,230 1,233 2,238 5,243 2,246 4,249 2,250 6,253 3,255 2,258 4,264 2,267 1,269 1,272 6,276 2113,277 21.463,278 21.463,279 21.463,280 21.463,281 21.463,282 18.887,283 19.097,284 12.408,285 22.172,286 17.808,287 17.808,288 17.808,289 17.808,290 17.808,291 13.882,292 24.619,293 5.934,294 19.057,295 4.098,296 1.934,297 1.071,298 0.649,299 0.649,300 0.649,301 4.222,305 1,306 1,307 716,308 4.123,311 67.617,312 275.712,315 132.718,319 1.543,320 49.552,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 74,332 340,333 4.779,334 3.43,335 7.09,336 4.317,337 3.37,338 4.731,339 0.86,340 12.316,341 3.198,342 4.269,343 3.35,344 6.398,345 4.055,346 3.104,347 3.947,348 0.4,349 9.963,350 2.942,351 4.144,352 3.173,353 6.39,354 3.825,355 2.878,356 3.731,358 9.727,359 2.718,360 4.068,361 2.952,362 6.095,363 3.658,364 2.724,365 3.245,367 8.794,368 2.536,369 3.77,370 2.705,371 5.456,372 3.339,373 2.428,374 3.085,376 7.17,377 2.208,378 3.509,379 2.616,380 5.209,381 3.103,382 2.175,383 2.854,385 6.266,386 2.001,387 3.283,388 2.308,389 5.067,390 3.011,391 2.08,392 2.494,394 5.901,395 1.925,396 3.117,397 2.047,398 4.748,399 2.669,400 1.739,401 2.378,403 4.82,404 1.609,405 2.995,406 1.83,407 4.58,408 2.603,409 1.681,410 2.083,412 4.647,413 1.537,414 2.884,415 1.491,416 4.138,417 2.373,418 1.434,419 2.024,421 3.562,422 1.339,423 2.704,424 1.322,425 4.039,426 2.203,427 1.256,428 1.792,430 3.165,431 1.185,432 2.585,433 1.148,434 3.602,435 2.054,436 1.1,437 1.626,439 2.648,440 1.045,441 2.177,442 0.887,443 3.468,444 1.67,445 0.754,446 1.047,448 2.035,449 0.688,450 1.762,451 0.841,452 3.318,453 1.552,454 0.631,455 0.697,457 1.515,458 0.579,459 1.375,460 0.417,461 2.906,462 0.987,463 0.076,464 0.094,466 0.19,467 0.068,468 15.138,469 0.459,470 1.138,471 0.034,472 43.5,473 1.318,474 21,475 0.636,476 22.5,477 0.682,478 30.588,479 0.927,480 36.462,481 0.64,482 37.318,483 1.131,484 8.396,485 0.254,486 7.224,487 0.219,488 0.192,489 0.033,490 0.357,494 2,496 0.743,497 1.253,498 0.713,499 1.168,500 0.681,501 0.982,502 0.758,503 1.031,504 0.651,505 0.979,506 0.589,507 0.824,508 1.274,509 1.07,510 1.075,511 0.962,512 1.205,513 0.978,514 0.807,515 0.847,516 0.683,517 0.67,518 0.649,519 0.626,520 0.772,521 1.011,522 0.833,523 0.91,524 0.644,525 0.875,526 0.864,527 0.898,528 1.009,529 0.937,530 0.661,531 0.968,532 0.889,533 1.193,534 1.006,535 1.266,536 0.881,537 1.197,538 0.822,539 0.983,540 0.981,541 1.092,542 0.847,543 1.095,544 8.5,545 0.376,546 3.556,547 2.667,548 2.389,549 1.591,550 1.065,551 0.867,552 0.635,553 0.48,554 13073,555 40425,556 2.018,557 42.1,559 7,560 1,561 2,562 2,564 12,567 1.762,568 1.842,569 3.318,570 0.252,572 1,577 98.884,578 1.735,579 3.899,580 4.762,581 5.183,582 5.183,583 5.183,584 2.717,585 4.574,586 5.009,587 3.535,588 1866.48,589 8.834,590 26970.5,592 1,595 332.475,596 1.681,597 4.943,598 0.236,599 0.013,600 0.067,601 0.05,602 0.043,603 0.027,604 0.017,605 0.016,606 0.014,607 0.012,608 0.495,609 0.17,610 1,611 1.27,612 171.471,613 -0.074,614 -0.211,615 0.036,616 -0.094,617 -0.102,618 -0.018,619 0.047,620 -0.064,621 0.213,622 0.021,623 0.083,624 0.131,625 -0.14,626 -0.074,627 -0.126,628 0.011,629 -0.164,630 -0.055,631 0.068,632 0.082,633 0.308,634 0.261,635 0.152,636 0.344,637 -0.013,638 -0.003,639 0.021,640 0.047,641 -0.009,642 0.047,643 -0.061,644 0.115,645 -0.139,646 -0.006,647 0.001,648 -0.065,649 0.038,650 -0.164,651 -0.087,652 -0.24,653 0.009,654 -0.212,655 0.111,656 -0.009,657 -0.017,658 -0.108,659 0.039,660 -0.113,661 2.423,662 6.793,663 0.636,664 33.851,665 1.02,666 1.145,667 3.332,668 11.102,669 0.657,670 3.611,671 3.989,672 4.22,673 4.564,674 4.868,675 5.056,676 5.263,677 5.472,678 5.58,679 5.638,680 6.529,681 0.642,682 454.53,683 3.611,684 5.187,685 6.038,686 6.952,687 7.834,688 8.756,689 9.656,690 10.584,691 11.495,692 12.426,693 10.5,698 1,701 1,703 4,708 1,709 7,710 4,714 8,716 22,728 1,733 1,734 2,735 57,737 22,738 1,739 36,741 60,742 23,743 16,744 3,745 3,748 4,749 5,754 4,760 1,762 16,763 7,764 1,780 1,781 2,783 24,784 9,785 2,786 10,789 1,792 6,797 0.75,798 2,801 1,806 1,810 1,815 1,816 3,819 1,841 1,843 3,847 4,849 2,851 33,857 1,858 1,860 1,861 1,863 1,865 1,873 2,874 3.5,875 1,879 1,881 17.917,882 11.569,883 6.986,884 3.36,886 4.207,887 1.522,888 0.944,889 6.287,890 12.273,891 3.871,892 4.535,893 5.15,894 5.842,895 6.475,896 6.944,897 7.472,898 8.007,899 8.405,900 8.783,901 0.857,902 53,903 12.282,905 5.373,906 8.018,907 22.625,909 18.35,911 2.518,912 83.083,915 1,916 258.964,917 140.581,918 86.439,920 53.683,921 29.92,923 140.581,924 312.647,925 116.36,926 35.301,927 2.106,928 89.636,929 110.41,930 57.322,931 51.162,932 223.651,934 258.964,935 227.02,936 83.603,939 147.631,940 152.253,941 42.683,943 65.916,944 75.951,945 85.153,947 288.884,948 140.123,949 140.581,952 258.964,953 40.233,954 101.635,955 18.011,956 150.746,957 258.964,958 170.043,959 140.581,961 0.594,962 0.315,963 0.177,964 0.109,965 26,966 13,967 0.117,968 7,969 1,970 1.095,971 4.114,972 321.763,973 0.095,974 21,975 159.71,981 23.03,982 9.009,983 5.105,984 0.365,985 168.756,986 9.743,987 17.615,991 0.369,993 60.694,994 569.588,995 47,1007 58.127,1008 65.24,1009 0.297,1010 0.668,1011 0.816,1012 0.889,1013 0.889,1014 0.889,1015 5.139,1016 1.739,1017 6.08,1018 5.901,1019 4.673,1020 5.223,1021 1.029,1022 6.95,1023 4.541,1024 6.391,1025 1.681,1026 7.677,1027 4.82,1028 4.511,1029 5.19,1031 8.091,1032 4.314,1033 7.73,1034 1.434,1035 9.378,1036 4.647,1037 6.361,1038 7.502,1039 0.763,1040 11.138,1041 6.113,1042 9.104,1043 1.256,1044 11.138,1045 3.562,1046 6.948,1047 8.258,1049 13.065,1050 6.641,1051 10.508,1052 1.1,1053 12.937,1054 3.165,1055 8.355,1056 10.106,1057 0.597,1058 15.709,1059 8.002,1060 11.935,1061 0.754,1062 14.763,1063 2.648,1064 9.267,1065 11.255,1067 17.954,1068 8.859,1069 13.38,1070 0.631,1071 16.608,1072 2.035,1073 10.517,1074 12.911,1075 0.47,1076 20.477,1077 10.062,1078 3.37,1079 0.076,1080 18.468,1081 1.515,1082 11.575,1083 14.261,1085 22.859,1086 11.068,1087 3.104,1088 12.316,1089 20.341,1090 0.19,1091 12.77,1092 15.838,1093 0.367,1094 25.35,1095 12.215,1096 2.878,1097 9.963,1098 22.224,1099 4.731,1100 13.894,1101 17.288,1103 27.794,1104 13.288,1105 2.724,1106 9.727,1107 24.116,1108 3.947,1109 15.074,1110 18.838,1111 0.283,1112 30.282,1113 14.42,1114 2.428,1115 8.794,1116 26.014,1117 3.731,1118 16.231,1119 20.337,1121 32.755,1122 15.525,1123 2.175,1124 7.17,1125 27.919,1126 3.245,1127 17.41,1128 21.88,1129 0.217,1130 35.248,1131 16.655,1132 2.08,1133 6.266,1134 29.83,1135 3.085,1136 18.584,1137 23.403,1139 37.737,1140 17.778,1141 12879,1142 22860,1143 23.175,1144 37.432,1145 55.676,1146 55.82,1147 56.748,1148 54.925,1149 54.86,1150 71.657,1151 2.52,1152 165.438,1153 51.158,1154 5.624,1155 5.43,1156 6.639,1157 5.392,1158 5.37,1159 7.731,1160 1.72,1161 19.94,1162 5.198,1163 20.556,1164 1.547,1165 1.551,1166 1.576,1167 1.526,1168 1.524,1169 1.99,1170 0.07,1171 4.596,1172 1.421,1173 4.159,1174 4.202,1175 4.145,1176 4.007,1177 8.211,1178 4.035,1179 3.865,1180 3.894,1181 3.833,1182 3.757,1183 8.191,1184 3.771,1185 3.821,1186 3.879,1187 3.769,1188 3.629,1189 6.449,1190 3.655,1191 3.682,1192 3.732,1193 3.563,1194 3.523,1195 5.148,1196 3.526,1197 3.593,1198 3.656,1199 3.441,1200 3.414,1201 4.957,1202 3.407,1203 3.267,1204 3.323,1205 3.211,1206 3.105,1207 4.613,1208 3.124,1209 3.094,1210 3.191,1211 2.945,1212 2.855,1213 4.443,1214 2.864,1215 2.904,1216 3.009,1217 2.865,1218 2.733,1219 4.296,1220 2.74,1221 0.133,1222 0.095,1223 0.197,1224 0.12,1225 0.094,1226 4.779,1227 0.131,1228 3.43,1229 0.024,1230 7.09,1231 0.342,1232 4.317,1233 0.089,1234 3.37,1235 4.731,1236 0.86,1237 12.316,1238 3.198,1239 1.919,1240 1.894,1241 1.983,1242 2.08,1243 1.151,1244 2.047,1245 1.848,1246 1.809,1247 1.942,1248 1.995,1249 1.106,1250 1.977,1251 1.743,1252 1.692,1253 1.924,1254 1.95,1255 1.061,1256 1.941,1257 1.654,1258 1.607,1259 1.862,1260 1.842,1261 0.969,1262 1.847,1263 1.571,1264 1.504,1265 1.765,1266 1.78,1267 0.767,1268 1.797,1269 1.267,1270 1.227,1271 1.417,1272 1.453,1273 0.542,1274 1.434,1275 1.061,1276 0.965,1277 1.417,1278 1.336,1279 0.469,1280 1.344,1281 0.934,1282 0.81,1283 1.416,1284 1.239,1285 0.469,1286 1.308,1287 4.29,1289 5.652,1290 2.398,1291 7.191,1292 4.844,1293 8.816,1294 7.081,1295 10.492,1297 7.043,1299 28.381,1302 9.996,1303 0.222,1305 2.988,1306 5.796,1308 -0.161,1310 -0.972,1314 36.593,1315 98.884,1316 222.22,1317 271.455,1318 295.455,1319 295.455,1320 295.455,1321 81.83,1322 8.065,1323 97.46,1324 97.46,1325 23,1326 12.932,1327 4.524,1328 3.585,1329 53.787,1330 121,1331 139,1332 0.21,1333 223.701,1334 382.74,1335 537.591,1336 33989,1337 3.5,1338 23.75,1339 0.72,1340 0.566,1341 22.01,1342 18.673,1343 15.62,1344 0.434,1345 0.289,1346 10.208,1347 14.776,1348 9.87,1349 8.227,1350 14.815,1351 10.41,1352 15.577,1353 0.294,1354 0.16,1355 14.415,1356 8.457,1357 11.293,1358 0.169,1359 0.069,1360 10.501,1361 4.621,1362 9.991,1363 0.105,1364 0.034,1365 9.275,1366 3.246,1367 8.509,1368 0.066,1369 0.018,1370 8.138,1371 2.263,1372 0.319,1373 99.485,1374 0.208,1375 29.958,1376 0.61,1377 178,1378 656.666,1379 204.987,1380 579.853,1381 781.67,1382 540,1383 209,1384 580.187,1385 235.011,1386 570.91,1387 840.92,1388 536,1389 5.1}
{0 CHEMBL1984711,1 1.615,2 13.226,3 5.15,4 26.523,5 115.833,6 7.337,7 0.5,8 4.174,9 4.29,10 3.73,11 3.613,12 5.278,13 3.62,14 4.715,15 4.891,16 4.05,17 3.982,18 5.739,19 3.965,20 4.903,21 5.11,22 4.103,23 4.102,24 5.874,25 4.055,26 4.966,27 5.183,28 4.116,29 4.107,30 5.969,31 4.052,32 4.987,33 5.202,34 4.027,35 4.044,36 5.991,37 4.007,38 4.865,39 5.078,40 3.907,41 3.962,42 5.89,43 3.897,44 4.819,45 5.094,46 3.806,47 3.857,48 5.734,49 3.777,50 4.659,51 4.903,52 3.758,53 3.79,54 5.634,55 3.737,56 0.119,57 0.851,58 12.595,59 5.055,60 12.118,61 6.75,62 0.467,63 1.301,64 24.437,65 8.44,66 33.332,67 11.395,68 0.593,69 1.524,70 30.153,71 9.585,72 38.569,73 14.006,74 0.636,75 1.552,76 32.577,77 10.411,78 46.492,79 15.188,80 0.833,81 1.499,82 34.883,83 9.169,84 57.583,85 13.194,86 0.795,87 1.382,88 30.071,89 8.365,90 54.038,91 12.474,92 0.567,93 1.291,94 29.852,95 8.153,96 43.682,97 12.997,98 0.479,99 1.151,100 24.545,101 6.75,102 38.28,103 10.47,104 19,105 46,106 0.264,107 0.569,108 0.698,109 0.764,110 0.787,111 0.81,112 3.471,113 0.912,114 -3.95,115 -3.91,116 -3.7,119 37.9,121 5,122 1,124 3,142 4,144 4,145 1,146 1,147 1,150 1,153 1,166 1,172 6,174 1,175 7,178 4,180 4,183 8,187 2,188 5,191 1,196 5,199 2,200 12,203 3,204 1,205 2,208 3,212 1,213 4,216 1,218 2,221 1,224 5,225 3,228 1,230 5,233 3,237 3,238 2,241 1,243 1,246 2,250 7,253 2,255 1,258 4,264 6,267 1,269 2,272 1,276 1644,277 21.574,278 21.574,279 21.574,280 21.574,281 21.574,282 19.557,283 33.976,284 12.822,285 22.369,286 16.652,287 16.652,288 16.652,289 16.652,290 16.652,291 13.393,292 57.097,293 5.869,294 17.666,295 4.243,296 2.378,297 1.586,298 1.186,299 1.044,300 0.901,301 4.17,305 1,306 1,307 883,308 3.082,311 89.482,312 328.193,319 2.104,320 25.978,323 1,324 0.83,325 1,326 1,327 1,328 1,329 1,330 0.98,331 68.5,332 410,333 4.425,334 3.375,335 6.524,336 4.01,337 3.067,338 4.109,339 0.86,340 10.263,341 2.886,342 4.233,343 3.132,344 6.184,345 3.911,346 2.933,347 3.822,348 0.86,349 9.241,350 2.87,351 4.061,352 2.885,353 5.71,354 3.647,355 2.718,356 3.641,357 0.86,358 8.072,359 2.525,360 3.638,361 2.63,362 5.441,363 3.367,364 2.414,365 2.924,366 0.4,367 7.243,368 2.297,369 3.484,370 2.555,371 5.19,372 3.145,373 2.18,374 2.703,375 0.4,376 6.364,377 2.094,378 3.355,379 2.295,380 5.147,381 2.972,382 2.061,383 2.604,385 6.118,386 1.867,387 3.193,388 2.026,389 4.784,390 2.801,391 1.857,392 2.415,394 5.336,395 1.75,396 2.826,397 1.873,398 4.295,399 2.607,400 1.63,401 1.879,403 4.075,404 1.588,405 2.658,406 1.703,407 3.778,408 2.154,409 1.214,410 1.727,412 2.689,413 1.14,414 2.284,415 1.235,416 3.505,417 2.021,418 1.13,419 1.236,421 2.552,422 1.016,423 2.196,424 1.085,425 3.471,426 2,427 1.057,428 1.182,430 2.36,431 1,432 2.078,433 1.012,434 3.265,435 1.959,436 1,437 1,439 2.136,440 0.931,441 2,442 1,443 3.247,444 1.673,445 0.676,446 0.95,448 1.656,449 0.674,450 1.576,451 0.916,452 2.923,453 1.27,454 0.396,455 0.452,457 0.603,458 0.342,459 1.445,460 0.685,461 2.859,462 1.192,463 0.349,464 0.373,466 0.48,467 0.292,468 14.333,469 0.462,470 0.563,471 0.018,472 39.75,473 1.282,474 18.5,475 0.597,476 21.25,477 0.685,478 26.614,479 0.859,480 34.867,481 0.601,482 29.857,483 0.963,484 7.693,485 0.248,486 7.502,487 0.242,488 0.105,490 0.314,496 0.863,497 1.474,498 0.788,499 1.272,500 0.754,501 1.05,502 1.097,503 1.048,504 0.866,505 0.984,506 0.875,507 0.909,508 0.85,509 1.161,510 0.908,511 1.052,512 0.837,513 0.991,514 0.782,515 1.152,516 0.887,517 1.134,518 0.753,519 1.047,520 1.658,521 0.998,522 1.188,523 0.872,524 1.56,525 0.929,526 1.173,527 1.114,528 1.201,529 1.047,530 1.195,531 1.119,532 0.745,533 0.91,534 0.784,535 0.804,536 0.749,537 0.788,538 0.953,539 0.897,540 0.931,541 0.819,542 1.094,543 0.834,544 6,545 0.153,546 2.444,547 2.285,548 1.428,549 0.987,550 0.479,551 0.365,552 0.218,553 0.224,554 14065,555 35360,556 2.104,557 46.6,558 10,559 13,561 1,562 2,563 1,567 1.734,568 2,569 3.675,570 0.257,577 93.664,578 1.615,579 3.48,580 4.272,581 4.672,582 4.814,583 4.957,584 3.1,585 4.478,586 4.927,587 3.859,588 1794.63,589 8.588,590 26495.4,595 339.763,596 1.277,597 4.899,598 0.176,599 0.006,600 0.053,601 0.049,602 0.031,603 0.023,604 0.013,605 0.011,606 0.007,607 0.007,608 0.377,609 0.33,610 1,611 0.812,612 163.516,613 0.017,614 -0.213,615 0.077,616 -0.132,617 0.093,618 -0.031,619 -0.01,620 0.049,621 0.085,622 0.06,623 0.135,624 0.075,625 0.077,626 -0.091,627 0.043,628 -0.042,629 0.091,630 -0.007,631 0.165,632 -0.121,633 0.077,634 -0.133,635 0.207,636 -0.061,637 -0.287,638 -0.005,639 -0.153,640 0.055,641 -0.282,642 -0.014,643 -0.022,644 -0.067,645 -0.207,646 -0.101,647 -0.095,648 -0.186,649 0.084,650 0.06,651 0.212,652 0.116,653 0.164,654 0.18,655 -0.045,656 0.157,657 0.049,658 0.117,659 -0.053,660 0.117,661 1.258,662 1.977,663 0.742,664 33.521,665 1.009,666 1.136,667 2.722,668 7.412,669 0.642,670 3.555,671 3.85,672 4.127,673 4.394,674 4.554,675 4.585,676 4.691,677 4.787,678 4.86,679 4.949,680 7.753,681 0.617,682 425.54,683 3.555,684 5.081,685 5.927,686 6.797,687 7.655,688 8.529,689 9.391,690 10.266,691 11.13,692 12.005,693 8.6,701 2,703 3,709 5,710 3,712 1,714 8,716 17,728 2,733 3,735 58,737 17,738 1,739 34,741 61,742 22,743 13,744 4,745 2,748 4,749 4,757 5,758 1,760 5,762 13,763 9,764 1,783 27,784 9,785 2,786 9,791 1,792 5,797 1,798 4,810 1,815 1,816 3,843 4,847 3,851 31,858 5,860 2,861 3,863 1,874 6.9,879 4,881 15.5,882 11.267,883 7.083,884 3.453,886 3.204,887 1.409,888 0.957,889 7.146,890 11.044,891 3.773,892 4.334,893 4.886,894 5.442,895 5.854,896 6.066,897 6.381,898 6.756,899 7.098,900 7.456,901 0.889,902 47,903 11.401,905 4.7,906 7.634,907 21.937,909 17.541,911 2.134,912 66.167,915 1,916 294.278,917 122.765,918 89.189,920 42.734,923 122.765,924 337.011,925 89.189,926 32.649,927 12.673,928 37.905,929 64.939,930 114.066,931 4.227,932 282.506,934 294.278,935 211.954,936 42.734,939 294.278,940 42.734,943 67.417,944 91.369,945 53.168,947 294.278,948 131.923,949 122.765,952 294.278,953 43.163,954 79.602,955 36.022,956 95.901,957 294.278,958 131.923,959 122.765,961 0.565,962 0.344,963 0.197,964 0.102,965 21,966 9,967 0.131,968 8,970 1,971 4.306,972 272.39,974 23,975 141.58,981 21.715,982 10.201,983 5.222,985 131.923,986 8.969,987 13.036,989 5.477,991 4.871,993 36.022,994 548.966,995 42.5,1007 58.538,1008 65.896,1009 0.276,1010 0.594,1011 0.729,1012 0.798,1013 0.822,1014 0.846,1015 4.999,1016 1.63,1017 5.889,1018 5.336,1019 4.533,1020 5.021,1021 1.805,1022 6.673,1023 4.424,1024 6.175,1025 1.214,1026 7.425,1027 4.075,1028 4.007,1029 4.745,1031 7.496,1032 3.847,1033 7.466,1034 1.13,1035 9.057,1036 2.689,1037 6.098,1038 7.162,1039 1.478,1040 10.581,1041 5.895,1042 8.792,1043 1.057,1044 10.746,1045 2.552,1046 6.415,1047 7.718,1049 12.228,1050 6.152,1051 10.152,1052 1,1053 12.473,1054 2.36,1055 7.926,1056 9.58,1057 1.237,1058 14.805,1059 7.633,1060 11.532,1061 0.676,1062 14.225,1063 2.136,1064 8.641,1065 10.528,1067 16.808,1068 8.285,1069 12.928,1070 0.396,1071 15.996,1072 1.656,1073 9.909,1074 12.15,1075 1.029,1076 19.207,1077 9.525,1078 3.067,1079 0.349,1080 17.781,1081 0.603,1082 10.82,1083 13.299,1085 21.371,1086 10.376,1087 2.933,1088 10.263,1089 19.578,1090 0.48,1091 11.984,1092 14.806,1093 0.845,1094 23.707,1095 11.508,1096 2.718,1097 9.241,1098 21.384,1099 4.109,1100 12.99,1101 16.062,1103 25.947,1104 12.459,1105 2.414,1106 8.072,1107 23.198,1108 3.822,1109 14.111,1110 17.511,1111 0.684,1112 28.262,1113 13.543,1114 2.18,1115 7.243,1116 25.018,1117 3.641,1118 15.163,1119 18.826,1121 30.537,1122 14.544,1123 2.061,1124 6.364,1125 26.844,1126 2.924,1127 16.268,1128 20.247,1129 0.546,1130 32.847,1131 15.608,1132 1.857,1133 6.118,1134 28.675,1135 2.703,1136 17.344,1137 21.595,1139 35.142,1140 16.634,1141 13378,1142 21465,1143 23.057,1144 37.222,1145 49.403,1146 50.42,1147 51.648,1148 49.312,1149 49.368,1150 62.035,1151 6.76,1152 138.373,1153 46.547,1154 5.425,1155 5.375,1156 6.326,1157 5.089,1158 5.067,1159 7.109,1160 1.72,1161 17.184,1162 4.886,1163 13.203,1164 1.453,1165 1.483,1166 1.519,1167 1.45,1168 1.452,1169 1.825,1170 0.199,1171 4.07,1172 1.369,1173 4.008,1174 4.045,1175 3.962,1176 3.864,1177 5.231,1178 3.879,1179 3.931,1180 3.956,1181 3.885,1182 3.813,1183 5.028,1184 3.821,1185 3.808,1186 3.853,1187 3.747,1188 3.644,1189 4.932,1190 3.665,1191 3.671,1192 3.712,1193 3.574,1194 3.48,1195 4.58,1196 3.5,1197 3.303,1198 3.355,1199 3.16,1200 3.026,1201 4.466,1202 3.05,1203 3.284,1204 3.345,1205 3.144,1206 3.006,1207 4.27,1208 3.026,1209 3.201,1210 3.281,1211 2.978,1212 2.941,1213 4.239,1214 2.91,1215 3.111,1216 3.206,1217 2.923,1218 2.905,1219 4.063,1220 2.902,1221 0.13,1222 0.099,1223 0.192,1224 0.118,1225 0.09,1226 4.425,1227 0.121,1228 3.375,1229 0.025,1230 6.524,1231 0.302,1232 4.01,1233 0.085,1234 3.067,1235 4.109,1236 0.86,1237 10.263,1238 2.886,1239 1.891,1240 1.865,1241 2.101,1242 2.036,1243 1.492,1244 2.053,1245 1.879,1246 1.84,1247 1.953,1248 2.022,1249 1.068,1250 2.008,1251 1.733,1252 1.687,1253 1.823,1254 1.924,1255 0.901,1256 1.895,1257 1.434,1258 1.391,1259 1.608,1260 1.605,1261 0.825,1262 1.596,1263 1.227,1264 1.163,1265 1.59,1266 1.558,1267 0.798,1268 1.565,1269 1.222,1270 1.161,1271 1.572,1272 1.529,1273 0.584,1274 1.536,1275 1.174,1276 1.12,1277 1.543,1278 1.512,1279 0.575,1280 1.504,1281 1.154,1282 1.07,1283 1.513,1284 1.465,1285 0.563,1286 1.449,1287 4.234,1289 5.533,1290 2.398,1291 7.031,1292 4.595,1293 8.617,1294 6.581,1295 10.249,1297 4.705,1303 6.15,1305 6.327,1306 16.148,1308 0.482,1314 35.761,1315 93.664,1316 201.84,1317 247.75,1318 270.969,1319 279.234,1320 287.498,1321 46.012,1322 7.84,1323 103.56,1324 103.56,1325 23,1326 12.547,1327 4.17,1328 3.248,1329 49.634,1330 146,1331 140,1332 0.164,1333 218.766,1334 376.06,1335 525.548,1336 30723,1338 21.631,1339 0.698,1340 0.58,1341 21.631,1342 17.974,1343 15.195,1344 0.447,1345 0.304,1346 10.107,1347 14.294,1348 9.847,1349 8.245,1350 15.195,1351 10.336,1352 12.953,1353 0.282,1354 0.16,1355 12.953,1356 7.38,1357 11.126,1358 0.182,1359 0.088,1360 11.126,1361 5.38,1362 9.62,1363 0.12,1364 0.048,1365 9.62,1366 3.836,1367 7.431,1368 0.079,1369 0.028,1370 7.431,1371 2.615,1372 0.264,1373 97.555,1374 0.208,1375 29.53,1376 0.434,1377 160,1378 518.543,1379 182.114,1380 482.621,1381 666.56,1382 456,1383 187,1384 503.448,1385 210.03,1386 502.851,1387 728.25,1388 468,1389 5.1}
{0 CHEMBL1984788,1 1.737,2 10.231,3 3.366,4 11.327,5 98.527,6 8.474,7 0.552,8 3.906,9 4.027,10 3.572,11 3.486,12 5.056,13 3.473,14 4.444,15 4.599,16 3.986,17 3.919,18 5.62,19 3.88,20 4.745,21 4.949,22 4.051,23 4.052,24 5.849,25 3.985,26 4.77,27 4.996,28 4.081,29 3.987,30 5.982,31 3.922,32 4.691,33 4.919,34 4.029,35 3.87,36 5.968,37 3.811,38 4.486,39 4.707,40 3.639,41 3.698,42 5.673,43 3.617,44 4.316,45 4.527,46 3.665,47 3.545,48 5.575,49 3.505,50 4.268,51 4.474,52 3.666,53 3.427,54 5.817,55 3.383,56 0.091,57 0.733,58 7.408,59 3.747,60 13.357,61 4.563,62 0.217,63 1.19,64 14.749,65 6.873,66 32.255,67 8.67,68 0.369,69 1.485,70 26.022,71 9.658,72 52.489,73 12.302,74 0.577,75 1.535,76 26.813,77 9.329,78 70.931,79 12.355,80 0.63,81 1.39,82 28.356,83 8.813,84 79.583,85 11.014,86 0.469,87 1.217,88 22.098,89 7.685,90 65.047,91 9.216,92 0.299,93 1.078,94 16.858,95 6.383,96 45.86,97 7.448,98 0.669,99 0.904,100 18.788,101 5.304,102 101.862,103 6.077,104 18,105 42,106 0.299,107 0.683,108 0.824,109 0.901,110 0.901,111 0.901,112 3.305,113 0.921,114 -4.61,115 -4.53,116 -4.26,119 43.2,121 2,122 1,125 2,142 5,143 3,144 2,146 1,152 1,158 1,161 1,163 1,164 1,165 1,172 8,175 3,177 1,178 2,180 5,183 11,185 1,188 4,193 5,196 8,198 1,199 1,200 2,202 1,203 1,205 6,208 6,213 4,216 1,217 1,218 4,220 1,221 5,223 2,225 2,230 3,233 7,235 1,238 2,243 2,246 5,248 1,250 3,253 1,254 1,255 3,258 5,260 2,264 1,269 1,272 4,274 1,276 936,277 17.447,278 17.447,279 17.447,280 17.447,281 17.447,282 15.459,283 15.397,284 10.147,285 17.781,286 14.332,287 14.332,288 14.332,289 14.332,290 14.332,291 11.213,292 13.8,293 4.834,294 14.944,295 3.722,296 1.494,297 0.673,298 0.227,299 0.227,300 0.227,301 4,302 1,304 1,305 1,306 1,307 581,308 2.739,311 52.886,312 235.166,315 104.303,319 1.769,320 34.911,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 56.833,332 266,333 4.655,334 3.56,335 6.731,336 4.19,337 3.223,338 4.601,339 0.98,340 10.993,341 3.117,342 4.334,343 3.28,344 6.433,345 3.966,346 2.982,347 3.99,348 0.4,349 9.886,350 2.933,351 3.948,352 3.058,353 6.11,354 3.703,355 2.719,356 3.349,358 8.934,359 2.67,360 3.719,361 2.93,362 5.61,363 3.329,364 2.343,365 3.065,367 7.207,368 2.298,369 3.552,370 2.661,371 5.063,372 3.058,373 2.176,374 2.921,376 6.059,377 1.89,378 3.13,379 2.122,380 4.915,381 2.823,382 1.864,383 2.303,385 5.308,386 1.735,387 2.92,388 1.995,389 4.398,390 2.571,391 1.641,392 2.007,394 4.214,395 1.501,396 2.89,397 1.758,398 4.285,399 2.355,400 1.365,401 1.983,403 3.665,404 1.338,405 2.636,406 1.376,407 3.935,408 2.221,409 1.249,410 1.689,412 3.084,413 1.208,414 2.218,415 1.146,416 3.505,417 1.996,418 1.02,419 1.191,421 2.627,422 0.991,423 2.044,424 1.073,425 3.376,426 1.954,427 1,428 1,430 2.136,431 0.951,432 2,433 0.817,434 3.247,435 1.489,436 0.557,437 0.803,439 1.533,440 0.501,441 1.217,442 0.322,443 2.787,444 0.841,445 -0.094,446 -0.117,448 -0.236,449 -0.085,450 0.988,451 0.17,452 2.595,453 0.488,454 -0.41,455 -0.538,457 -1.095,458 -0.287,459 0.742,460 0.045,461 2.457,462 0.386,463 -0.549,464 -0.62,466 -1.34,467 -0.503,468 12.433,469 0.478,470 0.733,471 0.028,472 32.5,473 1.25,474 15.5,475 0.596,476 17,477 0.654,478 21.998,479 0.846,480 27.767,481 0.631,482 24.18,483 0.93,484 6.25,485 0.24,486 6.275,487 0.241,488 0.139,490 0.402,494 1,496 0.681,497 1.019,498 0.61,499 0.835,500 0.595,501 0.801,502 0.592,503 1.036,504 0.659,505 0.954,506 0.463,507 0.932,508 0.877,509 1.102,510 0.884,511 1.032,512 0.797,513 0.996,514 0.753,515 1.003,516 0.718,517 0.944,518 0.79,519 0.935,520 1.058,521 1.084,522 0.906,523 0.972,524 1.089,525 0.911,526 1.359,527 1.152,528 1.074,529 1.027,530 1.472,531 1.043,532 1.46,533 1.494,534 0.822,535 1.019,536 1.532,537 0.938,538 1.316,539 1.005,540 1.174,541 0.974,542 1.254,543 1.013,544 5.5,545 0.118,546 3.111,547 2.069,548 1.654,549 1.258,550 0.548,551 0.434,552 0.183,553 0.168,554 7976,555 23474,556 2.101,557 40.9,558 2,559 9,562 4,564 3,567 1.69,568 1.95,569 3.318,570 1.735,571 1,572 1,577 76.446,578 1.737,579 3.965,580 4.786,581 5.232,582 5.232,583 5.232,584 2.782,585 4.133,586 4.671,587 3.494,588 1135.44,589 8.091,590 13883.4,592 1,594 1,595 240.215,596 1.46,597 4.624,598 0.19,599 0.008,600 0.074,601 0.048,602 0.04,603 0.035,604 0.02,605 0.016,606 0.008,607 0.01,608 0.45,609 0.17,610 1,611 0.777,612 126.421,613 -0.092,614 0.033,616 0.093,617 -0.061,618 0.086,619 0.045,620 -0.042,621 0.038,622 -0.005,623 0.111,625 -0.066,626 -0.153,627 -0.011,628 -0.056,629 -0.015,630 -0.013,631 0.154,632 -0.019,633 0.137,634 0.001,635 0.088,636 0.033,637 0.085,638 -0.015,639 0.127,640 0.01,641 0.044,642 0.064,643 -0.124,644 0.041,645 -0.131,646 -0.016,647 -0.161,648 -0.057,649 -0.129,650 -0.194,651 0.073,652 -0.015,653 -0.113,654 0.03,655 0.194,656 0.233,657 -0.054,658 -0.019,659 0.292,660 -0.119,661 2.295,662 6.76,663 0.808,664 23.385,665 1.015,666 1.132,667 3.381,668 11.432,669 0.69,670 3.401,671 3.761,672 4.06,673 4.369,674 4.615,675 4.727,676 4.905,677 4.984,678 5.075,679 5.187,680 6.127,681 0.664,682 372.86,683 3.401,684 4.963,685 5.832,686 6.732,687 7.621,688 8.526,689 9.424,690 10.331,691 11.233,692 12.142,693 9.1,695 1,700 1,701 1,703 1,708 2,709 5,710 1,711 1,714 6,716 16,722 1,734 2,735 44,737 17,738 2,739 29,741 47,742 19,743 13,744 7,745 5,746 1,748 4,749 5,750 1,757 2,758 1,760 2,762 14,763 5,764 1,767 1,772 1,776 1,779 1,780 1,781 1,783 18,784 5,785 4,786 7,787 1,789 1,792 4,797 0.75,798 1,815 1,816 3,819 1,838 1,843 3,848 1,849 1,851 26,852 1,858 4,860 1,863 1,873 2,874 2.3,877 1,881 13.333,882 7.736,883 5.583,884 2.678,886 3.303,887 1.433,888 1.034,889 4.593,890 10.934,891 3.664,892 4.314,893 4.951,894 5.614,895 6.196,896 6.626,897 7.115,898 7.528,899 7.885,900 8.29,901 0.857,902 43,903 9.673,905 4.321,906 7.94,907 18.206,909 15.543,911 2.44,912 63.444,915 1,916 164.795,917 90.161,918 84.479,919 39.149,920 25.145,921 14.96,923 90.161,924 229.089,925 99.439,927 42.178,928 65.392,929 48.963,930 41.108,931 17.104,932 164.795,933 39.149,934 164.795,935 174.64,936 40.105,937 39.149,939 144.442,940 60.458,943 81.446,944 76.408,945 55.934,947 179.756,948 109.624,949 129.31,952 164.795,953 42.78,954 47.381,955 34.796,956 128.936,957 164.795,958 124.584,959 129.31,961 0.591,962 0.347,963 0.195,964 0.11,965 22,966 10,967 0.064,968 3,969 1,970 1.095,971 3.75,972 227.776,973 0.095,974 21,975 122.211,981 17.317,982 6.897,983 3.324,984 0.929,985 107.799,986 8.335,987 4.381,988 3.032,991 1.896,993 67.693,994 418.689,995 38,1000 11.629,1004 -0.629,1007 44.64,1008 49.808,1009 0.318,1010 0.726,1011 0.877,1012 0.958,1013 0.958,1014 0.958,1015 4.92,1016 1.365,1017 5.838,1018 4.214,1019 4.443,1020 5.001,1021 1.176,1022 6.686,1023 4.365,1024 6.148,1025 1.249,1026 7.42,1027 3.665,1028 4.111,1029 4.945,1031 7.639,1032 3.984,1033 7.477,1034 1.02,1035 9.101,1036 3.084,1037 6.071,1038 7.273,1039 1.063,1040 10.762,1041 5.942,1042 8.842,1043 1,1044 10.84,1045 2.627,1046 6.538,1047 8.043,1049 12.532,1050 6.375,1051 10.24,1052 0.557,1053 12.615,1054 2.136,1055 7.995,1056 9.876,1057 1.022,1058 15.168,1059 7.823,1060 11.661,1061 -0.094,1062 14.415,1063 1.533,1064 8.825,1065 11.031,1067 17.275,1068 8.623,1069 13.1,1070 -0.41,1071 16.233,1072 -0.236,1073 10.084,1074 12.668,1075 0.993,1076 19.739,1077 9.865,1078 3.223,1079 -0.549,1080 18.064,1081 -1.095,1082 11.084,1083 14.009,1085 21.991,1086 10.834,1087 2.982,1088 10.993,1089 19.905,1090 -1.34,1091 12.265,1092 15.566,1093 0.967,1094 24.393,1095 11.993,1096 2.719,1097 9.886,1098 21.755,1099 4.601,1100 13.342,1101 16.998,1103 26.71,1104 13.038,1105 2.343,1106 8.934,1107 23.61,1108 3.99,1109 14.497,1110 18.525,1111 0.942,1112 29.091,1113 14.165,1114 2.176,1115 7.207,1116 25.472,1117 3.349,1118 15.611,1119 20,1121 31.439,1122 15.247,1123 1.864,1124 6.059,1125 27.337,1126 3.065,1127 16.757,1128 21.517,1129 0.917,1130 33.816,1131 16.363,1132 1.641,1133 5.308,1134 29.206,1135 2.921,1136 17.889,1137 23.014,1139 36.18,1140 17.462,1141 7580,1142 13205,1143 19.304,1144 30.364,1145 44.645,1146 45.603,1147 45.697,1148 44.472,1149 44.277,1150 57.805,1151 2.76,1152 131.291,1153 42.266,1154 5.655,1155 5.56,1156 6.533,1157 5.226,1158 5.223,1159 7.601,1160 1.96,1161 18.144,1162 5.117,1163 12.909,1164 1.539,1165 1.573,1166 1.576,1167 1.534,1168 1.527,1169 1.993,1170 0.095,1171 4.527,1172 1.457,1173 4.143,1174 4.177,1175 4.161,1176 4.038,1177 8.201,1178 4.052,1179 3.943,1180 3.98,1181 3.908,1182 3.869,1183 7.437,1184 3.867,1185 3.724,1186 3.776,1187 3.672,1188 3.593,1189 5.095,1190 3.59,1191 3.453,1192 3.505,1193 3.541,1194 3.247,1195 4.869,1196 3.27,1197 3.278,1198 3.319,1199 3.381,1200 3.096,1201 4.743,1202 3.117,1203 3.091,1204 3.174,1205 2.977,1206 2.945,1207 4.567,1208 2.929,1209 3.023,1210 3.126,1211 2.813,1212 2.764,1213 4.306,1214 2.761,1215 2.895,1216 2.955,1217 2.799,1218 2.733,1219 3.861,1220 2.733,1221 0.161,1222 0.123,1223 0.232,1224 0.144,1225 0.111,1226 4.655,1227 0.159,1228 3.56,1229 0.034,1230 6.731,1231 0.379,1232 4.19,1233 0.107,1234 3.223,1235 4.601,1236 0.98,1237 10.993,1238 3.117,1239 1.966,1240 1.938,1241 2.096,1242 2.073,1243 1.425,1244 2.082,1245 1.924,1246 1.908,1247 1.966,1248 2.014,1249 1.126,1250 2.006,1251 1.729,1252 1.674,1253 1.899,1254 1.898,1255 1.076,1256 1.9,1257 1.364,1258 1.31,1259 1.513,1260 1.62,1261 0.785,1262 1.588,1263 1.173,1264 1.122,1265 1.428,1266 1.455,1267 0.579,1268 1.435,1269 1.056,1270 0.971,1271 1.359,1272 1.335,1273 0.442,1274 1.365,1275 0.984,1276 0.902,1277 1.266,1278 1.266,1279 0.174,1280 1.291,1281 0.919,1282 0.865,1283 1.11,1284 1.075,1285 0.131,1286 1.077,1287 4.078,1289 5.425,1290 2.398,1291 6.967,1292 4.727,1293 8.599,1294 6.862,1295 10.279,1298 6.026,1299 14.76,1301 5.398,1303 4.024,1305 3.342,1308 0.322,1314 29.226,1315 76.446,1316 174.466,1317 210.605,1318 230.215,1319 230.215,1320 230.215,1321 52.43,1322 7.63,1323 83.8,1324 83.8,1325 23,1326 12.659,1327 4.17,1328 3.322,1329 38.096,1330 96,1331 96,1332 0.199,1333 180.737,1334 308.07,1335 432.757,1336 20580,1337 4.5,1338 18.259,1339 0.702,1340 0.567,1341 17.889,1342 14.737,1343 12.525,1344 0.432,1345 0.307,1346 8.449,1347 11.801,1348 8.285,1349 6.797,1350 12.403,1351 8.901,1352 11.752,1353 0.28,1354 0.167,1355 11.621,1356 7.018,1357 9.77,1358 0.171,1359 0.089,1360 9.607,1361 5.052,1362 8.561,1363 0.11,1364 0.048,1365 8.382,1366 3.73,1367 7.054,1368 0.071,1369 0.026,1370 7.137,1371 2.632,1372 0.309,1373 81.373,1374 0.228,1375 24.935,1376 0.552,1377 142,1378 451.673,1379 170.142,1380 446.477,1381 592.84,1382 414,1383 170,1384 409.875,1385 192.1,1386 420.661,1387 620.99,1388 397,1389 5.1}
{0 CHEMBL1984842,1 1.62,2 11.529,3 5.013,4 25.128,5 129.233,6 7.375,7 0.595,8 4.238,9 4.364,10 3.789,11 3.726,12 5.365,13 3.717,14 4.775,15 4.962,16 4.166,17 4.113,18 5.862,19 4.089,20 5.021,21 5.223,22 4.248,23 4.26,24 6.116,25 4.205,26 5.202,27 5.478,28 4.199,29 4.235,30 6.19,31 4.178,32 4.929,33 5.138,34 4.266,35 4.239,36 5.981,37 4.21,38 5.036,39 5.236,40 4.356,41 4.323,42 6.226,43 4.295,44 5.094,45 5.3,46 4.261,47 4.346,48 6.166,49 4.283,50 5.102,51 5.336,52 4.116,53 4.264,54 6.142,55 4.162,56 0.062,57 1.018,58 13.152,59 5.483,60 12.962,61 7.354,62 0.377,63 1.594,64 25.204,65 9.052,66 42.813,67 12.458,68 0.434,69 1.933,70 32.885,71 11.593,72 50.784,73 16.206,74 0.925,75 1.946,76 45.221,77 11.736,78 99.865,79 17.81,80 0.362,81 1.824,82 29.654,83 9.465,84 33.442,85 14.116,86 0.668,87 2.06,88 32.986,89 9.712,90 67.162,91 14.543,92 0.472,93 2.089,94 35.378,95 11.715,96 44.912,97 16.798,98 0.583,99 1.994,100 37.288,101 12.795,102 63.182,103 18.276,104 50,105 53,106 0.259,107 0.603,108 0.765,109 0.83,110 0.83,111 0.83,112 3.561,113 0.909,114 -4.87,115 -4.78,116 -4.49,119 39.7,120 4,122 1,123 1,125 3,142 5,143 1,144 1,145 2,146 2,147 1,150 1,151 1,152 1,161 1,172 8,174 3,175 4,178 2,180 2,183 6,187 5,188 6,193 4,196 2,199 1,200 9,204 1,205 1,208 1,212 1,213 14,216 1,221 2,224 3,225 13,228 3,230 1,233 3,238 7,243 2,246 3,249 2,250 6,253 2,255 3,258 6,264 4,267 1,272 12,276 2370,277 22.593,278 22.593,279 22.593,280 22.593,281 22.593,282 20.069,283 16.003,284 13.1,285 23.171,286 18.179,287 18.179,288 18.179,289 18.179,290 18.179,291 14.332,292 20.681,293 6.164,294 19.211,295 4.357,296 2.196,297 1.185,298 0.778,299 0.778,300 0.778,301 4.253,305 1,306 1,307 825,308 4.301,311 72.017,312 290.224,315 140.57,319 1.737,320 37.373,323 1,324 0.83,325 0.83,326 0.8,327 0.5,328 1,329 1,330 0.85,331 74.5,332 392,333 4.767,334 3.386,335 7.065,336 4.3,337 3.353,338 4.724,339 0.86,340 12.229,341 3.179,342 4.195,343 3.228,344 6.69,345 4.169,346 3.179,347 3.792,348 0.4,349 10.767,350 3.148,351 4.145,352 2.966,353 6.263,354 3.706,355 2.765,356 3.667,358 9.324,359 2.609,360 4.044,361 2.878,362 5.882,363 3.609,364 2.656,365 3.236,367 8.205,368 2.518,369 3.747,370 2.648,371 5.414,372 3.309,373 2.386,374 3.15,376 7,377 2.202,378 3.493,379 2.402,380 5.06,381 3.166,382 2.198,383 2.835,385 6.015,386 2.124,387 3.269,388 2.243,389 5.017,390 3.063,391 2.123,392 2.477,394 5.728,395 1.976,396 3.123,397 1.946,398 4.638,399 2.741,400 1.818,401 2.267,403 5.03,404 1.67,405 3.016,406 1.558,407 4.418,408 2.467,409 1.526,410 2.173,412 4.036,413 1.431,414 2.737,415 1.394,416 4.254,417 2.238,418 1.295,419 1.84,421 3.511,422 1.216,423 2.606,424 1.196,425 3.644,426 2.068,427 1.128,428 1.656,430 2.672,431 1.055,432 2.5,433 1.161,434 3.552,435 2,436 1,437 1.5,439 2.275,440 1,441 2.252,442 1.115,443 3.46,444 1.784,445 0.891,446 1.165,448 2.244,449 0.791,450 1.825,451 1,452 3.414,453 1.632,454 0.719,455 0.777,457 1.617,458 0.653,459 1.648,460 0.771,461 3.035,462 1.33,463 0.428,464 0.512,466 1.03,467 0.383,468 15.852,469 0.466,470 0.988,471 0.029,472 43.75,473 1.287,474 21,475 0.618,476 22.75,477 0.669,478 32.744,479 0.963,480 37.548,481 0.596,482 36.267,483 1.067,484 8.248,485 0.243,486 8.022,487 0.236,488 0.165,489 0.032,490 0.309,494 1,496 0.805,497 1.358,498 0.792,499 1.193,500 0.743,501 1.026,502 0.833,503 1.009,504 0.773,505 0.924,506 0.681,507 0.855,508 0.861,509 1.245,510 0.969,511 1.245,512 0.801,513 1.152,514 1.278,515 0.702,516 0.841,517 0.523,518 1.054,519 0.577,520 0.78,521 1.03,522 0.808,523 0.884,524 0.527,525 0.839,526 0.876,527 0.943,528 1.034,529 0.929,530 0.62,531 0.969,532 0.984,533 1.102,534 1.118,535 1.152,536 0.741,537 1.147,538 0.801,539 1.081,540 1.053,541 1.194,542 0.759,543 1.182,544 8,545 0.346,546 4,547 2.104,548 2.198,549 1.428,550 0.879,551 0.8,552 0.586,553 0.491,554 14734,555 39616,556 2.035,557 46,558 12,559 11,560 1,561 2,562 2,564 1,567 1.768,568 1.88,569 3.468,570 0.206,577 102.081,578 1.62,579 3.782,580 4.793,581 5.199,582 5.199,583 5.199,584 2.918,585 4.735,586 5.05,587 3.66,588 2053.02,589 8.911,590 30707.1,595 376.569,596 1.611,597 4.999,598 0.216,599 0.01,600 0.075,601 0.039,602 0.041,603 0.024,604 0.014,605 0.015,606 0.013,607 0.011,608 0.459,609 0.17,610 0.88,611 1.462,612 179.723,613 -0.057,614 -0.224,615 0.046,616 -0.088,617 -0.088,618 -0.017,619 0.055,620 0.031,621 0.144,622 0.099,623 0.049,624 0.125,625 0.059,626 -0.197,627 -0.034,628 -0.227,629 0.025,630 -0.168,631 -0.139,632 0.142,633 0.204,634 0.373,635 -0.094,636 0.361,637 -0.054,638 -0.032,639 0.102,640 0.092,641 -0.011,642 0.124,643 0.004,644 0.135,645 -0.11,646 0.006,647 0.038,648 -0.054,649 -0.113,650 -0.074,651 -0.192,652 -0.158,653 -0.067,654 -0.18,655 0.066,656 -0.109,657 -0.101,658 -0.192,659 0.032,660 -0.188,661 1.989,662 5.631,663 0.618,664 39.301,665 1.006,666 1.139,667 3.642,668 13.265,669 0.651,670 3.638,671 3.989,672 4.234,673 4.522,674 4.844,675 5.024,676 5.231,677 5.438,678 5.576,679 5.628,680 6.977,681 0.623,682 464.6,683 3.638,684 5.198,685 6.047,686 6.944,687 7.824,688 8.732,689 9.63,690 10.546,691 11.454,692 12.375,693 9.5,698 1,701 1,703 4,708 1,709 8,710 4,714 7,716 22,728 1,733 1,734 1,735 63,737 22,738 1,739 37,741 66,742 25,743 16,744 2,745 4,748 4,749 5,754 5,755 1,762 16,763 9,764 1,781 1,783 29,784 8,785 2,786 9,789 1,792 6,797 0.75,798 2,799 1,806 1,810 1,815 1,816 3,819 1,841 1,843 3,847 4,849 1,851 34,857 1,858 3,860 1,861 1,863 1,865 1,873 1,874 3.2,875 1,879 1,881 18.083,882 12.51,883 7.417,884 3.743,886 4.128,887 1.509,888 0.94,889 7.107,890 12.233,891 3.892,892 4.525,893 5.138,894 5.802,895 6.445,896 6.901,897 7.435,898 7.968,899 8.376,900 8.736,901 0.875,902 54,903 12.577,905 5.325,906 7.806,907 23.837,909 19.355,911 2.306,912 78.417,916 317.82,917 145.528,918 86.439,920 53.683,921 14.96,923 145.528,924 371.503,925 101.399,926 35.301,927 6.698,928 99.112,929 110.41,930 48.201,931 36.202,932 282.506,934 317.82,935 231.968,936 68.643,939 321.009,940 22.771,941 42.683,943 70.508,944 76.307,945 85.153,947 332.78,948 140.123,949 145.528,952 317.82,953 35.704,954 111.111,955 18.011,956 135.785,957 317.82,958 155.083,959 145.528,961 0.586,962 0.325,963 0.165,964 0.103,965 25,966 12,967 0.136,968 9,969 1,970 1.095,971 4.271,972 328.131,973 0.095,974 21,975 164.974,981 24.06,982 10.043,983 5.541,984 0.548,985 153.796,986 13.113,987 18.255,991 3.244,993 60.694,994 618.431,995 48,1007 63.381,1008 71.731,1009 0.271,1010 0.633,1011 0.802,1012 0.87,1013 0.87,1014 0.87,1015 5.145,1016 1.818,1017 6.071,1018 5.728,1019 4.673,1020 5.212,1021 1.029,1022 6.925,1023 4.566,1024 6.377,1025 1.526,1026 7.661,1027 5.03,1028 4.443,1029 5.112,1031 8.085,1032 4.322,1033 7.706,1034 1.295,1035 9.356,1036 4.036,1037 6.347,1038 7.468,1039 0.763,1040 11.114,1041 6.156,1042 9.073,1043 1.128,1044 11.116,1045 3.511,1046 6.909,1047 8.189,1049 13.079,1050 6.706,1051 10.472,1052 1,1053 12.917,1054 2.672,1055 8.335,1056 10.056,1057 0.597,1058 15.707,1059 8.077,1060 11.894,1061 0.891,1062 14.748,1063 2.275,1064 9.239,1065 11.185,1067 17.976,1068 8.963,1069 13.336,1070 0.719,1071 16.599,1072 2.244,1073 10.497,1074 12.851,1075 0.47,1076 20.49,1077 10.177,1078 3.353,1079 0.428,1080 18.466,1081 1.617,1082 11.555,1083 14.192,1085 22.881,1086 11.209,1087 3.179,1088 12.229,1089 20.345,1090 1.03,1091 12.755,1092 15.776,1093 0.367,1094 25.364,1095 12.37,1096 2.765,1097 10.767,1098 22.235,1099 4.724,1100 13.882,1101 17.224,1103 27.807,1104 13.466,1105 2.656,1106 9.324,1107 24.132,1108 3.792,1109 15.066,1110 18.778,1111 0.283,1112 30.285,1113 14.612,1114 2.386,1115 8.205,1116 26.037,1117 3.667,1118 16.225,1119 20.278,1121 32.751,1122 15.736,1123 2.198,1124 7,1125 27.946,1126 3.236,1127 17.407,1128 21.823,1129 0.217,1130 35.233,1131 16.88,1132 2.123,1133 6.015,1134 29.86,1135 3.15,1136 18.582,1137 23.349,1139 37.711,1140 18.017,1141 14501,1142 23977,1143 24.156,1144 41.017,1145 55.964,1146 57.25,1147 57.666,1148 55.495,1149 55.609,1150 72.236,1151 2.52,1152 164.318,1153 52.501,1154 5.631,1155 5.386,1156 6.615,1157 5.375,1158 5.353,1159 7.724,1160 1.72,1161 19.757,1162 5.179,1163 19.773,1164 1.513,1165 1.547,1166 1.559,1167 1.5,1168 1.503,1169 1.952,1170 0.068,1171 4.441,1172 1.419,1173 4.158,1174 4.201,1175 4.142,1176 4.008,1177 8.201,1178 4.035,1179 3.855,1180 3.901,1181 3.806,1182 3.758,1183 6.456,1184 3.766,1185 3.839,1186 3.883,1187 3.775,1188 3.675,1189 5.152,1190 3.683,1191 3.727,1192 3.78,1193 3.616,1194 3.578,1195 4.958,1196 3.586,1197 3.671,1198 3.735,1199 3.518,1200 3.525,1201 4.671,1202 3.515,1203 3.281,1204 3.335,1205 3.234,1206 3.111,1207 4.47,1208 3.133,1209 3.118,1210 3.206,1211 2.978,1212 2.873,1213 4.311,1214 2.888,1215 3.047,1216 3.1,1217 2.915,1218 2.805,1219 4.261,1220 2.823,1221 0.129,1222 0.092,1223 0.191,1224 0.116,1225 0.091,1226 4.767,1227 0.128,1228 3.386,1229 0.023,1230 7.065,1231 0.331,1232 4.3,1233 0.086,1234 3.353,1235 4.724,1236 0.86,1237 12.229,1238 3.179,1239 1.925,1240 1.898,1241 2.012,1242 2.08,1243 1.286,1244 2.05,1245 1.853,1246 1.812,1247 1.994,1248 1.996,1249 1.212,1250 1.986,1251 1.786,1252 1.734,1253 1.972,1254 1.967,1255 1.116,1256 1.975,1257 1.704,1258 1.655,1259 1.901,1260 1.879,1261 0.983,1262 1.9,1263 1.657,1264 1.597,1265 1.776,1266 1.84,1267 0.774,1268 1.838,1269 1.275,1270 1.236,1271 1.417,1272 1.47,1273 0.55,1274 1.447,1275 1.069,1276 0.978,1277 1.417,1278 1.354,1279 0.469,1280 1.356,1281 0.94,1282 0.88,1283 1.417,1284 1.3,1285 0.469,1286 1.315,1287 4.317,1289 5.659,1290 2.398,1291 7.188,1292 4.844,1293 8.801,1294 7.081,1295 10.463,1297 8.03,1299 13.631,1302 9.544,1303 1.04,1305 3.199,1306 5.929,1308 0.326,1310 -0.323,1314 39.263,1315 102.081,1316 238.248,1317 301.939,1318 327.549,1319 327.549,1320 327.549,1321 70.693,1322 8.105,1323 97.46,1324 97.46,1325 23,1326 12.886,1327 4.524,1328 3.585,1329 56.397,1330 133,1331 164,1332 0.199,1333 241.688,1334 411.27,1335 581.478,1336 36274,1337 1.6,1338 24.294,1339 0.715,1340 0.582,1341 23.424,1342 19.787,1343 16.27,1344 0.44,1345 0.303,1346 11.025,1347 15.544,1348 10.62,1349 8.939,1350 15.876,1351 11.212,1352 15.336,1353 0.289,1354 0.177,1355 14.714,1356 9.388,1357 12.136,1358 0.178,1359 0.077,1360 11.725,1361 5.232,1362 9.569,1363 0.105,1364 0.036,1365 9.418,1366 3.305,1367 8.514,1368 0.068,1369 0.019,1370 8.284,1371 2.368,1372 0.305,1373 102.818,1374 0.203,1375 30.966,1376 0.568,1377 180,1378 570.555,1379 201.163,1380 524.756,1381 717.32,1382 492,1383 211,1384 531.43,1385 233.796,1386 533.188,1387 785.89,1388 499,1389 5.1}
{0 CHEMBL1985074,1 1.818,2 6.889,3 2.934,4 8.607,5 74.105,6 9.613,7 0.55,8 3.493,9 3.583,10 3.34,11 3.2,12 4.611,13 3.137,14 4.014,15 4.148,16 3.719,17 3.602,18 5.133,19 3.518,20 4.222,21 4.373,22 3.895,23 3.731,24 5.41,25 3.644,26 4.207,27 4.355,28 3.826,29 3.655,30 5.414,31 3.543,32 4.066,33 4.234,34 3.761,35 3.456,36 5.327,37 3.321,38 3.795,39 3.984,40 3.134,41 3.152,42 4.888,43 2.996,44 3.661,45 3.88,46 2.7,47 2.904,48 4.647,49 2.673,50 3.192,51 3.426,52 2.414,53 2.44,54 4.009,55 2.192,56 0.036,57 0.402,58 3.744,59 2.48,60 4.441,61 2.851,62 0.142,63 0.69,64 12.131,65 5.109,66 13.041,67 5.591,68 0.215,69 0.817,70 14.345,71 6.062,72 25.735,73 6.798,74 0.26,75 0.739,76 17.203,77 5.943,78 32.044,79 6.331,80 0.33,81 0.622,82 20.701,83 5.682,84 39.436,85 6.08,86 0.129,87 0.497,88 11.099,89 4.259,90 17.637,91 4.974,92 0.202,93 0.456,94 14.844,95 4.281,96 23.951,97 4.301,98 0.079,99 0.302,100 9.232,101 3.096,102 6.179,103 3.362,104 11,105 29,106 0.348,107 0.737,108 0.84,109 0.871,110 0.871,111 0.871,112 2.963,113 1.088,114 -3.73,115 -3.69,116 -3.51,119 44.8,121 1,124 1,125 1,142 3,143 2,144 2,146 2,158 1,172 3,175 3,178 1,180 1,183 7,187 1,188 4,191 1,193 1,196 8,200 2,208 3,213 4,218 3,221 5,225 2,230 2,233 2,250 1,255 1,276 264,277 12.232,278 12.232,279 12.232,280 12.232,281 12.232,282 10.828,283 10.33,284 6.987,285 12.693,286 9.777,287 9.777,288 9.777,289 9.777,290 9.777,291 7.463,292 8.139,293 3.21,294 10.401,295 3.04,296 1.006,297 0.466,298 0.302,299 0.302,300 0.302,301 3.639,302 1,305 1,306 1,307 267,308 2.121,312 93.864,316 103.591,319 1.123,320 17.699,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 38.333,332 124,333 4.668,334 4.329,335 6.847,336 4.217,337 3.255,338 4.593,339 2.95,340 11.322,341 3.12,342 4.112,343 3.654,344 6.198,345 3.716,346 2.734,347 3.654,348 1.058,349 9.063,350 2.679,351 3.659,352 3.276,353 5.539,354 3.232,355 2.308,356 3.018,358 6.958,359 2.107,360 3.52,361 2.614,362 5.221,363 3.061,364 2.133,365 2.907,367 6.474,368 1.954,369 3.031,370 2.361,371 4.668,372 2.574,373 1.602,374 2.17,376 4.588,377 1.537,378 2.547,379 2.188,380 3.958,381 2.35,382 1.388,383 1.555,385 3.27,386 1.327,387 2.278,388 1.64,389 3.632,390 1.844,391 0.909,392 1.201,394 2.237,395 0.804,396 1.736,397 1.195,398 3.077,399 1.349,400 0.559,401 0.631,403 0.99,404 0.42,405 1.463,406 1.091,407 2.786,408 1.055,409 0.153,410 0.187,412 0.334,413 0.121,414 1.129,415 0.738,416 2.615,417 0.652,418 -0.278,419 -0.374,421 -0.602,422 -0.252,423 0.785,424 0.079,425 2.343,426 0.444,427 -0.529,428 -0.615,430 -1.276,431 -0.481,432 0.575,433 -0.424,434 2.167,435 0.09,436 -0.832,437 -1.145,439 -2.408,440 -0.706,441 0.243,442 -0.594,443 1.844,444 -0.123,445 -1.053,446 -1.303,448 -2.918,449 -0.932,450 -0.069,451 -0.81,452 1.62,453 -0.354,454 -1.334,455 -1.72,457 -3.424,458 -1.187,459 -0.191,460 -1.153,461 1.316,462 -0.69,463 -1.494,464 -1.884,466 -4.205,467 -1.346,468 9.181,469 0.51,470 0.469,471 0.026,472 23.5,473 1.306,474 12,475 0.667,476 11.5,477 0.639,478 13.968,479 0.776,480 18.419,481 0.635,482 13.95,483 0.775,484 4.222,485 0.235,486 4.481,487 0.249,488 0.169,490 0.381,496 0.63,497 1.03,498 0.584,499 0.734,500 0.534,501 0.748,502 0.63,503 1.044,504 0.848,505 0.944,506 0.521,507 0.805,508 0.852,509 0.959,510 0.819,511 0.834,512 0.83,513 0.826,514 1.39,515 1.014,516 1.259,517 1.013,518 1.358,519 1.074,520 1.119,521 0.969,522 1.077,523 1.022,524 1.211,525 1.05,526 1.034,527 1.124,528 1.02,529 1.078,530 0.982,531 1.211,532 1.518,533 0.919,534 1.623,535 1.305,536 1.425,537 1.307,538 0.32,539 1.406,540 1.081,541 1.726,542 0.498,543 1.373,544 3.5,546 2.444,547 1.438,548 1.702,549 0.611,550 0.241,551 0.134,552 0.057,553 0.016,554 2480,555 8148,556 2.086,557 37.9,559 8,562 1,564 2,567 1.592,568 1.929,569 2.798,570 -0.225,572 1,574 1,577 52.722,578 1.818,579 3.852,580 4.392,581 4.556,582 4.556,583 4.556,584 2.288,585 3.503,586 4.142,587 2.854,588 436.653,589 7.058,590 3916.98,591 1,592 1,593 1,594 1,595 140.881,596 1.481,597 4.09,598 0.175,600 0.084,601 0.045,602 0.065,603 0.031,604 0.019,605 0.019,606 0.014,607 0.008,608 0.46,609 0.83,610 1,611 0.894,612 73.854,613 -0.055,614 -0.005,615 0.023,616 0.064,617 -0.045,618 0.05,619 0.06,620 -0.001,621 -0.035,622 0.002,623 0.073,624 0.084,625 0.05,626 0.04,627 0.028,628 0.056,629 0.043,630 0.07,631 -0.194,632 -0.066,633 -0.169,634 -0.114,635 -0.206,636 -0.173,637 0.125,638 -0.065,639 0.102,640 -0.05,641 0.05,642 -0.077,643 -0.107,644 -0.227,645 -0.107,646 -0.159,647 -0.018,648 -0.229,649 -0.38,650 0.085,651 -0.403,652 -0.167,653 -0.293,654 -0.262,655 0.274,656 -0.442,657 0.036,658 -0.418,659 0.133,660 -0.205,661 1.797,662 4.768,663 0.778,664 9.852,665 1.012,666 1.108,667 2.496,668 6.229,669 0.751,670 3.045,671 3.401,672 3.738,673 4.025,674 4.331,675 4.407,676 4.511,677 4.585,678 4.644,679 4.382,680 4.098,681 0.704,682 278.78,683 3.045,684 4.595,685 5.476,686 6.378,687 7.28,688 8.188,689 9.096,690 10.007,691 10.918,692 11.83,693 6.9,700 1,703 1,708 2,709 3,710 1,714 4,716 11,723 1,734 1,735 29,737 12,738 1,739 20,741 31,742 13,743 9,744 3,745 3,746 1,748 3,749 6,750 1,757 1,760 1,762 10,763 3,767 1,772 1,776 1,780 1,783 11,784 3,785 1,786 5,787 2,792 2,797 0.333,798 1,809 1,816 3,820 2,843 1,844 1,845 1,847 1,848 1,851 18,858 2,860 1,862 1,873 1,874 3.4,877 1,881 9.333,882 5.676,883 3.972,884 1.705,886 2.515,887 1.373,888 1.019,889 3.019,890 9.265,891 3.314,892 3.98,893 4.654,894 5.291,895 5.946,896 6.338,897 6.744,898 7.102,899 7.424,900 7.263,901 0.8,902 32,903 6.656,905 2.891,906 7.784,907 12.703,909 10.66,911 2.284,912 41.111,913 0.001,916 117.711,917 92.894,918 34.796,919 39.149,920 25.145,922 32.22,923 60.675,924 182.005,925 34.796,926 7.19,927 22.651,928 28.429,929 46.635,930 15.711,932 149.931,933 39.149,934 117.711,935 95.471,936 25.145,937 71.368,939 94.169,940 48.687,943 27.552,944 51.134,945 55.934,946 32.22,947 117.711,948 59.941,949 132.043,952 117.711,953 57.275,954 35.619,955 18.011,956 81.079,957 117.711,958 59.941,959 132.043,961 0.588,962 0.366,963 0.2,964 0.116,965 16,966 7,967 0.032,968 1,969 2,970 1.286,971 2.942,972 137.907,973 0.286,974 14,975 75.059,977 1,981 11.969,982 4.54,983 1.941,984 1.7,985 59.941,986 5.931,987 4.427,991 3.147,993 18.011,994 309.695,995 26.5,1000 11.768,1004 -0.131,1007 29.349,1008 32.146,1009 0.374,1010 0.793,1011 0.904,1012 0.938,1013 0.938,1014 0.938,1015 4.562,1016 0.559,1017 5.485,1018 2.237,1019 4.078,1020 4.663,1021 3.027,1022 6.354,1023 3.97,1024 5.799,1025 0.153,1026 7.084,1027 0.99,1028 3.761,1029 4.677,1031 7.365,1032 3.608,1033 7.143,1034 -0.278,1035 8.784,1036 0.334,1037 5.727,1038 6.99,1039 5.043,1040 10.501,1041 5.548,1042 8.525,1043 -0.529,1044 10.541,1045 -0.602,1046 6.217,1047 7.812,1049 12.311,1050 5.984,1051 9.938,1052 -0.832,1053 12.334,1054 -1.276,1055 7.675,1056 9.636,1057 7.187,1058 14.987,1059 7.426,1060 11.374,1061 -1.053,1062 14.152,1063 -2.408,1064 8.534,1065 10.826,1067 17.136,1068 8.233,1069 12.828,1070 -1.334,1071 15.988,1072 -2.918,1073 9.801,1074 12.464,1075 9.348,1076 19.65,1077 9.478,1078 3.255,1079 -1.494,1080 17.838,1081 -3.424,1082 10.83,1083 13.831,1085 21.948,1086 10.459,1087 2.734,1088 11.322,1089 19.698,1090 -4.205,1091 12.027,1092 15.395,1093 11.511,1094 24.403,1095 11.626,1096 2.308,1097 9.063,1098 21.568,1099 4.593,1100 13.134,1101 16.844,1103 26.768,1104 12.686,1105 2.133,1106 6.958,1107 23.445,1108 3.654,1109 14.309,1110 18.38,1111 13.675,1112 29.202,1113 13.824,1114 1.602,1115 6.474,1116 25.328,1117 3.018,1118 15.451,1119 19.868,1121 31.598,1122 14.92,1123 1.388,1124 4.588,1125 27.217,1126 2.907,1127 16.621,1128 21.394,1129 15.838,1130 34.024,1131 16.05,1132 0.909,1133 3.27,1134 29.11,1135 2.17,1136 17.78,1137 22.9,1139 36.434,1140 17.163,1141 2473,1142 4563,1143 13.235,1144 21.779,1145 30.177,1146 34.832,1147 31.88,1148 30.055,1149 30.083,1150 39.832,1151 8.017,1152 90.472,1153 28.139,1154 5.613,1155 6.329,1156 6.394,1157 5.264,1158 5.255,1159 7.593,1160 5.9,1161 18.923,1162 5.12,1163 8.433,1164 1.509,1165 1.742,1166 1.594,1167 1.503,1168 1.504,1169 1.992,1170 0.401,1171 4.524,1172 1.407,1173 4.1,1174 4.119,1175 4.181,1176 4.046,1177 7.429,1178 4.042,1179 3.717,1180 3.756,1181 3.849,1182 3.628,1183 5.026,1184 3.611,1185 3.297,1186 3.349,1187 3.538,1188 3.241,1189 4.564,1190 3.162,1191 3.165,1192 3.195,1193 3.409,1194 3.026,1195 4.328,1196 3.017,1197 3.083,1198 3.155,1199 2.979,1200 2.912,1201 4.068,1202 2.894,1203 2.862,1204 2.924,1205 2.828,1206 2.668,1207 3.793,1208 2.674,1209 2.587,1210 2.651,1211 2.654,1212 2.451,1213 3.612,1214 2.44,1215 2.343,1216 2.39,1217 2.447,1218 2.17,1219 3.368,1220 2.148,1221 0.233,1222 0.216,1223 0.342,1224 0.211,1225 0.163,1226 4.668,1227 0.23,1228 4.329,1229 0.148,1230 6.847,1231 0.566,1232 4.217,1233 0.156,1234 3.255,1235 4.593,1236 2.95,1237 11.322,1238 3.12,1239 2.051,1240 2.035,1241 2.091,1242 2.13,1243 1.308,1244 2.126,1245 1.688,1246 1.654,1247 1.84,1248 1.836,1249 1.072,1250 1.845,1251 1.273,1252 1.224,1253 1.523,1254 1.434,1255 0.679,1256 1.51,1257 1.11,1258 1.061,1259 1.32,1260 1.298,1261 0.491,1262 1.317,1263 1.05,1264 1.003,1265 1.202,1266 1.29,1267 0.233,1268 1.272,1269 0.826,1270 0.767,1271 1.092,1272 1.046,1273 0.184,1274 1.068,1275 0.586,1276 0.525,1277 0.829,1278 0.786,1280 0.809,1281 0.228,1282 0.173,1283 0.507,1284 0.447,1286 0.48,1287 3.714,1289 5.056,1291 6.627,1293 8.303,1295 10.035,1297 2.022,1298 6.425,1303 1.368,1305 2.788,1307 1.665,1314 20.406,1315 52.722,1316 111.72,1317 127.372,1318 132.127,1319 132.127,1320 132.127,1321 26.135,1322 6.75,1323 41.99,1324 67.29,1325 18,1326 12.344,1327 3.7,1328 2.907,1329 25.569,1330 47,1331 46,1332 0.305,1333 132.775,1334 223.25,1335 315.731,1336 6400,1337 3.4,1338 12.698,1339 0.705,1340 0.631,1341 13.552,1342 11.36,1343 8.703,1344 0.435,1345 0.363,1346 5.736,1347 7.714,1348 5.421,1349 4.456,1350 9.549,1351 7.251,1352 7.842,1353 0.27,1354 0.186,1355 8.668,1356 5.4,1357 7.137,1358 0.174,1359 0.104,1360 8.04,1361 4.256,1362 5.919,1363 0.108,1364 0.054,1365 6.671,1366 2.946,1367 5.112,1368 0.068,1369 0.029,1370 5.888,1371 2.169,1372 0.447,1373 62.408,1374 0.275,1375 17.433,1376 0.931,1377 98,1378 288.777,1379 138.45,1380 332.035,1381 443.26,1382 310,1383 119,1384 287.72,1385 152.264,1386 314.181,1387 465.42,1388 295,1389 5.1}
{0 CHEMBL1985092,1 1.636,2 9.185,3 5.821,4 33.884,5 106.888,6 8.787,7 0.767,8 3.89,9 3.988,10 3.586,11 3.509,12 5.13,13 3.498,14 4.316,15 4.427,16 3.96,17 3.891,18 5.546,19 3.861,20 4.58,21 4.742,22 3.984,23 3.982,24 5.749,25 3.923,26 4.605,27 4.801,28 3.947,29 3.929,30 5.705,31 3.869,32 4.584,33 4.79,34 3.935,35 3.938,36 5.656,37 3.888,38 4.577,39 4.76,40 3.981,41 3.969,42 5.713,43 3.916,44 4.619,45 4.802,46 3.991,47 3.991,48 5.824,49 3.91,50 4.603,51 4.809,52 3.803,53 3.919,54 5.721,55 3.801,56 0.114,57 0.591,58 6.584,59 3.48,60 13.46,61 3.855,62 0.09,63 0.904,64 10.224,65 5.655,66 11.038,67 6.704,68 0.272,69 1.141,70 19.315,71 7.829,72 35.314,73 9.204,74 0.319,75 1.205,76 21.008,77 7.839,78 38.68,79 9.63,80 0.288,81 1.243,82 20.83,83 7.242,84 30.979,85 9.049,86 0.308,87 1.207,88 17.558,89 7.065,90 28.758,91 8.688,92 0.411,93 1.151,94 19.989,95 8.435,96 41.499,97 10.698,98 0.298,99 1.088,100 22.417,101 9.088,102 37.718,103 11.503,104 10,105 42,106 0.28,107 0.535,108 0.67,109 0.793,110 0.825,111 0.849,112 3.341,113 0.868,114 -5.12,115 -5.02,116 -4.7,119 48.8,142 12,143 3,144 4,147 1,152 1,168 1,172 11,175 1,178 1,180 9,183 16,188 2,192 1,193 9,196 11,200 6,205 11,208 9,213 5,218 9,221 11,225 2,229 1,230 4,233 17,241 2,242 2,243 4,246 17,254 1,255 4,258 14,269 6,272 10,276 1268,277 18.309,278 18.309,279 18.309,280 18.309,281 18.309,282 15.484,283 15.401,284 10.793,285 18.65,286 14.825,287 14.825,288 14.825,289 14.825,290 14.825,291 10.719,292 21.733,293 5.174,294 15.46,295 3.791,296 2.298,297 1.512,298 0.791,299 0.605,300 0.465,301 4.038,302 1,306 1,307 537,308 2.345,311 74.607,312 256.036,319 1.465,320 23.911,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 57.833,332 248,333 4.596,334 3.278,335 6.909,336 4.221,337 3.241,338 4.322,339 0.4,340 11.628,341 3.178,342 4.062,343 2.981,344 5.892,345 3.645,346 2.683,347 3.664,349 8.217,350 2.599,351 4.016,352 2.733,353 5.564,354 3.581,355 2.61,356 3.628,358 7.556,359 2.505,360 3.839,361 2.645,362 5.249,363 3.376,364 2.417,365 3.405,367 6.543,368 2.309,369 3.505,370 2.473,371 5.033,372 3.113,373 2.17,374 2.823,376 6.011,377 2.044,378 3.364,379 2.261,380 4.933,381 2.962,382 2.03,383 2.643,385 5.701,386 1.869,387 3.192,388 1.964,389 4.691,390 2.726,391 1.796,392 2.451,394 5.041,395 1.606,396 2.721,397 1.393,398 4.338,399 2.241,400 1.287,401 1.813,403 3.709,404 1.208,405 2.629,406 1.212,407 3.751,408 2.137,409 1.159,410 1.687,412 2.587,413 1.121,414 2.5,415 1,416 3.481,417 2,418 1,419 1.5,421 2.339,422 1,423 2.5,424 1,425 3.414,426 2,427 1,428 1.5,430 2.275,431 1,432 2.363,433 0.929,434 3.414,435 1.875,436 0.895,437 1.3,439 2.275,440 0.875,441 1.368,442 0.325,443 2.981,444 1.066,445 0.113,446 0.135,448 0.286,449 0.107,450 1.096,451 0.208,452 2.561,453 0.708,454 -0.233,455 -0.296,457 -0.565,458 -0.213,459 1.061,460 0.041,461 2.333,462 0.664,463 -0.272,464 -0.343,466 -0.602,467 -0.25,468 13.081,469 0.484,470 0.661,471 0.024,472 40.25,473 1.491,474 23.5,475 0.87,476 16.75,477 0.62,478 18.188,479 0.674,480 27.119,481 0.631,482 29.841,483 1.105,484 8.151,485 0.302,486 4.946,487 0.183,488 0.106,490 0.344,496 0.912,497 0.85,498 0.622,499 0.692,500 0.979,501 0.699,502 0.654,503 1.195,504 0.682,505 1.011,506 0.569,507 0.96,508 1.034,509 1.16,510 1.027,511 1.079,512 0.999,513 1.071,514 0.915,515 1.212,516 0.859,517 0.972,518 0.809,519 0.97,520 0.853,521 1.091,522 0.887,523 0.844,524 0.53,525 0.854,526 0.757,527 1.042,528 0.782,529 0.914,530 0.605,531 0.962,532 0.602,533 0.902,534 0.793,535 0.983,536 0.737,537 1.027,538 0.808,539 0.899,540 0.971,541 1.06,542 0.871,543 1.107,544 5.5,545 0.153,546 2.889,547 1.75,548 1.527,549 0.876,550 0.612,551 0.511,552 0.336,553 0.215,554 8365,555 26557,556 2.12,557 37.2,559 12,562 4,567 1.709,568 2,569 3.208,570 1.661,577 70.336,578 1.636,579 3.129,580 3.914,581 4.636,582 4.822,583 4.961,584 2.696,585 4.208,586 4.722,587 3.374,588 1184.32,589 8.243,590 15019.2,595 233.329,596 1.352,597 4.694,598 0.183,599 0.011,600 0.069,601 0.043,602 0.039,603 0.021,604 0.015,605 0.013,606 0.011,607 0.009,608 0.414,610 1,611 0.528,612 131.815,613 -0.106,614 0.216,615 -0.017,616 0.164,617 -0.198,618 0.105,619 0.007,620 -0.161,621 -0.017,622 -0.133,623 0.037,624 -0.113,625 -0.119,626 -0.155,627 -0.141,628 -0.142,629 -0.115,630 -0.15,631 -0.067,632 -0.166,633 0.001,634 -0.041,635 -0.061,636 -0.019,637 -0.131,638 0.029,639 -0.04,640 0.057,641 -0.026,642 0.076,643 -0.017,644 0.057,645 -0.039,646 -0.027,647 -0.011,648 -0.059,649 0.239,650 0.072,651 0.054,652 -0.02,653 0.114,654 -0.051,655 0.022,656 0.006,657 -0.004,658 -0.039,659 0.017,660 -0.058,661 1.474,662 3.625,663 0.852,664 24.335,665 1.011,666 1.111,667 3.895,668 15.17,669 0.724,670 3.434,671 3.761,672 4.025,673 4.317,674 4.564,675 4.654,676 4.804,677 4.97,678 5.056,679 5.056,680 5.863,681 0.698,682 377.85,683 3.434,684 4.977,685 5.826,686 6.708,687 7.579,688 8.47,689 9.352,690 10.249,691 11.139,692 12.039,693 7,701 2,703 1,709 12,710 1,711 1,714 9,716 23,728 1,732 2,734 1,735 43,737 23,738 3,739 30,741 46,742 21,743 21,744 6,745 12,748 4,749 4,750 1,762 21,783 16,784 4,785 4,786 6,787 1,792 3,797 1,798 2,807 1,815 1,816 3,843 4,848 1,851 27,857 2,860 1,873 1,874 4.7,876 2,881 13.5,882 7.493,883 5.861,884 2.34,886 3.377,887 1.457,888 0.993,889 4.857,890 10.761,891 3.75,892 4.391,893 4.984,894 5.597,895 6.135,896 6.419,897 6.858,898 7.333,899 7.737,900 8.039,901 1,902 41,903 9.888,905 4.242,906 7.837,907 18.609,909 15.269,911 2.337,912 63.111,916 141.253,917 134.614,918 51.337,919 39.149,920 85.367,923 134.614,924 265.769,925 51.337,928 113.715,929 102.03,930 50.488,931 5.085,932 141.253,933 39.149,934 141.253,935 185.95,936 85.367,937 39.149,939 141.253,940 85.367,943 34.674,944 134.614,945 55.812,947 141.253,948 136.703,949 173.762,952 141.253,953 20.899,954 113.715,955 34.674,956 141.178,957 141.253,958 136.703,959 173.762,961 0.583,962 0.331,963 0.18,964 0.105,965 21,966 9,967 0.087,968 4,970 1,971 3.85,972 238.109,974 23,975 120.382,981 17.613,982 7.446,983 3.83,985 120.04,986 21.184,987 4.435,988 3.068,991 5.861,993 120.04,994 451.719,995 41.5,1007 43.469,1008 47.764,1009 0.301,1010 0.577,1011 0.721,1012 0.854,1013 0.889,1014 0.914,1015 4.968,1016 1.287,1017 5.808,1018 5.041,1019 4.443,1020 5.078,1021 0.278,1022 6.611,1023 4.365,1024 6.19,1025 1.159,1026 7.357,1027 3.709,1028 4.007,1029 4.808,1031 7.499,1032 3.843,1033 7.495,1034 1,1035 9.004,1036 2.587,1037 6.023,1038 7.289,1039 0.05,1040 10.619,1041 5.89,1042 8.836,1043 1,1044 10.712,1045 2.339,1046 6.399,1047 7.825,1049 12.414,1050 6.204,1051 10.207,1052 0.895,1053 12.462,1054 2.275,1055 7.888,1056 9.756,1057 0.008,1058 15.072,1059 7.712,1060 11.6,1061 0.113,1062 14.245,1063 2.275,1064 8.655,1065 10.697,1067 17.262,1068 8.44,1069 13.011,1070 -0.233,1071 16.053,1072 0.286,1073 9.932,1074 12.376,1075 0.001,1076 19.776,1077 9.721,1078 3.241,1079 -0.272,1080 17.883,1081 -0.565,1082 10.898,1083 13.541,1085 22.128,1086 10.661,1087 2.683,1088 11.628,1089 19.73,1090 -0.602,1091 12.091,1092 15.095,1094 24.598,1095 11.849,1096 2.61,1097 8.217,1098 21.593,1099 4.322,1100 13.158,1101 16.386,1103 27.012,1104 12.896,1105 2.417,1106 7.556,1107 23.467,1108 3.664,1109 14.324,1110 17.88,1112 29.469,1113 14.051,1114 2.17,1115 6.543,1116 25.352,1117 3.628,1118 15.441,1119 19.243,1121 31.907,1122 15.151,1123 2.03,1124 6.011,1125 27.246,1126 3.405,1127 16.6,1128 20.711,1130 34.36,1131 16.297,1132 1.796,1133 5.701,1134 29.147,1135 2.823,1136 17.743,1137 22.114,1139 36.807,1140 17.423,1141 7988,1142 14341,1143 20.285,1144 31.114,1145 45.373,1146 44.995,1147 46.5,1148 45.1,1149 44.801,1150 61.744,1151 0.8,1152 128.334,1153 42.839,1154 5.377,1155 5.278,1156 6.466,1157 5.261,1158 5.241,1159 7.322,1160 0.8,1161 18.846,1162 5.178,1163 11.899,1164 1.512,1165 1.5,1166 1.55,1167 1.503,1168 1.493,1169 2.058,1170 0.027,1171 4.278,1172 1.428,1173 4.078,1174 4.114,1175 4.061,1176 3.986,1177 6.474,1178 3.994,1179 3.883,1180 3.909,1181 3.96,1182 3.827,1183 6.468,1184 3.82,1185 3.851,1186 3.873,1187 3.793,1188 3.787,1189 5.041,1190 3.784,1191 3.661,1192 3.71,1193 3.627,1194 3.491,1195 4.918,1196 3.516,1197 3.042,1198 3.108,1199 3.321,1200 2.871,1201 4.574,1202 2.878,1203 2.918,1204 2.944,1205 2.908,1206 2.786,1207 4.544,1208 2.766,1209 2.878,1210 2.925,1211 2.833,1212 2.735,1213 4.348,1214 2.744,1215 2.854,1216 2.925,1217 2.737,1218 2.735,1219 3.88,1220 2.715,1221 0.153,1222 0.109,1223 0.23,1224 0.141,1225 0.108,1226 4.596,1227 0.144,1228 3.278,1229 0.013,1230 6.909,1231 0.388,1232 4.221,1233 0.106,1234 3.241,1235 4.322,1236 0.4,1237 11.628,1238 3.178,1239 1.953,1240 1.934,1241 2.037,1242 2.029,1243 1.166,1244 2.033,1245 1.879,1246 1.854,1247 1.972,1248 1.974,1249 1.059,1250 1.978,1251 1.848,1252 1.827,1253 1.955,1254 1.936,1255 1.033,1256 1.944,1257 1.363,1258 1.341,1259 1.443,1260 1.616,1261 0.593,1262 1.557,1263 1.254,1264 1.17,1265 1.378,1266 1.502,1267 0.318,1268 1.487,1269 0.886,1270 0.824,1271 1.181,1272 1.105,1273 0.218,1274 1.107,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.875,1282 0.821,1283 1.114,1284 1.062,1285 0.169,1286 1.099,1287 4.111,1289 5.434,1290 2.398,1291 6.946,1292 4.727,1293 8.543,1294 6.843,1295 10.186,1298 6.082,1302 19.193,1305 3.289,1314 30.009,1315 70.336,1316 134.535,1317 168.31,1318 199.329,1319 207.329,1320 213.329,1321 40.579,1322 7.384,1323 81.17,1324 81.17,1325 23,1326 12.563,1327 4.585,1328 3.644,1329 39.823,1330 88,1331 103,1332 0.209,1333 187.143,1334 315.57,1335 448.389,1336 14350,1337 2.3,1338 18.803,1339 0.696,1340 0.552,1341 19.303,1342 14.904,1343 13.097,1344 0.437,1345 0.289,1346 8.25,1347 12.456,1348 8.058,1349 6.675,1350 13.386,1351 8.675,1352 11.992,1353 0.286,1354 0.154,1355 12.4,1356 6.488,1357 9.861,1358 0.179,1359 0.08,1360 10.124,1361 4.401,1362 8.287,1363 0.112,1364 0.042,1365 8.556,1366 3.072,1367 6.879,1368 0.072,1369 0.022,1370 7.045,1371 2.055,1372 0.319,1373 84.231,1374 0.222,1375 25.532,1376 0.607,1377 144,1378 410.814,1379 169.278,1380 439.307,1381 595.35,1382 408,1383 169,1384 424.628,1385 188.52,1386 443.142,1387 643.11,1388 418,1389 5.3}
{0 CHEMBL1985095,1 1.672,2 10.25,3 3.655,4 13.357,5 126.486,6 8.97,7 0.811,8 4.049,9 4.162,10 3.815,11 3.683,12 5.264,13 3.668,14 4.523,15 4.653,16 4.24,17 4.121,18 5.741,19 4.083,20 4.719,21 4.87,22 4.25,23 4.233,24 5.854,25 4.16,26 4.788,27 4.966,28 4.26,29 4.252,30 5.85,31 4.17,32 4.783,33 4.967,34 4.263,35 4.212,36 5.901,37 4.145,38 4.762,39 4.923,40 4.244,41 4.206,42 5.98,43 4.151,44 4.837,45 5.044,46 4.236,47 4.17,48 5.973,49 4.113,50 4.773,51 4.979,52 4.11,53 4.087,54 5.95,55 4.011,56 0.108,57 0.814,58 7.279,59 3.772,60 13.707,61 3.993,62 0.239,63 1.294,64 13.377,65 6.691,66 30.904,67 7.419,68 0.361,69 1.517,70 20.025,71 8.997,72 37.37,73 9.659,74 0.236,75 1.611,76 24.596,77 10.251,78 26.148,79 11.783,80 0.318,81 1.607,82 24.241,83 9.633,84 34.678,85 10.856,86 0.32,87 1.577,88 19.957,89 8.999,90 41.941,91 10.341,92 0.418,93 1.723,94 25.303,95 9.397,96 41.573,97 11.124,98 0.36,99 1.546,100 22.544,101 9.238,102 55.012,103 10.964,104 12,105 55,106 0.273,107 0.646,108 0.804,109 0.889,110 0.896,111 0.896,112 3.503,113 0.871,114 -3.2,115 -3.19,116 -3.06,119 46.9,125 1,142 7,143 5,145 2,146 1,150 1,151 1,152 4,158 1,163 2,164 2,165 2,168 1,172 10,174 1,175 3,177 3,178 3,180 2,183 16,187 3,188 4,190 1,191 1,193 2,196 13,200 7,205 4,208 9,210 1,213 9,215 1,216 1,218 4,221 10,223 2,224 2,225 4,227 2,228 2,230 5,233 8,235 3,237 2,238 10,241 2,243 6,246 8,248 4,250 6,252 1,253 1,254 1,255 2,257 2,258 4,260 2,262 1,263 1,264 6,266 1,267 2,268 1,269 2,271 1,274 2,276 1686,277 21.911,278 21.911,279 21.911,280 21.911,281 21.911,282 18.389,283 9.628,284 12.692,285 22.354,286 18.35,287 18.35,288 18.35,289 18.35,290 18.35,291 12.92,292 10.917,293 6.106,294 19.128,295 3.942,296 1.658,297 0.687,298 0.163,299 0.122,300 0.122,301 4.224,305 1,306 1,307 741,308 3.162,311 176.034,312 219.003,315 329.488,319 1.469,320 26.154,323 1,324 0.83,325 1,326 0.4,328 0.83,329 0.5,330 0.65,331 68.5,332 328,333 4.731,334 3.563,335 6.887,336 4.274,337 3.303,338 4.699,339 1.934,340 11.58,341 3.215,342 4.605,343 3.287,344 6.718,345 4.118,346 3.16,347 4.555,348 0.148,349 10.969,350 3.03,351 4.391,352 3.154,353 6.228,354 3.853,355 2.896,356 4.332,358 9.382,359 2.762,360 3.828,361 2.895,362 5.966,363 3.448,364 2.47,365 3.312,367 8.339,368 2.411,369 3.74,370 2.463,371 5.656,372 3.311,373 2.373,374 3.172,376 7.4,377 2.246,378 3.704,379 2.391,380 5.34,381 3.265,382 2.292,383 3.151,385 6.727,386 2.222,387 3.455,388 2.292,389 4.876,390 3.03,391 2.05,392 2.679,394 5.465,395 1.971,396 3.102,397 1.786,398 4.649,399 2.585,400 1.626,401 2.367,403 4.665,404 1.553,405 3.049,406 1.549,407 4.56,408 2.535,409 1.549,410 2.323,412 4.346,413 1.527,414 3.032,415 1.532,416 4.414,417 2.464,418 1.532,419 2.298,421 4.312,422 1.403,423 2.856,424 1.468,425 4.341,426 2.363,427 1.399,428 1.998,430 3.989,431 1.343,432 2.733,433 1.251,434 3.738,435 2.211,436 1.249,437 1.844,439 2.931,440 1.19,441 2.576,442 1.1,443 3.6,444 2.047,445 1.088,446 1.612,448 2.538,449 1.039,450 2.283,451 0.891,452 3.464,453 1.764,454 0.818,455 1.182,457 2.143,458 0.771,459 1.977,460 0.587,461 3.392,462 1.451,463 0.494,464 0.728,466 1.385,467 0.469,468 15.467,469 0.483,470 0.866,471 0.027,472 47.5,473 1.484,474 26,475 0.813,476 21.5,477 0.672,478 24.704,479 0.772,480 31.333,481 0.639,482 36.688,483 1.147,484 9.252,485 0.289,486 6.311,487 0.197,488 0.073,490 0.414,496 0.878,497 0.959,498 0.685,499 0.71,500 0.82,501 0.681,502 0.681,503 0.861,504 0.745,505 0.77,506 0.46,507 0.758,508 0.966,509 0.892,510 1.118,511 0.997,512 1.077,513 1.014,514 0.753,515 1.094,516 1.076,517 1.134,518 0.574,519 1.033,520 0.994,521 0.998,522 1.003,523 0.984,524 0.891,525 0.922,526 0.779,527 1.162,528 0.969,529 1.109,530 0.767,531 1.101,532 0.949,533 0.992,534 0.905,535 0.945,536 0.823,537 0.953,538 1.028,539 1.103,540 0.894,541 0.975,542 0.989,543 1.056,544 6.5,545 0.178,546 3.556,547 2.493,548 2.005,549 1.348,550 0.878,551 0.696,552 0.353,553 0.333,554 13786,555 39845,556 2.21,557 34.7,559 9,560 1,561 2,562 5,567 1.752,568 2.087,569 3.356,570 2.376,572 1,577 81.941,578 1.672,579 3.957,580 4.928,581 5.451,582 5.492,583 5.492,584 2.735,585 4.438,586 4.972,587 3.501,588 1736.33,589 8.737,590 24140.9,592 1,595 275.121,596 1.348,597 4.942,598 0.176,599 0.007,600 0.065,601 0.046,602 0.037,603 0.025,604 0.016,605 0.013,606 0.008,607 0.01,608 0.402,609 0.17,610 0.88,611 0.789,612 164.222,613 -0.107,614 0.116,615 0.03,616 0.14,617 -0.162,618 0.106,619 0.099,620 0.184,621 0.078,622 0.15,623 0.151,624 0.092,625 -0.054,626 0.11,627 -0.161,628 0.005,629 -0.166,630 -0.096,631 -0.04,632 -0.122,633 -0.037,634 -0.081,635 0.004,636 -0.037,637 -0.088,638 -0.006,639 0.008,640 0.029,641 -0.041,642 0.048,643 0.101,644 -0.172,645 -0.116,646 -0.188,647 0.087,648 -0.189,649 0.006,650 0.016,651 0.031,652 -0.014,653 -0.014,654 0.008,655 -0.021,656 -0.145,657 0.02,658 -0.044,659 0.046,660 -0.07,661 2.11,662 4.614,663 0.844,664 28.75,665 1.011,666 1.116,667 1.965,668 3.862,669 0.734,670 3.638,671 4.025,672 4.369,673 4.745,674 5.024,675 5.236,676 5.472,677 5.697,678 5.82,679 5.986,680 6.314,681 0.708,682 439.54,683 3.638,684 5.22,685 6.111,686 7.033,687 7.946,688 8.873,689 9.796,690 10.726,691 11.653,692 12.585,693 14.3,697 1,700 1,701 2,703 3,708 6,709 10,710 3,711 1,713 1,714 5,715 1,716 30,727 1,735 49,737 31,738 2,739 37,741 54,742 23,743 21,744 6,745 6,748 6,749 9,762 22,763 1,767 1,772 1,776 1,780 1,783 17,784 6,785 5,786 9,787 1,792 7,797 0.5,798 1,807 1,810 1,811 1,815 3,816 3,819 3,828 1,843 3,845 1,851 32,852 2,858 1,869 1,874 2,877 1,881 15.333,882 8.883,883 6.722,884 2.717,886 5.979,887 1.68,888 1.11,889 4.401,890 14.766,891 3.989,892 4.725,893 5.442,894 6.178,895 6.785,896 7.308,897 7.89,898 8.465,899 8.889,900 9.416,901 0.857,902 54,903 11.758,905 5.22,906 7.745,907 22.371,909 19.207,911 2.245,912 71.833,915 1,916 141.253,917 156.702,918 134.591,920 25.145,922 31.278,923 125.425,924 166.398,925 134.591,927 35.003,928 108.278,929 103.626,930 53.504,931 20.063,932 137.218,934 141.253,935 260.015,936 25.145,937 31.278,939 141.253,940 25.145,943 75.703,944 134.078,945 50.234,946 31.278,947 141.253,948 159.735,949 156.702,952 141.253,953 63.226,954 95.375,955 16.663,956 141.173,957 141.253,958 159.735,959 156.702,961 0.593,962 0.345,963 0.204,964 0.117,965 31,966 13,967 0.074,968 4,969 3,970 1.222,971 4.233,972 329.192,973 0.222,974 27,975 160,977 1,981 19.259,982 7.312,983 3.243,984 5.735,985 141.173,986 19.977,987 12.816,988 3.132,990 1.732,991 4.148,992 1.755,993 82.457,994 457.691,995 53,1000 11.614,1004 -0.443,1007 49.534,1008 54.694,1009 0.298,1010 0.705,1011 0.878,1012 0.971,1013 0.978,1014 0.978,1015 5.239,1016 1.626,1017 6.12,1018 5.465,1019 4.71,1020 5.414,1021 1.984,1022 6.997,1023 4.63,1024 6.5,1025 1.549,1026 7.712,1027 4.665,1028 4.369,1029 5.373,1030 1.593,1031 7.978,1032 4.26,1033 7.845,1034 1.532,1035 9.402,1036 4.346,1037 6.361,1038 7.789,1039 2.977,1040 11.136,1041 6.211,1042 9.23,1043 1.399,1044 11.15,1045 4.312,1046 6.847,1047 8.603,1048 3.067,1049 12.962,1050 6.663,1051 10.647,1052 1.249,1053 12.936,1054 3.989,1055 8.318,1056 10.478,1057 4.141,1058 15.631,1059 8.102,1060 12.088,1061 1.088,1062 14.749,1063 2.931,1064 9.179,1065 11.687,1066 4.483,1067 17.804,1068 8.927,1069 13.548,1070 0.818,1071 16.582,1072 2.538,1073 10.452,1074 13.349,1075 5.38,1076 20.308,1077 10.171,1078 3.303,1079 0.494,1080 18.429,1081 2.143,1082 11.484,1083 14.736,1084 5.86,1085 22.626,1086 11.168,1087 3.16,1088 11.58,1089 20.288,1090 1.385,1091 12.683,1092 16.312,1093 6.654,1094 25.075,1095 12.34,1096 2.896,1097 10.969,1098 22.157,1099 4.699,1100 13.791,1101 17.778,1102 7.213,1103 27.453,1104 13.415,1105 2.47,1106 9.382,1107 24.032,1108 4.555,1109 14.967,1110 19.321,1111 7.949,1112 29.885,1113 14.562,1114 2.373,1115 8.339,1116 25.914,1117 4.332,1118 16.109,1119 20.821,1120 8.552,1121 32.291,1122 15.674,1123 2.292,1124 7.4,1125 27.801,1126 3.312,1127 17.279,1128 22.353,1129 9.254,1130 34.72,1131 16.815,1132 2.05,1133 6.727,1134 29.692,1135 3.172,1136 18.438,1137 23.867,1138 9.882,1139 37.139,1140 17.945,1141 12589,1142 21544,1143 25.372,1144 35.949,1145 57.983,1146 58.127,1147 58.525,1148 57.264,1149 57.291,1150 81.543,1151 4.164,1152 174.063,1153 54.926,1154 5.475,1155 5.563,1156 6.569,1157 5.389,1158 5.303,1159 7.699,1160 3.388,1161 19.008,1162 5.215,1163 13.131,1164 1.567,1165 1.571,1166 1.582,1167 1.548,1168 1.548,1169 2.204,1170 0.113,1171 4.704,1172 1.484,1173 4.205,1174 4.234,1175 4.354,1176 4.168,1177 7.437,1178 4.143,1179 4.071,1180 4.1,1181 4.125,1182 4.013,1183 5.258,1184 4.002,1185 3.973,1186 4.004,1187 3.968,1188 3.86,1189 5.09,1190 3.877,1191 3.562,1192 3.623,1193 3.493,1194 3.347,1195 4.889,1196 3.34,1197 3.43,1198 3.488,1199 3.462,1200 3.301,1201 4.852,1202 3.312,1203 3.354,1204 3.393,1205 3.35,1206 3.221,1207 4.773,1208 3.236,1209 3.185,1210 3.258,1211 3.128,1212 2.943,1213 4.371,1214 2.972,1215 2.906,1216 2.961,1217 2.923,1218 2.851,1219 4.196,1220 2.805,1221 0.128,1222 0.096,1223 0.186,1224 0.116,1225 0.089,1226 4.731,1227 0.127,1228 3.563,1229 0.052,1230 6.887,1231 0.313,1232 4.274,1233 0.087,1234 3.303,1235 4.699,1236 1.934,1237 11.58,1238 3.215,1239 1.988,1240 1.974,1241 2.042,1242 2.051,1243 1.24,1244 2.046,1245 1.917,1246 1.901,1247 1.995,1248 2.003,1249 1.135,1250 1.989,1251 1.808,1252 1.764,1253 1.878,1254 1.965,1255 1.025,1256 1.971,1257 1.586,1258 1.546,1259 1.698,1260 1.802,1261 0.831,1262 1.774,1263 1.417,1264 1.395,1265 1.501,1266 1.643,1267 0.649,1268 1.602,1269 1.255,1270 1.213,1271 1.411,1272 1.493,1273 0.462,1274 1.47,1275 1.215,1276 1.14,1277 1.356,1278 1.386,1279 0.333,1280 1.415,1281 1.018,1282 0.943,1283 1.255,1284 1.337,1285 0.264,1286 1.328,1287 4.317,1289 5.687,1290 3.434,1291 7.241,1292 5.82,1293 8.885,1294 7.947,1295 10.581,1301 11.338,1303 0.029,1314 34.686,1315 81.941,1316 193.885,1317 241.469,1318 267.121,1319 269.121,1320 269.121,1321 42.493,1322 8.787,1323 128.5,1324 156.74,1325 33,1326 13.087,1327 5,1328 4.087,1329 41.072,1330 120,1331 113,1332 0.167,1333 211.665,1334 336.88,1335 508.223,1336 86235,1338 21.819,1339 0.682,1340 0.549,1341 22.173,1342 17.557,1343 15.564,1344 0.421,1345 0.29,1346 9.876,1347 14.596,1348 9.616,1349 7.911,1350 15.972,1351 10.744,1352 14.821,1353 0.269,1354 0.158,1355 15.464,1356 8.689,1357 12.659,1358 0.162,1359 0.085,1360 13.465,1361 6.664,1362 11.595,1363 0.102,1364 0.046,1365 12.502,1366 5.201,1367 9.712,1368 0.064,1369 0.024,1370 10.559,1371 3.683,1372 0.254,1373 101.011,1374 0.199,1375 29.161,1376 0.481,1377 184,1378 506.134,1379 223.355,1380 525.386,1381 737.89,1382 492,1383 225,1384 551.619,1385 262.258,1386 579.117,1387 854.27,1388 546,1389 5.6}
{0 CHEMBL1985311,1 1.706,2 12.103,3 2.801,4 7.846,5 108.379,6 8.329,7 0.688,8 3.981,9 4.101,10 3.621,11 3.524,12 5.243,13 3.535,14 4.434,15 4.567,16 3.986,17 3.912,18 5.715,19 3.901,20 4.681,21 4.86,22 4.046,23 4.019,24 5.943,25 3.992,26 4.749,27 4.952,28 3.983,29 3.98,30 5.974,31 3.942,32 4.705,33 4.909,34 3.925,35 3.887,36 6.078,37 3.849,38 4.642,39 4.873,40 3.73,41 3.758,42 5.935,43 3.705,44 4.447,45 4.681,46 3.548,47 3.589,48 5.72,49 3.528,50 4.275,51 4.497,52 3.483,53 3.474,54 5.497,55 3.429,56 0.159,57 0.795,58 7.948,59 3.79,60 18.53,61 4.292,62 0.297,63 1.222,64 13.287,65 6.523,66 29.275,67 7.76,68 0.433,69 1.516,70 19.767,71 8.06,72 47.848,73 9.829,74 0.461,75 1.518,76 23.331,77 8.858,78 59.933,79 10.973,80 0.658,81 1.387,82 22.719,83 7.938,84 89.026,85 10.099,86 0.659,87 1.284,88 23.362,89 7.644,90 99.204,91 9.627,92 0.527,93 1.052,94 19.171,95 6.373,96 73.867,97 8.307,98 0.357,99 0.943,100 15.673,101 5.903,102 44.385,103 7.35,104 18,105 45,106 0.286,107 0.625,108 0.761,109 0.873,110 0.89,111 0.89,112 3.408,113 0.83,114 -4.28,115 -4.22,116 -3.98,119 44.7,125 1,142 10,143 4,144 3,146 1,153 1,159 1,163 1,164 1,165 1,168 1,172 12,175 2,178 2,179 2,180 6,182 1,183 14,185 1,188 2,190 1,191 1,193 9,196 12,198 1,200 5,205 12,208 7,210 3,213 6,217 1,218 10,221 4,223 3,225 4,230 8,233 4,235 2,238 1,241 1,242 1,243 2,246 6,250 2,253 1,254 2,255 3,257 1,258 7,264 1,269 3,272 5,276 1292,277 19.679,278 19.679,279 19.679,280 19.679,281 19.679,282 16.885,283 19.558,284 11.452,285 19.941,286 15.72,287 15.72,288 15.72,289 15.72,290 15.72,291 11.497,292 26.018,293 5.348,294 16.167,295 3.849,296 1.831,297 1.021,298 0.356,299 0.255,300 0.255,301 4.104,305 1,306 1,307 766,308 3.24,311 69.082,312 285.933,315 129.381,319 1.962,320 35.509,323 0.75,324 0.83,325 0.83,326 0.5,328 0.83,329 1,330 0.68,331 64,332 351,333 4.661,334 3.575,335 6.879,336 4.209,337 3.223,338 4.621,339 1.656,340 11.471,341 3.18,342 4.262,343 3.24,344 6.105,345 3.863,346 2.902,347 3.901,348 0.765,349 8.93,350 2.784,351 4.075,352 3.134,353 5.886,354 3.658,355 2.679,356 3.693,357 0.247,358 8.16,359 2.62,360 3.764,361 2.673,362 5.455,363 3.411,364 2.434,365 3.12,367 7.258,368 2.367,369 3.541,370 2.623,371 5.196,372 3.187,373 2.216,374 2.859,376 6.406,377 2.143,378 3.385,379 2.347,380 4.955,381 2.96,382 1.98,383 2.703,385 5.445,386 1.923,387 3.343,388 1.983,389 4.813,390 2.87,391 1.911,392 2.624,394 5.351,395 1.83,396 2.968,397 1.819,398 4.459,399 2.486,400 1.507,401 2.174,403 4.198,404 1.473,405 2.805,406 1.535,407 4.112,408 2.347,409 1.365,410 1.914,412 3.602,413 1.33,414 2.631,415 1.185,416 3.817,417 2.138,418 1.157,419 1.692,421 2.803,422 1.132,423 2.5,424 1.164,425 3.414,426 2,427 1,428 1.5,430 2.275,431 1,432 2.174,433 1,434 3.327,435 1.703,436 0.721,437 1.031,439 1.751,440 0.706,441 1.755,442 0.782,443 3.011,444 1.48,445 0.588,446 0.66,448 1.002,449 0.515,450 1.376,451 0.683,452 2.843,453 1.099,454 0.175,455 0.203,457 0.398,458 0.16,459 1.302,460 0.517,461 2.591,462 0.907,463 -0.06,464 -0.075,466 -0.131,467 -0.057,468 13.452,469 0.464,470 0.712,471 0.025,472 41.5,473 1.431,474 23,475 0.793,476 18.5,477 0.638,478 19.62,479 0.677,480 30.348,481 0.646,482 32.698,483 1.128,484 8.599,485 0.297,486 5.447,487 0.188,488 0.101,490 0.372,494 1,496 0.796,497 0.904,498 0.737,499 0.797,500 0.727,501 0.749,502 0.619,503 1.034,504 0.772,505 1.023,506 0.635,507 0.967,508 0.885,509 1.052,510 0.969,511 1.06,512 0.845,513 1.038,514 1.048,515 1.164,516 1.017,517 1.124,518 0.99,519 1.074,520 0.896,521 0.977,522 1.026,523 1.061,524 0.916,525 1.07,526 1.154,527 1.003,528 1.116,529 0.96,530 1.172,531 1.005,532 0.945,533 0.917,534 1.022,535 0.898,536 0.939,537 0.954,538 1.016,539 0.968,540 0.913,541 0.963,542 1.072,543 0.935,544 6,545 0.135,546 3.333,547 2.222,548 1.599,549 0.966,550 0.573,551 0.339,552 0.207,553 0.208,554 11871,555 37121,556 2.09,557 38.3,559 12,562 6,567 1.714,568 1.955,569 3.524,570 3.305,571 1,572 1,577 80.159,578 1.706,579 3.724,580 4.534,581 5.198,582 5.299,583 5.299,584 2.915,585 4.461,586 4.833,587 3.758,588 1525.66,589 8.386,590 21467.2,592 1,594 1,595 261.066,596 1.416,597 4.788,598 0.188,599 0.006,600 0.074,601 0.048,602 0.038,603 0.025,604 0.018,605 0.013,606 0.008,607 0.009,608 0.428,610 1,611 0.729,612 149.536,613 -0.113,614 0.134,615 -0.016,616 0.165,617 -0.134,618 0.12,619 0.084,620 -0.028,621 -0.003,622 -0.032,623 0.008,624 -0.05,625 -0.049,626 -0.029,627 -0.091,628 -0.082,629 -0.035,630 -0.094,631 -0.117,632 -0.171,633 -0.059,634 -0.136,635 -0.072,636 -0.091,637 0.072,638 -0.063,639 -0.051,640 -0.106,641 0.093,642 -0.108,643 -0.07,644 -0.018,645 -0.07,646 0.01,647 -0.046,648 -0.013,649 0.021,650 -0.001,651 0.014,652 0.074,653 0.045,654 0.054,655 0.005,656 0.049,657 0.11,658 0.049,659 -0.03,660 0.087,661 2.257,662 5.837,663 0.724,664 28.533,665 1.018,666 1.131,667 3.053,668 9.32,669 0.685,670 3.497,671 3.829,672 4.111,673 4.382,674 4.585,675 4.585,676 4.682,677 4.787,678 4.796,679 4.875,680 7.395,681 0.673,682 391.44,683 3.497,684 5.043,685 5.9,686 6.783,687 7.656,688 8.542,689 9.42,690 10.307,691 11.189,692 12.078,693 10.6,697 1,700 2,701 1,703 1,708 2,709 10,710 1,711 1,714 7,716 22,727 1,734 1,735 47,737 23,738 3,739 32,741 50,742 21,743 19,744 8,745 10,748 4,749 5,753 1,754 1,762 20,763 1,767 1,772 1,776 1,780 1,781 1,783 18,784 7,785 6,786 8,792 5,797 0.75,798 2,799 1,807 1,815 1,816 3,819 1,841 1,843 3,849 1,851 29,852 1,857 1,858 1,860 2,873 1,874 4.3,875 1,877 1,881 14.833,882 8.126,883 6.389,884 2.5,886 4.179,887 1.541,888 1.017,889 5.273,890 11.91,891 3.807,892 4.457,893 5.078,894 5.707,895 6.242,896 6.495,897 6.908,898 7.331,899 7.545,900 7.899,901 0.875,902 46,903 10.701,905 4.667,906 8.04,907 19.748,909 16.159,911 2.54,912 73.667,915 1,916 141.253,917 130.275,918 102.245,920 67.828,921 14.96,923 130.275,924 209.081,925 117.205,927 36.022,928 170.343,929 41.808,930 47.899,931 19.236,932 141.253,934 141.253,935 232.519,936 82.788,939 156.213,940 25.145,941 42.683,943 57.157,944 158.7,945 16.663,947 156.213,948 170.073,949 130.275,952 141.253,953 35.512,954 94.762,955 52.685,956 132.349,957 141.253,958 185.033,959 130.275,961 0.583,962 0.348,963 0.19,964 0.104,965 22,966 10,967 0.08,968 4,969 1,970 1.095,971 4.103,972 252.318,973 0.095,974 21,975 136.881,981 19.086,982 8.011,983 3.979,984 1.61,985 168.37,986 16.92,987 4.159,988 2.776,991 2.774,993 128.265,994 456.561,995 44,1000 12.193,1004 -0.59,1007 47.862,1008 53.156,1009 0.307,1010 0.67,1011 0.816,1012 0.936,1013 0.954,1014 0.954,1015 5.034,1016 1.507,1017 5.889,1018 5.351,1019 4.511,1020 5.145,1021 1.942,1022 6.706,1023 4.457,1024 6.262,1025 1.365,1026 7.452,1027 4.198,1028 4.111,1029 4.997,1030 1.195,1031 7.621,1032 4.027,1033 7.581,1034 1.157,1035 9.113,1036 3.602,1037 6.111,1038 7.411,1039 2.474,1040 10.727,1041 6.011,1042 8.937,1043 1,1044 10.832,1045 2.803,1046 6.524,1047 8.098,1048 2.324,1049 12.503,1050 6.394,1051 10.324,1052 0.721,1053 12.59,1054 2.275,1055 7.995,1056 9.983,1057 3.259,1058 15.139,1059 7.854,1060 11.733,1061 0.588,1062 14.376,1063 1.751,1064 8.788,1065 11.082,1066 3.407,1067 17.291,1068 8.622,1069 13.161,1070 0.175,1071 16.184,1072 1.002,1073 10.049,1074 12.747,1075 4.159,1076 19.777,1077 9.872,1078 3.223,1079 -0.06,1080 18.011,1081 0.398,1082 11.026,1083 14.057,1084 4.464,1085 22.093,1086 10.83,1087 2.902,1088 11.471,1089 19.851,1090 -0.131,1091 12.206,1092 15.628,1093 5.112,1094 24.535,1095 11.999,1096 2.679,1097 8.93,1098 21.705,1099 4.621,1100 13.271,1101 17.044,1102 5.504,1103 26.919,1104 13.048,1105 2.434,1106 8.16,1107 23.568,1108 3.901,1109 14.423,1110 18.578,1111 6.091,1112 29.352,1113 14.189,1114 2.216,1115 7.258,1116 25.441,1117 3.693,1118 15.531,1119 20.047,1120 6.531,1121 31.766,1122 15.284,1123 1.98,1124 6.406,1125 27.321,1126 3.12,1127 16.676,1128 21.569,1129 7.083,1130 34.199,1131 16.419,1132 1.911,1133 5.445,1134 29.208,1135 2.859,1136 17.806,1137 23.065,1138 7.551,1139 36.626,1140 17.537,1141 11222,1142 19965,1143 21.383,1144 32.205,1145 47.98,1146 49.535,1147 49.796,1148 47.695,1149 47.715,1150 65.387,1151 5.336,1152 138.097,1153 46.328,1154 5.533,1155 5.575,1156 6.429,1157 5.254,1158 5.223,1159 7.621,1160 2.912,1161 18.697,1162 5.18,1163 14.306,1164 1.499,1165 1.548,1166 1.556,1167 1.49,1168 1.491,1169 2.043,1170 0.167,1171 4.316,1172 1.448,1173 4.13,1174 4.166,1175 4.099,1176 4.046,1177 8.201,1178 4.054,1179 3.948,1180 3.979,1181 3.905,1182 3.857,1183 7.431,1184 3.862,1185 3.85,1186 3.887,1187 3.796,1188 3.759,1189 6.457,1190 3.763,1191 3.459,1192 3.516,1193 3.402,1194 3.218,1195 5.242,1196 3.249,1197 3.386,1198 3.446,1199 3.293,1200 3.158,1201 4.799,1202 3.194,1203 3.229,1204 3.272,1205 3.127,1206 3.001,1207 4.695,1208 3.019,1209 2.993,1210 3.058,1211 2.912,1212 2.859,1213 4.603,1214 2.865,1215 2.854,1216 2.941,1217 2.705,1218 2.735,1219 4.318,1220 2.715,1221 0.146,1222 0.112,1223 0.215,1224 0.132,1225 0.101,1226 4.661,1227 0.144,1228 3.575,1229 0.052,1230 6.879,1231 0.358,1232 4.209,1233 0.099,1234 3.223,1235 4.621,1236 1.656,1237 11.471,1238 3.18,1239 2.01,1240 1.991,1241 2.085,1242 2.073,1243 1.235,1244 2.078,1245 1.903,1246 1.878,1247 1.997,1248 2.012,1249 1.13,1250 2.007,1251 1.777,1252 1.749,1253 1.885,1254 1.879,1255 0.98,1256 1.881,1257 1.396,1258 1.313,1259 1.544,1260 1.746,1261 0.562,1262 1.694,1263 1.294,1264 1.246,1265 1.466,1266 1.596,1267 0.457,1268 1.556,1269 1.135,1270 1.089,1271 1.354,1272 1.426,1273 0.329,1274 1.405,1275 0.975,1276 0.922,1277 1.181,1278 1.221,1279 0.227,1280 1.21,1281 0.893,1282 0.83,1283 1.162,1284 1.099,1285 0.218,1286 1.111,1287 4.174,1289 5.501,1290 2.398,1291 7.022,1292 4.727,1293 8.631,1294 6.823,1295 10.289,1299 13.837,1301 5.987,1302 9.147,1303 -0.244,1305 5.098,1314 31.608,1315 80.159,1316 175.017,1317 213.092,1318 244.311,1319 249.066,1320 249.066,1321 56.684,1322 7.731,1323 116.06,1324 116.06,1325 23,1326 12.609,1327 4.585,1328 3.7,1329 45.038,1330 132,1331 118,1332 0.167,1333 193.597,1334 328.43,1335 464.136,1336 26558,1337 2.1,1338 20.38,1339 0.703,1340 0.525,1341 19.51,1342 15.239,1343 14.046,1344 0.439,1345 0.277,1346 8.718,1347 13.489,1348 8.578,1349 7.101,1350 13.635,1351 8.852,1352 12.669,1353 0.282,1354 0.144,1355 12.151,1356 6.466,1357 10.787,1358 0.18,1359 0.075,1360 10.238,1361 4.524,1362 9.039,1363 0.114,1364 0.039,1365 8.867,1366 3.118,1367 7.389,1368 0.076,1369 0.021,1370 6.979,1371 2.056,1372 0.269,1373 88.44,1374 0.216,1375 27.901,1376 0.439,1377 154,1378 515.952,1379 170.282,1380 479.783,1381 646.85,1382 446,1383 182,1384 472.288,1385 197.349,1386 475,1387 693.05,1388 447,1389 6.5}
{0 CHEMBL1985406,1 1.699,2 9.304,3 3.908,4 15.275,5 82.956,6 8.299,7 0.64,8 3.753,9 3.87,10 3.395,11 3.311,12 4.99,13 3.312,14 4.251,15 4.406,16 3.763,17 3.68,18 5.496,19 3.667,20 4.502,21 4.702,22 3.852,23 3.737,24 5.917,25 3.725,26 4.47,27 4.677,28 3.741,29 3.661,30 5.789,31 3.647,32 4.393,33 4.591,34 3.643,35 3.583,36 5.747,37 3.571,38 4.317,39 4.528,40 3.57,41 3.523,42 5.562,43 3.498,44 4.26,45 4.477,46 3.516,47 3.402,48 5.602,49 3.379,50 4.154,51 4.394,52 3.232,53 3.224,54 5.47,55 3.16,56 0.111,57 0.705,58 6.201,59 3.433,60 11.301,61 3.908,62 0.228,63 1.106,64 11.871,65 5.81,66 27.222,67 6.985,68 0.597,69 1.442,70 18.786,71 7.074,72 91.624,73 8.446,74 0.495,75 1.268,76 18.418,77 6.56,78 59.565,79 7.754,80 0.528,81 1.154,82 17.212,83 6.084,84 72.183,85 6.81,86 0.376,87 1.093,88 15.74,89 5.824,90 52.643,91 6.977,92 0.48,93 1.042,94 14.888,95 4.879,96 49.152,97 6.243,98 0.483,99 0.878,100 14.534,101 4.737,102 53.669,103 6.138,104 21,105 35,106 0.303,107 0.66,108 0.802,109 0.884,110 0.894,111 0.894,112 3.189,113 0.879,114 -5.36,115 -5.24,116 -4.9,119 44.7,120 1,121 2,142 6,143 3,144 2,146 1,153 1,158 1,168 1,172 10,175 3,178 1,179 1,180 3,183 10,188 3,191 1,193 4,196 8,200 3,203 1,205 6,208 6,212 1,213 3,218 4,221 6,225 4,230 3,233 6,238 4,243 2,246 5,250 2,255 2,258 5,264 1,272 4,276 690,277 15.508,278 15.508,279 15.508,280 15.508,281 15.508,282 13.43,283 10.255,284 9.137,285 15.698,286 12.276,287 12.276,288 12.276,289 12.276,290 12.276,291 9.142,292 11.42,293 4.232,294 12.63,295 3.549,296 1.544,297 0.744,298 0.283,299 0.23,300 0.23,301 3.867,304 1,305 1,306 1,307 450,308 3.082,311 50.422,312 126.112,315 88.662,319 1.535,320 35.405,321 1,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 51.5,332 214,333 4.59,334 3.598,335 6.645,336 4.139,337 3.162,338 4.527,339 1.907,340 10.642,341 3.091,342 4.367,343 3.404,344 6.487,345 3.936,346 2.975,347 4.061,348 0.149,349 10.046,350 2.854,351 3.745,352 3.078,353 5.586,354 3.4,355 2.413,356 3.145,358 7.127,359 2.379,360 3.623,361 2.576,362 5.281,363 3.242,364 2.269,365 2.896,367 6.577,368 2.179,369 3.259,370 2.076,371 4.817,372 2.806,373 1.835,374 2.532,376 5.242,377 1.774,378 2.939,379 1.936,380 4.484,381 2.446,382 1.48,383 2.137,385 4.202,386 1.421,387 2.863,388 1.537,389 4.089,390 2.382,391 1.414,392 2.023,394 3.281,395 1.356,396 2.66,397 1.353,398 3.843,399 2.191,400 1.213,401 1.73,403 3.153,404 1.182,405 2.182,406 1.267,407 3.288,408 2.014,409 1.013,410 1.118,412 1.856,413 1.009,414 2.081,415 0.913,416 3.05,417 1.661,418 0.678,419 0.934,421 1.458,422 0.663,423 1.38,424 0.706,425 2.788,426 1.014,427 0.151,428 0.177,430 0.341,431 0.126,432 1.128,433 0.37,434 2.363,435 0.741,436 -0.21,437 -0.254,439 -0.477,440 -0.199,441 0.9,442 -0.015,443 2.359,444 0.511,445 -0.457,446 -0.564,448 -0.903,449 -0.433,450 0.674,451 -0.113,452 2.236,453 0.428,454 -0.622,455 -0.79,457 -1.292,458 -0.638,459 0.651,460 -0.6,461 2,462 0.167,463 -0.818,464 -1.173,466 -2.22,467 -0.8,468 10.605,469 0.461,470 0.575,471 0.025,472 30.25,473 1.315,474 16,475 0.696,476 14.25,477 0.62,478 16.676,479 0.725,480 24.795,481 0.653,482 22.203,483 0.965,484 6.071,485 0.264,486 5.026,487 0.219,488 0.132,490 0.377,494 2,496 0.56,497 0.892,498 0.666,499 0.936,500 0.516,501 0.861,502 0.56,503 1.016,504 0.693,505 1.07,506 0.564,507 0.973,508 0.861,509 0.965,510 0.832,511 0.941,512 0.83,513 0.894,514 1.088,515 1.06,516 0.992,517 0.964,518 1.029,519 0.941,520 1.286,521 1.01,522 1.116,523 0.913,524 1.28,525 0.941,526 1.038,527 1.105,528 0.979,529 1.032,530 0.979,531 0.991,532 0.865,533 0.932,534 0.996,535 1.027,536 0.852,537 1.042,538 0.882,539 0.82,540 1.079,541 1.027,542 0.944,543 1.096,544 4.5,545 0.066,546 3.111,547 1.792,548 1.142,549 0.781,550 0.503,551 0.387,552 0.205,553 0.12,554 5220,555 17285,556 2.041,557 39.5,558 5,559 6,562 2,563 2,567 1.66,568 1.89,569 3.205,570 0.321,572 1,577 64.576,578 1.699,579 3.704,580 4.504,581 4.965,582 5.018,583 5.018,584 2.703,585 4.35,586 4.492,587 3.336,588 844.011,589 7.75,590 9446.67,592 1,593 1,594 1,595 199.421,596 1.478,597 4.443,598 0.18,599 0.007,600 0.089,601 0.05,602 0.036,603 0.027,604 0.019,605 0.016,606 0.012,607 0.01,608 0.445,609 0.33,610 1,611 1.422,612 106.769,613 -0.015,614 0.049,615 0.017,616 0.058,617 -0.033,618 0.051,619 0.065,620 -0.111,621 0.089,622 -0.078,623 0.024,624 -0.018,625 0.069,626 -0.009,627 0.107,628 0.026,629 0.098,630 0.064,631 -0.118,632 -0.099,633 -0.035,634 -0.017,635 -0.074,636 0.001,637 -0.195,638 -0.019,639 -0.149,640 0.04,641 -0.151,642 -0.014,643 -0.123,644 -0.142,645 -0.03,646 -0.069,647 -0.088,648 -0.027,649 0.07,650 0.016,651 -0.035,652 -0.117,653 0.015,654 -0.118,655 0.098,656 0.111,657 -0.056,658 -0.088,659 0.01,660 -0.122,661 2.564,662 5.956,663 0.652,664 18.609,665 1.022,666 1.139,667 4.127,668 17.032,669 0.676,670 3.258,671 3.584,672 3.871,673 4.127,674 4.317,675 4.419,676 4.595,677 4.7,678 4.7,679 4.736,680 5.526,681 0.664,682 315.35,683 3.258,684 4.796,685 5.652,686 6.535,687 7.413,688 8.304,689 9.191,690 10.086,691 10.978,692 11.875,693 7.9,700 1,701 1,703 1,708 2,709 6,710 1,711 1,714 5,716 16,734 2,735 38,737 17,738 2,739 25,741 40,742 17,743 13,744 6,745 6,748 3,749 4,754 1,760 2,762 14,763 3,767 1,772 1,776 1,780 1,781 2,783 15,784 5,785 2,786 6,792 3,797 0.667,798 1,807 1,815 1,816 2,819 1,829 1,843 2,847 1,849 2,851 23,858 2,860 1,873 2,874 2.6,877 1,881 12.167,882 7.152,883 5.139,884 2.421,886 3.249,887 1.46,888 1.009,889 4.287,890 10.311,891 3.555,892 4.201,893 4.831,894 5.46,895 6.004,896 6.389,897 6.898,898 7.348,899 7.614,900 7.978,901 1,902 36,903 8.571,905 3.773,906 8.167,907 15.707,909 12.785,911 2.667,912 61.333,916 153.024,917 107.115,918 51.337,920 25.145,921 29.92,923 107.115,924 178.169,925 81.257,926 8.825,927 23.08,928 56.857,929 46.513,930 48.321,931 29.92,932 153.024,934 153.024,935 158.451,936 55.065,939 182.945,940 25.145,943 53.04,944 88.748,945 16.663,947 182.945,948 76.482,949 107.115,952 153.024,953 41.432,954 65.683,955 34.674,956 71.728,957 153.024,958 106.402,959 107.115,961 0.578,962 0.344,963 0.184,964 0.093,965 17,966 8,967 0.1,968 4,969 1,970 1.133,971 3.456,972 184.111,973 0.133,974 15,975 104.042,981 15.479,982 6.371,983 3.046,984 1.285,985 89.739,986 9.079,987 4.099,988 2.758,991 -0.656,993 34.674,994 366.541,995 34,1000 11.739,1004 -0.125,1007 38.843,1008 43.29,1009 0.324,1010 0.706,1011 0.858,1012 0.946,1013 0.956,1014 0.956,1015 4.779,1016 1.213,1017 5.645,1018 3.281,1019 4.263,1020 4.887,1021 1.953,1022 6.475,1023 4.205,1024 6.009,1025 1.013,1026 7.22,1027 3.153,1028 3.892,1029 4.796,1030 1.593,1031 7.42,1032 3.787,1033 7.334,1034 0.678,1035 8.897,1036 1.856,1037 5.872,1038 7.173,1039 2.904,1040 10.534,1041 5.761,1042 8.699,1043 0.151,1044 10.633,1045 1.458,1046 6.33,1047 7.927,1048 3.032,1049 12.306,1050 6.167,1051 10.097,1052 -0.21,1053 12.406,1054 0.341,1055 7.785,1056 9.782,1057 4.037,1058 14.935,1059 7.617,1060 11.518,1061 -0.457,1062 14.206,1063 -0.477,1064 8.616,1065 10.927,1066 4.409,1067 17.041,1068 8.401,1069 12.957,1070 -0.622,1071 16.024,1072 -0.903,1073 9.868,1074 12.571,1075 5.25,1076 19.498,1077 9.642,1078 3.162,1079 -0.818,1080 17.855,1081 -1.292,1082 10.866,1083 13.901,1084 5.75,1085 21.742,1086 10.601,1087 2.975,1088 10.642,1089 19.698,1090 -2.22,1091 12.04,1092 15.456,1093 6.501,1094 24.133,1095 11.757,1096 2.413,1097 10.046,1098 21.549,1099 4.527,1100 13.112,1101 16.872,1102 7.068,1103 26.435,1104 12.796,1105 2.269,1106 7.127,1107 23.406,1108 4.061,1109 14.258,1110 18.39,1111 7.771,1112 28.8,1113 13.921,1114 1.835,1115 6.577,1116 25.268,1117 3.145,1118 15.363,1119 19.848,1120 8.374,1121 31.128,1122 14.998,1123 1.48,1124 5.242,1125 27.135,1126 2.896,1127 16.5,1128 21.352,1129 9.051,1130 33.483,1131 16.112,1132 1.414,1133 4.202,1134 29.004,1135 2.532,1136 17.621,1137 22.83,1138 9.674,1139 35.823,1140 17.206,1141 5203,1142 9600,1143 16.414,1144 25.676,1145 37.458,1146 39.004,1147 39.139,1148 37.165,1149 37.209,1150 50.557,1151 4.112,1152 107.849,1153 36.068,1154 5.438,1155 5.598,1156 6.417,1157 5.162,1158 5.162,1159 7.527,1160 3.306,1161 17.759,1162 5.091,1163 12.089,1164 1.498,1165 1.56,1166 1.566,1167 1.487,1168 1.488,1169 2.022,1170 0.164,1171 4.314,1172 1.443,1173 4.126,1174 4.162,1175 4.097,1176 4.034,1177 8.239,1178 4.044,1179 3.879,1180 3.91,1181 3.851,1182 3.773,1183 8.161,1184 3.785,1185 3.686,1186 3.741,1187 3.569,1188 3.527,1189 7.429,1190 3.524,1191 3.391,1192 3.458,1193 3.293,1194 3.211,1195 5.082,1196 3.226,1197 3.187,1198 3.253,1199 3.05,1200 2.945,1201 4.585,1202 2.961,1203 2.934,1204 2.988,1205 2.875,1206 2.815,1207 4.284,1208 2.808,1209 2.929,1210 2.981,1211 2.826,1212 2.73,1213 4.106,1214 2.751,1215 2.714,1216 2.785,1217 2.626,1218 2.518,1219 3.896,1220 2.529,1221 0.184,1222 0.144,1223 0.266,1224 0.166,1225 0.126,1226 4.59,1227 0.181,1228 3.598,1229 0.076,1230 6.645,1231 0.426,1232 4.139,1233 0.124,1234 3.162,1235 4.527,1236 1.907,1237 10.642,1238 3.091,1239 1.997,1240 1.981,1241 2.065,1242 2.064,1243 1.219,1244 2.064,1245 1.771,1246 1.747,1247 1.936,1248 1.908,1249 1.173,1250 1.909,1251 1.674,1252 1.617,1253 1.855,1254 1.844,1255 0.957,1256 1.849,1257 1.399,1258 1.319,1259 1.562,1260 1.711,1261 0.586,1262 1.68,1263 1.1,1264 1.032,1265 1.38,1266 1.405,1267 0.457,1268 1.396,1269 0.991,1270 0.955,1271 1.138,1272 1.13,1273 0.26,1274 1.139,1275 0.829,1276 0.786,1277 1.039,1278 1.074,1279 0.045,1280 1.042,1281 0.758,1282 0.676,1283 0.999,1284 0.987,1285 0.032,1286 1.014,1287 3.932,1289 5.252,1290 2.398,1291 6.772,1292 4.727,1293 8.385,1294 6.823,1295 10.049,1297 1.912,1299 27.361,1303 1.135,1305 2.746,1314 25.233,1315 64.576,1316 140.75,1317 171.157,1318 188.666,1319 190.666,1320 190.666,1321 52.901,1322 7.062,1323 57.78,1324 57.78,1325 17,1326 12.4,1327 4.17,1328 3.322,1329 36.751,1330 76,1331 87,1332 0.244,1333 155.016,1334 265.69,1335 370,1336 9992,1337 5.3,1338 16.397,1339 0.713,1340 0.543,1341 14.656,1342 12.49,1343 11.097,1344 0.444,1345 0.293,1346 7.21,1347 10.62,1348 7.075,1349 5.887,1350 10.275,1351 7.322,1352 9.895,1353 0.283,1354 0.149,1355 8.862,1356 5.23,1357 8.464,1358 0.18,1359 0.076,1360 7.405,1361 3.558,1362 6.977,1363 0.114,1364 0.04,1365 6.334,1366 2.429,1367 5.268,1368 0.071,1369 0.021,1370 4.872,1371 1.525,1372 0.375,1373 70.205,1374 0.247,1375 22.33,1376 0.692,1377 120,1378 478.269,1379 135.427,1380 412.405,1381 544.37,1382 382,1383 142,1384 391.008,1385 157.672,1386 382.895,1387 561.77,1388 361,1389 5.1}
{0 CHEMBL1985566,1 1.494,2 18.762,3 5.489,4 30.126,5 162.961,6 7.577,7 0.511,8 4.407,9 4.512,10 3.996,11 3.972,12 5.517,13 3.958,14 4.947,15 5.098,16 4.34,17 4.365,18 5.992,19 4.333,20 5.212,21 5.39,22 4.477,23 4.564,24 6.244,25 4.509,26 5.289,27 5.485,28 4.413,29 4.592,30 6.326,31 4.502,32 5.338,33 5.574,34 4.324,35 4.558,36 6.323,37 4.443,38 5.209,39 5.449,40 4.215,41 4.412,42 6.163,43 4.309,44 5.062,45 5.268,46 4.172,47 4.312,48 6.103,49 4.236,50 5.011,51 5.205,52 4.146,53 4.276,54 6.094,55 4.198,56 0.025,57 1.025,58 14.394,59 6.789,60 12.297,61 8.433,62 0.308,63 1.677,64 28.114,65 11.446,66 30.984,67 14.302,68 0.445,69 2.189,70 38.04,71 14.871,72 45.384,73 19.133,74 0.343,75 2.309,76 41.68,77 17.008,78 55.241,79 22.466,80 0.485,81 2.343,82 47.033,83 18.446,84 77.25,85 25.156,86 0.416,87 2.056,88 41.777,89 15.942,90 57.898,91 21.728,92 0.492,93 1.78,94 34.953,95 13.165,96 59.898,97 17.118,98 0.523,99 1.702,100 32.574,101 12.562,102 61.5,103 16.312,104 15,105 65,106 0.228,107 0.545,108 0.733,109 0.848,110 0.867,111 0.867,112 3.764,113 0.898,114 -3.79,115 -3.75,116 -3.57,119 45.9,121 2,124 1,125 5,142 13,143 5,144 6,158 2,172 16,175 9,178 1,180 5,183 19,187 1,188 10,192 1,193 7,196 16,200 8,203 1,205 7,208 12,212 2,213 10,218 4,221 17,225 7,228 1,230 2,233 19,238 5,241 2,243 3,246 17,249 2,250 5,255 4,258 11,263 1,264 7,267 1,269 5,272 6,276 4032,277 29.203,278 29.203,279 29.203,280 29.203,281 29.203,282 26.097,283 40.342,284 17.347,285 29.882,286 23.149,287 23.149,288 23.149,289 23.149,290 23.149,291 18.217,292 57.472,293 8.104,294 24.112,295 4.716,296 2.638,297 1.404,298 0.652,299 0.524,300 0.524,301 4.483,306 1,307 1741,308 3.536,312 653.651,313 112.949,317 376.74,319 3.202,320 35.503,323 0.75,324 0.67,325 0.83,326 0.7,327 0.5,328 0.83,329 1,330 0.75,331 90,332 788,333 4.483,334 4.057,335 6.544,336 4.124,337 3.139,338 4.155,339 2.517,340 10.349,341 3.092,342 4.321,343 3.624,344 6.27,345 3.94,346 2.959,347 3.958,348 1.058,349 9.501,350 2.903,351 4.163,352 3.161,353 6.143,354 3.814,355 2.87,356 3.794,357 0.86,358 9.054,359 2.737,360 4.139,361 3.134,362 6.114,363 3.759,364 2.772,365 3.692,366 0.86,367 8.963,368 2.711,369 3.88,370 3.007,371 5.958,372 3.538,373 2.545,374 3.276,375 0.86,376 8.391,377 2.523,378 3.686,379 2.859,380 5.337,381 3.373,382 2.443,383 2.944,384 0.8,385 6.939,386 2.267,387 3.533,388 2.819,389 5.258,390 3.213,391 2.227,392 2.839,393 0.4,394 6.657,395 2.186,396 3.467,397 2.55,398 5.152,399 3.047,400 2.072,401 2.601,403 6.16,404 2.012,405 3.371,406 2.391,407 4.485,408 2.741,409 1.823,410 2.175,412 4.519,413 1.667,414 2.978,415 2.305,416 4.447,417 2.619,418 1.669,419 2.091,421 4.453,422 1.581,423 2.922,424 2.131,425 4.32,426 2.47,427 1.486,428 2.029,430 4.013,431 1.454,432 2.88,433 1.719,434 4.178,435 2.335,436 1.349,437 1.899,439 3.613,440 1.328,441 2.781,442 1.692,443 3.882,444 2.156,445 1.258,446 1.733,448 2.866,449 1.125,450 2.59,451 1.487,452 3.538,453 2.118,454 1.119,455 1.544,457 2.784,458 1.108,459 2.5,460 1.388,461 3.426,462 2,463 1.052,464 1.5,466 2.44,467 1,468 19.933,469 0.475,470 0.824,471 0.02,472 58.25,473 1.387,474 31,475 0.738,476 27.25,477 0.649,478 35.833,479 0.853,480 43.667,481 0.59,482 49.131,483 1.17,484 11.602,485 0.276,486 9.004,487 0.214,488 0.062,490 0.321,496 0.832,497 1.198,498 0.761,499 1.044,500 0.563,501 0.913,502 1.21,503 1.054,504 0.933,505 0.932,506 0.667,507 0.9,508 1.129,509 1.021,510 1.023,511 0.969,512 0.873,513 0.974,514 0.899,515 1.143,516 1.073,517 1.167,518 0.828,519 1.15,520 0.781,521 0.953,522 0.945,523 1.004,524 0.946,525 1.004,526 0.865,527 0.923,528 0.902,529 0.947,530 0.862,531 0.933,532 1.208,533 0.914,534 1.037,535 0.935,536 1.266,537 0.958,538 1.083,539 1.083,540 1.062,541 1.046,542 1.157,543 1.055,544 7.5,545 0.294,546 4.667,547 2.125,548 2.318,549 1.479,550 1.012,551 0.498,552 0.421,553 0.407,554 36363,555 92719,556 2.158,557 43.2,559 26,562 2,563 2,564 2,567 1.805,568 2.066,569 4.136,570 0.078,577 110.526,578 1.494,579 3.572,580 4.806,581 5.557,582 5.686,583 5.686,584 3.677,585 5.107,586 5.356,587 4.341,588 3737.47,589 9.439,590 71355.5,595 459.5,596 1.224,597 5.344,598 0.16,599 0.006,600 0.072,601 0.029,602 0.035,603 0.025,604 0.019,605 0.01,606 0.008,607 0.009,608 0.372,609 0.33,610 0.75,611 0.738,612 246.184,613 -0.031,614 -0.094,615 0.06,616 -0.038,617 0.007,618 0.016,619 -0.108,620 -0.001,621 -0.016,622 0.054,623 -0.025,624 0.034,625 -0.104,626 0.03,627 -0.084,628 0.006,629 -0.064,630 -0.029,631 -0.042,632 -0.14,633 -0.133,634 -0.17,635 0.012,636 -0.166,637 0.04,638 -0.001,639 0.042,640 0.001,641 0.023,642 0.018,643 0.014,644 0.032,645 0.098,646 0.05,647 0.004,648 0.083,649 -0.07,650 0.072,651 -0.044,652 0.049,653 -0.115,654 0.013,655 0.041,656 -0.097,657 -0.083,658 -0.057,659 -0.007,660 -0.086,661 1.835,662 6.148,663 0.786,664 69.714,665 1.001,666 1.117,667 2.56,668 6.552,669 0.682,670 3.871,671 4.19,672 4.489,673 4.754,674 5.03,675 5.165,676 5.333,677 5.468,678 5.659,679 5.849,680 10.475,681 0.653,682 560.7,683 3.871,684 5.416,685 6.275,686 7.151,687 8.023,688 8.904,689 9.783,690 10.667,691 11.548,692 12.435,693 5.4,699 1,700 1,701 1,702 1,709 13,714 11,716 24,723 1,728 1,730 1,733 2,735 74,737 26,738 4,739 47,741 79,742 34,743 24,744 11,745 13,746 1,748 6,749 9,760 2,761 1,762 25,763 8,767 1,772 1,776 1,783 32,784 8,785 2,786 8,792 4,797 0.667,798 4,816 5,817 1,821 2,825 1,842 1,843 4,847 1,851 42,858 7,860 2,861 3,864 1,866 1,870 1,872 1,874 5.4,877 1,878 1,879 2,881 20.333,882 13.65,883 9.333,884 4.418,886 4.654,887 1.495,888 1.009,889 8.502,890 14.062,891 4.143,892 4.71,893 5.283,894 5.851,895 6.427,896 6.721,897 7.15,898 7.546,899 7.985,900 8.434,901 0.923,902 73,903 15.531,905 6.629,906 7.679,907 29.904,909 24.773,911 2.179,912 91.5,916 353.133,917 215.88,918 70.205,920 58.145,923 215.88,924 411.278,925 70.205,926 10.883,927 41.068,928 123.191,929 57.451,930 111.636,932 353.133,934 353.133,935 286.085,936 58.145,939 329.591,940 70.687,941 11,943 90.138,944 195.947,947 353.133,948 128.35,949 215.88,952 353.133,953 65.204,954 137.199,955 52.623,956 89.204,957 353.133,958 128.35,959 215.88,961 0.574,962 0.343,963 0.19,964 0.106,965 31,966 13,967 0.101,968 8,969 2,970 1.121,971 5.293,972 425.157,973 0.121,974 33,975 216.477,981 27.962,982 12.77,983 6.358,985 128.35,986 25.749,991 9.305,993 36.022,994 697.363,995 62,1000 13.148,1004 -0.168,1007 74.087,1008 82.644,1009 0.241,1010 0.575,1011 0.774,1012 0.895,1013 0.916,1014 0.916,1015 5.389,1016 2.072,1017 6.244,1018 6.657,1019 4.875,1020 5.398,1021 3.074,1022 7.045,1023 4.806,1024 6.583,1025 1.823,1026 7.793,1027 6.16,1028 4.369,1029 5.121,1030 0.325,1031 7.901,1032 4.291,1033 7.883,1034 1.669,1035 9.439,1036 4.519,1037 6.46,1038 7.551,1039 4.472,1040 10.992,1041 6.341,1042 9.215,1043 1.486,1044 11.144,1045 4.453,1046 6.792,1047 8.096,1048 0.268,1049 12.663,1050 6.664,1051 10.578,1052 1.349,1053 12.886,1054 4.013,1055 8.309,1056 9.982,1057 6.244,1058 15.242,1059 8.149,1060 11.96,1061 1.258,1062 14.653,1063 3.613,1064 9.034,1065 10.915,1066 0.188,1067 17.25,1068 8.863,1069 13.359,1070 1.119,1071 16.436,1072 2.866,1073 10.309,1074 12.561,1075 8.079,1076 19.644,1077 10.113,1078 3.139,1079 1.052,1080 18.232,1081 2.784,1082 11.227,1083 13.695,1084 0.125,1085 21.802,1086 11.017,1087 2.959,1088 10.349,1089 20.038,1090 2.44,1091 12.398,1092 15.221,1093 9.923,1094 24.129,1095 12.167,1096 2.87,1097 9.501,1098 21.85,1099 4.155,1100 13.411,1101 16.467,1102 0.082,1103 26.357,1104 13.165,1105 2.772,1106 9.054,1107 23.669,1108 3.958,1109 14.538,1110 17.93,1111 11.769,1112 28.66,1113 14.276,1114 2.545,1115 8.963,1116 25.492,1117 3.794,1118 15.599,1119 19.239,1120 0.054,1121 30.924,1122 15.321,1123 2.443,1124 8.391,1125 27.319,1126 3.692,1127 16.711,1128 20.669,1129 13.615,1130 33.222,1131 16.417,1132 2.227,1133 6.939,1134 29.149,1135 3.276,1136 17.796,1137 22.015,1138 0.035,1139 35.505,1140 17.488,1141 33446,1142 53583,1143 32.304,1144 50.5,1145 70.649,1146 74.465,1147 71.254,1148 69.257,1149 69.288,1150 89.538,1151 14.71,1152 197.433,1153 66.718,1154 5.483,1155 6.057,1156 6.345,1157 5.227,1158 5.139,1159 7.155,1160 5.034,1161 17.208,1162 5.092,1163 16.224,1164 1.503,1165 1.584,1166 1.516,1167 1.474,1168 1.474,1169 1.905,1170 0.313,1171 4.201,1172 1.42,1173 4.082,1174 4.108,1175 4.04,1176 4.011,1177 7.429,1178 4.014,1179 3.951,1180 3.981,1181 3.893,1182 3.874,1183 6.818,1184 3.874,1185 3.927,1186 3.955,1187 3.874,1188 3.838,1189 4.907,1190 3.842,1191 3.786,1192 3.811,1193 3.729,1194 3.721,1195 4.847,1196 3.72,1197 3.68,1198 3.722,1199 3.565,1200 3.478,1201 4.768,1202 3.491,1203 3.45,1204 3.501,1205 3.372,1206 3.296,1207 4.617,1208 3.306,1209 3.375,1210 3.427,1211 3.27,1212 3.222,1213 4.594,1214 3.224,1215 3.284,1216 3.332,1217 3.201,1218 3.041,1219 4.337,1220 3.073,1221 0.095,1222 0.086,1223 0.139,1224 0.088,1225 0.067,1226 4.483,1227 0.088,1228 4.057,1229 0.054,1230 6.544,1231 0.22,1232 4.124,1233 0.066,1234 3.139,1235 4.155,1236 2.517,1237 10.349,1238 3.092,1239 2.003,1240 1.986,1241 2.081,1242 2.072,1243 1.245,1244 2.076,1245 1.929,1246 1.903,1247 2.04,1248 2.049,1249 1.235,1250 2.047,1251 1.896,1252 1.866,1253 2.01,1254 2.011,1255 1.22,1256 2.013,1257 1.802,1258 1.781,1259 1.899,1260 1.906,1261 1.047,1262 1.903,1263 1.628,1264 1.577,1265 1.843,1266 1.845,1267 1.003,1268 1.844,1269 1.412,1270 1.358,1271 1.649,1272 1.628,1273 0.868,1274 1.636,1275 1.367,1276 1.322,1277 1.576,1278 1.548,1279 0.825,1280 1.551,1281 1.207,1282 1.147,1283 1.526,1284 1.513,1285 0.643,1286 1.521,1287 4.554,1289 5.872,1291 7.39,1292 2.708,1293 8.995,1294 5.38,1295 10.644,1297 1.601,1303 4.843,1305 6.502,1306 16.954,1309 2.316,1312 9.081,1313 2.169,1314 48.32,1315 110.526,1316 264.291,1317 355.619,1318 411.235,1319 420.745,1320 420.745,1321 70.977,1322 9.409,1323 103.37,1324 103.37,1325 37,1326 12.967,1327 4.755,1328 4,1329 62.134,1330 264,1331 282,1332 0.112,1333 291.801,1334 518.56,1335 703.754,1336 216866,1338 28.89,1339 0.688,1340 0.559,1341 28.89,1342 23.483,1343 20.606,1344 0.438,1345 0.299,1346 13.864,1347 19.833,1348 13.559,1349 11.158,1350 20.606,1351 14.062,1352 18.045,1353 0.278,1354 0.158,1355 18.045,1356 10.273,1357 15.805,1358 0.18,1359 0.087,1360 15.805,1361 7.628,1362 13.389,1363 0.116,1364 0.046,1365 13.389,1366 5.336,1367 11.256,1368 0.074,1369 0.025,1370 11.256,1371 3.729,1372 0.184,1373 128.982,1374 0.176,1375 38.335,1376 0.287,1377 224,1378 638.898,1379 242.73,1380 614.403,1381 845.57,1382 580,1383 265,1384 617.005,1385 283.929,1386 627.323,1387 916.42,1388 591,1389 5.1}
{0 CHEMBL1985580,1 1.427,2 13.233,3 2.729,4 7.447,5 119.279,6 7.587,7 0.697,8 4.036,9 4.157,10 3.621,11 3.658,12 5.201,13 3.628,14 4.503,15 4.654,16 3.933,17 4.031,18 5.616,19 3.975,20 4.783,21 4.981,22 3.979,23 4.159,24 5.886,25 4.069,26 4.833,27 5.062,28 3.859,29 4.1,30 5.861,31 3.99,32 4.777,33 5.004,34 3.863,35 4.044,36 5.854,37 3.944,38 4.767,39 5,40 3.854,41 3.991,42 5.889,43 3.901,44 4.738,45 4.986,46 3.77,47 3.902,48 5.855,49 3.817,50 4.56,51 4.792,52 3.605,53 3.792,54 5.647,55 3.7,56 0.042,57 0.73,58 9.738,59 4.39,60 11.229,61 5.725,62 0.128,63 1.145,64 16.609,65 7.248,66 20.782,67 9.648,68 0.267,69 1.466,70 24.427,71 10.012,72 46.155,73 13.464,74 0.232,75 1.488,76 27.439,77 10.677,78 46.415,79 14.449,80 0.228,81 1.418,82 25.751,83 10.05,84 44.869,85 13.756,86 0.212,87 1.43,88 25.723,89 9.549,90 46.188,91 13.064,92 0.269,93 1.376,94 26.115,95 8.964,96 55.793,97 12.18,98 0.264,99 1.169,100 21.162,101 7.399,102 44.969,103 9.923,104 5,105 44,106 0.234,107 0.548,108 0.731,109 0.848,110 0.884,111 0.897,112 3.44,113 0.886,114 -3.6,115 -3.57,116 -3.4,119 48.1,121 1,127 1,135 2,142 10,143 5,144 1,145 4,158 1,163 1,164 1,165 1,172 18,175 3,178 1,180 2,183 22,185 1,188 4,190 1,191 2,192 1,193 3,195 1,196 19,198 1,200 4,205 4,208 12,210 2,212 1,213 5,218 7,221 6,223 4,225 8,227 1,228 1,230 8,233 2,235 4,238 6,243 7,246 4,248 2,249 1,250 4,255 2,258 7,260 1,264 5,267 1,269 1,272 10,274 1,276 1548,277 20.637,278 20.637,279 20.637,280 20.637,281 20.637,282 17.64,283 11.193,284 12.533,285 20.816,286 16.332,287 16.332,288 16.332,289 16.332,290 16.332,291 11.886,292 13.185,293 6,294 16.592,295 4.273,296 2.36,297 1.245,298 0.529,299 0.308,300 0.231,301 4.141,305 1,306 1,307 868,308 3.606,312 382.971,316 144.947,319 2.167,320 21.29,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 63,332 397,333 4.498,334 3.726,335 6.518,336 4.051,337 3.052,338 4.431,339 1.953,340 10.247,341 3.049,342 4.141,343 3.102,344 5.939,345 3.782,346 2.798,347 3.737,348 0.263,349 8.336,350 2.747,351 3.95,352 2.726,353 5.573,354 3.605,355 2.609,356 3.486,358 7.552,359 2.596,360 3.841,361 2.508,362 5.336,363 3.466,364 2.476,365 3.109,367 6.948,368 2.45,369 3.491,370 2.338,371 5.183,372 3.097,373 2.106,374 2.863,376 6.232,377 2.087,378 3.34,379 2.094,380 4.937,381 2.937,382 1.949,383 2.602,385 5.688,386 1.92,387 3.118,388 1.815,389 4.189,390 2.618,391 1.618,392 2.427,394 3.813,395 1.618,396 2.964,397 1.618,398 3.819,399 2.435,400 1.496,401 2.142,403 3.169,404 1.402,405 2.771,406 1.498,407 3.636,408 2.283,409 1.288,410 1.904,412 3.013,413 1.281,414 2.696,415 1.274,416 3.581,417 2.205,418 1.247,419 1.776,421 2.781,422 1.19,423 2.5,424 1.236,425 3.485,426 2.081,427 1.102,428 1.5,430 2.559,431 1.07,432 2.5,433 1,434 3.278,435 1.984,436 1,437 1.454,439 2.136,440 0.983,441 2.306,442 0.972,443 3.247,444 1.802,445 0.808,446 1.089,448 1.899,449 0.801,450 2.215,451 0.609,452 3.081,453 1.588,454 0.602,455 0.979,457 1.406,458 0.593,459 1.215,460 0.456,461 2.764,462 0.892,463 -0.089,464 -0.11,466 -0.225,467 -0.087,468 14.433,469 0.481,470 0.571,471 0.019,472 44,473 1.467,474 25.5,475 0.85,476 18.5,477 0.617,478 20.382,479 0.679,480 29.967,481 0.576,482 32.804,483 1.093,484 8.943,485 0.298,486 5.744,487 0.191,488 0.051,490 0.277,496 0.811,497 1.049,498 0.788,499 0.886,500 0.738,501 0.837,502 0.744,503 1.092,504 0.94,505 1.031,506 0.705,507 1.007,508 0.918,509 0.979,510 1.051,511 1.059,512 0.982,513 1.071,514 1.227,515 1.017,516 1.071,517 1.034,518 1.284,519 1.04,520 1.019,521 1.099,522 0.982,523 1.064,524 1.12,525 1.031,526 1.188,527 1.137,528 0.992,529 1.069,530 1.227,531 1.018,532 1.606,533 1.035,534 1.006,535 0.901,536 1.571,537 0.89,538 1.61,539 0.927,540 1.149,541 0.911,542 1.581,543 0.967,544 5,545 0.116,546 2.667,547 1.375,548 1.409,549 0.729,550 0.533,551 0.347,552 0.214,553 0.171,554 13619,555 34314,556 2.128,557 42.3,559 13,561 4,562 3,564 2,567 1.725,568 2.045,569 3.677,570 0.801,572 1,577 74.219,578 1.427,579 3.34,580 4.456,581 5.171,582 5.393,583 5.47,584 3.083,585 4.507,586 4.88,587 3.863,588 1680.45,589 8.49,590 24527.4,592 1,595 296.423,596 1.159,597 4.862,598 0.152,599 0.004,600 0.061,601 0.031,602 0.037,603 0.019,604 0.014,605 0.01,606 0.007,607 0.006,608 0.342,609 0.33,610 1,611 0.424,612 157.256,613 -0.074,614 0.03,615 0.026,616 0.06,617 -0.101,618 0.057,619 0.037,620 -0.045,621 -0.083,622 -0.074,623 -0.027,624 -0.087,625 0.065,626 0.019,627 -0.112,628 -0.086,629 0.016,630 -0.115,631 -0.117,632 -0.058,633 -0.074,634 -0.046,635 -0.093,636 -0.055,637 0.06,638 -0.134,639 0.012,640 -0.081,641 0.048,642 -0.048,643 0.013,644 -0.141,645 0.019,646 -0.108,647 0.038,648 -0.053,649 -0.138,650 -0.032,651 0.05,652 0.052,653 -0.046,654 0.069,655 -0.204,656 0.1,657 -0.126,658 0.034,659 -0.197,660 -0.025,661 1.994,662 5.655,663 0.733,664 32.213,665 0.994,666 1.114,667 2.365,668 5.595,669 0.699,670 3.526,671 3.807,672 4.043,673 4.263,674 4.477,675 4.419,676 4.5,677 4.575,678 4.654,679 4.575,680 7.768,681 0.664,682 394.51,683 3.526,684 5.043,685 5.872,686 6.723,687 7.565,688 8.419,689 9.266,690 10.123,691 10.973,692 11.83,693 7.7,694 1,700 1,703 2,708 2,709 14,710 2,714 4,716 23,735 52,737 25,738 2,739 33,741 55,742 25,743 20,744 3,745 7,746 2,748 4,749 5,760 2,762 23,763 2,767 2,772 1,774 2,776 1,780 1,783 22,784 5,785 3,786 5,792 4,797 0.75,798 1,809 2,816 4,820 1,829 1,834 2,836 1,843 3,851 30,852 1,858 1,860 1,863 1,874 1.9,877 1,881 14.667,882 9.067,883 6.667,884 2.933,886 4.843,887 1.636,888 1.012,889 6.05,890 12.454,891 3.861,892 4.449,893 5.034,894 5.6,895 6.159,896 6.3,897 6.675,898 7.013,899 7.375,900 7.351,901 0.889,902 44,903 11.053,905 4.66,906 7.7,907 21.084,909 17.122,911 2.2,912 66,915 1,916 223.651,917 174.603,918 84.479,920 25.145,923 174.603,924 248.796,925 84.479,927 53.442,928 113.715,929 110.505,930 53.649,932 176.567,934 223.651,935 259.082,936 25.145,939 200.109,940 48.687,943 89.632,944 116.927,945 52.524,947 223.651,948 109.624,949 174.603,952 223.651,953 24.699,954 149.905,955 18.011,956 91.613,957 223.651,958 109.624,959 174.603,961 0.57,962 0.329,963 0.176,964 0.097,965 20,966 8,967 0.109,968 6,969 1,970 1.091,971 4.325,972 255.165,973 0.091,974 22,975 141.207,981 19.658,982 9.232,983 5.052,984 2.258,985 109.624,986 26.715,987 8.22,991 3.594,993 50.908,994 507.878,995 46.5,1000 12.655,1002 3.907,1004 -0.236,1007 51.687,1008 57.939,1009 0.25,1010 0.586,1011 0.782,1012 0.907,1013 0.946,1014 0.96,1015 5.055,1016 1.496,1017 5.82,1018 3.813,1019 4.489,1020 5.136,1021 2.027,1022 6.564,1023 4.462,1024 6.247,1025 1.288,1026 7.332,1027 3.169,1028 3.892,1029 4.732,1030 1.593,1031 7.31,1032 3.877,1033 7.528,1034 1.247,1035 8.944,1036 3.013,1037 6.014,1038 7.323,1039 3.019,1040 10.399,1041 5.97,1042 8.845,1043 1.102,1044 10.617,1045 2.781,1046 6.256,1047 7.786,1048 3.114,1049 12.008,1050 6.227,1051 10.194,1052 1,1053 12.331,1054 2.559,1055 7.805,1056 9.798,1057 4.198,1058 14.587,1059 7.75,1060 11.566,1061 0.808,1062 14.072,1063 2.136,1064 8.459,1065 10.722,1066 4.555,1067 16.574,1068 8.417,1069 12.957,1070 0.602,1071 15.834,1072 1.899,1073 9.75,1074 12.455,1075 5.456,1076 18.977,1077 9.689,1078 3.052,1079 -0.089,1080 17.612,1081 1.406,1082 10.616,1083 13.637,1084 5.952,1085 21.139,1086 10.563,1087 2.798,1088 10.247,1089 19.402,1090 -0.225,1091 11.789,1092 15.232,1093 6.751,1094 23.481,1095 11.723,1096 2.609,1097 8.336,1098 21.203,1099 4.431,1100 12.764,1101 16.556,1102 7.324,1103 25.726,1104 12.703,1105 2.476,1106 7.552,1107 23.013,1108 3.737,1109 13.885,1110 18.085,1111 8.066,1112 28.05,1113 13.816,1114 2.106,1115 6.948,1116 24.831,1117 3.486,1118 14.916,1119 19.484,1120 8.682,1121 30.335,1122 14.85,1123 1.949,1124 6.232,1125 26.655,1126 3.109,1127 16.017,1128 20.984,1129 9.392,1130 32.655,1131 15.947,1132 1.618,1133 5.688,1134 28.485,1135 2.863,1136 17.078,1137 22.424,1138 10.031,1139 34.959,1140 17.01,1141 12727,1142 20327,1143 22.652,1144 36.33,1145 49.206,1146 49.432,1147 49.135,1148 48.292,1149 48.304,1150 67,1151 4.432,1152 131.554,1153 47.574,1154 5.396,1155 5.726,1156 6.32,1157 5.09,1158 5.052,1159 7.431,1160 3.416,1161 17.115,1162 5.049,1163 9.769,1164 1.491,1165 1.498,1166 1.489,1167 1.463,1168 1.464,1169 2.03,1170 0.134,1171 3.986,1172 1.442,1173 4.099,1174 4.121,1175 4.05,1176 4.06,1177 7.429,1178 4.055,1179 3.954,1180 3.99,1181 3.902,1182 3.87,1183 5.003,1184 3.873,1185 3.827,1186 3.87,1187 3.771,1188 3.712,1189 4.939,1190 3.721,1191 3.652,1192 3.7,1193 3.568,1194 3.507,1195 4.876,1196 3.511,1197 3.445,1198 3.49,1199 3.348,1200 3.334,1201 4.865,1202 3.334,1203 3.28,1204 3.34,1205 3.179,1206 3.151,1207 4.331,1208 3.15,1209 3.108,1210 3.161,1211 3.01,1212 2.966,1213 4.255,1214 2.97,1215 2.939,1216 3.035,1217 2.8,1218 2.735,1219 3.985,1220 2.721,1221 0.136,1222 0.113,1223 0.198,1224 0.123,1225 0.092,1226 4.498,1227 0.134,1228 3.726,1229 0.059,1230 6.518,1231 0.311,1232 4.051,1233 0.092,1234 3.052,1235 4.431,1236 1.953,1237 10.247,1238 3.049,1239 2.085,1240 2.066,1241 2.171,1242 2.139,1243 1.348,1244 2.151,1245 1.918,1246 1.887,1247 2.017,1248 2.028,1249 1.083,1250 2.026,1251 1.792,1252 1.755,1253 1.899,1254 1.935,1255 1.007,1256 1.928,1257 1.615,1258 1.571,1259 1.792,1260 1.799,1261 0.92,1262 1.797,1263 1.44,1264 1.397,1265 1.627,1266 1.58,1267 0.667,1268 1.6,1269 1.266,1270 1.213,1271 1.458,1272 1.439,1273 0.483,1274 1.449,1275 1.077,1276 1.033,1277 1.287,1278 1.278,1279 0.344,1280 1.279,1281 0.886,1282 0.821,1283 1.181,1284 1.187,1285 0.218,1286 1.184,1287 4.205,1289 5.493,1291 6.98,1293 8.554,1295 10.171,1301 6.208,1303 0.461,1305 2.878,1308 -0.66,1314 34.542,1315 74.219,1316 173.694,1317 231.694,1318 268.913,1319 280.423,1320 284.423,1321 47.942,1322 7.611,1323 80.9,1324 80.9,1325 24,1326 12.384,1327 4.7,1328 3.858,1329 47.267,1330 141,1331 138,1332 0.159,1333 214.123,1334 366.49,1335 514.219,1336 25134,1338 20.761,1339 0.692,1340 0.547,1341 20.761,1342 16.402,1343 14.687,1344 0.445,1345 0.295,1346 9.675,1347 14.373,1348 9.455,1349 7.879,1350 14.687,1351 9.751,1352 12.805,1353 0.291,1354 0.16,1355 12.805,1356 7.059,1357 10.674,1358 0.191,1359 0.087,1360 10.674,1361 4.858,1362 8.658,1363 0.124,1364 0.047,1365 8.658,1366 3.319,1367 7.126,1368 0.082,1369 0.026,1370 7.126,1371 2.259,1372 0.258,1373 90.394,1374 0.21,1375 28.955,1376 0.417,1377 154,1378 402.671,1379 162.07,1380 405.613,1381 558.38,1382 380,1383 177,1384 409.749,1385 185.099,1386 423.703,1387 608.19,1388 399,1389 5.1}
{0 CHEMBL1985723,1 1.53,2 9.261,3 2.707,4 7.326,5 95.867,6 7.671,7 0.64,8 3.853,9 3.995,10 3.44,11 3.398,12 4.942,13 3.365,14 4.368,15 4.559,16 3.838,17 3.808,18 5.4,19 3.751,20 4.624,21 4.832,22 3.845,23 3.953,24 5.597,25 3.847,26 4.807,27 5.105,28 3.786,29 3.921,30 5.697,31 3.784,32 4.609,33 4.879,34 3.736,35 3.818,36 5.502,37 3.687,38 4.446,39 4.668,40 3.784,41 3.733,42 5.521,43 3.63,44 4.392,45 4.622,46 3.71,47 3.678,48 5.421,49 3.545,50 4.305,51 4.524,52 3.366,53 3.553,54 5.316,55 3.377,56 0.042,57 0.664,58 8.886,59 3.51,60 9.636,61 4.985,62 0.186,63 1.03,64 17.065,65 6.152,66 23.721,67 8.83,68 0.111,69 1.25,70 22.836,71 8.226,72 22.487,73 11.845,74 0.403,75 1.3,76 32.001,77 9.158,78 48.449,79 13.879,80 0.201,81 1.078,82 27.185,83 8.389,84 28.845,85 12.173,86 0.316,87 0.965,88 23.973,89 6.489,90 35.02,91 9.198,92 0.248,93 0.863,94 22.958,95 6.748,96 29.241,97 9.444,98 0.256,99 0.731,100 26.457,101 6.669,102 34.096,103 9.045,104 21,105 36,106 0.267,107 0.652,108 0.803,109 0.852,110 0.852,111 0.852,112 3.189,113 0.948,114 -3.99,115 -3.94,116 -3.73,119 39.5,120 2,123 1,125 2,142 4,143 3,145 1,147 2,151 1,161 1,163 1,164 1,165 1,172 8,175 5,178 2,180 5,183 8,185 1,188 3,193 7,196 5,198 2,200 3,204 1,205 6,207 1,208 6,213 5,218 1,221 6,225 1,227 1,228 2,229 1,230 3,233 6,235 1,237 1,238 2,241 1,243 2,246 8,248 1,255 4,258 3,260 3,264 1,269 3,272 3,274 1,276 710,277 15.248,278 15.248,279 15.248,280 15.248,281 15.248,282 13.406,283 11.088,284 8.763,285 15.641,286 12.259,287 12.259,288 12.259,289 12.259,290 12.259,291 9.469,292 16.907,293 4.09,294 12.949,295 3.896,296 1.691,297 0.826,298 0.547,299 0.547,300 0.547,301 3.865,303 1,304 1,305 1,306 1,307 452,308 3.464,311 46.555,312 131.98,315 88.521,319 1.49,320 16.568,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 48.833,332 213,333 4.6,334 3.229,335 6.715,336 4.176,337 3.186,338 4.535,339 0.4,340 10.928,341 3.159,342 4.201,343 3.181,344 6.69,345 4.143,346 3.159,347 3.814,349 10.767,350 3.108,351 4.114,352 2.95,353 5.853,354 3.647,355 2.713,356 3.179,358 8.267,359 2.538,360 3.557,361 2.43,362 5.358,363 3.131,364 2.187,365 2.937,367 6.772,368 2.056,369 3.29,370 2.249,371 4.794,372 2.823,373 1.965,374 2.538,376 5.392,377 1.614,378 3.046,379 1.547,380 4.503,381 2.513,382 1.547,383 2.319,385 4.24,386 1.49,387 2.921,388 1.476,389 4.006,390 2.391,391 1.442,392 2.118,394 3.449,395 1.341,396 2.526,397 1.063,398 3.594,399 1.999,400 1.033,401 1.539,403 2.563,404 0.992,405 1.975,406 0.963,407 3.562,408 1.663,409 0.732,410 0.791,412 1.667,413 0.679,414 1.826,415 0.627,416 3.094,417 1.43,418 0.487,419 0.713,421 1.174,422 0.458,423 1.37,424 0.489,425 2.906,426 1.27,427 0.34,428 0.348,430 0.479,431 0.316,432 0.957,433 0.208,434 2.582,435 0.455,436 -0.387,437 -0.491,439 -0.993,440 -0.249,441 0.842,442 -0.437,443 2.524,444 0.424,445 -0.526,446 -0.671,448 -1.516,449 -0.5,450 0.667,451 -0.662,452 2.134,453 0.148,454 -0.777,455 -0.954,457 -1.971,458 -0.688,459 0.564,460 -0.843,461 2,462 0.083,463 -0.854,464 -1,466 -2.148,467 -0.82,468 11.214,469 0.488,470 0.69,471 0.03,472 29.5,473 1.283,474 14.5,475 0.63,476 15,477 0.652,478 19.53,479 0.849,480 24.786,481 0.576,482 19.596,483 0.852,484 5.58,485 0.243,486 5.403,487 0.235,488 0.189,489 0.045,490 0.268,496 0.957,497 1.305,498 0.684,499 0.931,500 1.042,501 0.896,502 0.703,503 0.999,504 0.651,505 0.85,506 0.649,507 0.833,508 0.871,509 1.41,510 0.909,511 1.241,512 0.794,513 1.205,514 0.969,515 0.709,516 0.71,517 0.656,518 1.025,519 0.733,520 0.914,521 0.975,522 0.87,523 0.863,524 0.773,525 0.829,526 1.334,527 0.965,528 1.319,529 1.034,530 1.295,531 1.026,532 1.119,533 0.978,534 1.253,535 1.07,536 1.077,537 1.058,538 1.675,539 1.106,540 2.214,541 1.577,542 1.592,543 1.415,544 6,545 0.082,546 2.667,547 1.507,548 1.241,549 0.583,550 0.66,551 0.359,552 0.215,553 0.18,554 5320,555 13841,556 2.031,557 46.5,558 6,559 8,560 1,561 1,562 4,567 1.659,568 1.878,569 3.181,570 1.822,571 1,572 1,574 1,577 65.794,578 1.53,579 3.735,580 4.6,581 4.88,582 4.88,583 4.88,584 2.666,585 4.263,586 4.496,587 3.337,588 844.158,589 7.75,590 9524.41,592 1,594 1,595 233.329,596 1.631,597 4.433,598 0.24,599 0.008,600 0.074,601 0.044,602 0.041,603 0.02,604 0.024,605 0.015,606 0.013,607 0.013,608 0.492,609 0.17,610 1,611 1.422,612 107.001,613 -0.123,614 -0.061,615 0.008,616 0.04,617 -0.196,618 0.049,619 0.148,620 0.14,621 0.116,622 0.121,623 0.155,624 0.128,625 -0.065,626 -0.347,627 -0.104,628 -0.261,629 -0.02,630 -0.232,631 -0.006,632 0.223,633 0.155,634 0.265,635 -0.03,636 0.225,637 0.009,638 -0.057,639 0.145,640 0.135,641 0.084,642 0.173,643 0.001,644 0.082,645 -0.082,646 -0.045,647 -0.099,648 -0.079,649 0.071,650 0.003,651 0.011,652 -0.035,653 0.066,654 -0.068,655 -0.254,656 -0.197,657 -0.505,658 -0.444,659 -0.201,660 -0.384,661 1.255,662 2.089,663 0.652,664 17.951,665 0.998,666 1.134,667 2.757,668 7.6,669 0.674,670 3.258,671 3.611,672 3.829,673 4.078,674 4.29,675 4.369,676 4.511,677 4.605,678 4.595,679 4.585,680 5.565,681 0.631,682 329.87,683 3.258,684 4.812,685 5.652,686 6.544,687 7.405,688 8.3,689 9.172,690 10.068,691 10.946,692 11.842,693 11.6,694 1,698 1,701 1,703 2,708 2,709 6,710 2,711 1,714 4,716 16,728 1,734 1,735 43,737 16,739 25,741 45,742 17,743 12,748 3,749 4,750 1,754 3,755 1,762 12,763 5,779 1,780 1,783 20,784 4,785 4,786 6,787 1,792 5,797 0.667,809 2,811 1,815 1,816 2,819 1,836 1,843 2,847 2,848 1,851 23,852 1,858 2,860 1,865 1,873 1,881 12.25,882 8.126,883 5,884 2.412,886 3.208,887 1.459,888 0.982,889 4.463,890 10.192,891 3.526,892 4.171,893 4.77,894 5.409,895 5.952,896 6.311,897 6.763,898 7.206,899 7.409,900 7.753,901 1,902 34,903 8.444,905 3.526,906 7.646,907 16.245,909 13.295,911 2.146,912 49.361,915 1,916 188.338,917 93.921,918 101.265,919 39.149,923 93.921,924 227.486,925 101.265,926 17.65,927 37.109,928 46.952,929 65.068,930 34.777,931 56.319,932 164.795,934 188.338,935 195.185,937 39.149,939 188.338,943 82.307,944 61.296,945 51.582,946 39.149,947 188.338,948 101.265,949 133.069,952 188.338,953 20.271,954 73.65,955 34.796,956 105.617,957 188.338,958 101.265,959 133.069,961 0.59,962 0.332,963 0.167,964 0.092,965 18,966 8,967 0.111,968 5,969 1,970 1.133,971 3.457,972 183.25,973 0.133,974 15,975 102.042,981 16.092,982 6.379,983 3.594,984 1.914,985 84.479,986 11.518,987 8.667,988 3.179,991 3.247,993 67.693,994 422.672,995 33,1007 42.902,1008 48.757,1009 0.282,1010 0.688,1011 0.848,1012 0.899,1013 0.899,1014 0.899,1015 4.771,1016 1.033,1017 5.687,1018 3.449,1019 4.29,1020 4.856,1021 0.278,1022 6.535,1023 4.196,1024 6.014,1025 0.732,1026 7.277,1027 2.563,1028 4.111,1029 4.783,1031 7.735,1032 4.005,1033 7.35,1034 0.487,1035 8.973,1036 1.667,1037 5.984,1038 7.129,1039 0.05,1040 10.693,1041 5.846,1042 8.722,1043 0.34,1044 10.732,1045 1.174,1046 6.581,1047 7.854,1049 12.647,1050 6.454,1051 10.123,1052 -0.387,1053 12.529,1054 0.479,1055 7.987,1056 9.712,1057 0.008,1058 15.204,1059 7.833,1060 11.544,1061 -0.526,1062 14.353,1063 -0.993,1064 8.903,1065 10.829,1067 17.425,1068 8.76,1069 12.98,1070 -0.777,1071 16.194,1072 -1.516,1073 10.142,1074 12.48,1075 0.001,1076 19.863,1077 9.98,1078 3.186,1079 -0.854,1080 18.048,1081 -1.971,1082 11.192,1083 13.795,1085 22.182,1086 11.034,1087 3.159,1088 10.928,1089 19.912,1090 -2.148,1091 12.372,1092 15.357,1094 24.583,1095 12.199,1096 2.713,1097 10.767,1098 21.783,1099 4.535,1100 13.478,1101 16.77,1103 26.94,1104 13.304,1105 2.187,1106 8.267,1107 23.66,1108 3.814,1109 14.636,1110 18.295,1112 29.329,1113 14.451,1114 1.965,1115 6.772,1116 25.541,1117 3.179,1118 15.767,1119 19.756,1121 31.701,1122 15.576,1123 1.547,1124 5.392,1125 27.426,1126 2.937,1127 16.918,1128 21.266,1130 34.086,1131 16.718,1132 1.442,1133 4.24,1134 29.314,1135 2.538,1136 18.06,1137 22.751,1139 36.465,1140 17.853,1141 5275,1142 8651,1143 16.296,1144 28.978,1145 37.811,1146 38.175,1147 38.79,1148 37.691,1149 37.581,1150 49.661,1151 0.8,1152 111.394,1153 35.502,1154 5.465,1155 5.229,1156 6.396,1157 5.222,1158 5.186,1159 7.535,1160 0.8,1161 18.108,1162 5.106,1163 12.042,1164 1.512,1165 1.527,1166 1.552,1167 1.508,1168 1.503,1169 1.986,1170 0.032,1171 4.456,1172 1.42,1173 4.129,1174 4.167,1175 4.117,1176 4.031,1177 5.104,1178 4.042,1179 3.86,1180 3.915,1181 3.92,1182 3.726,1183 5.009,1184 3.734,1185 3.737,1186 3.788,1187 3.657,1188 3.626,1189 4.986,1190 3.618,1191 3.367,1192 3.433,1193 3.37,1194 3.219,1195 4.427,1196 3.223,1197 3.165,1198 3.278,1199 3.236,1200 2.924,1201 4.344,1202 2.927,1203 3.056,1204 3.173,1205 2.948,1206 2.763,1207 4.157,1208 2.756,1209 2.888,1210 3.009,1211 2.811,1212 2.709,1213 3.938,1214 2.722,1215 2.874,1216 2.945,1217 2.664,1218 2.618,1219 3.746,1220 2.57,1221 0.184,1222 0.129,1223 0.269,1224 0.167,1225 0.127,1226 4.6,1227 0.181,1228 3.229,1229 0.016,1230 6.715,1231 0.437,1232 4.176,1233 0.126,1234 3.186,1235 4.535,1236 0.4,1237 10.928,1238 3.159,1239 1.932,1240 1.908,1241 2.026,1242 2.034,1243 1.298,1244 2.032,1245 1.811,1246 1.763,1247 1.979,1248 1.977,1249 1.126,1250 1.978,1251 1.741,1252 1.693,1253 1.853,1254 1.896,1255 0.906,1256 1.896,1257 1.392,1258 1.328,1259 1.544,1260 1.626,1261 0.586,1262 1.612,1263 1.108,1264 1.016,1265 1.458,1266 1.448,1267 0.489,1268 1.461,1269 1.043,1270 0.945,1271 1.417,1272 1.342,1273 0.477,1274 1.368,1275 0.986,1276 0.914,1277 1.383,1278 1.239,1279 0.469,1280 1.308,1281 0.934,1282 0.804,1283 1.153,1284 1.133,1285 0.273,1286 1.147,1287 3.932,1289 5.273,1290 2.398,1291 6.799,1292 4.727,1293 8.404,1294 6.843,1295 10.052,1297 4.216,1298 6.2,1301 5.772,1303 1.327,1305 3.326,1310 -0.005,1314 27.149,1315 65.794,1316 160.6,1317 197.82,1318 209.82,1319 209.82,1320 209.82,1321 33.801,1322 6.985,1323 79.62,1324 79.62,1325 17,1326 12.37,1327 4.087,1328 3.17,1329 36.775,1330 76,1331 77,1332 0.24,1333 173.473,1334 284.61,1335 415.033,1336 9200,1337 2.3,1338 16.449,1339 0.715,1340 0.608,1341 16.949,1342 13.984,1343 10.982,1344 0.439,1345 0.316,1346 7.471,1347 10.384,1348 7.162,1349 6.014,1350 11.271,1351 7.902,1352 10.444,1353 0.29,1354 0.188,1355 10.853,1356 6.775,1357 8.257,1358 0.183,1359 0.09,1360 8.493,1361 4.05,1362 6.524,1363 0.112,1364 0.044,1365 6.842,1366 2.548,1367 5.266,1368 0.073,1369 0.024,1370 5.509,1371 1.704,1372 0.37,1373 71.193,1374 0.248,1375 22.382,1376 0.674,1377 122,1378 307.472,1379 146.19,1380 338.749,1381 461.4,1382 316,1383 142,1384 325.229,1385 160.251,1386 345.184,1387 503.47,1388 323,1389 6.5}
{0 CHEMBL1986139,1 1.773,2 6.647,3 3.726,4 13.884,5 71.596,6 10.47,7 0.842,8 3.369,9 3.458,10 3.295,11 3.099,12 4.562,13 3.047,14 3.804,15 3.913,16 3.674,17 3.458,18 4.995,19 3.385,20 3.948,21 4.108,22 3.76,23 3.463,24 5.066,25 3.361,26 3.87,27 4.06,28 3.572,29 3.246,30 5.044,31 3.172,32 3.706,33 3.898,34 3.219,35 3.18,36 4.76,37 3.064,38 3.57,39 3.723,40 3.266,41 3.161,42 4.699,43 3.039,44 3.547,45 3.714,46 3.088,47 3.053,48 4.631,49 2.858,50 3.143,51 3.366,52 2.364,53 2.469,54 4.096,55 2.199,56 0.038,57 0.363,58 2.058,59 1.755,60 3.301,61 1.835,62 0.113,63 0.599,64 5.312,65 3.119,66 7.991,67 3.136,68 0.137,69 0.646,70 11.816,71 4.171,72 11.305,73 4.296,74 0.254,75 0.636,76 10.805,77 3.941,78 17.749,79 3.966,80 0.139,81 0.497,82 9.602,83 3.55,84 12.926,85 3.743,86 0.084,87 0.409,88 6.432,89 2.889,90 9.123,91 3.334,92 0.115,93 0.409,94 10.513,95 3.554,96 11.347,97 3.56,98 0.103,99 0.27,100 10.415,101 2.919,102 10.132,103 2.949,104 2,105 26,106 0.346,107 0.646,108 0.762,109 0.821,110 0.843,111 0.843,112 2.909,113 0.995,114 -4.6,115 -4.52,116 -4.25,119 48,142 5,143 1,144 2,147 1,148 1,151 1,161 1,172 4,174 1,175 3,178 1,180 3,183 6,193 2,196 3,200 5,203 1,205 3,208 2,213 2,221 2,225 3,233 5,238 2,246 4,250 1,258 2,276 302,277 11.776,278 11.776,279 11.776,280 11.776,281 11.776,282 9.823,283 11.088,284 7.097,285 12.263,286 9.405,287 9.405,288 9.405,289 9.405,290 9.405,291 6.594,292 19.407,293 3.383,294 10.273,295 2.871,296 1.33,297 0.735,298 0.43,299 0.32,300 0.32,301 3.59,302 1,305 1,306 1,307 248,308 1.871,311 30.955,312 86.178,315 58.616,319 1.003,320 10.381,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 35.833,332 113,333 4.618,334 3.343,335 6.771,336 4.096,337 3.17,338 4.582,339 0.4,340 11.065,341 2.923,342 3.915,343 2.727,344 5.487,345 3.495,346 2.538,347 3.461,349 7.329,350 2.432,351 3.451,352 2.352,353 5.042,354 2.931,355 2.031,356 2.841,358 5.821,359 1.799,360 3.341,361 2.037,362 4.906,363 2.755,364 1.904,365 2.701,367 5.324,368 1.572,369 2.878,370 1.473,371 3.867,372 2.404,373 1.429,374 2.041,376 3.066,377 1.387,378 2.643,379 1.285,380 3.602,381 2.07,382 1.173,383 1.709,385 2.803,386 1.016,387 2.5,388 1,389 3.347,390 2,391 1,392 1.5,394 2.136,395 1,396 2.253,397 0.881,398 3.247,399 1.612,400 0.808,401 1.148,403 1.971,404 0.628,405 1.33,406 0.319,407 2.779,408 0.933,409 0.031,410 0.038,412 0.078,413 0.027,414 0.811,415 -0.122,416 2.323,417 0.322,418 -0.57,419 -0.723,421 -1.355,422 -0.352,423 0.771,424 -0.542,425 2,426 0.155,427 -0.623,428 -0.853,430 -1.452,431 -0.582,432 0.5,433 -1,434 1.926,436 -1,437 -1.5,439 -2.347,440 -0.979,441 0.293,442 -1.068,443 1.555,444 -0.199,445 -1.133,446 -1.624,448 -2.996,449 -1,450 0.127,451 -1.136,452 1.447,453 -0.427,454 -1.258,455 -1.752,457 -3.227,458 -1.107,459 -0.293,460 -1.611,461 1.372,462 -0.821,463 -1.716,464 -2.226,466 -4.756,467 -1.385,468 8.748,469 0.515,470 0.329,471 0.019,472 25.75,473 1.515,474 14.5,475 0.853,476 11.25,477 0.662,478 10.197,479 0.6,480 16.452,481 0.658,482 13.946,483 0.82,484 4.938,485 0.29,486 3.406,487 0.2,488 0.082,490 0.286,496 0.779,497 1.062,498 0.568,499 0.69,500 0.706,501 0.673,502 0.726,503 1.023,504 0.782,505 0.931,506 0.733,507 0.867,508 1.084,509 1.236,510 0.747,511 0.857,512 1.053,513 0.944,514 0.657,515 1.099,516 0.767,517 1.028,518 0.617,519 0.942,520 1.17,521 0.746,522 0.968,523 0.798,524 1.141,525 0.903,526 0.947,527 0.838,528 0.922,529 0.835,530 0.939,531 0.95,532 1.322,533 1.001,534 1.611,535 1.395,536 1.387,537 1.364,538 1.464,539 0.986,540 1.912,541 1.603,542 1.58,543 1.48,544 2.5,546 1.556,547 1.222,548 0.564,549 0.33,550 0.212,551 0.094,552 0.03,554 2390,555 7923,556 2.163,557 32,559 5,560 1,561 1,562 1,567 1.572,568 2.082,569 2.768,570 -0.198,574 1,577 44.322,578 1.773,579 3.313,580 3.909,581 4.214,582 4.324,583 4.324,584 2.133,585 3.337,586 4.064,587 2.871,588 390.441,589 6.878,590 3494.06,591 1,592 1,594 1,595 116.096,596 1.166,597 4.043,598 0.132,600 0.06,601 0.051,602 0.028,603 0.021,604 0.013,605 0.009,606 0.007,608 0.32,609 0.67,610 1,611 0.481,612 69.256,613 -0.101,614 -0.08,615 0.013,616 0.045,617 -0.119,618 0.034,619 0.078,620 -0.003,621 -0.049,622 -0.091,623 -0.01,624 -0.1,625 -0.075,626 -0.265,627 0.146,628 0.023,629 -0.112,630 -0.041,631 0.444,632 -0.055,633 0.141,634 -0.101,635 0.383,636 0.012,637 -0.226,638 0.192,639 -0.065,640 0.124,641 -0.15,642 0.101,643 -0.103,644 0.029,645 -0.011,646 0.066,647 0.002,648 0.01,649 -0.282,650 -0.096,651 -0.334,652 -0.249,653 -0.246,654 -0.302,655 -0.283,656 -0.088,657 -0.381,658 -0.26,659 -0.252,660 -0.212,661 0.982,662 2.023,663 0.882,664 8.865,665 1.014,666 1.104,667 3.37,668 11.36,669 0.792,670 2.996,671 3.296,672 3.584,673 3.871,674 4.007,675 3.97,676 4.043,677 4.111,678 3.989,679 3.892,680 4.227,681 0.746,682 261.75,683 2.996,684 4.511,685 5.361,686 6.236,687 7.104,688 7.988,689 8.862,690 9.75,691 10.628,692 11.518,693 12,701 1,703 2,708 2,709 7,710 2,713 1,714 3,716 16,728 1,734 1,735 25,737 16,738 1,739 19,741 27,742 12,743 12,744 1,745 5,748 3,749 4,750 1,762 12,780 1,783 8,784 3,785 1,786 5,787 2,792 3,797 0.667,810 1,815 1,816 2,819 1,843 2,845 1,848 1,851 17,860 1,869 1,873 1,881 8.167,882 4.543,883 3.75,884 1.373,886 3.107,887 1.487,888 1.045,889 2.849,890 9.49,891 3.332,892 3.984,893 4.631,894 5.268,895 5.738,896 5.95,897 6.348,898 6.761,899 6.834,900 7.066,901 1,902 24,903 6.211,905 2.617,906 7.663,907 11.842,909 9.61,911 2.163,912 36.778,913 0.002,916 82.398,917 106.402,918 51.582,919 39.149,922 31.278,923 75.124,924 121.546,925 51.582,928 55.03,929 45.659,930 35.46,931 14.099,932 90.133,933 39.149,934 82.398,935 126.706,937 70.426,939 82.398,943 26.946,944 66.189,945 72.72,946 31.278,947 82.398,948 51.582,949 145.55,952 82.398,953 42.753,954 63.649,955 18.011,956 72.72,957 82.398,958 51.582,959 145.55,961 0.573,962 0.339,963 0.195,964 0.1,965 14,966 5,967 0.074,968 2,969 1,970 1.133,971 3.013,972 121.378,973 0.133,974 15,975 65.487,977 1,981 10.781,982 4.492,983 2.07,984 1.77,985 51.582,986 13.282,987 8.423,990 1.516,991 2.409,993 18.011,994 279.53,995 27,1007 25.356,1008 27.605,1009 0.382,1010 0.714,1011 0.842,1012 0.907,1013 0.931,1014 0.931,1015 4.522,1016 0.808,1017 5.323,1018 2.136,1019 3.97,1020 4.668,1021 0.278,1022 6.125,1023 3.801,1024 5.737,1025 0.031,1026 6.866,1027 1.971,1028 3.434,1029 4.407,1031 7.024,1032 3.154,1033 7.042,1034 -0.57,1035 8.517,1036 0.078,1037 5.533,1038 6.956,1039 0.05,1040 10.169,1041 5.226,1042 8.393,1043 -0.623,1044 10.235,1045 -1.355,1046 5.889,1047 7.623,1049 11.995,1050 5.471,1051 9.78,1052 -1,1053 12.001,1054 -1.452,1055 7.419,1056 9.576,1057 0.008,1058 14.64,1059 6.973,1060 11.196,1061 -1.133,1062 13.8,1063 -2.347,1064 8.204,1065 10.698,1067 16.829,1068 7.647,1069 12.635,1070 -1.258,1071 15.624,1072 -2.996,1073 9.498,1074 12.397,1075 0.001,1076 19.314,1077 8.899,1078 3.17,1079 -1.716,1080 17.468,1081 -3.227,1082 10.485,1083 13.738,1085 21.639,1086 9.78,1087 2.538,1088 11.065,1089 19.327,1090 -4.756,1091 11.685,1092 15.33,1094 24.07,1095 10.922,1096 2.031,1097 7.329,1098 21.197,1099 4.582,1100 12.763,1101 16.771,1103 26.445,1104 11.9,1105 1.904,1106 5.821,1107 23.076,1108 3.461,1109 13.929,1110 18.32,1112 28.859,1113 12.997,1114 1.429,1115 5.324,1116 24.962,1117 2.841,1118 15.047,1119 19.806,1121 31.252,1122 14.021,1123 1.173,1124 3.066,1125 26.854,1126 2.701,1127 16.201,1128 21.338,1130 33.659,1131 15.099,1132 1,1133 2.803,1134 28.751,1135 2.041,1136 17.338,1137 22.844,1139 36.058,1140 16.145,1141 2313,1142 4336,1143 13.118,1144 19.807,1145 28.462,1146 28.597,1147 28.833,1148 28.298,1149 28.166,1150 40.045,1151 0.8,1152 79.19,1153 25.566,1154 5.375,1155 5.343,1156 6.573,1157 5.207,1158 5.17,1159 7.582,1160 0.8,1161 17.93,1162 4.923,1163 4.649,1164 1.498,1165 1.505,1166 1.518,1167 1.489,1168 1.482,1169 2.108,1170 0.042,1171 4.168,1172 1.346,1173 4.055,1174 4.075,1175 4.362,1176 4.038,1177 5.112,1178 3.992,1179 3.863,1180 3.892,1181 3.824,1182 3.81,1183 4.77,1184 3.798,1185 3.294,1186 3.338,1187 3.498,1188 3.156,1189 4.679,1190 3.143,1191 3.046,1192 3.124,1193 3.416,1194 2.855,1195 4.122,1196 2.863,1197 2.854,1198 2.925,1199 2.899,1200 2.735,1201 3.922,1202 2.715,1203 2.651,1204 2.695,1205 2.687,1206 2.621,1207 3.674,1208 2.553,1209 2.358,1210 2.414,1211 2.515,1212 2.256,1213 3.57,1214 2.226,1215 2.163,1216 2.238,1217 2.195,1218 2.013,1219 3.176,1220 1.961,1221 0.243,1222 0.176,1223 0.356,1224 0.216,1225 0.167,1226 4.618,1227 0.241,1228 3.343,1229 0.021,1230 6.771,1231 0.582,1232 4.096,1233 0.154,1234 3.17,1235 4.582,1236 0.4,1237 11.065,1238 2.923,1239 1.906,1240 1.874,1241 2.017,1242 2.022,1243 1.076,1244 2.019,1245 1.759,1246 1.734,1247 1.781,1248 1.878,1249 0.913,1250 1.87,1251 1.369,1252 1.378,1253 1.309,1254 1.396,1255 0.559,1256 1.456,1257 0.971,1258 0.907,1259 1.181,1260 1.208,1261 0.231,1262 1.206,1263 0.886,1264 0.821,1265 1.179,1266 1.062,1267 0.218,1268 1.107,1269 0.808,1270 0.767,1271 0.89,1272 0.912,1273 0.016,1274 0.967,1275 0.477,1276 0.4,1277 0.735,1278 0.738,1280 0.76,1283 0.381,1284 0.26,1286 0.261,1287 3.664,1289 4.963,1290 2.398,1291 6.469,1292 4.727,1293 8.071,1294 6.823,1295 9.722,1298 6.134,1305 3.245,1314 18.659,1315 44.322,1316 82.835,1317 97.732,1318 105.342,1319 108.096,1320 108.096,1321 16.614,1322 6.384,1323 37.81,1324 66.05,1325 17,1326 12.05,1327 4.087,1328 3.17,1329 23.662,1330 42,1331 41,1332 0.28,1333 123.053,1334 194.62,1335 292.01,1336 4301,1337 4,1338 11.665,1339 0.686,1340 0.606,1341 12.518,1342 10.295,1343 8.343,1344 0.439,1345 0.332,1346 5.1,1347 7.427,1348 4.885,1349 4.048,1350 9.086,1351 6.299,1352 7.323,1353 0.282,1354 0.182,1355 8.244,1356 4.742,1357 6.249,1358 0.179,1359 0.105,1360 7.393,1361 3.676,1362 5.473,1363 0.116,1364 0.058,1365 6.692,1366 2.728,1367 4.194,1368 0.078,1369 0.031,1370 5.173,1371 1.647,1372 0.42,1373 59.093,1374 0.276,1375 16.887,1376 0.826,1377 90,1378 264.687,1379 133.964,1380 314.227,1381 425.47,1382 294,1383 106,1384 280.446,1385 146.842,1386 311.008,1387 455.61,1388 292,1389 5.1}
{0 CHEMBL1986186,1 1.54,2 7.95,3 1.604,4 2.573,5 78.31,6 7.009,7 0.286,8 3.741,9 3.863,10 3.231,11 3.238,12 4.905,13 3.212,14 4.213,15 4.413,16 3.562,17 3.552,18 5.281,19 3.516,20 4.45,21 4.648,22 3.602,23 3.694,24 5.678,25 3.611,26 4.654,27 4.955,28 3.396,29 3.686,30 5.587,31 3.537,32 4.425,33 4.687,34 3.48,35 3.59,36 5.401,37 3.505,38 4.33,39 4.489,40 3.532,41 3.52,42 5.638,43 3.493,44 4.424,45 4.629,46 3.255,47 3.405,48 5.716,49 3.339,50 4.261,51 4.517,52 2.864,53 3.308,54 5.284,55 3.144,56 0.04,57 0.559,58 8.617,59 3.527,60 12.376,61 4.806,62 0.073,63 0.836,64 14.718,65 5.141,66 18.653,67 7.613,68 0.322,69 1.017,70 19.029,71 6.378,72 51.745,73 9.518,74 0.424,75 1.051,76 25.384,77 7.716,78 57.623,79 12.005,80 0.155,81 0.874,82 19.409,83 6.705,84 31.755,85 9.846,86 0.17,87 0.831,88 17.085,89 5.362,90 39.756,91 7.364,92 0.512,93 0.783,94 20.436,95 5.261,96 79.647,97 7.208,98 0.337,99 0.658,100 17.132,101 5.677,102 55.362,103 7.988,104 40,105 31,106 0.279,107 0.604,108 0.67,109 0.725,110 0.734,111 0.743,112 3.058,113 0.929,114 -2.25,115 -2.29,116 -2.26,119 38.5,120 4,123 1,127 1,138 2,142 2,144 1,145 2,156 2,172 3,175 6,183 5,187 1,188 3,191 2,192 1,196 3,199 1,203 2,213 4,218 4,225 3,230 7,237 1,241 1,243 3,246 4,253 1,258 6,264 2,276 510,277 12.593,278 12.593,279 12.593,280 12.593,281 12.593,282 11.177,283 14.61,284 7.197,285 12.829,286 10.309,287 10.309,288 10.309,289 10.309,290 10.309,291 8.223,292 22.014,293 3.412,294 10.732,295 3.745,296 1.951,297 1.584,298 1.283,299 1.232,300 1.18,301 3.7,304 1,305 1,306 1,307 321,308 3.674,310 54.143,312 69.613,319 1.26,320 22.687,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 43.5,332 159,333 4.686,334 3.622,335 7.079,336 4.329,337 3.356,338 4.227,339 0.6,340 11.749,341 3.282,342 4.278,343 3.299,344 6.927,345 4.197,346 3.22,347 3.468,348 0.6,349 11.24,350 3.123,351 3.908,352 2.669,353 5.41,354 3.456,355 2.49,356 3.294,358 7.1,359 2.404,360 3.18,361 2.184,362 4.997,363 2.687,364 1.749,365 2.306,367 5.238,368 1.634,369 3.118,370 1.947,371 4.822,372 2.531,373 1.608,374 2.233,376 4.499,377 1.48,378 2.715,379 1.489,380 4.258,381 2.209,382 1.28,383 1.726,385 3.252,386 1.184,387 2.5,388 1.379,389 3.6,390 2.107,391 1.155,392 1.5,394 2.967,395 1.093,396 2.223,397 1,398 3.247,399 1.984,400 1,401 1.203,403 2.136,404 0.983,405 1.535,406 0.831,407 3.018,408 1.088,409 0.2,410 0.252,412 0.488,413 0.176,414 0.908,415 -0.147,416 2.723,417 0.544,418 -0.393,419 -0.466,421 -0.965,422 -0.367,423 0.5,424 -0.579,425 2,426 0.086,427 -0.852,428 -0.922,430 -2.116,431 -0.795,432 0.46,433 -0.868,434 2,436 -1,437 -1,439 -2.347,440 -0.946,442 -1,443 2,445 -1,446 -1,448 -3,449 -1,451 -1,452 1.931,453 -0.049,454 -1,455 -1.49,457 -3,458 -1,460 -1,461 1.607,462 -0.237,463 -1.183,464 -1.5,466 -3.113,467 -1.109,468 9.367,469 0.468,470 0.782,471 0.039,472 23.5,473 1.175,474 11,475 0.55,476 12.5,477 0.625,478 18.017,479 0.901,480 22.433,481 0.575,482 15.317,483 0.766,484 4.385,485 0.219,486 4.918,487 0.246,488 0.285,489 0.053,490 0.32,496 0.966,497 1.379,498 0.89,499 1.15,500 1.053,501 1.036,502 0.731,503 1.252,504 0.689,505 0.981,506 0.617,507 0.841,508 0.617,509 1.362,510 1.101,511 1.327,512 0.541,513 1.29,514 0.677,515 0.665,516 0.845,517 0.741,518 0.659,519 0.797,520 0.728,521 0.861,522 0.62,523 0.816,524 0.725,525 0.717,526 1.798,527 1.455,528 1.268,529 1.385,530 1.771,531 1.268,532 2.487,533 0.836,534 1.589,535 0.956,536 2.606,537 1.118,538 1.398,539 0.774,540 1.198,541 0.91,542 1.612,543 1.035,544 5.5,545 0.037,546 2.889,547 1.813,548 1.253,549 1.007,550 0.569,551 0.306,552 0.173,553 0.09,554 3351,555 8775,556 1.899,557 48.7,558 9,559 3,561 2,562 2,564 3,567 1.621,568 1.702,569 3.015,570 0.361,572 1,574 1,577 60.062,578 1.54,579 3.334,580 3.701,581 4.002,582 4.054,583 4.105,584 2.484,585 3.384,586 4.295,587 3.153,588 599.094,589 7.354,590 6213.83,591 1,592 1,594 1,595 206.131,596 1.788,597 4.189,598 0.262,599 0.012,600 0.1,601 0.067,602 0.057,603 0.039,604 0.023,605 0.018,606 0.014,607 0.011,608 0.603,609 0.67,610 1,611 1.385,612 88.352,613 -0.107,614 -0.146,615 0.005,616 0.003,617 -0.18,618 0.014,619 0.021,620 -0.126,621 0.238,622 0.067,623 0.076,624 0.173,625 0.249,626 -0.233,627 -0.166,628 -0.316,629 0.246,630 -0.312,631 0.105,632 0.254,633 0.133,634 0.182,635 0.052,636 0.169,637 0.073,638 0.071,639 0.339,640 0.191,641 0.095,642 0.297,643 -0.248,644 -0.378,645 -0.258,646 -0.381,647 -0.129,648 -0.328,649 -0.446,650 0.119,651 -0.49,652 -0.072,653 -0.425,654 -0.262,655 -0.165,656 0.078,657 -0.195,658 0.073,659 -0.229,660 -0.059,661 1.873,662 3.745,663 0.5,664 14,665 1.001,666 1.134,667 1.018,668 1.037,669 0.641,670 3.091,671 3.466,672 3.664,673 3.738,674 3.912,675 3.97,676 3.97,677 3.85,678 3.738,679 3.611,680 5.042,681 0.608,682 273.37,683 3.091,684 4.654,685 5.493,686 6.385,687 7.256,688 8.153,689 9.038,690 9.939,691 10.831,692 11.736,693 7.7,702 2,703 1,709 4,710 1,714 1,716 6,735 39,737 9,739 21,741 40,742 15,743 5,746 4,748 2,749 2,754 4,755 1,760 1,762 9,763 6,767 3,775 2,776 4,779 1,780 1,783 19,784 5,785 2,786 5,792 3,797 1,798 2,809 1,814 1,816 1,826 2,834 2,841 2,843 2,847 4,851 20,857 2,863 1,865 1,874 5.1,876 2,881 11.75,882 8.167,883 4.278,884 2.256,886 2.383,887 1.385,888 0.863,889 3.845,890 8.573,891 3.332,892 3.922,893 4.44,894 4.876,895 5.343,896 5.589,897 5.94,898 6.228,899 6.496,900 6.628,901 1,902 27,903 7.378,905 3.096,906 7.896,907 13.839,909 11.07,911 2.396,912 47.917,916 200.109,917 80.618,918 50.357,920 85.367,923 80.618,924 285.475,925 50.357,926 35.301,928 18.952,929 131.208,930 54.423,932 176.567,934 200.109,935 130.975,936 85.367,939 164.795,940 120.68,943 86.967,944 27.223,945 16.786,947 200.109,948 135.723,949 80.618,952 200.109,953 8.27,954 72.348,956 135.723,957 200.109,958 135.723,959 80.618,961 0.604,962 0.339,963 0.144,964 0.08,965 15,966 8,967 0.075,968 3,970 1,971 3.13,972 142.924,974 10,975 77.684,981 14.575,982 5.275,983 3.031,985 135.723,986 6.682,987 3.907,991 0.658,993 85.367,994 416.45,995 27,1003 8.755,1004 0.294,1007 39.029,1008 44.235,1009 0.291,1010 0.631,1011 0.7,1012 0.757,1013 0.767,1014 0.777,1015 4.61,1016 1,1017 5.565,1018 2.967,1019 4.143,1020 4.605,1021 0.892,1022 6.45,1023 4.065,1024 5.87,1025 0.2,1026 7.197,1027 2.136,1028 4.111,1029 4.527,1031 7.73,1032 4.029,1033 7.225,1034 -0.393,1035 8.944,1036 0.488,1037 5.905,1038 6.79,1039 0.418,1040 10.781,1041 5.778,1042 8.619,1043 -0.852,1044 10.758,1045 -0.965,1046 6.648,1047 7.476,1049 12.808,1050 6.514,1051 10.044,1052 -1,1053 12.613,1054 -2.116,1055 8.033,1056 9.279,1057 0.171,1058 15.474,1059 7.865,1060 11.492,1061 -1,1062 14.495,1063 -2.347,1064 9.059,1065 10.324,1067 17.755,1068 8.875,1069 12.957,1070 -1,1071 16.395,1072 -3,1073 10.314,1074 11.926,1075 0.065,1076 20.291,1077 10.102,1078 3.356,1079 -1.183,1080 18.308,1081 -3,1082 11.444,1083 13.155,1085 22.669,1086 11.211,1087 3.22,1088 11.749,1089 20.231,1090 -3.113,1091 12.657,1092 14.663,1093 0.024,1094 25.155,1095 12.398,1096 2.49,1097 11.24,1098 22.161,1099 4.227,1100 13.826,1101 15.989,1103 27.572,1104 13.544,1105 1.749,1106 7.1,1107 24.095,1108 3.468,1109 15.025,1110 17.455,1111 0.009,1112 30.037,1113 14.719,1114 1.608,1115 5.238,1116 26.033,1117 3.294,1118 16.21,1119 18.834,1121 32.471,1122 15.88,1123 1.28,1124 4.499,1125 27.974,1126 2.306,1127 17.406,1128 20.281,1129 0.003,1130 34.927,1131 17.052,1132 1.155,1133 3.252,1134 29.917,1135 2.233,1136 18.598,1137 21.687,1139 37.37,1140 18.22,1141 3499,1142 5812,1143 12.83,1144 25.017,1145 33.144,1146 33.141,1147 33.575,1148 32.034,1149 32.116,1150 40.417,1151 2.4,1152 97.337,1153 30.717,1154 5.546,1155 5.622,1156 6.881,1157 5.365,1158 5.356,1159 7.227,1160 1.2,1161 19.749,1162 5.282,1163 12.987,1164 1.578,1165 1.578,1166 1.599,1167 1.525,1168 1.529,1169 1.925,1170 0.114,1171 4.635,1172 1.463,1173 3.984,1174 4.016,1175 3.954,1176 3.858,1177 6.539,1178 3.878,1179 3.813,1180 3.864,1181 3.738,1182 3.7,1183 6.391,1184 3.7,1185 3.706,1186 3.74,1187 3.605,1188 3.592,1189 4.957,1190 3.594,1191 3.231,1192 3.328,1193 3.004,1194 3.032,1195 4.675,1196 3.008,1197 2.874,1198 3.009,1199 2.814,1200 2.735,1201 4.364,1202 2.715,1203 2.874,1204 3.009,1205 2.687,1206 2.618,1207 4.089,1208 2.637,1209 2.865,1210 2.925,1211 2.507,1212 2.618,1213 3.719,1214 2.57,1215 2.854,1216 2.925,1217 2.499,1218 2.591,1219 3.674,1220 2.57,1221 0.223,1222 0.172,1223 0.337,1224 0.206,1225 0.16,1226 4.686,1227 0.201,1228 3.622,1229 0.029,1230 7.079,1231 0.559,1232 4.329,1233 0.156,1234 3.356,1235 4.227,1236 0.6,1237 11.749,1238 3.282,1239 1.903,1240 1.873,1241 2.046,1242 2.048,1243 1.303,1244 2.038,1245 1.804,1246 1.756,1247 1.943,1248 1.947,1249 0.982,1250 1.958,1251 1.671,1252 1.643,1253 1.762,1254 1.82,1255 0.846,1256 1.808,1257 1.256,1258 1.161,1259 1.614,1260 1.5,1261 0.721,1262 1.546,1263 0.934,1264 0.821,1265 1.417,1266 1.239,1267 0.469,1268 1.308,1269 0.934,1270 0.804,1271 1.417,1272 1.239,1273 0.469,1274 1.308,1275 0.886,1276 0.804,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.73,1282 0.667,1283 0.903,1284 1.047,1286 0.996,1287 3.761,1289 5.165,1291 6.77,1293 8.449,1295 10.166,1297 8.182,1302 19.471,1308 -0.004,1310 -0.028,1314 23.708,1315 60.062,1316 130.025,1317 144.356,1318 156.092,1319 158.092,1320 160.092,1321 43.86,1322 6.19,1323 78.07,1324 78.07,1325 10,1326 12.258,1327 3.322,1328 2.807,1329 36.268,1330 59,1331 56,1332 0.306,1333 150.68,1334 267.18,1335 359.419,1336 3095,1338 14.914,1339 0.746,1340 0.606,1341 14.914,1342 12.123,1343 9.304,1344 0.443,1345 0.31,1346 6.424,1347 8.976,1348 6.077,1349 5.165,1350 9.304,1351 6.503,1352 9.288,1353 0.3,1354 0.19,1355 9.288,1356 5.883,1357 7.164,1358 0.189,1359 0.089,1360 7.164,1361 3.377,1362 4.651,1363 0.113,1364 0.036,1365 4.651,1366 1.487,1367 3.674,1368 0.075,1369 0.02,1370 3.674,1371 0.973,1372 0.467,1373 58.292,1374 0.279,1375 19.794,1376 0.875,1377 104,1378 297.235,1379 113.703,1380 292.022,1381 395.17,1382 270,1383 121,1384 291.455,1385 132.061,1386 298.699,1387 434.27,1388 278,1389 5.1}
{0 CHEMBL1986263,1 1.713,2 10.083,3 3.318,4 11.007,5 97.172,6 8.154,7 0.462,8 3.843,9 3.955,10 3.537,11 3.401,12 4.988,13 3.368,14 4.344,15 4.516,16 3.934,17 3.74,18 5.462,19 3.696,20 4.466,21 4.648,22 3.948,23 3.845,24 5.548,25 3.786,26 4.537,27 4.704,28 3.881,29 3.897,30 5.656,31 3.78,32 4.594,33 4.811,34 3.748,35 3.784,36 5.706,37 3.683,38 4.432,39 4.668,40 3.609,41 3.64,42 5.491,43 3.55,44 4.32,45 4.553,46 3.507,47 3.554,48 5.402,49 3.45,50 4.202,51 4.425,52 3.382,53 3.477,54 5.188,55 3.353,56 0.038,57 0.645,58 8.091,59 3.809,60 5.893,61 4.561,62 0.314,63 1.014,64 17.695,65 6.196,66 21.361,67 7.566,68 0.25,69 1.129,70 19.194,71 6.703,72 19.403,73 8.283,74 0.259,75 1.202,76 24.927,77 9.041,78 26.523,79 10.25,80 0.454,81 1.192,82 27.281,83 7.99,84 55.336,85 9.852,86 0.352,87 1.017,88 19.863,89 6.7,90 30.931,91 9.013,92 0.32,93 0.9,94 17.407,95 5.875,96 35.938,97 7.793,98 0.223,99 0.804,100 17.426,101 5.852,102 23.511,103 7.159,104 21,105 36,106 0.3,107 0.665,108 0.83,109 0.878,110 0.878,111 0.878,112 3.228,113 0.967,114 -3.44,115 -3.42,116 -3.26,119 40.5,120 2,124 1,125 1,138 2,142 5,144 2,145 1,146 1,150 1,159 1,172 2,174 2,175 8,178 2,180 2,183 3,188 2,193 1,196 3,199 1,200 9,203 1,205 2,208 3,212 1,213 4,218 1,224 3,225 4,228 1,230 1,233 3,237 1,241 1,246 3,250 4,255 1,258 4,264 4,272 2,276 756,277 16.326,278 16.326,279 16.326,280 16.326,281 16.326,282 14.474,283 21.932,284 9.519,285 16.999,286 12.694,287 12.694,288 12.694,289 12.694,290 12.694,291 9.845,292 31.6,293 4.336,294 13.662,295 3.68,296 1.599,297 0.664,298 0.387,299 0.387,300 0.387,301 3.908,304 1,305 1,306 1,307 511,308 2.646,311 66.112,312 159.44,319 1.507,320 20.369,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 52,332 242,333 4.514,334 4.831,335 6.77,336 4.129,337 3.208,338 4.022,339 4.341,340 11.002,341 2.944,342 4.119,343 3.541,344 5.972,345 3.714,346 2.771,347 3.692,348 0.937,349 8.431,350 2.619,351 3.95,352 2.96,353 5.662,354 3.534,355 2.588,356 3.433,357 0.86,358 7.845,359 2.432,360 3.556,361 2.811,362 5.312,363 3.179,364 2.251,365 2.794,366 0.4,367 6.763,368 2.077,369 3.302,370 2.699,371 4.919,372 2.858,373 1.918,374 2.54,375 0.397,376 5.507,377 1.792,378 3.063,379 2.264,380 4.76,381 2.623,382 1.679,383 2.189,385 4.766,386 1.561,387 2.722,388 1.846,389 4.345,390 2.317,391 1.397,392 1.796,394 3.818,395 1.268,396 2.657,397 1.507,398 3.509,399 2.185,400 1.203,401 1.724,403 2.642,404 1.176,405 2.501,406 1.307,407 3.48,408 2.05,409 1.121,410 1.474,412 2.536,413 1.035,414 1.677,415 1.259,416 3.092,417 1.489,418 0.562,419 0.601,421 1.032,422 0.511,423 1.584,424 1.151,425 2.897,426 1.295,427 0.431,428 0.482,430 0.627,431 0.369,432 1.291,433 0.936,434 2.671,435 0.94,441 0.936,442 0.152,443 2.541,444 0.666,445 -0.333,446 -0.357,448 -0.566,449 -0.323,450 0.796,451 0.143,452 2.215,453 0.371,454 -0.578,455 -0.762,457 -1.375,458 -0.543,459 0.681,460 -0.357,461 2,462 0.244,463 -0.699,464 -0.91,466 -1.634,467 -0.651,468 11.6,469 0.483,470 0.554,471 0.023,472 32,473 1.333,474 16,475 0.667,476 16,477 0.667,478 18.969,479 0.79,480 25.6,481 0.61,482 21.948,483 0.915,484 6.303,485 0.263,486 5.314,487 0.221,488 0.158,490 0.336,496 0.818,497 1.382,498 0.724,499 1.014,500 0.629,501 0.939,502 0.876,503 0.977,504 0.726,505 0.849,506 0.622,507 0.76,508 1.143,509 1.022,510 0.852,511 0.828,512 0.873,513 0.826,514 0.95,515 1.385,516 1.492,517 1.511,518 1.055,519 1.302,520 1.33,521 1.114,522 1.248,523 1.094,524 1.647,525 1.027,526 0.72,527 0.921,528 0.798,529 0.846,530 0.797,531 0.92,532 0.893,533 0.837,534 0.844,535 0.774,536 0.881,537 0.916,538 1.087,539 0.898,540 1.158,541 0.988,542 0.903,543 0.984,544 5,545 0.127,546 2.444,547 2.389,548 1.179,549 0.611,550 0.476,551 0.268,552 0.243,553 0.155,554 6155,555 17855,556 2.04,557 42.9,559 10,561 1,562 1,564 6,567 1.669,568 1.895,569 3.322,570 -0.26,571 1,572 1,577 71.932,578 1.713,579 3.793,580 4.729,581 5.005,582 5.005,583 5.005,584 2.736,585 3.97,586 4.558,587 3.447,588 951.346,589 7.863,590 11181.5,591 1,592 1,594 1,595 226.477,596 1.459,597 4.507,598 0.192,599 0.009,600 0.068,601 0.065,602 0.036,603 0.021,604 0.018,605 0.012,606 0.012,607 0.009,608 0.441,609 0.33,610 1,611 0.921,612 114.147,613 -0.049,614 -0.245,615 0.07,616 -0.053,617 -0.064,618 -0.022,619 0.147,620 0.108,621 0.232,622 0.13,623 0.095,624 0.168,625 -0.167,626 0.06,627 0.069,628 0.12,629 -0.063,630 0.097,631 -0.037,632 -0.31,633 -0.29,634 -0.338,635 -0.03,636 -0.315,637 -0.178,638 -0.108,639 -0.168,640 -0.087,641 -0.189,642 -0.075,643 0.152,644 0.067,645 0.051,646 0.02,647 0.057,648 0.032,649 0.02,650 0.16,651 0.021,652 0.102,653 0.043,654 0.03,655 -0.18,656 0.11,657 -0.107,658 0.035,659 -0.114,661 1.633,662 5.02,663 0.708,664 19.292,665 1.008,666 1.125,667 2.206,668 4.865,669 0.688,670 3.296,671 3.611,672 3.892,673 4.143,674 4.277,675 4.29,676 4.369,677 4.443,678 4.5,679 4.554,680 5.942,681 0.652,682 342.46,683 3.296,684 4.828,685 5.68,686 6.558,687 7.425,688 8.309,689 9.181,690 10.068,691 10.944,692 11.832,693 9.5,700 1,701 1,703 2,709 6,710 2,714 4,716 12,728 1,733 1,735 42,737 14,738 1,739 26,741 44,742 17,743 10,744 2,745 4,746 2,748 3,749 3,754 2,762 13,763 4,767 2,772 1,776 3,779 1,780 1,783 18,784 6,785 1,786 7,787 1,792 4,797 1,798 2,810 1,815 1,816 2,834 2,840 1,843 3,845 1,847 3,851 24,858 1,860 1,861 1,862 1,864 1,874 4.8,877 1,879 1,881 12.667,882 8.6,883 5.444,884 2.5,886 2.644,887 1.378,888 0.971,889 5.071,890 9.645,891 3.555,892 4.127,893 4.659,894 5.205,895 5.667,896 5.812,897 6.159,898 6.516,899 6.818,900 7.126,901 0.857,902 37,903 8.825,905 3.64,906 7.75,907 16.748,909 13.195,911 2.25,912 54,915 1,916 200.109,917 139.321,918 54.706,920 36.145,922 32.22,923 107.101,924 236.254,925 54.706,926 28.533,927 5.23,928 47.381,929 74.795,930 48.815,931 4.969,932 220.557,934 200.109,935 161.807,936 36.145,937 32.22,939 129.482,940 106.771,943 54.594,944 69.334,945 37.879,946 32.22,947 200.109,948 90.851,949 139.321,952 200.109,953 54.359,954 88.086,955 18.011,956 69.716,957 200.109,958 90.851,959 139.321,961 0.575,962 0.352,963 0.194,964 0.096,965 17,966 8,967 0.114,968 5,970 1,971 3.575,972 191.885,974 17,975 110.039,977 1,981 16.806,982 7.241,983 3.576,985 90.851,986 11.043,987 8.79,991 2.805,993 18.011,994 430.28,995 34,1000 12.02,1004 1.836,1007 42.323,1008 47.238,1009 0.318,1010 0.703,1011 0.877,1012 0.928,1013 0.928,1014 0.928,1015 4.787,1016 1.203,1017 5.666,1018 3.818,1019 4.29,1020 4.812,1021 3.693,1022 6.482,1023 4.149,1024 5.99,1025 1.121,1026 7.231,1027 2.642,1028 3.892,1029 4.575,1030 2.911,1031 7.387,1032 3.676,1033 7.298,1034 0.562,1035 8.893,1036 2.536,1037 5.889,1038 6.952,1039 6.421,1040 10.488,1041 5.604,1042 8.641,1043 0.431,1044 10.613,1045 1.032,1046 6.312,1047 7.481,1048 6.253,1049 12.228,1050 5.931,1051 10.014,1053 12.37,1054 0.627,1055 7.779,1056 9.352,1057 9.285,1058 14.855,1059 7.342,1060 11.407,1061 -0.333,1062 14.154,1064 8.585,1065 10.249,1066 9.449,1067 16.958,1068 8.044,1069 12.818,1070 -0.578,1071 15.958,1072 -0.566,1073 9.843,1074 11.889,1075 12.162,1076 19.427,1077 9.243,1078 3.208,1079 -0.699,1080 17.778,1081 -1.375,1082 10.83,1083 12.985,1084 12.563,1085 21.692,1086 10.125,1087 2.771,1088 11.002,1089 19.612,1090 -1.634,1091 12.009,1092 14.504,1093 15.045,1094 24.108,1095 11.236,1096 2.588,1097 8.431,1098 21.457,1099 4.022,1100 13.081,1101 15.713,1102 15.629,1103 26.445,1104 12.207,1105 2.251,1106 7.845,1107 23.312,1108 3.692,1109 14.234,1110 17.167,1111 17.934,1112 28.845,1113 13.284,1114 1.918,1115 6.763,1116 25.174,1117 3.433,1118 15.347,1119 18.442,1120 18.663,1121 31.214,1122 14.299,1123 1.679,1124 5.507,1125 27.044,1126 2.794,1127 16.494,1128 19.86,1129 20.828,1130 33.61,1131 15.364,1132 1.397,1133 4.766,1134 28.92,1135 2.54,1136 17.627,1137 21.175,1138 21.676,1139 35.994,1140 16.403,1141 6074,1142 10494,1143 17.107,1144 28.909,1145 38.518,1146 42.505,1147 40.512,1148 38.194,1149 38.26,1150 49.495,1151 13.871,1152 109.936,1153 35.567,1154 5.413,1155 6.831,1156 6.363,1157 5.251,1158 5.208,1159 7.022,1160 8.339,1161 18.326,1162 4.944,1163 12.522,1164 1.481,1165 1.635,1166 1.558,1167 1.469,1168 1.472,1169 1.904,1170 0.533,1171 4.228,1172 1.368,1173 3.976,1174 4.013,1175 4.109,1176 3.874,1177 7.427,1178 3.872,1179 3.869,1180 3.895,1181 3.867,1182 3.797,1183 5.022,1184 3.785,1185 3.682,1186 3.737,1187 3.679,1188 3.507,1189 4.845,1190 3.518,1191 3.34,1192 3.421,1193 3.22,1194 3.188,1195 4.416,1196 3.156,1197 3.259,1198 3.324,1199 3.111,1200 2.985,1201 4.364,1202 3.001,1203 3.068,1204 3.127,1205 3.034,1206 2.895,1207 3.992,1208 2.861,1209 3.045,1210 3.105,1211 2.904,1212 2.857,1213 3.957,1214 2.85,1215 2.766,1216 2.84,1217 2.65,1218 2.624,1219 3.809,1220 2.603,1221 0.174,1222 0.186,1223 0.26,1224 0.159,1225 0.123,1226 4.514,1227 0.155,1228 4.831,1229 0.167,1230 6.77,1231 0.423,1232 4.129,1233 0.113,1234 3.208,1235 4.022,1236 4.341,1237 11.002,1238 2.944,1239 1.893,1240 1.865,1241 1.994,1242 2.026,1243 1.075,1244 2.014,1245 1.783,1246 1.75,1247 1.892,1248 1.916,1249 1.058,1250 1.912,1251 1.584,1252 1.516,1253 1.806,1254 1.81,1255 0.917,1256 1.813,1257 1.368,1258 1.311,1259 1.652,1260 1.56,1261 0.694,1262 1.6,1263 1.201,1264 1.13,1265 1.571,1266 1.513,1267 0.574,1268 1.532,1269 1.051,1270 1.043,1271 1.229,1272 1.274,1273 0.275,1274 1.265,1275 0.996,1276 0.934,1277 1.113,1278 1.237,1279 0.214,1280 1.23,1281 0.792,1282 0.722,1283 1.07,1284 0.985,1285 0.167,1286 1.021,1287 3.97,1289 5.283,1290 2.398,1291 6.795,1292 4.844,1293 8.39,1294 7.002,1295 10.028,1297 5.522,1303 0.654,1305 3.161,1306 5.213,1307 1.209,1309 1.747,1314 27.39,1315 71.932,1316 159.304,1317 198.603,1318 210.213,1319 210.213,1320 210.213,1321 35.343,1322 7,1323 69.04,1324 97.28,1325 17,1326 12.365,1327 3.907,1328 3.17,1329 39.303,1330 87,1331 84,1332 0.227,1333 174.541,1334 302.75,1335 417.641,1336 9620,1338 17.104,1339 0.713,1340 0.606,1341 17.458,1342 14.554,1343 11.618,1344 0.447,1345 0.322,1346 7.51,1347 10.666,1348 7.172,1349 6.019,1350 12.026,1351 8.384,1352 10.143,1353 0.282,1354 0.17,1355 10.819,1356 6.111,1357 8.761,1358 0.183,1359 0.1,1360 9.587,1361 4.777,1362 7.444,1363 0.12,1364 0.056,1365 8.335,1366 3.482,1367 5.394,1368 0.076,1369 0.029,1370 6.168,1371 2.033,1372 0.355,1373 77.29,1374 0.242,1375 23.367,1376 0.627,1377 124,1378 391.6,1379 165.124,1380 396.104,1381 545.14,1382 372,1383 146,1384 389.981,1385 183.251,1386 410.297,1387 601.44,1388 384,1389 5.9}
{0 CHEMBL1986328,1 1.643,2 9.5,3 3.301,4 10.894,5 93.313,6 8.295,7 0.724,8 3.877,9 3.977,10 3.542,11 3.396,12 5.085,13 3.419,14 4.361,15 4.508,16 3.902,17 3.748,18 5.561,19 3.767,20 4.495,21 4.656,22 3.89,23 3.797,24 5.707,25 3.79,26 4.556,27 4.751,28 3.905,29 3.783,30 5.777,31 3.79,32 4.481,33 4.641,34 3.935,35 3.831,36 5.686,37 3.836,38 4.512,39 4.65,40 3.868,41 3.864,42 5.712,43 3.839,44 4.572,45 4.78,46 3.635,47 3.797,48 5.616,49 3.702,50 4.369,51 4.622,52 3.278,53 3.468,54 5.334,55 3.355,56 0.08,57 0.632,58 6.855,59 3.45,60 6.147,61 3.916,62 0.336,63 0.988,64 13.699,65 5.357,66 18.886,67 6.327,68 0.405,69 1.106,70 16.322,71 6.211,72 31.396,73 7.422,74 0.539,75 1.145,76 19.699,77 6.259,78 55.355,79 7.639,80 0.407,81 1.08,82 16.248,83 6.238,84 33.097,85 7.381,86 0.353,87 1.074,88 15.727,89 7.004,90 30.567,91 7.874,92 0.442,93 1.083,94 20.389,95 8.246,96 35.766,97 10.621,98 0.335,99 0.896,100 17.942,101 6.214,102 28.824,103 8.641,104 13,105 41,106 0.282,107 0.609,108 0.701,109 0.773,110 0.781,111 0.789,112 3.305,113 0.827,114 -2.18,115 -2.23,116 -2.2,119 45.2,124 2,142 7,144 1,146 4,151 2,152 2,159 1,172 3,174 1,175 6,178 2,180 2,183 1,187 3,188 5,193 1,196 1,199 2,200 9,203 1,212 1,213 8,216 1,221 3,224 2,225 5,233 7,237 2,238 1,241 1,243 1,246 5,253 1,255 2,258 1,263 2,264 2,269 1,276 912,277 17.654,278 17.654,279 17.654,280 17.654,281 17.654,282 15.168,283 9.184,284 10.407,285 17.903,286 14.338,287 14.338,288 14.338,289 14.338,290 14.338,291 10.533,292 12.321,293 4.971,294 14.729,295 3.749,296 1.85,297 1.313,298 0.893,299 0.845,300 0.798,301 4,304 1,305 1,306 1,307 537,308 3.24,311 125.216,312 131.341,316 111.866,319 1.615,320 25.162,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 57,332 247,333 4.602,334 3.658,335 6.737,336 4.169,337 3.198,338 4.497,339 1.701,340 11.044,341 3.106,342 4.216,343 3.197,344 6.123,345 3.797,346 2.822,347 3.886,348 0.563,349 9.018,350 2.751,351 3.942,352 2.79,353 5.796,354 3.589,355 2.629,356 3.518,357 0.075,358 7.869,359 2.526,360 3.9,361 2.542,362 5.78,363 3.536,364 2.542,365 3.189,367 7.761,368 2.508,369 3.511,370 2.292,371 5.17,372 3.101,373 2.139,374 2.856,376 6.233,377 2.055,378 3.296,379 1.97,380 4.706,381 2.813,382 1.827,383 2.64,385 4.876,386 1.799,387 3.146,388 1.834,389 4.528,390 2.614,391 1.659,392 2.456,394 4.631,395 1.583,396 2.667,397 1.66,398 3.809,399 2.228,400 1.234,401 1.735,403 2.897,404 1.226,405 2.334,406 1.233,407 3.535,408 2.031,409 1.062,410 1.249,412 2.428,413 1.016,414 2.29,415 0.829,416 3.268,417 1.799,418 0.809,419 1.183,421 1.951,422 0.8,423 2.159,424 0.731,425 3.249,426 1.631,427 0.666,428 0.985,430 1.684,431 0.641,432 2.118,433 0.618,434 3,435 1.618,436 0.618,437 0.927,439 1.372,440 0.618,441 2.118,442 0.618,443 3,444 1.618,445 0.618,446 0.927,448 1.372,449 0.618,450 1.375,451 0.462,452 2.715,453 0.936,454 -0.045,455 -0.06,457 -0.118,458 -0.044,459 1.018,460 -0.236,461 2.625,462 0.534,463 -0.436,464 -0.609,466 -1.274,467 -0.42,468 12.1,469 0.465,470 0.644,471 0.025,472 38,473 1.462,474 20,475 0.769,476 18,477 0.692,478 16.886,479 0.649,480 26.9,481 0.64,482 28.624,483 1.101,484 7.849,485 0.302,486 4.765,487 0.183,488 0.11,490 0.364,496 0.844,497 1.386,498 0.674,499 1.102,500 0.641,501 0.894,502 0.962,503 1.014,504 0.748,505 0.835,506 0.643,507 0.752,508 1.05,509 1.209,510 0.986,511 1.048,512 1.008,513 1.012,514 1.235,515 0.867,516 0.905,517 0.694,518 1.652,519 0.704,520 1.009,521 0.921,522 0.842,523 0.849,524 1.013,525 0.799,526 1.149,527 1.055,528 1.138,529 1.202,530 0.909,531 1.181,532 0.784,533 0.99,534 1.06,535 1.132,536 0.622,537 1.174,538 0.716,539 1.077,540 1.056,541 1.113,542 0.732,543 1.144,544 5,545 0.145,546 2.889,547 1.118,548 1.618,549 0.847,550 0.604,551 0.339,552 0.215,553 0.191,554 7625,555 22345,556 2.124,557 38.1,559 13,560 2,562 1,567 1.695,568 2,569 3.219,570 -0.294,571 1,572 1,574 1,577 69.012,578 1.643,579 3.543,580 4.079,581 4.499,582 4.547,583 4.594,584 2.69,585 3.796,586 4.668,587 3.403,588 1105.84,589 8.115,590 13510.7,591 1,592 1,594 1,595 226.477,596 1.37,597 4.637,598 0.172,599 0.009,600 0.07,601 0.029,602 0.04,603 0.02,604 0.016,605 0.012,606 0.011,607 0.012,608 0.392,609 0.5,610 1,611 1.083,612 125.579,613 -0.07,614 -0.276,615 0.062,616 -0.136,617 -0.082,618 -0.032,619 0.008,620 0.078,621 0.112,622 0.102,623 0.059,624 0.126,625 -0.05,626 -0.151,627 -0.087,628 -0.112,629 -0.031,630 -0.116,631 -0.112,632 0.184,633 0.083,634 0.224,635 -0.172,636 0.208,637 -0.021,638 0.133,639 0.053,640 0.103,641 -0.036,642 0.109,643 -0.124,644 -0.051,645 -0.273,646 -0.216,647 -0.09,648 -0.266,649 0.059,650 -0.088,651 -0.071,652 -0.104,653 0.045,654 -0.127,655 0.033,656 -0.146,657 -0.002,658 -0.127,659 -0.003,660 -0.082,661 1.879,662 4.863,663 0.769,664 23.846,665 1.016,666 1.122,667 0.955,668 0.912,669 0.689,670 3.401,671 3.738,672 4.025,673 4.304,674 4.533,675 4.727,676 4.927,677 5.094,678 5.193,679 5.176,680 5.861,681 0.676,682 348.39,683 3.401,684 4.949,685 5.808,686 6.693,687 7.576,688 8.469,689 9.362,690 10.261,691 11.159,692 12.061,693 9.5,700 2,703 2,708 2,709 9,710 2,712 2,714 5,716 21,735 42,737 22,738 1,739 29,741 45,742 19,743 16,744 3,745 3,748 4,749 5,753 1,762 17,763 2,767 1,772 1,776 1,779 1,780 1,782 2,783 16,784 7,785 1,786 7,792 4,797 0.75,798 3,806 1,815 2,816 2,820 1,843 3,847 2,851 26,860 1,864 1,874 7.1,877 1,879 2,881 13,882 8.35,883 5.639,884 2.317,886 3.691,887 1.497,888 1.012,889 4.288,890 11.115,891 3.726,892 4.369,893 5.007,894 5.654,895 6.201,896 6.731,897 7.282,898 7.797,899 8.239,900 8.487,901 1,902 39,903 9.547,905 4.059,906 7.801,907 17.916,909 14.379,911 2.301,912 59.833,915 1,916 176.567,917 134.337,918 54.706,920 44.16,923 134.337,924 220.726,925 54.706,926 16.793,927 21.135,928 89.813,929 58.716,930 31.573,931 38.716,932 153.024,934 176.567,935 189.044,936 44.16,939 176.567,940 44.16,943 30.937,944 124.536,945 33.571,947 176.567,948 98.866,949 134.337,952 176.567,953 27.732,954 109.73,955 18.011,956 77.731,957 176.567,958 98.866,959 134.337,961 0.585,962 0.341,963 0.178,964 0.094,965 21,966 9,967 0.067,968 3,969 1,970 1.1,971 3.766,972 227.474,973 0.1,974 20,975 120.211,981 16.517,982 6.75,983 3.28,984 1.331,985 98.866,986 15.792,987 9.395,989 11.016,991 3.016,993 18.011,994 409.77,995 40.5,1000 11.863,1004 -0.212,1007 42.691,1008 47.113,1009 0.305,1010 0.657,1011 0.756,1012 0.834,1013 0.843,1014 0.852,1015 4.951,1016 1.234,1017 5.796,1018 4.631,1019 4.419,1020 5.056,1021 1.863,1022 6.616,1023 4.365,1024 6.174,1025 1.062,1026 7.359,1027 2.897,1028 4.007,1029 4.844,1030 1.305,1031 7.519,1032 3.916,1033 7.486,1034 0.809,1035 9.023,1036 2.428,1037 6.019,1038 7.308,1039 2.511,1040 10.635,1041 5.908,1042 8.838,1043 0.666,1044 10.746,1045 1.951,1046 6.447,1047 7.97,1048 2.473,1049 12.373,1050 6.302,1051 10.221,1052 0.618,1053 12.506,1054 1.684,1055 7.903,1056 9.845,1057 3.388,1058 15.001,1059 7.735,1060 11.627,1061 0.618,1062 14.292,1063 1.372,1064 8.703,1065 10.92,1066 3.608,1067 17.092,1068 8.503,1069 13.05,1070 -0.045,1071 16.096,1072 1.372,1073 9.95,1074 12.56,1075 4.358,1076 19.557,1077 9.725,1078 3.198,1079 -0.436,1080 17.914,1081 -0.118,1082 10.924,1083 13.844,1084 4.717,1085 21.811,1086 10.668,1087 2.822,1088 11.044,1089 19.743,1090 -1.274,1091 12.093,1092 15.387,1093 5.372,1094 24.221,1095 11.81,1096 2.629,1097 9.018,1098 21.581,1099 4.497,1100 13.151,1101 16.775,1102 5.808,1103 26.55,1104 12.837,1105 2.542,1106 7.869,1107 23.426,1108 3.886,1109 14.293,1110 18.282,1111 6.409,1112 28.945,1113 13.951,1114 2.139,1115 7.761,1116 25.279,1117 3.518,1118 15.393,1119 19.721,1120 6.887,1121 31.309,1122 15.021,1123 1.827,1124 6.233,1125 27.137,1126 3.189,1127 16.529,1128 21.216,1129 7.458,1130 33.702,1131 16.129,1132 1.659,1133 4.876,1134 29,1135 2.856,1136 17.651,1137 22.682,1138 7.96,1139 36.083,1140 17.221,1141 7312,1142 12657,1143 19.592,1144 28.955,1145 44.288,1146 44.624,1147 43.887,1148 43.719,1149 43.648,1150 60.097,1151 4.68,1152 126.272,1153 42.494,1154 5.424,1155 5.658,1156 6.334,1157 5.241,1158 5.198,1159 7.497,1160 2.972,1161 18.222,1162 5.106,1163 11.588,1164 1.527,1165 1.539,1166 1.513,1167 1.508,1168 1.505,1169 2.072,1170 0.161,1171 4.354,1172 1.465,1173 4.109,1174 4.134,1175 4.086,1176 3.994,1177 7.43,1178 4.012,1179 3.859,1180 3.875,1181 3.81,1182 3.735,1183 5.192,1184 3.749,1185 3.824,1186 3.83,1187 3.77,1188 3.663,1189 5.046,1190 3.685,1191 3.645,1192 3.713,1193 3.566,1194 3.37,1195 4.912,1196 3.408,1197 3.328,1198 3.388,1199 3.249,1200 3.173,1201 4.367,1202 3.184,1203 3.051,1204 3.113,1205 2.924,1206 2.847,1207 4.195,1208 2.856,1209 2.899,1210 3.009,1211 2.805,1212 2.718,1213 4.082,1214 2.729,1215 2.874,1216 2.952,1217 2.557,1218 2.618,1219 3.65,1220 2.57,1221 0.159,1222 0.126,1223 0.232,1224 0.144,1225 0.11,1226 4.602,1227 0.155,1228 3.658,1229 0.059,1230 6.737,1231 0.381,1232 4.169,1233 0.107,1234 3.198,1235 4.497,1236 1.701,1237 11.044,1238 3.106,1239 2.005,1240 1.978,1241 2.058,1242 2.123,1243 1.156,1244 2.104,1245 1.628,1246 1.603,1247 1.795,1248 1.857,1249 0.851,1250 1.835,1251 1.517,1252 1.445,1253 1.707,1254 1.705,1255 0.816,1256 1.7,1257 1.464,1258 1.426,1259 1.644,1260 1.587,1261 0.689,1262 1.604,1263 1.388,1264 1.358,1265 1.542,1266 1.586,1267 0.535,1268 1.581,1269 1.194,1270 1.199,1271 1.417,1272 1.49,1273 0.469,1274 1.428,1275 1.065,1276 1.015,1277 1.31,1278 1.362,1279 0.261,1280 1.329,1281 0.934,1282 0.879,1283 1.231,1284 1.239,1285 0.22,1286 1.308,1287 4.078,1289 5.407,1290 3.045,1291 6.921,1292 5.13,1293 8.527,1294 6.986,1295 10.189,1297 3.363,1305 2.807,1309 1.462,1314 28.391,1315 69.012,1316 148.787,1317 171.316,1318 188.968,1319 190.968,1320 192.968,1321 36.027,1322 7.424,1323 84.4,1324 84.4,1325 22,1326 12.583,1327 4.524,1328 3.644,1329 37.858,1330 93,1331 90,1332 0.208,1333 173.343,1334 288.19,1335 414.718,1336 14869,1338 18.096,1339 0.696,1340 0.549,1341 18.096,1342 14.263,1343 12.614,1344 0.435,1345 0.276,1346 7.837,1347 11.988,1348 7.625,1349 6.366,1350 12.614,1351 7.995,1352 11.544,1353 0.282,1354 0.144,1355 11.544,1356 5.903,1357 9.802,1358 0.178,1359 0.07,1360 9.802,1361 3.831,1362 7.939,1363 0.109,1364 0.035,1365 7.939,1366 2.538,1367 6.136,1368 0.067,1369 0.018,1370 6.136,1371 1.63,1372 0.319,1373 80.048,1374 0.226,1375 24.755,1376 0.594,1377 140,1378 458.475,1379 157.376,1380 436.896,1381 604.15,1382 410,1383 166,1384 457.364,1385 184.461,1386 459.973,1387 673.72,1388 431,1389 5.1}
{0 CHEMBL1986499,1 1.543,2 9.345,3 4.717,4 22.25,5 112.832,6 8.358,7 0.818,8 3.969,9 4.092,10 3.641,11 3.563,12 5.189,13 3.561,14 4.433,15 4.576,16 4.007,17 3.955,18 5.614,19 3.94,20 4.656,21 4.843,22 4.023,23 4.035,24 5.81,25 3.995,26 4.723,27 4.945,28 3.972,29 3.998,30 5.794,31 3.952,32 4.656,33 4.871,34 3.988,35 3.989,36 5.725,37 3.955,38 4.664,39 4.862,40 4.021,41 4.044,42 5.794,43 3.997,44 4.705,45 4.912,46 4.025,47 4.055,48 5.898,49 3.994,50 4.673,51 4.886,52 3.836,53 3.998,54 5.779,55 3.912,56 0.122,57 0.811,58 7.388,59 3.667,60 11.305,61 4.331,62 0.133,63 1.266,64 12.676,65 6.128,66 13.689,67 7.442,68 0.237,69 1.522,70 18.709,71 7.891,72 34.882,73 9.753,74 0.331,75 1.553,76 22.234,77 7.844,78 39.929,79 10.024,80 0.283,81 1.442,82 20.135,83 7.077,84 29.505,85 9.201,86 0.344,87 1.505,88 19.272,89 7.663,90 31.782,91 9.851,92 0.439,93 1.599,94 21.109,95 8.849,96 45.794,97 11.556,98 0.243,99 1.48,100 20.93,101 9.011,102 35.576,103 11.426,104 5,105 47,106 0.258,107 0.578,108 0.703,109 0.83,110 0.85,111 0.85,112 3.409,113 0.833,114 -5.61,115 -5.48,116 -5.11,119 47.8,125 1,142 12,143 4,144 1,146 2,152 1,153 1,163 1,164 1,165 1,166 2,168 1,172 14,174 1,175 5,179 1,180 2,182 1,183 14,185 1,188 13,190 1,191 1,193 3,196 8,198 1,200 18,205 4,208 5,210 2,213 13,218 1,221 13,223 1,224 1,225 3,227 1,228 2,233 20,237 2,238 2,240 2,241 4,243 2,246 21,248 1,250 2,255 4,258 15,260 2,264 3,269 6,272 8,274 3,276 1485,277 20.016,278 20.016,279 20.016,280 20.016,281 20.016,282 16.811,283 13.171,284 11.758,285 20.264,286 16.313,287 16.313,288 16.313,289 16.313,290 16.313,291 11.606,292 16.72,293 5.621,294 16.746,295 3.981,296 2.061,297 1.316,298 0.555,299 0.435,300 0.435,301 4.121,305 1,306 1,307 605,308 2.449,311 142.99,312 247.151,315 114.66,319 1.529,320 23.788,323 0.75,324 1,325 1,326 0.6,328 1,329 1,330 0.76,331 62.5,332 271,333 4.633,334 3.296,335 6.914,336 4.231,337 3.257,338 4.529,339 0.522,340 11.648,341 3.172,342 4.483,343 3.076,344 6.495,345 4.011,346 3.037,347 4.264,349 10.117,350 2.956,351 3.939,352 2.891,353 5.848,354 3.544,355 2.555,356 3.524,358 8.039,359 2.527,360 3.911,361 2.736,362 5.481,363 3.499,364 2.526,365 3.449,367 7.278,368 2.458,369 3.649,370 2.387,371 5.159,372 3.22,373 2.256,374 3.085,376 6.31,377 2.164,378 3.313,379 2.075,380 4.952,381 2.89,382 1.928,383 2.641,385 5.495,386 1.839,387 3.292,388 1.939,389 4.886,390 2.824,391 1.869,392 2.592,394 5.411,395 1.783,396 2.937,397 1.565,398 4.444,399 2.479,400 1.493,401 2.121,403 4.059,404 1.472,405 2.78,406 1.35,407 4.031,408 2.292,409 1.317,410 1.906,412 3.181,413 1.281,414 2.604,415 1.173,416 3.758,417 2.111,418 1.139,419 1.651,421 2.953,422 1.105,423 2.5,424 1,425 3.583,426 2,427 1,428 1.5,430 2.339,431 1,432 2.5,433 1,434 3.414,435 2,436 1,437 1.5,439 2.275,440 1,441 2.364,442 0.965,443 3.247,444 1.871,445 0.896,446 1.302,448 2.136,449 0.87,450 2.111,451 0.709,452 3.228,453 1.641,454 0.662,455 0.943,457 1.571,458 0.646,459 1.332,460 0.361,461 2.922,462 1.027,463 0.062,464 0.076,466 0.16,467 0.059,468 13.686,469 0.472,470 0.657,471 0.023,472 42.75,473 1.474,474 24.5,475 0.845,476 18.25,477 0.629,478 19.918,479 0.687,480 28.914,481 0.629,482 32.586,483 1.124,484 8.755,485 0.302,486 5.432,487 0.187,488 0.05,490 0.358,494 1,496 0.599,497 0.802,498 0.675,499 0.793,500 0.643,501 0.757,502 0.68,503 1.056,504 0.764,505 1.014,506 0.582,507 0.93,508 0.972,509 1.143,510 0.988,511 1.109,512 0.921,513 1.066,514 1.063,515 1.04,516 1.045,517 0.969,518 0.829,519 0.982,520 0.863,521 0.899,522 0.912,523 0.831,524 0.511,525 0.847,526 0.683,527 0.82,528 0.937,529 0.942,530 0.62,531 0.972,532 0.564,533 0.769,534 0.877,535 0.992,536 0.713,537 1.007,538 0.96,539 1.06,540 1.095,541 1.173,542 1.02,543 1.173,544 5,545 0.177,546 3.333,547 1.917,548 1.522,549 0.889,550 0.709,551 0.523,552 0.294,553 0.245,554 10645,555 30159,556 2.193,557 37,559 14,562 3,567 1.727,568 2.096,569 3.228,570 0.891,577 70.98,578 1.543,579 3.463,580 4.208,581 4.969,582 5.089,583 5.089,584 2.705,585 4.487,586 4.827,587 3.416,588 1386.99,589 8.452,590 18409,592 1,595 254.084,596 1.247,597 4.809,598 0.152,599 0.009,600 0.071,601 0.042,602 0.035,603 0.02,604 0.015,605 0.012,606 0.008,607 0.008,608 0.372,609 0.17,610 0.75,611 0.434,612 144.717,613 0.08,614 0.192,615 0.04,616 0.112,617 -0.07,618 0.074,619 0.023,620 -0.087,621 0.008,622 -0.08,623 0.017,624 -0.051,625 -0.079,626 -0.157,627 -0.093,628 -0.147,629 -0.043,630 -0.13,631 -0.167,632 -0.108,633 -0.079,634 -0.036,635 -0.088,636 -0.034,637 -0.138,638 -0.028,639 0.013,640 0.084,641 -0.016,642 0.088,643 0.063,644 0.09,645 -0.044,646 -0.003,647 -0.003,648 -0.036,649 0.297,650 0.179,651 0.067,652 -0.002,653 0.143,654 -0.02,655 -0.073,656 -0.107,657 -0.129,658 -0.143,659 -0.048,660 -0.147,661 1.954,662 5.52,663 0.897,664 26.904,665 1.009,666 1.127,667 4.378,668 19.164,669 0.707,670 3.526,671 3.871,672 4.19,673 4.5,674 4.736,675 4.852,676 5.069,677 5.268,678 5.371,679 5.46,680 6.06,681 0.689,682 384.45,683 3.526,684 5.081,685 5.953,686 6.847,687 7.738,688 8.639,689 9.539,690 10.445,691 11.351,692 12.26,693 13,697 1,701 2,703 3,708 2,709 12,710 3,711 1,714 7,715 1,716 27,727 1,734 1,735 46,737 27,738 3,739 33,741 50,742 22,743 21,744 6,745 12,748 5,749 6,762 21,763 1,781 1,783 17,784 5,785 3,786 7,792 6,797 0.8,807 1,815 2,816 3,819 1,843 4,849 1,851 29,852 1,858 1,871 1,873 1,881 13.833,882 8.276,883 6.25,884 2.61,886 4.149,887 1.525,888 1.073,889 4.34,890 12.052,891 3.861,892 4.538,893 5.198,894 5.849,895 6.385,896 6.755,897 7.287,898 7.811,899 8.197,900 8.604,901 1,902 46,903 10.658,905 4.646,906 7.776,907 20.198,909 16.887,911 2.276,912 66,915 1,916 164.795,917 147.057,918 101.203,921 14.96,923 147.057,924 164.795,925 116.163,927 2.106,928 146.612,929 49.867,930 46.919,931 17.717,932 164.795,934 164.795,935 248.26,936 14.96,939 179.756,943 27.774,944 170.62,945 49.867,947 179.756,948 101.203,949 147.057,952 164.795,953 33.342,954 115.492,955 16.663,956 97.724,957 164.795,958 116.163,959 147.057,961 0.585,962 0.346,963 0.192,964 0.106,965 25,966 10,967 0.08,968 4,969 1,970 1.077,971 4.059,972 273.288,973 0.077,974 26,975 132.881,981 17.595,982 7.154,983 3.281,984 1.608,985 97.724,986 22.15,987 13.016,988 2.791,991 4.533,992 1.834,993 49.56,994 428.016,995 46.5,1007 46.425,1008 51.821,1009 0.279,1010 0.627,1011 0.762,1012 0.9,1013 0.921,1014 0.921,1015 5.086,1016 1.493,1017 5.938,1018 5.411,1019 4.554,1020 5.226,1021 0.434,1022 6.772,1023 4.502,1024 6.317,1025 1.317,1026 7.505,1027 4.059,1028 4.111,1029 5.007,1031 7.714,1032 4.01,1033 7.636,1034 1.139,1035 9.174,1036 3.181,1037 6.163,1038 7.507,1039 0.138,1040 10.854,1041 6.063,1042 8.995,1043 1,1044 10.905,1045 2.953,1046 6.581,1047 8.167,1049 12.683,1050 6.433,1051 10.388,1052 1,1053 12.679,1054 2.339,1055 8.077,1056 10.083,1057 0.039,1058 15.337,1059 7.927,1060 11.805,1061 0.896,1062 14.483,1063 2.275,1064 8.891,1065 11.165,1067 17.526,1068 8.699,1069 13.242,1070 0.662,1071 16.309,1072 2.136,1073 10.171,1074 12.836,1075 0.011,1076 20.026,1077 9.967,1078 3.257,1079 0.062,1080 18.153,1081 1.571,1082 11.17,1083 14.127,1085 22.362,1086 10.93,1087 3.037,1088 11.648,1089 20.01,1090 0.16,1091 12.366,1092 15.691,1093 0.003,1094 24.814,1095 12.108,1096 2.555,1097 10.117,1098 21.879,1099 4.529,1100 13.452,1101 17.086,1103 27.21,1104 13.16,1105 2.526,1106 8.039,1107 23.756,1108 4.264,1109 14.619,1110 18.605,1111 0.001,1112 29.65,1113 14.305,1114 2.256,1115 7.278,1116 25.641,1117 3.524,1118 15.744,1119 20.05,1121 32.071,1122 15.401,1123 1.928,1124 6.31,1125 27.533,1126 3.449,1127 16.904,1128 21.552,1130 34.511,1131 16.535,1132 1.869,1133 5.495,1134 29.429,1135 3.085,1136 18.049,1137 23.022,1139 36.944,1140 17.652,1141 9832,1142 16701,1143 22.77,1144 32.54,1145 50.581,1146 50.41,1147 51.27,1148 50.099,1149 49.993,1150 70.164,1151 1.043,1152 145.942,1153 48.663,1154 5.41,1155 5.296,1156 6.716,1157 5.257,1158 5.257,1159 7.529,1160 1.043,1161 18.912,1162 5.172,1163 10.064,1164 1.533,1165 1.528,1166 1.554,1167 1.518,1168 1.515,1169 2.126,1170 0.032,1171 4.422,1172 1.475,1173 4.139,1174 4.18,1175 4.111,1176 4.034,1177 8.201,1178 4.046,1179 3.991,1180 4.037,1181 3.954,1182 3.885,1183 5.249,1184 3.892,1185 3.876,1186 3.906,1187 3.81,1188 3.818,1189 5.078,1190 3.813,1191 3.7,1192 3.756,1193 3.663,1194 3.505,1195 4.746,1196 3.54,1197 3.373,1198 3.448,1199 3.29,1200 3.168,1201 4.728,1202 3.19,1203 3.069,1204 3.138,1205 2.946,1206 2.94,1207 4.584,1208 2.933,1209 2.912,1210 2.997,1211 2.831,1212 2.76,1213 4.283,1214 2.764,1215 2.854,1216 2.925,1217 2.758,1218 2.735,1219 3.799,1220 2.715,1221 0.14,1222 0.1,1223 0.21,1224 0.128,1225 0.099,1226 4.633,1227 0.137,1228 3.296,1229 0.016,1230 6.914,1231 0.353,1232 4.231,1233 0.096,1234 3.257,1235 4.529,1236 0.522,1237 11.648,1238 3.172,1239 1.972,1240 1.951,1241 2.058,1242 2.052,1243 1.213,1244 2.054,1245 1.912,1246 1.884,1247 2.02,1248 1.996,1249 1.147,1250 2.005,1251 1.866,1252 1.842,1253 1.964,1254 1.948,1255 1.062,1256 1.955,1257 1.416,1258 1.362,1259 1.566,1260 1.747,1261 0.734,1262 1.695,1263 1.39,1264 1.307,1265 1.545,1266 1.648,1267 0.485,1268 1.619,1269 1.208,1270 1.153,1271 1.293,1272 1.418,1273 0.412,1274 1.375,1275 0.886,1276 0.834,1277 1.181,1278 1.117,1279 0.218,1280 1.107,1281 0.886,1282 0.821,1283 1.181,1284 1.085,1285 0.218,1286 1.107,1287 4.205,1289 5.541,1290 3.045,1291 7.071,1292 5.416,1293 8.686,1294 7.516,1295 10.348,1299 13.52,1301 5.995,1303 0.552,1314 31.673,1315 70.98,1316 159.29,1317 193.555,1318 228.574,1319 234.084,1320 234.084,1321 41.303,1322 7.903,1323 85.41,1324 85.41,1325 28,1326 12.777,1327 4.807,1328 3.858,1329 39.251,1330 99,1331 111,1332 0.184,1333 191.67,1334 313.25,1335 459.435,1336 27862,1337 2.2,1338 19.794,1339 0.683,1340 0.53,1341 18.924,1342 15.379,1343 14.187,1344 0.43,1345 0.278,1346 9.045,1347 13.684,1348 8.885,1349 7.353,1350 13.793,1351 9.162,1352 12.89,1353 0.274,1354 0.145,1355 12.268,1356 6.806,1357 11.293,1358 0.174,1359 0.075,1360 10.882,1361 4.885,1362 9.66,1363 0.109,1364 0.039,1365 9.508,1366 3.445,1367 7.984,1368 0.071,1369 0.021,1370 7.749,1371 2.348,1372 0.28,1373 88.666,1374 0.21,1375 27.067,1376 0.532,1377 160,1378 486.337,1379 174.266,1380 459.715,1381 639.61,1382 430,1383 192,1384 493.441,1385 207.566,1386 495.317,1387 722.45,1388 467,1389 5.1}
{0 CHEMBL1986530,1 1.657,2 13.182,3 2.758,4 7.604,5 123.023,6 7.734,7 0.324,8 4.175,9 4.299,10 3.778,11 3.701,12 5.283,13 3.696,14 4.748,15 4.931,16 4.15,17 4.12,18 5.834,19 4.09,20 5.034,21 5.248,22 4.258,23 4.284,24 6.112,25 4.232,26 5.096,27 5.318,28 4.196,29 4.244,30 6.278,31 4.185,32 5.048,33 5.277,34 4.102,35 4.209,36 6.124,37 4.136,38 5.01,39 5.245,40 3.992,41 4.16,42 6.083,43 4.072,44 4.914,45 5.162,46 3.976,47 4.06,48 6.052,49 3.97,50 4.788,51 5.027,52 3.942,53 3.929,54 5.923,55 3.87,56 0.083,57 0.986,58 11.069,59 5.085,60 10.298,61 6.564,62 0.384,63 1.6,64 22.673,65 8.609,66 28.974,67 11.656,68 0.458,69 1.976,70 32.751,71 11.824,72 56.504,73 16.153,74 0.818,75 1.973,76 36.769,77 11.622,78 119.922,79 15.845,80 0.686,81 1.857,82 35.078,83 11.45,84 88.749,85 15.594,86 0.639,87 1.884,88 34.684,89 11.97,90 94.717,91 15.567,92 0.681,93 1.697,94 31.744,95 11.109,96 82.235,97 15.361,98 0.431,99 1.471,100 27.454,101 9.657,102 53.502,103 13.328,104 10,105 52,106 0.269,107 0.607,108 0.754,109 0.799,110 0.838,111 0.849,112 3.532,113 0.915,114 -4.67,115 -4.58,116 -4.31,119 41.4,121 5,125 4,136 2,142 4,143 2,144 1,145 2,150 1,156 1,158 2,168 1,172 11,174 4,175 7,178 1,180 1,183 13,187 2,188 7,193 3,196 10,200 11,205 3,208 6,212 3,213 10,218 3,221 9,225 2,230 2,233 9,237 4,238 9,246 6,250 10,253 2,258 2,264 9,272 1,276 1988,277 22.637,278 22.637,279 22.637,280 22.637,281 22.637,282 20.444,283 28.588,284 13.319,285 23.069,286 18.248,287 18.248,288 18.248,289 18.248,290 18.248,291 14.823,292 33.148,293 6.308,294 18.92,295 4.201,296 2.113,297 1.207,298 0.931,299 0.69,300 0.621,301 4.242,305 1,306 1,307 966,308 3,312 510.227,316 152.135,319 2.248,320 43.53,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 72.5,332 435,333 4.497,334 3.733,335 6.676,336 4.134,337 3.14,338 4.035,339 1.2,340 10.747,341 3.121,342 4.397,343 3.684,344 6.592,345 4.059,346 3.079,347 3.943,348 1.037,349 10.346,350 3.013,351 4.08,352 3.185,353 6.14,354 3.76,355 2.845,356 3.55,357 0.98,358 9.043,359 2.607,360 3.821,361 3.104,362 5.724,363 3.511,364 2.538,365 3.116,366 0.8,367 7.767,368 2.469,369 3.611,370 2.942,371 5.616,372 3.287,373 2.323,374 2.81,375 0.293,376 7.242,377 2.229,378 3.369,379 2.59,380 5.17,381 3.037,382 2.046,383 2.575,385 6.167,386 2.009,387 3.205,388 2.304,389 4.621,390 2.838,391 1.876,392 2.381,394 4.76,395 1.81,396 3.175,397 2.247,398 4.576,399 2.789,400 1.825,401 2.251,403 4.705,404 1.742,405 2.858,406 1.878,407 4.349,408 2.488,409 1.521,410 1.957,412 3.996,413 1.46,414 2.54,415 1.596,416 3.703,417 2.275,418 1.284,419 1.531,421 2.853,422 1.271,423 2.5,424 1.398,425 3.622,426 2.112,427 1.153,428 1.5,430 2.729,431 1.103,432 2.443,433 1.345,434 3.595,435 2.014,436 1.013,437 1.403,439 2.552,440 1.01,441 2.212,442 1.225,443 3.452,444 1.967,445 1,446 1.067,448 2.275,449 0.965,450 2.12,451 1.146,452 3.414,453 1.917,454 1,455 1.021,457 2.136,458 0.916,459 2,460 1.027,461 3.247,462 1.765,463 0.751,464 1,466 1.905,467 0.752,468 15.352,469 0.465,470 0.747,471 0.023,472 40.75,473 1.235,474 18.5,475 0.561,476 22.25,477 0.674,478 30.546,479 0.926,480 35.648,481 0.615,482 32.115,483 0.973,484 7.916,485 0.24,486 8.181,487 0.248,488 0.062,490 0.345,494 1,496 0.604,497 1.254,498 0.711,499 1.119,500 0.481,501 0.971,502 0.648,503 0.995,504 0.839,505 0.983,506 0.513,507 0.95,508 0.837,509 1.098,510 0.898,511 1.08,512 0.757,513 1.014,514 1.15,515 1.005,516 1.104,517 1.029,518 1.164,519 1.047,520 1.092,521 0.899,522 1.101,523 0.974,524 1.15,525 1.026,526 1.35,527 1.138,528 1.176,529 1.058,530 1.411,531 1.084,532 0.787,533 0.968,534 0.894,535 1.023,536 0.873,537 1,538 0.805,539 1.076,540 0.75,541 1.063,542 0.937,543 0.939,544 5.5,545 0.153,546 4.222,547 2.375,548 1.733,549 1,550 0.726,551 0.599,552 0.444,553 0.317,554 16965,555 46067,556 2.15,557 43.1,558 8,559 12,561 2,562 1,563 2,567 1.751,568 2.041,569 3.671,570 -0.322,572 1,577 96.118,578 1.657,579 3.745,580 4.651,581 4.927,582 5.168,583 5.237,584 3.095,585 4.802,586 5.015,587 3.859,588 2037.37,589 8.775,590 30730.8,592 1,595 339.763,596 1.301,597 4.989,598 0.149,599 0.005,600 0.081,601 0.042,602 0.035,603 0.022,604 0.018,605 0.015,606 0.011,607 0.008,608 0.386,609 0.17,610 0.88,611 0.467,612 176.149,613 0.002,614 -0.143,615 0.06,616 -0.059,617 0.014,618 -0.004,619 0.07,620 0.043,621 0.025,622 0.013,623 0.055,624 0.009,625 -0.007,626 -0.113,627 0.032,628 -0.077,629 0.027,630 -0.024,631 -0.061,632 -0.025,633 -0.118,634 -0.065,635 -0.023,636 -0.092,637 -0.118,638 0.014,639 -0.126,640 -0.01,641 -0.142,642 -0.059,643 -0.196,644 -0.046,645 -0.166,646 -0.038,647 -0.19,648 -0.085,649 0.199,650 0.067,651 0.111,652 -0.003,653 0.11,654 0.023,655 0.152,656 -0.144,657 0.247,658 -0.052,659 0.08,660 0.081,661 2.2,662 6.641,663 0.848,664 36.4,665 1.011,666 1.136,667 3.436,668 11.807,669 0.664,670 3.638,671 3.97,672 4.277,673 4.533,674 4.787,675 4.804,676 4.963,677 5.081,678 5.215,679 5.278,680 7.741,681 0.642,682 448.55,683 3.638,684 5.187,685 6.052,686 6.932,687 7.81,688 8.693,689 9.575,690 10.46,691 11.343,692 12.229,693 10.3,699 1,700 2,702 1,703 2,709 6,710 2,714 4,716 12,724 1,730 1,734 1,735 58,737 16,738 1,739 37,741 62,742 24,743 10,744 3,745 3,746 5,748 5,749 6,751 1,757 4,760 5,762 15,763 9,767 4,772 2,775 1,776 5,780 1,781 1,783 25,784 9,785 1,786 9,792 6,797 0.8,798 2,810 1,816 5,820 1,835 2,843 4,849 1,851 33,858 9,860 1,864 2,873 1,874 3.4,877 2,881 16.167,882 10.476,883 7.194,884 3.744,886 2.745,887 1.331,888 1.009,889 6.192,890 11.035,891 3.871,892 4.419,893 4.956,894 5.436,895 5.906,896 5.966,897 6.284,898 6.554,899 6.852,900 7.16,901 0.889,902 56,903 12.345,905 5.455,906 7.864,907 23.451,909 19.831,911 2.364,912 78,915 1,916 282.506,917 113.024,918 74.371,920 50.29,921 14.96,923 113.024,924 332.796,925 89.331,927 42.108,928 37.905,929 119.569,930 59.745,931 16.859,932 258.964,934 282.506,935 187.395,936 65.25,939 297.467,940 50.29,943 78.765,944 75.059,945 33.571,947 297.467,948 124.661,949 113.024,952 282.506,953 57.024,954 62.248,955 17.888,956 115.484,957 282.506,958 139.621,959 113.024,961 0.584,962 0.352,963 0.192,964 0.106,965 26,966 11,967 0.065,968 4,969 1,970 1.071,971 4.449,972 312.176,973 0.071,974 28,975 158.465,981 21.727,982 9.405,983 4.534,985 139.621,986 9.779,987 8.511,991 0.96,993 17.888,994 535.151,995 47,1000 25.235,1003 4.267,1004 2.167,1007 58.614,1008 65.9,1009 0.283,1010 0.639,1011 0.794,1012 0.841,1013 0.882,1014 0.894,1015 5.13,1016 1.825,1017 6.033,1018 4.76,1019 4.654,1020 5.106,1021 2.187,1022 6.853,1023 4.588,1024 6.316,1025 1.521,1026 7.598,1027 4.705,1028 4.205,1029 4.844,1030 0.57,1031 7.771,1032 4.106,1033 7.62,1034 1.284,1035 9.266,1036 3.996,1037 6.256,1038 7.207,1039 2.213,1040 10.888,1041 6.131,1042 8.957,1043 1.153,1044 10.995,1045 2.853,1046 6.648,1047 7.767,1048 0.801,1049 12.638,1050 6.5,1051 10.328,1052 1.013,1053 12.763,1054 2.729,1055 8.147,1056 9.604,1057 2.324,1058 15.262,1059 7.975,1060 11.723,1061 1,1062 14.557,1063 2.552,1064 8.927,1065 10.547,1066 1.074,1067 17.35,1068 8.742,1069 13.135,1070 1,1071 16.37,1072 2.275,1073 10.201,1074 12.157,1075 2.474,1076 19.802,1077 9.995,1078 3.14,1079 0.751,1080 18.197,1081 2.136,1082 11.165,1083 13.297,1084 1.404,1085 22.035,1086 10.95,1087 3.079,1088 10.747,1089 20.035,1090 1.905,1091 12.345,1092 14.798,1093 2.655,1094 24.424,1095 12.114,1096 2.845,1097 10.346,1098 21.88,1099 4.035,1100 13.395,1101 16.043,1102 1.768,1103 26.721,1104 13.156,1105 2.538,1106 9.043,1107 23.732,1108 3.943,1109 14.538,1110 17.487,1111 2.864,1112 29.088,1113 14.288,1114 2.323,1115 7.767,1116 25.59,1117 3.55,1118 15.628,1119 18.791,1120 2.15,1121 31.416,1122 15.371,1123 2.046,1124 7.242,1125 27.452,1126 3.116,1127 16.758,1128 20.205,1129 3.098,1130 33.775,1131 16.492,1132 1.876,1133 6.167,1134 29.318,1135 2.81,1136 17.867,1137 21.542,1138 2.538,1139 36.118,1140 17.595,1141 15635,1142 25934,1143 25.255,1144 38.495,1145 56.392,1146 58.48,1147 57.156,1148 55.674,1149 55.577,1150 69.211,1151 8.618,1152 160.352,1153 53.739,1154 5.497,1155 5.733,1156 6.478,1157 5.203,1158 5.14,1159 7.035,1160 2.293,1161 17.924,1162 5.121,1163 13.056,1164 1.524,1165 1.581,1166 1.545,1167 1.505,1168 1.502,1169 1.871,1170 0.233,1171 4.334,1172 1.452,1173 4.034,1174 4.07,1175 3.984,1176 3.94,1177 8.201,1178 3.944,1179 3.921,1180 3.971,1181 3.864,1182 3.811,1183 7.431,1184 3.815,1185 3.865,1186 3.907,1187 3.812,1188 3.692,1189 7.426,1190 3.715,1191 3.681,1192 3.744,1193 3.586,1194 3.507,1195 5.004,1196 3.517,1197 3.489,1198 3.558,1199 3.366,1200 3.304,1201 4.755,1202 3.31,1203 3.281,1204 3.315,1205 3.211,1206 3.085,1207 4.542,1208 3.108,1209 3.164,1210 3.211,1211 3.088,1212 2.964,1213 4.264,1214 2.983,1215 3.111,1216 3.206,1217 2.866,1218 2.941,1219 4.172,1220 2.91,1221 0.122,1222 0.101,1223 0.18,1224 0.112,1225 0.085,1226 4.497,1227 0.109,1228 3.733,1229 0.032,1230 6.676,1231 0.29,1232 4.134,1233 0.084,1234 3.14,1235 4.035,1236 1.2,1237 10.747,1238 3.121,1239 1.972,1240 1.945,1241 2.095,1242 2.09,1243 1.422,1244 2.088,1245 1.887,1246 1.856,1247 2.015,1248 2.049,1249 1.282,1250 2.039,1251 1.8,1252 1.74,1253 1.951,1254 1.967,1255 1.17,1256 1.964,1257 1.639,1258 1.579,1259 1.804,1260 1.834,1261 0.825,1262 1.831,1263 1.441,1264 1.382,1265 1.616,1266 1.672,1267 0.808,1268 1.659,1269 1.203,1270 1.166,1271 1.513,1272 1.431,1273 0.765,1274 1.429,1275 1.153,1276 1.064,1277 1.452,1278 1.376,1279 0.733,1280 1.422,1281 1.099,1282 1.05,1283 1.328,1284 1.337,1285 0.533,1286 1.338,1287 4.317,1289 5.645,1291 7.183,1293 8.811,1295 10.484,1299 14.641,1303 6.16,1305 2.597,1309 3.684,1314 37.209,1315 96.118,1316 217.194,1317 269.763,1318 285.763,1319 299.763,1320 303.763,1321 69.997,1322 8.29,1323 95.08,1324 95.08,1325 30,1326 12.761,1327 4.087,1328 3.459,1329 47.967,1330 152,1331 161,1332 0.15,1333 224.702,1334 403.41,1335 540.033,1336 54201,1337 1.7,1338 22.786,1339 0.69,1340 0.553,1341 21.916,1342 18.259,1343 16.097,1344 0.435,1345 0.305,1346 11.116,1347 15.392,1348 10.951,1349 8.968,1350 15.687,1351 11.289,1352 14.415,1353 0.277,1354 0.163,1355 13.887,1356 8.483,1357 12.759,1358 0.18,1359 0.09,1360 12.284,1361 6.417,1362 10.598,1363 0.115,1364 0.051,1365 10.263,1366 4.648,1367 8.926,1368 0.075,1369 0.029,1370 8.587,1371 3.404,1372 0.239,1373 101.571,1374 0.199,1375 30.905,1376 0.401,1377 178,1378 578.141,1379 198.138,1380 530.637,1381 716.17,1382 496,1383 212,1384 521.621,1385 233.161,1386 518.399,1387 762.68,1388 489,1389 5.1}
{0 CHEMBL1986597,1 1.758,2 14.917,3 2.387,4 5.696,5 132.841,6 8.569,7 0.55,8 4.208,9 4.304,10 4.002,11 3.78,12 5.362,13 3.767,14 4.739,15 4.867,16 4.345,17 4.178,18 6.082,19 4.151,20 4.986,21 5.145,22 4.419,23 4.327,24 6.21,25 4.271,26 5.075,27 5.252,28 4.377,29 4.281,30 6.395,31 4.24,32 5,33 5.184,34 4.267,35 4.189,36 6.341,37 4.154,38 4.863,39 5.047,40 4.086,41 4.153,42 6.2,43 4.072,44 4.838,45 5.05,46 4.013,47 4.097,48 5.914,49 4.003,50 4.784,51 4.991,52 3.969,53 3.943,54 6.029,55 3.868,56 0.176,57 0.92,58 12.199,59 5.382,60 26.262,61 5.746,62 0.602,63 1.457,64 20.252,65 9.08,66 69.636,67 10.162,68 0.619,69 1.812,70 34.863,71 12.909,72 68.105,73 13.924,74 0.921,75 1.869,76 39.384,77 12.982,78 137.263,79 13.837,80 1.02,81 1.664,82 33.773,83 11.498,84 136.463,85 13.284,86 0.822,87 1.496,88 26.756,89 11.006,90 123.757,91 13.489,92 0.453,93 1.453,94 26.974,95 11.112,96 54.28,97 14.138,98 0.619,99 1.351,100 28.611,101 10.085,102 79.969,103 12.061,104 27,105 58,106 0.28,107 0.605,108 0.731,109 0.828,110 0.85,111 0.85,112 3.615,113 0.949,114 -2.61,115 -2.63,116 -2.56,119 42.4,125 4,142 11,143 3,144 2,146 1,152 1,158 2,161 1,163 1,164 1,165 1,172 11,174 3,175 4,177 1,178 3,180 6,183 10,185 1,187 1,188 13,193 9,196 5,198 1,199 1,200 13,202 1,203 1,205 6,208 4,210 1,212 2,213 7,216 1,217 1,218 2,220 1,221 12,223 1,224 3,225 4,228 4,229 1,230 1,233 15,235 1,238 4,243 2,246 10,248 2,249 1,250 10,253 1,255 5,258 3,260 2,263 1,264 8,267 1,269 4,272 1,276 2360,277 24.134,278 24.134,279 24.134,280 24.134,281 24.134,282 21.144,283 20.29,284 14.01,285 24.613,286 19.736,287 19.736,288 19.736,289 19.736,290 19.736,291 15.006,292 24.357,293 6.613,294 20.506,295 4.125,296 2.082,297 1.289,298 0.678,299 0.542,300 0.542,301 4.318,306 1,307 1179,308 4.183,311 87.986,312 498.355,315 171.363,319 2.319,320 55.946,323 0.75,324 0.67,325 0.83,326 0.5,328 0.67,329 0.5,330 0.56,331 79.5,332 537,333 4.934,334 4.726,335 7.668,336 4.437,337 3.515,338 4.763,339 1.058,340 13.624,341 3.218,342 4.622,343 3.569,344 6.694,345 4.152,346 3.18,347 4.567,348 0.98,349 10.842,350 3.095,351 4.199,352 3.546,353 6.124,354 3.841,355 2.846,356 3.778,357 0.86,358 8.953,359 2.826,360 4.106,361 3.037,362 6.075,363 3.732,364 2.738,365 3.649,366 0.4,367 8.767,368 2.715,369 3.806,370 2.709,371 5.563,372 3.389,373 2.409,374 3.261,376 7.109,377 2.356,378 3.588,379 2.67,380 5.532,381 3.199,382 2.224,383 2.945,385 6.793,386 2.168,387 3.376,388 2.371,389 5.28,390 3.073,391 2.126,392 2.633,394 6.328,395 1.998,396 3.085,397 2.196,398 4.428,399 2.705,400 1.734,401 2.274,403 4.386,404 1.67,405 3.015,406 1.952,407 4.373,408 2.506,409 1.531,410 2.116,412 4.055,413 1.492,414 2.883,415 1.791,416 4.284,417 2.353,418 1.36,419 1.963,421 3.68,422 1.338,423 2.704,424 1.543,425 3.965,426 2.244,427 1.295,428 1.759,430 3.114,431 1.22,432 2.635,433 1.322,434 3.742,435 2.144,436 1.179,437 1.681,439 2.903,440 1.134,441 2.526,442 1.256,443 3.545,444 2.007,445 1,446 1.5,448 2.569,449 1.001,450 2.5,451 1.208,452 3.454,453 2,454 1,455 1.478,457 2.402,458 1,459 2.236,460 1.095,461 3.414,462 1.952,463 1,464 1.186,466 2.275,467 0.946,468 17,469 0.472,470 1.019,471 0.028,472 50.25,473 1.396,474 26.5,475 0.736,476 23.75,477 0.66,478 27.834,479 0.773,480 38.2,481 0.647,482 43.986,483 1.222,484 10.01,485 0.278,486 7.314,487 0.203,488 0.102,489 0.049,490 0.318,496 0.669,497 1.265,498 0.769,499 1.131,500 0.652,501 0.862,502 0.755,503 1.065,504 0.807,505 0.907,506 0.548,507 0.9,508 1.024,509 1.217,510 1.275,511 1.241,512 0.858,513 1.038,514 1.359,515 1.071,516 1.27,517 1.112,518 1.498,519 1.011,520 1.184,521 0.9,522 0.947,523 0.892,524 1.409,525 0.935,526 0.661,527 0.807,528 0.926,529 0.948,530 0.78,531 1.098,532 0.696,533 1.06,534 0.805,535 1.012,536 0.613,537 1.081,538 1.01,539 1.101,540 1.034,541 1.083,542 1.035,543 1.064,544 8,545 0.181,546 5.111,547 2.944,548 2.129,549 1.58,550 0.621,551 0.595,552 0.406,553 0.251,554 22191,555 68863,556 2.096,557 39,559 19,562 4,567 1.769,568 1.955,569 3.844,570 1.55,577 103.718,578 1.758,579 3.8,580 4.594,581 5.205,582 5.34,583 5.34,584 3.274,585 4.67,586 5.144,587 4.042,588 2546.56,589 9.008,590 42245.4,595 347.076,596 1.548,597 5.093,598 0.2,599 0.006,600 0.088,601 0.048,602 0.037,603 0.03,604 0.014,605 0.015,606 0.011,607 0.008,608 0.457,609 0.17,610 0.63,611 0.683,612 199.626,613 -0.017,614 -0.088,615 0.16,616 -0.04,617 -0.124,618 0.05,619 0.127,620 0.03,621 0.058,622 0.073,623 0.156,624 0.007,625 -0.122,626 -0.151,627 -0.129,628 -0.11,629 -0.016,630 -0.059,631 -0.219,632 -0.047,633 -0.17,634 -0.076,635 -0.178,636 -0.06,637 -0.04,638 0.059,639 -0.024,640 0.035,641 -0.124,642 0.02,643 0.188,644 0.154,645 -0.088,646 -0.015,647 0.128,648 -0.107,649 0.006,650 -0.134,651 0.065,652 -0.06,653 0.002,654 -0.034,655 -0.035,656 -0.148,657 -0.01,658 -0.091,659 -0.026,660 -0.054,661 4.63,662 5.92,663 0.75,664 42.364,665 1.02,666 1.122,667 1.381,668 1.907,669 0.692,670 3.714,671 4.078,672 4.369,673 4.615,674 4.844,675 4.913,676 5.056,677 5.13,678 5.204,679 5.313,680 8.781,681 0.671,682 505.6,683 3.714,684 5.283,685 6.151,686 7.045,687 7.93,688 8.827,689 9.718,690 10.616,691 11.51,692 12.409,693 8.5,696 1,700 2,701 1,703 1,708 2,709 11,710 1,711 1,714 6,716 22,722 1,723 1,735 59,737 26,738 3,739 40,741 63,742 25,743 19,744 7,745 11,746 2,748 5,749 6,762 21,763 4,767 4,770 1,772 4,776 2,783 23,784 9,785 4,786 11,787 1,789 1,792 5,797 0.8,798 5,815 1,816 4,819 1,842 1,843 4,845 1,851 36,852 1,855 1,858 4,860 1,861 1,864 1,874 8.5,877 4,878 1,881 18.417,882 10.4,883 7.722,884 3.326,886 4.516,887 1.53,888 1.031,889 6.603,890 13.034,891 4.025,892 4.675,893 5.269,894 5.852,895 6.406,896 6.754,897 7.206,898 7.58,899 7.896,900 8.301,901 0.9,902 61,903 13.632,905 6.291,906 8.03,907 24.93,909 21.002,911 2.53,912 91.083,916 223.651,917 153.332,918 85.998,920 105.603,922 5.807,923 147.525,924 329.254,925 85.998,927 64.304,928 110.046,929 134.125,930 34.312,931 2.144,932 223.651,934 223.651,935 233.522,936 105.603,937 5.807,939 223.651,940 94.603,941 11,943 87.08,944 129.656,945 22.593,947 223.651,948 191.6,949 153.332,951 5.807,952 223.651,953 43.286,954 105.757,955 34.796,956 155.285,957 223.651,958 191.6,959 153.332,961 0.593,962 0.353,963 0.186,964 0.101,965 29,966 13,967 0.095,968 6,969 1,970 1.074,971 4.654,972 347.8,973 0.074,974 27,975 176.117,980 1,981 24.162,982 9.838,983 4.928,984 1.176,985 174.815,986 18.09,987 4.501,988 3.166,991 2.448,993 67.693,994 568.583,995 55,998 -3.713,1000 50.35,1004 -0.991,1007 60.174,1008 66.195,1009 0.299,1010 0.646,1011 0.781,1012 0.885,1013 0.908,1014 0.908,1015 5.281,1016 1.734,1017 6.172,1018 6.328,1019 4.762,1020 5.364,1021 1.94,1022 7.045,1023 4.69,1024 6.525,1025 1.531,1026 7.779,1027 4.386,1028 4.511,1029 5.414,1031 8.249,1032 4.39,1033 7.878,1034 1.36,1035 9.503,1036 4.055,1037 6.45,1038 7.691,1039 1.871,1040 11.338,1041 6.293,1042 9.274,1043 1.295,1044 11.3,1045 3.68,1046 7.04,1047 8.587,1049 13.419,1050 6.811,1051 10.709,1052 1.179,1053 13.148,1054 3.114,1055 8.491,1056 10.384,1057 1.856,1058 16.116,1059 8.221,1060 12.173,1061 1,1062 15.031,1063 2.903,1064 9.44,1065 11.641,1067 18.522,1068 9.088,1069 13.658,1070 1,1071 16.943,1072 2.569,1073 10.724,1074 13.269,1075 1.863,1076 21.129,1077 10.318,1078 3.515,1079 1,1080 18.875,1081 2.402,1082 11.83,1083 14.683,1085 23.656,1086 11.335,1087 3.18,1088 13.624,1089 20.826,1090 2.275,1091 13.063,1092 16.251,1093 1.887,1094 26.249,1095 12.501,1096 2.846,1097 10.842,1098 22.791,1099 4.763,1100 14.236,1101 17.735,1103 28.822,1104 13.584,1105 2.738,1106 8.953,1107 24.767,1108 4.567,1109 15.459,1110 19.283,1111 1.923,1112 31.418,1113 14.729,1114 2.409,1115 8.767,1116 26.754,1117 3.778,1118 16.664,1119 20.799,1121 34.01,1122 15.843,1123 2.224,1124 7.109,1125 28.749,1126 3.649,1127 17.889,1128 22.342,1129 1.969,1130 36.611,1131 16.983,1132 2.126,1133 6.793,1134 30.75,1135 3.261,1136 19.11,1137 23.873,1139 39.212,1140 18.113,1141 20651,1142 36559,1143 26.641,1144 40.801,1145 61.555,1146 63.845,1147 62.479,1148 61.118,1149 61.138,1150 82.388,1151 6.596,1152 182.145,1153 59.012,1154 5.934,1155 6.726,1156 7.47,1157 5.541,1158 5.515,1159 7.763,1160 2.117,1161 21.624,1162 5.218,1163 18.339,1164 1.539,1165 1.596,1166 1.562,1167 1.528,1168 1.528,1169 2.06,1170 0.165,1171 4.554,1172 1.475,1173 4.147,1174 4.178,1175 4.742,1176 4.087,1177 7.715,1178 4.05,1179 4.087,1180 4.075,1181 4.107,1182 4.016,1183 7.438,1184 3.986,1185 3.878,1186 3.904,1187 3.847,1188 3.806,1189 7.429,1190 3.802,1191 3.765,1192 3.801,1193 3.731,1194 3.643,1195 6.999,1196 3.621,1197 3.524,1198 3.538,1199 3.517,1200 3.352,1201 5.071,1202 3.331,1203 3.456,1204 3.47,1205 3.415,1206 3.249,1207 4.871,1208 3.268,1209 3.29,1210 3.336,1211 3.228,1212 3.074,1213 4.71,1214 3.101,1215 3.197,1216 3.238,1217 3.121,1218 2.998,1219 4.651,1220 3.017,1221 0.123,1222 0.118,1223 0.192,1224 0.111,1225 0.088,1226 4.934,1227 0.119,1228 4.726,1229 0.026,1230 7.668,1231 0.341,1232 4.437,1233 0.08,1234 3.515,1235 4.763,1236 1.058,1237 13.624,1238 3.218,1239 1.984,1240 1.99,1241 2.027,1242 2.071,1243 1.28,1244 2.097,1245 1.931,1246 1.908,1247 2.005,1248 2.031,1249 1.131,1250 2.028,1251 1.904,1252 1.88,1253 1.975,1254 2,1255 1.113,1256 2.003,1257 1.705,1258 1.67,1259 1.89,1260 1.903,1261 1.084,1262 1.905,1263 1.395,1264 1.378,1265 1.513,1266 1.651,1267 0.825,1268 1.615,1269 1.318,1270 1.309,1271 1.492,1272 1.532,1273 0.563,1274 1.536,1275 1.171,1276 1.135,1277 1.358,1278 1.455,1279 0.491,1280 1.44,1281 1.153,1282 1.064,1283 1.26,1284 1.376,1285 0.291,1286 1.429,1287 4.394,1289 5.746,1290 2.398,1291 7.295,1292 4.727,1293 8.928,1294 6.862,1295 10.603,1301 5.439,1303 1.242,1305 2.787,1306 5.231,1309 1.358,1314 39.609,1315 103.718,1316 224.214,1317 271.022,1318 307.076,1319 315.076,1320 315.076,1321 84.404,1322 8.517,1323 147.48,1324 155.86,1325 29,1326 12.932,1327 4.755,1328 4,1329 54.876,1330 195,1331 164,1332 0.137,1333 243.567,1334 421.44,1335 586.063,1336 72715,1338 25.286,1339 0.702,1340 0.553,1341 25.536,1342 19.917,1343 17.325,1344 0.433,1345 0.316,1346 11.157,1347 15.833,1348 10.862,1349 8.912,1350 18.113,1351 12.651,1352 16.268,1353 0.28,1354 0.175,1355 17.587,1356 10.165,1357 13.797,1358 0.177,1359 0.1,1360 15.124,1361 7.793,1362 11.314,1363 0.113,1364 0.055,1365 12.42,1366 5.471,1367 9.19,1368 0.073,1369 0.03,1370 10.194,1371 3.745,1372 0.222,1373 117.055,1374 0.194,1375 33.452,1376 0.355,1377 196,1378 636.806,1379 257.161,1380 629.921,1381 850.52,1382 582,1383 234,1384 591.112,1385 302.619,1386 633.733,1387 932.31,1388 596,1389 5.1}
{0 CHEMBL1986603,1 1.787,2 15.438,3 2.286,4 5.224,5 121.184,6 8.52,7 0.6,8 4.097,9 4.214,10 3.808,11 3.622,12 5.299,13 3.613,14 4.579,15 4.739,16 4.191,17 3.975,18 5.788,19 3.947,20 4.744,21 4.938,22 4.086,23 4.016,24 5.875,25 3.954,26 4.751,27 4.938,28 4.125,29 4.043,30 5.963,31 3.958,32 4.706,33 4.897,34 3.971,35 3.96,36 5.894,37 3.89,38 4.701,39 4.933,40 3.874,41 3.858,42 5.884,43 3.761,44 4.584,45 4.793,46 3.835,47 3.749,48 5.746,49 3.678,50 4.487,51 4.681,52 3.943,53 3.744,54 5.743,55 3.684,56 0.176,57 0.867,58 9.25,59 4.425,60 10.985,61 5.147,62 0.409,63 1.331,64 18.772,65 7.193,66 30.395,67 9.01,68 0.632,69 1.419,70 25.778,71 8.382,72 58.909,73 9.641,74 0.626,75 1.444,76 30.363,77 9.82,78 61.27,79 11.293,80 0.556,81 1.348,82 25.274,83 8.504,84 56.168,85 10.028,86 0.613,87 1.265,88 27.456,89 8.961,90 70.913,91 11.778,92 0.607,93 1.137,94 24.969,95 7.377,96 64.111,97 8.592,98 0.485,99 1.096,100 21.408,101 7.132,102 44.703,103 8.548,104 17,105 48,106 0.293,107 0.681,108 0.812,109 0.873,110 0.873,111 0.873,112 3.501,113 0.913,114 -4,115 -3.95,116 -3.74,119 39.6,120 2,121 1,125 1,142 6,143 1,144 1,145 1,146 1,147 1,151 1,152 2,158 1,159 1,162 1,166 2,172 4,175 10,178 5,179 1,180 4,183 6,188 6,191 1,196 6,199 2,200 9,203 2,204 1,205 5,208 7,212 1,213 4,218 2,221 4,224 1,225 5,228 3,229 1,230 5,233 3,237 1,238 4,241 1,243 2,249 3,250 5,253 3,255 5,258 3,263 1,264 1,267 2,272 3,276 2008,277 21.532,278 21.532,279 21.532,280 21.532,281 21.532,282 18.711,283 27.537,284 12.821,285 22.051,286 17.309,287 17.309,288 17.309,289 17.309,290 17.309,291 13.03,292 34.462,293 6.154,294 18.165,295 3.941,296 1.575,297 0.774,298 0.406,299 0.406,300 0.406,301 4.193,305 1,306 1,307 1074,308 3.873,311 328.41,312 118.052,319 2.563,320 30.48,323 1,324 0.67,325 1,326 0.6,328 0.83,329 0.5,330 0.66,331 70.5,332 494,333 4.451,334 3.598,335 6.503,336 4.014,337 3.082,338 4.157,339 1.907,340 10.176,341 2.89,342 4.213,343 3.542,344 6.137,345 3.785,346 2.841,347 3.842,348 1.656,349 9.032,350 2.671,351 4.111,352 3.13,353 5.619,354 3.709,355 2.741,356 3.72,357 0.247,358 7.787,359 2.654,360 3.804,361 2.958,362 5.478,363 3.447,364 2.495,365 3.247,366 0.149,367 7.304,368 2.374,369 3.636,370 2.779,371 5.065,372 3.302,373 2.3,374 2.88,376 6.083,377 2.285,378 3.565,379 2.371,380 5.007,381 3.135,382 2.161,383 2.808,385 5.911,386 2.087,387 3.255,388 2.043,389 4.662,390 2.783,391 1.833,392 2.536,394 4.907,395 1.736,396 3.038,397 2.03,398 4.485,399 2.681,400 1.708,401 2.187,403 4.581,404 1.654,405 3,406 1.773,407 4.464,408 2.57,409 1.631,410 2.15,412 4.42,413 1.503,414 2.5,415 1.637,416 3.894,417 2,418 1.054,419 1.5,421 2.795,422 1,423 2.481,424 1.113,425 3.414,426 1.992,427 1.008,428 1.474,430 2.275,431 0.979,432 2.26,433 1,434 3.328,435 1.965,436 1,437 1.156,439 2.211,440 0.951,441 2.222,442 0.835,443 3.271,444 1.715,445 0.768,446 1.121,448 1.951,449 0.716,450 2.175,451 0.796,452 3.26,453 1.69,454 0.722,455 1.044,457 1.712,458 0.694,459 2.118,460 0.731,461 3,462 1.565,463 0.618,464 0.927,466 1.372,467 0.584,468 15.133,469 0.473,470 0.784,471 0.024,472 43.5,473 1.359,474 22,475 0.688,476 21.5,477 0.672,478 25.412,479 0.794,480 34.067,481 0.643,482 32.392,483 1.012,484 8.75,485 0.273,486 6.724,487 0.21,488 0.11,490 0.324,496 0.723,497 1.256,498 0.702,499 0.951,500 0.574,501 0.879,502 0.603,503 1.198,504 0.731,505 1.028,506 0.518,507 0.926,508 1.382,509 0.947,510 1.136,511 0.85,512 1.279,513 0.923,514 0.936,515 1.052,516 1.347,517 1.28,518 1.081,519 1.099,520 1.133,521 1.109,522 1.237,523 1.143,524 1.277,525 1.133,526 0.683,527 1.004,528 0.951,529 1.07,530 0.64,531 1.051,532 1.455,533 0.989,534 1.212,535 0.978,536 1.71,537 0.961,538 0.852,539 0.998,540 0.96,541 1.096,542 0.987,543 0.971,544 7,545 0.127,546 3.111,547 2.417,548 1.087,549 1.14,550 0.506,551 0.459,552 0.238,553 0.285,554 17442,555 53672,556 2.082,557 39.6,559 8,560 1,561 1,562 3,563 8,567 1.738,568 1.959,569 3.885,570 0.946,572 1,577 94.696,578 1.787,579 4.153,580 4.954,581 5.322,582 5.322,583 5.322,584 3.382,585 4.476,586 4.969,587 4.098,588 2032.46,589 8.652,590 32497.1,592 1,595 303.58,596 1.366,597 4.936,598 0.2,599 0.005,600 0.065,601 0.058,602 0.026,603 0.03,604 0.015,605 0.015,606 0.007,607 0.009,608 0.43,609 0.33,610 1,611 0.531,612 173.982,613 0.02,614 -0.076,615 0.057,616 0.014,617 -0.041,618 0.011,619 0.208,620 -0.091,621 0.17,622 -0.034,623 0.129,624 0.009,625 -0.3,626 0.091,627 -0.13,628 0.139,629 -0.231,630 0.012,631 0.016,633 -0.141,634 -0.114,635 0.009,636 -0.1,637 -0.149,638 -0.082,639 -0.234,640 -0.132,641 -0.148,642 -0.174,643 0.207,644 -0.074,645 0.068,646 -0.071,647 0.262,648 -0.02,649 -0.232,650 -0.015,651 -0.096,652 0.053,653 -0.242,654 0.005,655 0.159,656 0.023,657 0.137,658 -0.029,659 0.152,660 0.009,661 2.093,662 5.164,663 0.656,664 43.219,665 1.018,666 1.131,667 2.769,668 7.666,669 0.686,670 3.584,671 3.892,672 4.111,673 4.357,674 4.394,675 4.489,676 4.605,677 4.644,678 4.71,679 4.787,680 8.98,681 0.664,682 451.56,683 3.584,684 5.118,685 5.948,686 6.812,687 7.656,688 8.523,689 9.374,690 10.243,691 11.099,692 11.969,693 13.2,700 3,701 1,703 3,709 8,710 3,712 1,713 1,714 7,715 1,716 21,735 53,737 23,738 1,739 35,741 56,742 21,743 15,744 2,745 4,748 4,749 4,753 1,754 2,760 1,762 17,763 4,767 2,772 2,776 2,780 1,783 21,784 9,785 3,786 11,787 1,791 1,792 7,797 1,798 3,807 1,815 3,816 1,829 1,843 4,845 1,847 2,851 32,858 2,860 3,868 1,874 5.7,877 2,879 1,881 16.333,882 10.133,883 7,884 2.997,886 3.364,887 1.44,888 0.99,889 6.974,890 11.001,891 3.882,892 4.469,893 4.993,894 5.57,895 5.831,896 6.162,897 6.594,898 6.905,899 7.27,900 7.579,901 1,902 42,903 11.771,905 4.947,906 7.87,907 22.041,909 17.505,911 2.37,912 75.833,916 211.88,917 155.836,918 108.854,920 60.024,922 31.278,923 124.558,924 271.904,925 108.854,926 17.65,927 58.672,928 65.905,929 119.811,930 29.758,931 25.182,932 219.615,934 211.88,935 233.412,936 60.024,937 31.278,939 211.88,940 60.024,943 90.404,944 89.963,945 53.045,946 31.278,947 211.88,948 168.878,949 155.836,952 211.88,953 63.233,954 94.379,955 54.032,956 113.069,957 211.88,958 168.878,959 155.836,961 0.579,962 0.326,963 0.176,964 0.081,965 22,966 10,967 0.125,968 7,970 1,971 4.562,972 272.008,974 21,975 156,977 1,981 22.178,982 10.063,983 5.822,985 167.101,986 15.048,987 12.342,989 4.887,990 1.385,991 5.179,992 1.785,993 54.032,994 536.594,995 47.5,1000 24.05,1004 -0.7,1007 53.956,1008 59.943,1009 0.312,1010 0.725,1011 0.865,1012 0.929,1013 0.929,1014 0.929,1015 5.101,1016 1.708,1017 5.922,1018 4.907,1019 4.575,1020 5.156,1021 2.472,1022 6.683,1023 4.481,1024 6.304,1025 1.631,1026 7.448,1027 4.581,1028 4.111,1029 4.89,1030 1.977,1031 7.455,1032 3.978,1033 7.598,1034 1.054,1035 9.069,1036 4.42,1037 6.125,1038 7.304,1039 3.348,1040 10.527,1041 5.932,1042 8.926,1043 1.008,1044 10.745,1045 2.795,1046 6.479,1047 7.881,1048 3.4,1049 12.15,1050 6.232,1051 10.283,1052 1,1053 12.458,1054 2.275,1055 7.938,1056 9.718,1057 4.398,1058 14.712,1059 7.639,1060 11.66,1061 0.768,1062 14.197,1063 2.211,1064 8.67,1065 10.695,1066 4.713,1067 16.705,1068 8.305,1069 13.054,1070 0.722,1071 15.957,1072 1.951,1073 9.907,1074 12.288,1075 5.535,1076 19.091,1077 9.49,1078 3.082,1079 0.618,1080 17.733,1081 1.712,1082 10.822,1083 13.468,1084 5.991,1085 21.25,1086 10.334,1087 2.841,1088 10.176,1089 19.521,1090 1.372,1091 11.967,1092 14.951,1093 6.722,1094 23.574,1095 11.425,1096 2.741,1097 9.032,1098 21.32,1099 4.157,1100 12.972,1101 16.235,1102 7.257,1103 25.808,1104 12.358,1105 2.495,1106 7.787,1107 23.128,1108 3.842,1109 14.081,1110 17.669,1111 7.942,1112 28.114,1113 13.409,1114 2.3,1115 7.304,1116 24.944,1117 3.72,1118 15.131,1119 19.007,1120 8.521,1121 30.384,1122 14.389,1123 2.161,1124 6.083,1125 26.766,1126 3.247,1127 16.229,1128 20.42,1129 9.182,1130 32.686,1131 15.425,1132 1.833,1133 5.911,1134 28.593,1135 2.88,1136 17.304,1137 21.788,1138 9.787,1139 34.974,1140 16.429,1141 16391,1142 28958,1143 23.463,1144 36.381,1145 52.945,1146 53.393,1147 53,1148 51.907,1149 51.922,1150 69.496,1151 7.919,1152 145.034,1153 49.558,1154 5.397,1155 5.598,1156 6.099,1157 5.151,1158 5.082,1159 7.157,1160 3.306,1161 16.942,1162 4.89,1163 15.384,1164 1.513,1165 1.526,1166 1.514,1167 1.483,1168 1.483,1169 1.986,1170 0.226,1171 4.144,1172 1.416,1173 4.045,1174 4.082,1175 4.263,1176 3.989,1177 7.433,1178 3.963,1179 3.901,1180 3.934,1181 3.926,1182 3.746,1183 7.427,1184 3.732,1185 3.86,1186 3.898,1187 3.86,1188 3.686,1189 5.221,1190 3.72,1191 3.689,1192 3.74,1193 3.615,1194 3.532,1195 5.009,1196 3.532,1197 3.611,1198 3.654,1199 3.564,1200 3.453,1201 4.842,1202 3.463,1203 3.39,1204 3.434,1205 3.34,1206 3.099,1207 4.568,1208 3.15,1209 3.103,1210 3.201,1211 3.003,1212 2.899,1213 4.16,1214 2.868,1215 2.985,1216 3.067,1217 2.886,1218 2.814,1219 3.951,1220 2.781,1221 0.127,1222 0.103,1223 0.186,1224 0.115,1225 0.088,1226 4.451,1227 0.119,1228 3.598,1229 0.054,1230 6.503,1231 0.291,1232 4.014,1233 0.083,1234 3.082,1235 4.157,1236 1.907,1237 10.176,1238 2.89,1239 1.928,1240 1.905,1241 2.012,1242 2.016,1243 1.146,1244 2.018,1245 1.666,1246 1.615,1247 1.856,1248 1.906,1249 1.094,1250 1.889,1251 1.545,1252 1.5,1253 1.76,1254 1.749,1255 0.846,1256 1.742,1257 1.519,1258 1.476,1259 1.717,1260 1.707,1261 0.817,1262 1.704,1263 1.44,1264 1.389,1265 1.632,1266 1.66,1267 0.661,1268 1.631,1269 1.384,1270 1.354,1271 1.474,1272 1.578,1273 0.506,1274 1.595,1275 1.237,1276 1.177,1277 1.359,1278 1.518,1279 0.45,1280 1.489,1281 1.169,1282 1.094,1283 1.331,1284 1.46,1285 0.329,1286 1.437,1287 4.263,1289 5.572,1290 3.434,1291 7.038,1292 5.687,1293 8.578,1294 7.662,1295 10.162,1297 3.628,1303 0.269,1305 7.961,1314 35.169,1315 94.696,1316 220.096,1317 262.56,1318 282.07,1319 282.07,1320 282.07,1321 55.418,1322 7.637,1323 126.97,1324 155.21,1325 21,1326 12.515,1327 4.585,1328 3.755,1329 52.355,1330 172,1331 168,1332 0.143,1333 221.114,1334 371.66,1335 531.279,1336 25157,1338 22.501,1339 0.703,1340 0.571,1341 22.855,1342 18.271,1343 15.474,1344 0.442,1345 0.304,1346 9.734,1347 14.273,1348 9.422,1349 7.843,1350 15.883,1351 10.653,1352 14.095,1353 0.294,1354 0.165,1355 14.737,1356 7.932,1357 11.199,1358 0.187,1359 0.093,1360 12.036,1361 5.571,1362 9.464,1363 0.123,1364 0.051,1365 10.405,1366 3.933,1367 6.287,1368 0.079,1369 0.028,1370 7.007,1371 2.274,1372 0.236,1373 102.154,1374 0.206,1375 31.042,1376 0.361,1377 166,1378 557.646,1379 214.722,1380 555.016,1381 756.87,1382 518,1383 191,1384 555.219,1385 235.294,1386 567.087,1387 818.7,1388 533,1389 5.1}
{0 CHEMBL1986666,1 1.715,2 10.462,3 3.473,4 12.063,5 95.942,6 8.907,7 0.759,8 3.827,9 3.943,10 3.532,11 3.336,12 5.124,13 3.376,14 4.255,15 4.391,16 3.884,17 3.699,18 5.654,19 3.716,20 4.436,21 4.615,22 3.849,23 3.753,24 5.641,25 3.749,26 4.463,27 4.659,28 3.799,29 3.654,30 5.756,31 3.648,32 4.419,33 4.64,34 3.681,35 3.541,36 5.67,37 3.554,38 4.244,39 4.435,40 3.679,41 3.481,42 5.633,43 3.496,44 4.182,45 4.383,46 3.579,47 3.404,48 5.438,49 3.418,50 4.108,51 4.318,52 3.416,53 3.29,54 5.446,55 3.279,56 0.164,57 0.673,58 5.493,59 2.702,60 11.633,61 2.801,62 0.369,63 1.015,64 8.993,65 4.46,66 37.165,67 5.009,68 0.333,69 1.116,70 13.392,71 5.389,72 28.433,73 6.422,74 0.503,75 1.079,76 15.24,77 5.489,78 34.15,79 6.677,80 0.548,81 0.988,82 17.132,83 4.833,84 59.228,85 5.654,86 0.481,87 0.894,88 12.196,89 3.965,90 47.136,91 4.846,92 0.315,93 0.848,94 11.318,95 3.81,96 22.631,97 4.656,98 0.474,99 0.734,100 11.58,101 3.574,102 43.175,103 4.413,104 6,105 40,106 0.298,107 0.635,108 0.777,109 0.874,110 0.91,111 0.918,112 3.304,113 0.794,114 -4.22,115 -4.16,116 -3.93,119 43.6,142 7,143 2,144 2,146 1,148 1,150 2,151 1,158 1,167 1,168 1,170 1,172 6,173 1,174 3,175 3,178 5,180 6,183 7,184 1,188 2,193 6,194 1,196 3,197 2,200 11,203 4,204 2,205 5,209 1,213 7,214 2,217 1,218 1,224 4,225 8,228 2,230 4,238 3,239 1,241 2,243 3,244 1,249 2,250 2,253 3,254 1,255 2,258 4,267 1,268 1,272 6,273 2,276 954,277 17.809,278 17.809,279 17.809,280 17.809,281 17.809,282 15.053,283 21.251,284 10.618,285 18.198,286 14.366,287 14.366,288 14.366,289 14.366,290 14.366,291 10.283,292 40.027,293 5.068,294 15.012,295 3.57,296 1.633,297 0.812,298 0.256,299 0.051,301 4.005,304 1,305 1,306 1,307 598,308 2.915,311 62.342,312 233.196,315 106.35,319 1.734,320 26.685,322 1,323 1,324 0.83,325 1,326 0.4,328 1,329 1,330 0.75,331 57.5,332 272,333 4.428,334 3.608,335 6.417,336 3.968,337 2.988,338 4.367,339 1.437,340 9.816,341 2.931,342 4.337,343 3.006,344 6.196,345 3.927,346 2.948,347 3.95,348 0.4,349 9.272,350 2.886,351 4.065,352 2.879,353 5.668,354 3.598,355 2.68,356 3.661,357 0.4,358 7.932,359 2.454,360 3.654,361 2.662,362 5.314,363 3.253,364 2.308,365 3.057,367 6.841,368 2.178,369 3.387,370 2.338,371 4.947,372 2.959,373 1.99,374 2.634,376 5.672,377 1.917,378 3.215,379 1.962,380 4.679,381 2.74,382 1.786,383 2.473,385 4.816,386 1.69,387 3.034,388 1.534,389 4.361,390 2.515,391 1.534,392 2.301,394 4.202,395 1.502,396 2.863,397 1.468,398 3.724,399 2.392,400 1.416,401 2.018,403 3.134,404 1.38,405 2.661,406 1.311,407 3.497,408 2.099,409 1.186,410 1.736,412 2.622,413 1.083,414 2.581,415 1.206,416 3.466,417 2.042,418 1.092,419 1.621,421 2.436,422 1.034,423 2.532,424 1.102,425 3.445,426 2.005,427 1,428 1.475,430 2.304,431 0.994,432 1.956,433 0.525,434 3.089,435 1.463,436 0.488,437 0.707,439 1.184,440 0.475,441 1.372,442 0.472,443 2.912,444 1.009,445 0.069,446 0.086,448 0.179,449 0.064,450 1.258,451 0.221,452 2.82,453 0.874,454 -0.052,455 -0.066,457 -0.143,458 -0.048,459 0.835,460 0.075,461 2.286,462 0.37,463 -0.584,464 -0.764,466 -1.425,467 -0.548,468 11.967,469 0.46,470 0.571,471 0.022,472 40.5,473 1.558,474 22.5,475 0.865,476 18,477 0.692,478 14.924,479 0.574,480 26.433,481 0.678,482 28.963,483 1.114,484 8.249,485 0.317,486 4.437,487 0.171,488 0.056,490 0.334,496 0.928,497 1.223,498 0.684,499 0.888,500 0.781,501 0.75,502 0.502,503 0.932,504 0.764,505 0.984,506 0.421,507 0.947,508 0.93,509 1.314,510 0.974,511 1.174,512 0.769,513 1.093,514 0.937,515 1.091,516 1.045,517 1.147,518 0.925,519 1.131,520 1.494,521 0.968,522 1.096,523 0.766,524 1.454,525 0.808,526 0.885,527 0.997,528 0.938,529 0.85,530 0.829,531 0.888,532 1.001,533 1.204,534 0.958,535 1.062,536 0.784,537 0.99,538 0.936,539 0.736,540 1.091,541 0.787,542 0.981,543 0.93,544 5,545 0.104,546 2.222,547 1.757,548 1.053,549 0.622,550 0.409,551 0.306,552 0.201,553 0.111,554 8730,555 28030,556 2.148,557 33.3,559 7,560 1,561 1,562 4,567 1.688,568 2.053,569 3.384,570 1.811,572 1,574 1,577 66.887,578 1.715,579 3.652,580 4.474,581 5.029,582 5.234,583 5.285,584 2.749,585 3.95,586 4.676,587 3.574,588 1161.64,589 8.087,590 14791.2,591 1,592 1,593 1,594 1,595 206.131,596 1.239,597 4.65,598 0.172,599 0.006,600 0.056,601 0.046,602 0.031,603 0.02,604 0.013,605 0.011,606 0.009,607 0.006,608 0.37,609 0.17,610 1,611 0.646,612 128.173,613 -0.157,614 -0.084,615 -0.002,616 0.047,617 -0.153,618 0.06,619 0.269,620 0.191,621 -0.026,622 -0.051,623 0.225,624 -0.108,625 -0.147,626 -0.299,627 -0.089,628 -0.203,629 -0.068,630 -0.142,631 0.052,632 -0.109,633 -0.066,634 -0.197,635 0.02,636 -0.174,637 -0.333,638 -0.021,639 -0.019,640 0.176,641 -0.25,642 0.168,643 0.127,644 0.033,645 0.012,646 0.065,647 0.116,648 0.019,649 -0.112,650 -0.183,651 -0.003,652 -0.139,653 -0.033,654 -0.055,655 0.139,656 0.254,657 -0.07,658 0.144,659 0.056,660 0.02,661 2.701,662 4.291,663 0.808,664 22.515,665 1.026,666 1.132,667 2.985,668 8.912,669 0.698,670 3.401,671 3.714,672 3.97,673 4.234,674 4.394,675 4.419,676 4.522,677 4.654,678 4.654,679 4.771,680 6.523,681 0.696,682 347.37,683 3.401,684 4.934,685 5.778,686 6.648,687 7.503,688 8.375,689 9.233,690 10.106,691 10.965,692 11.838,693 17.9,701 3,703 4,707 1,708 2,709 9,710 4,711 1,714 5,716 22,725 1,728 2,735 39,737 23,738 2,739 29,741 42,742 17,743 16,744 5,745 7,746 1,748 4,749 5,762 17,767 1,772 1,776 1,779 1,780 1,783 13,784 8,785 4,786 9,792 7,797 0.75,798 2,807 1,815 1,816 3,819 1,841 1,843 3,851 26,857 1,860 2,874 5.1,876 1,877 1,881 12.667,882 6.917,883 5.667,884 2.074,886 4.4,887 1.585,888 1.013,889 4.273,890 11.922,891 3.738,892 4.373,893 4.969,894 5.572,895 6.059,896 6.286,897 6.678,898 7.107,899 7.284,900 7.712,901 0.857,902 38,903 9.508,905 4.08,906 7.955,907 17.554,909 14.068,911 2.455,912 63.833,916 105.94,917 102.124,918 119.704,920 67.828,923 102.124,924 173.768,925 119.704,928 75.381,929 147.529,930 74.719,931 15.569,932 82.398,934 105.94,935 221.828,936 67.828,939 105.94,940 67.828,943 67.245,944 87.563,945 67.02,947 105.94,948 187.532,949 102.124,952 105.94,953 18.124,954 84,955 52.685,956 134.848,957 105.94,958 187.532,959 102.124,961 0.578,962 0.334,963 0.186,964 0.095,965 20,966 8,967 0.119,968 5,969 1,970 1.095,971 3.909,972 217.337,973 0.095,974 21,975 122.211,981 16.148,982 6.881,983 3.545,984 1.816,985 170.869,986 15.351,987 16.519,988 2.803,991 1.858,993 95.368,994 395.596,995 41,1000 11.291,1004 -1.034,1007 40.018,1008 44.153,1009 0.324,1010 0.691,1011 0.846,1012 0.951,1013 0.99,1014 1,1015 4.945,1016 1.416,1017 5.746,1018 4.202,1019 4.394,1020 5.059,1021 1.752,1022 6.524,1023 4.312,1024 6.16,1025 1.186,1026 7.279,1027 3.134,1028 3.892,1029 4.796,1031 7.326,1032 3.778,1033 7.461,1034 1.092,1035 8.908,1036 2.622,1037 5.953,1038 7.293,1039 2.264,1040 10.408,1041 5.797,1042 8.799,1043 1,1044 10.596,1045 2.436,1046 6.275,1047 7.872,1049 12.043,1050 6.098,1051 10.166,1052 0.488,1053 12.321,1054 2.304,1055 7.782,1056 9.806,1057 2.923,1058 14.606,1059 7.569,1060 11.556,1061 0.069,1062 14.072,1063 1.184,1064 8.494,1065 10.802,1067 16.59,1068 8.267,1069 12.963,1070 -0.052,1071 15.842,1072 0.179,1073 9.762,1074 12.482,1075 3.619,1076 18.965,1077 9.504,1078 2.988,1079 -0.584,1080 17.626,1081 -0.143,1082 10.664,1083 13.695,1085 21.102,1086 10.395,1087 2.948,1088 9.816,1089 19.42,1090 -1.425,1091 11.824,1092 15.253,1093 4.33,1094 23.405,1095 11.531,1096 2.68,1097 9.272,1098 21.223,1099 4.367,1100 12.819,1101 16.58,1103 25.61,1104 12.512,1105 2.308,1106 7.932,1107 23.033,1108 3.95,1109 13.932,1110 18.08,1111 5.047,1112 27.887,1113 13.606,1114 1.99,1115 6.841,1116 24.849,1117 3.661,1118 14.971,1119 19.467,1121 30.123,1122 14.631,1123 1.786,1124 5.672,1125 26.669,1126 3.057,1127 16.064,1128 20.942,1129 5.769,1130 32.391,1131 15.706,1132 1.534,1133 4.816,1134 28.493,1135 2.634,1136 17.125,1137 22.362,1139 34.643,1140 16.752,1141 8162,1142 14773,1143 19.879,1144 27.233,1145 43.496,1146 43.891,1147 43.827,1148 43.015,1149 42.97,1150 60.172,1151 4.473,1152 120.82,1153 41.171,1154 5.231,1155 5.608,1156 6.099,1157 5.068,1158 4.988,1159 7.367,1160 2.873,1161 16.379,1162 4.931,1163 9.412,1164 1.5,1165 1.513,1166 1.511,1167 1.483,1168 1.482,1169 2.075,1170 0.154,1171 4.166,1172 1.42,1173 4.094,1174 4.138,1175 4.056,1176 3.983,1177 7.475,1178 3.995,1179 3.948,1180 3.983,1181 3.906,1182 3.859,1183 6.351,1184 3.863,1185 3.76,1186 3.823,1187 3.732,1188 3.515,1189 5.137,1190 3.566,1191 3.406,1192 3.482,1193 3.333,1194 3.195,1195 5.064,1196 3.22,1197 3.279,1198 3.267,1199 3.226,1200 3.023,1201 4.705,1202 3.066,1203 3.046,1204 3.131,1205 2.955,1206 2.831,1207 4.431,1208 2.847,1209 2.933,1210 3.008,1211 2.82,1212 2.786,1213 4.097,1214 2.784,1215 2.761,1216 2.846,1217 2.653,1218 2.516,1219 4.001,1220 2.545,1221 0.153,1222 0.124,1223 0.221,1224 0.137,1225 0.103,1226 4.428,1227 0.151,1228 3.608,1229 0.05,1230 6.417,1231 0.338,1232 3.968,1233 0.101,1234 2.988,1235 4.367,1236 1.437,1237 9.816,1238 2.931,1239 1.929,1240 1.904,1241 2.011,1242 2.048,1243 1.135,1244 2.032,1245 1.905,1246 1.882,1247 2,1248 1.996,1249 1.089,1250 1.998,1251 1.617,1252 1.552,1253 1.681,1254 1.855,1255 0.57,1256 1.819,1257 1.359,1258 1.275,1259 1.519,1260 1.698,1261 0.456,1262 1.65,1263 1.124,1264 1.122,1265 1.255,1266 1.429,1267 0.235,1268 1.361,1269 1.03,1270 0.965,1271 1.202,1272 1.303,1273 0.225,1274 1.274,1275 0.938,1276 0.874,1277 1.135,1278 1.171,1279 0.189,1280 1.164,1281 0.793,1282 0.711,1283 1.076,1284 1.013,1285 0.053,1286 1.046,1287 4.078,1289 5.389,1290 2.398,1291 6.891,1292 4.595,1293 8.479,1294 6.581,1295 10.11,1302 9.248,1305 5.982,1314 27.16,1315 66.887,1316 142.44,1317 174.479,1318 196.131,1319 204.131,1320 206.131,1321 34.999,1322 7.522,1323 128.71,1324 128.71,1325 23,1326 12.381,1327 4.585,1328 3.7,1329 38.143,1330 104,1331 82,1332 0.18,1333 167.618,1334 275.16,1335 400.748,1336 20658,1338 17.933,1339 0.69,1340 0.513,1341 17.933,1342 13.34,1343 12.687,1344 0.437,1345 0.265,1346 7.537,1347 12.087,1348 7.444,1349 6.18,1350 12.687,1351 7.679,1352 11.453,1353 0.286,1354 0.135,1355 11.453,1356 5.392,1357 9.417,1358 0.181,1359 0.071,1360 9.417,1361 3.667,1362 8.151,1363 0.12,1364 0.036,1365 8.151,1366 2.457,1367 6.25,1368 0.078,1369 0.019,1370 6.25,1371 1.528,1372 0.285,1373 80.362,1374 0.224,1375 25.286,1376 0.484,1377 138,1378 459.464,1379 155.528,1380 448.63,1381 614.69,1382 418,1383 161,1384 462.09,1385 177.395,1386 466.207,1387 677.11,1388 438,1389 6.3}
{0 CHEMBL1986781,1 1.703,2 12.194,3 2.847,4 8.107,5 113.137,6 8.086,7 0.6,8 4.088,9 4.204,10 3.73,11 3.591,12 5.236,13 3.607,14 4.634,15 4.803,16 4.121,17 3.991,18 5.79,19 3.989,20 4.871,21 5.085,22 4.114,23 4.107,24 5.946,25 4.075,26 4.887,27 5.109,28 4.067,29 4.097,30 5.949,31 4.048,32 4.899,33 5.134,34 4.095,35 4.091,36 5.94,37 4.048,38 4.825,39 5.037,40 4.076,41 4.049,42 5.956,43 4.012,44 4.755,45 4.967,46 3.94,47 3.96,48 5.836,49 3.903,50 4.689,51 4.928,52 3.851,53 3.835,54 5.861,55 3.777,56 0.095,57 0.901,58 9.153,59 4.296,60 9.259,61 5.291,62 0.454,63 1.446,64 18.854,65 7.22,66 28.029,67 9.324,68 0.57,69 1.701,70 27.403,71 9.132,72 59.732,73 11.994,74 0.575,75 1.664,76 28.142,77 9.423,78 65.416,79 12.668,80 0.623,81 1.615,82 29.52,83 9.278,84 62.691,85 13.029,86 0.634,87 1.586,88 25.864,89 8.65,90 54.817,91 11.615,92 0.537,93 1.486,94 24.182,95 8.528,96 40.619,97 11.492,98 0.652,99 1.383,100 24.242,101 7.78,102 62.981,103 10.952,104 11,105 50,106 0.28,107 0.655,108 0.81,109 0.834,110 0.834,111 0.834,112 3.472,113 0.87,114 -4.24,115 -4.18,116 -3.95,119 42.3,120 1,121 2,125 2,127 1,142 5,143 1,144 1,145 1,146 2,150 1,151 2,152 1,158 1,162 1,172 4,174 5,175 7,178 2,180 2,183 5,187 1,188 4,196 2,199 1,200 13,203 1,205 1,208 3,212 2,213 7,216 1,221 2,224 3,225 5,228 2,230 2,233 4,237 1,238 4,241 1,243 2,249 2,250 7,255 2,258 2,263 1,264 2,272 4,276 1701,277 21.17,278 21.17,279 21.17,280 21.17,281 21.17,282 18.587,283 18.58,284 12.368,285 21.646,286 17.303,287 17.303,288 17.303,289 17.303,290 17.303,291 13.409,292 30.45,293 5.896,294 18.14,295 3.997,296 1.719,297 0.776,298 0.63,299 0.63,300 0.63,301 4.181,305 1,306 1,307 837,308 3,311 140.707,312 274.22,314 114.852,319 1.761,320 34.968,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 68.5,332 378,333 4.736,334 3.668,335 7.02,336 4.276,337 3.325,338 4.679,339 1.94,340 12.057,341 3.167,342 4.067,343 3.328,344 5.998,345 3.761,346 2.81,347 3.711,348 0.555,349 8.454,350 2.671,351 4.062,352 2.912,353 5.933,354 3.627,355 2.666,356 3.667,357 0.4,358 8.299,359 2.57,360 3.905,361 2.852,362 5.803,363 3.575,364 2.631,365 3.085,367 8.064,368 2.469,369 3.666,370 2.529,371 5.496,372 3.336,373 2.37,374 3.041,376 7.24,377 2.287,378 3.51,379 2.49,380 5.073,381 3.164,382 2.219,383 2.775,385 6.106,386 2.078,387 3.265,388 2.238,389 4.992,390 2.936,391 1.987,392 2.373,394 5.844,395 1.873,396 2.903,397 1.948,398 4.531,399 2.408,400 1.436,401 2.096,403 4.222,404 1.391,405 2.881,406 1.482,407 4.402,408 2.353,409 1.414,410 2.035,412 3.959,413 1.322,414 2.626,415 1.43,416 3.779,417 2.226,418 1.23,419 1.683,421 2.932,422 1.211,423 2.5,424 1.144,425 3.506,426 2.068,427 1.13,428 1.5,430 2.575,431 1.057,432 2.494,433 1.077,434 3.438,435 2,436 1,437 1.419,439 2.275,440 1,441 2.436,442 1,443 3.414,444 1.984,445 1,446 1.405,448 2.275,449 0.983,450 2,451 0.985,452 3.414,453 1.92,454 0.951,455 1,457 2.253,458 0.918,459 1.698,460 0.445,461 3.25,462 1.191,463 0.241,464 0.345,466 0.68,467 0.228,468 14.352,469 0.463,470 0.763,471 0.025,472 42,473 1.355,474 20,475 0.645,476 22,477 0.71,478 25.083,479 0.809,480 33.048,481 0.636,482 32.193,483 1.038,484 8.251,485 0.266,486 6.83,487 0.22,488 0.078,490 0.369,494 1,496 0.722,497 1.349,498 0.677,499 1.149,500 0.534,501 0.947,502 0.68,503 1.014,504 0.78,505 0.968,506 0.516,507 0.91,508 1.06,509 1.009,510 0.99,511 0.916,512 0.98,513 0.921,514 0.948,515 0.983,516 1.017,517 0.991,518 0.985,519 1.006,520 0.805,521 0.8,522 0.858,523 0.806,524 0.713,525 0.824,526 0.839,527 0.834,528 0.968,529 0.939,530 0.585,531 0.97,532 0.832,533 1.085,534 1.012,535 1.135,536 0.725,537 1.126,538 0.703,539 1.01,540 0.897,541 0.976,542 0.62,543 0.975,544 6,545 0.119,546 3.333,547 2.069,548 1.722,549 0.935,550 0.564,551 0.602,552 0.343,553 0.226,554 13425,555 39322,556 2.16,557 40.4,559 10,560 2,561 1,562 1,563 3,565 4,567 1.738,568 2.044,569 3.531,570 -0.297,571 1,572 1,577 88.567,578 1.703,579 3.982,580 4.924,581 5.071,582 5.071,583 5.071,584 3.017,585 4.478,586 4.921,587 3.712,588 1725.85,589 8.609,590 24269.1,592 1,594 1,595 296.423,596 1.332,597 4.896,598 0.171,599 0.005,600 0.067,601 0.042,602 0.037,603 0.019,604 0.012,605 0.015,606 0.01,607 0.007,608 0.387,609 0.17,610 0.88,611 0.646,612 160.608,613 -0.054,614 -0.277,615 0.063,616 -0.132,617 -0.022,618 -0.031,619 0.126,620 0.008,621 0.071,622 -0.006,623 0.094,624 0.006,625 -0.156,626 -0.019,627 -0.045,628 0.047,629 -0.077,630 0.038,631 -0.112,632 -0.048,633 -0.069,634 -0.03,635 -0.113,636 -0.036,637 -0.036,638 0.042,639 0.108,640 0.135,641 -0.048,642 0.156,643 0.014,644 0.089,645 -0.033,646 0.005,647 0.023,648 -0.022,649 0.033,650 -0.145,651 -0.068,652 -0.154,653 -0.029,654 -0.145,655 0.199,656 -0.039,657 0.102,658 -0.009,659 0.216,660 0.018,661 1.975,662 5.42,663 0.839,664 31.777,665 1.016,666 1.136,667 3.014,668 9.083,669 0.673,670 3.584,671 3.932,672 4.234,673 4.543,674 4.796,675 4.949,676 5.118,677 5.252,678 5.366,679 5.429,680 7.015,681 0.657,682 420.49,683 3.584,684 5.142,685 6.009,686 6.903,687 7.791,688 8.694,689 9.592,690 10.501,691 11.406,692 12.319,693 11.5,698 1,700 1,701 1,703 3,708 1,709 8,710 3,712 1,714 6,716 21,728 1,734 1,735 52,737 22,738 1,739 35,741 56,742 22,743 15,744 2,745 4,748 5,749 6,754 1,757 3,760 3,762 16,763 6,767 1,772 1,776 1,780 1,781 1,783 21,784 8,785 1,786 9,789 1,792 6,797 0.8,798 2,802 1,810 1,815 2,816 3,818 1,830 1,843 4,847 1,849 1,851 31,858 4,860 1,863 1,864 1,873 1,874 3.8,877 1,879 1,881 15.167,882 9.726,883 6.667,884 3.186,886 4.182,887 1.507,888 1.018,889 5.264,890 12.427,891 3.861,892 4.489,893 5.107,894 5.76,895 6.312,896 6.762,897 7.276,898 7.696,899 8.136,900 8.454,901 1,902 49,903 11.467,905 5,906 7.844,907 21.738,909 18.172,911 2.344,912 72.667,915 1,916 235.422,917 126.48,918 72.778,920 34.652,921 14.96,923 126.48,924 270.074,925 87.738,926 8.825,927 12.405,928 68.168,929 109.988,930 41.64,931 43.158,932 200.109,934 235.422,935 199.259,936 49.612,939 203.298,940 81.737,943 42.955,944 87.936,945 68.367,947 250.382,948 107.43,949 126.48,952 235.422,953 40.44,954 90.452,955 18.011,956 99.969,957 235.422,958 122.391,959 126.48,961 0.587,962 0.342,963 0.186,964 0.104,965 26,966 11,967 0.071,968 4,969 1,970 1.077,971 4.249,972 293.239,973 0.077,974 26,975 145.58,981 19.86,982 8.217,983 3.967,984 0.43,985 121.104,986 13.02,987 13.666,989 5.474,991 3.04,993 18.011,994 484.293,995 46.5,1000 11.536,1004 0.106,1007 52.847,1008 59.07,1009 0.299,1010 0.698,1011 0.864,1012 0.889,1013 0.889,1014 0.889,1015 5.107,1016 1.436,1017 5.999,1018 5.844,1019 4.615,1020 5.176,1021 2.08,1022 6.83,1023 4.522,1024 6.319,1025 1.414,1026 7.566,1027 4.222,1028 4.205,1029 4.987,1030 1.668,1031 7.763,1032 4.048,1033 7.631,1034 1.23,1035 9.232,1036 3.959,1037 6.225,1038 7.402,1039 2.97,1040 10.893,1041 6.033,1042 8.979,1043 1.13,1044 10.959,1045 2.932,1046 6.648,1047 8.094,1048 3.13,1049 12.715,1050 6.393,1051 10.362,1052 1,1053 12.726,1054 2.575,1055 8.13,1056 9.97,1057 4.132,1058 15.379,1059 7.841,1060 11.772,1061 1,1062 14.522,1063 2.275,1064 8.94,1065 11.091,1066 4.539,1067 17.589,1068 8.591,1069 13.202,1070 0.951,1071 16.342,1072 2.275,1073 10.215,1074 12.753,1075 5.382,1076 20.117,1077 9.828,1078 3.325,1079 0.241,1080 18.181,1081 2.253,1082 11.214,1083 14.089,1084 5.912,1085 22.493,1086 10.77,1087 2.81,1088 12.057,1089 20.035,1090 0.68,1091 12.413,1092 15.667,1093 6.67,1094 24.986,1095 11.928,1096 2.666,1097 8.454,1098 21.902,1099 4.679,1100 13.506,1101 17.108,1102 7.263,1103 27.43,1104 12.967,1105 2.631,1106 8.299,1107 23.782,1108 3.711,1109 14.683,1110 18.655,1111 7.976,1112 29.916,1113 14.099,1114 2.37,1115 8.064,1116 25.671,1117 3.667,1118 15.823,1119 20.147,1120 8.602,1121 32.387,1122 15.188,1123 2.219,1124 7.24,1125 27.568,1126 3.085,1127 16.999,1128 21.685,1129 9.292,1130 34.874,1131 16.317,1132 1.987,1133 6.106,1134 29.473,1135 3.041,1136 18.163,1137 23.202,1138 9.936,1139 37.356,1140 17.431,1141 12527,1142 21621,1143 23.868,1144 34.972,1145 53.641,1146 53.801,1147 54.406,1148 53.045,1149 52.961,1150 69.779,1151 5.792,1152 154.83,1153 50.58,1154 5.736,1155 5.668,1156 6.567,1157 5.351,1158 5.325,1159 7.679,1160 3.348,1161 19.41,1162 5.167,1163 13.421,1164 1.533,1165 1.537,1166 1.554,1167 1.516,1168 1.513,1169 1.994,1170 0.165,1171 4.424,1172 1.445,1173 4.17,1174 4.205,1175 4.154,1176 3.997,1177 8.201,1178 4.028,1179 3.899,1180 3.962,1181 3.815,1182 3.754,1183 7.428,1184 3.764,1185 3.854,1186 3.882,1187 3.805,1188 3.714,1189 5.266,1190 3.727,1191 3.745,1192 3.798,1193 3.687,1194 3.554,1195 4.975,1196 3.583,1197 3.461,1198 3.512,1199 3.348,1200 3.25,1201 4.646,1202 3.265,1203 3.199,1204 3.235,1205 3.152,1206 3.045,1207 4.323,1208 3.064,1209 3.111,1210 3.206,1211 2.892,1212 2.941,1213 4.233,1214 2.91,1215 3.042,1216 3.136,1217 2.866,1218 2.804,1219 3.947,1220 2.815,1221 0.135,1222 0.105,1223 0.201,1224 0.122,1225 0.095,1226 4.736,1227 0.134,1228 3.668,1229 0.055,1230 7.02,1231 0.344,1232 4.276,1233 0.09,1234 3.325,1235 4.679,1236 1.94,1237 12.057,1238 3.167,1239 1.921,1240 1.896,1241 2.04,1242 2.06,1243 1.395,1244 2.054,1245 1.848,1246 1.792,1247 2,1248 2.001,1249 1.11,1250 2.002,1251 1.754,1252 1.709,1253 1.847,1254 1.923,1255 0.911,1256 1.906,1257 1.478,1258 1.42,1259 1.686,1260 1.721,1261 0.825,1262 1.69,1263 1.403,1264 1.347,1265 1.595,1266 1.645,1267 0.753,1268 1.639,1269 1.313,1270 1.298,1271 1.513,1272 1.626,1273 0.634,1274 1.558,1275 1.153,1276 1.097,1277 1.352,1278 1.376,1279 0.523,1280 1.429,1281 1.128,1282 1.064,1283 1.315,1284 1.328,1285 0.32,1286 1.329,1287 4.263,1289 5.602,1290 3.045,1291 7.128,1292 5.416,1293 8.741,1294 7.535,1295 10.403,1297 1.598,1299 13.42,1303 3.124,1305 3.388,1308 0.196,1309 1.854,1314 34.156,1315 88.567,1316 207.039,1317 256.058,1318 263.668,1319 263.668,1320 263.668,1321 50.396,1322 8.245,1323 88.56,1324 88.56,1325 28,1326 12.834,1327 4.524,1328 3.644,1329 43.596,1330 127,1331 145,1332 0.164,1333 205.517,1334 347.01,1335 493.223,1336 47966,1337 1.9,1338 21.372,1339 0.689,1340 0.547,1341 20.501,1342 16.955,1343 15.081,1344 0.431,1345 0.29,1346 9.967,1347 14.315,1348 9.801,1349 8.055,1350 14.687,1351 10.153,1352 13.905,1353 0.278,1354 0.151,1355 13.283,1356 7.562,1357 11.816,1358 0.174,1359 0.082,1360 11.405,1361 5.551,1362 10.067,1363 0.108,1364 0.042,1365 9.916,1366 3.921,1367 8.244,1368 0.069,1369 0.022,1370 8.015,1371 2.69,1372 0.257,1373 95.626,1374 0.205,1375 29.022,1376 0.452,1377 170,1378 570.141,1379 193.076,1380 520.097,1381 713.21,1382 488,1383 203,1384 536.094,1385 225.658,1386 529.373,1387 781.33,1388 500,1389 5.1}
{0 CHEMBL1986851,1 1.751,2 15.083,3 3.866,4 14.943,5 141.039,6 8.519,7 0.675,8 4.201,9 4.315,10 3.905,11 3.787,12 5.416,13 3.769,14 4.68,15 4.824,16 4.279,17 4.185,18 5.891,19 4.146,20 4.901,21 5.077,22 4.344,23 4.303,24 6.089,25 4.243,26 4.979,27 5.171,28 4.426,29 4.329,30 6.187,31 4.257,32 4.984,33 5.179,34 4.348,35 4.261,36 6.292,37 4.188,38 4.847,39 5.043,40 4.232,41 4.129,42 6.075,43 4.084,44 4.801,45 4.997,46 4.14,47 4.091,48 6.09,49 4.033,50 4.817,51 5.023,52 4.094,53 4.072,54 6.037,55 3.999,56 0.145,57 0.985,58 10.126,59 5.102,60 17.453,61 5.721,62 0.351,63 1.55,64 19.582,65 8.794,66 35.823,67 10.181,68 0.519,69 1.897,70 25.949,71 10.737,72 55.192,73 12.513,74 0.44,75 2.034,76 31.99,77 12.485,78 53.825,79 14.845,80 0.763,81 2.014,82 37.809,83 12.585,84 99.149,85 14.074,86 0.465,87 1.805,88 28.56,89 10.65,90 64.732,91 12.127,92 0.57,93 1.74,94 26.751,95 9.701,96 75.407,97 11.421,98 0.525,99 1.739,100 29.847,101 11.145,102 63.928,103 12.717,104 28,105 57,106 0.279,107 0.669,108 0.834,109 0.897,110 0.908,111 0.908,112 3.616,113 0.903,114 -4.46,115 -4.38,116 -4.13,119 44.1,120 1,125 2,142 7,143 6,144 3,145 2,147 1,151 2,152 1,159 1,163 1,164 1,165 1,166 1,172 11,175 4,177 1,178 3,179 1,180 4,183 15,185 1,188 4,191 1,193 5,196 11,198 1,200 5,203 1,205 9,208 6,210 3,212 2,213 10,218 9,221 4,223 3,225 6,230 6,233 5,235 1,238 3,240 2,241 2,243 2,246 7,250 5,253 2,254 1,255 4,257 1,258 8,264 3,269 3,272 8,276 2536,277 24.403,278 24.403,279 24.403,280 24.403,281 24.403,282 21.033,283 21.32,284 14.308,285 24.921,286 19.729,287 19.729,288 19.729,289 19.729,290 19.729,291 14.611,292 24.595,293 6.735,294 20.6,295 4.132,296 1.684,297 0.651,298 0.25,299 0.182,300 0.182,301 4.319,306 1,307 1184,308 3.606,311 178.161,312 352.246,315 157.983,319 2.481,320 41.304,323 0.75,324 0.83,325 0.83,326 0.5,328 0.67,329 0.5,330 0.58,331 78.5,332 543,333 4.75,334 3.575,335 7.014,336 4.287,337 3.319,338 4.727,339 1.656,340 11.986,341 3.21,342 4.306,343 3.337,344 6.367,345 3.912,346 2.939,347 3.964,348 0.247,349 9.726,350 2.863,351 4.163,352 3.115,353 6.085,354 3.76,355 2.796,356 3.786,358 8.814,359 2.689,360 4.062,361 2.869,362 5.72,363 3.654,364 2.677,365 3.66,367 7.748,368 2.61,369 3.797,370 2.733,371 5.569,372 3.408,373 2.444,374 3.23,376 7.546,377 2.348,378 3.601,379 2.516,380 5.381,381 3.22,382 2.249,383 2.939,385 6.792,386 2.174,387 3.516,388 2.303,389 5,390 3.117,391 2.157,392 2.807,394 5.941,395 2.063,396 3.273,397 2.142,398 4.94,399 2.801,400 1.873,401 2.569,403 5.356,404 1.764,405 3.167,406 1.931,407 4.619,408 2.737,409 1.776,410 2.367,412 4.882,413 1.654,414 2.867,415 1.873,416 4.467,417 2.429,418 1.463,419 2.009,421 4.134,422 1.408,423 2.814,424 1.607,425 4.112,426 2.355,427 1.395,428 1.933,430 3.573,431 1.324,432 2.658,433 1.318,434 4,435 2.179,436 1.181,437 1.729,439 2.945,440 1.177,441 2.557,442 1.24,443 3.604,444 2.036,445 1.085,446 1.582,448 2.586,449 1.021,450 2.304,451 1.089,452 3.479,453 1.915,454 1,455 1.235,457 2.155,458 0.905,459 2.156,460 0.855,461 3.284,462 1.641,463 0.776,464 1.022,466 1.742,467 0.658,468 17.186,469 0.477,470 0.921,471 0.026,472 50.25,473 1.396,474 27,475 0.75,476 23.25,477 0.646,478 29.702,479 0.825,480 37.414,481 0.634,482 41.719,483 1.159,484 9.988,485 0.277,486 7.435,487 0.207,488 0.108,490 0.372,494 1,496 0.774,497 0.98,498 0.717,499 0.818,500 0.713,501 0.788,502 0.691,503 0.957,504 0.823,505 0.888,506 0.615,507 0.853,508 0.964,509 0.97,510 0.924,511 0.883,512 0.935,513 0.953,514 0.87,515 1.195,516 0.942,517 1.104,518 0.841,519 1.005,520 1.053,521 1.054,522 1.314,523 1.207,524 1.031,525 1.026,526 1.203,527 1.267,528 0.916,529 1.03,530 1.279,531 0.959,532 1.048,533 1.018,534 1.045,535 1.021,536 1.084,537 1.014,538 1.183,539 1.214,540 1.12,541 1.168,542 1.223,543 1.077,544 7.5,545 0.173,546 4,547 2.688,548 2.34,549 1.39,550 0.956,551 0.562,552 0.48,553 0.379,554 21204,555 62474,556 2.103,557 39,558 3,559 11,560 2,561 2,562 5,567 1.772,568 1.964,569 3.839,570 2.272,577 103.313,578 1.751,579 4.199,580 5.232,581 5.633,582 5.7,583 5.7,584 3.388,585 5.059,586 5.135,587 4.026,588 2536.38,589 9.016,590 41130.1,595 347.076,596 1.426,597 5.099,598 0.188,599 0.006,600 0.07,601 0.046,602 0.04,603 0.026,604 0.019,605 0.012,606 0.011,607 0.01,608 0.427,610 0.75,611 0.826,612 198.4,613 -0.083,614 0.05,615 0.027,616 0.107,617 -0.114,618 0.079,619 0.05,620 0.05,621 0.035,622 0.084,623 0.031,624 0.063,625 -0.075,626 0.054,627 -0.043,628 0.068,629 -0.091,630 -0.02,631 -0.001,632 -0.172,633 0.096,634 -0.057,635 0.018,636 -0.017,637 0.028,638 -0.011,639 -0.104,640 -0.092,641 0.08,642 -0.05,643 -0.108,644 -0.199,645 0.052,646 -0.052,647 -0.106,648 0.004,649 0.002,650 0.047,651 -0.082,652 -0.054,653 0.005,654 -0.068,655 -0.027,656 -0.074,657 -0.068,658 -0.125,659 -0.049,660 -0.078,661 2.237,662 7.008,663 0.722,664 47.963,665 1.014,666 1.126,667 3.225,668 10.402,669 0.701,670 3.714,671 4.06,672 4.357,673 4.673,674 4.883,675 5.024,676 5.187,677 5.375,678 5.497,679 5.602,680 8.525,681 0.676,682 502.62,683 3.714,684 5.273,685 6.138,686 7.034,687 7.918,688 8.822,689 9.715,690 10.623,691 11.524,692 12.435,693 10.2,697 1,700 2,701 1,703 2,708 2,709 11,710 2,713 1,714 9,715 1,716 27,727 1,734 1,735 59,737 28,738 2,739 40,741 63,742 26,743 22,744 5,745 7,748 5,749 6,753 1,754 2,762 23,763 3,767 1,772 1,776 1,781 1,783 23,784 8,785 5,786 10,787 1,792 6,797 0.8,798 2,799 1,807 1,809 1,815 2,816 3,819 1,841 1,843 4,845 1,847 1,849 1,851 36,852 1,857 1,858 2,860 2,869 1,873 1,874 3.4,875 1,877 1,881 18.333,882 10.776,883 7.861,884 3.269,886 5.049,887 1.587,888 1.017,889 6.897,890 13.649,891 4.016,892 4.677,893 5.313,894 5.978,895 6.508,896 6.921,897 7.408,898 7.928,899 8.322,900 8.735,901 1,902 58,903 13.325,905 5.811,906 7.912,907 24.918,909 20.578,911 2.412,912 86.833,916 211.88,917 183.819,918 104.144,920 67.828,921 14.96,922 31.278,923 152.541,924 279.708,925 119.104,926 8.825,927 38.127,928 158.611,929 82.136,930 53.007,931 45.852,932 196.073,934 211.88,935 256.685,936 82.788,937 31.278,939 226.84,940 25.145,941 42.683,943 66.824,944 156.412,945 33.449,946 31.278,947 226.84,948 171.972,949 183.819,952 211.88,953 73.868,954 111.727,955 36.022,956 149.134,957 211.88,958 186.932,959 183.819,961 0.583,962 0.342,963 0.194,964 0.103,965 28,966 13,967 0.095,968 6,969 1,970 1.077,971 4.653,972 350.765,973 0.077,974 26,975 184.117,977 1,981 24.224,982 10.25,983 5.087,984 1.63,985 185.156,986 19.125,987 8.627,990 1.481,991 4.519,992 1.655,993 111.602,994 582.631,995 54.5,1000 12.361,1004 -0.534,1007 59.807,1008 66.405,1009 0.298,1010 0.714,1011 0.889,1012 0.957,1013 0.969,1014 0.969,1015 5.256,1016 1.873,1017 6.133,1018 5.941,1019 4.745,1020 5.366,1021 1.758,1022 6.971,1023 4.664,1024 6.489,1025 1.776,1026 7.706,1027 5.356,1028 4.369,1029 5.239,1030 1.195,1031 7.91,1032 4.273,1033 7.813,1034 1.463,1035 9.377,1036 4.882,1037 6.361,1038 7.639,1039 2.415,1040 11.044,1041 6.218,1042 9.175,1043 1.395,1044 11.107,1045 4.134,1046 6.804,1047 8.357,1048 2.324,1049 12.847,1050 6.639,1051 10.569,1052 1.181,1053 12.876,1054 3.573,1055 8.267,1056 10.221,1057 3.244,1058 15.513,1059 8.067,1060 11.985,1061 1.085,1062 14.674,1063 2.945,1064 9.088,1065 11.348,1066 3.407,1067 17.692,1068 8.859,1069 13.421,1070 1,1071 16.494,1072 2.586,1073 10.351,1074 13,1075 4.156,1076 20.211,1077 10.09,1078 3.319,1079 0.776,1080 18.332,1081 2.155,1082 11.352,1083 14.333,1084 4.464,1085 22.556,1086 11.06,1087 2.939,1088 11.986,1089 20.184,1090 1.742,1091 12.542,1092 15.902,1093 5.111,1094 25.034,1095 12.218,1096 2.796,1097 9.726,1098 22.049,1099 4.727,1100 13.63,1101 17.339,1102 5.504,1103 27.452,1104 13.273,1105 2.677,1106 8.814,1107 23.925,1108 3.964,1109 14.798,1110 18.88,1111 6.091,1112 29.922,1113 14.409,1114 2.444,1115 7.748,1116 25.809,1117 3.786,1118 15.93,1119 20.369,1120 6.531,1121 32.372,1122 15.507,1123 2.249,1124 7.546,1125 27.702,1126 3.66,1127 17.095,1128 21.905,1129 7.083,1130 34.843,1131 16.641,1132 2.157,1133 6.792,1134 29.601,1135 3.23,1136 18.25,1137 23.421,1138 7.551,1139 37.309,1140 17.761,1141 19924,1142 34386,1143 26.759,1144 41.381,1145 60.768,1146 61.604,1147 62.579,1148 60.013,1149 60.076,1150 81.606,1151 3.806,1152 176.086,1153 57.383,1154 5.62,1155 5.575,1156 6.785,1157 5.4,1158 5.319,1159 7.727,1160 2.912,1161 19.563,1162 5.21,1163 18.491,1164 1.519,1165 1.54,1166 1.564,1167 1.5,1168 1.502,1169 2.04,1170 0.095,1171 4.402,1172 1.435,1173 4.142,1174 4.16,1175 4.346,1176 4.137,1177 8.201,1178 4.1,1179 3.941,1180 3.981,1181 3.896,1182 3.861,1183 7.431,1184 3.858,1185 3.911,1186 3.953,1187 3.874,1188 3.807,1189 6.456,1190 3.814,1191 3.808,1192 3.848,1193 3.814,1194 3.671,1195 5.19,1196 3.678,1197 3.45,1198 3.498,1199 3.446,1200 3.253,1201 4.93,1202 3.259,1203 3.384,1204 3.436,1205 3.382,1206 3.155,1207 4.762,1208 3.182,1209 3.262,1210 3.318,1211 3.229,1212 3.105,1213 4.695,1214 3.091,1215 3.144,1216 3.223,1217 3.004,1218 2.985,1219 4.529,1220 2.968,1221 0.119,1222 0.089,1223 0.175,1224 0.107,1225 0.083,1226 4.75,1227 0.118,1228 3.575,1229 0.041,1230 7.014,1231 0.3,1232 4.287,1233 0.08,1234 3.319,1235 4.727,1236 1.656,1237 11.986,1238 3.21,1239 1.962,1240 1.945,1241 2.039,1242 2.049,1243 1.187,1244 2.043,1245 1.913,1246 1.884,1247 2.014,1248 2.007,1249 1.131,1250 2.014,1251 1.842,1252 1.825,1253 1.887,1254 1.935,1255 1.072,1256 1.932,1257 1.59,1258 1.521,1259 1.799,1260 1.865,1261 1.015,1262 1.845,1263 1.452,1264 1.426,1265 1.565,1266 1.625,1267 0.682,1268 1.603,1269 1.305,1270 1.26,1271 1.53,1272 1.53,1273 0.613,1274 1.527,1275 1.238,1276 1.204,1277 1.388,1278 1.397,1279 0.506,1280 1.43,1281 1.136,1282 1.075,1283 1.272,1284 1.387,1285 0.301,1286 1.351,1287 4.394,1289 5.733,1290 3.045,1291 7.258,1292 5.352,1293 8.874,1294 7.434,1295 10.541,1297 1.922,1299 15.008,1301 6.239,1302 9.159,1303 0.383,1305 5.259,1314 39.87,1315 103.313,1316 247.719,1317 308.67,1318 332.321,1319 336.321,1320 336.321,1321 72.057,1322 8.6,1323 118.09,1324 146.33,1325 28,1326 12.952,1327 4.858,1328 3.954,1329 54.706,1330 183,1331 196,1332 0.145,1333 246.236,1334 415.9,1335 592.575,1336 76092,1337 1.7,1338 25.233,1339 0.701,1340 0.56,1341 24.717,1342 20.142,1343 17.423,1344 0.436,1345 0.301,1346 11.083,1347 16.304,1348 10.756,1349 8.903,1350 17.466,1351 12.046,1352 15.954,1353 0.28,1354 0.161,1355 15.948,1356 9.149,1357 13.348,1358 0.173,1359 0.087,1360 13.586,1361 6.715,1362 11.796,1363 0.111,1364 0.048,1365 12.43,1366 5.124,1367 9.179,1368 0.07,1369 0.026,1370 9.69,1371 3.343,1372 0.232,1373 113.856,1374 0.193,1375 33.32,1376 0.384,1377 194,1378 619.77,1379 234.646,1380 602.21,1381 818.87,1382 562,1383 231,1384 588.164,1385 270.284,1386 607.706,1387 889.28,1388 571,1389 7}
{0 CHEMBL1986855,1 1.614,2 11.538,3 3.902,4 15.224,5 100.734,6 8.103,7 0.759,8 3.886,9 3.999,10 3.527,11 3.447,12 5.072,13 3.45,14 4.37,15 4.522,16 3.87,17 3.815,18 5.574,19 3.801,20 4.544,21 4.726,22 3.868,23 3.905,24 5.641,25 3.861,26 4.578,27 4.783,28 3.775,29 3.873,30 5.667,31 3.801,32 4.597,33 4.841,34 3.692,35 3.795,36 5.633,37 3.714,38 4.482,39 4.714,40 3.706,41 3.653,42 5.68,43 3.617,44 4.319,45 4.528,46 3.58,47 3.552,48 5.577,49 3.515,50 4.289,51 4.529,52 3.415,53 3.461,54 5.445,55 3.405,56 0.055,57 0.71,58 7.372,59 3.616,60 6.771,61 4.289,62 0.278,63 1.126,64 14.019,65 5.923,66 25.697,67 7.166,68 0.228,69 1.288,70 17.787,71 7.326,72 26.434,73 9.118,74 0.292,75 1.324,76 19.277,77 7.646,78 29.437,79 9.923,80 0.281,81 1.33,82 21.993,83 8.197,84 37.558,85 10.902,86 0.474,87 1.286,88 19.815,89 6.742,90 47.324,91 8.427,92 0.342,93 1.128,94 15.54,95 5.698,96 40.417,97 6.888,98 0.325,99 1.017,100 16.586,101 5.825,102 38.988,103 7.261,104 6,105 40,106 0.277,107 0.632,108 0.792,109 0.871,110 0.871,111 0.871,112 3.304,113 0.848,114 -4.6,115 -4.52,116 -4.25,119 46.5,124 1,125 1,142 8,143 4,144 1,145 1,147 2,151 1,161 1,172 10,175 6,178 2,180 4,183 10,188 5,193 5,196 6,200 4,205 7,208 4,213 5,218 1,221 5,225 3,228 2,229 1,230 1,233 6,237 1,238 1,241 1,243 1,246 7,249 1,250 1,255 1,258 7,264 2,269 2,272 5,276 1014,277 17.972,278 17.972,279 17.972,280 17.972,281 17.972,282 15.406,283 15.653,284 10.64,285 18.462,286 14.286,287 14.286,288 14.286,289 14.286,290 14.286,291 10.385,292 22.448,293 5.014,294 15.002,295 3.812,296 1.74,297 0.808,298 0.343,299 0.343,300 0.343,301 4.005,304 1,305 1,306 1,307 661,308 2.646,311 54.326,312 237.952,315 103.043,319 1.692,320 22.392,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 56.5,332 300,333 4.6,334 3.199,335 6.714,336 4.149,337 3.167,338 4.535,339 0.86,340 10.927,341 3.113,342 4.147,343 2.964,344 5.855,345 3.689,346 2.739,347 3.815,348 0.657,349 8.279,350 2.616,351 4.03,352 2.895,353 5.493,354 3.604,355 2.634,356 3.633,358 7.356,359 2.544,360 3.574,361 2.63,362 5.355,363 3.194,364 2.247,365 2.948,367 6.786,368 2.119,369 3.474,370 2.374,371 5.101,372 3.077,373 2.135,374 2.767,376 6.239,377 2.004,378 3.275,379 2.215,380 4.781,381 2.852,382 1.935,383 2.529,385 5.361,386 1.753,387 3.046,388 1.547,389 4.503,390 2.513,391 1.547,392 2.319,394 4.239,395 1.492,396 2.921,397 1.475,398 4.006,399 2.395,400 1.441,401 2.118,403 3.448,404 1.368,405 2.526,406 1.229,407 3.564,408 2,409 1.033,410 1.539,412 2.563,413 1,414 2.5,415 1.04,416 3.414,417 2,418 1,419 1.5,421 2.275,422 0.996,423 1.981,424 1,425 3.257,426 1.708,427 0.788,428 0.893,430 1.744,431 0.72,432 1.949,433 0.822,434 3.094,435 1.432,436 0.49,437 0.719,439 1.176,440 0.46,441 1.583,442 0.491,443 2.746,444 1.307,445 0.425,446 0.479,448 0.694,449 0.372,450 0.981,451 0.193,452 2.558,453 0.614,454 -0.331,455 -0.408,457 -0.734,458 -0.307,459 0.928,460 -0.006,461 2.404,462 0.477,463 -0.413,464 -0.518,466 -1.018,467 -0.357,468 12.219,469 0.47,470 0.533,471 0.021,472 38.25,473 1.471,474 21,475 0.808,476 17.25,477 0.663,478 16.679,479 0.642,480 26.781,481 0.623,482 27.112,483 1.043,484 7.882,485 0.303,486 4.843,487 0.186,488 0.064,490 0.327,495 1,496 0.751,497 1.087,498 0.698,499 0.979,500 0.594,501 0.853,502 0.853,503 0.848,504 0.83,505 0.874,506 0.593,507 0.858,508 0.935,509 1.087,510 0.985,511 1.068,512 0.829,513 1.042,514 0.793,515 1.044,516 1.054,517 1.136,518 0.738,519 1.148,520 0.89,521 1.12,522 0.935,523 1.036,524 1.034,525 1.002,526 1.278,527 1.09,528 0.977,529 0.864,530 1.576,531 0.86,532 1.286,533 1.175,534 1.104,535 1.045,536 1.5,537 1.038,538 1.343,539 1.093,540 1.047,541 0.895,542 1.576,543 0.898,544 5,545 0.098,546 2.444,547 1.382,548 1.303,549 0.569,550 0.476,551 0.339,552 0.184,553 0.156,554 8646,555 24496,556 2.148,557 39.5,559 13,560 1,561 1,562 2,567 1.688,568 2.053,569 3.472,570 0.251,572 1,577 69.404,578 1.614,579 3.686,580 4.618,581 5.083,582 5.083,583 5.083,584 2.936,585 4.287,586 4.67,587 3.618,588 1175.85,589 8.081,590 14813.4,592 1,594 1,595 233.329,596 1.239,597 4.65,598 0.172,599 0.005,600 0.061,601 0.035,602 0.038,603 0.018,604 0.015,605 0.013,606 0.008,607 0.008,608 0.375,609 0.17,610 1,611 0.646,612 128.138,613 -0.062,614 -0.102,615 0.041,616 -0.028,617 -0.061,618 0.02,619 0.025,620 0.121,621 0.008,622 0.072,623 0.077,624 0.037,625 -0.11,626 -0.133,627 -0.099,628 -0.104,629 -0.074,630 -0.1,631 -0.013,632 -0.117,633 -0.135,634 -0.172,635 -0.007,636 -0.181,637 -0.028,638 -0.149,639 0.075,640 -0.044,641 -0.025,642 0.021,643 0.035,644 0.071,645 0.078,646 0.1,647 -0.051,648 0.093,649 -0.018,650 0.022,651 -0.107,652 -0.084,653 0.014,654 -0.113,655 -0.087,656 0.05,657 0.016,658 0.099,659 -0.049,660 0.091,661 2.196,662 6.051,663 0.808,664 23.231,665 1.01,666 1.127,667 3.37,668 11.354,669 0.692,670 3.401,671 3.714,672 3.989,673 4.263,674 4.477,675 4.533,676 4.635,677 4.754,678 4.787,679 4.875,680 6.565,681 0.671,682 348.41,683 3.401,684 4.934,685 5.784,686 6.658,687 7.523,688 8.404,689 9.277,690 10.161,691 11.038,692 11.925,693 9.3,698 1,701 1,703 2,708 2,709 10,710 2,711 1,714 6,716 22,728 1,733 1,734 1,735 43,737 22,738 1,739 29,741 46,742 20,743 18,744 2,745 4,748 4,749 5,762 18,763 2,780 1,781 1,783 17,784 5,785 2,786 6,792 4,797 0.75,798 1,809 2,811 1,815 1,816 3,819 1,843 3,847 1,849 1,851 26,858 1,860 1,861 1,873 1,874 2.3,879 1,881 12.667,882 8.043,883 5.75,884 2.384,886 4.172,887 1.554,888 1.033,889 4.548,890 11.698,891 3.714,892 4.36,893 4.991,894 5.618,895 6.161,896 6.449,897 6.862,898 7.307,899 7.564,900 7.963,901 0.875,902 39,903 9.569,905 4.066,906 7.782,907 18.099,909 14.669,911 2.282,912 59.333,915 1,916 176.567,917 137.002,918 68.367,920 11,921 14.96,923 137.002,924 187.566,925 83.327,926 10.883,927 2.106,928 84.857,929 65.068,930 69.166,931 22.791,932 153.024,934 176.567,935 205.369,936 25.96,939 176.567,940 11,941 14.96,943 29.654,944 124.134,945 51.582,947 191.527,948 79.367,949 137.002,952 176.567,953 32.214,954 104.788,955 34.796,956 59.531,957 176.567,958 94.327,959 137.002,961 0.575,962 0.338,963 0.186,964 0.101,965 20,966 8,967 0.109,968 5,969 1,970 1.095,971 3.907,972 218.392,973 0.095,974 21,975 118.211,981 16.553,982 7.143,983 3.562,984 1.715,985 77.542,986 18.32,987 8.216,988 3.108,991 3.436,993 34.796,994 407.896,995 40,1007 43.432,1008 48.449,1009 0.297,1010 0.679,1011 0.851,1012 0.937,1013 0.937,1014 0.937,1015 4.924,1016 1.441,1017 5.753,1018 4.239,1019 4.394,1020 5.047,1021 1.207,1022 6.541,1023 4.308,1024 6.138,1025 1.033,1026 7.291,1027 3.448,1028 3.892,1029 4.808,1031 7.38,1032 3.768,1033 7.444,1034 1,1035 8.926,1036 2.563,1037 5.964,1038 7.307,1039 0.903,1040 10.477,1041 5.814,1042 8.789,1043 0.788,1044 10.62,1045 2.275,1046 6.293,1047 7.923,1049 12.186,1050 6.121,1051 10.165,1052 0.49,1053 12.354,1054 1.744,1055 7.807,1056 9.858,1057 0.678,1058 14.801,1059 7.614,1060 11.565,1061 0.425,1062 14.117,1063 1.176,1064 8.539,1065 10.903,1067 16.893,1068 8.333,1069 12.983,1070 -0.331,1071 15.902,1072 0.694,1073 9.819,1074 12.591,1075 0.512,1076 19.352,1077 9.595,1078 3.167,1079 -0.413,1080 17.705,1081 -0.734,1082 10.754,1083 13.861,1085 21.614,1086 10.52,1087 2.739,1088 10.927,1089 19.524,1090 -1.018,1091 11.937,1092 15.437,1093 0.387,1094 24.022,1095 11.688,1096 2.634,1097 8.279,1098 21.356,1099 4.535,1100 12.974,1101 16.822,1103 26.357,1104 12.714,1105 2.247,1106 7.356,1107 23.198,1108 3.815,1109 14.12,1110 18.35,1111 0.293,1112 28.751,1113 13.847,1114 2.135,1115 6.786,1116 25.05,1117 3.633,1118 15.207,1119 19.794,1121 31.116,1122 14.923,1123 1.935,1124 6.239,1125 26.909,1126 2.948,1127 16.343,1128 21.304,1129 0.221,1130 33.506,1131 16.046,1132 1.547,1133 5.361,1134 28.776,1135 2.767,1136 17.456,1137 22.778,1139 35.885,1140 17.147,1141 8135,1142 13826,1143 19.879,1144 29.745,1145 43.353,1146 43.6,1147 44.067,1148 43.182,1149 43.162,1150 59.589,1151 3.035,1152 122.173,1153 41.114,1154 5.431,1155 5.199,1156 6.396,1157 5.195,1158 5.167,1159 7.535,1160 1.72,1161 18.107,1162 5.113,1163 9.518,1164 1.495,1165 1.503,1166 1.52,1167 1.489,1168 1.488,1169 2.055,1170 0.105,1171 4.213,1172 1.418,1173 4.131,1174 4.168,1175 4.099,1176 4.03,1177 8.203,1178 4.042,1179 3.932,1180 3.964,1181 3.872,1182 3.852,1183 5.072,1184 3.851,1185 3.805,1186 3.844,1187 3.77,1188 3.675,1189 4.872,1190 3.692,1191 3.387,1192 3.449,1193 3.285,1194 3.225,1195 4.747,1196 3.232,1197 3.333,1198 3.395,1199 3.215,1200 3.118,1201 4.389,1202 3.132,1203 3.143,1204 3.232,1205 2.965,1206 2.88,1207 4.335,1208 2.882,1209 2.901,1210 2.965,1211 2.852,1212 2.735,1213 3.978,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.689,1219 3.855,1220 2.709,1221 0.159,1222 0.11,1223 0.232,1224 0.143,1225 0.109,1226 4.6,1227 0.156,1228 3.199,1229 0.03,1230 6.714,1231 0.377,1232 4.149,1233 0.107,1234 3.167,1235 4.535,1236 0.86,1237 10.927,1238 3.113,1239 1.938,1240 1.913,1241 2.031,1242 2.045,1243 1.166,1244 2.039,1245 1.895,1246 1.872,1247 1.985,1248 1.996,1249 1.115,1250 1.994,1251 1.771,1252 1.731,1253 1.863,1254 1.932,1255 0.902,1256 1.915,1257 1.406,1258 1.342,1259 1.603,1260 1.647,1261 0.683,1262 1.633,1263 1.276,1264 1.216,1265 1.541,1266 1.552,1267 0.557,1268 1.556,1269 1.116,1270 1.026,1271 1.435,1272 1.396,1273 0.505,1274 1.417,1275 0.994,1276 0.944,1277 1.181,1278 1.155,1279 0.274,1280 1.157,1281 0.886,1282 0.821,1283 1.159,1284 1.062,1285 0.218,1286 1.107,1287 4.078,1289 5.389,1290 2.398,1291 6.897,1292 4.727,1293 8.492,1294 6.843,1295 10.133,1297 1.631,1299 14.051,1303 0.537,1305 3.172,1306 5.149,1314 28.871,1315 69.404,1316 158.5,1317 198.574,1318 218.574,1319 218.574,1320 218.574,1321 35.152,1322 7.526,1323 62.83,1324 62.83,1325 23,1326 12.458,1327 4.524,1328 3.585,1329 38.167,1330 102,1331 118,1332 0.181,1333 176.141,1334 293.98,1335 421.545,1336 19945,1337 2.3,1338 17.933,1339 0.69,1340 0.545,1341 17.062,1342 14.161,1343 12.725,1344 0.439,1345 0.283,1346 8.06,1347 12.188,1348 7.881,1349 6.549,1350 12.331,1351 8.196,1352 11.26,1353 0.282,1354 0.147,1355 10.615,1356 5.867,1357 9.598,1358 0.181,1359 0.079,1360 9.344,1361 4.189,1362 8.152,1363 0.116,1364 0.041,1365 7.748,1366 2.874,1367 6.532,1368 0.075,1369 0.022,1370 6.294,1371 1.891,1372 0.287,1373 80.1,1374 0.224,1375 25.302,1376 0.489,1377 138,1378 451.803,1379 152.23,1380 414.65,1381 568.44,1382 390,1383 162,1384 419.822,1385 175.062,1386 422.744,1387 615.67,1388 397,1389 7.5}
{0 CHEMBL1986869,1 1.795,2 10.6,3 2.006,4 4.025,5 100.796,6 9.671,7 0.75,8 3.779,9 3.877,10 3.654,11 3.472,12 5.003,13 3.418,14 4.228,15 4.349,16 4.076,17 3.841,18 5.445,19 3.775,20 4.36,21 4.506,22 4.067,23 3.857,24 5.581,25 3.785,26 4.395,27 4.549,28 3.961,29 3.838,30 5.691,31 3.725,32 4.309,33 4.487,34 3.941,35 3.73,36 5.575,37 3.627,38 4.232,39 4.406,40 3.879,41 3.7,42 5.422,43 3.581,44 4.105,45 4.252,46 3.681,47 3.57,48 5.321,49 3.467,50 4.001,51 4.158,52 3.463,53 3.424,54 5.223,55 3.325,56 0.07,57 0.605,58 4.906,59 3.102,60 8.638,61 3.073,62 0.191,63 0.976,64 11.835,65 5.486,66 15.298,67 5.666,68 0.229,69 1.091,70 14.11,71 6.247,72 22.874,73 5.907,74 0.323,75 1.119,76 21.417,77 8.189,78 37.579,79 7.693,80 0.35,81 1.021,82 18.061,83 6.648,84 38.817,85 6.055,86 0.227,87 0.925,88 16.752,89 6.81,90 28.723,91 6.843,92 0.248,93 0.842,94 16.247,95 5.88,96 29.944,97 5.099,98 0.12,99 0.747,100 11.863,101 4.943,102 14.426,103 4.765,104 10,105 40,106 0.314,107 0.707,108 0.81,109 0.838,110 0.85,111 0.85,112 3.267,113 0.979,114 -3.39,115 -3.37,116 -3.23,119 44.7,120 1,142 4,143 2,144 1,145 2,146 2,151 1,152 1,158 1,161 1,162 1,163 1,164 1,165 1,172 4,175 8,178 2,180 2,183 4,185 1,188 5,193 3,196 5,198 2,199 1,200 2,202 2,203 2,204 1,205 3,207 1,208 5,210 1,212 2,213 3,216 1,218 1,221 5,225 4,227 1,228 1,230 3,233 1,235 2,237 1,238 5,243 3,246 2,248 2,250 3,255 3,258 2,260 1,264 2,266 1,267 1,272 2,276 849,277 16.947,278 16.947,279 16.947,280 16.947,281 16.947,282 14.338,283 13.107,284 9.912,285 17.542,286 13.827,287 13.827,288 13.827,289 13.827,290 13.827,291 9.907,292 17.525,293 4.742,294 14.849,295 3.453,296 1.208,297 0.619,298 0.461,299 0.388,300 0.388,301 3.963,304 1,305 1,306 1,307 583,308 2.828,311 123.88,312 145.368,315 99.46,319 1.824,320 23.745,322 1,323 1,324 1,325 1,326 0.4,328 0.83,329 1,330 0.75,331 53.5,332 265,333 4.667,334 3.623,335 6.789,336 4.179,337 3.237,338 4.615,339 1.058,340 11.1,341 3.05,342 4.197,343 3.094,344 6.17,345 3.812,346 2.838,347 3.784,349 9.137,350 2.767,351 4.095,352 2.796,353 5.896,354 3.61,355 2.708,356 3.711,358 8.158,359 2.463,360 3.795,361 2.742,362 5.533,363 3.359,364 2.387,365 3.234,367 7.367,368 2.282,369 3.362,370 2.066,371 5.002,372 2.874,373 1.929,374 2.713,376 5.501,377 1.82,378 3.146,379 2.018,380 4.674,381 2.676,382 1.753,383 2.441,385 4.976,386 1.6,387 3.106,388 1.713,389 4.416,390 2.577,391 1.682,392 2.3,394 4.351,395 1.479,396 2.794,397 1.62,398 4.19,399 2.268,400 1.31,401 1.871,403 3.404,404 1.237,405 2.571,406 1.139,407 3.516,408 2.022,409 1.07,410 1.573,412 2.654,413 1.009,414 2.5,415 1,416 3.44,417 1.984,418 1,419 1.5,421 2.136,422 0.983,423 2.207,424 0.849,425 3.269,426 1.585,427 0.742,428 1.071,430 1.824,431 0.606,432 2.133,433 0.8,434 3.247,435 1.508,436 0.663,437 0.955,439 1.668,440 0.55,441 1.022,442 0.372,443 2.734,444 0.663,445 -0.274,446 -0.331,448 -0.722,449 -0.251,450 0.988,451 -0.185,452 2.57,453 0.572,454 -0.395,455 -0.516,457 -0.967,458 -0.375,459 0.895,460 -0.395,461 2.265,462 0.379,463 -0.557,464 -0.767,466 -1.44,467 -0.513,468 12.5,469 0.5,470 0.644,471 0.026,472 37,473 1.48,474 20.5,475 0.82,476 16.5,477 0.66,478 18.166,479 0.727,480 24.7,481 0.65,482 24.404,483 0.976,484 6.998,485 0.28,486 5.116,487 0.205,488 0.099,490 0.36,496 0.855,497 1.006,498 0.691,499 0.71,500 0.749,501 0.695,502 0.612,503 1.092,504 0.791,505 0.937,506 0.586,507 0.791,508 1.122,509 1.174,510 0.899,511 1.005,512 1.099,513 0.956,514 0.881,515 1.13,516 1.382,517 1.383,518 0.906,519 1.197,520 1.306,521 0.759,522 0.845,523 0.751,524 1.414,525 0.857,526 1.093,527 0.949,528 1.002,529 0.966,530 1.199,531 0.857,532 1.417,533 1.135,534 1.429,535 1.285,536 1.588,537 1.094,538 1.056,539 1.419,540 1.283,541 1.366,542 0.93,543 1.321,544 5,545 0.069,546 2.889,547 2.333,548 1.169,549 0.775,550 0.653,551 0.369,552 0.221,553 0.12,554 7522,555 23319,556 2.13,557 34.2,559 4,560 1,561 2,562 3,563 3,567 1.679,568 2,569 3.384,570 1.045,571 1,572 1,577 68.219,578 1.795,579 4.04,580 4.629,581 4.787,582 4.86,583 4.86,584 2.884,585 4.404,586 4.612,587 3.518,588 1055.42,589 7.972,590 12650.8,591 1,592 1,594 1,595 199.421,596 1.388,597 4.579,598 0.179,599 0.006,600 0.072,601 0.061,602 0.034,603 0.025,604 0.022,605 0.014,606 0.01,607 0.008,608 0.431,609 0.5,610 1,611 0.553,612 120.543,613 -0.147,614 0.017,615 0.032,616 0.111,617 -0.152,618 0.083,619 0.172,620 -0.074,621 0.116,622 0.003,623 0.061,624 0.072,625 -0.127,626 -0.157,627 0.001,628 -0.086,629 -0.131,630 -0.081,631 0.164,632 -0.118,633 -0.236,634 -0.286,635 0.199,636 -0.236,637 -0.062,638 0.25,639 0.109,640 0.199,641 -0.076,642 0.074,643 -0.025,644 0.012,645 0.122,646 0.123,647 -0.002,648 0.162,649 -0.241,650 -0.119,651 -0.285,652 -0.187,653 -0.236,654 -0.152,655 -0.168,656 -0.424,657 -0.329,658 -0.409,659 -0.032,660 -0.402,661 1.93,662 5.519,663 0.8,664 23.632,665 1.014,666 1.111,667 2.161,668 4.671,669 0.759,670 3.367,671 3.714,672 4.007,673 4.29,674 4.454,675 4.554,676 4.745,677 4.883,678 4.942,679 4.99,680 6.148,681 0.719,682 367.49,683 3.367,684 4.92,685 5.784,686 6.673,687 7.553,688 8.449,689 9.337,690 10.236,691 11.13,692 12.031,693 13.2,697 1,700 1,703 3,708 2,709 7,710 3,713 2,714 6,716 21,723 1,727 1,735 38,737 22,739 28,741 41,742 17,743 15,746 1,748 4,749 5,754 1,762 16,763 1,767 1,772 1,776 1,779 1,780 1,783 13,784 6,785 3,786 8,787 2,792 5,797 0.75,798 1,809 2,815 2,816 2,819 1,843 3,845 2,847 1,851 25,852 1,860 1,868 1,869 1,874 2.6,877 1,881 12.5,882 7.267,883 5.389,884 2.076,886 3.689,887 1.496,888 1.048,889 4.277,890 11.119,891 3.701,892 4.369,893 5.012,894 5.649,895 6.136,896 6.511,897 7.026,898 7.496,899 7.822,900 8.175,901 1,902 38,903 9.201,905 3.982,906 7.787,907 17.348,909 14.29,911 2.287,912 57.167,916 117.711,917 155.939,918 101.265,920 25.145,922 62.555,923 93.384,924 142.856,925 101.265,926 8.825,927 18.011,928 78.451,929 104.065,930 32.624,931 13.13,932 144.953,934 117.711,935 194.648,936 25.145,937 62.555,939 117.711,940 25.145,943 51.262,944 93.03,945 50.357,946 62.555,947 117.711,948 126.409,949 155.939,952 117.711,953 83.465,954 72.474,955 18.011,956 108.399,957 117.711,958 126.409,959 155.939,961 0.588,962 0.347,963 0.19,964 0.096,965 21,966 9,967 0.073,968 3,969 1,970 1.1,971 3.762,972 211.84,973 0.1,974 20,975 112.096,977 2,981 16.246,982 6.581,983 3.173,984 1.51,985 126.409,986 12.901,987 12.894,990 2.664,991 4.103,993 50.908,994 400.06,995 39.5,1000 12.519,1004 -0.264,1007 38.524,1008 42.202,1009 0.342,1010 0.77,1011 0.882,1012 0.912,1013 0.926,1014 0.926,1015 4.929,1016 1.31,1017 5.778,1018 4.351,1019 4.394,1020 5.056,1021 1.176,1022 6.605,1023 4.263,1024 6.165,1025 1.07,1026 7.347,1027 3.404,1028 4.007,1029 4.902,1031 7.513,1032 3.851,1033 7.487,1034 1,1035 9.015,1036 2.654,1037 6.004,1038 7.336,1039 1.255,1040 10.635,1041 5.764,1042 8.848,1043 0.742,1044 10.741,1045 2.136,1046 6.447,1047 8.041,1049 12.388,1050 6.171,1051 10.242,1052 0.663,1053 12.505,1054 1.824,1055 7.913,1056 9.922,1057 1.338,1058 15.021,1059 7.574,1060 11.659,1061 -0.274,1062 14.296,1063 1.668,1064 8.735,1065 11.04,1067 17.129,1068 8.347,1069 13.095,1070 -0.395,1071 16.107,1072 -0.722,1073 9.995,1074 12.694,1075 1.422,1076 19.599,1077 9.552,1078 3.237,1079 -0.557,1080 17.933,1081 -0.967,1082 10.992,1083 14.017,1085 21.863,1086 10.495,1087 2.838,1088 11.1,1089 19.771,1090 -1.44,1091 12.174,1092 15.58,1093 1.51,1094 24.279,1095 11.623,1096 2.708,1097 9.137,1098 21.619,1099 4.615,1100 13.253,1101 17.004,1103 26.614,1104 12.644,1105 2.387,1106 8.158,1107 23.475,1108 3.784,1109 14.409,1110 18.534,1111 1.599,1112 29.014,1113 13.746,1114 1.929,1115 7.367,1116 25.338,1117 3.711,1118 15.527,1119 20.007,1121 31.383,1122 14.804,1123 1.753,1124 5.501,1125 27.207,1126 3.234,1127 16.677,1128 21.527,1129 1.69,1130 33.78,1131 15.899,1132 1.682,1133 4.976,1134 29.081,1135 2.713,1136 17.815,1137 23.026,1139 36.166,1140 16.977,1141 7080,1142 12629,1143 18.898,1144 28.824,1145 43.292,1146 43.692,1147 43.717,1148 42.535,1149 42.64,1150 59.534,1151 2.117,1152 124.55,1153 39.69,1154 5.511,1155 5.623,1156 6.591,1157 5.332,1158 5.237,1159 7.615,1160 2.117,1161 18.448,1162 5.017,1163 10.807,1164 1.546,1165 1.56,1166 1.561,1167 1.519,1168 1.523,1169 2.126,1170 0.076,1171 4.448,1172 1.418,1173 4.097,1174 4.112,1175 4.347,1176 4.086,1177 7.429,1178 4.046,1179 3.855,1180 3.885,1181 4.203,1182 3.821,1183 5.137,1184 3.761,1185 3.814,1186 3.845,1187 3.822,1188 3.754,1189 4.927,1190 3.733,1191 3.444,1192 3.478,1193 3.443,1194 3.314,1195 4.839,1196 3.311,1197 3.161,1198 3.239,1199 3.164,1200 2.969,1201 4.717,1202 2.961,1203 2.943,1204 3.018,1205 3.013,1206 2.776,1207 4.001,1208 2.744,1209 2.854,1210 2.925,1211 2.97,1212 2.743,1213 3.847,1214 2.715,1215 2.849,1216 2.902,1217 2.687,1218 2.735,1219 3.827,1220 2.687,1221 0.167,1222 0.129,1223 0.242,1224 0.149,1225 0.116,1226 4.667,1227 0.165,1228 3.623,1229 0.038,1230 6.789,1231 0.396,1232 4.179,1233 0.109,1234 3.237,1235 4.615,1236 1.058,1237 11.1,1238 3.05,1239 1.942,1240 1.917,1241 2.013,1242 2.038,1243 1.112,1244 2.035,1245 1.721,1246 1.689,1247 1.82,1248 1.848,1249 0.887,1250 1.842,1251 1.559,1252 1.554,1253 1.745,1254 1.744,1255 0.831,1256 1.734,1257 1.525,1258 1.483,1259 1.517,1260 1.66,1261 0.678,1262 1.679,1263 1.241,1264 1.231,1265 1.274,1266 1.417,1267 0.424,1268 1.421,1269 0.983,1270 0.957,1271 1.181,1272 1.087,1273 0.232,1274 1.149,1275 0.886,1276 0.821,1277 1.077,1278 1.062,1279 0.218,1280 1.107,1281 0.799,1282 0.748,1283 0.941,1284 0.994,1285 0.108,1286 1.05,1287 4.043,1289 5.38,1290 3.045,1291 6.901,1292 5.416,1293 8.503,1294 7.506,1295 10.151,1297 1.879,1301 6.17,1305 2.79,1314 27.303,1315 68.219,1316 153.505,1317 175.911,1318 181.911,1319 184.666,1320 184.666,1321 37.04,1322 7.43,1323 93.79,1324 150.27,1325 22,1326 12.554,1327 4.524,1328 3.644,1329 35.987,1330 93,1331 90,1332 0.194,1333 175.222,1334 284.03,1335 419.302,1336 16340,1338 17.389,1339 0.696,1340 0.593,1341 18.096,1342 14.818,1343 12.114,1344 0.433,1345 0.326,1346 7.506,1347 10.875,1348 7.154,1349 5.936,1350 12.977,1351 9.141,1352 11.151,1353 0.279,1354 0.181,1355 12.344,1356 7.235,1357 9.563,1358 0.177,1359 0.104,1360 11.173,1361 5.605,1362 8.193,1363 0.114,1364 0.057,1365 9.846,1366 4.087,1367 6.122,1368 0.072,1369 0.03,1370 7.473,1371 2.56,1372 0.303,1373 83.9,1374 0.23,1375 24.306,1376 0.536,1377 136,1378 408.037,1379 196.42,1380 444.794,1381 613.82,1382 416,1383 162,1384 428.624,1385 217.469,1386 467.372,1387 687.07,1388 439,1389 5.1}
{0 CHEMBL1986943,1 1.674,2 9.958,3 3.025,4 9.152,5 95.057,6 8.187,7 0.593,8 3.866,9 3.988,10 3.512,11 3.411,12 4.951,13 3.399,14 4.411,15 4.576,16 3.916,17 3.832,18 5.495,19 3.789,20 4.713,21 4.945,22 3.895,23 3.933,24 5.671,25 3.85,26 4.675,27 4.928,28 3.854,29 3.834,30 5.651,31 3.744,32 4.529,33 4.781,34 3.775,35 3.73,36 5.531,37 3.645,38 4.378,39 4.583,40 3.861,41 3.688,42 5.478,43 3.62,44 4.322,45 4.508,46 3.72,47 3.655,48 5.475,49 3.543,50 4.247,51 4.456,52 3.425,53 3.541,54 5.208,55 3.409,56 0.068,57 0.664,58 7.815,59 3.484,60 9.873,61 4.515,62 0.238,63 1.075,64 15.658,65 6.294,66 24.54,67 8.401,68 0.346,69 1.273,70 26.296,71 8.479,72 40.761,73 11.743,74 0.447,75 1.187,76 26.737,77 7.872,78 45.561,79 11.248,80 0.378,81 1.047,82 23.563,83 6.673,84 37.999,85 9.553,86 0.341,87 0.909,88 21.094,89 5.663,90 30.331,91 7.575,92 0.409,93 0.799,94 23.462,95 6.253,96 40.811,97 8.107,98 0.214,99 0.736,100 20.64,101 6.149,102 23.785,103 8.105,104 5,105 38,106 0.292,107 0.674,108 0.805,109 0.858,110 0.858,111 0.858,112 3.229,113 0.943,114 -3.89,115 -3.85,116 -3.65,119 40.5,121 4,127 2,142 3,143 2,145 1,146 1,147 1,150 1,151 1,161 1,172 5,174 1,175 6,178 3,180 6,183 6,188 3,193 5,196 4,200 7,203 1,205 5,208 2,212 1,213 7,217 1,218 1,221 2,225 1,228 1,229 1,230 2,233 7,237 1,238 2,241 3,243 1,246 9,255 2,258 4,264 2,269 5,272 4,276 776,277 16.394,278 16.394,279 16.394,280 16.394,281 16.394,282 14.552,283 13.245,284 9.693,285 16.885,286 13.375,287 13.375,288 13.375,289 13.375,290 13.375,291 10.595,292 20.57,293 4.67,294 14.254,295 3.718,296 1.532,297 0.78,298 0.476,299 0.476,300 0.476,301 3.929,303 1,304 1,305 1,306 1,307 530,308 2.236,311 47.456,312 207.371,315 90.419,319 1.465,320 22.844,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 51.833,332 239,333 4.6,334 3.205,335 6.714,336 4.141,337 3.167,338 4.535,339 0.4,340 10.928,341 3.088,342 4.151,343 2.977,344 5.871,345 3.704,346 2.776,347 3.816,349 8.377,350 2.592,351 3.666,352 2.783,353 5.548,354 3.524,355 2.57,356 2.959,358 7.433,359 2.431,360 3.514,361 2.502,362 5.235,363 3.163,364 2.22,365 2.68,367 6.515,368 2.083,369 3.294,370 2.319,371 4.919,372 2.969,373 2.075,374 2.449,376 5.747,377 1.847,378 3.046,379 1.988,380 4.664,381 2.678,382 1.786,383 2.319,385 5.04,386 1.527,387 2.978,388 1.547,389 4.501,390 2.513,391 1.547,392 2.128,394 4.23,395 1.488,396 2.895,397 1.457,398 4.004,399 2.374,400 1.434,401 1.969,403 3.443,404 1.322,405 2.524,406 1.037,407 3.564,408 2,409 1.028,410 1.535,412 2.559,413 1,414 2,415 1,416 3.414,417 1.989,418 1,419 1,421 2.275,422 0.982,423 1.973,424 0.509,425 3.094,426 1.428,427 0.489,428 0.721,430 1.179,431 0.458,432 1.305,433 0.456,434 2.97,435 1.122,436 0.195,437 0.208,439 0.483,440 0.18,441 0.954,442 0.209,443 2.556,444 0.532,445 -0.365,446 -0.433,448 -0.933,449 -0.244,450 0.843,451 -0.152,452 2.285,453 0.407,454 -0.439,455 -0.531,457 -1.135,458 -0.378,459 0.672,460 -0.606,461 2,462 0.192,463 -0.689,464 -0.873,466 -1.751,467 -0.611,468 11.548,469 0.481,470 0.571,471 0.024,472 31,473 1.292,474 14.5,475 0.604,476 16.5,477 0.688,478 19.802,479 0.825,480 25.652,481 0.611,482 19.883,483 0.828,484 5.632,485 0.235,486 6.055,487 0.252,488 0.091,490 0.346,496 0.912,497 1.348,498 0.632,499 0.933,500 0.88,501 0.861,502 0.663,503 1.14,504 0.7,505 1.053,506 0.664,507 1.014,508 1.068,509 1.116,510 0.827,511 0.933,512 1.062,513 0.94,514 0.946,515 0.993,516 0.753,517 0.851,518 0.964,519 0.873,520 0.967,521 0.935,522 0.875,523 0.75,524 0.823,525 0.794,526 1.262,527 0.986,528 1.277,529 0.914,530 1.118,531 0.918,532 1.159,533 0.889,534 1.879,535 1.289,536 1.025,537 1.238,538 1.153,539 1.057,540 1.628,541 1.339,542 1.074,543 1.265,544 5,545 0.058,546 2.222,547 1.632,548 1.103,549 0.507,550 0.636,551 0.267,552 0.218,553 0.091,554 6632,555 18077,556 2.161,557 42.9,559 5,560 1,561 1,562 3,564 8,567 1.67,568 2.057,569 3.289,570 1.039,571 1,572 1,574 1,577 70.322,578 1.674,579 3.86,580 4.612,581 4.916,582 4.916,583 4.916,584 2.736,585 4.054,586 4.557,587 3.408,588 940.624,589 7.867,590 10888.1,591 1,592 1,594 1,595 226.477,596 1.281,597 4.532,598 0.185,599 0.005,600 0.058,601 0.045,602 0.034,603 0.017,604 0.021,605 0.011,606 0.011,607 0.006,608 0.394,609 0.5,610 1,611 0.49,612 113.484,613 -0.127,614 -0.141,615 0.011,616 0.025,617 -0.104,618 0.045,619 0.144,620 -0.006,621 0.021,622 -0.102,623 0.11,624 -0.087,625 -0.125,626 -0.135,627 0.016,628 0.018,629 -0.082,630 0.028,631 0.015,632 -0.031,633 0.126,634 0.086,635 -0.023,636 0.096,637 -0.03,638 0.062,639 0.101,640 0.186,641 -0.02,642 0.165,643 -0.117,644 0.076,645 -0.024,646 0.064,647 -0.147,648 0.009,649 0.037,650 0.111,651 -0.322,652 -0.206,653 0.029,654 -0.256,655 -0.186,656 -0.119,657 -0.308,658 -0.258,659 -0.169,660 -0.239,661 1.516,662 3.617,663 0.875,664 18.833,665 1.008,666 1.132,667 2.659,668 7.07,669 0.683,670 3.332,671 3.664,672 3.932,673 4.234,674 4.454,675 4.511,676 4.635,677 4.779,678 4.804,679 4.875,680 5.772,681 0.651,682 343.85,683 3.332,684 4.875,685 5.727,686 6.611,687 7.479,688 8.368,689 9.245,690 10.137,691 11.018,692 11.911,693 11.9,698 1,701 1,703 3,708 2,709 5,710 3,711 1,714 4,716 16,728 1,734 1,735 42,737 16,739 27,741 45,742 17,743 11,748 4,749 5,750 1,757 6,760 6,762 11,763 6,779 1,780 1,783 18,784 5,785 3,786 7,787 1,792 5,797 0.75,798 1,800 1,809 1,810 1,811 1,815 1,816 3,819 1,841 1,843 3,848 1,851 24,857 1,858 4,860 1,863 2,873 1,874 2.4,875 1,881 11.667,882 7.276,883 5.167,884 2.62,886 3.213,887 1.435,888 0.979,889 4.293,890 10.598,891 3.584,892 4.201,893 4.811,894 5.457,895 5.989,896 6.343,897 6.791,898 7.249,899 7.454,900 7.826,901 0.857,902 36,903 8.862,905 3.848,906 7.699,907 17.08,909 14.507,911 2.199,912 52.778,915 1,916 176.567,917 71.863,918 85.153,919 39.149,920 42.683,923 71.863,924 258.399,925 85.153,927 10.138,928 80.16,929 81.854,930 34.348,931 55.891,932 153.024,934 176.567,935 157.016,936 42.683,937 39.149,939 82.398,940 94.169,941 42.683,943 42.342,944 46.306,945 68.367,946 39.149,947 176.567,948 127.836,949 111.012,952 176.567,953 25.34,954 46.524,955 34.796,956 132.189,957 176.567,958 127.836,959 111.012,961 0.583,962 0.334,963 0.187,964 0.105,965 20,966 8,967 0.067,968 3,969 1,970 1.095,971 3.681,972 200.694,973 0.095,974 21,975 106.039,981 15.67,982 6.575,983 3.356,984 1.817,985 111.051,986 9.291,987 13.216,988 3.149,991 2.63,993 77.48,994 415.415,995 35,1007 42.345,1008 47.551,1009 0.311,1010 0.716,1011 0.855,1012 0.912,1013 0.912,1014 0.912,1015 4.82,1016 1.434,1017 5.707,1018 4.23,1019 4.344,1020 4.887,1021 0.278,1022 6.506,1023 4.227,1024 6.019,1025 1.028,1026 7.251,1027 3.443,1028 3.892,1029 4.677,1031 7.345,1032 3.689,1033 7.32,1034 1,1035 8.89,1036 2.559,1037 5.922,1038 7.11,1039 0.05,1040 10.459,1041 5.716,1042 8.657,1043 0.489,1044 10.588,1045 2.275,1046 6.275,1047 7.778,1049 12.166,1050 6.017,1051 10.029,1052 0.195,1053 12.324,1054 1.179,1055 7.775,1056 9.678,1057 0.008,1058 14.796,1059 7.505,1060 11.426,1061 -0.365,1062 14.09,1063 0.483,1064 8.523,1065 10.782,1067 16.889,1068 8.221,1069 12.846,1070 -0.439,1071 15.878,1072 -0.933,1073 9.799,1074 12.453,1075 0.001,1076 19.354,1077 9.48,1078 3.167,1079 -0.689,1080 17.685,1081 -1.135,1082 10.745,1083 13.769,1085 21.617,1086 10.404,1087 2.776,1088 10.928,1089 19.507,1090 -1.751,1091 11.928,1092 15.34,1094 24.027,1095 11.567,1096 2.57,1097 8.377,1098 21.342,1099 4.535,1100 12.971,1101 16.756,1103 26.361,1104 12.592,1105 2.22,1106 7.433,1107 23.187,1108 3.816,1109 14.119,1110 18.285,1112 28.756,1113 13.72,1114 2.075,1115 6.515,1116 25.041,1117 2.959,1118 15.21,1119 19.748,1121 31.121,1122 14.793,1123 1.786,1124 5.747,1125 26.903,1126 2.68,1127 16.347,1128 21.262,1130 33.51,1131 15.911,1132 1.547,1133 5.04,1134 28.772,1135 2.449,1136 17.462,1137 22.747,1139 35.889,1140 17.008,1141 6220,1142 10407,1143 18.493,1144 28.671,1145 40.782,1146 40.878,1147 41.443,1148 40.808,1149 40.574,1150 52.639,1151 0.8,1152 116.418,1153 37.995,1154 5.6,1155 5.205,1156 6.396,1157 5.216,1158 5.167,1159 7.535,1160 0.8,1161 18.109,1162 5.088,1163 8.833,1164 1.51,1165 1.514,1166 1.535,1167 1.511,1168 1.503,1169 1.95,1170 0.03,1171 4.312,1172 1.407,1173 4.125,1174 4.165,1175 4.113,1176 4.014,1177 6.449,1178 4.029,1179 3.896,1180 3.952,1181 3.918,1182 3.756,1183 5.139,1184 3.754,1185 3.747,1186 3.793,1187 3.73,1188 3.605,1189 5.006,1190 3.618,1191 3.369,1192 3.433,1193 3.355,1194 3.218,1195 4.511,1196 3.223,1197 3.236,1198 3.3,1199 3.243,1200 3.021,1201 4.348,1202 3.029,1203 3.111,1204 3.206,1205 3.027,1206 2.941,1207 4.181,1208 2.91,1209 2.877,1210 2.946,1211 2.866,1212 2.666,1213 3.921,1214 2.692,1215 2.814,1216 2.877,1217 2.772,1218 2.601,1219 3.727,1220 2.613,1221 0.17,1222 0.119,1223 0.249,1224 0.153,1225 0.117,1226 4.6,1227 0.168,1228 3.205,1229 0.015,1230 6.714,1231 0.405,1232 4.141,1233 0.114,1234 3.167,1235 4.535,1236 0.4,1237 10.928,1238 3.088,1239 1.909,1240 1.879,1241 2.073,1242 2.051,1243 1.456,1244 2.056,1245 1.859,1246 1.81,1247 1.967,1248 1.999,1249 1.082,1250 1.993,1251 1.718,1252 1.675,1253 1.789,1254 1.9,1255 0.825,1256 1.878,1257 1.385,1258 1.322,1259 1.53,1260 1.624,1261 0.825,1262 1.607,1263 1.181,1264 1.117,1265 1.513,1266 1.437,1267 0.74,1268 1.438,1269 1.153,1270 1.064,1271 1.428,1272 1.376,1273 0.495,1274 1.429,1275 0.998,1276 0.952,1277 1.16,1278 1.151,1279 0.274,1280 1.16,1281 0.739,1282 0.67,1283 0.997,1284 1.021,1285 0.049,1286 1.025,1287 4.007,1289 5.333,1290 2.398,1291 6.849,1292 4.727,1293 8.453,1294 6.843,1295 10.101,1298 6.202,1302 9.617,1303 3.422,1305 3.349,1308 0.085,1314 27.337,1315 70.322,1316 162.139,1317 193.722,1318 206.477,1319 206.477,1320 206.477,1321 34.7,1322 7.385,1323 86.72,1324 86.72,1325 23,1326 12.44,1327 4.087,1328 3.17,1329 33.843,1330 83,1331 90,1332 0.201,1333 170.075,1334 281.04,1335 406.744,1336 16016,1337 2.4,1338 16.518,1339 0.688,1340 0.575,1341 17.018,1342 13.793,1343 11.687,1344 0.433,1345 0.314,1346 8.035,1347 11.001,1348 7.893,1349 6.48,1350 11.975,1351 8.483,1352 10.75,1353 0.283,1354 0.172,1355 11.158,1356 6.538,1357 8.873,1358 0.177,1359 0.093,1360 9.109,1361 4.645,1362 7.745,1363 0.114,1364 0.05,1365 8.063,1366 3.374,1367 6.308,1368 0.074,1369 0.028,1370 6.54,1371 2.346,1372 0.312,1373 76.006,1374 0.233,1375 23.316,1376 0.56,1377 130,1378 357.954,1379 158.098,1380 380.195,1381 517.98,1382 356,1383 153,1384 367.178,1385 174.245,1386 380.28,1387 560.42,1388 360,1389 7.3}
{0 CHEMBL1986970,1 1.597,2 9.414,3 2.761,4 7.624,5 113.192,6 7.657,7 0.656,8 4.046,9 4.172,10 3.645,11 3.549,12 5.193,13 3.546,14 4.56,15 4.74,16 3.963,17 3.92,18 5.616,19 3.904,20 4.711,21 4.897,22 4.004,23 4.037,24 5.778,25 3.984,26 4.871,27 5.099,28 4.043,29 4.018,30 5.992,31 3.973,32 4.807,33 5.032,34 4.048,35 3.976,36 5.933,37 3.964,38 4.783,39 4.973,40 4.07,41 4.05,42 5.949,43 4.023,44 4.9,45 5.124,46 4.038,47 4.079,48 6.004,49 4.019,50 4.835,51 5.05,52 3.897,53 4.076,54 5.887,55 3.979,56 0.105,57 0.809,58 9.999,59 4.337,60 10.024,61 5.636,62 0.334,63 1.236,64 19.44,65 6.572,66 21.1,67 8.963,68 0.303,69 1.4,70 22.379,71 8.405,72 24.631,73 11.645,74 0.498,75 1.519,76 29.125,77 8.912,78 62.797,79 12.853,80 0.579,81 1.452,82 27.641,83 7.317,84 56.293,85 10.606,86 0.415,87 1.514,88 24.357,89 7.533,90 41.742,91 10.489,92 0.583,93 1.534,94 30.036,95 9.828,96 61.743,97 13.624,98 0.444,99 1.444,100 27.236,101 10.21,102 49.692,103 13.967,104 15,105 44,106 0.265,107 0.63,108 0.79,109 0.855,110 0.864,111 0.864,112 3.409,113 0.874,114 -3.38,115 -3.36,116 -3.22,119 41.2,124 2,125 3,142 8,143 3,145 1,146 1,152 2,158 1,166 2,168 1,172 10,174 2,175 3,180 2,183 10,187 3,188 9,193 2,196 5,199 4,200 15,205 1,212 1,213 15,221 1,224 2,225 11,228 1,233 4,237 4,238 6,241 2,246 8,249 2,250 5,253 2,258 9,264 5,269 1,272 6,276 1569,277 19.991,278 19.991,279 19.991,280 19.991,281 19.991,282 17.477,283 16.403,284 12.054,285 20.432,286 15.776,287 15.776,288 15.776,289 15.776,290 15.776,291 11.96,292 22.285,293 5.687,294 16.354,295 4.076,296 1.874,297 0.907,298 0.515,299 0.461,300 0.461,301 4.105,305 1,306 1,307 590,308 3.674,311 152.879,312 170.442,315 119.2,319 1.463,320 24.127,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 63,332 273,333 4.614,334 3.733,335 6.942,336 4.237,337 3.264,338 4.429,339 1.2,340 11.685,341 3.174,342 4.386,343 3.063,344 6.222,345 3.901,346 2.919,347 4.191,348 0.86,349 9.315,350 2.862,351 3.912,352 2.906,353 5.913,354 3.551,355 2.574,356 3.451,357 0.522,358 8.082,359 2.527,360 3.804,361 2.669,362 5.636,363 3.492,364 2.519,365 3.137,366 0.293,367 7.543,368 2.437,369 3.53,370 2.333,371 5.252,372 3.136,373 2.168,374 2.815,376 6.419,377 2.09,378 3.034,379 2.207,380 4.565,381 2.591,382 1.632,383 2.301,385 4.378,386 1.561,387 2.95,388 1.923,389 4.375,390 2.517,391 1.534,392 2.126,394 4.137,395 1.507,396 2.77,397 1.59,398 4.167,399 2.448,400 1.479,401 1.864,403 3.525,404 1.427,405 2.748,406 1.534,407 3.596,408 2.263,409 1.293,410 1.783,412 2.99,413 1.25,414 2.512,415 1.332,416 3.561,417 2.081,418 1.176,419 1.518,421 2.423,422 1.054,423 2.5,424 1.044,425 3.435,426 2,427 1.025,428 1.5,430 2.361,431 1,432 2.363,433 1.029,434 3.247,435 1.989,436 1,437 1.336,439 2.136,440 0.986,441 2.064,442 1,443 3.106,444 1.601,445 0.604,446 0.828,448 1.356,449 0.593,450 1.896,451 0.585,452 3.029,453 1.375,454 0.401,455 0.591,457 0.981,458 0.389,459 1.245,460 0.444,461 2.829,462 1.002,463 0.083,464 0.087,466 0.135,467 0.075,468 13.567,469 0.468,470 0.589,471 0.02,472 38.25,473 1.319,474 19.5,475 0.672,476 18.75,477 0.647,478 22.635,479 0.781,480 30.833,481 0.605,482 30.766,483 1.061,484 8.073,485 0.278,486 6.096,487 0.21,488 0.098,490 0.317,496 0.678,497 1.216,498 0.737,499 1.108,500 0.563,501 0.963,502 1.173,503 1.032,504 0.885,505 0.811,506 0.767,507 0.8,508 0.791,509 1.23,510 0.96,511 1.173,512 0.874,513 1.111,514 1.101,515 1.14,516 0.927,517 1,518 1.537,519 0.947,520 1.483,521 0.985,522 0.94,523 0.684,524 1.435,525 0.7,526 1.274,527 1.153,528 1.158,529 1.076,530 1.415,531 1.076,532 1.12,533 0.863,534 0.989,535 0.938,536 1.569,537 0.947,538 0.904,539 0.951,540 1.095,541 1.143,542 1.047,543 1.162,544 4.5,545 0.101,546 3.111,547 1.819,548 1.729,549 1.035,550 0.776,551 0.493,552 0.313,553 0.194,554 10102,555 27169,556 2.111,557 43.1,559 20,561 1,562 1,567 1.728,568 2,569 3.247,570 -0.302,571 1,572 1,577 81.438,578 1.597,579 3.799,580 4.765,581 5.157,582 5.211,583 5.211,584 2.682,585 4.582,586 4.824,587 3.44,588 1396.84,589 8.455,590 18770.2,592 1,594 1,595 289.294,596 1.314,597 4.8,598 0.141,599 0.005,600 0.071,601 0.041,602 0.039,603 0.023,604 0.017,605 0.011,606 0.008,607 0.007,608 0.362,609 0.33,610 1,611 1.344,612 145.212,613 0.12,614 -0.01,615 0.077,616 -0.071,617 0.021,618 -0.023,619 -0.116,620 0.075,621 0.032,622 0.171,623 -0.056,624 0.132,625 0.062,626 -0.165,627 -0.059,628 -0.157,629 -0.001,630 -0.138,631 0.03,632 -0.147,633 0.072,634 -0.051,635 -0.004,636 0.003,637 -0.169,638 0.048,639 0.077,640 0.224,641 -0.011,642 0.206,643 -0.165,644 -0.025,645 -0.227,646 -0.146,647 -0.106,648 -0.182,649 0.031,650 0.119,651 0.005,652 0.034,653 -0.065,654 0.015,655 0.029,656 0.022,657 -0.147,658 -0.114,659 0.005,660 -0.158,661 1.815,662 6.281,663 0.69,664 28.114,665 1.007,666 1.132,667 2.151,668 4.627,669 0.667,670 3.497,671 3.807,672 4.111,673 4.394,674 4.585,675 4.7,676 4.883,677 5.056,678 5.13,679 5.198,680 6.168,681 0.643,682 390.49,683 3.497,684 5.03,685 5.889,686 6.77,687 7.651,688 8.543,689 9.436,690 10.335,691 11.234,692 12.138,693 11.8,700 1,701 2,703 3,708 2,709 9,710 3,711 1,714 4,715 1,716 21,724 1,735 51,737 22,738 2,739 32,741 54,742 21,743 15,744 4,745 8,746 1,748 4,749 5,762 16,763 5,767 1,772 1,776 1,780 1,783 22,784 6,785 1,786 8,792 6,797 0.75,798 2,807 1,815 2,816 2,819 1,842 1,843 3,847 2,851 29,858 3,861 1,864 1,871 1,874 3.9,877 1,878 1,881 14.5,882 9.833,883 6.5,884 2.865,886 3.706,887 1.488,888 0.992,889 5.698,890 11.298,891 3.795,892 4.407,893 5.043,894 5.663,895 6.132,896 6.505,897 7.002,898 7.504,899 7.819,900 8.194,901 1,902 44,903 10.691,905 4.489,906 7.713,907 20.341,909 16.343,911 2.213,912 64.167,915 1,916 247.193,917 134.247,918 71.43,920 36.145,923 134.247,924 283.338,925 71.43,926 19.279,927 11.928,928 75.81,929 102.487,930 39.188,931 4.901,932 235.422,934 247.193,935 205.677,936 36.145,939 247.193,940 25.145,941 11,943 42.172,944 113.639,945 49.867,947 247.193,948 107.575,949 134.247,952 247.193,953 30.11,954 109.038,955 16.663,956 86.011,957 247.193,958 107.575,959 134.247,961 0.571,962 0.34,963 0.187,964 0.1,965 21,966 9,967 0.13,968 7,969 1,970 1.1,971 4.013,972 261.246,973 0.1,974 20,975 136.881,981 19.31,982 8.558,983 4.066,984 1.877,985 89.136,986 17.449,987 12.726,988 2.935,991 2.873,992 1.663,993 16.663,994 489.015,995 43.5,1000 13.281,1004 -0.148,1007 51.334,1008 57.73,1009 0.282,1010 0.67,1011 0.84,1012 0.909,1013 0.919,1014 0.919,1015 5.012,1016 1.479,1017 5.861,1018 4.137,1019 4.489,1020 5.094,1021 1.775,1022 6.683,1023 4.43,1024 6.216,1025 1.293,1026 7.422,1027 3.525,1028 4.007,1029 4.844,1030 0.325,1031 7.618,1032 3.93,1033 7.521,1034 1.176,1035 9.091,1036 2.99,1037 6.08,1038 7.328,1039 1.754,1040 10.766,1041 5.973,1042 8.87,1043 1.025,1044 10.824,1045 2.423,1046 6.494,1047 7.995,1048 0.653,1049 12.587,1050 6.364,1051 10.256,1052 1,1053 12.601,1054 2.361,1055 7.988,1056 9.885,1057 1.878,1058 15.248,1059 7.834,1060 11.669,1061 0.604,1062 14.408,1063 2.136,1064 8.805,1065 10.973,1066 1.001,1067 17.428,1068 8.624,1069 13.102,1070 0.401,1071 16.236,1072 1.356,1073 10.078,1074 12.621,1075 2.072,1076 19.937,1077 9.875,1078 3.264,1079 0.083,1080 18.081,1081 0.981,1082 11.08,1083 13.909,1084 1.37,1085 22.271,1086 10.847,1087 2.919,1088 11.685,1089 19.94,1090 0.135,1091 12.271,1092 15.454,1093 2.309,1094 24.734,1095 12.015,1096 2.574,1097 9.315,1098 21.809,1099 4.429,1100 13.358,1101 16.836,1102 1.754,1103 27.134,1104 13.072,1105 2.519,1106 8.082,1107 23.686,1108 4.191,1109 14.523,1110 18.337,1111 2.576,1112 29.586,1113 14.211,1114 2.168,1115 7.543,1116 25.572,1117 3.451,1118 15.649,1119 19.766,1120 2.143,1121 32.016,1122 15.309,1123 1.632,1124 6.419,1125 27.464,1126 3.137,1127 16.809,1128 21.249,1129 2.865,1130 34.467,1131 16.442,1132 1.534,1133 4.378,1134 29.361,1135 2.815,1136 17.956,1137 22.7,1138 2.535,1139 36.911,1140 17.559,1141 9671,1142 16002,1143 21.671,1144 34.034,1145 48.107,1146 48.783,1147 49.251,1148 47.305,1149 47.342,1150 63.918,1151 5.749,1152 134.929,1153 45.865,1154 5.508,1155 5.733,1156 6.805,1157 5.267,1158 5.264,1159 7.429,1160 2.293,1161 19.034,1162 5.174,1163 11.922,1164 1.503,1165 1.524,1166 1.539,1167 1.478,1168 1.479,1169 1.997,1170 0.18,1171 4.217,1172 1.433,1173 4.13,1174 4.171,1175 4.097,1176 4.02,1177 7.428,1178 4.032,1179 3.965,1180 4.015,1181 3.921,1182 3.86,1183 5.128,1184 3.86,1185 3.819,1186 3.861,1187 3.765,1188 3.645,1189 5.016,1190 3.68,1191 3.633,1192 3.703,1193 3.518,1194 3.389,1195 4.736,1196 3.408,1197 3.338,1198 3.4,1199 3.243,1200 3.135,1201 4.634,1202 3.152,1203 3.303,1204 3.376,1205 3.168,1206 3.026,1207 4.331,1208 3.043,1209 3.05,1210 3.116,1211 2.91,1212 2.911,1213 4.094,1214 2.902,1215 2.971,1216 3.084,1217 2.799,1218 2.772,1219 3.808,1220 2.771,1221 0.144,1222 0.117,1223 0.217,1224 0.132,1225 0.102,1226 4.614,1227 0.138,1228 3.733,1229 0.038,1230 6.942,1231 0.365,1232 4.237,1233 0.099,1234 3.264,1235 4.429,1236 1.2,1237 11.685,1238 3.174,1239 1.957,1240 1.936,1241 2.047,1242 2.041,1243 1.197,1244 2.041,1245 1.912,1246 1.882,1247 2.022,1248 2.004,1249 1.152,1250 2.012,1251 1.655,1252 1.605,1253 1.855,1254 1.896,1255 1.077,1256 1.884,1257 1.453,1258 1.4,1259 1.639,1260 1.704,1261 0.785,1262 1.681,1263 1.312,1264 1.23,1265 1.57,1266 1.643,1267 0.645,1268 1.594,1269 1.255,1270 1.182,1271 1.465,1272 1.57,1273 0.543,1274 1.569,1275 1.203,1276 1.135,1277 1.453,1278 1.418,1279 0.494,1280 1.393,1281 1.014,1282 0.906,1283 1.341,1284 1.292,1285 0.406,1286 1.353,1287 4.174,1289 5.485,1290 3.045,1291 6.989,1292 5.352,1293 8.585,1294 7.413,1295 10.233,1297 3.37,1303 1.395,1306 5.118,1309 1.629,1314 32.772,1315 81.438,1316 193.745,1317 243.029,1318 263.029,1319 265.784,1320 265.784,1321 46.923,1322 7.592,1323 88.93,1324 88.93,1325 22,1326 12.659,1327 4.524,1328 3.644,1329 44.26,1330 99,1331 126,1332 0.205,1333 202.12,1334 336,1335 484.934,1336 19190,1338 20.217,1339 0.697,1340 0.564,1341 20.217,1342 16.37,1343 14.169,1344 0.443,1345 0.291,1346 9.146,1347 13.476,1348 8.891,1349 7.419,1350 14.169,1351 9.324,1352 12.321,1353 0.28,1354 0.155,1355 12.321,1356 6.821,1357 10.724,1358 0.179,1359 0.08,1360 10.724,1361 4.804,1362 8.932,1363 0.112,1364 0.04,1365 8.932,1366 3.187,1367 6.986,1368 0.072,1369 0.022,1370 6.986,1371 2.112,1372 0.313,1373 89.895,1374 0.215,1375 27.178,1376 0.592,1377 152,1378 464.029,1379 167.53,1380 447.877,1381 614.78,1382 420,1383 180,1384 457.739,1385 198.251,1386 465.322,1387 674.01,1388 433,1389 5.1}
{0 CHEMBL1987007,1 1.607,2 10.667,3 2.615,4 6.84,5 98.802,6 7.738,7 0.556,8 3.894,9 4.018,10 3.553,11 3.492,12 4.929,13 3.438,14 4.446,15 4.624,16 3.952,17 3.915,18 5.425,19 3.833,20 4.688,21 4.906,22 3.949,23 3.994,24 5.608,25 3.876,26 4.742,27 5.005,28 3.75,29 3.911,30 5.642,31 3.77,32 4.593,33 4.843,34 3.795,35 3.818,36 5.607,37 3.685,38 4.37,39 4.555,40 3.708,41 3.745,42 5.454,43 3.592,44 4.253,45 4.452,46 3.493,47 3.584,48 5.253,49 3.44,50 4.16,51 4.368,52 3.301,53 3.374,54 5.246,55 3.286,56 0.052,57 0.693,58 9.454,59 4.148,60 7.119,61 5.318,62 0.18,63 1.154,64 19.072,65 7.008,66 16.568,67 9.271,68 0.213,69 1.363,70 27.342,71 9.365,72 26.039,73 12.534,74 0.274,75 1.334,76 29.856,77 10.179,78 32.821,79 13.54,80 0.306,81 1.151,82 26.453,83 9.117,84 42.995,85 11.596,86 0.329,87 1.01,88 24.523,89 8.088,90 34.304,91 9.002,92 0.134,93 0.889,94 21.703,95 7.114,96 21.023,97 8.402,98 0.196,99 0.77,100 15.377,101 4.858,102 31.127,103 6.153,104 5,105 38,106 0.277,107 0.628,108 0.758,109 0.803,110 0.814,111 0.814,112 3.229,113 1.005,114 -3.58,115 -3.55,116 -3.39,119 40.9,121 2,124 1,125 2,127 1,142 6,143 2,152 2,158 1,161 1,168 1,172 7,175 4,178 1,180 4,183 10,188 4,193 6,196 6,200 5,203 1,205 3,208 5,212 1,213 2,216 1,218 1,221 9,224 1,225 2,228 1,229 1,230 1,233 5,238 6,243 2,246 1,250 3,255 4,258 2,263 1,264 1,269 1,272 4,276 786,277 16.447,278 16.447,279 16.447,280 16.447,281 16.447,282 14.667,283 14.036,284 9.725,285 16.829,286 13.353,287 13.353,288 13.353,289 13.353,290 13.353,291 10.61,292 22.977,293 4.674,294 13.982,295 3.852,296 1.819,297 1.069,298 0.807,299 0.744,300 0.744,301 3.927,304 1,305 1,306 1,307 566,308 2.739,311 106.994,312 152.375,314 87.708,319 1.694,320 17.385,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 51,332 256,333 4.653,334 3.587,335 6.746,336 4.17,337 3.215,338 4.611,339 1.058,340 11.055,341 3.078,342 4.094,343 3.148,344 6.079,345 3.754,346 2.785,347 3.617,348 0.8,349 8.814,350 2.684,351 3.805,352 2.804,353 5.666,354 3.522,355 2.571,356 3.222,358 7.554,359 2.444,360 3.556,361 2.506,362 5.366,363 3.304,364 2.336,365 2.609,367 6.856,368 2.257,369 3.196,370 2.298,371 4.89,372 2.955,373 2.022,374 2.468,376 5.671,377 1.876,378 3.063,379 1.835,380 4.625,381 2.653,382 1.7,383 2.135,385 4.586,386 1.611,387 2.834,388 1.602,389 4.126,390 2.329,391 1.356,392 1.94,394 3.598,395 1.308,396 2.668,397 1.266,398 3.909,399 2.129,400 1.181,401 1.71,403 2.93,404 1.097,405 2.5,406 1.077,407 3.491,408 2,409 1,410 1.5,412 2.401,413 1,414 2.392,415 1.01,416 3.414,417 1.984,418 1,419 1.292,421 2.275,422 0.983,423 2,424 1,425 3.247,426 1.856,427 0.901,428 1,430 2.136,431 0.846,432 1.674,433 0.617,434 3.056,435 1.121,436 0.202,437 0.294,439 0.549,440 0.181,441 1.207,442 0.202,443 2.733,444 1.039,445 0.063,446 0.068,448 0.141,449 0.061,450 0.728,451 -0.109,452 2.281,453 0.326,454 -0.661,455 -0.727,457 -1.604,458 -0.637,459 0.547,460 -0.704,461 2,462 0.266,463 -0.71,464 -0.989,466 -1.648,467 -0.692,468 11.767,469 0.49,470 0.554,471 0.023,472 29,473 1.208,474 13.5,475 0.563,476 15.5,477 0.646,478 20.473,479 0.853,480 25.433,481 0.578,482 18.722,483 0.78,484 5.507,485 0.229,486 6.197,487 0.258,488 0.071,490 0.331,496 0.735,497 1.141,498 0.75,499 0.903,500 0.551,501 0.895,502 0.863,503 1.062,504 0.836,505 0.878,506 0.547,507 0.885,508 0.885,509 1.18,510 0.921,511 1.103,512 0.798,513 1.056,514 1.049,515 0.901,516 0.883,517 0.885,518 1.098,519 0.899,520 1.162,521 0.791,522 0.833,523 0.77,524 1.508,525 0.749,526 1.411,527 1.002,528 1.73,529 1.359,530 1.813,531 1.109,532 1.128,533 1.311,534 1.615,535 1.55,536 1.123,537 1.196,538 2.046,539 1.135,540 1.128,541 0.965,542 2.327,543 1.047,544 4.5,545 0.041,546 2.667,547 1.354,548 1.313,549 0.567,550 0.524,551 0.281,552 0.153,553 0.138,554 6929,555 16178,556 2.161,557 45.5,559 14,562 2,565 4,567 1.666,568 2.057,569 3.398,570 0.296,571 1,572 1,577 70.718,578 1.607,579 3.64,580 4.391,581 4.652,582 4.715,583 4.715,584 2.907,585 4.054,586 4.554,587 3.513,588 969.592,589 7.846,590 11368.8,592 1,594 1,595 240.215,596 1.281,597 4.532,598 0.167,599 0.003,600 0.07,601 0.039,602 0.044,603 0.019,604 0.02,605 0.013,606 0.008,607 0.009,608 0.391,609 0.5,610 1,611 0.49,612 114.541,613 0.034,614 0.015,615 0.073,616 0.057,618 0.044,619 0.016,620 0.046,621 0.084,622 0.091,623 0.069,624 0.059,625 0.013,626 -0.179,627 0.037,628 -0.124,629 0.026,630 -0.082,631 -0.012,632 0.027,633 0.064,634 0.052,635 -0.007,636 0.079,637 0.083,638 0.143,639 0.221,640 0.238,641 0.037,642 0.238,643 -0.009,644 0.1,645 -0.254,646 -0.067,647 -0.132,648 -0.114,649 -0.08,650 -0.26,651 -0.242,652 -0.301,653 0.028,654 -0.177,655 -0.376,656 -0.118,657 -0.213,658 -0.085,659 -0.273,660 -0.158,661 1.647,662 5.558,663 0.833,664 21.479,665 0.997,666 1.124,667 2.351,668 5.526,669 0.687,670 3.332,671 3.664,672 3.951,673 4.234,674 4.443,675 4.522,676 4.663,677 4.736,678 4.804,679 4.868,680 6.117,681 0.641,682 340.49,683 3.332,684 4.875,685 5.733,686 6.616,687 7.495,688 8.385,689 9.274,690 10.169,691 11.065,692 11.964,693 9.1,696 1,700 1,701 1,703 1,708 2,709 6,710 1,711 1,713 1,714 3,716 15,723 1,735 44,737 16,738 1,739 27,741 47,742 18,743 11,744 1,745 5,746 1,748 4,749 5,757 3,760 3,762 12,763 6,767 1,772 1,776 1,779 1,780 1,783 20,784 4,785 2,786 6,787 1,792 4,797 0.75,798 1,807 1,815 2,816 2,818 1,839 1,843 3,845 1,847 1,851 24,858 4,860 1,863 1,864 1,869 1,874 2.3,877 1,881 11.667,882 8.067,883 5.194,884 2.694,886 2.899,887 1.393,888 1.02,889 4.378,890 10.283,891 3.597,892 4.197,893 4.82,894 5.458,895 5.951,896 6.372,897 6.831,898 7.117,899 7.465,900 7.728,901 1,902 35,903 8.903,905 3.839,906 7.59,907 17.395,909 14.77,911 2.09,912 50.167,915 1,916 211.88,917 120.707,918 54.461,920 25.145,922 31.278,923 89.43,924 237.025,925 54.461,926 8.396,927 27.291,928 56.857,929 46.83,930 25.546,931 4.115,932 243.158,934 211.88,935 143.891,936 25.145,937 31.278,939 164.795,940 72.229,943 47.396,944 79.832,945 16.663,946 31.278,947 211.88,948 79.606,949 120.707,952 211.88,953 55.453,954 68.378,955 34.674,956 41.808,957 211.88,958 79.606,959 120.707,961 0.583,962 0.339,963 0.184,964 0.102,965 20,966 8,967 0.064,968 3,969 1,970 1.1,971 3.732,972 198.34,973 0.1,974 20,975 102.039,977 1,981 15.793,982 6.653,983 3.267,984 1.891,985 62.943,986 12.039,987 4.362,988 3.086,990 1.445,991 2.79,993 34.674,994 412.193,995 35.5,1000 12.558,1004 0.02,1007 43.88,1008 49.444,1009 0.294,1010 0.667,1011 0.804,1012 0.852,1013 0.864,1014 0.864,1015 4.834,1016 1.181,1017 5.714,1018 3.598,1019 4.344,1020 4.883,1021 1.435,1022 6.524,1023 4.255,1024 6.03,1025 1,1026 7.268,1027 2.93,1028 3.892,1029 4.663,1030 0.325,1031 7.402,1032 3.753,1033 7.332,1034 1,1035 8.921,1036 2.401,1037 5.932,1038 7.097,1039 1.379,1040 10.521,1041 5.76,1042 8.673,1043 0.901,1044 10.634,1045 2.275,1046 6.33,1047 7.811,1048 0.268,1049 12.273,1050 6.103,1051 10.052,1052 0.202,1053 12.388,1054 2.136,1055 7.82,1056 9.688,1057 1.406,1058 14.9,1059 7.565,1060 11.46,1061 0.063,1062 14.169,1063 0.549,1064 8.608,1065 10.84,1066 0.188,1067 17.017,1068 8.3,1069 12.89,1070 -0.661,1071 15.972,1072 0.141,1073 9.88,1074 12.5,1075 1.462,1076 19.485,1077 9.542,1078 3.215,1079 -0.71,1080 17.792,1081 -1.604,1082 10.857,1083 13.856,1084 0.125,1085 21.759,1086 10.467,1087 2.785,1088 11.055,1089 19.624,1090 -1.648,1091 12.044,1092 15.43,1093 1.533,1094 24.175,1095 11.619,1096 2.571,1097 8.814,1098 21.468,1099 4.611,1100 13.111,1101 16.879,1102 0.082,1103 26.518,1104 12.637,1105 2.336,1106 7.554,1107 23.32,1108 3.617,1109 14.268,1110 18.421,1111 1.613,1112 28.919,1113 13.756,1114 2.022,1115 6.856,1116 25.18,1117 3.222,1118 15.379,1119 19.912,1120 0.054,1121 31.293,1122 14.821,1123 1.7,1124 5.671,1125 27.046,1126 2.609,1127 16.53,1128 21.442,1129 1.698,1130 33.69,1131 15.93,1132 1.356,1133 4.586,1134 28.917,1135 2.468,1136 17.663,1137 22.953,1138 0.035,1139 36.078,1140 17.018,1141 6500,1142 10105,1143 18.493,1144 30.216,1145 41.315,1146 41.669,1147 41.676,1148 40.69,1149 40.664,1150 52.929,1151 3.717,1152 117.131,1153 38.85,1154 5.653,1155 5.587,1156 6.548,1157 5.325,1158 5.215,1159 7.611,1160 2.117,1161 18.238,1162 5.078,1163 8.786,1164 1.53,1165 1.543,1166 1.544,1167 1.507,1168 1.506,1169 1.96,1170 0.138,1171 4.338,1172 1.439,1173 4.131,1174 4.155,1175 4.357,1176 4.094,1177 7.429,1178 4.061,1179 3.87,1180 3.936,1181 3.823,1182 3.787,1183 5.069,1184 3.764,1185 3.814,1186 3.843,1187 3.742,1188 3.697,1189 4.699,1190 3.695,1191 3.459,1192 3.519,1193 3.429,1194 3.221,1195 4.394,1196 3.249,1197 3.219,1198 3.301,1199 3.192,1200 3.018,1201 4.16,1202 3.006,1203 3.111,1204 3.206,1205 2.922,1206 2.941,1207 3.944,1208 2.91,1209 2.934,1210 3.01,1211 2.866,1212 2.759,1213 3.674,1214 2.748,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.662,1220 2.715,1221 0.172,1222 0.133,1223 0.25,1224 0.154,1225 0.119,1226 4.653,1227 0.171,1228 3.587,1229 0.039,1230 6.746,1231 0.409,1232 4.17,1233 0.114,1234 3.215,1235 4.611,1236 1.058,1237 11.055,1238 3.078,1239 1.924,1240 1.899,1241 2.045,1242 2.034,1243 1.399,1244 2.042,1245 1.836,1246 1.775,1247 2.03,1248 2.001,1249 1.129,1250 2.011,1251 1.584,1252 1.562,1253 1.677,1254 1.72,1255 0.825,1256 1.711,1257 1.444,1258 1.453,1259 1.598,1260 1.595,1261 0.821,1262 1.582,1263 1.269,1264 1.182,1265 1.513,1266 1.545,1267 0.748,1268 1.528,1269 1.173,1270 1.091,1271 1.351,1272 1.403,1273 0.606,1274 1.429,1275 1.153,1276 1.064,1277 1.306,1278 1.376,1279 0.387,1280 1.427,1281 0.886,1282 0.821,1283 1.181,1284 1.073,1285 0.293,1286 1.127,1287 4.007,1289 5.333,1290 3.045,1291 6.843,1292 5.416,1293 8.435,1294 7.526,1295 10.075,1297 2.122,1303 4.107,1305 3.173,1308 0.276,1309 2.3,1314 28.202,1315 70.718,1316 160.176,1317 193.195,1318 204.705,1319 207.46,1320 207.46,1321 34.179,1322 7.384,1323 61.02,1324 89.26,1325 22,1326 12.488,1327 4.087,1328 3.248,1329 33.986,1330 88,1331 92,1332 0.191,1333 175.672,1334 290.64,1335 420.399,1336 15954,1338 16.518,1339 0.688,1340 0.6,1341 16.872,1342 14.397,1343 11.704,1344 0.433,1345 0.335,1346 8.205,1347 10.896,1348 7.937,1349 6.568,1350 12.112,1351 9.049,1352 10.634,1353 0.28,1354 0.194,1355 11.276,1356 7.376,1357 9.107,1358 0.179,1359 0.11,1360 9.948,1361 5.619,1362 7.574,1363 0.111,1364 0.06,1365 8.418,1366 4.056,1367 6.152,1368 0.073,1369 0.035,1370 6.979,1371 2.912,1372 0.3,1373 76.894,1374 0.233,1375 23.558,1376 0.522,1377 130,1378 336.552,1379 165.637,1380 351.462,1381 487.21,1382 330,1383 154,1384 348.563,1385 188.898,1386 371.011,1387 545.76,1388 349,1389 5.1}
{0 CHEMBL1987009,1 1.643,2 11.577,3 4.072,4 16.578,5 104.427,6 8.453,7 0.724,8 3.88,9 3.98,10 3.606,11 3.519,12 5.04,13 3.48,14 4.36,15 4.491,16 3.982,17 3.898,18 5.489,19 3.839,20 4.515,21 4.674,22 3.992,23 3.933,24 5.607,25 3.855,26 4.552,27 4.746,28 3.813,29 3.858,30 5.629,31 3.768,32 4.523,33 4.732,34 3.817,35 3.834,36 5.617,37 3.724,38 4.41,39 4.605,40 3.749,41 3.754,42 5.518,43 3.629,44 4.274,45 4.472,46 3.617,47 3.6,48 5.445,49 3.483,50 4.109,51 4.281,52 3.503,53 3.444,54 5.294,55 3.373,56 0.058,57 0.614,58 7.479,59 3.853,60 6.889,61 4.418,62 0.188,63 0.979,64 14.812,65 6.478,66 17.842,67 7.393,68 0.17,69 1.128,70 20.076,71 8.081,72 21.761,73 9.464,74 0.232,75 1.169,76 21.52,77 8.215,78 31.968,79 9.505,80 0.333,81 1.138,82 22.673,83 8.512,84 34.442,85 10.108,86 0.263,87 1.017,88 20.51,89 7.867,90 31.042,91 8.913,92 0.31,93 0.894,94 20.636,95 7.075,96 37.006,97 7.597,98 0.178,99 0.735,100 15.229,101 5.514,102 25.648,103 5.89,104 6,105 40,106 0.281,107 0.61,108 0.729,109 0.846,110 0.87,111 0.87,112 3.304,113 0.932,114 -4.08,115 -4.03,116 -3.81,119 46.5,124 1,125 1,142 10,143 3,144 1,152 2,158 1,161 1,168 1,172 11,175 4,178 1,180 3,183 13,188 6,193 8,196 8,200 5,205 4,208 5,212 1,213 4,216 2,218 2,221 7,225 3,228 1,229 1,230 1,233 8,237 1,238 4,243 2,246 5,250 6,255 3,258 4,264 3,269 3,272 5,276 1022,277 18.024,278 18.024,279 18.024,280 18.024,281 18.024,282 15.521,283 12.058,284 10.709,285 18.468,286 14.281,287 14.281,288 14.281,289 14.281,290 14.281,291 10.406,292 15.608,293 5.039,294 14.912,295 3.783,296 1.862,297 1.162,298 0.483,299 0.343,300 0.343,301 4.003,304 1,305 1,306 1,307 661,308 3.082,311 120.677,312 171.697,314 98.79,319 1.84,320 19.241,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 55.5,332 301,333 4.653,334 3.577,335 6.746,336 4.169,337 3.214,338 4.611,339 1.081,340 11.054,341 3.078,342 4.101,343 3.147,344 6.058,345 3.725,346 2.754,347 3.673,348 0.86,349 8.727,350 2.667,351 4.049,352 2.942,353 5.642,354 3.633,355 2.664,356 3.612,357 0.473,358 7.697,359 2.575,360 3.77,361 2.514,362 5.576,363 3.329,364 2.354,365 3.208,367 7.278,368 2.287,369 3.363,370 2.473,371 4.961,372 3.015,373 2.064,374 2.615,376 5.833,377 1.95,378 3.183,379 1.838,380 4.629,381 2.666,382 1.714,383 2.48,385 4.597,386 1.621,387 2.893,388 1.603,389 4.184,390 2.38,391 1.421,392 2.042,394 3.778,395 1.352,396 2.711,397 1.432,398 3.971,399 2.229,400 1.259,401 1.798,403 3.102,404 1.218,405 2.674,406 1.266,407 3.502,408 2.147,409 1.19,410 1.742,412 2.649,413 1.116,414 2.5,415 1.056,416 3.489,417 2,418 1,419 1.5,421 2.464,422 1,423 2.425,424 1.001,425 3.247,426 1.914,427 0.963,428 1.37,430 2.136,431 0.907,432 1.751,433 1,434 3.057,435 1.403,436 0.447,437 0.527,439 0.953,440 0.407,441 1.674,442 0.935,443 3.016,444 1.289,445 0.387,446 0.466,448 0.616,449 0.354,450 1.583,451 0.202,452 2.681,453 1.118,454 0.202,455 0.294,457 0.548,458 0.181,459 0.798,460 -0.034,461 2.314,462 0.416,463 -0.581,464 -0.745,466 -1.295,467 -0.571,468 12.7,469 0.488,470 0.516,471 0.02,472 36.25,473 1.394,474 20,475 0.769,476 16.25,477 0.625,478 18.52,479 0.712,480 26.3,481 0.612,482 24.974,483 0.961,484 7.36,485 0.283,486 5.381,487 0.207,488 0.066,490 0.315,496 0.751,497 0.935,498 0.704,499 0.819,500 0.601,501 0.794,502 0.972,503 0.996,504 0.832,505 0.86,506 0.694,507 0.841,508 0.893,509 1.296,510 0.936,511 1.19,512 0.929,513 1.078,514 1.218,515 1.146,516 1.068,517 1.043,518 1.365,519 1.051,520 0.907,521 0.923,522 1.011,523 0.946,524 0.842,525 0.932,526 1.043,527 0.959,528 1.175,529 1.066,530 1.36,531 1.021,532 1.169,533 0.901,534 1.399,535 1.099,536 1.426,537 0.904,538 1.396,539 1.104,540 1.169,541 1.152,542 1.769,543 0.994,544 4.5,545 0.09,546 2.667,547 1.479,548 1.193,549 0.768,550 0.43,551 0.328,552 0.137,553 0.151,554 8839,555 24245,556 2.148,557 39.5,559 15,562 2,567 1.687,568 2.053,569 3.515,570 0.251,572 1,577 70.649,578 1.643,579 3.565,580 4.264,581 4.944,582 5.083,583 5.083,584 2.95,585 4.393,586 4.671,587 3.655,588 1187.96,589 8.073,590 15145.8,592 1,594 1,595 233.329,596 1.239,597 4.65,598 0.155,599 0.005,600 0.067,601 0.039,602 0.036,603 0.024,604 0.015,605 0.013,606 0.006,607 0.008,608 0.368,609 0.33,610 1,611 0.646,612 128.747,613 0.002,614 0.113,615 0.057,616 0.071,617 -0.05,618 0.053,619 -0.027,620 0.03,621 0.067,622 0.093,623 -0.009,624 0.051,625 0.014,626 -0.317,627 0.035,628 -0.199,629 -0.018,630 -0.13,631 -0.159,632 -0.137,633 -0.115,634 -0.099,635 -0.16,636 -0.106,637 0.098,638 0.08,639 0.043,640 0.063,641 0.133,642 0.056,643 0.002,644 0.051,645 -0.023,646 0.012,647 -0.025,648 -0.031,649 0.024,650 0.15,651 -0.069,652 0.072,653 0.087,654 0.097,655 -0.132,656 -0.094,657 -0.068,658 -0.115,659 -0.072,660 -0.048,661 1.769,662 5.518,663 0.769,664 25.254,665 1.005,666 1.11,667 2.852,668 8.131,669 0.719,670 3.401,671 3.714,672 4.007,673 4.277,674 4.466,675 4.554,676 4.673,677 4.71,678 4.804,679 4.844,680 6.745,681 0.683,682 363.47,683 3.401,684 4.934,685 5.79,686 6.666,687 7.541,688 8.425,689 9.309,690 10.2,691 11.09,692 11.985,693 7,700 1,701 1,703 1,708 2,709 10,710 1,711 1,713 1,714 5,716 21,723 1,733 1,735 43,737 22,738 2,739 29,741 46,742 20,743 17,744 3,745 9,746 1,748 4,749 5,762 18,763 2,767 1,772 1,776 1,780 1,783 17,784 4,785 2,786 6,787 1,792 3,797 0.75,798 2,807 1,815 2,816 2,818 1,843 3,845 1,847 1,851 26,858 1,860 1,861 1,869 1,874 4.7,877 1,879 1,881 12.667,882 8.033,883 5.778,884 2.392,886 3.821,887 1.508,888 1.029,889 4.823,890 11.347,891 3.726,892 4.357,893 4.999,894 5.627,895 6.128,896 6.477,897 6.898,898 7.167,899 7.543,900 7.827,901 0.875,902 38,903 9.575,905 4.066,906 7.699,907 18.285,909 14.952,911 2.199,912 57.167,915 1,916 176.567,917 162.353,918 51.337,920 36.145,922 31.278,923 131.076,924 212.711,925 51.337,926 10.883,927 20.116,928 94.762,929 46.83,930 41.85,931 4.115,932 207.844,934 176.567,935 182.412,936 36.145,937 31.278,939 176.567,940 36.145,943 37.096,944 128.653,945 16.663,946 31.278,947 176.567,948 87.482,949 162.353,952 176.567,953 56.708,954 105.646,955 34.674,956 52.808,957 176.567,958 87.482,959 162.353,961 0.574,962 0.342,963 0.185,964 0.1,965 20,966 8,967 0.109,968 5,969 1,970 1.1,971 3.936,972 217.025,973 0.1,974 20,975 118.211,977 1,981 16.947,982 7.4,983 3.575,984 1.795,985 70.819,986 19.532,987 4.336,988 3.061,990 1.385,991 4.403,993 34.674,994 426.401,995 40.5,1000 12.518,1004 -0.102,1007 43.222,1008 47.74,1009 0.303,1010 0.657,1011 0.786,1012 0.911,1013 0.937,1014 0.937,1015 4.936,1016 1.259,1017 5.759,1018 3.778,1019 4.394,1020 5.043,1021 1.661,1022 6.561,1023 4.313,1024 6.148,1025 1.19,1026 7.307,1027 3.102,1028 3.892,1029 4.796,1031 7.434,1032 3.776,1033 7.455,1034 1,1035 8.956,1036 2.649,1037 5.974,1038 7.296,1039 1.594,1040 10.548,1041 5.821,1042 8.803,1043 0.963,1044 10.667,1045 2.464,1046 6.347,1047 7.952,1049 12.299,1050 6.146,1051 10.186,1052 0.447,1053 12.418,1054 2.136,1055 7.852,1056 9.868,1057 1.614,1058 14.916,1059 7.625,1060 11.595,1061 0.387,1062 14.198,1063 0.953,1064 8.628,1065 10.959,1067 17.03,1068 8.346,1069 13.024,1070 0.202,1071 15.999,1072 0.616,1073 9.905,1074 12.636,1075 1.674,1076 19.491,1077 9.596,1078 3.214,1079 -0.581,1080 17.816,1081 0.548,1082 10.874,1083 13.946,1085 21.764,1086 10.509,1087 2.754,1088 11.054,1089 19.646,1090 -1.295,1091 12.061,1092 15.524,1093 1.758,1094 24.176,1095 11.664,1096 2.664,1097 8.727,1098 21.486,1099 4.611,1100 13.123,1101 16.943,1103 26.517,1104 12.673,1105 2.354,1106 7.697,1107 23.336,1108 3.673,1109 14.279,1110 18.483,1111 1.859,1112 28.916,1113 13.791,1114 2.064,1115 7.278,1116 25.193,1117 3.612,1118 15.386,1119 19.956,1121 31.289,1122 14.849,1123 1.714,1124 5.833,1125 27.057,1126 3.208,1127 16.534,1128 21.482,1129 1.973,1130 33.686,1131 15.956,1132 1.421,1133 4.597,1134 28.926,1135 2.615,1136 17.665,1137 22.982,1139 36.074,1140 17.039,1141 8319,1142 13926,1143 19.879,1144 30.904,1145 43.558,1146 44.564,1147 44.433,1148 43.196,1149 43.267,1150 59.877,1151 4.827,1152 122.862,1153 41.43,1154 5.527,1155 5.577,1156 6.548,1157 5.324,1158 5.214,1159 7.611,1160 2.162,1161 18.236,1162 5.078,1163 9.345,1164 1.502,1165 1.537,1166 1.532,1167 1.49,1168 1.492,1169 2.065,1170 0.166,1171 4.237,1172 1.429,1173 4.13,1174 4.155,1175 4.357,1176 4.095,1177 7.429,1178 4.061,1179 3.923,1180 3.95,1181 3.862,1182 3.849,1183 5.07,1184 3.847,1185 3.82,1186 3.845,1187 3.822,1188 3.786,1189 4.864,1190 3.76,1191 3.503,1192 3.554,1193 3.461,1194 3.267,1195 4.699,1196 3.299,1197 3.266,1198 3.324,1199 3.234,1200 3.052,1201 4.395,1202 3.047,1203 3.133,1204 3.208,1205 3.053,1206 2.933,1207 4.174,1208 2.927,1209 2.859,1210 2.925,1211 2.844,1212 2.735,1213 3.962,1214 2.725,1215 2.854,1216 2.897,1217 2.687,1218 2.732,1219 3.674,1220 2.715,1221 0.16,1222 0.123,1223 0.233,1224 0.144,1225 0.111,1226 4.653,1227 0.159,1228 3.577,1229 0.037,1230 6.746,1231 0.381,1232 4.169,1233 0.106,1234 3.214,1235 4.611,1236 1.081,1237 11.054,1238 3.078,1239 1.924,1240 1.899,1241 2.031,1242 2.012,1243 1.154,1244 2.017,1245 1.905,1246 1.881,1247 2.02,1248 1.999,1249 1.129,1250 2.008,1251 1.598,1252 1.58,1253 1.686,1254 1.743,1255 0.821,1256 1.73,1257 1.46,1258 1.465,1259 1.59,1260 1.605,1261 0.71,1262 1.588,1263 1.279,1264 1.217,1265 1.516,1266 1.549,1267 0.583,1268 1.528,1269 1.193,1270 1.12,1271 1.322,1272 1.493,1273 0.544,1274 1.511,1275 1.106,1276 1.037,1277 1.212,1278 1.263,1279 0.293,1280 1.304,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.078,1289 5.389,1290 3.045,1291 6.891,1292 5.416,1293 8.477,1294 7.526,1295 10.111,1297 1.628,1303 0.448,1305 2.954,1306 5.209,1314 29.369,1315 70.649,1316 153.281,1317 183.355,1318 212.574,1319 218.574,1320 218.574,1321 36.147,1322 7.526,1323 67.01,1324 95.25,1325 22,1326 12.512,1327 4.524,1328 3.644,1329 38.237,1330 105,1331 104,1332 0.177,1333 183.276,1334 304.21,1335 438.953,1336 19895,1338 17.933,1339 0.69,1340 0.576,1341 18.286,1342 14.969,1343 12.742,1344 0.439,1345 0.311,1346 8.154,1347 11.888,1348 7.876,1349 6.554,1350 13.15,1351 9.005,1352 11.156,1353 0.279,1354 0.171,1355 11.798,1356 6.859,1357 9.766,1358 0.181,1359 0.095,1360 10.606,1361 5.152,1362 8.061,1363 0.114,1364 0.052,1365 8.915,1366 3.711,1367 6.401,1368 0.074,1369 0.029,1370 7.199,1371 2.458,1372 0.282,1373 83.587,1374 0.224,1375 25.418,1376 0.472,1377 138,1378 402.642,1379 174.434,1380 412.73,1381 569.77,1382 388,1383 163,1384 406.066,1385 198.224,1386 430.436,1387 629.07,1388 404,1389 5.6}
{0 CHEMBL1987034,1 1.961,2 13.103,3 3.716,4 13.807,5 112.596,6 10.804,7 0.581,8 3.916,9 4.006,10 3.913,11 3.514,12 5.158,13 3.497,14 4.38,15 4.491,16 4.217,17 3.848,18 5.897,19 3.821,20 4.591,21 4.743,22 4.338,23 3.93,24 5.922,25 3.887,26 4.58,27 4.762,28 4.132,29 3.885,30 5.811,31 3.815,32 4.562,33 4.769,34 4.207,35 3.866,36 5.839,37 3.797,38 4.481,39 4.664,40 4.168,41 3.826,42 5.728,43 3.743,44 4.369,45 4.559,46 4.134,47 3.707,48 5.751,49 3.625,50 4.257,51 4.434,52 4.093,53 3.619,54 5.505,55 3.545,56 0.18,57 0.711,58 5.012,59 3.79,60 26.762,61 3.285,62 0.489,63 1.047,64 9.88,65 6.421,66 71.609,67 6.158,68 0.605,69 1.223,70 22.42,71 7.749,72 64.02,73 7.095,74 0.568,75 1.201,76 21.065,77 8.118,78 60.793,79 8.242,80 0.609,81 1.184,82 22.287,83 7.929,84 59.14,85 8.759,86 0.519,87 1.084,88 28.508,89 7.601,90 67.54,91 7.454,92 0.567,93 0.983,94 22.05,95 6.491,96 58.095,97 6.694,98 0.405,99 0.852,100 24.981,101 6.558,102 37.151,103 6.341,104 32,105 43,106 0.333,107 0.656,108 0.771,109 0.863,110 0.874,111 0.874,112 3.407,113 1.014,114 -2.7,115 -2.71,116 -2.64,117 1,119 40.9,125 1,142 8,144 5,145 1,147 1,150 1,158 1,163 1,164 1,165 1,172 4,174 2,175 2,177 2,178 5,180 4,183 5,187 1,188 8,193 6,196 3,198 2,200 8,203 1,204 1,205 2,210 1,213 8,216 3,217 1,218 2,220 1,221 2,223 1,225 6,230 4,233 2,237 5,238 2,240 2,241 2,243 3,246 2,250 1,253 1,255 1,258 5,263 1,267 3,268 1,271 1,272 7,276 1462,277 19.151,278 19.151,279 19.151,280 19.151,281 19.151,282 16.419,283 27.039,284 11.438,285 19.843,286 15.3,287 15.3,288 15.3,289 15.3,290 15.3,291 11.13,292 42.574,293 5.448,294 16.556,295 3.498,296 1.603,297 0.926,298 0.381,299 0.318,300 0.318,301 4.088,305 1,306 1,307 794,308 3.808,312 310.46,319 2.252,320 37.433,323 1,324 0.67,325 1,326 0.4,328 0.83,329 0.5,330 0.63,331 63.75,332 380,333 4.805,334 4.662,335 7.116,336 4.236,337 3.32,338 4.665,339 2.599,340 11.69,341 3.009,342 4.28,343 4.052,344 6.117,345 3.827,346 2.92,347 3.922,348 0.764,349 9,350 2.649,351 4.021,352 3.2,353 5.554,354 3.589,355 2.636,356 3.618,357 0.4,358 7.608,359 2.501,360 3.894,361 2.897,362 5.459,363 3.457,364 2.512,365 3.429,366 0.4,367 7.256,368 2.353,369 3.554,370 2.756,371 5.121,372 3.12,373 2.186,374 2.847,376 6.349,377 2.031,378 3.466,379 2.493,380 5.018,381 2.942,382 2.031,383 2.703,385 5.939,386 1.811,387 3.377,388 2.21,389 4.469,390 2.485,391 1.509,392 2.163,394 4.328,395 1.464,396 2.982,397 1.837,398 4.169,399 2.381,400 1.471,401 2.019,403 3.763,404 1.324,405 2.827,406 1.64,407 3.491,408 2.286,409 1.369,410 1.941,412 2.646,413 1.208,414 2.613,415 1.572,416 3.447,417 2.108,418 1.113,419 1.657,421 2.542,422 1.105,423 2.5,424 1.178,425 3.414,426 2,427 1,428 1.5,430 2.275,431 1,432 1.99,433 1,434 3.023,435 1.341,436 0.458,437 0.605,439 0.972,440 0.39,441 1.613,442 0.757,443 2.963,444 1.128,445 0.29,446 0.369,448 0.591,449 0.21,450 1.322,451 0.572,452 2.718,453 0.917,459 1.01,460 0.152,461 2.468,462 0.531,463 -0.346,464 -0.443,466 -0.767,467 -0.26,468 14.567,469 0.502,470 0.825,471 0.028,472 44.25,473 1.526,474 25.5,475 0.879,476 18.75,477 0.647,478 20.889,479 0.72,480 29.833,481 0.678,482 32.137,483 1.108,484 8.425,485 0.291,486 5.422,487 0.187,488 0.192,489 0.057,490 0.24,496 0.753,497 1.259,498 0.542,499 0.988,500 0.747,501 0.771,502 0.763,503 1.037,504 0.667,505 0.938,506 0.483,507 0.928,508 1.163,509 1.202,510 0.978,511 1.091,512 0.981,513 1.075,514 1.057,515 1.074,516 0.807,517 0.936,518 0.935,519 1.051,520 0.726,521 0.911,522 0.724,523 0.778,524 0.705,525 0.841,526 1.098,527 1.111,528 1.472,529 1.047,530 1.078,531 1.056,532 0.73,533 0.823,534 1.356,535 0.874,536 0.624,537 0.94,538 0.936,539 0.965,540 1.479,541 1.155,542 0.684,543 0.987,544 7.5,545 0.186,546 2.889,547 1.688,548 1.516,549 0.861,550 0.687,551 0.488,552 0.329,553 0.248,554 11101,555 44124,556 2.005,557 34.1,559 10,561 1,562 4,567 1.717,568 1.861,569 3.653,570 1.766,572 1,577 86.288,578 1.961,579 3.856,580 4.533,581 5.079,582 5.141,583 5.141,584 3.112,585 4.487,586 4.825,587 3.836,588 1557.49,589 8.391,590 21951.4,595 240.215,596 1.573,597 4.772,598 0.242,599 0.008,600 0.067,601 0.04,602 0.041,603 0.023,604 0.02,605 0.015,606 0.011,607 0.009,608 0.477,609 0.17,610 0.75,611 1.206,612 150.008,613 -0.052,614 -0.107,615 0.03,616 -0.055,617 -0.186,618 0.046,619 0.188,620 0.023,621 -0.019,622 -0.052,623 0.291,624 -0.087,625 -0.173,626 -0.188,627 -0.054,628 -0.157,629 -0.105,630 -0.165,631 -0.151,632 -0.106,633 -0.039,634 -0.046,635 -0.116,636 -0.084,637 0.081,638 0.075,639 0.068,640 0.119,641 0.048,642 0.16,643 -0.23,644 -0.143,645 -0.126,646 -0.042,647 -0.214,648 -0.058,649 0.152,650 0.207,651 -0.064,652 0.103,653 0.125,654 0.022,655 -0.041,656 0.006,657 -0.045,658 -0.062,659 0.015,660 0.042,661 4.728,662 4.499,663 0.621,664 32.031,665 1.03,666 1.124,667 1.468,668 2.156,669 0.732,670 3.466,671 3.784,672 3.951,673 4.143,674 4.394,675 4.369,676 4.5,677 4.575,678 4.673,679 4.736,680 7.545,681 0.707,682 475.36,683 3.466,684 5.004,685 5.82,686 6.686,687 7.523,688 8.389,689 9.236,690 10.101,691 10.952,692 11.817,693 13.6,697 1,701 2,702 1,703 2,709 9,710 2,714 7,716 18,728 2,733 1,734 1,735 44,737 21,738 2,739 31,740 1,741 46,742 18,743 16,744 4,745 8,748 3,749 3,761 1,762 16,763 1,767 2,770 1,772 2,783 15,784 9,785 4,786 11,787 2,792 6,797 1,798 3,810 1,816 3,825 1,843 3,845 1,846 1,851 29,852 1,855 1,858 1,860 2,861 1,866 1,870 1,872 1,873 1,874 6.8,877 2,879 1,881 15.583,882 7.743,883 6.361,884 2.212,886 3.639,887 1.494,888 0.995,889 6.677,890 11.01,891 3.807,892 4.413,893 4.858,894 5.368,895 5.939,896 6.043,897 6.423,898 6.758,899 7.156,900 7.501,901 0.889,902 42,903 10.83,905 4.767,906 8.115,907 19.501,909 15.452,911 2.615,912 75.833,916 129.482,917 131.449,918 177.897,920 55.313,922 5.807,923 171.595,924 184.795,925 131.943,927 4.592,928 112.909,929 106.257,930 102.491,931 4.227,932 117.711,933 45.954,934 129.482,935 257.585,936 55.313,937 5.807,938 45.954,939 129.482,940 55.313,943 82.62,944 141.394,945 39.378,946 45.954,947 129.482,948 187.256,949 177.403,951 5.807,952 129.482,953 24.182,954 84.857,955 98.577,956 151.235,957 129.482,958 187.256,959 177.403,961 0.581,962 0.316,963 0.157,964 0.094,965 19,966 9,967 0.152,968 7,970 1,971 4.073,972 239.686,974 18,975 134.881,980 1,981 21.031,982 9.206,983 5.893,985 187.256,986 14.621,987 8.567,991 3.172,993 67.313,994 494.141,995 44,998 -3.811,1000 22.999,1007 45.316,1008 49.456,1009 0.359,1010 0.706,1011 0.83,1012 0.93,1013 0.942,1014 0.942,1015 5.04,1016 1.471,1017 5.832,1018 4.328,1019 4.466,1020 5.1,1021 2.792,1022 6.629,1023 4.313,1024 6.287,1025 1.369,1026 7.392,1027 3.763,1028 4.205,1029 5.121,1031 7.719,1032 3.921,1033 7.627,1034 1.113,1035 9.063,1036 2.646,1037 6.103,1038 7.383,1039 4.534,1040 10.68,1041 5.786,1042 9.004,1043 1,1044 10.802,1045 2.542,1046 6.621,1047 8.197,1049 12.589,1050 6.153,1051 10.412,1052 0.458,1053 12.588,1054 2.275,1055 8.05,1056 9.995,1057 6.427,1058 15.162,1059 7.549,1060 11.845,1061 0.29,1062 14.407,1063 0.972,1064 8.92,1065 11.171,1067 17.4,1068 8.268,1069 13.297,1071 16.252,1072 0.591,1073 10.175,1074 12.795,1075 8.336,1076 19.871,1077 9.472,1078 3.32,1079 -0.346,1080 18.118,1082 11.208,1083 14.148,1085 22.24,1086 10.366,1087 2.92,1088 11.69,1089 20.002,1090 -0.767,1091 12.401,1092 15.704,1093 10.246,1094 24.69,1095 11.489,1096 2.636,1097 9,1098 21.899,1099 4.665,1100 13.511,1101 17.145,1103 27.111,1104 12.472,1105 2.512,1106 7.608,1107 23.807,1108 3.922,1109 14.687,1110 18.678,1111 12.157,1112 29.56,1113 13.564,1114 2.186,1115 7.256,1116 25.726,1117 3.618,1118 15.834,1119 20.164,1121 32.001,1122 14.594,1123 2.031,1124 6.349,1125 27.652,1126 3.429,1127 17.009,1128 21.691,1129 14.067,1130 34.452,1131 15.676,1132 1.509,1133 5.939,1134 29.584,1135 2.847,1136 18.175,1137 23.2,1139 36.902,1140 16.732,1141 10963,1142 22021,1143 20.167,1144 32.205,1145 46.942,1146 50.064,1147 46.595,1148 45.725,1149 45.632,1150 62.879,1151 8.326,1152 129.918,1153 42.108,1154 5.607,1155 6.662,1156 6.98,1157 5.311,1158 5.32,1159 7.665,1160 5.199,1161 18.669,1162 5.009,1163 16.291,1164 1.514,1165 1.615,1166 1.503,1167 1.475,1168 1.472,1169 2.028,1170 0.269,1171 4.191,1172 1.358,1173 4.071,1174 4.064,1175 6.88,1176 4.052,1177 7.726,1178 3.97,1179 3.941,1180 3.964,1181 4.728,1182 3.847,1183 6.999,1184 3.847,1185 3.797,1186 3.828,1187 3.884,1188 3.679,1189 6.819,1190 3.673,1191 3.616,1192 3.614,1193 3.768,1194 3.533,1195 5.027,1196 3.461,1197 3.467,1198 3.517,1199 3.604,1200 3.262,1201 4.832,1202 3.288,1203 3.098,1204 3.169,1205 3.396,1206 2.92,1207 4.826,1208 2.923,1209 2.979,1210 3.045,1211 3.004,1212 2.798,1213 4.664,1214 2.811,1215 2.854,1216 2.925,1217 2.834,1218 2.735,1219 4.338,1220 2.715,1221 0.155,1222 0.15,1223 0.23,1224 0.137,1225 0.107,1226 4.805,1227 0.15,1228 4.662,1229 0.084,1230 7.116,1231 0.377,1232 4.236,1233 0.097,1234 3.32,1235 4.665,1236 2.599,1237 11.69,1238 3.009,1239 1.959,1240 1.962,1241 1.996,1242 2.053,1243 1.152,1244 2.07,1245 1.892,1246 1.867,1247 1.981,1248 2.001,1249 1.071,1250 2.005,1251 1.703,1252 1.671,1253 1.713,1254 1.866,1255 0.782,1256 1.853,1257 1.449,1258 1.474,1259 1.572,1260 1.64,1261 0.626,1262 1.67,1263 1.386,1264 1.338,1265 1.281,1266 1.612,1267 0.519,1268 1.604,1269 1.022,1270 0.959,1271 1.208,1272 1.267,1273 0.261,1274 1.256,1275 0.91,1276 0.853,1277 1.181,1278 1.149,1279 0.218,1280 1.146,1281 0.886,1282 0.821,1283 1.102,1284 1.062,1285 0.148,1286 1.107,1287 4.143,1289 5.46,1291 6.959,1293 8.54,1295 10.161,1296 3.388,1301 5.159,1303 -0.022,1305 6.091,1306 5.218,1312 8.545,1313 1.908,1314 31.119,1315 86.288,1316 169.686,1317 199.46,1318 223.46,1319 226.215,1320 226.215,1321 57.642,1322 7.371,1323 143.02,1324 151.4,1325 18,1326 12.366,1327 4.459,1328 3.807,1329 52.67,1330 130,1331 157,1332 0.195,1333 204.85,1334 351.3,1335 491.595,1336 16517,1337 2.3,1338 20.855,1339 0.719,1340 0.594,1341 22.105,1342 17.236,1343 13.847,1344 0.447,1345 0.338,1346 8.185,1347 11.98,1348 7.859,1349 6.522,1350 15.318,1351 10.482,1352 13.012,1353 0.303,1354 0.188,1355 15.141,1356 8.1,1357 9.714,1358 0.19,1359 0.1,1360 11.217,1361 5.075,1362 7.495,1363 0.121,1364 0.051,1365 8.462,1366 3.131,1367 6.478,1368 0.081,1369 0.028,1370 7.585,1371 2.209,1372 0.314,1373 104.586,1374 0.223,1375 28.01,1376 0.516,1377 148,1378 527.635,1379 264.752,1380 570.529,1381 748.51,1382 522,1383 168,1384 488.713,1385 260.721,1386 542.8,1387 777.47,1388 505,1389 6.9}
{0 CHEMBL1987054,1 1.671,2 16.333,3 5.367,4 28.803,5 150.344,6 7.943,7 0.591,8 4.359,9 4.476,10 3.987,11 3.868,12 5.448,13 3.866,14 4.918,15 5.081,16 4.38,17 4.278,18 5.964,19 4.256,20 5.145,21 5.341,22 4.467,23 4.408,24 6.152,25 4.36,26 5.223,27 5.453,28 4.466,29 4.43,30 6.209,31 4.361,32 5.2,33 5.434,34 4.313,35 4.385,36 6.146,37 4.311,38 5.132,39 5.342,40 4.268,41 4.382,42 6.095,43 4.302,44 5.152,45 5.385,46 4.218,47 4.372,48 6.082,49 4.265,50 5.159,51 5.425,52 4.125,53 4.3,54 6.038,55 4.163,56 0.107,57 1.061,58 13.35,59 5.999,60 12.428,61 7.638,62 0.519,63 1.684,64 27.786,65 10.476,66 36.936,67 13.507,68 0.716,69 2.019,70 39.132,71 12.717,72 52.015,73 17.107,74 0.682,75 2.146,76 43.234,77 13.831,78 60.09,79 19.386,80 0.792,81 2.059,82 45.413,83 12.912,84 63.144,85 18.188,86 0.621,87 1.989,88 37.249,89 12.8,90 52.92,91 17.455,92 0.565,93 1.99,94 38.622,95 13.43,96 53.37,97 18.911,98 0.656,99 1.875,100 44,101 14.55,102 60.175,103 20.893,104 21,105 63,106 0.259,107 0.626,108 0.793,109 0.841,110 0.85,111 0.85,112 3.693,113 0.914,114 -5.65,115 -5.52,116 -5.15,119 40.6,120 1,121 4,124 1,125 2,127 2,142 6,143 3,144 2,146 2,147 1,148 1,152 1,161 1,162 1,163 1,164 1,165 1,166 1,172 9,174 3,175 10,177 1,178 3,180 3,183 11,185 1,187 2,188 13,193 2,196 7,199 2,200 18,202 3,203 3,205 3,208 6,210 1,212 1,213 15,218 5,221 4,223 2,224 1,225 10,228 1,230 6,233 8,235 4,237 1,238 3,241 1,243 2,246 16,248 2,249 3,250 3,253 2,254 1,257 1,258 13,263 4,264 2,266 1,267 1,269 2,272 5,276 3374,277 26.764,278 26.764,279 26.764,280 26.764,281 26.764,282 23.727,283 30.233,284 15.787,285 27.575,286 21.74,287 21.74,288 21.74,289 21.74,290 21.74,291 17.077,292 35.541,293 7.523,294 23.023,295 4.438,296 2.074,297 1,298 0.689,299 0.631,300 0.631,301 4.409,302 1,307 1411,308 3.464,311 180.327,312 466.247,315 345.132,319 2.838,320 36.022,323 0.5,324 0.5,325 0.83,326 0.7,327 0.5,328 0.83,329 1,330 0.7,331 84.833,332 637,333 4.761,334 3.387,335 7.049,336 4.307,337 3.345,338 4.731,339 0.86,340 12.14,341 3.222,342 4.58,343 3.294,344 6.534,345 4.08,346 3.121,347 4.542,348 0.86,349 10.319,350 2.985,351 4.086,352 2.934,353 6.247,354 3.744,355 2.773,356 3.688,357 0.4,358 9.256,359 2.688,360 3.88,361 2.828,362 5.82,363 3.601,364 2.637,365 3.248,367 7.936,368 2.543,369 3.77,370 2.705,371 5.53,372 3.387,373 2.438,374 3.205,376 7.443,377 2.318,378 3.572,379 2.537,380 5.358,381 3.31,382 2.375,383 2.97,385 6.946,386 2.213,387 3.501,388 2.39,389 5.147,390 3.162,391 2.182,392 2.775,394 6.277,395 2.138,396 3.413,397 2.307,398 5.027,399 2.929,400 2.014,401 2.561,403 5.847,404 1.798,405 3.142,406 2.203,407 5.009,408 2.786,409 1.854,410 2.401,412 5.488,413 1.72,414 3.077,415 1.937,416 4.8,417 2.674,418 1.722,419 2.202,421 5.153,422 1.612,423 2.963,424 1.831,425 4.443,426 2.488,427 1.596,428 2.147,430 4.107,431 1.412,432 2.632,433 1.509,434 4.165,435 2.433,436 1.489,437 1.644,439 3.294,440 1.401,441 2.532,442 1.422,443 3.655,444 2.058,445 1.108,446 1.542,448 2.993,449 1.048,450 2.5,451 1.092,452 3.647,453 2,454 1,455 1.5,457 2.406,458 1,459 2.277,460 1.044,461 3.583,462 2,463 1,464 1.222,466 2.275,467 1,468 18.514,469 0.475,470 0.934,471 0.024,472 49.75,473 1.276,474 23,475 0.59,476 26.75,477 0.686,478 38.328,479 0.983,480 42.086,481 0.61,482 39.739,483 1.019,484 9.493,485 0.243,486 9.503,487 0.244,488 0.114,490 0.373,496 0.864,497 1.337,498 0.659,499 1.07,500 0.881,501 0.929,502 1.059,503 1.061,504 0.737,505 0.9,506 0.794,507 0.864,508 1.075,509 1.186,510 0.901,511 0.991,512 0.909,513 0.959,514 0.899,515 1.06,516 0.824,517 0.929,518 0.782,519 0.924,520 1.151,521 0.951,522 1.089,523 0.907,524 1.101,525 0.931,526 1.067,527 1.072,528 0.971,529 1.022,530 1.099,531 1.079,532 0.823,533 1.045,534 0.903,535 1.03,536 1.05,537 1.092,538 0.586,539 0.877,540 0.887,541 0.987,542 0.795,543 1.005,544 7.5,545 0.193,546 4,547 3.174,548 2.487,549 1.446,550 0.847,551 0.636,552 0.431,553 0.369,554 27510,555 74015,556 2.155,557 43.5,558 3,559 15,561 1,562 3,564 8,567 1.792,568 2.035,569 3.908,570 0.799,577 115.269,578 1.671,579 4.034,580 5.108,581 5.42,582 5.478,583 5.478,584 3.468,585 4.856,586 5.248,587 4.126,588 3057.13,589 9.247,590 53107.9,595 421.488,596 1.348,597 5.226,598 0.17,599 0.005,600 0.063,601 0.049,602 0.039,603 0.025,604 0.015,605 0.013,606 0.01,607 0.009,608 0.399,609 0.17,610 0.63,611 1.015,612 220.739,613 -0.035,614 -0.122,615 0.045,616 -0.06,617 -0.066,618 0.007,619 0.025,620 0.037,621 0.074,622 0.082,623 0.101,624 0.075,625 -0.02,626 -0.139,627 0.016,628 -0.017,629 0.028,630 -0.006,631 0.011,632 -0.033,633 0.099,634 0.028,635 0.14,636 0.045,637 -0.161,638 0.072,639 -0.107,640 0.044,641 -0.124,642 0.027,643 -0.147,644 -0.025,645 -0.153,646 -0.058,647 -0.148,648 -0.116,649 -0.06,650 -0.024,651 -0.076,652 -0.062,653 -0.144,654 -0.103,655 0.136,656 0.058,657 0.069,658 0.007,659 0.064,660 0.029,661 1.292,662 2.447,663 0.769,664 55.682,665 1.009,666 1.131,667 4.421,668 19.541,669 0.672,670 3.807,671 4.159,672 4.477,673 4.812,674 5.075,675 5.236,676 5.407,677 5.595,678 5.72,679 5.861,680 9.125,681 0.644,682 548.1,683 3.807,684 5.371,685 6.244,686 7.146,687 8.04,688 8.951,689 9.856,690 10.772,691 11.682,692 12.601,693 10.1,697 1,701 2,703 4,708 4,709 7,710 4,712 1,714 7,715 1,716 26,727 1,728 1,734 1,735 69,737 26,738 2,739 44,741 74,742 28,743 18,744 6,745 6,748 6,749 8,750 1,754 1,757 6,760 6,762 18,763 10,783 30,784 9,785 3,786 11,787 1,792 7,797 0.667,798 3,802 1,807 1,810 1,815 2,816 4,819 2,842 2,843 4,847 2,848 1,851 39,852 1,858 6,860 1,861 2,863 2,873 1,874 4.3,878 2,879 1,881 19.167,882 12.976,883 8.472,884 4.187,886 5.137,887 1.558,888 1.009,889 7.516,890 14.347,891 4.06,892 4.718,893 5.38,894 6.062,895 6.628,896 7.047,897 7.504,898 7.984,899 8.28,900 8.678,901 1,902 65,903 14.4,905 6.203,906 7.631,907 27.761,909 23.27,911 2.131,912 83.111,916 317.82,917 138.08,918 119.704,919 39.149,920 31.507,923 138.08,924 388.476,925 119.704,926 19.708,927 19.323,928 89.755,929 102.506,930 62.607,931 7.164,932 306.049,933 39.149,934 317.82,935 257.784,936 31.507,937 39.149,939 223.651,940 103.676,941 22,943 67.761,944 123.003,945 106.168,947 317.82,948 151.211,949 177.229,952 317.82,953 52.896,954 86.961,955 18.011,956 170.573,957 317.82,958 151.211,959 177.229,961 0.582,962 0.342,963 0.194,964 0.109,965 32,966 14,967 0.108,968 8,969 2,970 1.133,971 4.967,972 398.04,973 0.133,974 30,975 198.131,981 26.173,982 11.199,983 5.379,984 2.786,985 149.435,986 13.167,987 18.349,989 5.833,991 4.845,992 2.018,993 50.908,994 646.26,995 57,1007 69.621,1008 78.043,1009 0.273,1010 0.66,1011 0.836,1012 0.887,1013 0.897,1014 0.897,1015 5.316,1016 2.014,1017 6.236,1018 6.277,1019 4.844,1020 5.407,1021 1.454,1022 7.083,1023 4.743,1024 6.535,1025 1.854,1026 7.811,1027 5.847,1028 4.443,1029 5.308,1031 8.028,1032 4.294,1033 7.859,1034 1.722,1035 9.485,1036 5.488,1037 6.466,1038 7.699,1039 1.175,1040 11.178,1041 6.288,1042 9.222,1043 1.596,1044 11.219,1045 5.153,1046 6.899,1047 8.477,1049 12.997,1050 6.677,1051 10.621,1052 1.489,1053 12.994,1054 4.107,1055 8.386,1056 10.343,1057 0.966,1058 15.673,1059 8.138,1060 12.047,1061 1.108,1062 14.797,1063 3.294,1064 9.213,1065 11.535,1067 17.868,1068 8.922,1069 13.494,1070 1,1071 16.624,1072 2.993,1073 10.494,1074 13.196,1075 0.788,1076 20.395,1077 10.174,1078 3.345,1079 1,1080 18.468,1081 2.406,1082 11.509,1083 14.581,1085 22.753,1086 11.146,1087 3.121,1088 12.14,1089 20.326,1090 2.275,1091 12.713,1092 16.162,1093 0.634,1094 25.237,1095 12.319,1096 2.773,1097 10.319,1098 22.197,1099 4.731,1100 13.817,1101 17.633,1103 27.664,1104 13.381,1105 2.637,1106 9.256,1107 24.078,1108 4.542,1109 14.998,1110 19.186,1111 0.504,1112 30.139,1113 14.528,1114 2.438,1115 7.936,1116 25.968,1117 3.688,1118 16.143,1119 20.694,1121 32.597,1122 15.633,1123 2.375,1124 7.443,1125 27.865,1126 3.248,1127 17.32,1128 22.237,1129 0.395,1130 35.075,1131 16.774,1132 2.182,1133 6.946,1134 29.769,1135 3.205,1136 18.486,1137 23.763,1139 37.549,1140 17.901,1141 25427,1142 41968,1143 29.937,1144 46.398,1145 66.725,1146 67.215,1147 68.569,1148 66.471,1149 66.322,1150 86.506,1151 4.24,1152 195.495,1153 62.625,1154 5.761,1155 5.387,1156 6.959,1157 5.383,1158 5.345,1159 7.731,1160 1.72,1161 19.667,1162 5.222,1163 17.965,1164 1.516,1165 1.528,1166 1.558,1167 1.511,1168 1.507,1169 1.966,1170 0.096,1171 4.443,1172 1.423,1173 4.156,1174 4.2,1175 4.161,1176 4.021,1177 5.27,1178 4.041,1179 4.074,1180 4.092,1181 4.105,1182 3.951,1183 5.235,1184 3.969,1185 3.865,1186 3.904,1187 3.799,1188 3.771,1189 4.881,1190 3.771,1191 3.799,1192 3.843,1193 3.706,1194 3.668,1195 4.739,1196 3.672,1197 3.555,1198 3.603,1199 3.514,1200 3.306,1201 4.702,1202 3.32,1203 3.463,1204 3.509,1205 3.411,1206 3.266,1207 4.647,1208 3.293,1209 3.318,1210 3.399,1211 3.319,1212 3.051,1213 4.494,1214 3.085,1215 3.151,1216 3.221,1217 3.234,1218 2.962,1219 4.439,1220 2.963,1221 0.108,1222 0.077,1223 0.16,1224 0.098,1225 0.076,1226 4.761,1227 0.108,1228 3.387,1229 0.02,1230 7.049,1231 0.276,1232 4.307,1233 0.073,1234 3.345,1235 4.731,1236 0.86,1237 12.14,1238 3.222,1239 1.939,1240 1.914,1241 2.08,1242 2.077,1243 1.477,1244 2.074,1245 1.915,1246 1.9,1247 2.019,1248 2.026,1249 1.139,1250 2.024,1251 1.892,1252 1.842,1253 1.991,1254 1.995,1255 1.137,1256 1.998,1257 1.736,1258 1.694,1259 1.812,1260 1.916,1261 0.993,1262 1.895,1263 1.49,1264 1.44,1265 1.76,1266 1.773,1267 0.901,1268 1.767,1269 1.337,1270 1.292,1271 1.527,1272 1.629,1273 0.825,1274 1.577,1275 1.241,1276 1.194,1277 1.513,1278 1.536,1279 0.739,1280 1.5,1281 1.2,1282 1.129,1283 1.492,1284 1.419,1285 0.587,1286 1.449,1287 4.489,1289 5.832,1290 3.045,1291 7.367,1292 5.476,1293 8.995,1294 7.662,1295 10.674,1297 3.659,1298 6.317,1301 6.339,1303 5.068,1305 3.215,1306 11.05,1308 0.465,1314 44.443,1315 115.269,1316 278.379,1317 352.469,1318 373.978,1319 377.978,1320 377.978,1321 62.525,1322 9.21,1323 126.14,1324 126.14,1325 34,1326 13.112,1327 4.755,1328 3.807,1329 55.385,1330 208,1331 266,1332 0.126,1333 270.676,1334 453.84,1335 652.209,1336 158988,1337 1.4,1338 26.932,1339 0.691,1340 0.58,1341 27.432,1342 22.611,1343 18.996,1344 0.432,1345 0.305,1346 12.841,1347 17.855,1348 12.528,1349 10.318,1350 19.284,1351 13.41,1352 17.321,1353 0.275,1354 0.163,1355 17.692,1356 10.268,1357 14.871,1358 0.171,1359 0.085,1360 15.203,1361 7.428,1362 13.187,1363 0.108,1364 0.045,1365 13.593,1366 5.526,1367 10.787,1368 0.068,1369 0.024,1370 11.01,1371 3.825,1372 0.202,1373 123.04,1374 0.183,1375 35.621,1376 0.332,1377 214,1378 625.281,1379 253.304,1380 626.474,1381 864.49,1382 590,1383 257,1384 633.772,1385 294.617,1386 646.929,1387 957.89,1388 608,1389 6}
{0 CHEMBL1987073,1 1.647,2 13.548,3 4.897,4 23.985,5 120.961,6 8.936,7 0.771,8 4.008,9 4.121,10 3.737,11 3.622,12 5.214,13 3.616,14 4.476,15 4.609,16 4.107,17 4.012,18 5.663,19 3.988,20 4.697,21 4.874,22 4.095,23 4.078,24 5.842,25 4.021,26 4.732,27 4.946,28 3.99,29 3.965,30 5.873,31 3.915,32 4.611,33 4.825,34 3.957,35 3.86,36 5.793,37 3.84,38 4.519,39 4.709,40 4.004,41 3.849,42 5.76,43 3.829,44 4.508,45 4.712,46 3.86,47 3.844,48 5.643,49 3.792,50 4.416,51 4.609,52 3.782,53 3.808,54 5.537,55 3.734,56 0.121,57 0.754,58 6.607,59 3.638,60 8.579,61 4.241,62 0.2,63 1.168,64 11.919,65 6.045,66 15.101,67 7.181,68 0.271,69 1.37,70 20.672,71 8.299,72 32.261,73 9.987,74 0.421,75 1.417,76 24.248,77 8.264,78 46.257,79 9.928,80 0.394,81 1.275,82 20.076,83 7.026,84 46.098,85 8.336,86 0.409,87 1.194,88 17.38,89 6.238,90 41.806,91 7.382,92 0.385,93 1.183,94 17.656,95 6.531,96 32.8,97 7.948,98 0.27,99 1.002,100 15.592,101 6.479,102 30.446,103 8.126,104 5,105 49,106 0.272,107 0.588,108 0.721,109 0.841,110 0.86,111 0.86,112 3.472,113 0.86,114 -5.5,115 -5.38,116 -5.02,119 47.9,125 1,142 12,143 4,144 1,146 2,151 1,153 1,158 1,166 2,168 1,172 14,174 1,175 5,178 1,179 1,180 3,183 16,188 11,191 1,193 5,196 9,200 15,203 1,205 7,208 2,212 1,213 11,218 3,221 4,224 1,225 8,228 2,230 3,233 10,237 2,238 4,241 4,246 15,249 1,250 1,255 1,258 16,263 2,264 6,269 2,272 9,276 1706,277 21.325,278 21.325,279 21.325,280 21.325,281 21.325,282 18.046,283 17.503,284 12.6,285 21.657,286 17.313,287 17.313,288 17.313,289 17.313,290 17.313,291 12.416,292 24.891,293 6.059,294 17.894,295 3.938,296 2.023,297 1.219,298 0.49,299 0.375,300 0.375,301 4.183,302 1,305 1,306 1,307 933,308 3.082,311 156.587,312 293.774,315 130.562,319 2.243,320 24.081,323 0.75,324 1,325 1,326 0.4,328 1,329 1,330 0.74,331 66.333,332 420,333 4.578,334 3.581,335 6.577,336 4.113,337 3.136,338 4.522,339 1.058,340 10.481,341 3.064,342 4.244,343 3.126,344 6.151,345 3.854,346 2.879,347 3.88,348 0.522,349 9.128,350 2.819,351 4.165,352 2.961,353 6.022,354 3.763,355 2.775,356 3.754,358 8.575,359 2.726,360 3.914,361 2.903,362 5.547,363 3.54,364 2.552,365 3.451,367 7.555,368 2.521,369 3.675,370 2.692,371 5.154,372 3.207,373 2.293,374 3.067,376 6.242,377 2.11,378 3.569,379 2.223,380 5.045,381 3.119,382 2.152,383 2.974,385 6.069,386 2.008,387 3.32,388 2.023,389 4.993,390 2.86,391 1.913,392 2.652,394 5.78,395 1.787,396 2.939,397 1.942,398 4.329,399 2.483,400 1.496,401 2.124,403 4.007,404 1.476,405 2.824,406 1.563,407 4.154,408 2.336,409 1.355,410 1.938,412 3.551,413 1.31,414 2.752,415 1.355,416 3.917,417 2.253,418 1.276,419 1.814,421 3.033,422 1.225,423 2.59,424 1.2,425 3.576,426 2.076,427 1.099,428 1.609,430 2.889,431 1.062,432 2.5,433 1,434 3.414,435 2,436 1,437 1.5,439 2.275,440 1,441 2.5,442 1,443 3.281,444 2,445 1,446 1.5,448 2.136,449 1,450 2.207,451 0.822,452 3.247,453 1.709,454 0.729,455 1.067,457 1.742,458 0.713,459 2.089,460 0.676,461 3.237,462 1.596,463 0.608,464 0.889,466 1.509,467 0.598,468 14.948,469 0.482,470 0.691,471 0.022,472 45.75,473 1.476,474 26,475 0.839,476 19.75,477 0.637,478 21.237,479 0.685,480 30.652,481 0.639,482 34.257,483 1.105,484 9.291,485 0.3,486 5.862,487 0.189,488 0.07,490 0.328,496 0.595,497 0.924,498 0.566,499 0.785,500 0.557,501 0.752,502 0.678,503 1.127,504 0.699,505 0.954,506 0.593,507 0.927,508 1.006,509 1.21,510 1.031,511 1.163,512 0.947,513 1.127,514 1.256,515 1.172,516 1.005,517 1.034,518 1.23,519 1.029,520 1.312,521 1.081,522 0.707,523 0.782,524 1.388,525 0.787,526 0.919,527 1.04,528 0.737,529 0.919,530 0.872,531 0.886,532 0.939,533 0.746,534 0.9,535 0.857,536 0.948,537 0.933,538 0.746,539 0.93,540 0.822,541 0.982,542 0.828,543 1.024,544 6,545 0.134,546 3.333,547 1.639,548 1.352,549 1.004,550 0.54,551 0.409,552 0.25,553 0.26,554 14855,555 43892,556 2.18,557 35.4,559 14,560 1,562 2,567 1.734,568 2.09,569 3.713,570 0.225,577 79.04,578 1.647,579 3.562,580 4.366,581 5.095,582 5.21,583 5.21,584 3.232,585 4.632,586 4.921,587 3.868,588 1798.81,589 8.586,590 26220.9,592 1,595 268.078,596 1.215,597 4.907,598 0.171,599 0.005,600 0.068,601 0.036,602 0.033,603 0.024,604 0.013,605 0.011,606 0.008,607 0.008,608 0.378,609 0.17,610 0.75,611 0.415,612 163.088,613 0.101,614 0.175,615 0.026,616 0.059,617 -0.033,618 0.04,619 0.073,620 -0.066,621 -0.017,622 -0.076,623 0.026,624 -0.086,625 -0.097,626 -0.22,627 -0.13,628 -0.211,629 -0.051,630 -0.185,631 -0.146,632 -0.159,633 -0.09,634 -0.086,635 -0.082,636 -0.065,637 -0.133,638 -0.045,639 0.09,640 0.141,641 -0.047,642 0.156,643 0.136,644 0.026,645 0.081,646 -0.019,647 0.15,648 0.013,649 0.026,650 0.305,651 -0.067,652 0.066,653 -0.067,655 0.067,656 0.028,657 0.017,658 -0.004,659 0.037,660 -0.031,661 1.915,662 5.571,663 0.839,664 36.747,665 1.012,666 1.117,667 4.273,668 18.255,669 0.727,670 3.584,671 3.912,672 4.19,673 4.454,674 4.663,675 4.762,676 4.913,677 5.081,678 5.198,679 5.323,680 7.693,681 0.705,682 428.91,683 3.584,684 5.13,685 5.984,686 6.86,687 7.729,688 8.609,689 9.486,690 10.37,691 11.251,692 12.138,693 12.5,700 1,701 2,703 3,708 2,709 13,710 3,711 1,714 6,715 1,716 27,723 1,734 1,735 48,737 28,738 3,739 35,741 52,742 23,743 21,744 6,745 12,746 1,748 5,749 6,750 1,762 22,763 1,767 1,772 1,776 1,783 17,784 5,785 2,786 8,787 1,792 6,797 0.8,798 1,807 1,815 2,816 3,819 1,843 4,848 1,851 31,858 1,860 1,871 1,873 1,874 2.1,877 1,881 14.833,882 8.693,883 6.694,884 2.731,886 4.903,887 1.593,888 1.048,889 5.246,890 13.173,891 3.922,892 4.57,893 5.19,894 5.8,895 6.304,896 6.639,897 7.104,898 7.579,899 7.945,900 8.355,901 1,902 46,903 11.382,905 4.91,906 7.746,907 21.555,909 17.78,911 2.246,912 69.611,915 1,916 176.567,917 152.432,918 86.317,919 39.149,920 25.145,923 152.432,924 240.86,925 86.317,927 20.116,928 122.762,929 79.716,930 41.299,931 11.771,932 164.795,933 39.149,934 176.567,935 238.749,936 25.145,937 39.149,939 176.567,940 25.145,943 45.785,944 143.097,945 89.015,947 176.567,948 111.462,949 191.58,952 176.567,953 29.669,954 124.539,955 34.674,956 114.16,957 176.567,958 111.462,959 191.58,961 0.583,962 0.337,963 0.179,964 0.097,965 25,966 10,967 0.096,968 5,969 1,970 1.077,971 4.408,972 282.404,973 0.077,974 26,975 145.58,981 19.493,982 8.343,983 4.217,984 1.532,985 93.022,986 24.451,987 12.812,988 2.893,991 4.384,992 1.799,993 34.674,994 479.609,995 49.5,1000 12.571,1004 -0.249,1007 48.563,1008 53.634,1009 0.295,1010 0.638,1011 0.782,1012 0.912,1013 0.933,1014 0.933,1015 5.14,1016 1.496,1017 5.958,1018 5.78,1019 4.595,1020 5.257,1021 1.331,1022 6.749,1023 4.535,1024 6.36,1025 1.355,1026 7.501,1027 4.007,1028 4.111,1029 4.997,1031 7.573,1032 3.996,1033 7.666,1034 1.276,1035 9.139,1036 3.551,1037 6.172,1038 7.499,1039 1.297,1040 10.663,1041 6.063,1042 9.009,1043 1.099,1044 10.834,1045 3.033,1046 6.524,1047 8.103,1049 12.332,1050 6.376,1051 10.383,1052 1,1053 12.566,1054 2.889,1055 8.021,1056 10.023,1057 1.348,1058 14.914,1059 7.872,1060 11.78,1061 1,1062 14.325,1063 2.275,1064 8.76,1065 11.05,1067 16.94,1068 8.582,1069 13.194,1070 0.729,1071 16.102,1072 2.136,1073 10.025,1074 12.721,1075 1.425,1076 19.347,1077 9.838,1078 3.136,1079 0.608,1080 17.894,1081 1.742,1082 10.952,1083 13.969,1085 21.533,1086 10.74,1087 2.879,1088 10.481,1089 19.698,1090 1.509,1091 12.12,1092 15.529,1093 1.51,1094 23.88,1095 11.894,1096 2.775,1097 9.128,1098 21.511,1099 4.522,1100 13.14,1101 16.895,1103 26.14,1104 12.89,1105 2.552,1106 8.575,1107 23.331,1108 3.88,1109 14.269,1110 18.409,1111 1.599,1112 28.469,1113 14.002,1114 2.293,1115 7.555,1116 25.158,1117 3.754,1118 15.336,1119 19.837,1121 30.766,1122 15.045,1123 2.152,1124 6.242,1125 26.991,1126 3.451,1127 16.452,1128 21.335,1129 1.69,1130 33.093,1131 16.141,1132 1.913,1133 6.069,1134 28.828,1135 3.067,1136 17.543,1137 22.796,1139 35.409,1140 17.209,1141 13680,1142 23709,1143 24.156,1144 34.915,1145 53.304,1146 53.868,1147 53.292,1148 52.76,1149 52.525,1150 73.478,1151 3.16,1152 149.942,1153 50.835,1154 5.413,1155 5.581,1156 6.379,1157 5.154,1158 5.136,1159 7.522,1160 2.117,1161 17.286,1162 5.064,1163 10.665,1164 1.523,1165 1.539,1166 1.523,1167 1.507,1168 1.501,1169 2.099,1170 0.09,1171 4.284,1172 1.452,1173 4.131,1174 4.173,1175 4.106,1176 4.021,1177 7.429,1178 4.035,1179 3.95,1180 4.001,1181 3.99,1182 3.858,1183 5.14,1184 3.854,1185 3.91,1186 3.93,1187 3.895,1188 3.853,1189 5.027,1190 3.849,1191 3.772,1192 3.829,1193 3.729,1194 3.567,1195 4.929,1196 3.605,1197 3.42,1198 3.475,1199 3.5,1200 3.217,1201 4.736,1202 3.244,1203 3.222,1204 3.26,1205 3.265,1206 3.036,1207 4.331,1208 3.053,1209 3.039,1210 3.104,1211 2.985,1212 2.907,1213 4.279,1214 2.901,1215 2.864,1216 2.925,1217 2.882,1218 2.735,1219 3.897,1220 2.724,1221 0.131,1222 0.102,1223 0.188,1224 0.118,1225 0.09,1226 4.578,1227 0.129,1228 3.581,1229 0.03,1230 6.577,1231 0.299,1232 4.113,1233 0.088,1234 3.136,1235 4.522,1236 1.058,1237 10.481,1238 3.064,1239 1.951,1240 1.931,1241 2.046,1242 2.029,1243 1.185,1244 2.033,1245 1.912,1246 1.883,1247 2.014,1248 2.006,1249 1.151,1250 2.012,1251 1.889,1252 1.87,1253 1.973,1254 1.965,1255 1.07,1256 1.973,1257 1.464,1258 1.408,1259 1.617,1260 1.74,1261 0.76,1262 1.691,1263 1.418,1264 1.348,1265 1.535,1266 1.695,1267 0.549,1268 1.67,1269 1.214,1270 1.154,1271 1.336,1272 1.452,1273 0.431,1274 1.407,1275 1.055,1276 1.035,1277 1.181,1278 1.305,1279 0.218,1280 1.26,1281 0.886,1282 0.821,1283 1.181,1284 1.071,1285 0.218,1286 1.107,1287 4.263,1289 5.587,1290 3.045,1291 7.094,1292 5.352,1293 8.68,1294 7.402,1295 10.308,1298 5.899,1303 0.643,1305 2.876,1314 33.832,1315 79.04,1316 170.953,1317 209.549,1318 244.568,1319 250.078,1320 250.078,1321 44.388,1322 8.27,1323 88.49,1324 88.49,1325 28,1326 12.67,1327 4.858,1328 3.954,1329 43.78,1330 142,1331 145,1332 0.148,1333 209.466,1334 345.84,1335 502.857,1336 52045,1337 2.1,1338 21.209,1339 0.684,1340 0.55,1341 21.709,1342 17.044,1343 15.153,1344 0.433,1345 0.287,1346 9.566,1347 14.361,1348 9.357,1349 7.746,1350 15.442,1351 10.029,1352 13.746,1353 0.281,1354 0.153,1355 14.155,1356 7.515,1357 11.782,1358 0.181,1359 0.08,1360 12.071,1361 5.173,1362 9.776,1363 0.115,1364 0.041,1365 9.943,1366 3.456,1367 7.791,1368 0.074,1369 0.022,1370 8.005,1371 2.328,1372 0.237,1373 97.508,1374 0.203,1375 29.542,1376 0.394,1377 168,1378 491.185,1379 196.863,1380 516.657,1381 707.1,1382 482,1383 198,1384 516.663,1385 222.907,1386 533.529,1387 773.33,1388 502,1389 5.5}
{0 CHEMBL1987261,1 1.53,2 9.261,3 2.42,4 5.856,5 91.232,6 7.289,7 0.64,8 3.857,9 4.002,10 3.395,11 3.367,12 4.987,13 3.349,14 4.373,15 4.568,16 3.772,17 3.774,18 5.485,19 3.732,20 4.629,21 4.842,22 3.782,23 3.91,24 5.657,25 3.825,26 4.812,27 5.113,28 3.683,29 3.872,30 5.774,31 3.755,32 4.618,33 4.895,34 3.627,35 3.739,36 5.61,37 3.647,38 4.461,39 4.697,40 3.636,41 3.622,42 5.672,43 3.575,44 4.408,45 4.652,46 3.513,47 3.544,48 5.616,49 3.475,50 4.332,51 4.579,52 3.217,53 3.41,54 5.568,55 3.313,56 0.044,57 0.741,58 9.14,59 3.555,60 9.81,61 4.995,62 0.218,63 1.157,64 16.648,65 6.156,66 30.801,67 8.79,68 0.131,69 1.373,70 21.965,71 7.935,72 26.599,73 11.514,74 0.46,75 1.397,76 29.907,77 8.54,78 57.366,79 13.437,80 0.245,81 1.257,82 24.07,83 7.7,84 39.063,85 11.326,86 0.388,87 1.235,88 20.071,89 5.958,90 49.485,91 8.288,92 0.309,93 1.164,94 19.149,95 6.197,96 44.338,97 8.473,98 0.401,99 1.049,100 18.659,101 5.832,102 70.02,103 7.44,104 21,105 36,106 0.267,107 0.652,108 0.803,109 0.852,110 0.852,111 0.852,112 3.189,113 0.903,114 -3.87,115 -3.83,116 -3.63,119 39.5,120 2,123 1,125 2,142 4,143 3,145 1,147 2,151 1,161 1,163 1,164 1,165 1,172 8,175 4,178 2,180 5,183 7,185 1,188 3,193 7,196 4,198 2,200 3,204 1,205 5,207 1,208 4,213 5,218 1,221 5,225 1,227 1,228 2,229 1,230 2,233 4,235 1,237 1,238 1,241 1,243 2,246 5,248 1,255 3,258 3,260 2,264 1,269 3,272 3,274 1,276 710,277 15.248,278 15.248,279 15.248,280 15.248,281 15.248,282 13.406,283 11.114,284 8.763,285 15.563,286 12.259,287 12.259,288 12.259,289 12.259,290 12.259,291 9.469,292 16.949,293 4.09,294 12.796,295 3.896,296 1.691,297 0.826,298 0.547,299 0.547,300 0.547,301 3.865,304 1,305 1,306 1,307 452,308 3.464,311 46.555,312 131.98,315 88.521,319 1.49,320 22.365,321 1,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 50,332 213,333 4.6,334 3.228,335 6.715,336 4.176,337 3.186,338 4.535,339 0.4,340 10.928,341 3.159,342 4.201,343 3.179,344 6.69,345 4.144,346 3.159,347 3.814,349 10.767,350 3.111,351 4.114,352 2.937,353 5.853,354 3.658,355 2.713,356 3.179,358 8.267,359 2.565,360 3.557,361 2.419,362 5.358,363 3.134,364 2.187,365 2.937,367 6.772,368 2.062,369 3.29,370 2.249,371 4.794,372 2.873,373 1.965,374 2.538,376 5.392,377 1.766,378 3.046,379 1.547,380 4.503,381 2.513,382 1.547,383 2.319,385 4.24,386 1.492,387 2.921,388 1.476,389 4.006,390 2.396,391 1.442,392 2.118,394 3.449,395 1.369,396 2.526,397 1.062,398 3.594,399 2,400 1.033,401 1.539,403 2.563,404 0.996,405 1.975,406 0.963,407 3.562,408 1.663,409 0.732,410 0.791,412 1.667,413 0.68,414 1.826,415 0.627,416 3.094,417 1.43,418 0.487,419 0.713,421 1.174,422 0.458,423 1.37,424 0.489,425 2.906,426 1.27,427 0.34,428 0.348,430 0.479,431 0.316,432 0.957,433 0.191,434 2.582,435 0.51,436 -0.387,437 -0.491,439 -0.993,440 -0.333,441 0.842,442 -0.437,443 2.524,444 0.428,445 -0.526,446 -0.671,448 -1.516,449 -0.5,450 0.667,451 -0.663,452 2.134,453 0.16,454 -0.777,455 -0.954,457 -1.971,458 -0.719,459 0.564,460 -0.843,461 2,462 0.104,463 -0.854,464 -1,466 -2.148,467 -0.824,468 10.786,469 0.469,470 0.69,471 0.03,472 29.5,473 1.283,474 14.5,475 0.63,476 15,477 0.652,478 18.641,479 0.81,480 25.214,481 0.586,482 20.485,483 0.891,484 5.707,485 0.248,486 5.276,487 0.229,488 0.156,489 0.046,490 0.278,495 1,496 0.791,497 1.179,498 0.822,499 1.038,500 0.716,501 0.945,502 0.609,503 0.887,504 0.761,505 0.909,506 0.531,507 0.869,508 0.798,509 1.272,510 1.042,511 1.317,512 0.715,513 1.244,514 0.788,515 0.686,516 0.85,517 0.719,518 0.708,519 0.769,520 0.979,521 1.055,522 0.801,523 0.9,524 0.954,525 0.835,526 1.493,527 1.177,528 1.122,529 1.006,530 1.616,531 1.001,532 1.359,533 1.266,534 1.062,535 1.124,536 1.49,537 1.065,538 2.294,539 1.396,540 1.496,541 1.151,542 2.628,543 1.199,544 6,545 0.082,546 2.667,547 1.507,548 1.241,549 0.583,550 0.66,551 0.359,552 0.215,553 0.18,554 5320,555 13841,556 2.031,557 46.5,558 6,559 8,560 1,561 1,562 4,567 1.659,568 1.878,569 3.181,570 1.822,571 1,572 1,574 1,577 65.794,578 1.53,579 3.735,580 4.6,581 4.88,582 4.88,583 4.88,584 2.666,585 4.263,586 4.496,587 3.337,588 844.158,589 7.75,590 9524.41,592 1,594 1,595 233.329,596 1.631,597 4.433,598 0.24,599 0.008,600 0.074,601 0.044,602 0.041,603 0.02,604 0.024,605 0.015,606 0.013,607 0.013,608 0.492,609 0.17,610 1,611 1.422,612 107.001,613 -0.095,614 -0.068,615 0.02,616 0.034,617 -0.106,618 0.05,619 0.134,620 0.144,621 0.129,622 0.129,623 0.124,624 0.127,625 -0.055,626 -0.288,627 -0.142,628 -0.288,629 -0.027,630 -0.244,631 0.028,632 0.127,633 0.141,634 0.198,635 0.023,636 0.198,637 -0.012,638 -0.114,639 0.192,640 0.085,641 0.015,642 0.161,643 -0.02,644 0.042,645 -0.095,646 -0.051,647 -0.108,648 -0.083,649 0.049,650 -0.078,651 -0.037,652 -0.13,653 0.046,654 -0.109,655 -0.284,656 0.06,657 -0.394,658 -0.123,659 -0.238,660 -0.253,661 2.186,662 5.92,663 0.652,664 17.951,665 1.002,666 1.143,667 2.639,668 6.963,669 0.652,670 3.258,671 3.611,672 3.829,673 4.078,674 4.29,675 4.369,676 4.511,677 4.605,678 4.595,679 4.585,680 5.565,681 0.621,682 313.42,683 3.258,684 4.812,685 5.652,686 6.544,687 7.405,688 8.3,689 9.172,690 10.068,691 10.946,692 11.842,693 11.6,694 1,698 1,701 1,703 2,708 2,709 6,710 2,711 1,714 4,716 16,728 1,734 1,735 43,737 16,739 25,741 45,742 17,743 12,748 3,749 4,754 3,755 1,762 12,763 5,779 1,780 1,781 1,783 20,784 5,785 4,786 6,792 5,797 0.667,809 2,811 1,815 1,816 2,819 1,836 1,843 2,847 2,849 1,851 23,852 1,858 2,860 1,865 1,873 1,881 12.25,882 8.126,883 5,884 2.412,886 3.208,887 1.459,888 0.984,889 4.225,890 10.192,891 3.526,892 4.171,893 4.77,894 5.409,895 5.952,896 6.311,897 6.763,898 7.206,899 7.409,900 7.753,901 1,902 34,903 8.491,905 3.602,906 7.815,907 16.105,909 13.187,911 2.315,912 53.25,915 1,916 188.338,917 99.541,918 101.265,921 14.96,923 99.541,924 188.338,925 116.225,926 17.65,927 37.109,928 46.952,929 65.068,930 49.737,931 22.791,932 164.795,934 188.338,935 200.806,936 14.96,939 188.338,941 14.96,943 82.307,944 66.917,945 51.582,947 203.298,948 101.265,949 99.541,952 188.338,953 25.891,954 73.65,955 34.796,956 81.428,957 188.338,958 116.225,959 99.541,961 0.59,962 0.332,963 0.167,964 0.092,965 18,966 8,967 0.111,968 5,969 1,970 1.133,971 3.457,972 183.25,973 0.133,974 15,975 102.042,981 15.754,982 6.168,983 3.453,984 1.727,985 99.439,986 10.634,987 8.174,988 3.1,991 1.633,993 67.693,994 404.103,995 33,1007 43.091,1008 49.153,1009 0.282,1010 0.688,1011 0.848,1012 0.899,1013 0.899,1014 0.899,1015 4.771,1016 1.033,1017 5.687,1018 3.449,1019 4.29,1020 4.856,1021 0.278,1022 6.535,1023 4.213,1024 6.014,1025 0.732,1026 7.277,1027 2.563,1028 4.111,1029 4.783,1031 7.735,1032 4.034,1033 7.35,1034 0.487,1035 8.973,1036 1.667,1037 5.984,1038 7.129,1039 0.05,1040 10.693,1041 5.864,1042 8.722,1043 0.34,1044 10.732,1045 1.174,1046 6.581,1047 7.854,1049 12.647,1050 6.474,1051 10.123,1052 -0.387,1053 12.529,1054 0.479,1055 7.987,1056 9.712,1057 0.008,1058 15.204,1059 7.848,1060 11.544,1061 -0.526,1062 14.353,1063 -0.993,1064 8.903,1065 10.829,1067 17.425,1068 8.775,1069 12.98,1070 -0.777,1071 16.194,1072 -1.516,1073 10.142,1074 12.48,1075 0.001,1076 19.863,1077 9.993,1078 3.186,1079 -0.854,1080 18.048,1081 -1.971,1082 11.192,1083 13.795,1085 22.182,1086 11.046,1087 3.159,1088 10.928,1089 19.912,1090 -2.148,1091 12.372,1092 15.357,1094 24.583,1095 12.211,1096 2.713,1097 10.767,1098 21.783,1099 4.535,1100 13.478,1101 16.77,1103 26.94,1104 13.315,1105 2.187,1106 8.267,1107 23.66,1108 3.814,1109 14.636,1110 18.295,1112 29.329,1113 14.461,1114 1.965,1115 6.772,1116 25.541,1117 3.179,1118 15.767,1119 19.756,1121 31.701,1122 15.586,1123 1.547,1124 5.392,1125 27.426,1126 2.937,1127 16.918,1128 21.266,1130 34.086,1131 16.728,1132 1.442,1133 4.24,1134 29.314,1135 2.538,1136 18.06,1137 22.751,1139 36.465,1140 17.862,1141 5275,1142 8651,1143 16.296,1144 28.057,1145 37.811,1146 38.13,1147 38.79,1148 37.57,1149 37.581,1150 49.661,1151 0.8,1152 111.394,1153 35.948,1154 5.465,1155 5.228,1156 6.396,1157 5.221,1158 5.186,1159 7.535,1160 0.8,1161 18.108,1162 5.107,1163 12.042,1164 1.512,1165 1.525,1166 1.552,1167 1.503,1168 1.503,1169 1.986,1170 0.032,1171 4.456,1172 1.438,1173 4.13,1174 4.168,1175 4.098,1176 4.029,1177 8.203,1178 4.041,1179 3.862,1180 3.919,1181 3.808,1182 3.718,1183 5.073,1184 3.729,1185 3.74,1186 3.794,1187 3.627,1188 3.618,1189 5.008,1190 3.615,1191 3.368,1192 3.433,1193 3.271,1194 3.215,1195 4.755,1196 3.221,1197 3.168,1198 3.282,1199 3.024,1200 2.899,1201 4.35,1202 2.915,1203 3.058,1204 3.177,1205 2.853,1206 2.758,1207 4.207,1208 2.752,1209 2.9,1210 3.009,1211 2.811,1212 2.669,1213 3.938,1214 2.703,1215 2.874,1216 2.965,1217 2.599,1218 2.618,1219 3.792,1220 2.57,1221 0.184,1222 0.129,1223 0.269,1224 0.167,1225 0.127,1226 4.6,1227 0.181,1228 3.228,1229 0.016,1230 6.715,1231 0.437,1232 4.176,1233 0.126,1234 3.186,1235 4.535,1236 0.4,1237 10.928,1238 3.159,1239 1.931,1240 1.906,1241 2.027,1242 2.041,1243 1.298,1244 2.034,1245 1.811,1246 1.762,1247 1.98,1248 1.978,1249 1.123,1250 1.978,1251 1.74,1252 1.691,1253 1.858,1254 1.904,1255 0.901,1256 1.901,1257 1.391,1258 1.325,1259 1.546,1260 1.631,1261 0.586,1262 1.614,1263 1.107,1264 1.013,1265 1.458,1266 1.452,1267 0.484,1268 1.462,1269 1.043,1270 0.94,1271 1.417,1272 1.35,1273 0.477,1274 1.372,1275 0.982,1276 0.91,1277 1.386,1278 1.239,1279 0.469,1280 1.308,1281 0.934,1282 0.804,1283 1.157,1284 1.153,1285 0.272,1286 1.154,1287 3.932,1289 5.273,1290 2.398,1291 6.799,1292 4.727,1293 8.404,1294 6.843,1295 10.052,1297 4.094,1299 13.92,1301 5.724,1303 1.158,1305 3.17,1310 -0.084,1314 26.705,1315 65.794,1316 160.6,1317 197.82,1318 209.82,1319 209.82,1320 209.82,1321 39.321,1322 6.985,1323 79.62,1324 79.62,1325 17,1326 12.37,1327 4.087,1328 3.17,1329 36.775,1330 76,1331 77,1332 0.24,1333 166.338,1334 275.47,1335 397.625,1336 9200,1337 2.3,1338 16.449,1339 0.715,1340 0.575,1341 15.579,1342 13.228,1343 10.982,1344 0.439,1345 0.301,1346 7.416,1347 10.564,1348 7.162,1349 6.014,1350 10.588,1351 7.524,1352 10.444,1353 0.29,1354 0.177,1355 9.799,1356 6.388,1357 8.257,1358 0.183,1359 0.086,1360 8.004,1361 3.857,1362 6.524,1363 0.112,1364 0.04,1365 6.12,1366 2.34,1367 5.266,1368 0.073,1369 0.022,1370 5.026,1371 1.559,1372 0.37,1373 68.884,1374 0.248,1375 22.382,1376 0.674,1377 122,1378 367.379,1379 134.045,1380 338.749,1381 461.4,1382 316,1383 142,1384 341.7,1385 153.403,1386 345.184,1387 503.47,1388 323,1389 6}
{0 CHEMBL1987359,1 1.515,2 11.308,3 1.972,4 3.887,5 102.75,6 6.97,7 0.393,8 4.012,9 4.14,10 3.506,11 3.519,12 5.078,13 3.491,14 4.568,15 4.758,16 3.84,17 3.919,18 5.585,19 3.86,20 4.852,21 5.087,22 4.012,23 4.085,24 5.88,25 4.018,26 4.879,27 5.089,28 4.025,29 4.082,30 6.075,31 4.025,32 4.867,33 5.086,34 3.91,35 4.037,36 5.996,37 3.955,38 4.807,39 5.037,40 3.736,41 3.962,42 5.871,43 3.844,44 4.733,45 4.965,46 3.603,47 3.88,48 5.737,49 3.757,50 4.664,51 4.895,52 3.503,53 3.751,54 5.871,55 3.626,56 0.038,57 0.738,58 11.374,59 4.665,60 9.768,61 6.417,62 0.252,63 1.182,64 21.231,65 7.644,66 24.761,67 11.009,68 0.313,69 1.444,70 29.365,71 10.12,72 40.099,73 14.679,74 0.398,75 1.451,76 30.311,77 10.006,78 79.926,79 14.265,80 0.408,81 1.411,82 30.106,83 9.92,84 64.46,85 14.233,86 0.451,87 1.293,88 28.454,89 9.988,90 62.711,91 14.15,92 0.262,93 1.192,94 26.298,95 9.289,96 51.917,97 13.159,98 0.488,99 1.074,100 25.071,101 8.239,102 95.336,103 11.768,104 34,105 38,106 0.256,107 0.585,108 0.765,109 0.87,110 0.883,111 0.89,112 3.305,113 0.981,114 -3.52,115 -3.5,116 -3.34,119 39.2,120 1,121 2,125 5,142 5,143 4,144 1,158 2,172 11,174 2,175 4,180 3,183 12,188 7,191 1,192 1,193 4,196 9,199 1,200 9,205 4,208 7,213 5,216 2,218 3,221 7,225 2,228 4,230 3,233 8,243 3,246 7,250 3,253 2,255 3,258 4,264 3,268 1,269 3,272 1,276 984,277 17.949,278 17.949,279 17.949,280 17.949,281 17.949,282 16.543,283 19.67,284 11.066,285 18.192,286 13.748,287 13.748,288 13.748,289 13.748,290 13.748,291 11.396,292 25.315,293 5.147,294 14.097,295 4.158,296 2.21,297 1.144,298 0.525,299 0.446,300 0.407,301 3.989,304 1,305 1,306 1,307 610,308 3.606,312 161.065,316 275.483,318 114.419,319 2.071,320 32.187,322 1,323 1,324 1,325 0.83,326 1,327 1,328 1,329 1,330 0.98,331 56.5,332 294,333 4.776,334 3.928,335 7.134,336 4.386,337 3.393,338 4.701,339 1.349,340 12.41,341 3.369,342 4.139,343 3.336,344 6.411,345 3.8,346 2.826,347 3.574,348 0.8,349 9.726,350 2.748,351 3.802,352 3.106,353 5.947,354 3.442,355 2.424,356 3.199,357 0.4,358 8.033,359 2.461,360 3.513,361 2.425,362 5.718,363 3.185,364 2.221,365 2.764,366 0.4,367 7.427,368 2.134,369 3.058,370 2.145,371 4.633,372 2.729,373 1.777,374 2.248,376 4.513,377 1.697,378 2.812,379 1.862,380 4.033,381 2.634,382 1.669,383 1.931,385 3.464,386 1.599,387 2.757,388 1.812,389 3.873,390 2.528,391 1.527,392 1.766,394 3.139,395 1.524,396 2.668,397 1.733,398 3.739,399 2.301,400 1.301,401 1.671,403 3.068,404 1.299,405 2.374,406 1.394,407 3.559,408 2.101,409 1.136,410 1.253,412 2.255,413 1.086,414 2.267,415 1.334,416 3.445,417 1.938,418 0.939,419 1.194,421 2.155,422 0.93,423 1.828,424 1.218,425 2.975,426 1.62,427 0.618,428 0.732,430 1.197,431 0.616,432 1.714,433 0.876,434 2.932,435 1.446,436 0.49,437 0.55,439 0.948,440 0.46,441 1.289,442 0.484,443 2.556,444 0.97,445 -0.025,446 -0.029,448 -0.048,449 -0.024,450 1,451 0.184,452 2.405,453 0.806,454 -0.145,455 -0.161,457 -0.265,458 -0.137,459 0.936,460 -0.249,461 2.318,462 0.489,463 -0.506,464 -0.615,466 -0.989,467 -0.502,468 12.2,469 0.469,470 0.487,471 0.019,472 30,473 1.154,474 13.5,475 0.519,476 16.5,477 0.635,478 22.709,479 0.873,480 29.2,481 0.573,482 23.736,483 0.913,484 5.869,485 0.226,486 6.816,487 0.262,488 0.123,490 0.32,496 0.8,497 1.359,498 0.87,499 1.125,500 0.651,501 1.02,502 0.761,503 1.104,504 0.928,505 0.995,506 0.64,507 0.979,508 0.782,509 0.892,510 0.74,511 0.833,512 0.719,513 0.778,514 1.13,515 1.08,516 0.934,517 0.975,518 1.156,519 0.926,520 1.122,521 1.094,522 1.042,523 1.05,524 1.178,525 1.035,526 0.922,527 1.006,528 1.064,529 1.089,530 1.104,531 1.108,532 1.067,533 1.134,534 1.113,535 1.168,536 1.217,537 1.158,538 1.079,539 1.078,540 1.169,541 1.129,542 1.171,543 1.162,544 3,545 0.07,546 2.889,547 2.188,548 1.964,549 0.979,550 0.647,551 0.417,552 0.258,553 0.168,554 7048,555 17719,556 2.037,557 49,558 5,559 15,562 3,564 2,567 1.694,568 1.902,569 3.378,570 0.936,571 1,572 1,577 77.249,578 1.515,579 3.463,580 4.528,581 5.148,582 5.226,583 5.265,584 3.013,585 4.287,586 4.651,587 3.528,588 1146.57,589 8.091,590 13868.6,592 1,594 1,595 289.294,596 1.42,597 4.628,598 0.107,599 0.006,600 0.076,601 0.049,602 0.045,603 0.026,604 0.021,605 0.015,606 0.011,607 0.01,608 0.365,609 0.33,610 1,611 1.916,612 126.075,613 -0.075,614 -0.095,615 0.023,616 0.013,617 -0.057,618 0.03,619 0.029,620 0.059,621 0.004,622 0.05,623 -0.01,624 0.027,625 0.056,626 0.154,627 0.22,628 0.169,629 0.052,630 0.218,631 -0.016,632 -0.037,633 0.054,634 0.023,635 0.054,636 0.05,637 -0.04,638 -0.062,639 -0.057,640 -0.061,641 -0.039,642 -0.063,643 0.062,644 -0.012,645 -0.093,646 -0.085,647 -0.045,648 -0.117,649 -0.111,650 -0.157,651 -0.148,652 -0.154,653 -0.141,654 -0.159,655 0.071,656 -0.116,657 -0.173,658 -0.149,659 0.096,660 -0.192,661 1.926,662 5.857,663 0.5,664 29.03,665 1,666 1.131,667 2.293,668 5.257,669 0.642,670 3.367,671 3.664,672 4.007,673 4.331,674 4.644,675 4.812,676 4.984,677 5.124,678 5.247,679 5.204,680 6.143,681 0.608,682 355.48,683 3.367,684 4.89,685 5.759,686 6.653,687 7.557,688 8.473,689 9.394,690 10.321,691 11.25,692 12.182,693 5.9,695 1,698 1,700 1,708 2,709 5,714 3,716 11,728 1,735 51,737 13,738 2,739 28,741 53,742 20,743 10,744 5,745 5,746 2,748 3,749 7,754 2,760 2,762 12,763 8,767 2,772 2,776 2,779 1,780 1,783 25,784 6,785 3,786 6,792 3,794 1,797 0.333,798 3,799 1,816 3,820 3,822 1,838 1,841 1,843 1,847 1,851 26,857 1,858 7,860 2,864 1,874 5.9,875 1,877 2,881 13.667,882 9.15,883 6.056,884 3.363,886 2.541,887 1.338,888 0.952,889 6.121,890 10.055,891 3.597,892 4.151,893 4.82,894 5.478,895 6.107,896 6.512,897 6.944,898 7.323,899 7.707,900 7.82,901 1,902 45,903 9.709,905 4.14,906 7.853,907 18.516,909 15.166,911 2.353,912 61.167,916 258.964,917 93.381,918 39.146,920 92.973,923 93.381,924 351.937,925 39.146,926 8.825,927 16.616,928 108.075,929 77.71,930 14.274,932 258.964,934 258.964,935 132.527,936 92.973,939 235.422,940 73.832,941 42.683,943 43.452,944 71.064,945 18.011,947 258.964,948 132.119,949 93.381,952 258.964,953 37.175,954 59.331,955 36.022,956 92.973,957 258.964,958 132.119,959 93.381,961 0.557,962 0.338,963 0.193,964 0.112,965 17,966 8,967 0.17,968 9,969 3,970 1.385,971 3.685,972 220.304,973 0.462,974 12,975 116.211,981 18.68,982 8.519,983 3.72,984 1.652,985 132.119,986 9.332,991 2.092,993 78.705,994 484.465,995 35.5,1000 25.713,1004 -0.519,1007 51.007,1008 57.69,1009 0.267,1010 0.61,1011 0.798,1012 0.908,1013 0.921,1014 0.928,1015 4.826,1016 1.301,1017 5.733,1018 3.139,1019 4.344,1020 4.836,1021 1.863,1022 6.605,1023 4.307,1024 6.012,1025 1.136,1026 7.324,1027 3.068,1028 3.892,1029 4.718,1030 0.325,1031 7.667,1032 3.866,1033 7.326,1034 0.939,1035 9.032,1036 2.255,1037 5.964,1038 7.081,1039 2.042,1040 10.871,1041 5.901,1042 8.69,1043 0.618,1044 10.811,1045 2.155,1046 6.431,1047 7.895,1048 0.931,1049 12.791,1050 6.383,1051 10.098,1052 0.49,1053 12.633,1054 1.197,1055 7.936,1056 9.73,1057 2.4,1058 15.524,1059 7.86,1060 11.538,1061 -0.025,1062 14.485,1063 0.948,1064 8.825,1065 10.956,1066 1.621,1067 17.783,1068 8.758,1069 13.001,1070 -0.145,1071 16.357,1072 -0.048,1073 10.124,1074 12.603,1075 2.838,1076 20.367,1077 10.039,1078 3.393,1079 -0.506,1080 18.244,1081 -0.265,1082 11.199,1083 14.01,1084 2.316,1085 22.77,1086 11.116,1087 2.826,1088 12.41,1089 20.142,1090 -0.989,1091 12.429,1092 15.589,1093 3.326,1094 25.304,1095 12.335,1096 2.424,1097 9.726,1098 22.049,1099 4.701,1100 13.583,1101 17.074,1102 2.996,1103 27.769,1104 13.486,1105 2.221,1106 8.033,1107 23.963,1108 3.574,1109 14.794,1110 18.63,1111 3.846,1112 30.288,1113 14.691,1114 1.777,1115 7.427,1116 25.883,1117 3.199,1118 15.981,1119 20.15,1120 3.659,1121 32.782,1122 15.874,1123 1.669,1124 4.513,1125 27.809,1126 2.764,1127 17.191,1128 21.699,1129 4.387,1130 35.297,1131 17.077,1132 1.527,1133 3.464,1134 29.739,1135 2.248,1136 18.393,1137 23.233,1138 4.307,1139 37.803,1140 18.274,1141 7138,1142 11449,1143 18.493,1144 32.756,1145 41.032,1146 43.449,1147 43.655,1148 40.65,1149 40.641,1150 51.164,1151 5.898,1152 116.667,1153 39.848,1154 5.702,1155 5.928,1156 7.069,1157 5.426,1158 5.393,1159 7.701,1160 2.549,1161 20.41,1162 5.369,1163 13.188,1164 1.465,1165 1.552,1166 1.559,1167 1.452,1168 1.451,1169 1.827,1170 0.211,1171 4.167,1172 1.423,1173 4.146,1174 4.163,1175 4.12,1176 4.092,1177 7.444,1178 4.095,1179 3.716,1180 3.785,1181 3.615,1182 3.545,1183 7.411,1184 3.539,1185 3.679,1186 3.754,1187 3.518,1188 3.486,1189 6.456,1190 3.494,1191 3.513,1192 3.565,1193 3.409,1194 3.407,1195 4.855,1196 3.4,1197 3.492,1198 3.53,1199 3.391,1200 3.298,1201 4.35,1202 3.316,1203 3.264,1204 3.34,1205 3.091,1206 3.07,1207 4.265,1208 3.063,1209 3.156,1210 3.228,1211 2.978,1212 2.938,1213 4.177,1214 2.928,1215 2.906,1216 2.905,1217 2.832,1218 2.666,1219 3.961,1220 2.703,1221 0.171,1222 0.14,1223 0.255,1224 0.157,1225 0.121,1226 4.776,1227 0.168,1228 3.928,1229 0.048,1230 7.134,1231 0.443,1232 4.386,1233 0.12,1234 3.393,1235 4.701,1236 1.349,1237 12.41,1238 3.369,1239 2.107,1240 2.094,1241 2.161,1242 2.177,1243 1.354,1244 2.171,1245 1.699,1246 1.631,1247 1.966,1248 1.905,1249 1.246,1250 1.92,1251 1.637,1252 1.565,1253 1.876,1254 1.866,1255 1.128,1256 1.883,1257 1.494,1258 1.459,1259 1.675,1260 1.692,1261 0.923,1262 1.684,1263 1.441,1264 1.39,1265 1.663,1266 1.618,1267 0.771,1268 1.636,1269 1.25,1270 1.177,1271 1.562,1272 1.49,1273 0.685,1274 1.515,1275 1.135,1276 1.062,1277 1.353,1278 1.385,1279 0.467,1280 1.384,1281 0.773,1282 0.761,1283 1.108,1284 1.072,1285 0.237,1286 1.086,1287 4.043,1289 5.342,1291 6.876,1293 8.543,1295 10.289,1297 2.14,1302 8.826,1303 4.233,1305 6.414,1309 1.283,1314 31.003,1315 77.249,1316 176.588,1317 230.929,1318 262.539,1319 266.539,1320 268.539,1321 60.196,1322 7.514,1323 83.36,1324 83.36,1325 18,1326 12.684,1327 3.807,1328 3.087,1329 44.258,1330 94,1331 122,1332 0.244,1333 192.317,1334 336.57,1335 461.013,1336 16976,1338 18.518,1339 0.712,1340 0.579,1341 18.518,1342 15.047,1343 12.685,1344 0.453,1345 0.327,1346 9.042,1347 12.23,1348 8.862,1349 7.366,1350 12.685,1351 9.16,1352 10.564,1353 0.278,1354 0.169,1355 10.564,1356 6.405,1357 9.305,1358 0.172,1359 0.086,1360 9.305,1361 4.638,1362 7.978,1363 0.106,1364 0.044,1365 7.978,1366 3.298,1367 6.723,1368 0.065,1369 0.023,1370 6.723,1371 2.348,1372 0.374,1373 79.464,1374 0.233,1375 24.936,1376 0.691,1377 132,1378 379.932,1379 143.724,1380 363.226,1381 492.13,1382 340,1383 158,1384 352.126,1385 170.059,1386 355.65,1387 530.98,1388 337,1389 5.1}
{0 CHEMBL1987448,1 1.641,2 6.412,3 2.066,4 4.269,5 68.8,6 9.412,7 0.842,8 3.412,9 3.53,10 3.175,11 3.026,12 4.64,13 3.024,14 3.846,15 3.979,16 3.574,17 3.405,18 5.099,19 3.385,20 4.016,21 4.192,22 3.52,23 3.47,24 5.14,25 3.414,26 3.967,27 4.147,28 3.487,29 3.406,30 5.114,31 3.329,32 3.951,33 4.154,34 3.265,35 3.28,36 5.036,37 3.169,38 3.794,39 4.031,40 3.253,41 3.018,42 4.97,43 2.936,44 3.486,45 3.728,46 2.798,47 2.625,48 4.728,49 2.507,50 2.957,51 3.256,52 1.988,53 1.988,54 3.983,55 1.819,56 0.059,57 0.418,58 3.275,59 1.78,60 7.037,61 1.96,62 0.142,63 0.631,64 6.065,65 3.044,66 12.329,67 3.613,68 0.156,69 0.704,70 9.772,71 3.929,72 16.913,73 4.624,74 0.147,75 0.641,76 9.117,77 3.991,78 16.204,79 4.933,80 0.172,81 0.597,82 13.175,83 4.282,84 18.209,85 5.223,86 0.222,87 0.513,88 11.705,89 3.498,90 20.756,91 4.396,92 0.219,93 0.361,94 9.963,95 2.453,96 22.172,97 2.886,98 0.105,99 0.19,100 6.764,101 1.666,102 12.26,103 2.111,104 5,105 27,106 0.317,107 0.669,108 0.835,109 0.894,110 0.894,111 0.894,112 2.91,113 0.864,114 -3.52,115 -3.5,116 -3.34,119 46.2,142 4,143 3,145 1,147 2,151 1,161 1,163 1,164 1,165 1,172 6,175 5,177 1,178 2,180 3,183 7,185 1,188 3,193 3,196 5,198 1,200 2,205 6,208 5,210 3,213 3,218 1,221 3,223 1,225 1,228 1,229 1,230 2,232 1,233 1,235 1,237 1,238 2,240 1,241 1,243 1,246 1,248 1,276 285,277 11.516,278 11.516,279 11.516,280 11.516,281 11.516,282 9.621,283 4.764,284 6.787,285 11.876,286 9.409,287 9.409,288 9.409,289 9.409,290 9.409,291 6.601,292 4.407,293 3.243,294 10.036,295 3.06,296 1.241,297 0.385,298 0.077,299 0.077,300 0.077,301 3.586,303 1,305 1,306 1,307 236,308 1.732,311 29.615,312 83.684,315 56.776,319 1.024,320 12.534,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 36.333,332 109,333 4.599,334 3.195,335 6.714,336 4.146,337 3.165,338 4.535,340 10.923,341 3.109,342 4.122,343 2.942,344 5.827,345 3.625,346 2.691,347 3.798,349 8.127,350 2.52,351 3.54,352 2.375,353 5.235,354 3.085,355 2.156,356 2.927,358 6.42,359 1.996,360 3.232,361 2.144,362 4.618,363 2.753,364 1.879,365 2.481,367 4.963,368 1.563,369 3.046,370 1.547,371 4.496,372 2.513,373 1.547,374 2.319,376 4.218,377 1.49,378 2.916,379 1.456,380 4,381 2.385,382 1.434,383 2.112,385 3.437,386 1.34,387 2.524,388 1.035,389 3.564,390 1.994,391 1.028,392 1.536,394 2.556,395 0.988,396 1.973,397 0.493,398 3.094,399 1.431,400 0.488,401 0.72,403 1.177,404 0.459,405 1,406 0.211,407 2.565,408 0.569,409 -0.347,410 -0.445,412 -0.891,413 -0.245,414 0.925,415 -0.251,416 2.382,417 0.429,418 -0.447,419 -0.57,421 -1.149,422 -0.383,423 0.675,424 -0.643,425 2,426 0.153,427 -0.746,428 -0.947,430 -1.8,431 -0.652,432 0.59,433 -0.843,434 2,435 0.09,436 -0.851,437 -1.263,439 -2.095,440 -0.819,441 0.183,442 -1.042,443 1.905,444 -0.224,445 -1.123,446 -1.585,448 -3.001,449 -1.011,450 -0.057,451 -1.339,452 1.337,453 -0.547,454 -1.514,455 -2.036,457 -4.072,458 -1.303,459 -0.232,460 -1.502,461 1.186,462 -0.735,463 -1.532,464 -2.149,466 -4.44,467 -1.456,468 8.314,469 0.489,470 0.435,471 0.026,472 26,473 1.529,474 14.5,475 0.853,476 11.5,477 0.676,478 9.413,479 0.554,480 16.886,481 0.649,482 15.415,483 0.907,484 5.17,485 0.304,486 3.067,487 0.18,488 0.134,490 0.361,496 0.932,497 1.111,498 0.547,499 0.691,500 1.037,501 0.665,502 0.58,503 0.989,504 0.59,505 0.863,506 0.483,507 0.827,508 1.034,509 1.044,510 0.887,511 0.939,512 1.01,513 0.97,514 0.735,515 1.084,516 0.796,517 1.053,518 0.638,519 1.07,520 1.165,521 1.158,522 1.337,523 1.29,524 1.117,525 1.26,526 0.971,527 0.964,528 1.01,529 0.955,530 1.081,531 0.925,532 1.395,533 0.8,534 1.582,535 1.169,536 1.476,537 1.197,538 1.512,539 0.764,540 1.363,541 0.869,542 1.522,543 0.929,544 3.5,546 1.778,547 1.382,548 0.801,549 0.326,550 0.354,551 0.094,552 0.041,554 2266,555 7513,556 2.127,557 34.6,559 4,560 1,561 1,562 3,567 1.573,568 2,569 2.744,570 1.251,574 1,577 42.663,578 1.641,579 3.459,580 4.316,581 4.624,582 4.624,583 4.624,584 2.184,585 3.455,586 4.064,587 2.822,588 383.753,589 6.886,590 3381.24,591 1,592 1,594 1,595 122.211,596 1.379,597 4.023,598 0.184,600 0.066,601 0.055,602 0.036,603 0.019,604 0.024,605 0.012,606 0.014,608 0.41,609 0.67,610 1,611 0.604,612 68.68,613 -0.195,614 -0.006,615 -0.013,616 0.099,617 -0.29,618 0.089,619 0.187,620 0.072,621 0.044,622 -0.027,623 0.197,624 -0.018,625 -0.203,626 -0.048,627 -0.103,628 -0.031,629 -0.205,630 -0.067,631 0.047,632 -0.141,633 0.031,634 -0.105,635 0.137,636 -0.115,637 -0.187,638 -0.268,639 -0.224,640 -0.274,641 -0.164,642 -0.245,643 0.189,644 -0.034,645 0.157,646 0.065,647 0.098,648 0.11,649 0.013,650 0.151,651 -0.198,652 -0.14,653 -0.023,654 -0.185,655 -0.237,656 0.068,657 0.053,658 0.28,659 -0.112,660 0.278,661 1.279,662 1.79,663 0.882,664 8.574,665 1.015,666 1.122,667 2.295,668 5.265,669 0.737,670 2.996,671 3.332,672 3.611,673 3.932,674 4.094,675 4.143,676 4.19,677 4.263,678 4.094,679 4.043,680 4.07,681 0.711,682 244.7,683 2.996,684 4.533,685 5.389,686 6.282,687 7.157,688 8.056,689 8.938,690 9.839,691 10.725,692 11.626,693 15.4,697 1,701 1,703 2,708 2,709 6,710 2,711 1,714 4,716 16,727 1,734 1,735 26,737 16,739 19,741 28,742 12,743 12,748 3,749 4,750 1,762 12,780 1,783 9,784 3,785 3,786 5,787 1,792 4,797 0.667,809 2,811 1,815 1,816 2,819 1,843 2,848 1,851 17,852 1,873 1,881 8.5,882 4.626,883 3.667,884 1.391,886 3.192,887 1.496,888 1.062,889 2.408,890 9.633,891 3.332,892 4.021,893 4.681,894 5.356,895 5.883,896 6.227,897 6.646,898 7.09,899 7.227,900 7.562,901 1,902 25,903 6.193,905 2.638,906 7.771,907 11.671,909 9.543,911 2.271,912 38.611,913 0.001,916 70.627,917 72.059,918 83.254,919 39.149,923 72.059,924 109.775,925 83.254,928 79.85,929 47.057,930 34.777,931 56.319,932 47.084,934 70.627,935 155.313,937 39.149,939 70.627,943 27.548,944 94.193,945 33.571,946 39.149,947 70.627,948 83.254,949 111.208,952 70.627,953 16.059,954 56,955 16.786,956 105.617,957 70.627,958 83.254,959 111.208,961 0.584,962 0.338,963 0.199,964 0.104,965 15,966 6,967 0.036,968 1,969 1,970 1.133,971 2.942,972 124.101,973 0.133,974 15,975 69.487,981 10.416,982 3.929,983 1.826,984 1.878,985 66.468,986 11.11,987 8.178,988 3.11,991 2.745,993 49.683,994 265.088,995 27,1007 26.382,1008 29.183,1009 0.349,1010 0.736,1011 0.918,1012 0.984,1013 0.984,1014 0.984,1015 4.543,1016 0.488,1017 5.38,1018 2.556,1019 4.007,1020 4.705,1022 6.205,1023 3.896,1024 5.784,1025 -0.347,1026 6.94,1027 1.177,1028 3.611,1029 4.559,1031 7.111,1032 3.43,1033 7.107,1034 -0.447,1035 8.601,1036 -0.891,1037 5.602,1038 7.019,1040 10.244,1041 5.425,1042 8.469,1043 -0.746,1044 10.322,1045 -1.149,1046 6.019,1047 7.72,1049 12.018,1050 5.814,1051 9.864,1052 -0.851,1053 12.084,1054 -1.8,1055 7.499,1056 9.635,1058 14.665,1059 7.287,1060 11.283,1061 -1.123,1062 13.874,1063 -2.095,1064 8.306,1065 10.754,1067 16.8,1068 8.083,1069 12.721,1070 -1.514,1071 15.687,1072 -3.001,1073 9.576,1074 12.43,1076 19.279,1077 9.341,1078 3.165,1079 -1.532,1080 17.517,1081 -4.072,1082 10.565,1083 13.753,1085 21.563,1086 10.324,1087 2.691,1088 10.923,1089 19.36,1090 -4.44,1091 11.752,1092 15.326,1094 23.983,1095 11.496,1096 2.156,1097 8.127,1098 21.214,1099 4.535,1100 12.824,1101 16.745,1103 26.328,1104 12.561,1105 1.879,1106 6.42,1107 23.077,1108 3.798,1109 13.979,1110 18.276,1112 28.728,1113 13.703,1114 1.547,1115 4.963,1116 24.947,1117 2.927,1118 15.09,1119 19.74,1121 31.098,1122 14.804,1123 1.434,1124 4.218,1125 26.822,1126 2.481,1127 16.236,1128 21.254,1130 33.491,1131 15.936,1132 1.028,1133 3.437,1134 28.702,1135 2.319,1136 17.364,1137 22.741,1139 35.873,1140 17.053,1141 2224,1142 4135,1143 12.83,1144 19.165,1145 29.168,1146 28.941,1147 29.621,1148 28.958,1149 28.773,1150 40.856,1152 83.641,1153 26.928,1154 5.261,1155 5.195,1156 6.395,1157 5.186,1158 5.165,1159 7.535,1161 18.097,1162 5.052,1163 6.679,1164 1.535,1165 1.523,1166 1.559,1167 1.524,1168 1.514,1169 2.15,1171 4.402,1172 1.417,1173 4.127,1174 4.164,1175 4.114,1176 4.029,1177 5.215,1178 4.04,1179 3.811,1180 3.853,1181 3.915,1182 3.693,1183 5.047,1184 3.703,1185 3.368,1186 3.433,1187 3.374,1188 3.219,1189 4.804,1190 3.223,1191 3.051,1192 3.146,1193 3.235,1194 2.859,1195 4.374,1196 2.853,1197 2.888,1198 2.945,1199 2.879,1200 2.69,1201 4.111,1202 2.716,1203 2.662,1204 2.732,1205 2.622,1206 2.477,1207 3.863,1208 2.482,1209 2.374,1210 2.457,1211 2.233,1212 2.218,1213 3.575,1214 2.211,1215 2.295,1216 2.424,1217 2.152,1218 1.913,1219 3.173,1220 1.915,1221 0.242,1222 0.168,1223 0.353,1224 0.218,1225 0.167,1226 4.599,1227 0.239,1228 3.195,1230 6.714,1231 0.575,1232 4.146,1233 0.164,1234 3.165,1235 4.535,1237 10.923,1238 3.109,1239 1.927,1240 1.904,1241 1.991,1242 2.021,1243 1.124,1244 2.014,1245 1.775,1246 1.736,1247 1.862,1248 1.937,1249 0.897,1250 1.921,1251 1.392,1252 1.328,1253 1.54,1254 1.629,1255 0.527,1256 1.614,1257 1.028,1258 0.967,1259 1.255,1260 1.296,1261 0.277,1262 1.298,1263 0.951,1264 0.895,1265 1.133,1266 1.12,1267 0.133,1268 1.135,1269 0.616,1270 0.541,1271 0.898,1272 0.853,1274 0.879,1275 0.526,1276 0.436,1277 0.855,1278 0.793,1280 0.825,1281 0.208,1282 0.072,1283 0.451,1284 0.552,1286 0.554,1287 3.664,1289 4.99,1290 2.398,1291 6.515,1292 4.727,1293 8.132,1294 6.843,1295 9.798,1298 5.901,1301 5.688,1314 18.494,1315 42.663,1316 89.947,1317 112.211,1318 120.211,1319 120.211,1320 120.211,1321 17.074,1322 6.441,1323 67.59,1324 67.59,1325 17,1326 12.15,1327 4.087,1328 3.17,1329 23.611,1330 41,1331 34,1332 0.295,1333 118.717,1334 187.11,1335 281.429,1336 4426,1337 3.8,1338 11.828,1339 0.696,1340 0.563,1341 12.328,1342 9.57,1343 8.237,1344 0.434,1345 0.288,1346 5.065,1347 7.705,1348 4.938,1349 4.085,1350 8.526,1351 5.472,1352 7.627,1353 0.282,1354 0.152,1355 8.035,1356 4.093,1357 6.209,1358 0.172,1359 0.077,1360 6.445,1361 2.77,1362 5.723,1363 0.114,1364 0.042,1365 6.076,1366 2.083,1367 4.248,1368 0.072,1369 0.021,1370 4.432,1371 1.267,1372 0.436,1373 54.204,1374 0.279,1375 16.701,1376 0.889,1377 92,1378 263.139,1379 114.803,1380 294.218,1381 400.32,1382 274,1383 109,1384 281.961,1385 125.087,1386 298.328,1387 436.23,1388 281,1389 6.3}
{0 CHEMBL1987648,1 1.621,2 10.733,3 3.581,4 12.823,5 113.304,6 7.67,7 0.667,8 4.077,9 4.203,10 3.665,11 3.592,12 5.238,13 3.587,14 4.594,15 4.778,16 4.052,17 3.981,18 5.721,19 3.965,20 4.831,21 5.026,22 4.126,23 4.129,24 5.965,25 4.085,26 5.018,27 5.286,28 4.054,29 4.125,30 6.047,31 4.063,32 4.812,33 5.036,34 4.083,35 4.111,36 5.835,37 4.059,38 4.825,39 5.03,40 4.149,41 4.139,42 6.028,43 4.102,44 4.864,45 5.073,46 4.022,47 4.144,48 5.955,49 4.064,50 4.882,51 5.141,52 3.832,53 3.987,54 5.93,55 3.874,56 0.064,57 0.898,58 10.307,59 4.448,60 11.87,61 5.815,62 0.274,63 1.419,64 19.67,65 7.353,66 34.206,67 9.932,68 0.316,69 1.731,70 25.468,71 9.266,72 42.389,73 12.575,74 0.748,75 1.761,76 36.436,77 9.957,78 86.889,79 14.647,80 0.312,81 1.602,82 26.061,83 9.033,84 32.25,85 13.1,86 0.54,87 1.717,88 25.602,89 8.137,90 55.471,91 11.691,92 0.314,93 1.735,94 26.62,95 9.798,96 34.342,97 13.727,98 0.421,99 1.621,100 30.236,101 10.222,102 54.505,103 14.715,104 30,105 48,106 0.267,107 0.64,108 0.808,109 0.838,110 0.838,111 0.838,112 3.441,113 0.878,114 -4.18,115 -4.12,116 -3.9,119 41.5,120 3,123 1,125 2,142 5,143 1,144 1,145 2,146 3,150 1,151 1,152 1,161 1,172 6,174 2,175 4,178 2,180 2,183 5,187 3,188 6,193 4,196 2,199 1,200 8,204 1,205 1,208 1,212 1,213 9,216 1,221 3,224 2,225 7,228 3,230 1,233 6,238 5,243 2,246 4,249 1,250 6,253 1,255 4,258 1,264 2,267 1,272 4,276 1614,277 20.024,278 20.024,279 20.024,280 20.024,281 20.024,282 17.448,283 13.037,284 11.465,285 20.495,286 16.186,287 16.186,288 16.186,289 16.186,290 16.186,291 12.325,292 16.338,293 5.361,294 17.023,295 4.107,296 1.844,297 0.828,298 0.647,299 0.647,300 0.647,301 4.134,305 1,306 1,307 688,308 3.674,311 61.314,312 248.232,315 119.644,319 1.551,320 31.478,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 65.5,332 322,333 4.763,334 3.363,335 7.059,336 4.298,337 3.348,338 4.72,339 0.4,340 12.197,341 3.183,342 4.193,343 3.228,344 6.69,345 4.169,346 3.179,347 3.783,349 10.767,350 3.149,351 4.13,352 2.919,353 6.206,354 3.688,355 2.728,356 3.667,358 9.054,359 2.622,360 4.044,361 2.784,362 5.873,363 3.608,364 2.656,365 3.222,367 8.184,368 2.523,369 3.727,370 2.609,371 5.378,372 3.281,373 2.348,374 3.145,376 6.879,377 2.179,378 3.482,379 2.312,380 5.036,381 3.068,382 2.132,383 2.824,385 6.009,386 1.98,387 3.182,388 1.904,389 4.938,390 2.728,391 1.788,392 2.435,394 5.312,395 1.676,396 3.016,397 1.558,398 4.418,399 2.467,400 1.526,401 2.266,403 4.029,404 1.431,405 2.733,406 1.353,407 4.167,408 2.229,409 1.283,410 1.837,412 3.398,413 1.209,414 2.605,415 1.193,416 3.642,417 2.067,418 1.127,419 1.655,421 2.661,422 1.055,423 2.5,424 1.138,425 3.539,426 2,427 1,428 1.5,430 2.275,431 1,432 2.184,433 1,434 3.453,435 1.678,436 0.752,437 1.05,439 1.971,440 0.694,441 1.825,442 0.824,443 3.414,444 1.625,445 0.705,446 0.775,448 1.607,449 0.646,450 1.37,451 0.759,452 2.874,453 1.214,454 0.34,455 0.348,457 0.477,458 0.294,459 1.254,460 0.357,461 2.775,462 0.861,463 -0.069,464 -0.087,466 -0.162,467 -0.063,468 14.019,469 0.467,470 0.882,471 0.029,472 40.75,473 1.358,474 20.5,475 0.683,476 20.25,477 0.675,478 25.815,479 0.86,480 32.181,481 0.607,482 31.923,483 1.064,484 7.903,485 0.263,486 6.473,487 0.216,488 0.151,489 0.036,490 0.314,494 1,496 0.783,497 1.297,498 0.756,499 1.104,500 0.726,501 0.959,502 0.763,503 1.01,504 0.726,505 0.889,506 0.666,507 0.817,508 0.923,509 1.231,510 1.009,511 1.204,512 0.842,513 1.136,514 1.19,515 0.72,516 0.945,517 0.599,518 1.045,519 0.689,520 0.617,521 0.943,522 0.777,523 0.907,524 0.443,525 0.871,526 0.777,527 0.859,528 0.991,529 0.881,530 0.572,531 0.939,532 0.762,533 1.154,534 1.107,535 1.274,536 0.707,537 1.257,538 0.759,539 1.083,540 1.003,541 1.187,542 0.745,543 1.155,544 7,545 0.247,546 3.778,547 2.104,548 2.078,549 1.146,550 0.74,551 0.663,552 0.463,553 0.36,554 10686,555 30224,556 2.059,557 43.4,558 6,559 9,560 1,561 2,562 2,563 3,567 1.735,568 1.905,569 3.334,570 0.243,572 1,577 85.921,578 1.621,579 3.884,580 4.9,581 5.081,582 5.081,583 5.081,584 2.857,585 4.64,586 4.874,587 3.524,588 1532.78,589 8.542,590 20731.4,592 1,594 1,595 303.58,596 1.615,597 4.82,598 0.212,599 0.011,600 0.079,601 0.043,602 0.045,603 0.023,604 0.015,605 0.015,606 0.014,607 0.012,608 0.469,609 0.33,610 1,611 1.249,612 151.901,613 -0.071,614 -0.211,615 0.039,616 -0.059,617 -0.096,618 -0.003,619 0.04,620 0.016,621 0.154,622 0.104,623 0.033,624 0.136,625 -0.042,626 -0.174,627 -0.106,628 -0.215,629 -0.021,630 -0.184,631 -0.157,632 0.15,633 0.081,634 0.312,635 -0.121,636 0.26,637 0.011,638 -0.044,639 0.128,640 0.069,641 0.024,642 0.112,643 0.033,644 0.159,645 -0.092,646 0.047,647 0.051,648 -0.027,649 -0.035,650 -0.168,651 -0.212,652 -0.276,653 -0.056,654 -0.278,655 0.077,656 -0.172,657 -0.019,658 -0.207,659 0.063,660 -0.151,661 1.97,662 5.475,663 0.7,664 29.307,665 1.008,666 1.137,667 2.95,668 8.703,669 0.666,670 3.526,671 3.892,672 4.159,673 4.443,674 4.754,675 4.913,676 5.088,677 5.273,678 5.371,679 5.389,680 6.349,681 0.641,682 406.51,683 3.526,684 5.094,685 5.953,686 6.855,687 7.742,688 8.653,689 9.554,690 10.471,691 11.38,692 12.301,693 11.3,698 1,701 1,703 4,708 1,709 8,710 4,714 7,716 22,728 1,734 1,735 53,737 22,738 1,739 33,741 56,742 22,743 16,744 2,745 4,748 4,749 5,754 4,755 1,762 16,763 6,780 1,781 1,783 23,784 7,785 2,786 8,789 1,792 6,797 0.75,798 1,799 1,806 1,810 1,815 1,816 3,819 1,841 1,843 3,847 3,849 1,851 30,857 1,858 2,860 1,865 1,873 1,874 1.9,875 1,881 15.75,882 10.51,883 6.5,884 3.034,886 4.259,887 1.542,888 0.962,889 5.399,890 12.113,891 3.807,892 4.469,893 5.102,894 5.765,895 6.402,896 6.845,897 7.36,898 7.887,899 8.273,900 8.611,901 1,902 49,903 11.07,905 4.731,906 7.836,907 20.913,909 17.121,911 2.336,912 70.083,914 1,915 1,916 247.193,917 130.053,918 86.439,920 42.683,921 14.96,923 130.053,924 289.876,925 101.399,926 26.476,927 2.106,928 99.112,929 110.41,930 39.958,931 31.387,932 211.88,934 247.193,935 216.492,936 57.643,939 262.153,941 42.683,943 59.847,944 71.492,945 85.153,947 262.153,948 129.123,949 130.053,952 247.193,953 29.054,954 102.286,955 18.011,956 124.786,957 247.193,958 144.083,959 130.053,961 0.592,962 0.34,963 0.172,964 0.104,965 24,966 11,967 0.107,968 6,969 1,970 1.095,971 3.977,972 279.11,973 0.095,974 21,975 139.207,981 20.243,982 8.002,983 4.152,984 0.71,985 142.796,986 13.276,987 18.095,991 3.849,993 60.694,994 521.329,995 44,1007 53.403,1008 60.276,1009 0.283,1010 0.678,1011 0.855,1012 0.887,1013 0.887,1014 0.887,1015 5.059,1016 1.526,1017 5.984,1018 5.312,1019 4.575,1020 5.156,1021 0.278,1022 6.853,1023 4.478,1024 6.307,1025 1.283,1026 7.585,1027 4.029,1028 4.369,1029 5.075,1031 8.04,1032 4.254,1033 7.646,1034 1.127,1035 9.292,1036 3.398,1037 6.271,1038 7.441,1039 0.05,1040 11.069,1041 6.098,1042 9.023,1043 1,1044 11.062,1045 2.661,1046 6.858,1047 8.171,1049 13.044,1050 6.67,1051 10.429,1052 0.752,1053 12.871,1054 2.275,1055 8.281,1056 10.041,1057 0.008,1058 15.672,1059 8.047,1060 11.858,1061 0.705,1062 14.707,1063 1.971,1064 9.202,1065 11.173,1067 17.944,1068 8.948,1069 13.305,1070 0.34,1071 16.563,1072 1.607,1073 10.459,1074 12.84,1075 0.001,1076 20.457,1077 10.166,1078 3.348,1079 -0.069,1080 18.434,1081 0.477,1082 11.525,1083 14.182,1085 22.849,1086 11.207,1087 3.179,1088 12.197,1089 20.316,1090 -0.162,1091 12.726,1092 15.765,1094 25.332,1095 12.371,1096 2.728,1097 10.767,1098 22.207,1099 4.72,1100 13.856,1101 17.213,1103 27.773,1104 13.47,1105 2.656,1106 9.054,1107 24.106,1108 3.783,1109 15.041,1110 18.767,1112 30.251,1113 14.619,1114 2.348,1115 8.184,1116 26.011,1117 3.667,1118 16.201,1119 20.266,1121 32.716,1122 15.745,1123 2.132,1124 6.879,1125 27.922,1126 3.222,1127 17.384,1128 21.812,1130 35.196,1131 16.89,1132 1.788,1133 6.009,1134 29.836,1135 3.145,1136 18.559,1137 23.336,1139 37.672,1140 18.028,1141 10406,1142 17651,1143 21.671,1144 35.279,1145 50.177,1146 51.101,1147 51.987,1148 49.765,1149 49.826,1150 66.454,1151 0.8,1152 149.642,1153 47.282,1154 5.627,1155 5.363,1156 6.609,1157 5.372,1158 5.348,1159 7.72,1160 0.8,1161 19.689,1162 5.183,1163 16.371,1164 1.521,1165 1.549,1166 1.575,1167 1.508,1168 1.51,1169 2.014,1170 0.024,1171 4.535,1172 1.433,1173 4.16,1174 4.206,1175 4.141,1176 4.015,1177 8.201,1178 4.04,1179 3.855,1180 3.902,1181 3.806,1182 3.763,1183 6.456,1184 3.77,1185 3.841,1186 3.886,1187 3.776,1188 3.679,1189 5.125,1190 3.687,1191 3.716,1192 3.769,1193 3.611,1194 3.574,1195 4.942,1196 3.582,1197 3.327,1198 3.394,1199 3.263,1200 3.155,1201 4.644,1202 3.172,1203 3.158,1204 3.235,1205 3.008,1206 3.004,1207 4.366,1208 2.993,1209 3.116,1210 3.206,1211 2.955,1212 2.865,1213 4.26,1214 2.876,1215 2.981,1216 3.063,1217 2.767,1218 2.735,1219 3.984,1220 2.715,1221 0.144,1222 0.102,1223 0.214,1224 0.13,1225 0.101,1226 4.763,1227 0.143,1228 3.363,1229 0.012,1230 7.059,1231 0.37,1232 4.298,1233 0.096,1234 3.348,1235 4.72,1236 0.4,1237 12.197,1238 3.183,1239 1.928,1240 1.899,1241 2.013,1242 2.085,1243 1.286,1244 2.058,1245 1.868,1246 1.825,1247 1.994,1248 1.997,1249 1.121,1250 1.991,1251 1.79,1252 1.736,1253 1.953,1254 1.967,1255 1.032,1256 1.975,1257 1.693,1258 1.647,1259 1.809,1260 1.861,1261 0.83,1262 1.855,1263 1.32,1264 1.269,1265 1.548,1266 1.518,1267 0.608,1268 1.525,1269 1.117,1270 1.039,1271 1.417,1272 1.378,1273 0.535,1274 1.396,1275 1.061,1276 0.973,1277 1.409,1278 1.311,1279 0.469,1280 1.315,1281 0.934,1282 0.836,1283 1.332,1284 1.296,1285 0.425,1286 1.308,1287 4.205,1289 5.557,1290 2.398,1291 7.101,1292 4.844,1293 8.728,1294 7.081,1295 10.399,1297 5.804,1299 13.475,1302 9.478,1303 0.571,1305 3.191,1310 -0.301,1314 33.968,1315 85.921,1316 205.864,1317 259.705,1318 269.315,1319 269.315,1320 269.315,1321 54.82,1322 7.854,1323 88.23,1324 88.23,1325 23,1326 12.812,1327 4.524,1328 3.585,1329 46.711,1330 108,1331 132,1332 0.205,1333 208.915,1334 350.58,1335 501.512,1336 27276,1337 1.9,1338 21.303,1339 0.71,1340 0.57,1341 20.433,1342 17.094,1343 14.376,1344 0.436,1345 0.293,1346 9.503,1347 13.767,1348 9.169,1349 7.671,1350 13.982,1351 9.656,1352 13.582,1353 0.283,1354 0.166,1355 12.96,1356 7.964,1357 11.231,1358 0.178,1359 0.078,1360 10.82,1361 4.888,1362 8.835,1363 0.105,1364 0.037,1365 8.684,1366 3.106,1367 7.731,1368 0.067,1369 0.019,1370 7.502,1371 2.187,1372 0.314,1373 90.546,1374 0.215,1375 27.847,1376 0.586,1377 162,1378 508.819,1379 179.509,1380 471.791,1381 647.12,1382 442,1383 192,1384 481.975,1385 210.532,1386 485.241,1387 713.2,1388 455,1389 5.1}
{0 CHEMBL1987679,1 1.579,2 13.233,3 3.09,4 9.545,5 112,6 8.009,7 0.647,8 4.046,9 4.153,10 3.678,11 3.603,12 5.209,13 3.608,14 4.549,15 4.679,16 4.051,17 4.007,18 5.725,19 3.99,20 4.782,21 4.962,22 4.022,23 4.105,24 5.856,25 4.046,26 4.822,27 5.042,28 3.901,29 4.053,30 5.803,31 3.968,32 4.754,33 4.976,34 3.843,35 3.943,36 5.797,37 3.868,38 4.706,39 4.925,40 3.781,41 3.862,42 5.758,43 3.792,44 4.634,45 4.872,46 3.702,47 3.782,48 5.663,49 3.707,50 4.491,51 4.706,52 3.62,53 3.698,54 5.578,55 3.629,56 0.077,57 0.737,58 8.985,59 4.239,60 11.556,61 4.987,62 0.344,63 1.164,64 16.519,65 7.294,66 32.763,67 8.856,68 0.396,69 1.401,70 23.672,71 9.63,72 41.339,73 12.097,74 0.344,75 1.432,76 26.757,77 10.303,78 37.763,79 13.57,80 0.34,81 1.343,82 25.169,83 9.347,84 45.114,85 12.325,86 0.48,87 1.275,88 24.267,89 8.439,90 48.234,91 10.951,92 0.429,93 1.176,94 23.401,95 8.202,96 41.417,97 11.052,98 0.354,99 1.011,100 19.484,101 7.213,102 42.503,103 9.457,104 5,105 48,106 0.261,107 0.644,108 0.815,109 0.901,110 0.914,111 0.914,112 3.44,113 0.853,114 -2.46,115 -2.49,116 -2.44,119 46,121 1,125 1,127 1,142 8,143 4,144 3,145 2,151 1,152 1,159 1,163 1,164 1,165 1,172 11,174 1,175 3,178 2,180 5,183 11,185 1,187 1,188 6,190 1,191 1,193 6,196 9,198 1,200 8,205 3,208 4,210 1,213 7,217 1,218 3,220 1,221 2,223 2,224 1,225 4,227 1,228 2,230 4,233 2,235 3,237 1,238 4,241 1,243 2,246 3,248 2,249 1,250 2,253 1,255 3,258 5,260 2,263 1,264 1,267 1,269 2,272 7,274 1,276 1504,277 20.618,278 20.618,279 20.618,280 20.618,281 20.618,282 17.922,283 16.738,284 12.155,285 21.03,286 16.84,287 16.84,288 16.84,289 16.84,290 16.84,291 12.729,292 18.936,293 5.831,294 17.511,295 4.065,296 1.753,297 0.72,298 0.2,299 0.12,300 0.12,301 4.153,305 1,306 1,307 895,308 3.24,311 143.43,312 263.076,315 256.749,319 2.033,320 26.113,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 65,332 397,333 4.527,334 3.734,335 6.533,336 4.059,337 3.072,338 4.474,339 2.186,340 10.301,341 3.03,342 4.402,343 3.162,344 6.332,345 4.018,346 3.052,347 4.068,348 0.86,349 9.748,350 2.956,351 4.124,352 3.029,353 6.06,354 3.745,355 2.784,356 3.674,357 0.366,358 8.84,359 2.659,360 3.69,361 2.866,362 5.356,363 3.389,364 2.438,365 3.035,367 6.941,368 2.317,369 3.511,370 2.594,371 5.248,372 3.222,373 2.257,374 2.806,376 6.548,377 2.163,378 3.348,379 2.406,380 4.819,381 2.905,382 1.924,383 2.548,385 5.345,386 1.861,387 3.132,388 1.977,389 4.79,390 2.812,391 1.83,392 2.319,394 5.187,395 1.792,396 3.045,397 1.852,398 4.463,399 2.518,400 1.546,401 2.229,403 4.409,404 1.501,405 2.882,406 1.585,407 4.243,408 2.472,409 1.527,410 2.022,412 3.821,413 1.436,414 2.868,415 1.546,416 4.145,417 2.388,418 1.432,419 2.003,421 3.7,422 1.363,423 2.618,424 1.219,425 3.582,426 2.144,427 1.155,428 1.671,430 2.748,431 1.14,432 2.588,433 1.141,434 3.489,435 2.049,436 1.102,437 1.629,439 2.551,440 1.04,441 2.086,442 0.988,443 3.212,444 1.627,445 0.687,446 0.922,448 1.609,449 0.642,450 1.688,451 0.725,452 3.161,453 1.404,454 0.499,455 0.587,457 1.158,458 0.448,459 1.643,460 0.677,461 3.019,462 1.337,463 0.409,464 0.489,466 1.072,467 0.377,468 14.1,469 0.47,470 0.691,471 0.023,472 43,473 1.433,474 23,475 0.767,476 20,477 0.667,478 21.391,479 0.713,480 30.9,481 0.618,482 31.291,483 1.043,484 8.574,485 0.286,486 6.079,487 0.203,488 0.052,490 0.355,496 0.893,497 1.109,498 0.733,499 0.932,500 0.759,501 0.813,502 0.794,503 1.064,504 0.848,505 0.993,506 0.598,507 0.942,508 0.972,509 1.035,510 1.042,511 1.068,512 0.862,513 1.072,514 0.91,515 1.042,516 1.006,517 1.062,518 0.645,519 1.054,520 0.957,521 1.08,522 0.997,523 1.084,524 0.965,525 1.053,526 1.12,527 0.99,528 1.106,529 1.02,530 0.915,531 1.05,532 0.88,533 0.938,534 0.92,535 0.94,536 0.732,537 0.931,538 0.96,539 1.001,540 0.957,541 0.987,542 1.066,543 0.982,544 6,545 0.136,546 3.111,547 2.021,548 1.248,549 0.837,550 0.452,551 0.379,552 0.225,553 0.175,554 14372,555 38941,556 2.186,557 40,559 11,560 1,561 2,562 4,564 2,567 1.723,568 2.093,569 3.684,570 1.598,571 1,572 1,577 78.957,578 1.579,579 3.891,580 4.924,581 5.444,582 5.524,583 5.524,584 3.111,585 4.84,586 4.883,587 3.855,588 1677.08,589 8.482,590 24318.1,592 1,594 1,595 282.193,596 1.231,597 4.859,598 0.176,599 0.005,600 0.065,601 0.045,602 0.032,603 0.023,604 0.014,605 0.012,606 0.008,607 0.006,608 0.387,609 0.17,610 0.88,611 0.424,612 157.086,613 -0.101,614 0.009,615 0.035,616 0.035,617 -0.117,618 0.064,619 0.141,620 -0.007,621 -0.008,622 -0.016,623 0.108,624 -0.035,625 -0.036,626 -0.046,627 -0.115,628 -0.077,629 -0.051,630 -0.107,631 -0.065,632 -0.092,633 -0.021,634 -0.063,635 0.012,636 -0.038,637 -0.04,638 -0.117,639 0.005,640 -0.102,641 -0.007,642 -0.051,643 -0.033,644 -0.003,645 -0.085,646 -0.063,647 -0.059,648 -0.08,649 0.084,650 0.018,651 0.12,652 0.038,653 0.074,654 0.082,655 0.042,656 -0.053,657 0.052,658 0.003,659 0.015,660 0.019,661 2.137,662 4.357,663 0.8,664 30.009,665 1.009,666 1.119,667 1.231,668 1.514,669 0.69,670 3.555,671 3.892,672 4.174,673 4.466,674 4.654,675 4.682,676 4.836,677 4.934,678 4.898,679 4.97,680 7.735,681 0.669,682 400.47,683 3.555,684 5.106,685 5.964,686 6.847,687 7.718,688 8.603,689 9.48,690 10.365,691 11.244,692 12.129,693 8,694 1,700 1,701 1,703 1,708 2,709 11,710 1,711 1,714 6,716 22,731 1,733 1,735 50,737 23,738 2,739 34,741 54,742 23,743 19,744 5,745 7,748 5,749 7,760 2,762 20,763 3,767 1,772 1,776 1,780 1,783 20,784 6,785 4,786 7,792 4,797 0.6,798 3,809 1,811 1,815 2,816 3,819 2,836 1,843 3,851 30,852 1,858 2,860 1,861 2,863 1,874 6,877 1,879 2,881 14.333,882 8.783,883 6.444,884 2.835,886 4.359,887 1.536,888 1.041,889 4.967,890 12.487,891 3.85,892 4.48,893 5.085,894 5.707,895 6.221,896 6.458,897 6.87,898 7.218,899 7.288,900 7.549,901 0.889,902 45,903 11.05,905 4.8,906 7.744,907 21.038,909 17.609,911 2.244,912 67.333,915 1,916 188.338,917 144.359,918 84.479,920 47.145,923 144.359,924 235.482,925 84.479,927 58.035,928 84.857,929 65.473,930 82.253,931 20.678,932 153.024,934 188.338,935 228.838,936 47.145,939 164.795,940 70.687,943 92.915,944 119.137,945 16.786,947 188.338,948 131.624,949 144.359,952 188.338,953 41.407,954 102.952,955 34.796,956 96.827,957 188.338,958 131.624,959 144.359,961 0.584,962 0.34,963 0.191,964 0.103,965 25,966 10,967 0.111,968 6,969 2,970 1.167,971 4.35,972 268.074,973 0.167,974 24,975 145.207,981 18.822,982 7.917,983 3.966,984 2.288,985 114.838,986 20.983,987 4.27,988 3.271,991 4.721,993 67.693,994 464.32,995 46,1000 11.357,1004 -0.471,1007 50.458,1008 55.943,1009 0.28,1010 0.689,1011 0.872,1012 0.965,1013 0.979,1014 0.979,1015 5.085,1016 1.546,1017 5.943,1018 5.187,1019 4.575,1020 5.168,1021 2.399,1022 6.744,1023 4.501,1024 6.294,1025 1.527,1026 7.489,1027 4.409,1028 4.111,1029 4.945,1030 1.784,1031 7.582,1032 4.025,1033 7.6,1034 1.432,1035 9.132,1036 3.821,1037 6.159,1038 7.392,1039 3.523,1040 10.683,1041 6.026,1042 8.942,1043 1.155,1044 10.831,1045 3.7,1046 6.524,1047 8.025,1048 3.59,1049 12.372,1050 6.374,1051 10.317,1052 1.102,1053 12.569,1054 2.748,1055 8.023,1056 9.93,1057 4.911,1058 14.96,1059 7.839,1060 11.715,1061 0.687,1062 14.332,1063 2.551,1064 8.779,1065 10.983,1066 5.289,1067 17.005,1068 8.577,1069 13.132,1070 0.499,1071 16.116,1072 1.609,1073 10.048,1074 12.65,1075 6.388,1076 19.411,1077 9.821,1078 3.072,1079 0.409,1080 17.914,1081 1.158,1082 10.992,1083 13.916,1084 6.93,1085 21.605,1086 10.745,1087 3.052,1088 10.301,1089 19.723,1090 1.072,1091 12.163,1092 15.475,1093 7.902,1094 23.945,1095 11.895,1096 2.784,1097 9.748,1098 21.542,1099 4.474,1100 13.196,1101 16.847,1102 8.539,1103 26.202,1104 12.908,1105 2.438,1106 8.84,1107 23.368,1108 4.068,1109 14.327,1110 18.357,1111 9.436,1112 28.519,1113 14.02,1114 2.257,1115 6.941,1116 25.2,1117 3.674,1118 15.4,1119 19.783,1120 10.13,1121 30.804,1122 15.073,1123 1.924,1124 6.548,1125 27.037,1126 3.035,1127 16.517,1128 21.274,1129 10.981,1130 33.115,1131 16.171,1132 1.83,1133 5.345,1134 28.878,1135 2.806,1136 17.61,1137 22.727,1138 11.71,1139 35.414,1140 17.245,1141 13037,1142 21666,1143 23.463,1144 34.478,1145 51.719,1146 52.985,1147 52.195,1148 51.323,1149 51.432,1150 68.955,1151 6.825,1152 147.96,1153 49.453,1154 5.429,1155 5.734,1156 6.215,1157 5.134,1158 5.072,1159 7.474,1160 3.889,1161 17.025,1162 5.03,1163 10.347,1164 1.521,1165 1.558,1166 1.535,1167 1.509,1168 1.513,1169 2.028,1170 0.201,1171 4.352,1172 1.454,1173 4.131,1174 4.165,1175 4.085,1176 4.048,1177 7.435,1178 4.053,1179 4.018,1180 4.038,1181 3.982,1182 3.934,1183 5.054,1184 3.941,1185 3.799,1186 3.827,1187 3.755,1188 3.651,1189 4.953,1190 3.671,1191 3.619,1192 3.681,1193 3.499,1194 3.477,1195 4.937,1196 3.473,1197 3.379,1198 3.438,1199 3.302,1200 3.21,1201 4.792,1202 3.218,1203 3.326,1204 3.352,1205 3.242,1206 3.077,1207 4.361,1208 3.125,1209 3.013,1210 3.072,1211 2.896,1212 2.835,1213 4.302,1214 2.838,1215 2.913,1216 2.977,1217 2.798,1218 2.774,1219 4.168,1220 2.773,1221 0.133,1222 0.11,1223 0.192,1224 0.119,1225 0.09,1226 4.527,1227 0.132,1228 3.734,1229 0.064,1230 6.533,1231 0.303,1232 4.059,1233 0.089,1234 3.072,1235 4.474,1236 2.186,1237 10.301,1238 3.03,1239 1.951,1240 1.931,1241 2.043,1242 2.042,1243 1.259,1244 2.04,1245 1.94,1246 1.917,1247 2.025,1248 2.017,1249 1.153,1250 2.024,1251 1.717,1252 1.681,1253 1.886,1254 1.895,1255 1.069,1256 1.895,1257 1.653,1258 1.607,1259 1.775,1260 1.802,1261 0.845,1262 1.797,1263 1.371,1264 1.305,1265 1.573,1266 1.617,1267 0.687,1268 1.61,1269 1.181,1270 1.167,1271 1.299,1272 1.557,1273 0.389,1274 1.467,1275 1.042,1276 0.987,1277 1.274,1278 1.258,1279 0.27,1280 1.269,1281 0.909,1282 0.885,1283 1.132,1284 1.166,1285 0.199,1286 1.163,1287 4.234,1289 5.565,1290 3.045,1291 7.077,1292 5.416,1293 8.673,1294 7.506,1295 10.314,1301 6.313,1303 1.08,1305 2.632,1306 11.043,1308 -0.154,1314 33.444,1315 78.957,1316 194.529,1317 246.193,1318 272.193,1319 276.193,1320 276.193,1321 42.38,1322 8.128,1323 109.93,1324 109.93,1325 28,1326 12.662,1327 4.585,1328 3.7,1329 41.905,1330 141,1331 122,1332 0.141,1333 201.392,1334 342.39,1335 483.156,1336 46855,1338 20.501,1339 0.683,1340 0.536,1341 20.501,1342 16.092,1343 14.653,1344 0.431,1345 0.284,1346 9.534,1347 14.101,1348 9.373,1349 7.736,1350 14.653,1351 9.672,1352 13.427,1353 0.28,1354 0.151,1355 13.427,1356 7.269,1357 11.335,1358 0.177,1359 0.08,1360 11.335,1361 5.089,1362 9.848,1363 0.115,1364 0.042,1365 9.848,1366 3.626,1367 7.94,1368 0.076,1369 0.023,1370 7.94,1371 2.405,1372 0.229,1373 91.871,1374 0.206,1375 28.881,1376 0.367,1377 164,1378 478.83,1379 180.485,1380 461.859,1381 640.48,1382 434,1383 194,1384 482.335,1385 209.963,1386 487.092,1387 714.18,1388 459,1389 6}
{0 CHEMBL1987756,1 1.733,2 13.519,3 3.096,4 9.585,5 112.684,6 9.498,7 0.586,8 3.938,9 4.038,10 3.852,11 3.594,12 4.999,13 3.526,14 4.45,15 4.595,16 4.151,17 3.963,18 5.74,19 3.871,20 4.699,21 4.894,22 4.206,23 4.1,24 5.765,25 3.959,26 4.721,27 4.918,28 4.065,29 4,30 5.858,31 3.863,32 4.673,33 4.884,34 3.92,35 3.842,36 5.894,37 3.729,38 4.582,39 4.82,40 3.686,41 3.718,42 5.687,43 3.571,44 4.435,45 4.681,46 3.547,47 3.635,48 5.38,49 3.47,50 4.36,51 4.606,52 3.552,53 3.567,54 5.308,55 3.401,56 0.087,57 0.678,58 8.776,59 4.535,60 15.961,61 5.186,62 0.318,63 1.076,64 15.569,65 7.458,66 51.44,67 8.814,68 0.256,69 1.32,70 35.394,71 11.53,72 40.446,73 13.091,74 0.322,75 1.321,76 37.305,77 11.539,78 59.309,79 12.593,80 0.442,81 1.249,82 29.182,83 10.028,84 73.316,85 11.225,86 0.471,87 1.121,88 30.002,89 9.18,90 73.256,91 10.703,92 0.238,93 0.97,94 25.6,95 8.22,96 40.989,97 10.086,98 0.219,99 0.903,100 28.849,101 7.779,102 33.613,103 9.571,104 10,105 39,106 0.293,107 0.606,108 0.787,109 0.881,110 0.881,111 0.881,112 3.339,113 1.116,114 -4.06,115 -4.01,116 -3.8,117 1,119 42.6,125 3,135 2,142 8,143 3,144 2,145 2,172 11,174 1,175 2,178 2,180 1,183 14,188 6,192 1,193 3,196 12,200 7,205 4,208 4,213 3,216 2,218 4,221 1,224 2,228 1,230 5,233 1,238 2,243 4,250 2,255 4,258 2,264 2,267 1,269 2,272 5,276 1185,277 18.198,278 18.198,279 18.198,280 18.198,281 18.198,282 15.69,283 10.974,284 11.103,285 18.661,286 14.337,287 14.337,288 14.337,289 14.337,290 14.337,291 10.577,292 8.718,293 5.296,294 15.15,295 3.822,296 1.969,297 0.894,298 0.34,299 0.34,300 0.34,301 4.023,305 1,306 1,307 782,308 3.937,312 261.451,316 133.721,319 1.942,320 27.484,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 57.25,332 365,333 4.912,334 4.705,335 7.422,336 4.375,337 3.449,338 4.834,339 0.657,340 12.987,341 3.178,342 4.284,343 2.905,344 6.224,345 3.751,346 2.764,347 4.133,349 9.18,350 2.715,351 4.037,352 2.809,353 5.412,354 3.586,355 2.619,356 3.651,358 7.154,359 2.538,360 3.5,361 2.423,362 4.958,363 3.014,364 2.121,365 2.812,367 5.696,368 1.808,369 3.231,370 2.155,371 4.889,372 2.771,373 1.823,374 2.561,376 5.225,377 1.715,378 3.118,379 1.846,380 4.166,381 2.659,382 1.693,383 2.427,385 3.721,386 1.61,387 2.928,388 1.618,389 3.836,390 2.603,391 1.618,392 1.948,394 3.591,395 1.588,396 2.762,397 1.536,398 3.612,399 2.253,400 1.291,401 1.891,403 2.813,404 1.228,405 2.575,406 1.267,407 3.513,408 2.219,409 1.252,410 1.519,412 2.672,413 1.205,414 2.5,415 1.052,416 3.414,417 2,418 1,419 1.5,421 2.275,422 1,423 2.242,424 1,425 3.299,426 1.736,427 0.774,428 1.108,430 1.82,431 0.739,432 1.909,433 0.786,434 3.043,435 1.575,436 0.629,437 0.769,439 1.373,440 0.584,441 1.252,442 0.508,443 2.688,444 0.996,445 0.077,446 0.086,448 0.168,449 0.061,450 1.043,451 0.154,452 2.511,453 0.571,454 -0.318,455 -0.386,457 -0.686,458 -0.225,459 1,460 -0.022,461 2.29,462 0.51,463 -0.444,464 -0.64,466 -1.121,467 -0.416,468 14.033,469 0.52,470 0.612,471 0.023,472 36.75,473 1.361,474 20.5,475 0.759,476 16.25,477 0.602,478 20.605,479 0.763,480 27.967,481 0.595,482 25.644,483 0.95,484 7.107,485 0.263,486 5.953,487 0.22,488 0.143,489 0.059,490 0.178,496 0.54,497 1.216,498 0.549,499 0.996,500 0.671,501 0.861,502 0.717,503 1.003,504 0.647,505 0.843,506 0.585,507 0.93,508 0.934,509 0.974,510 0.96,511 1.03,512 0.876,513 0.976,514 1.36,515 1.161,516 0.871,517 1.138,518 1.462,519 1.065,520 1.461,521 1.16,522 0.512,523 0.977,524 1.651,525 1,526 1.331,527 0.92,528 0.685,529 0.852,530 1.457,531 0.987,532 0.991,533 1.028,534 0.691,535 0.887,536 0.93,537 1.023,538 0.82,539 1.101,540 0.953,541 1.039,542 0.694,543 1.078,544 5,545 0.128,546 3.111,547 1.688,548 1.316,549 0.604,550 0.343,551 0.193,552 0.123,553 0.137,554 10469,555 32712,556 2.048,557 42.6,559 16,561 2,562 2,567 1.691,568 1.94,569 3.651,570 0.267,572 1,577 81.434,578 1.733,579 3.586,580 4.661,581 5.214,582 5.214,583 5.214,584 3.066,585 4.385,586 4.728,587 3.865,588 1356.6,589 8.153,590 19029.5,592 1,594 1,595 261.066,596 1.369,597 4.689,598 0.172,599 0.007,600 0.08,601 0.043,602 0.039,603 0.02,604 0.015,605 0.01,606 0.006,607 0.008,608 0.4,609 0.33,610 1,611 0.528,612 138.628,613 0.095,614 -0.08,615 0.046,616 -0.05,617 -0.152,618 0.033,619 0.194,620 0.091,621 -0.006,622 0.031,623 0.253,624 -0.047,625 -0.047,626 0.034,627 -0.045,628 -0.008,629 -0.006,630 0.008,631 -0.147,632 -0.165,633 -0.078,634 -0.122,635 -0.108,636 -0.099,637 -0.055,638 -0.159,639 -0.011,640 -0.078,641 -0.053,642 -0.078,643 -0.056,644 0.056,645 -0.035,646 0.018,647 -0.099,648 -0.046,649 -0.097,650 -0.084,651 -0.012,652 -0.016,653 -0.064,654 -0.043,655 -0.01,656 -0.151,657 -0.042,658 -0.113,659 0.007,660 -0.079,661 4.484,662 5.57,663 0.593,664 27.877,665 1.005,666 1.115,667 2.83,668 8.009,669 0.719,670 3.401,671 3.689,672 3.892,673 4.094,674 4.29,675 4.174,676 4.19,677 4.159,678 4.127,679 3.989,680 7.882,681 0.669,682 446.4,683 3.401,684 4.92,685 5.74,686 6.6,687 7.442,688 8.31,689 9.164,690 10.037,691 10.898,692 11.775,693 6.4,695 2,703 1,708 2,709 10,710 1,714 3,716 17,734 1,735 47,737 20,738 2,739 29,740 1,741 49,742 20,743 15,744 5,745 7,746 2,748 3,749 4,762 17,763 3,767 3,770 1,772 2,774 2,780 1,783 20,784 5,785 2,786 7,787 2,792 3,797 0.667,798 2,809 1,816 3,820 1,834 2,838 1,843 2,845 1,846 1,851 27,855 1,858 3,860 2,873 1,874 4.3,877 2,881 13.917,882 8.093,883 6.014,884 2.641,886 3.639,887 1.518,888 1.004,889 6.752,890 10.67,891 3.726,892 4.344,893 4.881,894 5.453,895 6.011,896 6.155,897 6.484,898 6.715,899 6.936,900 6.691,901 0.889,902 39,903 10.186,905 4.455,906 7.815,907 19.053,909 15.465,911 2.315,912 62.5,915 1,916 211.88,917 137.919,918 97.155,920 44.313,922 5.807,923 178.066,924 256.193,925 51.201,927 6.317,928 134.986,929 84.641,930 31.032,932 188.338,933 45.954,934 211.88,935 183.313,936 44.313,937 5.807,938 45.954,939 211.88,940 44.313,943 58.828,944 88.747,945 41.545,946 45.954,947 211.88,948 95.514,949 183.873,951 5.807,952 211.88,953 19.254,954 112.857,955 80.37,956 61.098,957 211.88,958 95.514,959 183.873,961 0.571,962 0.322,963 0.169,964 0.095,965 17,966 7,967 0.163,968 8,969 1,970 1.125,971 4.05,972 210.424,973 0.125,974 16,975 119.627,980 1,981 19.715,982 9.247,983 5.471,984 1.474,985 95.514,986 18.187,987 4.032,991 2.441,993 34.416,994 491.267,995 40.5,998 -3.567,1000 25.141,1002 4.031,1007 47.218,1008 52.412,1009 0.312,1010 0.646,1011 0.839,1012 0.939,1013 0.939,1014 0.939,1015 4.929,1016 1.291,1017 5.727,1018 3.591,1019 4.369,1020 5.03,1021 0.623,1022 6.538,1023 4.266,1024 6.158,1025 1.252,1026 7.29,1027 2.813,1028 4.007,1029 5.037,1031 7.758,1032 3.775,1033 7.496,1034 1,1035 8.982,1036 2.672,1037 5.999,1038 7.376,1039 0.317,1040 10.805,1041 5.785,1042 8.885,1043 0.774,1044 10.76,1045 2.275,1046 6.524,1047 8.259,1049 12.921,1050 6.173,1051 10.317,1052 0.629,1053 12.599,1054 1.82,1055 8.003,1056 10.093,1057 0.149,1058 15.602,1059 7.648,1060 11.781,1061 0.077,1062 14.479,1063 1.373,1064 8.929,1065 11.355,1067 18.012,1068 8.445,1069 13.27,1070 -0.318,1071 16.39,1072 0.168,1073 10.227,1074 13.008,1075 0.067,1076 20.604,1077 9.706,1078 3.449,1079 -0.444,1080 18.322,1081 -0.686,1082 11.327,1083 14.435,1085 23.111,1086 10.689,1087 2.764,1088 12.987,1089 20.271,1090 -1.121,1091 12.568,1092 16.023,1093 0.03,1094 25.68,1095 11.868,1096 2.619,1097 9.18,1098 22.231,1099 4.834,1100 13.742,1101 17.524,1103 28.222,1104 12.935,1105 2.121,1106 7.154,1107 24.201,1108 4.133,1109 14.969,1110 19.09,1111 0.013,1112 30.786,1113 14.085,1114 1.823,1115 5.696,1116 26.178,1117 3.651,1118 16.175,1119 20.624,1121 33.341,1122 15.192,1123 1.693,1124 5.225,1125 28.161,1126 2.812,1127 17.401,1128 22.187,1129 0.006,1130 35.904,1131 16.334,1132 1.618,1133 3.721,1134 30.147,1135 2.561,1136 18.623,1137 23.738,1139 38.464,1140 17.461,1141 10048,1142 17914,1143 19.356,1144 33.779,1145 42.479,1146 43.563,1147 43.023,1148 42.42,1149 42.221,1150 58.478,1151 1.315,1152 117.351,1153 39.938,1154 5.833,1155 6.705,1156 7.275,1157 5.436,1158 5.449,1159 7.834,1160 1.315,1161 20.871,1162 5.178,1163 11.716,1164 1.465,1165 1.502,1166 1.484,1167 1.463,1168 1.456,1169 2.016,1170 0.045,1171 4.047,1172 1.377,1173 4.154,1174 4.15,1175 6.88,1176 4.137,1177 7.717,1178 4.082,1179 3.927,1180 3.953,1181 4.741,1182 3.896,1183 6.999,1184 3.877,1185 3.802,1186 3.814,1187 3.929,1188 3.714,1189 4.97,1190 3.635,1191 3.608,1192 3.652,1193 3.793,1194 3.469,1195 4.78,1196 3.451,1197 3.392,1198 3.45,1199 3.474,1200 3.268,1201 4.428,1202 3.263,1203 3.317,1204 3.355,1205 3.289,1206 3.202,1207 4.393,1208 3.172,1209 2.954,1210 3.024,1211 3.169,1212 2.852,1213 4.121,1214 2.815,1215 2.884,1216 2.932,1217 2.826,1218 2.784,1219 3.842,1220 2.747,1221 0.169,1222 0.162,1223 0.256,1224 0.151,1225 0.119,1226 4.912,1227 0.167,1228 4.705,1229 0.023,1230 7.422,1231 0.448,1232 4.375,1233 0.11,1234 3.449,1235 4.834,1236 0.657,1237 12.987,1238 3.178,1239 2.078,1240 2.076,1241 2.108,1242 2.138,1243 1.306,1244 2.158,1245 1.919,1246 1.896,1247 2.013,1248 1.987,1249 1.148,1250 2.005,1251 1.673,1252 1.652,1253 1.851,1254 1.877,1255 1.079,1256 1.895,1257 1.537,1258 1.509,1259 1.649,1260 1.7,1261 0.847,1262 1.73,1263 1.386,1264 1.331,1265 1.575,1266 1.547,1267 0.64,1268 1.568,1269 1.276,1270 1.248,1271 1.264,1272 1.429,1273 0.533,1274 1.471,1275 0.941,1276 0.881,1277 1.193,1278 1.143,1279 0.326,1280 1.172,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.078,1289 5.371,1291 6.866,1293 8.459,1295 10.108,1296 3.406,1303 1.518,1305 5.838,1314 31.447,1315 81.434,1316 168.536,1317 219.066,1318 245.066,1319 245.066,1320 245.066,1321 54.522,1322 7.031,1323 71.09,1324 79.47,1325 18,1326 12.317,1327 4.392,1328 3.644,1329 47.603,1330 129,1331 131,1332 0.175,1333 205.511,1334 349.39,1335 493.206,1336 11973,1337 2.1,1338 19.115,1339 0.708,1340 0.63,1341 20.365,1342 17.002,1343 13.06,1344 0.45,1345 0.372,1346 8.605,1347 11.385,1348 8.251,1349 6.854,1350 14.459,1351 10.79,1352 11.667,1353 0.299,1354 0.219,1355 13.788,1356 8.56,1357 9.147,1358 0.191,1359 0.125,1360 10.816,1361 6.014,1362 7.256,1363 0.123,1364 0.07,1365 8.618,1366 4.157,1367 5.955,1368 0.083,1369 0.041,1370 7.329,1371 2.948,1372 0.289,1373 97.372,1374 0.227,1375 26.893,1376 0.44,1377 136,1378 399.297,1379 247.221,1380 449.857,1381 596.03,1382 414,1383 155,1384 375.513,1385 236.852,1386 433.158,1387 624.4,1388 406,1389 5.1}
{0 CHEMBL1987793,1 1.345,2 11.97,3 6.833,4 46.687,5 130.722,6 7.509,7 0.73,8 4.153,9 4.251,10 3.737,11 3.784,12 5.274,13 3.753,14 4.661,15 4.8,16 4.099,17 4.179,18 5.791,19 4.129,20 4.918,21 5.098,22 4.206,23 4.332,24 5.916,25 4.263,26 5.001,27 5.176,28 4.238,29 4.374,30 6.031,31 4.302,32 5.077,33 5.259,34 4.229,35 4.398,36 6.156,37 4.314,38 5.161,39 5.363,40 4.157,41 4.356,42 6.283,43 4.259,44 5.124,45 5.361,46 3.865,47 4.212,48 6.177,49 4.067,50 4.904,51 5.188,52 3.676,53 4.024,54 5.698,55 3.869,56 0.035,57 0.704,58 11.13,59 5.467,60 9.195,61 6.811,62 0.207,63 1.192,64 20.221,65 9.099,66 36.556,67 11.62,68 0.29,69 1.551,70 28.206,71 12.035,72 27.362,73 15.707,74 0.253,75 1.67,76 30.575,77 12.979,78 24.057,79 16.602,80 0.238,81 1.773,82 33.651,83 14.28,84 45.168,85 18.094,86 0.358,87 1.924,88 38.565,89 15.316,90 75.39,91 19.194,92 0.707,93 1.837,94 40.113,95 15.171,96 112.279,97 19.365,98 0.274,99 1.532,100 32.737,101 12.898,102 43.945,103 17.861,104 11,105 52,106 0.215,107 0.516,108 0.669,109 0.812,110 0.888,111 0.907,112 3.532,113 0.905,114 -6.25,115 -6.09,116 -5.66,119 50,120 1,121 1,125 2,142 15,143 6,144 1,152 2,158 1,167 1,170 1,172 22,175 7,176 1,178 1,183 27,184 1,187 1,188 7,191 1,193 1,196 24,197 2,199 1,200 8,205 2,208 20,209 5,213 9,218 5,221 17,222 5,225 11,226 1,230 5,233 15,234 1,237 1,238 7,241 1,243 1,246 9,250 6,258 8,259 2,264 6,269 2,272 15,273 3,276 1977,277 22.794,278 22.794,279 22.794,280 22.794,281 22.794,282 19.445,283 14.838,284 13.626,285 23.023,286 18.298,287 18.298,288 18.298,289 18.298,290 18.298,291 13.307,292 14.016,293 6.407,294 18.685,295 4.513,296 2.629,297 1.673,298 0.779,299 0.302,300 0.185,301 4.243,306 1,307 875,308 3.464,311 68.587,312 347.671,315 131.495,316 144.258,319 1.493,320 25.028,323 0.75,324 0.83,325 0.83,326 0.5,327 0.5,328 0.83,329 1,330 0.75,331 69.5,332 395,333 4.837,334 3.697,335 7.247,336 4.411,337 3.435,338 4.787,339 1.437,340 12.901,341 3.356,342 4.493,343 3.211,344 6.505,345 4.013,346 3.03,347 4.43,348 0.86,349 10.194,350 2.98,351 4.155,352 3.165,353 6.298,354 3.751,355 2.766,356 3.795,358 9.342,359 2.723,360 3.839,361 2.846,362 5.954,363 3.424,364 2.431,365 3.281,367 8.023,368 2.402,369 3.516,370 2.434,371 5.457,372 3.099,373 2.15,374 2.908,376 6.501,377 2.035,378 3.428,379 2.203,380 5.203,381 3.018,382 2.051,383 2.783,385 6.25,386 1.978,387 3.129,388 2.008,389 4.553,390 2.697,391 1.702,392 2.427,394 4.224,395 1.682,396 3.118,397 1.681,398 4.179,399 2.618,400 1.618,401 2.326,403 3.824,404 1.618,405 2.865,406 1.618,407 4.075,408 2.441,409 1.474,410 2.027,412 3.342,413 1.419,414 2.781,415 1.502,416 3.758,417 2.414,418 1.414,419 1.908,421 3.123,422 1.414,423 2.772,424 1.328,425 3.621,426 2.302,427 1.303,428 1.896,430 2.942,431 1.3,432 2.683,433 1.276,434 3.603,435 2.268,436 1.269,437 1.724,439 2.834,440 1.267,441 2.554,442 1.265,443 3.585,444 2.099,445 1.123,446 1.538,448 2.675,449 1.086,450 2.345,451 1.124,452 3.51,453 1.91,454 0.93,455 1.276,457 2.216,458 0.905,459 2.17,460 0.867,461 3.289,462 1.748,463 0.762,464 1.052,466 1.859,467 0.749,468 15.9,469 0.482,470 0.696,471 0.021,472 46.25,473 1.402,474 26,475 0.788,476 20.25,477 0.614,478 26.985,479 0.818,480 33.3,481 0.574,482 36.794,483 1.115,484 9.315,485 0.282,486 6.832,487 0.207,488 0.073,490 0.34,496 0.786,497 1.035,498 0.774,499 0.931,500 0.726,501 0.864,502 0.764,503 1.039,504 0.86,505 0.945,506 0.45,507 0.915,508 0.837,509 0.941,510 0.875,511 0.899,512 0.642,513 0.891,514 1.055,515 1.08,516 1.011,517 1.065,518 0.848,519 1.033,520 1.207,521 1.181,522 1.091,523 1.157,524 1.199,525 1.118,526 1.523,527 1.186,528 1.208,529 1.182,530 1.681,531 1.159,532 1.504,533 0.988,534 1.247,535 0.999,536 1.84,537 1.079,538 0.773,539 0.833,540 0.82,541 0.814,542 0.571,543 0.82,544 4,545 0.246,546 3.556,547 3.174,548 2.38,549 1.254,550 0.568,551 0.346,552 0.264,553 0.257,554 15764,555 37937,556 2.15,557 43.1,558 3,559 19,562 1,565 2,567 1.754,568 2.041,569 3.468,570 -0.472,577 78.03,578 1.345,579 3.229,580 4.185,581 5.079,582 5.556,583 5.673,584 2.831,585 4.718,586 5.019,587 3.687,588 1946.73,589 8.799,590 28878.8,595 339.763,596 1.301,597 4.989,598 0.108,599 0.006,600 0.068,601 0.056,602 0.042,603 0.023,604 0.012,605 0.01,606 0.009,607 0.007,608 0.341,609 0.33,610 0.75,611 0.62,612 174.07,613 -0.03,614 -0.025,615 0.045,616 0.026,617 -0.078,618 0.039,619 0.101,620 -0.015,621 0.02,622 0.01,623 0.178,624 0.006,625 0.067,626 0.08,627 0.061,628 0.065,629 0.012,630 0.061,631 -0.011,632 -0.067,633 -0.065,634 -0.105,635 -0.021,636 -0.092,637 -0.074,638 -0.196,639 -0.125,640 -0.188,641 -0.033,642 -0.167,643 -0.129,644 -0.195,645 -0.186,646 -0.218,647 -0.088,648 -0.209,649 -0.031,650 -0.015,651 -0.169,652 -0.017,653 -0.168,654 -0.096,655 0.034,656 0.146,657 0.236,658 0.191,659 0.05,660 0.231,661 2.584,662 5.445,663 0.758,664 31.493,665 0.995,666 1.105,667 5.018,668 25.183,669 0.698,670 3.638,671 3.97,672 4.317,673 4.663,674 4.934,675 4.997,676 5.088,677 5.176,678 5.209,679 5.193,680 7.152,681 0.664,682 435.55,683 3.638,684 5.187,685 6.066,686 6.969,687 7.873,688 8.787,689 9.7,690 10.619,691 11.538,692 12.46,693 1.7,701 1,708 4,709 15,714 5,715 1,716 27,725 1,733 1,735 58,737 28,738 4,739 37,741 62,742 29,743 24,744 7,745 15,746 1,748 5,749 7,754 1,760 1,762 25,763 4,767 1,772 1,776 1,783 25,784 3,785 1,786 4,792 1,797 0.6,798 3,811 1,815 1,816 4,819 1,820 1,841 1,843 3,847 1,851 33,857 1,858 3,861 1,874 5.2,876 1,877 1,879 1,881 16.167,882 10.733,883 7.278,884 3.556,886 5.038,887 1.611,888 1.014,889 5.89,890 13.29,891 3.961,892 4.627,893 5.321,894 6.009,895 6.617,896 6.949,897 7.354,898 7.747,899 8.001,900 8.105,901 0.875,902 57,903 12.233,905 5.278,906 7.672,907 23.537,909 19.695,911 2.172,912 71.667,916 282.506,917 188.531,918 1.899,920 78.828,923 188.531,924 361.335,925 1.899,926 8.825,927 9.233,928 142.144,929 68.738,930 35.418,931 4.901,932 282.506,934 282.506,935 190.43,936 78.828,939 258.964,940 102.37,943 19.957,944 170.474,947 282.506,948 80.727,949 188.531,952 282.506,953 37.562,954 152.868,956 78.828,957 282.506,958 80.727,959 188.531,961 0.576,962 0.352,963 0.214,964 0.125,965 26,966 11,967 0.113,968 7,969 2,970 1.16,971 4.345,972 320.784,973 0.16,974 25,975 160.465,981 21.296,982 9.127,983 4.007,984 4.111,985 78.828,986 30.062,991 3.977,992 1.923,993 42.683,994 551.765,995 51.5,1000 12.445,1004 -0.917,1007 57.687,1008 64.109,1009 0.23,1010 0.551,1011 0.714,1012 0.867,1013 0.948,1014 0.968,1015 5.186,1016 1.618,1017 6.047,1018 4.224,1019 4.654,1020 5.316,1021 1.888,1022 6.917,1023 4.614,1024 6.414,1025 1.474,1026 7.634,1027 3.824,1028 4.205,1029 5.165,1031 7.966,1032 4.139,1033 7.74,1034 1.414,1035 9.333,1036 3.342,1037 6.279,1038 7.637,1039 2.362,1040 11.157,1041 6.198,1042 9.112,1043 1.303,1044 11.102,1045 3.123,1046 6.735,1047 8.397,1049 13.112,1050 6.626,1051 10.523,1052 1.269,1053 12.917,1054 2.942,1055 8.251,1056 10.307,1057 2.965,1058 15.83,1059 8.13,1060 11.964,1061 1.123,1062 14.763,1063 2.834,1064 9.128,1065 11.494,1067 18.139,1068 8.979,1069 13.429,1070 0.93,1071 16.632,1072 2.675,1073 10.434,1074 13.178,1075 3.635,1076 20.721,1077 10.269,1078 3.435,1079 0.762,1080 18.518,1081 2.216,1082 11.5,1083 14.563,1085 23.172,1086 11.308,1087 3.03,1088 12.901,1089 20.417,1090 1.859,1091 12.732,1092 16.156,1093 4.335,1094 25.72,1095 12.521,1096 2.766,1097 10.194,1098 22.327,1099 4.787,1100 13.88,1101 17.629,1103 28.228,1104 13.643,1105 2.431,1106 9.342,1107 24.245,1108 4.43,1109 15.092,1110 19.19,1111 5.05,1112 30.772,1113 14.834,1114 2.15,1115 8.023,1116 26.171,1117 3.795,1118 16.276,1119 20.703,1121 33.305,1122 15.993,1123 2.051,1124 6.501,1125 28.104,1126 3.281,1127 17.486,1128 22.253,1129 5.77,1130 35.852,1131 17.18,1132 1.702,1133 6.25,1134 30.042,1135 2.908,1136 18.689,1137 23.785,1139 38.396,1140 18.358,1141 14611,1142 22815,1143 25.255,1144 40.506,1145 56,1146 56.844,1147 57.696,1148 55.627,1149 55.622,1150 77.163,1151 4.593,1152 162.152,1153 54.491,1154 5.743,1155 5.697,1156 6.937,1157 5.482,1158 5.435,1159 7.787,1160 2.873,1161 20.577,1162 5.356,1163 12.925,1164 1.514,1165 1.536,1166 1.559,1167 1.503,1168 1.503,1169 2.085,1170 0.124,1171 4.382,1172 1.473,1173 4.184,1174 4.21,1175 4.155,1176 4.109,1177 7.475,1178 4.117,1179 4.073,1180 4.09,1181 4.03,1182 4.028,1183 6.351,1184 4.026,1185 3.859,1186 3.891,1187 3.79,1188 3.8,1189 4.963,1190 3.794,1191 3.615,1192 3.667,1193 3.499,1194 3.468,1195 4.904,1196 3.466,1197 3.486,1198 3.515,1199 3.407,1200 3.379,1201 4.689,1202 3.374,1203 3.421,1204 3.454,1205 3.307,1206 3.279,1207 4.508,1208 3.282,1209 3.17,1210 3.257,1211 3.039,1212 3.024,1213 4.255,1214 3.001,1215 3.123,1216 3.149,1217 2.98,1218 2.964,1219 4.177,1220 2.963,1221 0.131,1222 0.1,1223 0.196,1224 0.119,1225 0.093,1226 4.837,1227 0.129,1228 3.697,1229 0.039,1230 7.247,1231 0.349,1232 4.411,1233 0.091,1234 3.435,1235 4.787,1236 1.437,1237 12.901,1238 3.356,1239 2.063,1240 2.047,1241 2.146,1242 2.126,1243 1.284,1244 2.133,1245 1.989,1246 1.97,1247 2.08,1248 2.049,1249 1.246,1250 2.06,1251 1.887,1252 1.855,1253 2.005,1254 2.005,1255 1.219,1256 2.006,1257 1.663,1258 1.618,1259 1.867,1260 1.827,1261 1.053,1262 1.841,1263 1.484,1264 1.45,1265 1.658,1266 1.652,1267 0.731,1268 1.637,1269 1.402,1270 1.367,1271 1.555,1272 1.568,1273 0.683,1274 1.579,1275 1.208,1276 1.128,1277 1.537,1278 1.418,1279 0.602,1280 1.469,1281 1.086,1282 1.045,1283 1.298,1284 1.307,1285 0.456,1286 1.292,1287 4.317,1289 5.645,1290 2.398,1291 7.188,1292 4.949,1293 8.833,1294 7.248,1295 10.534,1297 2.019,1302 10.201,1303 1.744,1306 6.103,1314 38.487,1315 78.03,1316 187.272,1317 242.753,1318 294.602,1319 322.253,1320 329.008,1321 53.692,1322 8.252,1323 51.46,1324 51.46,1325 29,1326 12.968,1327 4.858,1328 3.954,1329 47.797,1330 139,1331 141,1332 0.162,1333 232.708,1334 397.01,1335 559.568,1336 50127,1338 22.786,1339 0.69,1340 0.56,1341 22.786,1342 18.492,1343 16.148,1344 0.436,1345 0.302,1346 11.072,1347 15.783,1348 10.792,1349 8.946,1350 16.148,1351 11.16,1352 14.284,1353 0.275,1354 0.158,1355 14.284,1356 8.192,1357 12.386,1358 0.167,1359 0.083,1360 12.386,1361 6.121,1362 11.136,1363 0.106,1364 0.044,1365 11.136,1366 4.61,1367 9.605,1368 0.07,1369 0.024,1370 9.605,1371 3.328,1372 0.255,1373 99.488,1374 0.199,1375 30.489,1376 0.446,1377 178,1378 465.266,1379 188.719,1380 456.891,1381 639.35,1382 430,1383 215,1384 480.642,1385 225.751,1386 490.54,1387 726.42,1388 465,1389 5.1}
{0 CHEMBL1987910,1 1.856,2 12.133,3 4.487,4 20.136,5 111.743,6 9.522,7 0.667,8 3.945,9 4.047,10 3.735,11 3.562,12 5.222,13 3.556,14 4.435,15 4.55,16 4.186,17 3.948,18 6.167,19 3.926,20 4.618,21 4.776,22 4.16,23 4.04,24 5.904,25 4.004,26 4.717,27 4.89,28 4.238,29 4.01,30 6.162,31 3.982,32 4.725,33 4.924,34 4.007,35 3.893,36 6.121,37 3.853,38 4.534,39 4.731,40 3.865,41 3.702,42 6.2,43 3.666,44 4.331,45 4.542,46 3.594,47 3.608,48 5.521,49 3.549,50 4.272,51 4.469,52 3.656,53 3.56,54 5.595,55 3.51,56 0.19,57 0.897,58 5.456,59 3.894,60 31.209,61 3.674,62 0.852,63 1.778,64 11.868,65 7.027,66 135.135,67 6.807,68 0.491,69 1.599,70 16.154,71 8.296,72 63.973,73 8.464,74 0.74,75 1.866,76 20.386,77 9.172,78 77.462,79 9.426,80 0.926,81 1.723,82 27.672,83 10.286,84 141.282,85 9.486,86 1.098,87 1.323,88 21.117,89 7.484,90 174.188,91 7.632,92 0.48,93 1.096,94 14.911,95 6.272,96 70.807,97 7.179,98 0.363,99 1.102,100 14.176,101 6.64,102 41.421,103 7.716,104 27,105 48,106 0.314,107 0.609,108 0.749,109 0.849,110 0.874,111 0.874,112 3.44,113 0.879,114 -5.23,115 -5.12,116 -4.79,119 46.7,132 1,142 9,143 4,144 2,145 1,147 1,151 1,152 1,159 1,163 1,164 1,165 1,172 10,175 2,177 1,178 3,179 1,180 5,183 15,185 1,188 1,193 5,196 10,198 1,200 6,205 9,208 5,210 3,213 6,218 7,221 4,223 2,225 4,230 5,233 6,235 2,238 1,243 2,246 8,250 1,253 1,254 1,255 2,257 1,258 8,264 1,269 1,272 6,276 1400,277 19.833,278 19.833,279 19.833,280 19.833,281 19.833,282 17.103,283 17.508,284 11.504,285 20.44,286 16.304,287 16.304,288 16.304,289 16.304,290 16.304,291 12.21,292 22.606,293 5.447,294 17.353,295 3.635,296 1.896,297 1.068,298 0.478,299 0.328,300 0.328,301 4.132,305 1,306 1,307 788,308 3.873,311 71.312,312 295.44,315 133.971,319 1.991,320 47.052,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 67.5,332 364,333 4.666,334 4.47,335 7.248,336 4.255,337 3.377,338 4.626,339 3.825,340 12.24,341 3.131,342 4.539,343 3.562,344 6.884,345 4.198,346 3.229,347 4,348 1.656,349 11.489,350 3.008,351 4.066,352 3.244,353 5.857,354 3.661,355 2.696,356 3.672,357 0.247,358 8.078,359 2.6,360 3.797,361 2.688,362 5.674,363 3.457,364 2.512,365 3.088,367 7.704,368 2.359,369 3.624,370 2.624,371 5.409,372 3.25,373 2.309,374 2.885,376 7.043,377 2.123,378 3.425,379 2.322,380 5.034,381 2.93,382 2,383 2.807,385 5.678,386 1.879,387 3.362,388 2.058,389 4.77,390 2.874,391 1.927,392 2.607,394 5.253,395 1.757,396 2.989,397 1.544,398 4.411,399 2.487,400 1.513,401 2.212,403 4.053,404 1.469,405 2.846,406 1.538,407 4.064,408 2.375,409 1.381,410 1.978,412 3.282,413 1.368,414 2.583,415 1.334,416 3.81,417 2.116,418 1.153,419 1.616,421 2.825,422 1.092,423 2.553,424 1.088,425 3.607,426 2.006,427 1.064,428 1.577,430 2.685,431 1,432 2.5,433 1,434 3.414,435 2,436 1,437 1.5,439 2.275,440 0.993,441 2.187,442 0.807,443 3.313,444 1.582,445 0.744,446 1.053,448 1.81,449 0.607,450 1.338,451 0.643,452 2.965,453 1.055,454 0.114,455 0.133,457 0.305,458 0.107,459 1.251,460 0.51,461 2.724,462 0.833,463 -0.162,464 -0.21,466 -0.389,467 -0.158,468 14.124,469 0.471,470 0.932,471 0.031,472 42.25,473 1.408,474 23,475 0.767,476 19.25,477 0.642,478 21.84,479 0.728,480 31.476,481 0.699,482 34.423,483 1.147,484 8.499,485 0.283,486 5.827,487 0.194,488 0.113,489 0.035,490 0.319,493 3,496 0.63,497 0.838,498 0.65,499 0.757,500 0.629,501 0.722,502 0.352,503 0.697,504 0.765,505 0.908,506 0.366,507 0.919,508 0.709,509 0.898,510 0.876,511 0.965,512 0.635,513 0.996,514 0.867,515 1.052,516 0.954,517 1.14,518 0.866,519 1.116,520 1.362,521 1.063,522 1.359,523 1.109,524 1.349,525 1.085,526 0.812,527 0.673,528 1.054,529 0.826,530 0.85,531 0.965,532 0.786,533 0.81,534 0.835,535 0.861,536 0.775,537 1.033,538 0.631,539 0.977,540 0.767,541 1.095,542 0.614,543 1.093,544 7,545 0.149,546 3.778,547 2.688,548 1.846,549 1.077,550 0.529,551 0.43,552 0.254,553 0.252,554 12814,555 47265,556 2.059,557 33.3,559 9,560 1,561 1,562 4,567 1.723,568 1.905,569 3.517,570 1.664,572 1,577 83.536,578 1.856,579 3.595,580 4.424,581 5.014,582 5.164,583 5.164,584 2.915,585 4.615,586 4.884,587 3.768,588 1638.9,589 8.485,590 23631.4,592 1,594 1,595 247.133,596 1.615,597 4.82,598 0.212,599 0.007,600 0.079,601 0.056,602 0.039,603 0.028,604 0.016,605 0.016,606 0.009,607 0.01,608 0.473,609 0.17,610 1,611 0.758,612 156.235,613 -0.084,614 0.027,615 0.007,616 0.118,617 -0.126,618 0.099,619 0.467,620 0.317,621 0.041,622 0.05,623 0.425,624 -0.062,625 -0.076,626 -0.106,627 -0.044,628 -0.049,629 -0.031,630 -0.057,631 0.016,632 -0.114,633 -0.001,634 -0.173,635 -0.003,636 -0.16,637 -0.255,638 -0.077,639 -0.24,640 -0.066,641 -0.207,642 -0.071,643 0.213,644 0.195,645 -0.069,646 0.104,647 0.216,648 0.014,649 -0.071,650 -0.025,651 -0.001,652 0.008,653 -0.09,654 0.005,655 0.089,656 -0.182,657 0.146,658 -0.152,659 0.092,660 -0.026,661 5.814,662 5.181,663 0.7,664 29.333,665 1.034,666 1.134,667 4.003,668 16.022,669 0.717,670 3.526,671 3.892,672 4.143,673 4.431,674 4.595,675 4.625,676 4.7,677 4.828,678 4.844,679 4.927,680 7.506,681 0.707,682 428.47,683 3.526,684 5.094,685 5.948,686 6.849,687 7.72,688 8.622,689 9.499,690 10.401,691 11.282,692 12.184,693 8.9,697 1,700 2,703 1,708 2,709 11,710 1,713 1,714 6,716 22,727 1,735 45,737 23,738 2,739 33,741 48,742 21,743 19,744 4,745 8,748 4,749 5,753 1,754 1,759 1,762 20,763 1,767 1,772 1,776 1,780 1,781 3,783 15,784 8,785 4,786 9,787 1,792 4,797 0.75,798 1,809 1,815 1,816 3,819 1,843 3,845 1,849 3,851 30,852 1,860 2,865 1,869 1,873 3,874 2.2,877 1,881 15.75,882 7.962,883 6.389,884 2.404,886 4.268,887 1.545,888 1.043,889 5.459,890 12.094,891 3.829,892 4.48,893 5.087,894 5.722,895 6.235,896 6.514,897 6.923,898 7.358,899 7.592,900 7.94,901 0.875,902 48,903 11.579,905 5.537,906 8.269,907 20.163,909 16.613,911 2.769,912 83.083,915 1,916 129.482,917 166.013,918 85.704,920 25.145,921 44.88,922 31.278,923 134.735,924 154.627,925 130.585,927 36.022,928 125.832,929 53.702,930 71.571,931 19.121,932 137.218,933 7.76,934 129.482,935 220.439,936 70.025,937 31.278,939 129.482,940 70.025,943 52.828,944 150.825,945 16.786,946 31.278,947 174.362,948 110.849,949 166.013,952 137.242,953 56.27,954 101.983,955 36.022,956 119.708,957 129.482,958 155.729,959 166.013,961 0.594,962 0.339,963 0.189,964 0.098,965 24,966 11,967 0.063,968 3,969 1,970 1.095,971 4.123,972 266.573,973 0.095,974 21,975 138.452,977 1,981 20.33,982 8.056,983 4.329,984 1.882,985 155.729,986 17.251,987 4.126,990 1.551,991 1.461,993 68.919,994 451.224,995 45,1000 12.181,1004 -0.77,1007 46.534,1008 51.048,1009 0.338,1010 0.655,1011 0.806,1012 0.913,1013 0.94,1014 0.94,1015 5.078,1016 1.513,1017 5.979,1018 5.253,1019 4.575,1020 5.168,1021 3.244,1022 6.847,1023 4.458,1024 6.325,1025 1.381,1026 7.579,1027 4.053,1028 4.369,1029 5.066,1030 3.949,1031 8.028,1032 4.12,1033 7.66,1034 1.153,1035 9.292,1036 3.282,1037 6.263,1038 7.432,1039 5.464,1040 11.086,1041 6.024,1042 9.032,1043 1.064,1044 11.073,1045 2.825,1046 6.858,1047 8.144,1048 6.701,1049 13.09,1050 6.48,1051 10.437,1052 1,1053 12.9,1054 2.685,1055 8.286,1056 10.012,1057 8.065,1058 15.743,1059 7.9,1060 11.865,1061 0.744,1062 14.759,1063 2.275,1064 9.224,1065 11.126,1066 9.391,1067 18.05,1068 8.716,1069 13.312,1070 0.114,1071 16.641,1072 1.81,1073 10.49,1074 12.783,1075 10.736,1076 20.585,1077 9.948,1078 3.377,1079 -0.162,1080 18.541,1081 0.305,1082 11.577,1083 14.101,1084 12.075,1085 23.003,1086 10.931,1087 3.229,1088 12.24,1089 20.455,1090 -0.389,1091 12.789,1092 15.669,1093 13.417,1094 25.503,1095 12.089,1096 2.696,1097 11.489,1098 22.38,1099 4.626,1100 13.939,1101 17.089,1102 14.758,1103 27.963,1104 13.147,1105 2.512,1106 8.078,1107 24.313,1108 4,1109 15.136,1110 18.622,1111 16.1,1112 30.452,1113 14.279,1114 2.309,1115 7.704,1116 26.253,1117 3.672,1118 16.313,1119 20.092,1120 17.441,1121 32.928,1122 15.372,1123 2,1124 7.043,1125 28.198,1126 3.088,1127 17.509,1128 21.613,1129 18.783,1130 35.416,1131 16.496,1132 1.927,1133 5.678,1134 30.147,1135 2.885,1136 18.698,1137 23.109,1138 20.124,1139 37.899,1140 17.605,1141 12156,1142 23538,1143 21.671,1144 32.267,1145 50.817,1146 50.681,1147 51.463,1148 50.189,1149 50.039,1150 67.507,1151 11.457,1152 149.437,1153 46.989,1154 5.545,1155 6.47,1156 6.928,1157 5.35,1158 5.377,1159 7.626,1160 5.335,1161 19.753,1162 5.131,1163 16.211,1164 1.54,1165 1.536,1166 1.559,1167 1.521,1168 1.516,1169 2.046,1170 0.347,1171 4.528,1172 1.424,1173 4.106,1174 4.119,1175 4.33,1176 4.112,1177 8.513,1178 4.069,1179 3.949,1180 3.979,1181 3.921,1182 3.861,1183 7.999,1184 3.864,1185 3.838,1186 3.87,1187 3.812,1188 3.776,1189 7.999,1190 3.766,1191 3.436,1192 3.481,1193 3.453,1194 3.226,1195 7.431,1196 3.237,1197 3.316,1198 3.363,1199 3.389,1200 3.102,1201 5.189,1202 3.111,1203 3.267,1204 3.31,1205 3.31,1206 3.01,1207 4.783,1208 3.064,1209 3.068,1210 3.161,1211 3.006,1212 2.901,1213 4.709,1214 2.881,1215 2.87,1216 2.941,1217 2.774,1218 2.735,1219 4.613,1220 2.717,1221 0.141,1222 0.135,1223 0.22,1224 0.129,1225 0.102,1226 4.666,1227 0.14,1228 4.47,1229 0.116,1230 7.248,1231 0.371,1232 4.255,1233 0.095,1234 3.377,1235 4.626,1236 3.825,1237 12.24,1238 3.131,1239 1.957,1240 1.936,1241 2.037,1242 2.047,1243 1.171,1244 2.043,1245 1.903,1246 1.878,1247 1.998,1248 2.007,1249 1.101,1250 2.002,1251 1.808,1252 1.786,1253 1.869,1254 1.915,1255 0.989,1256 1.915,1257 1.407,1258 1.394,1259 1.459,1260 1.599,1261 0.641,1262 1.565,1263 1.218,1264 1.179,1265 1.342,1266 1.44,1267 0.324,1268 1.424,1269 1.096,1270 1.06,1271 1.211,1272 1.393,1273 0.261,1274 1.343,1275 0.915,1276 0.839,1277 1.204,1278 1.248,1279 0.218,1280 1.251,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.15,1286 1.107,1287 4.205,1289 5.557,1290 2.398,1291 7.096,1292 4.727,1293 8.721,1294 6.862,1295 10.392,1299 39.18,1301 6.001,1305 4.784,1310 -4.564,1314 31.825,1315 83.536,1316 161.795,1317 199.094,1318 225.624,1319 232.379,1320 232.379,1321 64.281,1322 7.826,1323 80.04,1324 108.28,1325 23,1326 12.708,1327 4.585,1328 3.7,1329 47.383,1330 139,1331 104,1332 0.167,1333 196.334,1334 339.29,1335 470.814,1336 30147,1337 6.7,1338 21.303,1339 0.71,1340 0.538,1341 19.156,1342 16.142,1343 14.326,1344 0.434,1345 0.293,1346 8.719,1347 13.26,1348 8.524,1349 7.014,1350 13.568,1351 9.67,1352 13.861,1353 0.289,1354 0.153,1355 12.417,1356 7.33,1357 10.76,1358 0.174,1359 0.087,1360 10.701,1361 5.397,1362 9.473,1363 0.114,1364 0.049,1365 9.448,1366 4.05,1367 7.307,1368 0.075,1369 0.027,1370 7.546,1371 2.622,1372 0.268,1373 94.881,1374 0.215,1375 28.641,1376 0.44,1377 162,1378 662.552,1379 210.591,1380 587.949,1381 774.06,1382 544,1383 191,1384 534.853,1385 229.675,1386 539.783,1387 809.04,1388 507,1389 5.1}
{0 CHEMBL1987948,1 1.843,2 10.964,3 2.618,4 6.856,5 110.088,6 8.591,7 0.516,8 4.015,9 4.129,10 3.839,11 3.579,12 5.051,13 3.542,14 4.588,15 4.749,16 4.13,17 3.979,18 5.87,19 3.927,20 4.878,21 5.106,22 4.082,23 4.094,24 5.875,25 4,26 4.859,27 5.099,28 4.132,29 4.072,30 5.844,31 3.965,32 4.849,33 5.076,34 4.078,35 4.029,36 5.916,37 3.933,38 4.785,39 5.009,40 4.119,41 3.978,42 5.923,43 3.88,44 4.661,45 4.875,46 3.953,47 3.878,48 5.76,49 3.764,50 4.511,51 4.729,52 3.866,53 3.774,54 5.665,55 3.649,56 0.131,57 0.811,58 11.204,59 4.458,60 18.393,61 5.311,62 0.488,63 1.283,64 22.342,65 8.119,66 65.264,67 10.062,68 0.602,69 1.508,70 32.225,71 10.04,72 77.676,73 13.083,74 0.571,75 1.478,76 35.593,77 10.769,78 61.176,79 14.001,80 0.656,81 1.414,82 34.897,83 9.87,84 84.224,85 12.415,86 0.713,87 1.279,88 34.877,89 9.808,90 78.144,91 12.362,92 0.636,93 1.102,94 32.729,95 8.19,96 71.434,97 10.53,98 0.493,99 0.975,100 26.225,101 7.882,102 56.84,103 10.445,104 19,105 45,106 0.31,107 0.648,108 0.808,109 0.879,110 0.892,111 0.892,112 3.375,113 1.098,114 -3.27,115 -3.26,116 -3.13,119 36.7,121 4,124 1,127 2,142 3,143 2,145 1,146 1,147 1,150 1,151 1,161 1,172 5,174 2,175 6,178 5,180 6,183 7,188 3,193 3,196 3,200 11,203 1,204 1,205 7,208 2,212 1,213 7,218 1,221 2,225 5,228 5,229 1,230 2,233 7,237 1,238 2,241 1,243 1,246 6,249 4,255 5,258 6,264 2,269 2,272 4,276 1228,277 18.497,278 18.497,279 18.497,280 18.497,281 18.497,282 16.278,283 15.961,284 10.827,285 19.056,286 15.397,287 15.397,288 15.397,289 15.397,290 15.397,291 11.986,292 25.382,293 5.235,294 16.398,295 3.772,296 1.755,297 0.806,298 0.383,299 0.301,300 0.301,301 4.069,303 1,305 1,306 1,307 666,308 3.464,311 58.407,312 253.831,315 110.858,319 1.684,320 34.048,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 61.333,332 307,333 4.635,334 4.311,335 6.714,336 4.141,337 3.168,338 4.535,339 0.4,340 10.928,341 3.088,342 4.6,343 3.205,344 6.457,345 4.078,346 3.141,347 4.429,349 10.203,350 2.923,351 4.152,352 2.98,353 5.874,354 3.706,355 2.777,356 3.816,358 8.399,359 2.592,360 3.69,361 2.792,362 5.61,363 3.526,364 2.572,365 2.96,367 7.671,368 2.432,369 3.522,370 2.433,371 5.313,372 3.135,373 2.192,374 2.702,376 6.729,377 2.059,378 3.285,379 2.293,380 4.948,381 2.925,382 2.034,383 2.463,385 5.804,386 1.804,387 3.046,388 1.928,389 4.651,390 2.654,391 1.744,392 2.319,394 4.994,395 1.522,396 2.942,397 1.547,398 4.501,399 2.513,400 1.547,401 2.123,403 4.229,404 1.488,405 2.86,406 1.458,407 4.004,408 2.374,409 1.434,410 1.893,412 3.443,413 1.322,414 2.524,415 1.229,416 3.564,417 2.18,418 1.189,419 1.535,421 2.627,422 1.177,423 2.199,424 1.035,425 3.501,426 1.988,427 1.027,428 1.196,430 2.556,431 0.981,432 1.973,433 0.736,434 3.108,435 1.428,436 0.488,437 0.721,439 1.178,440 0.457,441 1.177,442 0.495,443 3.094,444 0.941,450 1,451 0.223,452 2.93,453 0.856,454 -0.102,455 -0.107,457 -0.3,458 -0.097,459 1,460 0.146,461 2.556,462 0.407,463 -0.399,464 -0.504,466 -1.016,467 -0.249,468 13.614,469 0.486,470 0.887,471 0.032,472 36.5,473 1.304,474 17.5,475 0.625,476 19,477 0.679,478 25.091,479 0.896,480 30.786,481 0.628,482 25.72,483 0.919,484 6.461,485 0.231,486 6.91,487 0.247,488 0.138,489 0.061,490 0.294,496 0.636,497 1.482,498 0.702,499 1.178,500 0.661,501 0.924,502 0.532,503 1.184,504 0.87,505 1.141,506 0.426,507 1.019,508 1.153,509 1.033,510 0.853,511 0.818,512 1.08,513 0.936,514 0.757,515 1.023,516 0.856,517 0.98,518 0.656,519 0.92,520 1.305,521 0.996,522 1.022,523 0.914,524 1.326,525 0.94,526 1.071,527 0.907,528 1.084,529 0.921,530 1.133,531 0.923,532 1.389,533 0.872,534 1.416,535 0.998,536 1.295,537 1.088,538 0.666,539 1.007,540 1.095,541 1.014,542 0.541,543 1.058,544 7.5,545 0.16,546 2.222,547 2.382,548 1.303,549 0.861,550 0.715,551 0.398,552 0.272,553 0.233,554 9952,555 31325,556 2.085,557 42.9,558 2,559 8,560 1,561 1,562 3,564 4,565 2,567 1.711,568 1.942,569 3.423,570 1.023,571 1,572 1,577 90.314,578 1.843,579 3.86,580 4.808,581 5.232,582 5.314,583 5.314,584 2.897,585 4.423,586 4.781,587 3.609,588 1364.37,589 8.313,590 18021.6,592 1,594 1,595 275.121,596 1.572,597 4.728,598 0.242,599 0.007,600 0.049,601 0.058,602 0.032,603 0.023,604 0.019,605 0.013,606 0.009,607 0.01,608 0.462,609 0.33,610 1,611 0.916,612 140.676,613 0.019,614 -0.207,615 0.138,616 -0.075,617 -0.13,618 0.03,619 0.299,620 -0.033,621 -0.043,622 -0.14,623 0.362,624 -0.077,625 -0.219,626 -0.045,627 -0.049,628 0.066,629 -0.156,630 0.013,631 0.045,632 -0.029,633 0.065,634 0.007,635 0.033,636 0.074,637 -0.235,638 -0.011,639 -0.076,640 0.036,641 -0.211,642 0.011,643 0.027,644 0.052,645 -0.001,646 0.043,647 -0.057,648 0.046,649 -0.233,650 0.072,651 -0.203,652 -0.052,653 -0.235,654 -0.122,655 0.225,656 -0.07,657 0.012,658 -0.042,659 0.2,660 -0.043,661 4.14,662 4.511,663 0.75,664 25,665 1.015,666 1.135,667 2.043,668 4.172,669 0.684,670 3.466,671 3.829,672 4.025,673 4.357,674 4.543,675 4.644,676 4.754,677 4.934,678 4.905,679 5.063,680 6.623,681 0.649,682 420.97,683 3.466,684 5.03,685 5.866,686 6.767,687 7.62,688 8.523,689 9.385,690 10.288,691 11.155,692 12.058,693 12.2,695 1,698 1,701 1,703 3,708 2,709 5,710 3,711 1,714 4,716 16,728 1,734 1,735 49,737 18,739 31,741 52,742 18,743 11,748 4,749 5,750 1,757 6,760 6,762 11,763 7,767 2,770 1,772 2,780 1,783 21,784 7,785 3,786 10,787 2,792 6,797 0.75,798 2,809 1,810 1,811 1,815 1,816 3,819 1,843 3,845 1,847 1,848 1,851 28,855 1,858 4,860 2,863 2,873 1,874 4.1,877 2,881 14.417,882 8.826,883 5.875,884 2.901,886 3.334,887 1.432,888 1.004,889 5.454,890 11.051,891 3.738,892 4.391,893 4.867,894 5.511,895 6.019,896 6.377,897 6.814,898 7.278,899 7.478,900 7.869,901 1,902 41,903 10.509,905 4.717,906 7.864,907 19.811,909 16.89,911 2.364,912 66.194,915 1,916 211.88,917 84.861,918 101.558,919 39.149,920 44.313,922 5.807,923 79.054,924 295.341,925 101.558,926 7.19,927 10.138,928 59.689,929 126.167,930 34.348,931 55.891,932 188.338,934 211.88,935 180.611,936 44.313,937 44.956,939 141.253,940 114.94,943 58.747,944 53.497,945 74.175,946 39.149,947 211.88,948 145.871,949 124.01,951 5.807,952 211.88,953 25.34,954 53.714,955 51.201,956 133.818,957 211.88,958 145.871,959 124.01,961 0.591,962 0.312,963 0.181,964 0.098,965 23,966 10,967 0.096,968 5,969 1,970 1.095,971 3.954,972 245.851,973 0.095,974 21,975 132.606,980 1,981 19.434,982 7.858,983 4.765,984 1.738,985 129.085,986 9.148,987 13.223,988 3.134,991 2.372,993 51.201,994 481.76,995 41,998 -3.223,1000 23.021,1007 49.734,1008 55.594,1009 0.328,1010 0.687,1011 0.856,1012 0.932,1013 0.946,1014 0.946,1015 4.997,1016 1.547,1017 5.894,1018 4.994,1019 4.511,1020 5.078,1021 0.278,1022 6.725,1023 4.393,1024 6.24,1025 1.434,1026 7.462,1027 4.229,1028 4.29,1029 5.19,1031 7.789,1032 4.081,1033 7.59,1034 1.189,1035 9.131,1036 3.443,1037 6.172,1038 7.403,1039 0.05,1040 10.78,1041 5.953,1042 8.975,1043 1.027,1044 10.858,1045 2.627,1046 6.698,1047 8.303,1049 12.61,1050 6.404,1051 10.393,1052 0.488,1053 12.622,1054 2.556,1055 8.12,1056 10.071,1057 0.008,1058 15.18,1059 7.808,1060 11.835,1062 14.412,1063 1.178,1064 8.98,1065 11.307,1067 17.32,1068 8.607,1069 13.294,1070 -0.102,1071 16.22,1073 10.224,1074 12.911,1075 0.001,1076 19.751,1077 9.824,1078 3.168,1079 -0.399,1080 18.042,1081 -0.3,1082 11.235,1083 14.292,1085 22.021,1086 10.785,1087 3.141,1088 10.928,1089 19.876,1090 -1.016,1091 12.409,1092 15.83,1094 24.408,1095 11.926,1096 2.777,1097 10.203,1098 21.719,1099 4.535,1100 13.49,1101 17.275,1103 26.734,1104 12.962,1105 2.572,1106 8.399,1107 23.569,1108 4.429,1109 14.639,1110 18.787,1112 29.107,1113 14.076,1114 2.192,1115 7.671,1116 25.426,1117 3.816,1118 15.751,1119 20.26,1121 31.458,1122 15.148,1123 2.034,1124 6.729,1125 27.288,1126 2.96,1127 16.893,1128 21.764,1130 33.829,1131 16.254,1132 1.744,1133 5.804,1134 29.154,1135 2.702,1136 18.02,1137 23.25,1139 36.192,1140 17.344,1141 9485,1142 16982,1143 20.572,1144 33.54,1145 47.116,1146 48.169,1147 47.245,1148 46.855,1149 46.628,1150 61.387,1151 0.8,1152 137.523,1153 43.693,1154 5.635,1155 6.311,1156 6.396,1157 5.216,1158 5.168,1159 7.535,1160 0.8,1161 18.11,1162 5.088,1163 13.971,1164 1.52,1165 1.554,1166 1.524,1167 1.511,1168 1.504,1169 1.98,1170 0.026,1171 4.436,1172 1.409,1173 4.127,1174 4.167,1175 4.715,1176 4.018,1177 7.718,1178 4.03,1179 4.004,1180 4.013,1181 4.112,1182 3.946,1183 6.999,1184 3.84,1185 3.834,1186 3.854,1187 3.917,1188 3.715,1189 5.139,1190 3.677,1191 3.724,1192 3.754,1193 3.711,1194 3.599,1195 5.006,1196 3.593,1197 3.368,1198 3.432,1199 3.352,1200 3.218,1201 4.514,1202 3.223,1203 3.203,1204 3.284,1205 3.231,1206 3.015,1207 4.363,1208 3.01,1209 3.113,1210 3.204,1211 2.992,1212 2.936,1213 4.272,1214 2.912,1215 2.875,1216 2.944,1217 2.904,1218 2.666,1219 3.965,1220 2.692,1221 0.15,1222 0.139,1223 0.217,1224 0.134,1225 0.102,1226 4.635,1227 0.146,1228 4.311,1229 0.013,1230 6.714,1231 0.353,1232 4.141,1233 0.1,1234 3.168,1235 4.535,1236 0.4,1237 10.928,1238 3.088,1239 1.917,1240 1.885,1241 2.081,1242 2.068,1243 1.481,1244 2.088,1245 1.885,1246 1.857,1247 1.967,1248 2.005,1249 1.082,1250 1.999,1251 1.73,1252 1.708,1253 1.79,1254 1.914,1255 0.988,1256 1.91,1257 1.658,1258 1.656,1259 1.623,1260 1.802,1261 0.844,1262 1.855,1263 1.385,1264 1.321,1265 1.541,1266 1.619,1267 0.791,1268 1.605,1269 1.186,1270 1.107,1271 1.48,1272 1.413,1273 0.757,1274 1.439,1275 1.133,1276 1.048,1277 1.447,1278 1.364,1279 0.496,1280 1.407,1281 0.998,1282 0.951,1283 1.161,1284 1.146,1285 0.274,1286 1.159,1287 4.143,1289 5.493,1290 2.398,1291 7.015,1292 4.727,1293 8.617,1294 6.843,1295 10.261,1297 1.187,1298 6.243,1303 3.348,1305 6.014,1308 -0.011,1314 31.787,1315 90.314,1316 189.141,1317 235.611,1318 256.366,1319 260.366,1320 260.366,1321 53.663,1322 7.716,1323 112.66,1324 121.04,1325 23,1326 12.585,1327 4.248,1328 3.459,1329 42.449,1330 111,1331 98,1332 0.185,1333 201.589,1334 336.64,1335 483.638,1336 24953,1337 2,1338 19.725,1339 0.704,1340 0.603,1341 20.475,1342 16.887,1343 13.371,1344 0.431,1345 0.366,1346 9.151,1347 11.839,1348 8.764,1349 7.232,1350 14.587,1351 11.351,1352 13.287,1353 0.295,1354 0.206,1355 15.078,1356 9.264,1357 9.53,1358 0.173,1359 0.105,1360 10.216,1361 5.765,1362 8.848,1363 0.115,1364 0.061,1365 9.692,1366 4.704,1367 6.803,1368 0.073,1369 0.034,1370 7.407,1371 3.194,1372 0.291,1373 96.184,1374 0.22,1375 26.696,1376 0.507,1377 152,1378 458.469,1379 214.221,1380 495.449,1381 662.12,1382 456,1383 176,1384 445.698,1385 238.303,1386 491.117,1387 709.82,1388 459,1389 6.5}
{0 CHEMBL1987982,1 1.643,2 10.846,3 5.802,4 33.666,5 95.972,6 8.335,7 0.552,8 3.891,9 3.997,10 3.542,11 3.452,12 5.037,13 3.458,14 4.455,15 4.594,16 4.012,17 3.859,18 6.154,19 3.844,20 4.611,21 4.807,22 3.855,23 3.995,24 5.609,25 3.919,26 4.645,27 4.843,28 3.853,29 3.975,30 5.762,31 3.896,32 4.688,33 4.919,34 3.796,35 3.896,36 5.849,37 3.823,38 4.571,39 4.807,40 3.636,41 3.766,42 5.646,43 3.687,44 4.383,45 4.607,46 3.486,47 3.624,48 5.376,49 3.539,50 4.305,51 4.525,52 3.461,53 3.486,54 5.484,55 3.424,56 0.121,57 0.823,58 7.033,59 4.107,60 20.216,61 4.493,62 1.128,63 1.614,64 15.865,65 6.991,66 151.248,67 7.991,68 0.343,69 1.361,70 19.384,71 9.032,72 36.113,73 11.488,74 0.351,75 1.495,76 20.175,77 9.538,78 28.594,79 11.885,80 0.561,81 1.585,82 24.188,83 9.704,84 66.912,85 11.844,86 0.541,87 1.318,88 21.706,89 8.295,90 69.275,91 10.265,92 0.331,93 1.026,94 16.868,95 6.825,96 31.963,97 8.89,98 0.3,99 1.058,100 15.64,101 6.459,102 23.814,103 8.043,104 12,105 42,106 0.284,107 0.636,108 0.781,109 0.852,110 0.863,111 0.863,112 3.304,113 0.866,114 -4.41,115 -4.34,116 -4.09,119 46.5,121 1,125 2,133 1,135 1,136 1,142 7,143 4,144 1,151 1,152 1,172 13,175 2,180 5,183 17,188 2,193 4,196 17,200 1,205 4,208 14,213 1,218 2,221 12,225 2,229 1,230 3,233 8,238 2,243 4,246 6,250 1,255 2,258 4,264 1,267 1,269 2,276 994,277 17.394,278 17.394,279 17.394,280 17.394,281 17.394,282 15.383,283 12.346,284 10.166,285 17.961,286 14.368,287 14.368,288 14.368,289 14.368,290 14.368,291 11.284,292 12.342,293 4.876,294 15.404,295 3.783,296 1.749,297 0.911,298 0.5,299 0.436,300 0.436,301 4.001,306 1,307 614,308 3.24,311 59.683,312 226.91,315 105.376,319 1.781,320 30.372,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 58.5,332 282,333 4.621,334 4.437,335 6.726,336 4.175,337 3.185,338 4.557,339 4.032,340 10.972,341 3.155,342 4.238,343 3.229,344 6.455,345 3.91,346 3.138,347 3.808,348 0.657,349 10.196,350 2.808,351 4.105,352 2.883,353 6.135,354 3.78,355 2.805,356 3.347,357 0.394,358 9.033,359 2.455,360 3.852,361 2.673,362 5.713,363 3.433,364 2.455,365 3.186,367 7.633,368 2.347,369 3.596,370 2.493,371 5.213,372 3.182,373 2.241,374 2.896,376 6.589,377 2.042,378 3.106,379 1.974,380 4.639,381 2.717,382 1.751,383 2.319,385 4.659,386 1.691,387 2.966,388 1.562,389 4.385,390 2.468,391 1.498,392 2.174,394 4.233,395 1.446,396 2.648,397 1.512,398 4.011,399 2.287,400 1.319,401 1.702,403 3.263,404 1.273,405 2.5,406 1.338,407 3.5,408 2,409 1.039,410 1.5,412 2.565,413 1,414 2.408,415 1.114,416 3.414,417 1.996,418 1,419 1.36,421 2.275,422 0.992,423 2.108,424 1,425 3.247,426 1.984,427 1,428 1.043,430 2.136,431 0.983,432 1.963,433 0.651,434 3.218,435 1.517,436 0.551,437 0.776,439 1.381,440 0.531,441 1.298,442 0.51,443 3.123,444 0.946,445 0.043,446 0.051,448 0.117,449 0.038,450 0.841,451 0.51,452 2.606,453 0.474,454 -0.48,455 -0.572,457 -1.229,458 -0.455,459 0.636,460 0.496,461 2.366,462 0.24,463 -0.732,464 -0.853,466 -1.903,467 -0.7,468 11.99,469 0.461,470 0.764,471 0.029,472 32.75,473 1.26,474 16,475 0.615,476 16.75,477 0.644,478 19.702,479 0.758,480 28.21,481 0.656,482 25.329,483 0.974,484 6.732,485 0.259,486 5.762,487 0.222,488 0.071,489 0.042,490 0.292,495 3,496 0.609,497 0.89,498 0.651,499 0.957,500 0.578,501 0.857,502 0.238,503 0.558,504 0.716,505 0.845,506 0.201,507 0.925,508 0.405,509 0.644,510 0.801,511 0.968,512 0.28,513 1.023,514 0.504,515 0.863,516 0.872,517 1.145,518 0.433,519 1.162,520 0.816,521 0.94,522 0.96,523 1.009,524 0.849,525 1.031,526 0.792,527 0.8,528 1.012,529 0.948,530 0.785,531 1.024,532 0.519,533 0.727,534 0.885,535 1.026,536 0.36,537 1.078,538 0.694,539 1.014,540 0.875,541 1.18,542 0.591,543 1.129,544 6,545 0.182,546 2.889,547 1.569,548 1.192,549 0.802,550 0.613,551 0.306,552 0.19,553 0.162,554 8318,555 27736,556 2.115,557 39.5,559 12,560 1,562 2,564 2,567 1.688,568 1.987,569 3.403,570 0.251,577 70.649,578 1.643,579 3.677,580 4.516,581 4.926,582 4.99,583 4.99,584 2.921,585 4.133,586 4.669,587 3.588,588 1166.11,589 8.079,590 14517.9,595 233.329,596 1.508,597 4.629,598 0.207,599 0.012,600 0.069,601 0.04,602 0.032,603 0.024,604 0.021,605 0.012,606 0.008,607 0.009,608 0.434,609 0.67,610 1,611 0.902,612 127.589,613 -0.046,614 -0.011,615 0.023,616 0.027,617 -0.095,618 0.051,619 0.641,620 0.433,621 0.103,622 0.133,623 0.605,624 -0.02,625 0.02,626 0.012,627 0.008,628 0.007,629 0.045,630 0.004,631 0.023,632 -0.127,633 -0.03,634 -0.157,635 0.055,636 -0.133,637 -0.05,638 -0.059,639 -0.003,640 -0.023,641 -0.033,642 -0.002,643 -0.062,644 0.028,645 -0.06,646 0.011,647 -0.066,648 -0.009,649 0.002,650 -0.082,651 0.005,652 -0.083,653 0.032,654 -0.051,655 0.009,656 -0.235,657 0.062,658 -0.215,659 0.065,660 -0.108,661 5.928,662 4.29,663 0.808,664 25.13,665 1.024,666 1.139,667 3.176,668 10.084,669 0.677,670 3.401,671 3.761,672 3.989,673 4.29,674 4.522,675 4.625,676 4.828,677 4.97,678 5.011,679 5.153,680 6.452,681 0.666,682 358.39,683 3.401,684 4.963,685 5.808,686 6.706,687 7.57,688 8.471,689 9.345,690 10.247,691 11.129,692 12.031,693 4.7,695 1,701 1,708 2,709 8,711 1,714 4,716 16,733 1,735 43,737 17,738 2,739 29,741 46,742 20,743 14,744 5,745 7,746 2,748 4,749 5,757 1,760 1,762 16,763 4,767 1,774 1,776 1,781 3,783 17,784 5,785 2,786 6,792 2,797 0.75,798 1,811 1,815 1,816 3,819 1,834 1,835 1,838 1,843 3,849 3,851 26,858 3,860 1,861 1,865 1,873 3,874 2.3,879 1,881 13.083,882 7.595,883 5.486,884 2.545,886 3.404,887 1.445,888 1.044,889 4.412,890 11.055,891 3.664,892 4.301,893 4.904,894 5.551,895 6.119,896 6.532,897 7.04,898 7.504,899 7.827,900 8.277,901 1,902 39,903 10.106,905 4.762,906 8.112,907 17.99,909 15.064,911 2.612,912 67.917,916 176.567,917 124.124,918 34.796,920 11,921 44.88,923 124.124,924 187.566,925 79.677,927 6.746,928 102.868,930 93.224,931 13.915,932 164.795,933 9.817,934 176.567,935 158.92,936 55.88,939 153.024,940 34.542,941 44.88,942 9.817,943 41.542,944 98.084,945 9.476,947 221.447,948 45.796,949 124.124,952 186.384,953 29.449,954 84.857,955 34.796,956 55.88,957 176.567,958 90.677,959 124.124,961 0.591,962 0.318,963 0.177,964 0.097,965 22,966 9,967 0.065,968 3,969 1,970 1.095,971 3.826,972 222.77,973 0.095,974 21,975 113.457,981 17.046,982 6.73,983 3.758,984 2.159,985 73.891,986 13.988,988 3.293,991 2.754,993 34.796,994 391.367,995 38,1002 2.196,1004 1.307,1007 44.021,1008 48.962,1009 0.303,1010 0.678,1011 0.832,1012 0.908,1013 0.92,1014 0.92,1015 4.92,1016 1.319,1017 5.832,1018 4.233,1019 4.443,1020 4.987,1021 3.211,1022 6.673,1023 4.331,1024 6.155,1025 1.039,1026 7.409,1027 3.263,1028 4.205,1029 4.879,1030 4.042,1031 7.789,1032 3.918,1033 7.486,1034 1,1035 9.092,1036 2.565,1037 6.116,1038 7.24,1039 5.635,1040 10.778,1041 5.887,1042 8.852,1043 1,1044 10.836,1045 2.275,1046 6.661,1047 7.949,1048 6.952,1049 12.656,1050 6.28,1051 10.249,1052 0.551,1053 12.618,1054 2.136,1055 8.091,1056 9.808,1057 8.373,1058 15.219,1059 7.745,1060 11.667,1061 0.043,1062 14.424,1063 1.381,1064 8.967,1065 10.913,1066 9.758,1067 17.381,1068 8.517,1069 13.101,1070 -0.48,1071 16.248,1072 0.117,1073 10.216,1074 12.561,1075 11.156,1076 19.81,1077 9.773,1078 3.185,1079 -0.732,1080 18.084,1081 -1.229,1082 11.239,1083 13.869,1084 12.548,1085 22.088,1086 10.73,1087 3.138,1088 10.972,1089 19.928,1090 -1.903,1091 12.417,1092 15.428,1093 13.943,1094 24.473,1095 11.901,1096 2.805,1097 10.196,1098 21.78,1099 4.557,1100 13.505,1101 16.839,1102 15.337,1103 26.801,1104 12.948,1105 2.455,1106 9.033,1107 23.638,1108 3.808,1109 14.659,1110 18.363,1111 16.732,1112 29.174,1113 14.088,1114 2.241,1115 7.633,1116 25.5,1117 3.347,1118 15.777,1119 19.825,1120 18.126,1121 31.525,1122 15.179,1123 1.751,1124 6.589,1125 27.365,1126 3.186,1127 16.922,1128 21.337,1129 19.52,1130 33.896,1131 16.311,1132 1.498,1133 4.659,1134 29.235,1135 2.896,1136 18.054,1137 22.824,1138 20.915,1139 36.26,1140 17.424,1141 7917,1142 14754,1143 19.474,1144 29.131,1145 44.774,1146 44.062,1147 44.247,1148 44.317,1149 44.045,1150 57.441,1151 10.167,1152 130.106,1153 41.523,1154 5.542,1155 6.437,1156 6.528,1157 5.223,1158 5.185,1159 7.557,1160 5.542,1161 18.106,1162 5.155,1163 11.747,1164 1.544,1165 1.519,1166 1.526,1167 1.528,1168 1.519,1169 1.981,1170 0.351,1171 4.486,1172 1.432,1173 4.157,1174 4.187,1175 4.119,1176 4.09,1177 8.516,1178 4.094,1179 3.893,1180 3.918,1181 3.843,1182 3.817,1183 7.999,1184 3.818,1185 3.765,1186 3.823,1187 3.663,1188 3.637,1189 7.999,1190 3.635,1191 3.447,1192 3.477,1193 3.463,1194 3.237,1195 4.988,1196 3.25,1197 3.3,1198 3.351,1199 3.234,1200 2.947,1201 4.782,1202 3.031,1203 3.042,1204 3.131,1205 2.902,1206 2.873,1207 4.474,1208 2.862,1209 2.997,1210 3.076,1211 2.794,1212 2.809,1213 4.275,1214 2.82,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.998,1220 2.715,1221 0.159,1222 0.153,1223 0.232,1224 0.144,1225 0.11,1226 4.621,1227 0.157,1228 4.437,1229 0.139,1230 6.726,1231 0.378,1232 4.175,1233 0.109,1234 3.185,1235 4.557,1236 4.032,1237 10.972,1238 3.155,1239 2.015,1240 1.998,1241 2.094,1242 2.078,1243 1.302,1244 2.084,1245 1.849,1246 1.816,1247 2,1248 1.983,1249 1.194,1250 1.992,1251 1.751,1252 1.715,1253 1.871,1254 1.885,1255 0.98,1256 1.878,1257 1.416,1258 1.35,1259 1.591,1260 1.641,1261 0.705,1262 1.631,1263 1.112,1264 1.093,1265 1.432,1266 1.521,1267 0.664,1268 1.382,1269 1.073,1270 0.989,1271 1.23,1272 1.298,1273 0.359,1274 1.35,1275 0.948,1276 0.902,1277 1.181,1278 1.211,1279 0.218,1280 1.212,1281 0.886,1282 0.821,1283 1.092,1284 1.062,1285 0.217,1286 1.107,1287 4.078,1289 5.425,1290 2.398,1291 6.956,1292 4.727,1293 8.565,1294 6.843,1295 10.216,1299 36.869,1303 2.794,1305 3.305,1306 3.93,1310 -4.678,1314 28.649,1315 70.649,1316 158.129,1317 194.168,1318 211.82,1319 214.574,1320 214.574,1321 40.453,1322 7.651,1323 37.05,1324 37.05,1325 23,1326 12.556,1327 4.17,1328 3.322,1329 38.165,1330 100,1331 92,1332 0.188,1333 170.804,1334 300.3,1335 408.522,1336 21896,1337 7,1338 18.148,1339 0.698,1340 0.533,1341 15.648,1342 13.86,1343 12.494,1344 0.431,1345 0.289,1346 8.224,1347 11.937,1348 8.124,1349 6.663,1350 11.348,1351 8.37,1352 12.182,1353 0.29,1354 0.148,1355 9.825,1356 6.218,1357 9.224,1358 0.174,1359 0.085,1360 8.9,1361 4.513,1362 8.111,1363 0.113,1364 0.046,1365 7.449,1366 3.282,1367 6.587,1368 0.072,1369 0.025,1370 6.093,1371 2.28,1372 0.296,1373 78.931,1374 0.227,1375 25.162,1376 0.512,1377 142,1378 566.735,1379 168.157,1380 468.587,1381 620.73,1382 436,1383 166,1384 443.371,1385 181.715,1386 431.129,1387 655.36,1388 405,1389 5.1}
{0 CHEMBL1988075,1 1.676,2 14.529,3 4.401,4 19.368,5 133.556,6 8.696,7 0.737,8 4.108,9 4.216,10 3.839,11 3.755,12 5.33,13 3.727,14 4.568,15 4.7,16 4.217,17 4.144,18 5.811,19 4.096,20 4.8,21 4.966,22 4.277,23 4.258,24 5.984,25 4.195,26 4.859,27 5.042,28 4.324,29 4.264,30 6.052,31 4.175,32 4.867,33 5.067,34 4.2,35 4.203,36 6.034,37 4.105,38 4.708,39 4.891,40 4.082,41 4.082,42 6.005,43 4.007,44 4.65,45 4.848,46 3.937,47 4.031,48 5.762,49 3.941,50 4.684,51 4.907,52 3.858,53 3.999,54 5.76,55 3.882,56 0.073,57 0.861,58 8.439,59 4.482,60 11.206,61 5.001,62 0.231,63 1.361,64 16.001,65 7.868,66 23.756,67 9.122,68 0.311,69 1.707,70 21.742,71 9.62,72 45.391,73 10.646,74 0.309,75 1.79,76 27.096,77 11.24,78 38.742,79 13.202,80 0.453,81 1.752,82 34.295,83 12.229,84 64.302,85 13.182,86 0.469,87 1.496,88 24.132,89 9.398,90 75.732,91 10.68,92 0.265,93 1.396,94 19.897,95 8.504,96 40.385,97 10.491,98 0.266,99 1.418,100 26.51,101 10.376,102 34.399,103 12.711,104 17,105 54,106 0.271,107 0.6,108 0.752,109 0.851,110 0.88,111 0.886,112 3.56,113 0.899,114 -5.08,115 -4.98,116 -4.66,119 48.1,120 1,142 10,143 5,144 3,145 2,146 1,147 1,151 1,152 1,159 1,163 1,164 1,165 1,172 11,175 5,177 1,178 3,179 1,180 5,183 17,185 1,188 4,193 4,196 13,198 1,200 7,205 9,208 9,210 3,212 1,213 8,218 7,221 9,223 3,225 5,230 6,233 10,235 3,238 3,240 1,241 1,243 3,246 13,248 1,250 3,253 1,254 1,255 2,257 1,258 11,264 3,269 3,272 8,274 1,276 2152,277 23.032,278 23.032,279 23.032,280 23.032,281 23.032,282 19.533,283 18.938,284 13.453,285 23.5,286 18.769,287 18.769,288 18.769,289 18.769,290 18.769,291 13.565,292 24.25,293 6.42,294 19.535,295 4.079,296 2.039,297 1.102,298 0.486,299 0.31,300 0.273,301 4.267,306 1,307 1087,308 3.24,311 78.333,312 433.897,315 147.558,319 2.353,320 32.257,323 1,324 0.83,325 1,326 0.6,328 1,329 1,330 0.78,331 73,332 494,333 4.746,334 3.563,335 7.012,336 4.28,337 3.313,338 4.724,339 1.656,340 11.976,341 3.205,342 4.212,343 3.325,344 6.338,345 3.834,346 2.844,347 3.836,348 0.247,349 9.595,350 2.815,351 4.083,352 2.947,353 5.76,354 3.693,355 2.729,356 3.665,358 7.868,359 2.623,360 3.991,361 2.85,362 5.614,363 3.555,364 2.584,365 3.598,367 7.64,368 2.507,369 3.762,370 2.628,371 5.389,372 3.365,373 2.398,374 3.187,376 7.049,377 2.31,378 3.614,379 2.454,380 5.169,381 3.208,382 2.242,383 2.964,385 6.208,386 2.164,387 3.465,388 2.316,389 4.923,390 3.044,391 2.091,392 2.776,394 5.71,395 1.988,396 3.304,397 2.266,398 4.898,399 2.799,400 1.892,401 2.609,403 5.417,404 1.703,405 3.149,406 1.947,407 4.558,408 2.697,409 1.724,410 2.349,412 4.689,413 1.648,414 2.941,415 1.526,416 4.439,417 2.449,418 1.469,419 2.134,421 4.189,422 1.435,423 2.658,424 1.275,425 4.033,426 2.172,427 1.182,428 1.73,430 2.956,431 1.166,432 2.557,433 1.101,434 3.603,435 2.019,436 1.071,437 1.583,439 2.586,440 1.006,441 2.5,442 1,443 3.479,444 2,445 1,446 1.5,448 2.275,449 1,450 2.5,451 1,452 3.414,453 1.959,454 1,455 1.5,457 2.275,458 0.956,459 2.246,460 0.848,461 3.414,462 1.631,463 0.798,464 1.136,466 2.081,467 0.647,468 16.452,469 0.484,470 0.87,471 0.026,472 50.75,473 1.493,474 29,475 0.853,476 21.75,477 0.64,478 25.306,479 0.744,480 33.948,481 0.629,482 39.679,483 1.167,484 10.026,485 0.295,486 6.449,487 0.19,488 0.092,490 0.365,494 1,496 0.716,497 0.927,498 0.695,499 0.771,500 0.638,501 0.746,502 0.538,503 0.931,504 0.804,505 0.918,506 0.514,507 0.874,508 1.127,509 0.997,510 0.967,511 0.895,512 1.028,513 0.963,514 0.757,515 1.067,516 0.989,517 1.132,518 0.737,519 1.06,520 1.152,521 0.94,522 1.381,523 1.156,524 1.14,525 0.991,526 0.821,527 0.922,528 1.105,529 1.041,530 0.796,531 1.015,532 0.766,533 0.922,534 0.914,535 0.976,536 0.763,537 1.097,538 0.618,539 0.919,540 1.115,541 1.15,542 0.568,543 1.09,544 7,545 0.173,546 3.778,547 2.403,548 1.961,549 1.271,550 0.881,551 0.476,552 0.33,553 0.29,554 18823,555 55833,556 2.127,557 37,559 10,560 1,561 2,562 4,563 3,567 1.756,568 2,569 3.794,570 1.516,577 90.504,578 1.676,579 3.716,580 4.653,581 5.269,582 5.445,583 5.482,584 3.307,585 4.653,586 5.054,587 3.986,588 2235.98,589 8.843,590 35071.2,595 310.764,596 1.379,597 5.023,598 0.184,599 0.006,600 0.07,601 0.044,602 0.037,603 0.026,604 0.02,605 0.012,606 0.009,607 0.009,608 0.418,610 0.75,611 0.513,612 184.61,613 -0.09,614 0.035,615 0.03,616 0.099,617 -0.105,618 0.08,619 0.152,620 0.026,621 0.039,622 0.019,623 0.094,624 0.011,625 -0.19,626 0.013,627 -0.095,628 0.029,629 -0.144,630 -0.062,631 0.051,632 -0.134,633 0.062,634 -0.098,635 0.041,636 -0.08,637 -0.138,638 0.004,639 -0.125,640 -0.02,641 -0.095,642 0.019,643 0.097,644 -0.005,645 -0.103,646 -0.054,647 0.149,648 -0.063,649 -0.06,650 -0.031,651 -0.085,652 -0.079,653 -0.094,654 -0.131,655 0.061,656 -0.058,657 -0.053,658 -0.109,659 0.062,660 -0.032,661 2.121,662 5.313,663 0.794,664 43.052,665 1.009,666 1.116,667 3.852,668 14.836,669 0.725,670 3.664,671 4.007,672 4.29,673 4.595,674 4.836,675 4.942,676 5.088,677 5.273,678 5.375,679 5.481,680 8.341,681 0.696,682 469.58,683 3.664,684 5.22,685 6.08,686 6.971,687 7.848,688 8.746,689 9.633,690 10.535,691 11.43,692 12.336,693 9.3,697 1,700 2,703 2,708 2,709 13,710 2,713 1,714 9,716 28,727 1,734 1,735 54,737 29,738 2,739 38,741 58,742 26,743 24,744 4,745 8,748 5,749 6,753 1,754 1,762 25,763 1,767 1,772 1,776 1,781 1,783 20,784 7,785 4,786 8,787 1,792 5,797 0.8,798 1,809 2,815 1,816 4,819 1,843 4,845 1,847 1,849 1,851 34,852 1,860 2,869 1,873 1,874 1.9,877 1,881 17,882 10.043,883 7.333,884 3.005,886 5.258,887 1.621,888 1.052,889 6.056,890 13.728,891 3.989,892 4.652,893 5.28,894 5.939,895 6.518,896 6.88,897 7.365,898 7.887,899 8.273,900 8.697,901 0.9,902 55,903 12.53,905 5.429,906 7.848,907 23.584,909 19.487,911 2.348,912 79.833,916 188.338,917 200.665,918 102.49,920 25.145,921 14.96,922 31.278,923 169.388,924 213.483,925 117.45,926 8.825,927 36.022,928 135.309,929 82.258,930 50.801,931 34.081,932 184.302,934 188.338,935 271.877,936 40.105,937 31.278,939 203.298,940 25.145,943 65.698,944 172.608,945 33.571,946 31.278,947 203.298,948 127.635,949 200.665,952 188.338,953 71.334,954 129.332,955 36.022,956 106.573,957 188.338,958 142.595,959 200.665,961 0.587,962 0.339,963 0.188,964 0.104,965 27,966 12,967 0.069,968 4,969 1,970 1.074,971 4.55,972 322.633,973 0.074,974 27,975 166.974,977 1,981 22.146,982 9.298,983 4.701,984 1.942,985 142.595,986 22.867,987 8.833,990 1.608,991 5.885,993 68.919,994 531.598,995 53,1000 12.247,1004 -0.455,1007 54.494,1008 60.282,1009 0.291,1010 0.646,1011 0.809,1012 0.915,1013 0.946,1014 0.953,1015 5.22,1016 1.892,1017 6.071,1018 5.71,1019 4.691,1020 5.34,1021 1.758,1022 6.893,1023 4.615,1024 6.453,1025 1.724,1026 7.633,1027 5.417,1028 4.29,1029 5.165,1030 1.195,1031 7.813,1032 4.194,1033 7.771,1034 1.469,1035 9.293,1036 4.689,1037 6.293,1038 7.605,1039 2.415,1040 10.941,1041 6.159,1042 9.125,1043 1.182,1044 11.014,1045 4.189,1046 6.698,1047 8.262,1048 2.324,1049 12.746,1050 6.541,1051 10.51,1052 1.071,1053 12.775,1054 2.956,1055 8.179,1056 10.17,1057 3.244,1058 15.415,1059 7.991,1060 11.918,1061 1,1062 14.568,1063 2.586,1064 8.971,1065 11.253,1066 3.407,1067 17.608,1068 8.756,1069 13.347,1070 1,1071 16.385,1072 2.275,1073 10.245,1074 12.936,1075 4.156,1076 20.135,1077 10.002,1078 3.313,1079 0.798,1080 18.222,1081 2.275,1082 11.231,1083 14.246,1084 4.464,1085 22.493,1086 10.957,1087 2.844,1088 11.976,1089 20.075,1090 2.081,1091 12.427,1092 15.835,1093 5.111,1094 24.978,1095 12.124,1096 2.729,1097 9.595,1098 21.943,1099 4.724,1100 13.509,1101 17.264,1102 5.504,1103 27.405,1104 13.174,1105 2.584,1106 7.868,1107 23.823,1108 3.836,1109 14.682,1110 18.818,1111 6.091,1112 29.88,1113 14.316,1114 2.398,1115 7.64,1116 25.712,1117 3.665,1118 15.814,1119 20.306,1120 6.531,1121 32.336,1122 15.413,1123 2.242,1124 7.049,1125 27.61,1126 3.598,1127 16.984,1128 21.85,1129 7.083,1130 34.812,1131 16.551,1132 2.091,1133 6.208,1134 29.515,1135 3.187,1136 18.141,1137 23.369,1138 7.551,1139 37.281,1140 17.673,1141 17515,1142 30337,1143 25.66,1144 39.159,1145 57.645,1146 58.188,1147 59.061,1148 56.944,1149 56.998,1150 78.979,1151 3.806,1152 165.835,1153 54.651,1154 5.612,1155 5.563,1156 6.569,1157 5.389,1158 5.313,1159 7.724,1160 2.912,1161 19.527,1162 5.205,1163 16.088,1164 1.517,1165 1.531,1166 1.554,1167 1.499,1168 1.5,1169 2.078,1170 0.1,1171 4.364,1172 1.438,1173 4.134,1174 4.146,1175 4.344,1176 4.137,1177 8.201,1178 4.099,1179 3.925,1180 3.959,1181 3.884,1182 3.834,1183 7.431,1184 3.837,1185 3.883,1186 3.916,1187 3.832,1188 3.811,1189 5.189,1190 3.812,1191 3.786,1192 3.822,1193 3.784,1194 3.712,1195 4.884,1196 3.7,1197 3.433,1198 3.477,1199 3.443,1200 3.24,1201 4.771,1202 3.245,1203 3.278,1204 3.32,1205 3.376,1206 3.106,1207 4.662,1208 3.129,1209 3.192,1210 3.274,1211 3.101,1212 3.032,1213 4.566,1214 3.014,1215 2.945,1216 3.04,1217 2.886,1218 2.805,1219 4.245,1220 2.776,1221 0.125,1222 0.094,1223 0.185,1224 0.113,1225 0.087,1226 4.746,1227 0.124,1228 3.563,1229 0.044,1230 7.012,1231 0.315,1232 4.28,1233 0.084,1234 3.313,1235 4.724,1236 1.656,1237 11.976,1238 3.205,1239 1.985,1240 1.966,1241 2.049,1242 2.067,1243 1.203,1244 2.064,1245 1.904,1246 1.879,1247 1.995,1248 2.012,1249 1.1,1250 2.009,1251 1.872,1252 1.845,1253 1.976,1254 1.967,1255 1.045,1256 1.973,1257 1.71,1258 1.676,1259 1.802,1260 1.847,1261 0.911,1262 1.841,1263 1.406,1264 1.392,1265 1.529,1266 1.593,1267 0.666,1268 1.562,1269 1.225,1270 1.18,1271 1.417,1272 1.44,1273 0.536,1274 1.465,1275 1.159,1276 1.1,1277 1.303,1278 1.312,1279 0.308,1280 1.362,1281 0.895,1282 0.839,1283 1.183,1284 1.206,1285 0.218,1286 1.214,1287 4.344,1289 5.68,1290 2.398,1291 7.207,1292 4.727,1293 8.823,1294 6.88,1295 10.488,1297 1.952,1299 13.313,1301 6.278,1305 5.364,1314 37.607,1315 90.504,1316 200.684,1317 251.28,1318 284.499,1319 294.009,1320 296.009,1321 57.34,1322 8.47,1323 92.93,1324 121.17,1325 29,1326 12.856,1327 4.907,1328 4,1329 50.311,1330 170,1331 166,1332 0.143,1333 232.518,1334 393.47,1335 559.103,1336 65949,1337 1.9,1338 23.656,1339 0.696,1340 0.558,1341 23.139,1342 18.988,1343 16.474,1344 0.434,1345 0.3,1346 10.467,1347 15.531,1348 10.129,1349 8.408,1350 16.535,1351 11.384,1352 15.216,1353 0.282,1354 0.16,1355 15.107,1356 8.645,1357 12.664,1358 0.176,1359 0.089,1360 13.048,1361 6.396,1362 11.002,1363 0.112,1364 0.049,1365 11.62,1366 4.825,1367 8.934,1368 0.071,1369 0.026,1370 9.677,1371 3.301,1372 0.23,1373 106.844,1374 0.197,1375 31.908,1376 0.376,1377 184,1378 567.975,1379 221.125,1380 559.233,1381 765.05,1382 522,1383 218,1384 552.651,1385 252.445,1386 575.045,1387 838.73,1388 541,1389 6.5}
{0 CHEMBL1988076,1 1.569,2 13.595,3 6.842,4 46.812,5 146.23,6 8.519,7 0.786,8 4.198,9 4.305,10 3.926,11 3.849,12 5.366,13 3.82,14 4.669,15 4.804,16 4.304,17 4.222,18 5.829,19 4.179,20 4.874,21 5.052,22 4.296,23 4.301,24 5.979,25 4.242,26 4.92,27 5.118,28 4.279,29 4.264,30 6.047,31 4.212,32 4.936,33 5.132,34 4.384,35 4.323,36 6.074,37 4.268,38 4.93,39 5.111,40 4.371,41 4.374,42 6.051,43 4.298,44 4.931,45 5.117,46 4.304,47 4.346,48 5.998,49 4.25,50 4.904,51 5.115,52 4.164,53 4.262,54 5.917,55 4.161,56 0.024,57 0.87,58 9.451,59 4.753,60 7.472,61 5.557,62 0.217,63 1.441,64 18.394,65 7.956,66 19.304,67 9.621,68 0.174,69 1.698,70 24.311,71 10.218,72 29.223,73 12.388,74 0.27,75 1.794,76 26.288,77 10.195,78 42.3,79 12.257,80 0.364,81 1.843,82 28.466,83 10.758,84 46.755,85 12.711,86 0.347,87 1.874,88 29.063,89 10.999,90 41.867,91 12.316,92 0.268,93 1.809,94 29.208,95 11.572,96 36.519,97 14.22,98 0.249,99 1.728,100 30.09,101 11.766,102 31.234,103 14.486,104 5,105 59,106 0.247,107 0.547,108 0.707,109 0.844,110 0.893,111 0.893,112 3.642,113 0.901,114 -5.49,115 -5.37,116 -5.01,119 49.2,120 1,142 14,143 3,144 2,145 1,146 2,150 1,151 2,152 1,158 1,162 1,172 15,174 2,175 6,178 3,180 5,183 15,187 1,188 6,193 7,196 9,199 1,200 13,205 5,208 5,212 1,213 14,216 2,218 1,221 11,224 1,225 6,228 2,230 1,233 13,237 1,238 7,241 1,243 5,246 13,249 1,250 9,255 1,258 7,263 1,264 12,267 1,268 1,269 1,272 12,276 2857,277 25.654,278 25.654,279 25.654,280 25.654,281 25.654,282 21.658,283 17.6,284 15.279,285 26.234,286 20.808,287 20.808,288 20.808,289 20.808,290 20.808,291 14.877,292 27.402,293 7.308,294 21.786,295 4.314,296 2.412,297 1.395,298 0.526,299 0.216,300 0.216,301 4.361,307 1121,308 3.24,311 169.698,312 443.538,314 138.254,319 2.21,320 24.646,323 0.5,324 0.67,325 0.83,326 0.3,328 0.83,329 1,330 0.59,331 78,332 503,333 4.738,334 3.572,335 7.021,336 4.268,337 3.327,338 4.68,339 1.058,340 12.063,341 3.145,342 4.21,343 3.328,344 6.073,345 3.842,346 2.857,347 3.824,348 0.4,349 8.812,350 2.828,351 4.195,352 3.021,353 6.066,354 3.815,355 2.84,356 3.777,358 8.773,359 2.764,360 4.055,361 2.717,362 6,363 3.625,364 2.644,365 3.651,367 8.48,368 2.587,369 4,370 2.619,371 5.783,372 3.489,373 2.569,374 3.617,376 7.934,377 2.347,378 3.633,379 2.325,380 5.327,381 3.196,382 2.251,383 3.05,385 6.791,386 2.121,387 3.425,388 2.188,389 5.201,390 3.014,391 2.076,392 2.733,394 6.345,395 1.93,396 3.218,397 2.13,398 4.563,399 2.739,400 1.732,401 2.482,403 4.308,404 1.737,405 2.953,406 1.626,407 4.432,408 2.465,409 1.514,410 2.151,412 4.19,413 1.438,414 2.899,415 1.488,416 4.155,417 2.414,418 1.423,419 2.082,421 3.726,422 1.414,423 2.864,424 1.455,425 4.119,426 2.374,427 1.414,428 2.025,430 3.586,431 1.352,432 2.786,433 1.373,434 3.6,435 2.278,436 1.338,437 1.909,439 2.966,440 1.244,441 2.664,442 1.323,443 3.528,444 2.156,445 1.186,446 1.74,448 2.654,449 1.145,450 2.611,451 1.191,452 3.488,453 2.03,454 1.121,455 1.665,457 2.552,458 1.011,459 2.534,460 1.123,461 3.428,462 2.017,463 1,464 1.5,466 2.384,467 1.01,468 18.067,469 0.488,470 0.777,471 0.021,472 57,473 1.541,474 32.5,475 0.878,476 24.5,477 0.662,478 27.685,479 0.748,480 35.933,481 0.609,482 45.191,483 1.221,484 11.212,485 0.303,486 6.941,487 0.188,488 0.046,490 0.327,496 0.817,497 1.147,498 0.69,499 0.843,500 0.647,501 0.786,502 0.603,503 1.111,504 0.829,505 1.021,506 0.589,507 0.925,508 1.05,509 1.165,510 0.882,511 0.987,512 0.938,513 0.982,514 1.384,515 1.1,516 0.847,517 0.864,518 1.238,519 0.915,520 1.352,521 0.935,522 0.831,523 0.77,524 1.373,525 0.781,526 1.278,527 0.94,528 1.188,529 0.961,530 1.12,531 0.935,532 0.798,533 1.165,534 1.074,535 1.178,536 0.748,537 1.12,538 0.896,539 1.062,540 1.062,541 1.062,542 0.791,543 1.028,544 6,545 0.216,546 3.556,547 2.507,548 2.033,549 0.858,550 0.718,551 0.52,552 0.474,553 0.372,554 22312,555 58547,556 2.197,557 37.3,558 3,559 14,560 2,561 1,562 2,567 1.784,568 2.114,569 3.699,570 0.135,577 92.577,578 1.569,579 3.471,580 4.487,581 5.357,582 5.666,583 5.666,584 3.193,585 4.993,586 5.177,587 3.88,588 2584.16,589 9.132,590 41595.4,595 347.076,596 1.181,597 5.165,598 0.143,599 0.005,600 0.06,601 0.042,602 0.036,603 0.014,604 0.012,605 0.009,606 0.009,607 0.007,608 0.338,609 0.17,610 0.63,611 0.368,612 202.902,613 -0.056,614 -0.111,615 0.058,616 0.015,617 -0.092,618 0.027,619 0.274,620 -0.063,621 0.034,622 -0.112,623 0.077,624 -0.071,625 -0.051,626 -0.154,627 -0.026,628 -0.089,629 -0.016,630 -0.068,631 -0.137,632 -0.062,633 0.004,634 0.004,635 -0.032,636 -0.005,637 -0.062,638 0.109,639 0.118,640 0.16,641 -0.049,642 0.142,643 -0.162,644 0.145,645 -0.14,646 0.029,647 -0.152,648 -0.028,649 0.066,650 -0.17,651 -0.065,652 -0.176,653 0.011,654 -0.154,655 0.006,656 -0.075,657 -0.046,658 -0.06,659 -0.008,660 -0.029,661 1.827,662 5.708,663 0.865,664 44.906,665 1.001,666 1.109,667 4.264,668 18.178,669 0.733,670 3.761,671 4.094,672 4.407,673 4.718,674 4.956,675 5.069,676 5.273,677 5.425,678 5.591,679 5.707,680 7.887,681 0.699,682 502.64,683 3.761,684 5.313,685 6.18,686 7.069,687 7.954,688 8.852,689 9.746,690 10.65,691 11.551,692 12.459,693 10.2,700 1,701 2,703 3,708 1,709 17,710 3,713 1,714 9,716 33,723 1,728 1,735 59,737 34,738 3,739 42,741 64,742 29,743 27,744 5,745 13,746 1,748 6,749 7,754 1,762 28,763 1,767 1,772 1,776 1,783 22,784 6,785 2,786 8,787 1,789 1,792 6,797 0.833,798 1,810 1,815 2,816 4,818 1,843 5,845 1,847 1,851 37,860 2,868 1,874 1.7,877 1,881 17.5,882 11.05,883 8.028,884 3.407,886 6.25,887 1.704,888 1.059,889 6.314,890 15.122,891 4.103,892 4.754,893 5.397,894 6.044,895 6.596,896 6.954,897 7.478,898 7.909,899 8.385,900 8.793,901 1,902 59,903 13.62,905 5.859,906 7.64,907 26.069,909 21.564,911 2.14,912 79.167,916 235.422,917 228.458,918 87.665,920 25.145,922 31.278,923 197.181,924 260.567,925 87.665,926 8.825,927 18.011,928 149.364,929 91.977,930 48.928,931 28.198,932 231.386,934 235.422,935 284.845,936 25.145,937 31.278,939 235.422,940 25.145,943 62.593,944 171.896,945 50.357,946 31.278,947 235.422,948 112.809,949 228.458,952 235.422,953 61.222,954 168.523,955 36.022,956 75.502,957 235.422,958 112.809,959 228.458,961 0.579,962 0.344,963 0.194,964 0.105,965 30,966 12,967 0.094,968 6,969 1,970 1.063,971 4.767,972 377.346,973 0.063,974 32,975 184.75,977 1,981 23.231,982 10.056,983 4.794,984 0.857,985 111.523,986 32.511,987 14.178,990 1.556,991 7.123,993 36.022,994 576.69,995 59.5,1000 12.708,1004 -0.161,1007 59.083,1008 65.441,1009 0.267,1010 0.59,1011 0.763,1012 0.911,1013 0.963,1014 0.963,1015 5.324,1016 1.732,1017 6.155,1018 6.345,1019 4.779,1020 5.442,1021 1.27,1022 6.978,1023 4.694,1024 6.544,1025 1.514,1026 7.713,1027 4.308,1028 4.29,1029 5.165,1031 7.883,1032 4.169,1033 7.854,1034 1.423,1035 9.374,1036 4.19,1037 6.375,1038 7.69,1039 1.27,1040 11.034,1041 6.209,1042 9.203,1043 1.414,1044 11.098,1045 3.726,1046 6.758,1047 8.297,1049 12.835,1050 6.547,1051 10.586,1052 1.338,1053 12.865,1054 3.586,1055 8.273,1056 10.238,1057 1.34,1058 15.498,1059 8.026,1060 11.995,1061 1.186,1062 14.661,1063 2.966,1064 9.064,1065 11.285,1067 17.684,1068 8.765,1069 13.424,1070 1.121,1071 16.48,1072 2.654,1073 10.352,1074 12.976,1075 1.423,1076 20.203,1077 10.016,1078 3.327,1079 1,1080 18.316,1081 2.552,1082 11.339,1083 14.254,1085 22.559,1086 10.947,1087 2.857,1088 12.063,1089 20.167,1090 2.384,1091 12.54,1092 15.838,1093 1.51,1094 25.042,1095 12.105,1096 2.84,1097 8.812,1098 22.03,1099 4.68,1100 13.623,1101 17.237,1103 27.473,1104 13.129,1105 2.644,1106 8.773,1107 23.903,1108 3.824,1109 14.796,1110 18.779,1111 1.599,1112 29.952,1113 14.253,1114 2.569,1115 8.48,1116 25.786,1117 3.777,1118 15.926,1119 20.243,1121 32.416,1122 15.322,1123 2.251,1124 7.934,1125 27.676,1126 3.651,1127 17.096,1128 21.773,1129 1.69,1130 34.898,1131 16.437,1132 2.076,1133 6.791,1134 29.573,1135 3.617,1136 18.252,1137 23.271,1139 37.375,1140 17.531,1141 20420,1142 33303,1143 29.126,1144 43.228,1145 63.815,1146 64.414,1147 64.39,1148 63.08,1149 63.194,1150 88.501,1151 2.917,1152 181.972,1153 60.492,1154 5.565,1155 5.572,1156 6.823,1157 5.412,1158 5.327,1159 7.68,1160 2.117,1161 19.438,1162 5.145,1163 11.799,1164 1.519,1165 1.534,1166 1.533,1167 1.502,1168 1.505,1169 2.107,1170 0.069,1171 4.333,1172 1.44,1173 4.159,1174 4.194,1175 4.359,1176 4.067,1177 7.429,1178 4.056,1179 3.941,1180 3.975,1181 3.925,1182 3.869,1183 5.101,1184 3.862,1185 3.93,1186 3.962,1187 3.875,1188 3.852,1189 4.924,1190 3.851,1191 3.83,1192 3.861,1193 3.803,1194 3.78,1195 4.748,1196 3.764,1197 3.736,1198 3.784,1199 3.73,1200 3.609,1201 4.719,1202 3.61,1203 3.326,1204 3.36,1205 3.34,1206 3.154,1207 4.684,1208 3.161,1209 3.174,1210 3.258,1211 3.208,1212 3.049,1213 4.123,1214 3.049,1215 3.157,1216 3.2,1217 2.983,1218 3.025,1219 3.986,1220 3.001,1221 0.113,1222 0.085,1223 0.167,1224 0.102,1225 0.079,1226 4.738,1227 0.111,1228 3.572,1229 0.025,1230 7.021,1231 0.287,1232 4.268,1233 0.075,1234 3.327,1235 4.68,1236 1.058,1237 12.063,1238 3.145,1239 1.946,1240 1.92,1241 2.042,1242 2.056,1243 1.143,1244 2.049,1245 1.919,1246 1.889,1247 2.034,1248 2.023,1249 1.132,1250 2.026,1251 1.882,1252 1.857,1253 1.992,1254 1.964,1255 1.068,1256 1.974,1257 1.766,1258 1.725,1259 1.849,1260 1.908,1261 0.919,1262 1.902,1263 1.473,1264 1.419,1265 1.59,1266 1.7,1267 0.638,1268 1.668,1269 1.367,1270 1.363,1271 1.552,1272 1.504,1273 0.603,1274 1.488,1275 1.225,1276 1.195,1277 1.362,1278 1.418,1279 0.532,1280 1.469,1281 1.208,1282 1.129,1283 1.274,1284 1.397,1285 0.395,1286 1.412,1287 4.443,1289 5.771,1290 3.045,1291 7.294,1292 5.416,1293 8.904,1294 7.535,1295 10.562,1297 2.041,1305 6.315,1314 41.245,1315 92.577,1316 204.776,1317 264.753,1318 316.056,1319 334.321,1320 334.321,1321 49.953,1322 8.872,1323 84.21,1324 112.45,1325 34,1326 12.978,1327 5.129,1328 4.209,1329 50.88,1330 169,1331 192,1332 0.141,1333 253.643,1334 421.76,1335 610.648,1336 110809,1338 25.192,1339 0.681,1340 0.56,1341 25.545,1342 20.737,1343 18.153,1344 0.432,1345 0.3,1346 11.7,1347 17.225,1348 11.343,1349 9.436,1350 18.607,1351 12.62,1352 16.286,1353 0.276,1354 0.158,1355 16.869,1356 9.344,1357 14.163,1358 0.175,1359 0.083,1360 14.787,1361 6.738,1362 12.32,1363 0.111,1364 0.044,1365 13.027,1366 4.867,1367 10.009,1368 0.071,1369 0.023,1370 10.623,1371 3.236,1372 0.221,1373 116.661,1374 0.185,1375 33.621,1376 0.386,1377 202,1378 547.842,1379 240.515,1380 567.242,1381 799.94,1382 534,1383 241,1384 599.515,1385 275.688,1386 626.03,1387 921.24,1388 591,1389 6.3}
{0 CHEMBL1988153,1 1.997,2 10.808,3 3.895,4 15.171,5 91.257,6 10.483,7 0.724,8 3.767,9 3.834,10 3.645,11 3.359,12 5.074,13 3.381,14 4.277,15 4.372,16 4.135,17 3.726,18 6.074,19 3.748,20 4.346,21 4.449,22 4.055,23 3.718,24 5.736,25 3.734,26 4.386,27 4.531,28 3.978,29 3.639,30 5.811,31 3.661,32 4.194,33 4.346,34 3.742,35 3.548,36 5.52,37 3.545,38 4.167,39 4.283,40 3.8,41 3.566,42 5.626,43 3.528,44 4.149,45 4.325,46 3.611,47 3.507,48 5.325,49 3.442,50 3.955,51 4.105,52 3.499,53 3.257,54 5.332,55 3.252,56 0.272,57 0.753,58 2.443,59 3.314,60 30.521,61 2.658,62 0.946,63 1.539,64 7.68,65 5.77,66 137.937,67 4.538,68 0.687,69 1.219,70 12.189,71 6.442,72 48.994,73 4.76,74 0.897,75 1.321,76 12.599,77 6.624,78 91.93,79 4.818,80 0.69,81 1.078,82 11.058,83 5.678,84 84.77,85 4.685,86 0.775,87 0.883,88 10.866,89 5.48,90 48.59,91 4.78,92 0.5,93 0.918,94 11.911,95 5.707,96 48.843,97 5.793,98 0.414,99 0.888,100 8.622,101 4.733,102 41.397,103 4.444,104 18,105 43,106 0.355,107 0.688,108 0.785,109 0.832,110 0.832,111 0.832,112 3.304,113 0.853,114 -5.3,115 -5.19,116 -4.85,119 47.2,120 1,132 1,142 5,143 2,144 2,145 2,152 2,161 2,166 1,172 5,174 2,175 5,183 6,187 1,188 10,196 2,200 7,208 2,213 3,221 6,224 4,225 2,233 6,237 2,238 1,246 3,250 6,258 1,264 6,276 1020,277 17.16,278 17.16,279 17.16,280 17.16,281 17.16,282 14.762,283 13.35,284 9.821,285 17.832,286 14.344,287 14.344,288 14.344,289 14.344,290 14.344,291 10.708,292 13.764,293 4.701,294 15.555,295 3.173,296 1.299,297 0.753,298 0.486,299 0.486,300 0.486,301 3.997,304 1,305 1,306 1,307 611,308 3.317,311 120.41,312 152.406,315 105.504,319 1.808,320 42.006,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 60,332 281,333 4.598,334 4.46,335 7.111,336 4.171,337 3.314,338 4.545,339 3.825,340 11.657,341 2.963,342 4.438,343 3.272,344 6.6,345 4.094,346 3.155,347 3.843,348 0.86,349 10.592,350 2.868,351 4.167,352 2.942,353 6.097,354 3.74,355 2.785,356 3.796,358 8.914,359 2.657,360 3.841,361 2.705,362 5.466,363 3.417,364 2.49,365 3.211,367 7.272,368 2.277,369 3.557,370 2.332,371 5.109,372 3.108,373 2.169,374 2.949,376 6.168,377 2.023,378 3.303,379 2.093,380 4.962,381 2.825,382 1.9,383 2.62,385 5.633,386 1.73,387 2.963,388 1.856,389 4.572,390 2.478,391 1.564,392 2.175,394 4.636,395 1.401,396 2.908,397 1.502,398 4.179,399 2.424,400 1.482,401 2.022,403 3.733,404 1.379,405 2.533,406 1.128,407 3.996,408 2,409 1.071,410 1.547,412 2.957,413 1,414 2.5,415 1,416 3.414,417 1.998,418 1,419 1.5,421 2.275,422 0.982,423 2.165,424 0.855,425 3.346,426 1.655,427 0.683,428 1.002,430 1.811,431 0.66,432 2.096,433 0.672,434 3.267,435 1.532,436 0.659,437 0.931,439 1.649,440 0.564,441 1.359,442 0.51,443 2.947,444 0.933,445 0.031,446 0.04,448 0.082,449 0.028,450 0.921,451 0.51,452 2.625,453 0.456,454 -0.473,455 -0.625,457 -1.162,458 -0.433,459 0.5,460 0.283,461 2.446,462 0.246,463 -0.736,464 -0.867,466 -1.773,467 -0.7,468 12.057,469 0.464,470 0.86,471 0.033,472 35.75,473 1.375,474 18.5,475 0.712,476 17.25,477 0.663,478 18.987,479 0.73,480 27.543,481 0.765,482 26.536,483 1.021,484 7.181,485 0.276,486 5.217,487 0.201,488 0.113,489 0.041,490 0.332,493 3,496 0.639,497 0.831,498 0.585,499 0.879,500 0.604,501 0.791,502 0.543,503 0.656,504 0.652,505 0.809,506 0.371,507 0.76,508 0.941,509 0.922,510 1.114,511 1.19,512 0.619,513 1.036,514 1.302,515 1.056,516 1.09,517 0.987,518 1.18,519 1.011,520 1.086,521 0.906,522 1.074,523 0.87,524 1.089,525 0.939,526 0.272,527 0.566,528 1.173,529 1.047,530 0.257,531 1.135,532 0.493,533 0.698,534 1.061,535 1.062,536 0.405,537 1.166,538 0.798,539 1.202,540 1.069,541 1.367,542 0.769,543 1.303,544 7,545 0.195,546 3.333,547 1.729,548 1.496,549 0.733,550 0.473,551 0.449,552 0.288,553 0.215,554 8305,555 34553,556 2.092,557 27.8,559 5,561 2,563 3,567 1.688,568 1.938,569 3.386,570 -0.646,572 1,577 71.901,578 1.997,579 3.871,580 4.417,581 4.684,582 4.684,583 4.684,584 2.907,585 4.258,586 4.67,587 3.581,588 1163.98,589 8.081,590 14521.1,592 1,593 1,594 1,595 186.117,596 1.619,597 4.616,598 0.241,599 0.011,600 0.078,601 0.044,602 0.043,603 0.024,604 0.015,605 0.017,606 0.013,607 0.01,608 0.495,609 0.33,610 1,611 0.777,612 127.61,613 -0.035,614 -0.023,615 0.034,616 -0.015,617 -0.102,618 -0.006,619 0.344,620 0.308,621 0.18,622 0.148,623 0.471,624 0.085,625 -0.142,626 -0.145,627 -0.115,628 -0.161,629 -0.018,630 -0.109,631 -0.289,632 -0.087,633 -0.114,634 -0.01,635 -0.2,636 -0.051,637 -0.219,638 0.027,639 -0.159,640 0.083,641 -0.207,642 0.047,643 0.395,644 0.131,645 -0.175,646 -0.041,647 0.184,648 -0.183,649 0.064,650 -0.045,651 -0.018,652 -0.081,653 0.053,654 -0.05,655 -0.032,656 -0.349,657 -0.071,658 -0.377,659 0.016,660 -0.255,661 5.634,662 4.651,663 0.769,664 24.592,665 1.055,666 1.137,667 4.068,668 16.552,669 0.728,670 3.401,671 3.784,672 4.025,673 4.29,674 4.489,675 4.635,676 4.762,677 4.942,678 5.011,679 5.05,680 6.442,681 0.735,682 377.37,683 3.401,684 4.977,685 5.832,686 6.732,687 7.606,688 8.507,689 9.389,690 10.29,691 11.176,692 12.078,693 8.3,703 3,708 2,709 7,710 3,712 1,713 1,714 6,716 21,733 1,735 36,737 21,738 1,739 29,741 39,742 17,743 15,744 2,745 4,748 4,749 5,754 2,759 1,762 15,763 2,780 1,781 3,783 10,784 8,786 9,787 1,792 3,797 0.75,798 2,809 1,815 2,816 2,819 1,843 3,845 1,847 1,849 3,851 26,861 1,865 1,869 1,873 3,874 5.6,879 2,881 13.417,882 7.112,883 5.417,884 2.019,886 3.939,887 1.517,888 1.026,889 4.159,890 11.556,891 3.701,892 4.382,893 5.002,894 5.635,895 6.142,896 6.552,897 7.008,898 7.516,899 7.84,900 8.174,901 1,902 39,903 9.958,905 4.736,906 8.285,907 17.348,909 14.216,911 2.785,912 72.417,916 117.711,917 141.728,918 50.112,920 20.507,921 44.88,922 31.278,923 110.45,924 138.218,925 94.992,926 8.825,928 47.381,929 83.694,930 99.728,931 2.104,932 125.447,933 7.76,934 117.711,935 160.562,936 65.388,937 31.278,939 117.711,940 65.388,943 44.72,944 65.731,945 50.112,946 31.278,947 162.591,948 70.619,949 141.728,952 125.471,953 59.667,954 74.301,956 115.499,957 117.711,958 115.499,959 141.728,961 0.602,962 0.335,963 0.172,964 0.091,965 23,966 10,967 0.077,968 3,969 1,970 1.1,971 3.804,972 223.523,973 0.1,974 20,975 113.457,977 1,981 16.984,982 6.366,983 3.454,984 1.594,985 115.499,986 9.509,987 11.903,989 5.423,990 1.407,991 1.59,994 374.938,995 39.5,1007 37.993,1008 40.929,1009 0.386,1010 0.749,1011 0.854,1012 0.906,1013 0.906,1014 0.906,1015 4.958,1016 1.482,1017 5.872,1018 4.636,1019 4.466,1020 5.069,1021 3.106,1022 6.732,1023 4.31,1024 6.214,1025 1.071,1026 7.47,1027 3.733,1028 4.29,1029 4.987,1030 3.903,1031 7.888,1032 3.964,1033 7.554,1034 1,1035 9.176,1036 2.957,1037 6.163,1038 7.352,1039 5.425,1040 10.896,1041 5.839,1042 8.931,1043 0.683,1044 10.945,1045 2.275,1046 6.77,1047 8.074,1048 6.69,1049 12.845,1050 6.266,1051 10.337,1052 0.659,1053 12.757,1054 1.811,1055 8.179,1056 9.926,1057 8.058,1058 15.439,1059 7.657,1060 11.763,1061 0.031,1062 14.598,1063 1.649,1064 9.11,1065 11.031,1066 9.388,1067 17.682,1068 8.422,1069 13.206,1070 -0.473,1071 16.46,1072 0.082,1073 10.359,1074 12.668,1075 10.734,1076 20.156,1077 9.621,1078 3.314,1079 -0.736,1080 18.339,1081 -1.162,1082 11.427,1083 13.968,1084 12.074,1085 22.511,1086 10.543,1087 3.155,1088 11.657,1089 20.23,1090 -1.773,1091 12.621,1092 15.515,1093 13.416,1094 24.951,1095 11.661,1096 2.785,1097 10.592,1098 22.131,1099 4.545,1100 13.749,1101 16.913,1102 14.758,1103 27.351,1104 12.657,1105 2.49,1106 8.914,1107 24.04,1108 3.843,1109 14.926,1110 18.425,1111 16.1,1112 29.783,1113 13.742,1114 2.169,1115 7.272,1116 25.956,1117 3.796,1118 16.079,1119 19.873,1120 17.441,1121 32.203,1122 14.773,1123 1.9,1124 6.168,1125 27.877,1126 3.211,1127 17.254,1128 21.374,1129 18.783,1130 34.636,1131 15.845,1132 1.564,1133 5.633,1134 29.802,1135 2.949,1136 18.42,1137 22.849,1138 20.124,1139 37.066,1140 16.895,1141 7913,1142 16315,1143 19.186,1144 26.193,1145 45.446,1146 44.368,1147 45.067,1148 44.813,1149 44.604,1150 60.365,1151 9.371,1152 134.757,1153 41.063,1154 5.372,1155 6.46,1156 6.637,1157 5.316,1158 5.314,1159 7.545,1160 5.335,1161 18.597,1162 4.963,1163 13.492,1164 1.567,1165 1.53,1166 1.554,1167 1.545,1168 1.538,1169 2.082,1170 0.323,1171 4.647,1172 1.416,1173 4.094,1174 4.099,1175 4.341,1176 4.086,1177 8.513,1178 4.04,1179 3.913,1180 3.934,1181 3.891,1182 3.837,1183 7.999,1184 3.837,1185 3.779,1186 3.811,1187 3.76,1188 3.51,1189 7.999,1190 3.566,1191 3.348,1192 3.376,1193 3.457,1194 3.185,1195 5.265,1196 3.168,1197 3.251,1198 3.304,1199 3.303,1200 3.007,1201 5.007,1202 3.058,1203 2.941,1204 3.037,1205 2.922,1206 2.793,1207 4.734,1208 2.773,1209 2.91,1210 2.937,1211 2.736,1212 2.735,1213 4.269,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.678,1219 4.185,1220 2.686,1221 0.159,1222 0.154,1223 0.245,1224 0.144,1225 0.114,1226 4.598,1227 0.157,1228 4.46,1229 0.132,1230 7.111,1231 0.402,1232 4.171,1233 0.102,1234 3.314,1235 4.545,1236 3.825,1237 11.657,1238 2.963,1239 1.913,1240 1.897,1241 1.995,1242 2.022,1243 1.094,1244 2.012,1245 1.821,1246 1.802,1247 1.88,1248 1.914,1249 1.027,1250 1.91,1251 1.527,1252 1.536,1253 1.697,1254 1.716,1255 0.751,1256 1.703,1257 1.409,1258 1.35,1259 1.458,1260 1.586,1261 0.691,1262 1.585,1263 1.094,1264 1.075,1265 1.181,1266 1.436,1267 0.227,1268 1.328,1269 0.886,1270 0.833,1271 1.148,1272 1.135,1273 0.218,1274 1.107,1275 0.862,1276 0.821,1277 1.012,1278 1.062,1279 0.124,1280 1.092,1281 0.843,1282 0.788,1283 0.951,1284 1.013,1286 1.034,1287 4.078,1289 5.442,1290 3.045,1291 6.978,1292 5.352,1293 8.59,1294 7.413,1295 10.241,1297 1.699,1299 37.953,1306 5.724,1310 -4.384,1314 26.465,1315 71.901,1316 139.346,1317 158.998,1318 168.608,1319 168.608,1320 168.608,1321 45.742,1322 7.618,1323 61.04,1324 89.28,1325 22,1326 12.601,1327 4.459,1328 3.524,1329 38.16,1330 99,1331 94,1332 0.188,1333 161.021,1334 273.16,1335 384.651,1336 21158,1337 8.3,1338 18.311,1339 0.704,1340 0.541,1341 16.165,1342 14.058,1343 12.398,1344 0.428,1345 0.284,1346 7.326,1347 11.205,1348 7.145,1349 5.853,1350 11.595,1351 8.248,1352 12.344,1353 0.287,1354 0.151,1355 11.029,1356 6.494,1357 9.651,1358 0.175,1359 0.084,1360 9.521,1361 4.614,1362 8.017,1363 0.111,1364 0.046,1365 8.222,1366 3.324,1367 6.22,1368 0.071,1369 0.025,1370 6.804,1371 2.191,1372 0.295,1373 83.762,1374 0.228,1375 25.143,1376 0.511,1377 144,1378 669.6,1379 200.105,1380 578.654,1381 767.42,1382 538,1383 170,1384 542.863,1385 218.855,1386 538.023,1387 808.87,1388 505,1389 5.1}
{0 CHEMBL1988163,1 1.766,2 10.269,3 3.086,4 9.523,5 100.21,6 8.913,7 0.759,8 3.854,9 3.953,10 3.731,11 3.468,12 5.017,13 3.446,14 4.333,15 4.453,16 3.998,17 3.833,18 5.811,19 3.805,20 4.548,21 4.721,22 3.967,23 3.9,24 5.769,25 3.851,26 4.549,27 4.747,28 3.892,29 3.825,30 5.75,31 3.773,32 4.476,33 4.684,34 3.797,35 3.755,36 5.7,37 3.7,38 4.386,39 4.584,40 3.697,41 3.678,42 5.53,43 3.615,44 4.305,45 4.527,46 3.664,47 3.583,48 5.588,49 3.511,50 4.149,51 4.339,52 3.522,53 3.504,54 5.317,55 3.427,56 0.119,57 0.679,58 8.513,59 3.589,60 19.283,61 3.584,62 0.372,63 1.05,64 12.916,65 5.909,66 61.148,67 6.451,68 0.318,69 1.23,70 18.803,71 7.416,72 38.343,73 8.132,74 0.406,75 1.221,76 19.635,77 7.058,78 46.758,79 8.086,80 0.419,81 1.131,82 19.344,83 6.751,84 44.471,85 7.936,86 0.324,87 1.029,88 15.99,89 5.805,90 43.899,91 6.884,92 0.433,93 0.948,94 15.649,95 5.665,96 47.865,97 7.187,98 0.203,99 0.81,100 13.279,101 5.086,102 20.508,103 5.894,104 11,105 42,106 0.303,107 0.555,108 0.71,109 0.832,110 0.868,111 0.868,112 3.304,113 0.967,114 -3.84,115 -3.8,116 -3.61,119 43.9,142 10,143 1,144 3,145 1,150 1,151 1,161 1,163 1,164 1,165 1,172 7,174 3,175 6,177 2,178 4,180 2,183 7,188 8,193 3,196 3,198 2,199 1,200 9,203 1,205 3,208 4,210 1,213 6,216 2,217 1,218 2,220 1,221 4,223 1,225 7,230 2,233 4,237 4,238 3,240 2,241 2,243 2,246 3,250 2,255 1,258 6,263 2,264 2,266 1,267 1,269 1,272 7,274 1,276 962,277 17.419,278 17.419,279 17.419,280 17.419,281 17.419,282 14.577,283 18.723,284 10.199,285 17.851,286 14.366,287 14.366,288 14.366,289 14.366,290 14.366,291 10.082,292 24.777,293 4.884,294 15.114,295 3.592,296 2.122,297 1.219,298 0.506,299 0.293,300 0.293,301 4.001,304 1,305 1,306 1,307 582,308 3.24,311 57.628,312 225.008,315 101.651,319 1.598,320 27.056,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 56.5,332 267,333 4.805,334 4.662,335 7.116,336 4.236,337 3.32,338 4.665,339 0.4,340 11.69,341 3.011,342 4.61,343 3.239,344 6.718,345 4.112,346 3.17,347 4.554,349 10.944,350 2.988,351 4.001,352 2.804,353 5.779,354 3.581,355 2.639,356 3.558,358 7.984,359 2.494,360 3.876,361 2.515,362 5.54,363 3.424,364 2.445,365 3.437,367 7.453,368 2.392,369 3.551,370 2.154,371 5.055,372 3.05,373 2.1,374 2.99,376 6.115,377 1.983,378 3.22,379 1.759,380 4.635,381 2.712,382 1.741,383 2.557,385 4.65,386 1.687,387 2.996,388 1.596,389 4.472,390 2.5,391 1.52,392 2.184,394 4.347,395 1.485,396 2.815,397 1.351,398 4.036,399 2.289,400 1.335,401 1.964,403 3.342,404 1.271,405 2.615,406 1.18,407 3.504,408 2.11,409 1.116,410 1.66,412 2.606,413 1.107,414 2.561,415 1.078,416 3.489,417 2.041,418 1.07,419 1.591,421 2.533,422 1.036,423 2.5,424 1,425 3.247,426 2,427 1,428 1.5,430 2.136,431 1,432 2.061,433 0.625,434 3.226,435 1.534,436 0.593,437 0.861,439 1.477,440 0.556,441 1.306,442 0.153,443 2.94,444 0.941,450 1,451 0.121,452 2.715,453 0.42,454 -0.537,455 -0.723,457 -1.294,458 -0.511,459 0.872,460 -0.453,461 2.367,462 0.236,463 -0.721,464 -0.968,466 -1.794,467 -0.676,468 12.5,469 0.481,470 0.754,471 0.029,472 40.75,473 1.567,474 23.5,475 0.904,476 17.25,477 0.663,478 15.818,479 0.608,480 26.5,481 0.646,482 29.558,483 1.137,484 7.939,485 0.305,486 4.565,487 0.176,488 0.085,489 0.067,490 0.272,496 0.647,497 1.27,498 0.785,499 1.125,500 0.782,501 0.811,502 0.526,503 1.021,504 0.909,505 1.029,506 0.437,507 0.952,508 1.125,509 1.241,510 1.016,511 1.047,512 0.936,513 1.032,514 1.133,515 1.041,516 0.942,517 0.922,518 1.033,519 0.977,520 0.931,521 0.973,522 0.953,523 0.88,524 0.78,525 0.915,526 1.101,527 1.1,528 0.911,529 0.935,530 1.023,531 1.045,532 0.564,533 0.74,534 0.737,535 0.699,536 0.435,537 0.835,538 0.918,539 1.02,540 1.02,541 1.062,542 0.751,543 1.059,544 6,545 0.175,546 2.889,547 1.819,548 1.209,549 0.712,550 0.551,551 0.333,552 0.214,553 0.217,554 8182,555 25628,556 2.115,557 36.6,559 10,560 1,561 1,562 3,567 1.69,568 1.987,569 3.359,570 1.012,571 1,572 1,577 72.388,578 1.766,579 3.236,580 4.139,581 4.851,582 5.065,583 5.065,584 2.763,585 4.287,586 4.675,587 3.515,588 1142.32,589 8.094,590 14205.7,591 1,592 1,594 1,595 219.66,596 1.508,597 4.629,598 0.207,599 0.009,600 0.069,601 0.045,602 0.034,603 0.021,604 0.019,605 0.012,606 0.009,607 0.01,608 0.435,609 0.33,610 1,611 0.721,612 127.073,613 0.026,614 -0.133,615 0.198,616 -0.069,617 -0.235,618 0.048,619 0.366,620 0.063,621 -0.063,622 -0.093,623 0.388,624 -0.104,625 -0.189,626 -0.233,627 -0.121,628 -0.117,629 -0.072,630 -0.108,631 -0.141,632 -0.039,633 -0.058,634 -0.031,635 -0.122,636 -0.042,637 -0.004,638 0.036,639 -0.046,640 0.023,641 0.019,642 0.036,643 -0.193,644 -0.118,645 -0.076,646 -0.063,647 -0.195,648 -0.101,649 0.311,650 0.261,651 0.155,652 0.187,653 0.265,654 0.138,655 -0.109,656 -0.031,657 -0.073,658 -0.09,659 -0.022,660 -0.084,661 4.688,662 4.495,663 0.808,664 21.846,665 1.016,666 1.12,667 2.609,668 6.807,669 0.717,670 3.401,671 3.761,672 4.007,673 4.277,674 4.511,675 4.564,676 4.745,677 4.844,678 4.927,679 5.063,680 6.238,681 0.692,682 365.45,683 3.401,684 4.963,685 5.814,686 6.708,687 7.579,688 8.474,689 9.354,690 10.25,691 11.134,692 12.03,693 12.2,697 1,701 2,703 2,708 2,709 12,710 2,714 4,715 1,716 22,728 1,735 41,737 24,738 2,739 29,741 44,742 18,743 18,744 3,745 9,748 4,749 5,762 18,767 2,770 1,772 2,779 1,780 1,783 15,784 6,785 3,786 8,787 1,792 5,797 0.75,798 2,810 1,811 1,815 1,816 3,819 1,843 3,845 1,851 26,852 1,855 1,860 1,874 4.9,877 2,881 13.083,882 7.183,883 5.5,884 2.168,886 4.295,887 1.564,888 1.057,889 4.11,890 11.913,891 3.761,892 4.457,893 5.035,894 5.664,895 6.236,896 6.55,897 7.057,898 7.482,899 7.827,900 8.283,901 0.857,902 40,903 9.771,905 4.457,906 7.939,907 17.928,909 14.928,911 2.439,912 63.417,915 1,916 141.253,917 131.916,918 84.772,920 44.313,922 5.807,923 126.109,924 185.566,925 84.772,928 140.909,929 91.37,930 38.594,931 13.67,932 117.711,934 141.253,935 210.881,936 44.313,937 5.807,939 141.253,940 44.313,943 32.572,944 144.739,945 39.378,947 141.253,948 129.085,949 131.916,951 5.807,952 141.253,953 13.252,954 114.756,955 18.011,956 109.175,957 141.253,958 129.085,959 131.916,961 0.592,962 0.333,963 0.177,964 0.099,965 22,966 9,967 0.091,968 4,969 1,970 1.095,971 3.805,972 223.664,973 0.095,974 21,975 116.211,980 1,981 16.578,982 6.445,983 3.433,984 1.647,985 127.186,986 21.641,987 8.843,991 1.91,992 1.961,993 49.302,994 402.255,995 42,998 -3.771,1000 22.989,1007 41.658,1008 45.906,1009 0.33,1010 0.604,1011 0.772,1012 0.906,1013 0.945,1014 0.945,1015 4.994,1016 1.335,1017 5.838,1018 4.347,1019 4.443,1020 5.145,1021 0.278,1022 6.691,1023 4.339,1024 6.258,1025 1.116,1026 7.427,1027 3.342,1028 4.205,1029 5.198,1031 7.854,1032 3.993,1033 7.616,1034 1.07,1035 9.13,1036 2.606,1037 6.125,1038 7.52,1039 0.05,1040 10.877,1041 5.881,1042 9.017,1043 1,1044 10.902,1045 2.533,1046 6.698,1047 8.396,1049 12.848,1050 6.327,1051 10.454,1052 0.593,1053 12.72,1054 2.136,1055 8.139,1056 10.225,1057 0.008,1058 15.459,1059 7.733,1060 11.915,1062 14.569,1063 1.477,1064 9.059,1065 11.463,1067 17.723,1068 8.528,1069 13.397,1070 -0.537,1071 16.441,1073 10.326,1074 13.106,1075 0.001,1076 20.213,1077 9.743,1078 3.32,1079 -0.721,1080 18.328,1081 -1.294,1082 11.395,1083 14.505,1085 22.584,1086 10.698,1087 3.17,1088 11.69,1089 20.229,1090 -1.794,1091 12.6,1092 16.076,1094 25.037,1095 11.836,1096 2.639,1097 10.944,1098 22.138,1099 4.665,1100 13.733,1101 17.547,1103 27.45,1104 12.865,1105 2.445,1106 7.984,1107 24.056,1108 4.554,1109 14.918,1110 19.091,1112 29.893,1113 13.974,1114 2.1,1115 7.453,1116 25.979,1117 3.558,1118 16.078,1119 20.594,1121 32.322,1122 15.036,1123 1.741,1124 6.115,1125 27.907,1126 3.437,1127 17.259,1128 22.128,1130 34.763,1131 16.135,1132 1.52,1133 4.65,1134 29.84,1135 2.99,1136 18.432,1137 23.645,1139 37.2,1140 17.214,1141 7760,1142 13913,1143 19.474,1144 29.392,1145 44.465,1146 44.513,1147 44.202,1148 44.169,1149 44.095,1150 63.043,1151 0.8,1152 130.554,1153 42.02,1154 5.573,1155 6.662,1156 6.918,1157 5.312,1158 5.32,1159 7.665,1160 0.8,1161 18.818,1162 5.011,1163 11.456,1164 1.533,1165 1.535,1166 1.524,1167 1.523,1168 1.521,1169 2.174,1170 0.028,1171 4.502,1172 1.449,1173 4.14,1174 4.18,1175 4.728,1176 4.059,1177 7.726,1178 4.03,1179 4.045,1180 4.029,1181 4.102,1182 3.986,1183 6.999,1184 3.947,1185 3.816,1186 3.85,1187 3.765,1188 3.742,1189 5.11,1190 3.738,1191 3.643,1192 3.641,1193 3.699,1194 3.549,1195 4.831,1196 3.477,1197 3.329,1198 3.395,1199 3.275,1200 3.115,1201 4.755,1202 3.144,1203 2.986,1204 3.057,1205 2.893,1206 2.822,1207 4.671,1208 2.829,1209 2.854,1210 2.925,1211 2.704,1212 2.735,1213 4.372,1214 2.715,1215 2.823,1216 2.889,1217 2.687,1218 2.693,1219 3.99,1220 2.687,1221 0.166,1222 0.161,1223 0.245,1224 0.146,1225 0.114,1226 4.805,1227 0.161,1228 4.662,1229 0.014,1230 7.116,1231 0.403,1232 4.236,1233 0.104,1234 3.32,1235 4.665,1236 0.4,1237 11.69,1238 3.011,1239 1.962,1240 1.963,1241 2.028,1242 2.073,1243 1.153,1244 2.076,1245 1.917,1246 1.886,1247 1.987,1248 2.014,1249 1.103,1250 2.029,1251 1.773,1252 1.741,1253 1.837,1254 1.904,1255 0.917,1256 1.9,1257 1.459,1258 1.482,1259 1.564,1260 1.641,1261 0.619,1262 1.678,1263 1.412,1264 1.359,1265 1.284,1266 1.6,1267 0.521,1268 1.599,1269 1.046,1270 0.982,1271 1.228,1272 1.28,1273 0.273,1274 1.271,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.802,1282 0.742,1283 1.057,1284 0.993,1285 0.109,1286 1.019,1287 4.078,1289 5.425,1290 2.398,1291 6.961,1292 4.727,1293 8.578,1294 6.843,1295 10.237,1301 5.174,1305 3.021,1314 28.358,1315 72.388,1316 132.666,1317 169.685,1318 198.905,1319 207.66,1320 207.66,1321 38.849,1322 7.618,1323 102.9,1324 111.28,1325 23,1326 12.557,1327 4.644,1328 3.807,1329 38.078,1330 98,1331 87,1332 0.191,1333 177.68,1334 291.61,1335 425.299,1336 21525,1338 18.148,1339 0.698,1340 0.553,1341 18.398,1342 14.388,1343 12.504,1344 0.431,1345 0.322,1346 7.829,1347 11.319,1348 7.557,1349 6.277,1350 13.398,1351 9.347,1352 12.074,1353 0.287,1354 0.173,1355 13.461,1356 7.253,1357 9.507,1358 0.176,1359 0.089,1360 10.25,1361 4.791,1362 7.987,1363 0.112,1364 0.045,1365 8.515,1366 3.215,1367 6.635,1368 0.074,1369 0.024,1370 7.122,1371 2.14,1372 0.3,1373 87.026,1374 0.227,1375 25.023,1376 0.526,1377 142,1378 432.912,1379 189.339,1380 448.236,1381 614.62,1382 412,1383 167,1384 439.736,1385 220.435,1386 482.164,1387 699.1,1388 451,1389 7.1}
{0 CHEMBL1988173,1 1.711,2 11.241,3 4.759,4 22.643,5 119.157,6 8.693,7 0.581,8 3.981,9 4.091,10 3.665,11 3.602,12 5.174,13 3.564,14 4.441,15 4.572,16 4.065,17 3.97,18 5.646,19 3.918,20 4.739,21 4.898,22 4.194,23 4.129,24 6.041,25 4.053,26 4.833,27 5.014,28 4.192,29 4.122,30 6.096,31 4.045,32 4.868,33 5.06,34 4.221,35 4.112,36 6.172,37 4.026,38 4.801,39 5.012,40 4.04,41 4.039,42 6.008,43 3.915,44 4.659,45 4.897,46 4.005,47 3.935,48 5.756,49 3.783,50 4.481,51 4.697,52 3.82,53 3.818,54 5.633,55 3.672,56 0.092,57 0.67,58 7.917,59 4.1,60 12.98,61 4.95,62 0.158,63 1.05,64 14.639,65 6.765,66 22.263,67 8.543,68 0.413,69 1.351,70 26.204,71 10.033,72 64.781,73 12.025,74 0.406,75 1.47,76 28.582,77 10.717,78 64.64,79 12.143,80 0.539,81 1.524,82 34.617,83 11.532,84 88.824,85 12.738,86 0.503,87 1.515,88 34.631,89 11.219,90 78.783,91 12.197,92 0.373,93 1.283,94 31.44,95 10.025,96 51.854,97 11.852,98 0.266,99 1.065,100 26.883,101 9.234,102 41.097,103 10.542,104 26,105 43,106 0.287,107 0.557,108 0.668,109 0.778,110 0.796,111 0.796,112 3.408,113 0.935,114 -5.2,115 -5.09,116 -4.76,119 44.9,120 1,130 1,142 13,143 3,144 2,158 1,159 1,169 1,172 15,178 1,179 1,180 4,183 18,188 2,191 2,192 2,193 9,196 15,200 4,204 1,205 12,208 10,213 4,216 1,218 16,221 10,225 2,229 1,230 11,233 8,238 2,243 7,246 4,250 3,255 7,258 5,269 5,272 14,276 1409,277 19.247,278 19.247,279 19.247,280 19.247,281 19.247,282 16.721,283 19.132,284 11.452,285 19.607,286 15.25,287 15.25,288 15.25,289 15.25,290 15.25,291 11.561,292 21.657,293 5.387,294 15.896,295 3.904,296 2.295,297 1.64,298 0.985,299 0.873,300 0.873,301 4.085,302 1,305 1,306 1,307 689,308 4.183,312 338.458,319 1.543,320 30.896,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 61.833,332 326,333 4.793,334 4.38,335 8.082,336 4.631,337 3.655,338 4.137,339 2.538,340 15.289,341 3.56,342 4.246,343 3.783,344 6.085,345 3.842,346 2.879,347 3.888,348 1.737,349 8.824,350 2.773,351 3.736,352 3.088,353 5.58,354 3.278,355 2.36,356 3.298,357 1.214,358 6.623,359 2.278,360 3.682,361 3.071,362 5.424,363 3.263,364 2.278,365 2.958,366 0.142,367 6.343,368 2.183,369 3.534,370 2.627,371 5.082,372 3.084,373 2.122,374 2.868,376 5.905,377 1.962,378 3.367,379 2.361,380 4.849,381 2.885,382 1.986,383 2.608,385 5.382,386 1.705,387 3.012,388 1.904,389 4.162,390 2.583,391 1.593,392 2.143,394 3.747,395 1.56,396 2.818,397 1.668,398 4.082,399 2.39,400 1.404,401 1.94,403 3.532,404 1.378,405 2.781,406 1.38,407 3.669,408 2.317,409 1.317,410 1.908,412 2.901,413 1.317,414 2.5,415 1.268,416 3.432,417 2,418 1,419 1.5,421 2.202,422 1,423 2.5,424 1.102,425 3.247,426 2,427 1,428 1.5,430 2.136,431 1,432 2.208,433 1,434 3.247,435 1.84,436 0.88,437 1.109,439 2.136,440 0.837,441 1.724,442 1,443 3.108,444 1.423,445 0.443,446 0.525,448 1.051,449 0.417,450 1.543,451 0.854,452 2.742,453 1.086,454 0.156,455 0.198,457 0.341,458 0.136,459 0.805,460 0.32,461 2.703,462 0.416,463 -0.514,464 -0.621,466 -1.242,467 -0.369,468 14.414,469 0.497,470 0.764,471 0.026,472 38.25,473 1.319,474 21,475 0.724,476 17.25,477 0.595,478 23.998,479 0.828,480 29.986,481 0.612,482 31.307,483 1.08,484 7.907,485 0.273,486 6,487 0.207,488 0.188,489 0.035,490 0.243,496 0.802,497 0.896,498 0.6,499 0.703,500 0.774,501 0.767,502 0.642,503 1.15,504 0.64,505 0.95,506 0.671,507 0.946,508 0.867,509 1.137,510 0.943,511 1.087,512 0.906,513 1.045,514 1.443,515 1.122,516 0.897,517 0.952,518 1.44,519 0.982,520 1.489,521 1.129,522 1.019,523 1.014,524 1.557,525 0.968,526 1.343,527 1.135,528 1.179,529 1.124,530 1.369,531 1.036,532 0.915,533 0.909,534 0.787,535 0.827,536 0.838,537 0.868,538 0.874,539 0.946,540 1.112,541 1.119,542 0.938,543 0.928,544 6.5,545 0.128,546 4.222,547 2.813,548 1.751,549 0.66,550 0.665,551 0.429,552 0.301,553 0.272,554 10289,555 32268,556 2.005,557 40.8,558 3,559 13,562 4,567 1.722,568 1.861,569 3.417,570 1.629,577 83.82,578 1.711,579 3.319,580 3.974,581 4.63,582 4.742,583 4.742,584 2.819,585 4.168,586 4.831,587 3.607,588 1464.38,589 8.424,590 19982.3,592 1,595 275.121,596 1.573,597 4.772,598 0.21,599 0.005,600 0.098,601 0.06,602 0.039,603 0.015,604 0.018,605 0.014,606 0.01,607 0.01,608 0.479,610 1,611 0.605,612 147.278,613 -0.065,614 0.18,615 -0.01,616 0.099,617 -0.152,618 0.07,619 0.118,620 -0.118,621 0.045,622 -0.102,623 0.02,624 -0.064,625 0.187,626 -0.133,627 -0.064,628 -0.161,629 0.163,630 -0.126,631 -0.144,632 -0.109,633 -0.047,634 -0.042,635 -0.085,636 -0.073,637 -0.111,638 -0.105,639 -0.033,640 -0.038,641 -0.065,642 -0.038,643 -0.18,644 -0.036,645 -0.15,646 -0.07,647 -0.156,648 -0.086,649 -0.031,650 0.138,651 0.193,652 0.195,653 0.004,654 0.133,655 0.005,656 0.085,657 0.02,658 0.039,659 0.029,660 0.105,661 3.138,662 6.006,663 0.621,664 26.785,665 1.006,666 1.113,667 3.966,668 15.727,669 0.72,670 3.466,671 3.784,672 4.043,673 4.234,674 4.394,675 4.29,676 4.331,677 4.277,678 4.19,679 4.19,680 6.712,681 0.679,682 425.97,683 3.466,684 5.004,685 5.849,686 6.725,687 7.594,688 8.478,689 9.357,690 10.245,691 11.13,692 12.021,693 6.1,700 3,709 13,714 5,716 18,734 1,735 49,737 20,738 3,739 31,741 51,742 22,743 18,744 5,745 13,748 3,749 3,750 1,753 1,754 1,762 20,763 2,764 1,767 2,772 1,773 1,776 2,783 20,784 5,785 4,786 7,787 2,792 3,795 1,797 1,798 2,801 1,816 3,841 1,843 3,845 1,847 1,848 1,851 29,857 1,860 3,865 1,873 1,874 4.1,875 1,877 1,881 15.583,882 8.76,883 6.444,884 2.648,886 2.148,887 1.313,888 0.945,889 6.873,890 9.019,891 3.761,892 4.324,893 4.834,894 5.333,895 5.818,896 5.759,897 6.024,898 6.195,899 6.185,900 6.345,901 1,902 47,903 10.739,905 4.614,906 7.886,907 19.915,909 15.912,911 2.386,912 69.194,915 1,916 188.338,917 198.012,918 53.787,919 39.149,920 67.828,922 45.192,923 152.82,924 295.315,925 53.787,926 8.825,927 53.787,928 165.875,929 29.85,930 15.814,931 0.285,932 188.338,933 84.341,934 188.338,935 206.607,936 67.828,937 84.341,939 188.338,940 25.145,941 42.683,943 62.612,944 143.994,945 39.149,946 45.192,947 188.338,948 121.615,949 237.16,952 188.338,953 20.803,954 132.016,955 53.787,956 152.169,957 188.338,958 121.615,959 237.16,961 0.581,962 0.344,963 0.183,964 0.099,965 19,966 9,967 0.098,968 5,970 1,971 3.939,972 248.307,974 18,975 120.881,978 1,981 21.272,982 9.371,983 4.945,985 121.615,986 22.795,991 3.16,993 96.471,994 547.113,995 42,1000 13.006,1001 5.252,1004 -0.487,1007 49.313,1008 54.515,1009 0.305,1010 0.591,1011 0.708,1012 0.825,1013 0.845,1014 0.845,1015 4.987,1016 1.404,1017 5.861,1018 3.747,1019 4.466,1020 5.011,1021 2.898,1022 6.735,1023 4.391,1024 6.202,1025 1.317,1026 7.474,1027 3.532,1028 4.205,1029 4.758,1030 2.812,1031 8.131,1032 4.044,1033 7.518,1034 1,1035 9.223,1036 2.901,1037 6.146,1038 7.144,1039 4.163,1040 11.279,1041 6.013,1042 8.876,1043 1,1044 11.068,1045 2.202,1046 6.781,1047 7.675,1048 4.696,1049 13.642,1050 6.591,1051 10.273,1052 0.88,1053 12.98,1054 2.136,1055 8.251,1056 9.564,1057 5.772,1058 16.46,1059 8.069,1060 11.7,1061 0.443,1062 14.942,1063 2.136,1064 9.28,1065 10.479,1066 6.546,1067 19.095,1068 9.061,1069 13.151,1070 0.156,1071 16.941,1072 1.051,1073 10.606,1074 12.141,1075 7.528,1076 21.843,1077 10.378,1078 3.655,1079 -0.514,1080 18.966,1081 0.341,1082 11.796,1083 13.267,1084 8.397,1085 24.547,1086 11.539,1087 2.879,1088 15.289,1089 21.01,1090 -1.242,1091 13.086,1092 14.81,1093 9.346,1094 27.278,1095 12.811,1096 2.36,1097 8.824,1098 23.067,1099 4.137,1100 14.338,1101 16.055,1102 10.252,1103 29.999,1104 14.036,1105 2.278,1106 6.623,1107 25.133,1108 3.888,1109 15.623,1110 17.534,1111 11.189,1112 32.727,1113 15.299,1114 2.122,1115 6.343,1116 27.206,1117 3.298,1118 16.898,1119 18.848,1120 12.11,1121 35.453,1122 16.549,1123 1.986,1124 5.905,1125 29.284,1126 2.958,1127 18.186,1128 20.292,1129 13.043,1130 38.18,1131 17.812,1132 1.593,1133 5.382,1134 31.366,1135 2.868,1136 19.471,1137 21.646,1138 13.97,1139 40.907,1140 19.072,1141 10062,1142 17955,1143 20.167,1144 35.284,1145 46.953,1146 48.186,1147 47.965,1148 46.42,1149 46.15,1150 61.157,1151 11.263,1152 132.82,1153 44.212,1154 5.738,1155 6.38,1156 7.883,1157 5.667,1158 5.655,1159 7.137,1160 4.129,1161 23.242,1162 5.56,1163 15.32,1164 1.515,1165 1.554,1166 1.547,1167 1.497,1168 1.489,1169 1.973,1170 0.363,1171 4.285,1172 1.426,1173 4.015,1174 4.037,1175 4.045,1176 3.949,1177 7.43,1178 3.948,1179 3.929,1180 3.956,1181 3.952,1182 3.874,1183 6.442,1184 3.866,1185 3.808,1186 3.841,1187 3.862,1188 3.753,1189 4.971,1190 3.743,1191 3.562,1192 3.62,1193 3.729,1194 3.395,1195 4.833,1196 3.366,1197 3.332,1198 3.353,1199 3.414,1200 3.221,1201 4.762,1202 3.202,1203 3.175,1204 3.256,1205 3.356,1206 3.039,1207 4.688,1208 3.011,1209 2.973,1210 3.039,1211 2.905,1212 2.782,1213 4.328,1214 2.78,1215 2.854,1216 2.925,1217 2.888,1218 2.735,1219 4.024,1220 2.715,1221 0.155,1222 0.141,1223 0.261,1224 0.149,1225 0.118,1226 4.793,1227 0.133,1228 4.38,1229 0.082,1230 8.082,1231 0.493,1232 4.631,1233 0.115,1234 3.655,1235 4.137,1236 2.538,1237 15.289,1238 3.56,1239 1.976,1240 1.957,1241 2.074,1242 2.06,1243 1.203,1244 2.063,1245 1.91,1246 1.886,1247 2.001,1248 1.994,1249 1.136,1250 2.005,1251 1.824,1252 1.794,1253 1.961,1254 1.905,1255 1.01,1256 1.926,1257 1.426,1258 1.387,1259 1.536,1260 1.713,1261 0.596,1262 1.675,1263 1.238,1264 1.218,1265 1.509,1266 1.432,1267 0.549,1268 1.461,1269 1.203,1270 1.127,1271 1.3,1272 1.404,1273 0.352,1274 1.414,1275 0.887,1276 0.829,1277 1.181,1278 1.163,1279 0.218,1280 1.149,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.143,1289 5.46,1291 6.987,1293 8.612,1295 10.29,1297 1.888,1298 5.962,1302 11.369,1305 8.137,1310 -1.888,1314 33.25,1315 83.82,1316 162.645,1317 194.75,1318 226.856,1319 232.366,1320 232.366,1321 65.726,1322 6.871,1323 73.39,1324 105.48,1325 18,1326 12.551,1327 4.392,1328 3.585,1329 52.4,1330 115,1331 127,1332 0.217,1333 215.26,1334 374.64,1335 516.993,1336 7803,1337 2,1338 20.855,1339 0.719,1340 0.594,1341 21.855,1342 17.22,1343 13.908,1344 0.449,1345 0.312,1346 8.867,1347 13.041,1348 8.563,1349 7.143,1350 14.485,1351 9.666,1352 12.511,1353 0.291,1354 0.169,1355 13.327,1356 7.28,1357 10.438,1358 0.186,1359 0.087,1360 10.963,1361 4.877,1362 8.146,1363 0.12,1364 0.049,1365 8.65,1366 3.3,1367 6.397,1368 0.08,1369 0.027,1370 6.9,1371 2.125,1372 0.341,1373 91.902,1374 0.223,1375 27.521,1376 0.596,1377 148,1378 427.948,1379 187.977,1380 476.778,1381 629.21,1382 440,1383 173,1384 420.741,1385 203.03,1386 448.133,1387 653.05,1388 421,1389 5.1}
{0 CHEMBL1988300,1 1.51,2 11.464,3 4.014,4 16.111,5 117.879,6 8.522,7 0.813,8 3.936,9 4.051,10 3.668,11 3.612,12 5.117,13 3.572,14 4.381,15 4.507,16 4.048,17 4.015,18 5.523,19 3.953,20 4.591,21 4.764,22 4.078,23 4.102,24 5.678,25 4.013,26 4.643,27 4.84,28 4.042,29 4.083,30 5.677,31 3.963,32 4.561,33 4.77,34 3.843,35 3.978,36 5.535,37 3.834,38 4.437,39 4.634,40 3.849,41 3.853,42 5.527,43 3.756,44 4.431,45 4.642,46 3.789,47 3.813,48 5.477,49 3.71,50 4.359,51 4.576,52 3.663,53 3.751,54 5.425,55 3.628,56 0.051,57 0.679,58 7.664,59 3.54,60 10.834,61 4.131,62 0.082,63 1.059,64 13.495,65 6.354,66 12.398,67 7.65,68 0.112,69 1.297,70 18.052,71 7.805,72 20.905,73 9.504,74 0.17,75 1.387,76 23.863,77 9.094,78 24.045,79 10.882,80 0.124,81 1.243,82 25.005,83 9.619,84 20.443,85 11.337,86 0.187,87 1.155,88 19.265,89 7.092,90 23.894,91 8.561,92 0.128,93 1.117,94 18.662,95 7.105,96 21.518,97 8.737,98 0.183,99 1.029,100 18.288,101 7.331,102 26.901,103 9.225,104 5,105 46,106 0.253,107 0.586,108 0.77,109 0.867,110 0.874,111 0.874,112 3.375,113 0.911,114 -4.52,115 -4.44,116 -4.18,119 48.9,135 2,142 8,143 4,144 1,145 1,146 1,147 1,151 1,152 2,161 1,163 2,164 2,165 2,172 11,175 4,177 1,178 2,180 5,183 14,185 3,188 5,193 6,196 11,198 3,200 5,205 6,208 10,210 4,213 2,218 4,221 10,223 4,224 1,225 4,228 1,230 6,233 9,235 4,238 1,243 2,246 6,248 1,250 3,252 2,253 2,254 2,255 2,257 3,258 6,260 1,262 1,264 4,269 3,272 6,274 1,276 1210,277 19.309,278 19.309,279 19.309,280 19.309,281 19.309,282 16.159,283 6.325,284 11.254,285 19.684,286 15.813,287 15.813,288 15.813,289 15.813,290 15.813,291 11.069,292 5,293 5.36,294 16.457,295 3.982,296 1.986,297 0.889,298 0.311,299 0.267,300 0.267,301 4.088,305 1,306 1,307 723,308 2.646,311 111.275,312 223.77,315 215.386,319 1.893,320 16.057,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 58.5,332 321,333 4.725,334 3.299,335 6.972,336 4.252,337 3.286,338 4.705,340 11.822,341 3.176,342 4.463,343 2.983,344 6.243,345 3.939,346 2.983,347 4.408,349 9.474,350 2.851,351 4.091,352 2.71,353 6.077,354 3.679,355 2.693,356 3.706,358 8.747,359 2.648,360 3.77,361 2.414,362 5.532,363 3.34,364 2.358,365 3.241,367 6.976,368 2.314,369 3.554,370 2.247,371 5.128,372 3.131,373 2.167,374 2.931,376 6.205,377 2.087,378 3.485,379 2.108,380 5.029,381 3.03,382 2.085,383 2.864,385 5.965,386 1.971,387 3.199,388 1.784,389 4.688,390 2.686,391 1.759,392 2.485,394 4.863,395 1.611,396 3.032,397 1.532,398 4.414,399 2.495,400 1.532,401 2.298,403 4.312,404 1.474,405 2.891,406 1.391,407 4.173,408 2.383,409 1.391,410 2.062,412 3.206,413 1.379,414 2.58,415 1.111,416 3.679,417 2.054,418 1.097,419 1.607,421 2.965,422 1.039,423 2.5,424 1,425 3.604,426 2,427 1,428 1.5,430 2.349,431 1,432 2.476,433 0.933,434 3.414,435 1.807,436 0.929,437 1.378,439 2.275,440 0.799,441 2.185,442 0.661,443 3.203,444 1.527,445 0.62,446 0.933,448 1.48,449 0.554,450 1.847,451 0.347,452 3,453 1.295,454 0.347,455 0.521,457 0.86,458 0.328,459 1.323,460 0.053,461 2.72,462 0.899,463 -0.043,464 -0.056,466 -0.103,467 -0.04,468 13.833,469 0.494,470 0.657,471 0.023,472 42.5,473 1.518,474 24.5,475 0.875,476 18,477 0.643,478 19.236,479 0.687,480 26.967,481 0.599,482 29.656,483 1.059,484 8.29,485 0.296,486 5.397,487 0.193,488 0.058,490 0.361,496 1.163,497 0.888,498 0.728,499 0.674,500 1.308,501 0.678,502 0.678,503 1.009,504 0.843,505 0.938,506 0.576,507 0.878,508 1.11,509 1.036,510 0.9,511 0.912,512 0.951,513 0.963,514 1.074,515 1.083,516 1.146,517 1.123,518 1.033,519 1.052,520 0.903,521 1.093,522 1.352,523 1.269,524 0.741,525 1.102,526 1.005,527 1.095,528 1.091,529 1.119,530 1.045,531 1.025,532 1.12,533 1.147,534 0.972,535 1.022,536 1.236,537 0.988,538 0.555,539 0.877,540 0.999,541 1.034,542 0.542,543 0.998,544 5,545 0.123,546 3.333,547 1.819,548 1.664,549 0.761,550 0.494,551 0.477,552 0.228,553 0.196,554 10836,555 27802,556 2.2,557 37.8,559 10,560 1,561 1,562 5,567 1.709,568 2.1,569 3.49,570 2.432,572 1,577 67.929,578 1.51,579 3.506,580 4.603,581 5.181,582 5.225,583 5.225,584 2.955,585 4.236,586 4.777,587 3.644,588 1377.45,589 8.3,590 18035.9,592 1,594 1,595 247.133,596 1.264,597 4.757,598 0.156,599 0.006,600 0.072,601 0.04,602 0.042,603 0.022,604 0.015,605 0.015,606 0.008,607 0.008,608 0.384,609 0.17,610 0.88,611 0.444,612 140.678,613 -0.207,614 0.153,615 0.031,616 0.165,617 -0.335,618 0.122,619 0.142,620 -0.015,621 0.013,622 -0.024,623 0.112,624 -0.018,625 -0.149,626 -0.039,627 -0.018,628 0.005,629 -0.08,630 -0.056,631 -0.091,632 -0.084,633 -0.042,634 -0.072,635 -0.112,636 -0.078,637 -0.051,638 -0.13,639 -0.125,640 -0.124,641 0.056,642 -0.064,643 0.096,644 -0.069,645 -0.037,646 -0.114,647 -0.004,648 -0.077,649 -0.046,650 -0.147,651 0.038,652 -0.038,653 -0.141,654 -0.018,655 0.363,656 0.082,657 0.042,658 -0.009,659 0.383,660 0.015,661 1.135,662 2.224,663 0.857,664 26.944,665 0.997,666 1.109,667 3.288,668 10.809,669 0.739,670 3.497,671 3.85,672 4.174,673 4.489,674 4.718,675 4.796,676 4.927,677 5.124,678 5.165,679 5.263,680 6.689,681 0.699,682 383.51,683 3.497,684 5.056,685 5.932,686 6.83,687 7.723,688 8.625,689 9.525,690 10.43,691 11.333,692 12.24,693 11.1,697 2,701 1,703 2,708 4,709 10,710 2,711 1,713 1,714 6,716 26,727 2,735 45,737 27,738 2,739 32,741 49,742 22,743 20,744 4,745 8,746 2,748 5,749 7,762 22,767 1,774 2,780 1,783 17,784 4,785 5,786 6,787 1,789 1,792 5,797 0.6,809 1,815 2,816 3,819 2,834 2,843 3,845 1,851 28,852 2,869 1,881 13.333,882 7.983,883 6,884 2.481,886 5.808,887 1.714,888 1.1,889 4.191,890 13.939,891 3.85,892 4.554,893 5.261,894 5.945,895 6.516,896 6.919,897 7.398,898 7.932,899 8.271,900 8.728,901 0.875,902 45,903 10.267,905 4.449,906 7.607,907 19.757,909 16.676,911 2.107,912 59,915 1,916 141.253,917 167.313,918 116.151,922 31.278,923 136.035,924 141.253,925 116.151,928 168.206,929 47.67,930 42.864,931 16.989,932 148.989,934 141.253,935 252.186,937 31.278,939 141.253,943 30.305,944 169.358,945 52.524,946 31.278,947 141.253,948 116.151,949 167.313,952 141.253,953 55.854,954 111.459,955 16.786,956 99.365,957 141.253,958 116.151,959 167.313,961 0.588,962 0.351,963 0.197,964 0.109,965 25,966 10,967 0.061,968 3,969 2,970 1.167,971 4.074,972 255.027,973 0.167,974 24,975 130.606,977 1,981 17.11,982 6.859,983 3.124,984 4.044,985 99.365,986 19.709,987 9.007,988 3.31,990 1.661,991 5.238,993 82.58,994 424.717,995 46,1002 3.991,1007 44.887,1008 49.903,1009 0.275,1010 0.638,1011 0.838,1012 0.943,1013 0.951,1014 0.951,1015 5.078,1016 1.532,1017 5.922,1018 4.863,1019 4.533,1020 5.242,1022 6.763,1023 4.455,1024 6.324,1025 1.391,1026 7.494,1027 4.312,1028 4.111,1029 5.094,1031 7.714,1032 4.01,1033 7.652,1034 1.097,1035 9.167,1036 3.206,1037 6.151,1038 7.584,1040 10.852,1041 6.01,1042 9.023,1043 1,1044 10.901,1045 2.965,1046 6.581,1047 8.325,1049 12.685,1050 6.406,1051 10.427,1052 0.929,1053 12.676,1054 2.349,1055 8.071,1056 10.237,1058 15.344,1059 7.867,1060 11.856,1061 0.62,1062 14.481,1063 2.275,1064 8.895,1065 11.398,1067 17.541,1068 8.65,1069 13.306,1070 0.347,1071 16.308,1072 1.48,1073 10.174,1074 13.077,1076 20.052,1077 9.901,1078 3.286,1079 -0.043,1080 18.153,1081 0.86,1082 11.182,1083 14.438,1085 22.4,1086 10.868,1087 2.983,1088 11.822,1089 20.011,1090 -0.103,1091 12.381,1092 16.023,1094 24.868,1095 12.037,1096 2.693,1097 9.474,1098 21.882,1099 4.705,1100 13.475,1101 17.476,1103 27.281,1104 13.09,1105 2.358,1106 8.747,1107 23.761,1108 4.408,1109 14.647,1110 19.024,1112 29.74,1113 14.23,1114 2.167,1115 6.976,1116 25.649,1117 3.706,1118 15.781,1119 20.519,1121 32.18,1122 15.325,1123 2.085,1124 6.205,1125 27.544,1126 3.241,1127 16.947,1128 22.054,1130 34.64,1131 16.458,1132 1.759,1133 5.965,1134 29.445,1135 2.931,1136 18.1,1137 23.569,1139 37.094,1140 17.575,1141 9901,1142 16000,1143 22.076,1144 33.245,1145 49.345,1146 48.399,1147 49.812,1148 48.458,1149 48.494,1150 69.28,1152 142.997,1153 46.462,1154 5.38,1155 5.299,1156 6.655,1157 5.358,1158 5.286,1159 7.705,1161 19.203,1162 5.176,1163 9.823,1164 1.542,1165 1.512,1166 1.557,1167 1.514,1168 1.515,1169 2.165,1171 4.469,1172 1.452,1173 4.143,1174 4.171,1175 4.341,1176 4.131,1177 5.195,1178 4.094,1179 4.066,1180 4.092,1181 4.059,1182 3.97,1183 5.105,1184 3.98,1185 3.843,1186 3.877,1187 3.808,1188 3.785,1189 5.07,1190 3.775,1191 3.519,1192 3.561,1193 3.522,1194 3.447,1195 4.686,1196 3.433,1197 3.311,1198 3.364,1199 3.378,1200 3.186,1201 4.504,1202 3.179,1203 3.177,1204 3.256,1205 3.134,1206 3.006,1207 4.375,1208 2.999,1209 2.974,1210 3.068,1211 2.934,1212 2.825,1213 4.184,1214 2.796,1215 2.911,1216 2.981,1217 2.791,1218 2.776,1219 3.986,1220 2.769,1221 0.148,1222 0.103,1223 0.218,1224 0.133,1225 0.103,1226 4.725,1227 0.147,1228 3.299,1230 6.972,1231 0.369,1232 4.252,1233 0.099,1234 3.286,1235 4.705,1237 11.822,1238 3.176,1239 1.965,1240 1.945,1241 2.038,1242 2.042,1243 1.18,1244 2.042,1245 1.91,1246 1.881,1247 2.011,1248 2.007,1249 1.098,1250 2.011,1251 1.849,1252 1.828,1253 1.912,1254 1.939,1255 1.041,1256 1.944,1257 1.546,1258 1.502,1259 1.655,1260 1.735,1261 0.713,1262 1.713,1263 1.365,1264 1.352,1265 1.411,1266 1.461,1267 0.584,1268 1.487,1269 1.062,1270 0.999,1271 1.28,1272 1.334,1273 0.3,1274 1.329,1275 0.946,1276 0.889,1277 1.181,1278 1.161,1279 0.218,1280 1.196,1281 0.928,1282 0.876,1283 1.151,1284 1.131,1285 0.188,1286 1.146,1287 4.174,1289 5.517,1290 3.045,1291 7.054,1292 5.416,1293 8.679,1294 7.545,1295 10.354,1301 12.041,1314 31.455,1315 67.929,1316 157.749,1317 207.133,1318 233.133,1319 235.133,1320 235.133,1321 32.809,1322 8.131,1323 93.61,1324 121.85,1325 28,1326 12.758,1327 4.807,1328 3.907,1329 37.754,1330 112,1331 112,1332 0.164,1333 194.809,1334 314.69,1335 467.093,1336 42336,1338 19.087,1339 0.682,1340 0.561,1341 19.441,1342 15.702,1343 13.687,1344 0.428,1345 0.304,1346 8.843,1347 12.971,1348 8.569,1349 7.102,1350 14.141,1351 9.713,1352 12.536,1353 0.273,1354 0.161,1355 13.061,1356 7.426,1357 11.028,1358 0.172,1359 0.09,1360 11.747,1361 5.731,1362 9.53,1363 0.108,1364 0.05,1365 10.472,1366 4.38,1367 7.922,1368 0.071,1369 0.027,1370 8.741,1371 2.979,1372 0.258,1373 88.509,1374 0.213,1375 26.791,1376 0.447,1377 156,1378 383.108,1379 186.275,1380 412.741,1381 587.18,1382 388,1383 188,1384 440.625,1385 217.735,1386 469.026,1387 689.29,1388 443,1389 5.1}
{0 CHEMBL1988370,1 1.41,2 13.5,3 4.667,4 21.778,5 137.395,6 6.979,7 0.564,8 4.275,9 4.404,10 3.81,11 3.835,12 5.268,13 3.802,14 4.837,15 5.021,16 4.147,17 4.246,18 5.758,19 4.184,20 5.093,21 5.323,22 4.149,23 4.365,24 5.921,25 4.259,26 5.141,27 5.396,28 4.147,29 4.354,30 5.967,31 4.242,32 5.104,33 5.346,34 4.122,35 4.36,36 5.931,37 4.249,38 5.102,39 5.34,40 4.121,41 4.354,42 5.961,43 4.239,44 5.12,45 5.385,46 4.053,47 4.301,48 5.98,49 4.174,50 5.005,51 5.255,52 3.963,53 4.227,54 5.815,55 4.105,56 0.06,57 0.98,58 14.508,59 5.963,60 11.113,61 8.283,62 0.279,63 1.627,64 27.205,65 10.203,66 26.037,67 14.337,68 0.266,69 1.953,70 36.405,71 13.458,72 29.402,73 19.39,74 0.381,75 1.992,76 39.161,77 14.284,78 40.901,79 20.604,80 0.341,81 1.958,82 37.294,83 13.517,84 36.729,85 19.528,86 0.316,87 1.966,88 36.938,89 13.556,90 35.272,91 19.726,92 0.506,93 1.959,94 38.673,95 13.263,96 51.409,97 19.756,98 0.279,99 1.732,100 33.973,101 12.393,102 30.802,103 17.927,104 2,105 55,106 0.222,107 0.561,108 0.736,109 0.829,110 0.843,111 0.843,112 3.561,113 0.95,114 -5.94,115 -5.79,116 -5.39,119 43.1,121 4,122 1,125 4,127 1,142 9,143 4,144 1,147 1,148 1,151 1,161 1,163 1,164 1,165 1,172 15,174 2,175 12,177 1,178 1,180 1,183 14,185 1,188 10,193 1,196 8,198 1,199 1,200 10,202 2,203 2,205 1,208 10,210 1,212 1,213 8,218 2,221 15,223 2,224 1,225 5,230 3,233 15,235 3,237 3,238 7,240 1,241 1,243 2,246 15,248 2,250 4,258 11,263 1,264 9,266 1,267 1,269 1,272 9,274 1,276 2358,277 23.739,278 23.739,279 23.739,280 23.739,281 23.739,282 21.158,283 25.129,284 14.176,285 24.21,286 19.353,287 19.353,288 19.353,289 19.353,290 19.353,291 15.478,292 25.865,293 6.834,294 20.132,295 4.612,296 2.468,297 1.354,298 0.769,299 0.677,300 0.677,301 4.28,306 1,307 1037,308 2.915,310 69.239,311 169.675,312 307.57,315 139.779,319 2.294,320 19.124,323 0.75,324 0.5,325 1,326 0.8,327 0.5,328 1,329 1,330 0.79,331 71.5,332 459,333 4.764,334 3.402,335 7.053,336 4.319,337 3.356,338 4.732,339 1.151,340 12.159,341 3.241,342 4.118,343 3.034,344 6.308,345 3.882,346 2.904,347 3.715,348 0.8,349 9.568,350 2.84,351 3.959,352 2.968,353 5.889,354 3.651,355 2.69,356 3.443,358 8.279,359 2.588,360 3.889,361 2.787,362 5.583,363 3.502,364 2.531,365 3.26,367 7.502,368 2.483,369 3.623,370 2.653,371 5.393,372 3.442,373 2.492,374 2.914,376 7.062,377 2.341,378 3.549,379 2.363,380 5.244,381 3.145,382 2.195,383 2.732,385 6.557,386 2.075,387 3.354,388 2.241,389 5.206,390 3.109,391 2.163,392 2.421,394 6.401,395 2.038,396 3.009,397 1.692,398 4.712,399 2.527,400 1.575,401 2.229,403 4.649,404 1.507,405 2.904,406 1.654,407 4.414,408 2.521,409 1.558,410 2.074,412 4.059,413 1.489,414 2.794,415 1.522,416 3.989,417 2.429,418 1.455,419 1.866,421 3.143,422 1.41,423 2.692,424 1.259,425 3.651,426 2.192,427 1.22,428 1.779,430 2.921,431 1.182,432 2.5,433 1.243,434 3.599,435 2.13,436 1.166,437 1.5,439 2.675,440 1.121,441 2.431,442 1,443 3.471,444 2,445 1,446 1.405,448 2.392,449 1,450 2.222,451 0.968,452 3.349,453 1.923,454 0.953,455 1.196,457 2.136,458 0.922,459 1.882,460 0.951,461 3.247,462 1.65,463 0.695,464 0.81,466 1.928,467 0.662,468 16.333,469 0.48,470 0.688,471 0.02,472 43.75,473 1.287,474 21,475 0.618,476 22.75,477 0.669,478 30.787,479 0.906,480 35.867,481 0.552,482 31.832,483 0.936,484 8.113,485 0.239,486 8.629,487 0.254,488 0.024,490 0.324,496 0.946,497 1.314,498 0.837,499 1.073,500 0.947,501 0.963,502 1.178,503 1.041,504 0.997,505 1,506 0.731,507 0.983,508 1.1,509 1.137,510 1.015,511 1.081,512 0.783,513 1.046,514 1.002,515 0.925,516 0.878,517 0.916,518 0.834,519 0.893,520 1.148,521 0.964,522 1.005,523 0.956,524 0.951,525 0.964,526 0.972,527 1.154,528 1.018,529 1.091,530 1.122,531 1.064,532 0.892,533 0.906,534 0.975,535 0.913,536 1.098,537 0.938,538 1.132,539 1.006,540 0.99,541 0.986,542 1.08,543 0.977,544 5.5,545 0.198,546 2.667,547 2.451,548 1.895,549 0.983,550 0.659,551 0.541,552 0.282,553 0.304,554 19003,555 38259,556 2.234,557 47.7,559 18,560 1,561 1,562 2,564 9,567 1.762,568 2.17,569 3.679,570 0.118,577 91.658,578 1.41,579 3.555,580 4.668,581 5.253,582 5.345,583 5.345,584 3.176,585 4.676,586 5.05,587 3.881,588 2177.22,589 8.871,590 33532,595 391.454,596 1.083,597 5.051,598 0.141,599 0.005,600 0.05,601 0.048,602 0.037,603 0.02,604 0.013,605 0.012,606 0.007,607 0.008,608 0.341,609 0.17,610 0.75,611 0.299,612 182.863,613 -0.004,614 -0.138,615 0.079,616 -0.026,617 0.013,618 0.026,619 0.002,620 0.076,621 -0.033,622 -0.004,623 0.135,624 -0.02,625 -0.059,626 -0.121,627 -0.039,628 -0.088,629 0.071,630 -0.065,631 0.082,632 0.051,633 0.117,634 0.067,635 0.154,636 0.089,637 -0.076,638 0.047,639 -0.02,640 0.027,641 0.022,642 0.013,643 0.016,644 -0.143,645 -0.042,646 -0.102,647 -0.027,648 -0.082,649 0.154,650 0.097,651 0.025,652 0.043,653 0.057,654 0.027,655 -0.074,656 -0.026,657 -0.002,658 0.002,659 -0.1,660 0.007,661 1.137,662 2.586,663 0.882,664 43.516,665 0.99,666 1.125,667 4.709,668 22.173,669 0.667,670 3.689,671 4.025,672 4.344,673 4.644,674 4.883,675 5.043,676 5.252,677 5.451,678 5.572,679 5.704,680 7.83,681 0.626,682 453.64,683 3.689,684 5.242,685 6.111,686 7.006,687 7.895,688 8.801,689 9.703,690 10.617,691 11.527,692 12.447,693 7.7,696 1,697 1,701 1,703 2,708 2,709 11,710 2,714 5,715 1,716 22,727 1,733 1,735 65,737 22,738 2,739 39,741 70,742 28,743 18,744 3,745 9,748 6,749 7,757 5,758 1,760 5,762 18,763 10,764 1,783 31,784 5,785 2,786 6,792 5,797 0.833,798 1,810 1,811 1,812 1,814 1,815 2,816 3,819 1,839 1,843 5,851 34,852 1,858 8,861 1,863 2,864 1,874 1.5,879 1,881 15.667,882 11.383,883 7.333,884 4.133,886 4.071,887 1.471,888 1.03,889 5.982,890 12.706,891 3.932,892 4.535,893 5.157,894 5.783,895 6.346,896 6.702,897 7.18,898 7.652,899 7.978,900 8.338,901 1,902 51,903 12.603,905 5.455,906 7.436,907 25.068,909 21.743,911 1.936,912 65.833,916 341.362,917 145.416,918 71.492,920 11,923 145.416,924 352.362,925 71.492,927 21.048,928 127.231,929 47.057,930 42.015,931 14.099,932 317.82,934 341.362,935 216.908,936 11,939 235.422,940 116.94,943 36.405,944 146.932,945 33.571,947 341.362,948 82.492,949 145.416,952 341.362,953 42.464,954 107.976,956 77.468,957 341.362,958 82.492,959 145.416,961 0.579,962 0.34,963 0.19,964 0.101,965 29,966 11,967 0.1,968 7,969 1,970 1.067,971 4.69,972 331.844,973 0.067,974 30,975 162.974,981 21.637,982 9.4,983 4.459,984 1.869,985 80.592,986 22.267,987 8.955,991 4.662,992 2.334,993 32.897,994 569.27,995 50,1007 64.323,1008 73.099,1009 0.234,1010 0.59,1011 0.775,1012 0.872,1013 0.888,1014 0.888,1015 5.179,1016 1.575,1017 6.084,1018 6.401,1019 4.71,1020 5.223,1021 1.528,1022 6.911,1023 4.634,1024 6.365,1025 1.558,1026 7.64,1027 4.649,1028 4.205,1029 4.945,1030 0.325,1031 7.813,1032 4.089,1033 7.668,1034 1.455,1035 9.298,1036 4.059,1037 6.319,1038 7.426,1039 1.603,1040 10.99,1041 6.175,1042 9.009,1043 1.22,1044 11.021,1045 3.143,1046 6.698,1047 8.076,1048 0.268,1049 12.808,1050 6.516,1051 10.387,1052 1.166,1053 12.789,1054 2.921,1055 8.224,1056 9.992,1057 1.778,1058 15.493,1059 8.017,1060 11.794,1061 1,1062 14.589,1063 2.675,1064 9.021,1065 11.105,1066 0.188,1067 17.703,1068 8.778,1069 13.225,1070 0.953,1071 16.414,1072 2.392,1073 10.317,1074 12.793,1075 1.991,1076 20.242,1077 10.048,1078 3.356,1079 0.695,1080 18.258,1081 2.136,1082 11.318,1083 14.138,1084 0.125,1085 22.618,1086 11.013,1087 2.904,1088 12.159,1089 20.118,1090 1.928,1091 12.53,1092 15.736,1093 2.225,1094 25.116,1095 12.196,1096 2.69,1097 9.568,1098 21.992,1099 4.732,1100 13.63,1101 17.192,1102 0.082,1103 27.561,1104 13.26,1105 2.531,1106 8.279,1107 23.877,1108 3.715,1109 14.817,1110 18.756,1111 2.473,1112 30.051,1113 14.416,1114 2.492,1115 7.502,1116 25.772,1117 3.443,1118 15.965,1119 20.265,1120 0.054,1121 32.524,1122 15.529,1123 2.195,1124 7.062,1125 27.675,1126 3.26,1127 17.149,1128 21.819,1129 2.73,1130 35.015,1131 16.68,1132 2.163,1133 6.557,1134 29.585,1135 2.914,1136 18.322,1137 23.351,1138 0.035,1139 37.501,1140 17.817,1141 17188,1142 24601,1143 27.334,1144 43.381,1145 58.673,1146 58.598,1147 58.84,1148 58.422,1149 58.337,1150 74.809,1151 3.902,1152 168.403,1153 56.071,1154 5.764,1155 5.402,1156 6.855,1157 5.394,1158 5.356,1159 7.732,1160 2.302,1161 19.704,1162 5.241,1163 7.609,1164 1.504,1165 1.503,1166 1.509,1167 1.498,1168 1.496,1169 1.918,1170 0.1,1171 4.318,1172 1.438,1173 4.174,1174 4.215,1175 4.143,1176 4.061,1177 5.235,1178 4.075,1179 3.923,1180 3.966,1181 3.853,1182 3.848,1183 4.886,1184 3.844,1185 3.907,1186 3.949,1187 3.804,1188 3.804,1189 4.788,1190 3.798,1191 3.816,1192 3.854,1193 3.743,1194 3.705,1195 4.709,1196 3.711,1197 3.73,1198 3.788,1199 3.604,1200 3.598,1201 4.435,1202 3.59,1203 3.324,1204 3.399,1205 3.246,1206 3.11,1207 4.344,1208 3.136,1209 3.217,1210 3.266,1211 3.091,1212 3.03,1213 4.249,1214 3.035,1215 3.049,1216 3.133,1217 2.928,1218 2.868,1219 4.068,1220 2.867,1221 0.122,1222 0.087,1223 0.181,1224 0.111,1225 0.086,1226 4.764,1227 0.121,1228 3.402,1229 0.03,1230 7.053,1231 0.312,1232 4.319,1233 0.083,1234 3.356,1235 4.732,1236 1.151,1237 12.159,1238 3.241,1239 1.949,1240 1.926,1241 2.118,1242 2.108,1243 1.55,1244 2.111,1245 1.944,1246 1.898,1247 2.046,1248 2.035,1249 1.211,1250 2.036,1251 1.893,1252 1.866,1253 2.002,1254 1.977,1255 1.16,1256 1.986,1257 1.729,1258 1.688,1259 1.86,1260 1.897,1261 1.118,1262 1.883,1263 1.577,1264 1.507,1265 1.806,1266 1.751,1267 1.034,1268 1.793,1269 1.486,1270 1.413,1271 1.709,1272 1.724,1273 0.863,1274 1.725,1275 1.327,1276 1.268,1277 1.498,1278 1.523,1279 0.681,1280 1.521,1281 1.179,1282 1.129,1283 1.44,1284 1.407,1285 0.603,1286 1.417,1287 4.369,1289 5.727,1290 3.045,1291 7.269,1292 5.352,1293 8.897,1294 7.445,1295 10.573,1301 6.374,1303 9.415,1306 6.086,1308 1.244,1309 2.626,1314 40.67,1315 91.658,1316 231.057,1317 303.415,1318 341.454,1319 347.454,1320 347.454,1321 44.525,1322 8.636,1323 69.2,1324 69.2,1325 32,1326 12.958,1327 4.524,1328 3.585,1329 45.095,1330 153,1331 174,1332 0.138,1333 243.689,1334 412.59,1335 586.362,1336 78544,1338 22.907,1339 0.674,1340 0.572,1341 22.907,1342 19.437,1343 16.742,1344 0.429,1345 0.317,1346 12.217,1347 16.25,1348 11.979,1349 9.873,1350 16.742,1351 12.349,1352 15.071,1353 0.274,1354 0.177,1355 15.071,1356 9.709,1357 13.093,1358 0.172,1359 0.097,1360 13.093,1361 7.351,1362 11.227,1363 0.109,1364 0.052,1365 11.227,1366 5.34,1367 8.963,1368 0.068,1369 0.027,1370 8.963,1371 3.535,1372 0.218,1373 103.709,1374 0.191,1375 31.698,1376 0.374,1377 188,1378 433.628,1379 201.007,1380 428.067,1381 608.67,1382 406,1383 225,1384 466.863,1385 239.479,1386 476.739,1387 703.39,1388 450,1389 5.7}
{0 CHEMBL1988387,1 1.842,2 16.139,3 4.519,4 20.42,5 135.961,6 9.046,7 0.675,8 4.166,9 4.272,10 3.917,11 3.737,12 5.405,13 3.737,14 4.655,15 4.789,16 4.312,17 4.128,18 6.114,19 4.108,20 4.798,21 4.954,22 4.298,23 4.249,24 5.964,25 4.196,26 4.901,27 5.074,28 4.396,29 4.286,30 6.126,31 4.218,32 4.949,33 5.147,34 4.307,35 4.219,36 6.209,37 4.148,38 4.787,39 4.979,40 4.097,41 4.069,42 5.998,43 4.013,44 4.706,45 4.914,46 3.981,47 4.005,48 5.893,49 3.923,50 4.694,51 4.908,52 3.88,53 3.946,54 5.809,55 3.859,56 0.194,57 1.016,58 8.063,59 4.781,60 19.119,61 4.884,62 0.895,63 1.679,64 17.929,65 8.22,66 90.083,67 8.473,68 0.487,69 1.7,70 19.626,71 9.549,72 43.51,73 10.293,74 0.491,75 1.919,76 26.114,77 11.601,78 32.994,79 13.12,80 0.826,81 2,82 36.424,83 12.616,84 83.997,85 13.398,86 0.653,87 1.659,88 25.136,89 9.794,90 80.711,91 10.572,92 0.67,93 1.488,94 24.311,95 8.91,96 54.696,97 10.987,98 0.493,99 1.427,100 22.619,101 9.519,102 48.136,103 11.629,104 28,105 57,106 0.296,107 0.649,108 0.782,109 0.834,110 0.851,111 0.857,112 3.615,113 0.872,114 -4.35,115 -4.29,116 -4.05,119 44.6,124 1,129 1,142 8,143 5,144 3,145 2,147 1,151 2,152 1,159 1,163 1,164 1,165 1,166 1,172 9,175 6,177 1,178 3,179 1,180 5,183 13,185 1,188 6,193 5,196 12,198 1,200 6,205 8,208 6,210 3,212 2,213 10,216 1,218 8,221 5,223 3,225 5,230 4,233 8,235 2,237 1,238 3,240 2,241 3,243 2,246 10,250 5,253 1,254 1,255 2,257 1,258 6,264 7,269 2,272 4,276 2518,277 24.187,278 24.187,279 24.187,280 24.187,281 24.187,282 20.87,283 23.089,284 14.119,285 24.982,286 19.769,287 19.769,288 19.769,289 19.769,290 19.769,291 14.759,292 28.448,293 6.75,294 21.073,295 3.965,296 1.768,297 0.942,298 0.621,299 0.513,300 0.478,301 4.319,306 1,307 1274,308 3.808,311 183.778,312 363.509,315 164.949,319 2.48,320 40.039,323 0.75,324 0.83,325 0.83,326 0.3,328 0.83,329 1,330 0.65,331 80,332 581,333 4.748,334 3.563,335 7.013,336 4.283,337 3.316,338 4.726,339 2.621,340 11.979,341 3.206,342 4.242,343 3.489,344 6.35,345 3.856,346 2.87,347 3.88,348 1.656,349 9.649,350 2.83,351 4.086,352 3.327,353 5.775,354 3.697,355 2.739,356 3.661,357 0.302,358 7.876,359 2.626,360 4.012,361 2.88,362 5.606,363 3.579,364 2.621,365 3.622,366 0.247,367 7.671,368 2.52,369 3.775,370 2.711,371 5.445,372 3.4,373 2.458,374 3.158,376 7.236,377 2.324,378 3.61,379 2.625,380 5.257,381 3.222,382 2.295,383 2.95,385 6.676,386 2.131,387 3.518,388 2.377,389 5.222,390 3.101,391 2.16,392 2.86,394 6.316,395 2.029,396 3.337,397 2.295,398 4.824,399 2.891,400 1.973,401 2.605,403 5.194,404 1.818,405 3.195,406 2.239,407 4.651,408 2.722,409 1.83,410 2.401,412 4.976,413 1.629,414 2.962,415 1.878,416 4.415,417 2.614,418 1.705,419 1.999,421 4.433,422 1.447,423 2.798,424 1.413,425 4.364,426 2.327,427 1.356,428 1.919,430 3.93,431 1.311,432 2.554,433 1.094,434 3.98,435 2.012,436 1.068,437 1.578,439 2.892,440 1,441 2.5,442 1,443 3.584,444 2,445 1,446 1.5,448 2.275,449 1,450 2.5,451 1,452 3.414,453 2,454 1,455 1.5,457 2.275,458 0.999,459 2.261,460 0.856,461 3.414,462 1.673,463 0.806,464 1.155,466 2.059,467 0.686,468 16.971,469 0.471,470 0.976,471 0.027,472 51.25,473 1.424,474 27.5,475 0.764,476 23.75,477 0.66,478 27.447,479 0.762,480 37.629,481 0.672,482 42.583,483 1.183,484 10.329,485 0.287,486 7.039,487 0.196,488 0.106,490 0.377,493 2,496 0.699,497 0.958,498 0.665,499 0.85,500 0.638,501 0.784,502 0.587,503 0.73,504 0.834,505 0.785,506 0.524,507 0.803,508 0.745,509 0.807,510 0.92,511 0.906,512 0.593,513 1.001,514 0.663,515 1.057,516 0.95,517 1.178,518 0.581,519 1.108,520 0.998,521 1.003,522 1.335,523 1.2,524 1.082,525 1.042,526 1.047,527 1.012,528 1.111,529 1.023,530 1.094,531 1.07,532 0.408,533 0.673,534 1.046,535 1.037,536 0.434,537 1.1,538 0.666,539 0.911,540 0.91,541 1.081,542 0.676,543 1.178,544 8,545 0.166,546 3.778,547 2.5,548 2.144,549 1.341,550 0.94,551 0.485,552 0.35,553 0.318,554 22688,555 78456,556 2.103,557 35.7,559 11,560 2,561 3,562 4,567 1.768,568 1.964,569 3.925,570 1.55,577 103.167,578 1.842,579 4.039,580 4.865,581 5.187,582 5.294,583 5.33,584 3.413,585 4.816,586 5.136,587 4.131,588 2602.4,589 8.996,590 43709.8,595 325.212,596 1.426,597 5.099,598 0.2,599 0.006,600 0.066,601 0.045,602 0.038,603 0.026,604 0.021,605 0.012,606 0.01,607 0.009,608 0.432,610 0.75,611 0.826,612 200.722,613 -0.069,614 -0.003,615 0.031,616 0.057,617 -0.12,618 0.055,619 0.308,620 0.304,621 0.016,622 0.181,623 0.252,624 0.074,625 -0.13,626 0.014,627 -0.099,628 0.032,629 -0.079,630 -0.067,631 -0.013,632 -0.212,633 0.052,634 -0.132,635 0.039,636 -0.1,637 -0.091,638 -0.05,639 -0.119,640 -0.067,641 -0.072,642 -0.014,643 -0.183,644 -0.099,645 -0.16,646 -0.057,647 -0.168,648 -0.092,649 0.184,650 0.117,651 -0.095,652 -0.077,653 0.07,654 -0.089,655 0.019,656 -0.107,657 -0.02,658 -0.145,659 -0.014,660 -0.125,661 4.238,662 5.348,663 0.722,664 48.108,665 1.026,666 1.131,667 3.124,668 9.761,669 0.706,670 3.714,671 4.06,672 4.331,673 4.644,674 4.852,675 4.97,676 5.153,677 5.308,678 5.394,679 5.455,680 9.166,681 0.692,682 506.58,683 3.714,684 5.273,685 6.129,686 7.022,687 7.898,688 8.796,689 9.683,690 10.585,691 11.48,692 12.385,693 10.7,697 1,700 2,701 1,703 2,708 2,709 12,710 2,713 1,714 8,715 1,716 27,727 1,733 1,735 56,737 28,738 2,739 40,741 60,742 25,743 22,744 4,745 8,748 5,749 6,753 1,762 23,763 2,767 1,772 1,776 1,781 2,783 20,784 9,785 4,786 11,787 1,792 6,797 0.8,798 2,807 1,809 1,815 2,816 3,819 1,843 4,845 1,847 1,849 2,851 36,852 1,860 2,861 1,863 1,869 1,873 2,874 3.6,877 1,879 1,881 18.333,882 10.302,883 7.75,884 2.974,886 5.064,887 1.589,888 1.036,889 6.853,890 13.657,891 4.016,892 4.668,893 5.288,894 5.953,895 6.485,896 6.88,897 7.384,898 7.875,899 8.238,900 8.619,901 0.909,902 56,903 13.326,905 5.799,906 8.028,907 24.564,909 20.068,911 2.528,912 91,916 188.338,917 193.87,918 104.144,920 36.145,921 29.92,922 31.278,923 162.592,924 224.482,925 134.064,926 8.396,927 36.022,928 125.404,929 93.907,930 86.864,931 30.892,932 160.76,933 10.173,934 188.338,935 266.736,936 66.065,937 31.278,939 188.338,940 66.065,943 66.066,944 167.222,945 33.449,946 31.278,947 218.258,948 140.289,949 193.87,952 198.51,953 64.699,954 120.774,955 36.022,956 132.411,957 188.338,958 170.209,959 193.87,961 0.587,962 0.332,963 0.187,964 0.101,965 28,966 13,967 0.083,968 5,969 1,970 1.077,971 4.738,972 343.246,973 0.077,974 26,975 176.117,977 1,981 24.162,982 10.21,983 5.351,984 1.899,985 168.432,986 20.53,987 8.655,990 1.587,991 5.277,992 1.741,993 68.919,994 552.416,995 54.5,1000 12.348,1004 -0.471,1007 57.436,1008 63.33,1009 0.317,1010 0.696,1011 0.838,1012 0.893,1013 0.912,1014 0.918,1015 5.256,1016 1.973,1017 6.125,1018 6.316,1019 4.745,1020 5.357,1021 2.835,1022 6.946,1023 4.64,1024 6.485,1025 1.83,1026 7.687,1027 5.194,1028 4.369,1029 5.198,1030 2.713,1031 7.863,1032 4.23,1033 7.801,1034 1.705,1035 9.345,1036 4.976,1037 6.347,1038 7.609,1039 4.213,1040 10.983,1041 6.172,1042 9.154,1043 1.356,1044 11.063,1045 4.433,1046 6.77,1047 8.297,1048 4.79,1049 12.78,1050 6.571,1051 10.538,1052 1.068,1053 12.821,1054 3.93,1055 8.231,1056 10.175,1057 5.912,1058 15.443,1059 8.003,1060 11.946,1061 1,1062 14.609,1063 2.892,1064 9.031,1065 11.283,1066 6.745,1067 17.63,1068 8.78,1069 13.374,1070 1,1071 16.423,1072 2.275,1073 10.293,1074 12.945,1075 7.754,1076 20.152,1077 10.016,1078 3.316,1079 0.806,1080 18.256,1081 2.275,1082 11.282,1083 14.271,1084 8.675,1085 22.507,1086 10.978,1087 2.87,1088 11.979,1089 20.106,1090 2.059,1091 12.471,1092 15.847,1093 9.651,1094 24.99,1095 12.14,1096 2.739,1097 9.649,1098 21.97,1099 4.726,1100 13.553,1101 17.284,1102 10.6,1103 27.415,1104 13.193,1105 2.621,1106 7.876,1107 23.846,1108 3.88,1109 14.722,1110 18.83,1111 11.567,1112 29.89,1113 14.333,1114 2.458,1115 7.671,1116 25.733,1117 3.661,1118 15.852,1119 20.323,1120 12.526,1121 32.345,1122 15.432,1123 2.295,1124 7.236,1125 27.628,1126 3.622,1127 17.019,1128 21.863,1129 13.49,1130 34.82,1131 16.568,1132 2.16,1133 6.676,1134 29.531,1135 3.158,1136 18.175,1137 23.383,1138 14.452,1139 37.288,1140 17.691,1141 21258,1142 39748,1143 26.759,1144 39.557,1145 61.086,1146 61.576,1147 62.254,1148 60.264,1149 60.23,1150 81.562,1151 9.651,1152 175.404,1153 56.749,1154 5.617,1155 5.563,1156 6.427,1157 5.396,1158 5.316,1159 7.726,1160 4.131,1161 19.547,1162 5.206,1163 19.025,1164 1.527,1165 1.539,1166 1.556,1167 1.507,1168 1.506,1169 2.039,1170 0.241,1171 4.385,1172 1.419,1173 4.139,1174 4.156,1175 4.346,1176 4.136,1177 8.365,1178 4.098,1179 3.932,1180 3.969,1181 3.886,1182 3.835,1183 7.999,1184 3.838,1185 3.897,1186 3.936,1187 3.86,1188 3.801,1189 7.431,1190 3.803,1191 3.791,1192 3.834,1193 3.792,1194 3.655,1195 5.191,1196 3.66,1197 3.461,1198 3.499,1199 3.438,1200 3.2,1201 4.948,1202 3.231,1203 3.331,1204 3.377,1205 3.423,1206 3.114,1207 4.824,1208 3.127,1209 3.249,1210 3.293,1211 3.278,1212 2.95,1213 4.765,1214 2.991,1215 3.131,1216 3.224,1217 3.034,1218 2.913,1219 4.566,1220 2.926,1221 0.119,1222 0.089,1223 0.175,1224 0.107,1225 0.083,1226 4.748,1227 0.118,1228 3.563,1229 0.066,1230 7.013,1231 0.299,1232 4.283,1233 0.08,1234 3.316,1235 4.726,1236 2.621,1237 11.979,1238 3.206,1239 1.966,1240 1.947,1241 2.037,1242 2.047,1243 1.19,1244 2.044,1245 1.882,1246 1.858,1247 1.982,1248 1.997,1249 1.067,1250 1.991,1251 1.844,1252 1.825,1253 1.893,1254 1.93,1255 1.054,1256 1.932,1257 1.508,1258 1.458,1259 1.722,1260 1.8,1261 0.777,1262 1.776,1263 1.428,1264 1.368,1265 1.531,1266 1.632,1267 0.667,1268 1.592,1269 1.284,1270 1.241,1271 1.4,1272 1.541,1273 0.481,1274 1.515,1275 1.21,1276 1.187,1277 1.29,1278 1.476,1279 0.321,1280 1.414,1281 1.058,1282 1.021,1283 1.213,1284 1.3,1285 0.218,1286 1.334,1287 4.394,1289 5.733,1290 3.045,1291 7.249,1292 5.352,1293 8.852,1294 7.424,1295 10.506,1297 1.864,1299 24.527,1301 6.258,1305 5.391,1306 4.299,1308 -2.905,1314 38.726,1315 103.167,1316 226.192,1317 272.457,1318 290.457,1319 296.457,1320 298.457,1321 61.895,1322 8.592,1323 107.09,1324 135.33,1325 28,1326 12.906,1327 4.858,1328 3.954,1329 54.965,1330 200,1331 212,1332 0.133,1333 237.841,1334 404.67,1335 572.093,1336 78199,1337 3.6,1338 25.233,1339 0.701,1340 0.548,1341 24.01,1342 19.722,1343 17.368,1344 0.434,1345 0.291,1346 10.622,1347 16.086,1348 10.34,1349 8.556,1350 16.966,1351 11.631,1352 16.253,1353 0.285,1354 0.154,1355 15.556,1356 8.752,1357 13.065,1358 0.174,1359 0.086,1360 13.541,1361 6.445,1362 11.524,1363 0.112,1364 0.048,1365 11.998,1366 4.912,1367 9.105,1368 0.072,1369 0.026,1370 9.6,1371 3.259,1372 0.217,1373 114.587,1374 0.193,1375 33.685,1376 0.343,1377 194,1378 715.467,1379 242.363,1380 659.619,1381 885.76,1382 616,1383 229,1384 623.327,1385 270.955,1386 639.225,1387 940.68,1388 597,1389 7.1}
{0 CHEMBL1988437,1 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 9,238 6,243 4,246 8,249 1,250 3,253 1,255 3,258 6,264 1,267 1,268 1,269 1,272 7,276 1178,277 19.438,278 19.438,279 19.438,280 19.438,281 19.438,282 16.609,283 7.851,284 11.647,285 19.808,286 15.264,287 15.264,288 15.264,289 15.264,290 15.264,291 10.964,292 5.913,293 5.468,294 15.815,295 3.938,296 2.002,297 1.016,298 0.25,299 0.103,300 0.103,301 4.076,305 1,306 1,307 746,308 3.24,311 63.273,312 256.996,315 111.673,319 2.265,320 17.309,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 59,332 344,333 4.558,334 4.574,335 6.542,336 4.073,337 3.099,338 4.514,339 2.95,340 10.339,341 3.022,342 4.339,343 3.57,344 6.453,345 3.958,346 2.983,347 3.946,348 1.058,349 9.959,350 2.909,351 3.95,352 3.158,353 5.473,354 3.497,355 2.529,356 3.516,358 7.261,359 2.446,360 3.75,361 2.951,362 5.34,363 3.322,364 2.391,365 3.191,367 6.948,368 2.203,369 3.413,370 2.514,371 5.075,372 2.987,373 2.009,374 2.665,376 5.806,377 1.949,378 3.249,379 1.95,380 4.823,381 2.759,382 1.796,383 2.538,385 5.113,386 1.717,387 3.003,388 1.832,389 4.209,390 2.495,391 1.508,392 2.214,394 3.78,395 1.488,396 2.901,397 1.509,398 3.877,399 2.422,400 1.451,401 2.071,403 3.193,404 1.397,405 2.805,406 1.441,407 3.634,408 2.324,409 1.348,410 1.936,412 3.112,413 1.309,414 2.578,415 1.318,416 3.574,417 2.115,418 1.127,419 1.571,421 2.6,422 1.109,423 2.5,424 1.087,425 3.271,426 1.959,427 1,428 1.5,430 2.136,431 0.956,432 2.379,433 1,434 3.247,435 1.761,436 0.775,437 1.189,439 1.809,440 0.763,441 2.025,442 0.825,443 3.073,444 1.439,445 0.47,446 0.712,448 1.123,449 0.452,450 1.491,451 0.772,452 2.904,453 1.222,454 0.264,455 0.308,457 0.431,458 0.248,459 1.36,460 0.554,461 2.467,462 0.925,468 13.767,469 0.492,470 0.516,471 0.018,472 40.75,473 1.455,474 23.5,475 0.839,476 17.25,477 0.616,478 19.057,479 0.681,480 27.633,481 0.601,482 29.3,483 1.046,484 8.308,485 0.297,486 5.433,487 0.194,488 0.061,490 0.291,496 0.701,497 0.947,498 0.711,499 0.794,500 0.605,501 0.785,502 0.78,503 1.016,504 0.846,505 0.875,506 0.654,507 0.878,508 0.986,509 1.052,510 1.185,511 1.11,512 0.91,513 0.971,514 1.434,515 1.148,516 1.327,517 1.247,518 1.576,519 1.084,520 0.966,521 1.005,522 1.076,523 1.072,524 1.032,525 1.033,526 0.836,527 1.124,528 1.134,529 1.167,530 0.77,531 1.067,532 1.14,533 1.06,534 0.859,535 0.893,536 1.043,537 0.942,538 1.026,539 0.963,540 0.953,541 0.92,542 0.935,543 1.012,544 4.5,545 0.082,546 2.889,547 1.667,548 1.067,549 0.761,550 0.515,551 0.327,552 0.271,553 0.158,554 10784,555 29751,556 2.137,557 39.1,559 15,561 1,562 2,567 1.707,568 2.049,569 3.561,570 0.212,572 1,577 72.918,578 1.585,579 3.522,580 4.508,581 5.273,582 5.42,583 5.42,584 3.067,585 4.084,586 4.775,587 3.752,588 1418.13,589 8.285,590 19263.3,592 1,594 1,595 254.084,596 1.198,597 4.76,598 0.145,599 0.005,600 0.069,601 0.04,602 0.029,603 0.022,604 0.015,605 0.01,606 0.01,607 0.008,608 0.352,609 0.17,610 1,611 0.787,612 142.529,613 0.024,614 0.09,615 0.053,616 0.077,617 -0.061,618 0.052,619 0.034,620 0.019,621 0.048,622 0.062,623 0.008,624 0.006,625 -0.072,626 -0.044,627 -0.017,628 -0.004,629 0.01,630 0.003,631 -0.161,632 -0.116,633 -0.125,634 -0.148,635 -0.173,636 -0.136,637 -0.034,638 -0.029,639 -0.055,640 -0.057,641 -0.078,642 -0.058,643 0.015,644 -0.151,645 -0.111,646 -0.154,647 0.034,648 -0.077,649 -0.097,650 -0.08,651 0.008,652 0.003,653 -0.037,654 0.023,655 0.023,656 0.044,657 -0.067,658 -0.022,659 0.002,660 -0.055,661 1.758,662 5.075,663 0.75,664 31.077,665 1,666 1.109,667 3.15,668 9.92,669 0.727,670 3.466,671 3.761,672 4.043,673 4.29,674 4.477,675 4.511,676 4.663,677 4.82,678 4.92,679 5.043,680 7.218,681 0.689,682 386.51,683 3.466,684 4.99,685 5.838,686 6.703,687 7.566,688 8.438,689 9.307,690 10.184,691 11.057,692 11.936,693 8.7,700 1,701 1,703 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 4,797 0.75,798 1,807 1,809 1,815 1,816 3,819 1,834 2,843 3,844 1,845 1,847 1,851 28,860 1,862 1,874 2.2,877 1,881 13.667,882 8.567,883 6.278,884 2.606,886 4.876,887 1.631,888 1.026,889 5.448,890 12.607,891 3.807,892 4.422,893 5.057,894 5.659,895 6.184,896 6.473,897 6.95,898 7.425,899 7.784,900 8.249,901 1,902 42,903 10.281,905 4.312,906 7.685,907 19.632,909 15.861,911 2.185,912 61.167,915 1,916 188.338,917 184.601,918 68.122,920 25.145,922 32.22,923 152.381,924 213.483,925 68.122,926 8.396,927 18.011,928 113.715,929 75.069,930 39.471,931 2.757,932 208.786,934 188.338,935 220.503,936 25.145,937 32.22,939 188.338,940 25.145,943 48.622,944 119.48,945 52.401,946 32.22,947 188.338,948 93.267,949 184.601,952 188.338,953 53.442,954 131.159,955 34.674,956 58.593,957 188.338,958 93.267,959 184.601,961 0.57,962 0.34,963 0.184,964 0.096,965 20,966 8,967 0.102,968 5,969 1,970 1.095,971 4.104,972 238.128,973 0.095,974 21,975 132.606,977 1,981 18.33,982 8.322,983 4.128,984 1.916,985 76.604,986 21.257,987 8.709,988 3.076,991 4.421,993 34.674,994 466.205,995 44,1000 12.075,1002 3.931,1004 -0.092,1007 45.996,1008 51.029,1009 0.287,1010 0.638,1011 0.816,1012 0.955,1013 0.981,1014 0.981,1015 5.007,1016 1.451,1017 5.796,1018 3.78,1019 4.443,1020 5.109,1021 3.027,1022 6.581,1023 4.374,1024 6.215,1025 1.348,1026 7.334,1027 3.193,1028 3.892,1029 4.796,1031 7.434,1032 3.786,1033 7.513,1034 1.127,1035 8.974,1036 3.112,1037 6.004,1038 7.347,1039 5.043,1040 10.536,1041 5.873,1042 8.853,1043 1,1044 10.677,1045 2.6,1046 6.33,1047 7.933,1049 12.263,1050 6.166,1051 10.226,1052 0.775,1053 12.422,1054 2.136,1055 7.856,1056 9.887,1057 7.187,1058 14.856,1059 7.673,1060 11.624,1061 0.47,1062 14.196,1063 1.809,1064 8.595,1065 10.918,1067 16.934,1068 8.384,1069 13.042,1070 0.264,1071 15.991,1072 1.123,1073 9.877,1074 12.61,1075 9.348,1076 19.354,1077 9.647,1078 3.099,1080 17.802,1081 0.431,1082 10.814,1083 13.87,1085 21.575,1086 10.559,1087 2.983,1088 10.339,1089 19.625,1091 11.993,1092 15.445,1093 11.511,1094 23.933,1095 11.719,1096 2.529,1097 9.959,1098 21.458,1099 4.514,1100 13.024,1101 16.821,1103 26.212,1104 12.725,1105 2.391,1106 7.261,1107 23.298,1108 3.946,1109 14.161,1110 18.345,1111 13.675,1112 28.547,1113 13.841,1114 2.009,1115 6.948,1116 25.144,1117 3.516,1118 15.236,1119 19.78,1121 30.851,1122 14.892,1123 1.796,1124 5.806,1125 26.995,1126 3.191,1127 16.357,1128 21.285,1129 15.838,1130 33.179,1131 15.992,1132 1.508,1133 5.113,1134 28.85,1135 2.665,1136 17.453,1137 22.75,1139 35.493,1140 17.063,1141 10198,1142 17078,1143 21.266,1144 33.455,1145 46.139,1146 49.301,1147 47.116,1148 45.573,1149 45.498,1150 63.743,1151 8.017,1152 127.22,1153 43.936,1154 5.353,1155 6.574,1156 6.344,1157 5.207,1158 5.099,1159 7.514,1160 5.9,1161 17.118,1162 5.022,1163 10.021,1164 1.488,1165 1.59,1166 1.52,1167 1.47,1168 1.468,1169 2.056,1170 0.259,1171 4.104,1172 1.417,1173 4.114,1174 4.149,1175 4.161,1176 4.04,1177 7.429,1178 4.035,1179 3.914,1180 3.935,1181 3.946,1182 3.861,1183 5.09,1184 3.851,1185 3.863,1186 3.903,1187 3.805,1188 3.767,1189 4.896,1190 3.77,1191 3.473,1192 3.541,1193 3.551,1194 3.386,1195 4.699,1196 3.366,1197 3.449,1198 3.502,1199 3.342,1200 3.201,1201 4.362,1202 3.226,1203 3.18,1204 3.244,1205 3.169,1206 3.071,1207 4.18,1208 3.044,1209 2.988,1210 3.043,1211 2.982,1212 2.85,1213 4.151,1214 2.82,1215 2.919,1216 2.964,1217 2.789,1218 2.789,1219 3.826,1220 2.775,1221 0.147,1222 0.148,1223 0.211,1224 0.131,1225 0.1,1226 4.558,1227 0.146,1228 4.574,1229 0.095,1230 6.542,1231 0.334,1232 4.073,1233 0.097,1234 3.099,1235 4.514,1236 2.95,1237 10.339,1238 3.022,1239 1.957,1240 1.944,1241 2.015,1242 2.012,1243 1.18,1244 2.024,1245 1.883,1246 1.86,1247 1.98,1248 1.978,1249 1.081,1250 1.983,1251 1.831,1252 1.798,1253 1.936,1254 1.928,1255 0.976,1256 1.933,1257 1.509,1258 1.46,1259 1.681,1260 1.735,1261 0.691,1262 1.705,1263 1.385,1264 1.307,1265 1.646,1266 1.679,1267 0.679,1268 1.683,1269 1.107,1270 1.035,1271 1.297,1272 1.345,1273 0.324,1274 1.347,1275 0.986,1276 0.963,1277 1.196,1278 1.196,1279 0.241,1280 1.196,1281 0.95,1282 0.898,1283 1.109,1284 1.042,1285 0.222,1286 1.089,1287 4.143,1289 5.442,1290 2.398,1291 6.942,1292 4.727,1293 8.53,1294 6.823,1295 10.163,1297 1.638,1305 2.686,1307 1.55,1314 31.675,1315 72.918,1316 162.004,1317 207.355,1318 242.574,1319 249.329,1320 249.329,1321 38.591,1322 7.731,1323 70.67,1324 95.97,1325 23,1326 12.474,1327 4.644,1328 3.807,1329 42.629,1330 124,1331 118,1332 0.172,1333 199.404,1334 335.74,1335 478.306,1336 26432,1338 19.347,1339 0.691,1340 0.573,1341 19.7,1342 16.033,1343 13.742,1344 0.443,1345 0.31,1346 8.792,1347 12.917,1348 8.494,1349 7.093,1350 14.15,1351 9.623,1352 11.851,1353 0.282,1354 0.171,1355 12.52,1356 7.197,1357 10.313,1358 0.184,1359 0.095,1360 11.07,1361 5.317,1362 8.487,1363 0.118,1364 0.053,1365 9.367,1366 3.829,1367 6.761,1368 0.078,1369 0.031,1370 7.657,1371 2.697,1372 0.274,1373 89.029,1374 0.217,1375 27.141,1376 0.457,1377 146,1378 406.552,1379 180.387,1380 425.706,1381 591.47,1382 400,1383 171,1384 426.704,1385 201.784,1386 452.166,1387 657.62,1388 427,1389 6.4}
{0 CHEMBL1988537,1 1.753,2 8.84,3 4.183,4 17.497,5 99.724,6 9.707,7 0.643,8 3.771,9 3.845,10 3.617,11 3.465,12 4.971,13 3.428,14 4.249,15 4.354,16 4.032,17 3.858,18 5.423,19 3.803,20 4.452,21 4.567,22 4.283,23 4.02,24 5.661,25 3.943,26 4.489,27 4.615,28 4.127,29 3.968,30 5.741,31 3.903,32 4.491,33 4.636,34 4.068,35 3.946,36 5.778,37 3.888,38 4.445,39 4.589,40 4.03,41 3.922,42 5.757,43 3.834,44 4.383,45 4.559,46 3.769,47 3.792,48 5.499,49 3.654,50 4.197,51 4.408,52 3.371,53 3.439,54 5.241,55 3.288,56 0.048,57 0.476,58 4.201,59 3.048,60 4.532,61 3.307,62 0.215,63 0.801,64 9.796,65 5.375,66 14.918,67 5.443,68 0.278,69 1.001,70 19.564,71 7.419,72 20.176,73 7.305,74 0.31,75 1.043,76 18.975,77 7.864,78 26.643,79 7.426,80 0.345,81 0.991,82 18.134,83 7.603,84 41.738,85 7.971,86 0.405,87 0.913,88 15.817,89 7.185,90 45.985,91 8.302,92 0.246,93 0.913,94 19.065,95 7.541,96 29.485,97 8.344,98 0.309,99 0.761,100 20.852,101 6.759,102 35.021,103 7.2,104 11,105 40,106 0.309,107 0.61,108 0.755,109 0.857,110 0.866,111 0.866,112 3.269,113 0.94,114 -4.06,115 -4.01,116 -3.79,119 50,124 1,142 8,143 1,144 6,145 2,158 1,172 7,174 1,175 5,183 7,187 1,188 10,196 6,200 9,208 2,212 1,213 5,221 6,224 2,225 6,233 12,238 3,246 11,250 1,258 4,263 1,264 3,276 918,277 17.215,278 17.215,279 17.215,280 17.215,281 17.215,282 14.917,283 16.56,284 10.009,285 17.797,286 13.738,287 13.738,288 13.738,289 13.738,290 13.738,291 10.264,292 18.34,293 4.637,294 14.696,295 3.495,296 1.789,297 0.967,298 0.388,299 0.336,300 0.336,301 3.967,302 1,305 1,306 1,307 485,308 2.828,312 210.531,316 165.088,319 1.312,320 22.577,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 53.333,332 221,333 4.608,334 4.632,335 7.057,336 4.273,337 3.337,338 4.199,339 2.95,340 12.143,341 3.129,342 4.181,343 3.725,344 6.28,345 3.772,346 2.81,347 3.775,348 1.2,349 9.277,350 2.698,351 4.056,352 3.361,353 6.042,354 3.594,355 2.647,356 3.681,357 0.86,358 8.578,359 2.478,360 3.752,361 2.847,362 5.523,363 3.353,364 2.415,365 3.115,366 0.293,367 7.087,368 2.253,369 3.38,370 2.711,371 5.253,372 2.993,373 2.072,374 2.64,376 6.445,377 1.86,378 2.998,379 2.501,380 4.72,381 2.529,382 1.643,383 2.178,385 4.682,386 1.427,387 2.929,388 1.979,389 4.202,390 2.443,391 1.481,392 2.095,394 3.499,395 1.399,396 2.802,397 1.787,398 3.944,399 2.272,400 1.331,401 1.937,403 3.136,404 1.24,405 2.702,406 1.528,407 3.629,408 2.198,409 1.197,410 1.718,412 2.915,413 1.185,414 2.5,415 1.157,416 3.414,417 2,418 1,419 1.5,421 2.275,422 1,423 1.965,424 1.066,425 3.368,426 1.554,427 0.654,428 0.802,430 1.539,431 0.562,432 1.639,433 1,434 2.945,435 1.318,436 0.435,437 0.505,439 0.697,440 0.373,441 1.286,442 0.659,443 2.673,444 0.82,445 -0.051,446 -0.065,448 -0.126,449 -0.04,450 0.941,451 0.51,452 2.536,453 0.515,454 -0.379,455 -0.465,457 -0.971,458 -0.31,459 0.818,460 0.021,461 2.342,462 0.4,463 -0.551,464 -0.708,466 -1.128,467 -0.46,468 12.514,469 0.501,470 0.572,471 0.023,472 37.25,473 1.49,474 21,475 0.84,476 16.25,477 0.65,478 17.774,479 0.711,480 24.686,481 0.65,482 26.572,483 1.063,484 7.364,485 0.295,486 4.822,487 0.193,488 0.124,490 0.352,496 0.688,497 1.099,498 0.572,499 0.802,500 0.557,501 0.759,502 0.961,503 0.944,504 0.709,505 0.716,506 0.701,507 0.718,508 0.934,509 1.067,510 0.874,511 0.979,512 0.849,513 0.867,514 1.176,515 1.15,516 1.052,517 1.13,518 1.41,519 0.97,520 1.118,521 0.882,522 0.844,523 0.843,524 1.676,525 0.851,526 0.679,527 0.952,528 0.84,529 0.894,530 0.997,531 1.011,532 0.939,533 1.113,534 1.21,535 1.153,536 0.96,537 1.222,538 1.346,539 0.904,540 1.395,541 1.107,542 1.24,543 1.155,544 4,545 0.07,546 3.111,547 1.875,548 2.133,549 1.111,550 0.505,551 0.306,552 0.213,553 0.121,554 6394,555 20568,556 2.13,557 34.2,559 11,561 2,567 1.688,568 2,569 3.068,570 -0.751,572 1,577 66.605,578 1.753,579 3.459,580 4.281,581 4.86,582 4.912,583 4.912,584 2.519,585 4.214,586 4.613,587 3.218,588 965.499,589 8.021,590 11100.8,592 1,594 1,595 199.421,596 1.388,597 4.579,598 0.143,599 0.009,600 0.078,601 0.042,602 0.051,603 0.027,604 0.014,605 0.011,606 0.013,607 0.01,608 0.397,609 0.5,610 1,611 0.739,612 117.148,613 -0.03,614 -0.137,615 0.033,616 -0.016,617 -0.055,619 -0.067,620 0.075,621 0.052,622 0.167,623 -0.054,624 0.103,625 0.004,626 -0.033,627 0.122,628 0.023,629 0.022,630 0.012,631 -0.122,632 -0.115,633 -0.107,634 -0.125,635 -0.075,636 -0.076,637 -0.065,638 0.078,639 0.008,640 0.053,641 -0.078,642 0.071,643 0.239,644 -0.045,645 0.035,646 -0.021,647 0.181,648 -0.07,649 -0.118,650 -0.15,651 -0.166,652 -0.162,653 -0.113,654 -0.205,655 -0.221,656 0.081,657 -0.194,658 -0.045,659 -0.204,660 -0.056,661 1.805,662 6.241,663 0.8,664 18.326,665 1.015,666 1.099,667 2.827,668 7.993,669 0.763,670 3.367,671 3.714,672 4.06,673 4.369,674 4.691,675 4.812,676 4.963,677 5.081,678 5.187,679 5.118,680 5.218,681 0.728,682 368.86,683 3.367,684 4.92,685 5.802,686 6.703,687 7.607,688 8.519,689 9.432,690 10.349,691 11.266,692 12.185,693 5.3,700 1,703 1,709 10,710 1,714 7,716 18,724 1,733 1,734 1,735 38,737 19,738 2,739 28,741 41,742 19,743 17,744 4,745 8,746 1,748 4,749 7,750 1,762 18,763 1,767 1,772 1,776 1,780 1,783 13,784 4,786 6,787 2,792 2,797 0.5,798 2,809 1,816 4,820 2,843 2,844 1,845 1,847 1,848 1,851 25,861 1,862 1,864 1,873 1,874 5.3,877 1,879 1,881 12.5,882 7.376,883 5.528,884 2.125,886 3.412,887 1.449,888 1.021,889 4.318,890 11.01,891 3.664,892 4.284,893 4.896,894 5.477,895 6.07,896 6.32,897 6.714,898 7.116,899 7.508,900 7.732,901 0.833,902 45,903 9.211,905 3.978,906 7.771,907 17.404,909 14.352,911 2.271,912 56.778,916 153.024,917 162.257,918 19.91,919 39.149,920 36.145,922 32.22,923 130.037,924 228.318,925 19.91,926 10.883,927 3.124,928 75.81,929 70.177,930 49.639,932 161.702,933 39.149,934 153.024,935 149.947,936 36.145,937 71.368,939 153.024,940 36.145,943 21.219,944 111.942,945 55.934,946 32.22,947 153.024,948 56.055,949 201.405,952 153.024,953 57.469,954 107.912,956 92.079,957 153.024,958 56.055,959 201.405,961 0.582,962 0.361,963 0.202,964 0.118,965 21,966 9,967 0.049,968 2,969 2,970 1.2,971 3.573,972 223.629,973 0.2,974 20,975 112.096,977 1,981 16.308,982 6.619,983 2.856,985 56.055,986 18.083,987 4.165,991 5.123,994 410.484,995 38,1000 13.241,1004 -0.138,1007 38.56,1008 41.771,1009 0.334,1010 0.659,1011 0.816,1012 0.926,1013 0.936,1014 0.936,1015 4.902,1016 1.331,1017 5.796,1018 3.499,1019 4.394,1020 4.97,1021 3.125,1022 6.663,1023 4.267,1024 6.118,1025 1.197,1026 7.388,1027 3.136,1028 4.007,1029 4.732,1030 0.325,1031 7.687,1032 3.79,1033 7.434,1034 1,1035 9.085,1036 2.915,1037 6.033,1038 7.166,1039 5.057,1040 10.848,1041 5.792,1042 8.788,1043 0.654,1044 10.845,1045 2.275,1046 6.494,1047 7.734,1048 0.653,1049 12.72,1050 6.162,1051 10.174,1052 0.435,1053 12.645,1054 1.539,1055 7.981,1056 9.63,1057 7.189,1058 15.42,1059 7.626,1060 11.582,1061 -0.051,1062 14.474,1063 0.697,1064 8.832,1065 10.583,1066 1.001,1067 17.646,1068 8.39,1069 13.009,1070 -0.379,1071 16.323,1072 -0.126,1073 10.114,1074 12.238,1075 9.348,1076 20.199,1077 9.637,1078 3.337,1079 -0.551,1080 18.188,1081 -0.971,1082 11.147,1083 13.393,1084 1.37,1085 22.577,1086 10.589,1087 2.81,1088 12.143,1089 20.066,1090 -1.128,1091 12.357,1092 14.929,1093 11.511,1094 25.084,1095 11.752,1096 2.647,1097 9.277,1098 21.954,1099 4.199,1100 13.473,1101 16.195,1102 1.754,1103 27.528,1104 12.793,1105 2.415,1106 8.578,1107 23.851,1108 3.775,1109 14.662,1110 17.67,1111 13.675,1112 30.023,1113 13.926,1114 2.072,1115 7.087,1116 25.755,1117 3.681,1118 15.819,1119 18.999,1120 2.143,1121 32.495,1122 15.012,1123 1.643,1124 6.445,1125 27.666,1126 3.115,1127 17.005,1128 20.443,1129 15.838,1130 34.988,1131 16.137,1132 1.481,1133 4.682,1134 29.582,1135 2.64,1136 18.181,1137 21.809,1138 2.535,1139 37.473,1140 17.245,1141 6127,1142 11129,1143 18.898,1144 28.994,1145 42.452,1146 46.145,1147 44.183,1148 42.227,1149 42.042,1150 56.287,1151 10.606,1152 124.548,1153 39.213,1154 5.48,1155 6.632,1156 6.738,1157 5.44,1158 5.337,1159 7.199,1160 5.9,1161 19.751,1162 5.129,1163 10.734,1164 1.516,1165 1.648,1166 1.578,1167 1.508,1168 1.502,1169 2.01,1170 0.379,1171 4.448,1172 1.4,1173 4.038,1174 4.058,1175 4.199,1176 3.986,1177 7.428,1178 3.968,1179 3.883,1180 3.901,1181 3.869,1182 3.824,1183 5.009,1184 3.818,1185 3.739,1186 3.771,1187 3.797,1188 3.666,1189 4.852,1190 3.663,1191 3.36,1192 3.386,1193 3.384,1194 3.132,1195 4.705,1196 3.167,1197 3.151,1198 3.217,1199 3.314,1200 2.933,1201 4.44,1202 2.915,1203 2.922,1204 2.951,1205 3.171,1206 2.9,1207 4.339,1208 2.834,1209 2.854,1210 2.925,1211 2.944,1212 2.735,1213 3.91,1214 2.715,1215 2.85,1216 2.883,1217 2.688,1218 2.719,1219 3.677,1220 2.709,1221 0.165,1222 0.165,1223 0.252,1224 0.153,1225 0.119,1226 4.608,1227 0.15,1228 4.632,1229 0.105,1230 7.057,1231 0.434,1232 4.273,1233 0.112,1234 3.337,1235 4.199,1236 2.95,1237 12.143,1238 3.129,1239 1.971,1240 1.955,1241 2.023,1242 2.061,1243 1.177,1244 2.059,1245 1.87,1246 1.852,1247 1.963,1248 1.954,1249 1.062,1250 1.962,1251 1.715,1252 1.688,1253 1.784,1254 1.82,1255 0.884,1256 1.824,1257 1.251,1258 1.217,1259 1.573,1260 1.543,1261 0.577,1262 1.545,1263 1.098,1264 1.031,1265 1.247,1266 1.349,1267 0.321,1268 1.326,1269 0.903,1270 0.875,1271 1.181,1272 1.062,1273 0.218,1274 1.107,1275 0.886,1276 0.821,1277 1.111,1278 1.023,1279 0.208,1280 1.073,1281 0.819,1282 0.782,1283 0.993,1284 0.975,1285 0.107,1286 0.99,1287 4.043,1289 5.38,1291 6.942,1293 8.608,1295 10.329,1297 1.596,1298 6.326,1306 5.167,1307 1.546,1309 1.669,1314 27.648,1315 66.605,1316 131.447,1317 162.666,1318 184.666,1319 186.666,1320 186.666,1321 37.381,1322 7.598,1323 44.12,1324 72.36,1325 24,1326 12.695,1327 4.322,1328 3.459,1329 35.608,1330 74,1331 103,1332 0.231,1333 175.222,1334 302.02,1335 419.302,1336 19824,1337 2.6,1338 17.389,1339 0.696,1340 0.594,1341 18.242,1342 14.843,1343 12.186,1344 0.435,1345 0.313,1346 7.583,1347 11.096,1348 7.286,1349 6.028,1350 12.883,1351 8.771,1352 10.806,1353 0.27,1354 0.172,1355 11.792,1356 6.868,1357 9.829,1358 0.172,1359 0.097,1360 11.14,1361 5.53,1362 8.33,1363 0.107,1364 0.052,1365 9.588,1366 4.021,1367 7.194,1368 0.067,1369 0.028,1370 8.562,1371 3.062,1372 0.347,1373 83.066,1374 0.23,1375 23.545,1376 0.688,1377 136,1378 417.825,1379 186.704,1380 454.945,1381 617.83,1382 426,1383 165,1384 419.125,1385 216.412,1386 452.345,1387 669.33,1388 425,1389 6.1}
{0 CHEMBL1988594,1 1.76,2 13.276,3 2.243,4 5.029,5 112.693,6 8.989,7 0.688,8 3.939,9 4.052,10 3.695,11 3.54,12 5.197,13 3.527,14 4.376,15 4.501,16 4.059,17 3.904,18 5.68,19 3.867,20 4.594,21 4.766,22 4.056,23 3.959,24 5.816,25 3.916,26 4.626,27 4.816,28 4.083,29 3.871,30 5.921,31 3.836,32 4.566,33 4.762,34 3.847,35 3.755,36 5.972,37 3.708,38 4.392,39 4.577,40 3.727,41 3.692,42 5.655,43 3.645,44 4.327,45 4.512,46 3.698,47 3.739,48 5.489,49 3.638,50 4.332,51 4.536,52 3.552,53 3.641,54 5.463,55 3.547,56 0.112,57 0.73,58 6.721,59 3.5,60 11.398,61 3.643,62 0.307,63 1.116,64 12.53,65 5.992,66 23.523,67 6.728,68 0.329,69 1.295,70 17.091,71 7.286,72 39.123,73 7.978,74 0.384,75 1.316,76 22.594,77 7.832,78 37.865,79 8.831,80 0.617,81 1.159,82 22.802,83 7.825,84 78.686,85 8.389,86 0.42,87 0.977,88 16.168,89 6.069,90 60.485,91 6.243,92 0.298,93 0.965,94 16.209,95 6.842,96 30.157,97 8.076,98 0.261,99 0.963,100 16.413,101 6.342,102 32.497,103 7.368,104 10,105 44,106 0.297,107 0.582,108 0.693,109 0.775,110 0.829,111 0.851,112 3.407,113 0.891,114 -3.55,115 -3.52,116 -3.36,119 44.4,142 9,143 2,144 3,147 1,148 1,151 1,158 1,159 1,161 1,163 1,164 1,165 1,172 7,174 1,175 4,177 1,178 4,179 1,180 8,183 8,185 1,188 3,193 8,196 4,198 1,200 8,202 1,203 1,205 7,208 2,210 1,212 2,213 6,215 1,216 3,217 2,218 4,220 1,221 4,225 1,230 1,233 8,238 4,241 2,242 1,243 3,246 10,248 2,250 4,255 3,258 6,260 2,263 1,264 1,267 1,269 4,272 2,276 1362,277 19.723,278 19.723,279 19.723,280 19.723,281 19.723,282 16.8,283 22.405,284 11.767,285 20.185,286 15.821,287 15.821,288 15.821,289 15.821,290 15.821,291 11.467,292 31.522,293 5.625,294 16.55,295 3.732,296 2.038,297 1.385,298 0.895,299 0.578,300 0.444,301 4.105,305 1,306 1,307 843,308 3.536,311 71.618,312 299.371,315 133.859,319 2.197,320 30.78,323 1,324 1,325 1,326 0.4,328 0.83,329 0.5,330 0.68,331 63,332 385,333 4.659,334 3.621,335 6.87,336 4.184,337 3.22,338 4.613,339 1.656,340 11.41,341 3.108,342 4.093,343 3.562,344 5.784,345 3.709,346 2.74,347 3.665,348 1.058,349 7.916,350 2.648,351 3.953,352 3.033,353 5.589,354 3.572,355 2.603,356 3.472,357 0.247,358 7.616,359 2.516,360 3.799,361 2.676,362 5.401,363 3.401,364 2.425,365 3.178,367 7.062,368 2.356,369 3.563,370 2.53,371 5.164,372 3.153,373 2.173,374 2.866,376 6.367,377 2.122,378 3.42,379 2.237,380 5.033,381 2.876,382 1.99,383 2.804,385 5.675,386 1.834,387 3.279,388 2.087,389 4.623,390 2.834,391 1.859,392 2.51,394 4.962,395 1.712,396 2.939,397 1.757,398 4.206,399 2.397,400 1.434,401 2.09,403 3.579,404 1.383,405 2.847,406 1.519,407 3.757,408 2.366,409 1.38,410 1.978,412 2.991,413 1.343,414 2.522,415 1.14,416 3.569,417 2,418 1.016,419 1.502,421 2.573,422 1,423 2.5,424 1,425 3.414,426 2,427 1,428 1.5,430 2.275,431 1,432 2.5,433 1,434 3.303,435 1.943,436 1,437 1.5,439 2.136,440 0.926,441 2.154,442 0.824,443 3.247,444 1.548,445 0.707,446 0.988,448 1.745,449 0.581,450 1.492,451 0.775,452 2.929,453 1.157,454 0.192,455 0.233,457 0.483,458 0.184,459 1.179,460 0.508,461 2.65,462 0.814,463 -0.165,464 -0.205,466 -0.408,467 -0.16,468 13.9,469 0.479,470 0.661,471 0.023,472 44.25,473 1.526,474 25,475 0.862,476 19.25,477 0.664,478 18.481,479 0.637,480 29.3,481 0.651,482 32.644,483 1.126,484 8.815,485 0.304,486 5.282,487 0.182,488 0.077,490 0.324,496 0.864,497 1.099,498 0.706,499 0.77,500 0.678,501 0.724,502 0.474,503 1.06,504 0.853,505 1.035,506 0.525,507 0.972,508 1.153,509 1.17,510 0.896,511 0.952,512 1.035,513 1.007,514 1.096,515 1.272,516 0.929,517 1.204,518 1.08,519 1.04,520 1.351,521 0.768,522 1.148,523 0.976,524 1.538,525 0.972,526 1.687,527 0.774,528 0.983,529 0.697,530 1.793,531 0.847,532 0.554,533 0.948,534 1.059,535 1.088,536 0.617,537 1.096,538 0.921,539 1.097,540 1.138,541 1.122,542 0.837,543 1.167,544 5.5,545 0.099,546 2.667,547 2,548 1.717,549 0.583,550 0.656,551 0.219,552 0.214,553 0.185,554 12623,555 39407,556 2.111,557 35.6,559 9,560 1,561 1,562 5,567 1.712,568 2,569 3.659,570 2.494,571 1,572 1,577 79.185,578 1.76,579 3.454,580 4.107,581 4.597,582 4.914,583 5.047,584 3.066,585 4.418,586 4.83,587 3.865,588 1569.26,589 8.373,590 22455.1,592 1,594 1,595 247.133,596 1.314,597 4.8,598 0.172,599 0.006,600 0.061,601 0.047,602 0.043,603 0.017,604 0.021,605 0.007,606 0.008,607 0.009,608 0.39,609 0.17,610 1,611 0.506,612 150.827,613 -0.167,614 0.008,615 0.018,616 0.111,617 -0.133,618 0.09,619 0.278,620 0.013,621 -0.007,622 -0.084,623 0.099,624 -0.105,625 -0.197,626 -0.166,627 -0.052,628 -0.053,629 -0.129,630 -0.094,631 -0.019,632 -0.288,633 0.109,634 -0.21,635 0.015,636 -0.068,637 0.039,638 0.184,639 -0.104,640 0.009,641 0.039,642 -0.002,643 -0.391,644 0.171,645 -0.093,646 0.216,647 -0.325,648 0.094,649 0.155,650 -0.001,651 -0.055,652 -0.041,653 0.055,654 -0.063,655 -0.136,656 -0.14,657 -0.179,658 -0.145,659 -0.107,660 -0.153,661 2.02,662 5.612,663 0.724,664 31.275,665 1.017,666 1.12,667 2.32,668 5.385,669 0.72,670 3.497,671 3.807,672 4.06,673 4.331,674 4.489,675 4.454,676 4.554,677 4.654,678 4.635,679 4.727,680 7.804,681 0.697,682 404.49,683 3.497,684 5.03,685 5.872,686 6.744,687 7.6,688 8.477,689 9.341,690 10.22,691 11.089,692 11.97,693 13.3,697 1,700 3,703 2,708 2,709 11,710 2,713 1,714 5,716 22,723 1,727 1,735 45,737 24,738 2,739 32,741 48,742 20,743 18,744 3,745 9,746 1,748 4,749 5,753 1,762 20,767 2,772 2,776 2,780 1,783 16,784 8,785 5,786 9,787 1,792 6,797 0.75,798 2,810 1,815 1,816 3,819 1,843 3,845 1,851 29,852 1,860 3,869 1,874 4.4,877 2,881 14.5,882 7.9,883 6.361,884 2.372,886 3.972,887 1.521,888 1.034,889 5.58,890 11.588,891 3.829,892 4.446,893 5.03,894 5.643,895 6.123,896 6.28,897 6.619,898 6.998,899 7.042,900 7.369,901 0.889,902 43,903 10.665,905 4.581,906 7.925,907 19.796,909 15.952,911 2.425,912 70.333,916 129.482,917 158.486,918 120.5,920 50.29,922 31.278,923 127.208,924 179.772,925 120.5,927 54.032,928 125.832,929 100.654,930 22.647,931 18.375,932 137.218,934 129.482,935 247.709,936 50.29,937 31.278,939 129.482,940 50.29,943 62.968,944 151.17,945 33.571,946 31.278,947 129.482,948 170.79,949 158.486,952 129.482,953 56.932,954 101.554,955 54.032,956 116.758,957 129.482,958 170.79,959 158.486,961 0.578,962 0.334,963 0.187,964 0.098,965 21,966 9,967 0.083,968 4,969 1,970 1.095,971 4.215,972 246.082,973 0.095,974 21,975 130.881,977 1,981 19.148,982 8.45,983 4.461,984 1.206,985 170.79,986 19.004,987 8.068,990 1.331,991 2.562,993 86.929,994 458.758,995 45,1000 24.654,1004 -0.659,1007 45.76,1008 50.405,1009 0.32,1010 0.629,1011 0.748,1012 0.837,1013 0.895,1014 0.919,1015 5.04,1016 1.434,1017 5.844,1018 4.962,1019 4.489,1020 5.133,1021 2.084,1022 6.629,1023 4.405,1024 6.252,1025 1.38,1026 7.382,1027 3.579,1028 4.007,1029 4.89,1030 1.195,1031 7.479,1032 3.915,1033 7.555,1034 1.016,1035 9.021,1036 2.991,1037 6.052,1038 7.355,1039 2.617,1040 10.596,1041 5.897,1042 8.893,1043 1,1044 10.721,1045 2.573,1046 6.399,1047 7.971,1048 2.324,1049 12.349,1050 6.229,1051 10.264,1052 1,1053 12.464,1054 2.275,1055 7.901,1056 9.891,1057 3.348,1058 14.992,1059 7.682,1060 11.659,1061 0.707,1062 14.239,1063 2.136,1064 8.65,1065 10.949,1066 3.407,1067 17.146,1068 8.408,1069 13.074,1070 0.192,1071 16.039,1072 1.745,1073 9.929,1074 12.636,1075 4.204,1076 19.641,1077 9.646,1078 3.22,1079 -0.165,1080 17.859,1081 0.483,1082 10.883,1083 13.929,1084 4.464,1085 21.965,1086 10.569,1087 2.74,1088 11.41,1089 19.697,1090 -0.408,1091 12.072,1092 15.515,1093 5.132,1094 24.415,1095 11.721,1096 2.603,1097 7.916,1098 21.55,1099 4.613,1100 13.128,1101 16.928,1102 5.504,1103 26.806,1104 12.743,1105 2.425,1106 7.616,1107 23.416,1108 3.665,1109 14.286,1110 18.473,1111 6.1,1112 29.244,1113 13.866,1114 2.173,1115 7.062,1116 25.292,1117 3.472,1118 15.393,1119 19.946,1120 6.531,1121 31.661,1122 14.937,1123 1.99,1124 6.367,1125 27.176,1126 3.178,1127 16.544,1128 21.476,1129 7.087,1130 34.096,1131 16.052,1132 1.859,1133 5.675,1134 29.069,1135 2.866,1136 17.677,1137 22.977,1138 7.551,1139 36.524,1140 17.149,1141 11821,1142 21074,1143 21.671,1144 32.398,1145 48.062,1146 49.409,1147 48.777,1148 47.419,1149 47.479,1150 65.801,1151 5.923,1152 133.579,1153 45.429,1154 5.531,1155 5.621,1156 6.672,1157 5.293,1158 5.22,1159 7.613,1160 2.912,1161 18.549,1162 5.108,1163 12.119,1164 1.502,1165 1.544,1166 1.524,1167 1.482,1168 1.484,1169 2.056,1170 0.185,1171 4.174,1172 1.42,1173 4.069,1174 4.088,1175 4.321,1176 4.045,1177 7.432,1178 4.004,1179 3.935,1180 3.97,1181 3.89,1182 3.849,1183 7.428,1184 3.848,1185 3.872,1186 3.906,1187 3.808,1188 3.804,1189 5.216,1190 3.8,1191 3.476,1192 3.525,1193 3.446,1194 3.216,1195 4.79,1196 3.261,1197 3.37,1198 3.412,1199 3.42,1200 3.131,1201 4.753,1202 3.164,1203 3.129,1204 3.183,1205 3.276,1206 2.975,1207 4.739,1208 2.948,1209 2.974,1210 3.078,1211 2.87,1212 2.75,1213 4.274,1214 2.753,1215 2.854,1216 2.925,1217 2.755,1218 2.735,1219 4.064,1220 2.715,1221 0.146,1222 0.113,1223 0.215,1224 0.131,1225 0.101,1226 4.659,1227 0.144,1228 3.621,1229 0.052,1230 6.87,1231 0.357,1232 4.184,1233 0.097,1234 3.22,1235 4.613,1236 1.656,1237 11.41,1238 3.108,1239 1.909,1240 1.879,1241 2.018,1242 2.033,1243 1.088,1244 2.026,1245 1.878,1246 1.848,1247 1.993,1248 1.983,1249 1.058,1250 1.985,1251 1.805,1252 1.778,1253 1.839,1254 1.945,1255 0.949,1256 1.927,1257 1.471,1258 1.467,1259 1.48,1260 1.654,1261 0.619,1262 1.622,1263 1.27,1264 1.226,1265 1.384,1266 1.532,1267 0.358,1268 1.508,1269 1.015,1270 0.974,1271 1.181,1272 1.289,1273 0.22,1274 1.285,1275 0.886,1276 0.821,1277 1.181,1278 1.156,1279 0.218,1280 1.167,1281 0.886,1282 0.821,1283 1.179,1284 1.062,1285 0.218,1286 1.107,1287 4.174,1289 5.485,1290 2.398,1291 6.984,1292 4.727,1293 8.569,1294 6.862,1295 10.199,1301 5.883,1305 8.284,1314 31.379,1315 79.185,1316 155.431,1317 184.83,1318 206.869,1319 221.133,1320 227.133,1321 49.189,1322 7.616,1323 122.03,1324 150.27,1325 23,1326 12.508,1327 4.644,1328 3.807,1329 45.121,1330 138,1331 130,1332 0.158,1333 197.804,1334 331.93,1335 474.402,1336 23965,1338 20.217,1339 0.697,1340 0.547,1341 20.571,1342 15.864,1343 14.097,1344 0.441,1345 0.297,1346 8.578,1347 13.145,1348 8.352,1349 6.943,1350 14.551,1351 9.501,1352 12.667,1353 0.288,1354 0.157,1355 13.218,1356 6.923,1357 10.399,1358 0.182,1359 0.087,1360 11.073,1361 4.963,1362 8.983,1363 0.12,1364 0.048,1365 9.869,1366 3.61,1367 6.964,1368 0.079,1369 0.025,1370 7.693,1371 2.228,1372 0.257,1373 92.702,1374 0.215,1375 28.229,1376 0.409,1377 152,1378 479.933,1379 190.174,1380 492.174,1381 669.15,1382 458,1383 177,1384 478.208,1385 210.856,1386 500.716,1387 727.84,1388 470,1389 6.5}
{0 CHEMBL1988608,1 1.663,2 11.75,3 1.259,4 1.586,5 105.617,6 8.343,7 0.516,8 3.942,9 4.049,10 3.589,11 3.482,12 5.203,13 3.496,14 4.37,15 4.513,16 3.917,17 3.806,18 5.623,19 3.81,20 4.56,21 4.726,22 3.903,23 3.863,24 5.887,25 3.837,26 4.584,27 4.801,28 3.79,29 3.817,30 5.739,31 3.766,32 4.491,33 4.682,34 3.759,35 3.759,36 5.716,37 3.726,38 4.497,39 4.685,40 3.778,41 3.748,42 5.737,43 3.726,44 4.483,45 4.651,46 3.761,47 3.691,48 5.804,49 3.679,50 4.471,51 4.688,52 3.681,53 3.595,54 5.746,55 3.568,56 0.148,57 0.696,58 7.509,59 3.658,60 16.515,61 4.092,62 0.215,63 1.045,64 12.698,65 5.57,66 22.754,67 6.831,68 0.512,69 1.188,70 17.202,71 6.589,72 64.658,73 8.033,74 0.433,75 1.17,76 20.233,77 7.205,78 50.516,79 9.612,80 0.406,81 1.067,82 17.485,83 6.562,84 47.623,85 7.995,86 0.363,87 1.02,88 18.222,89 6.931,90 50.005,91 8.459,92 0.423,93 1.005,94 17.209,95 6.44,96 59.995,97 7.463,98 0.548,99 0.975,100 19.378,101 6.487,102 60.643,103 8.337,104 19,105 44,106 0.282,107 0.684,108 0.808,109 0.889,110 0.897,111 0.904,112 3.374,113 0.83,114 -2,115 -2.05,116 -2.04,119 44.4,120 1,125 1,138 2,142 7,143 2,144 2,145 1,152 1,156 2,158 1,168 1,172 6,175 5,178 1,180 5,183 6,187 1,188 6,191 2,192 1,193 4,196 4,200 4,203 2,205 1,208 2,212 1,213 6,216 2,218 3,221 2,225 5,230 7,233 1,237 1,238 2,243 5,246 2,249 1,250 1,253 3,254 2,255 2,258 6,267 1,268 2,269 1,272 6,276 1340,277 18.809,278 18.809,279 18.809,280 18.809,281 18.809,282 16.024,283 22.035,284 10.999,285 19.052,286 15.306,287 15.306,288 15.306,289 15.306,290 15.306,291 11.16,292 34.011,293 5.245,294 15.752,295 3.829,296 1.45,297 0.72,298 0.239,299 0.195,300 0.15,301 4.067,305 1,306 1,307 717,308 3.391,310 69.672,311 71.205,312 174.777,315 121.629,319 1.839,320 32.828,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 61.5,332 329,333 4.677,334 3.602,335 6.951,336 4.257,337 3.299,338 4.382,339 1.907,340 11.622,341 3.153,342 4.419,343 3.533,344 6.193,345 3.914,346 2.932,347 4.199,348 0.795,349 9.256,350 2.876,351 4.091,352 2.961,353 5.632,354 3.704,355 2.721,356 3.682,357 0.6,358 7.846,359 2.674,360 3.693,361 2.839,362 5.344,363 3.27,364 2.287,365 3.118,366 0.149,367 6.844,368 2.251,369 3.591,370 2.498,371 5.109,372 3.231,373 2.26,374 2.822,376 6.27,377 2.179,378 3.261,379 2.33,380 4.913,381 2.834,382 1.828,383 2.428,385 4.813,386 1.828,387 3.083,388 2.026,389 4.804,390 2.517,391 1.562,392 2.301,394 4.452,395 1.507,396 3.034,397 1.826,398 4.368,399 2.5,400 1.534,401 2.176,403 4.384,404 1.455,405 2.929,406 1.534,407 4.362,408 2.376,409 1.44,410 1.964,412 4.166,413 1.34,414 2.664,415 1.303,416 3.5,417 2.189,418 1.193,419 1.732,421 2.63,422 1.187,423 2.565,424 1.167,425 3.455,426 2.051,427 1.088,428 1.584,430 2.441,431 1.044,432 1.943,433 1.054,434 3.285,435 1.551,436 0.631,437 0.738,439 1.516,440 0.576,441 1.765,442 0.611,443 3.085,444 1.427,445 0.464,446 0.634,448 1.131,449 0.445,450 1.342,451 0.548,452 2.889,453 0.935,454 0.012,455 0.015,457 0.031,458 0.011,459 1.177,460 0.399,461 2.529,462 0.824,463 -0.152,464 -0.185,466 -0.391,467 -0.148,468 13,469 0.464,470 0.75,471 0.027,472 39.25,473 1.402,474 21,475 0.75,476 18.25,477 0.652,478 19.57,479 0.699,480 29,481 0.644,482 29.49,483 1.053,484 8.108,485 0.29,486 5.401,487 0.193,488 0.115,490 0.385,496 0.895,497 1.079,498 0.736,499 0.875,500 0.841,501 0.789,502 0.728,503 1.298,504 0.742,505 1.056,506 0.629,507 0.923,508 0.905,509 1.136,510 1.087,511 1.088,512 0.904,513 1.115,514 0.774,515 1.012,516 0.934,517 0.972,518 0.671,519 0.975,520 1.059,521 0.847,522 1.04,523 0.97,524 1.074,525 0.991,526 1.163,527 0.989,528 0.911,529 0.992,530 1.157,531 0.92,532 1.401,533 1.213,534 1.108,535 1.167,536 1.461,537 1.107,538 1.019,539 0.782,540 0.893,541 0.876,542 1.055,543 0.871,544 6,545 0.137,546 2.889,547 2.507,548 1.373,549 0.927,550 0.653,551 0.486,552 0.322,553 0.241,554 10690,555 32837,556 2.094,557 37.8,559 9,561 1,562 4,563 3,567 1.709,568 1.953,569 3.541,570 1.698,571 1,572 1,577 74.843,578 1.663,579 4.042,580 4.772,581 5.253,582 5.297,583 5.342,584 2.968,585 4.522,586 4.78,587 3.718,588 1405.35,589 8.303,590 19163.9,592 1,595 247.133,596 1.432,597 4.736,598 0.194,599 0.006,600 0.069,601 0.064,602 0.039,603 0.027,604 0.019,605 0.015,606 0.011,607 0.01,608 0.453,609 0.17,610 1,611 0.916,612 142.403,613 -0.117,614 0.052,615 -0.004,616 0.104,617 -0.151,618 0.078,619 -0.001,620 -0.203,621 0.061,622 -0.087,623 0.01,624 -0.015,625 0.038,626 -0.081,627 -0.197,628 -0.138,629 0.026,630 -0.205,631 0.023,632 -0.025,633 0.044,634 0.007,635 0.043,636 0.03,637 -0.101,638 0.158,639 -0.092,640 0.002,641 -0.108,642 -0.031,643 -0.126,644 -0.053,645 0.069,646 0.018,647 -0.074,648 0.077,649 -0.176,650 -0.26,651 -0.138,652 -0.188,653 -0.161,654 -0.167,655 0.132,656 0.153,657 0.169,658 0.096,659 0.03,660 0.124,661 1.946,662 4.179,663 0.679,664 26.633,665 1.018,666 1.125,667 0.768,668 0.589,669 0.688,670 3.466,671 3.807,672 4.078,673 4.304,674 4.431,675 4.511,676 4.644,677 4.812,678 4.868,679 4.956,680 7.079,681 0.676,682 375.42,683 3.466,684 5.017,685 5.872,686 6.758,687 7.63,688 8.521,689 9.4,690 10.294,691 11.179,692 12.076,693 11.1,700 1,701 1,702 2,703 1,708 2,709 8,710 1,711 1,714 3,716 16,735 45,737 20,738 2,739 31,741 48,742 20,743 13,744 5,745 7,746 4,748 4,749 5,754 1,762 18,763 2,767 4,772 1,775 2,776 5,779 1,780 1,783 17,784 7,785 4,786 8,792 5,797 0.75,798 3,807 1,814 1,815 1,816 2,819 1,826 2,829 1,834 2,841 2,843 3,847 1,851 28,857 2,858 1,860 1,874 6.7,876 2,877 1,881 14.333,882 8.333,883 6.056,884 2.467,886 4.736,887 1.619,888 0.976,889 4.778,890 12.382,891 3.784,892 4.428,893 5.025,894 5.601,895 6.068,896 6.422,897 6.885,898 7.395,899 7.692,900 8.108,901 0.875,902 39,903 10.305,905 4.475,906 7.97,907 19.118,909 15.591,911 2.47,912 69.167,916 153.024,917 109.946,918 84.908,920 110.512,923 109.946,924 263.536,925 84.908,926 8.825,927 20.116,928 66.334,929 149.164,930 70.554,931 2.144,932 141.253,934 153.024,935 194.854,936 110.512,939 153.024,940 110.512,943 88.223,944 89.968,945 16.663,947 153.024,948 195.419,949 109.946,952 153.024,953 25.74,954 84.206,955 34.674,956 160.746,957 153.024,958 195.419,959 109.946,961 0.586,962 0.337,963 0.179,964 0.088,965 22,966 10,967 0.083,968 4,969 1,970 1.105,971 4.093,972 237.772,973 0.105,974 19,975 134.606,981 18.107,982 7.389,983 3.747,984 1.773,985 178.756,986 14.378,987 3.964,988 2.86,991 2.129,993 120.04,994 458.39,995 43,1000 11.179,1003 8.764,1004 -0.232,1007 45.793,1008 50.611,1009 0.303,1010 0.736,1011 0.869,1012 0.956,1013 0.965,1014 0.973,1015 5.024,1016 1.534,1017 5.866,1018 4.452,1019 4.489,1020 5.115,1021 2.201,1022 6.683,1023 4.429,1024 6.261,1025 1.44,1026 7.43,1027 4.384,1028 4.111,1029 4.956,1030 1.593,1031 7.576,1032 4.027,1033 7.591,1034 1.193,1035 9.091,1036 4.166,1037 6.107,1038 7.369,1039 2.96,1040 10.736,1041 5.989,1042 8.958,1043 1.088,1044 10.813,1045 2.63,1046 6.567,1047 8.048,1048 3.032,1049 12.508,1050 6.408,1051 10.357,1052 0.631,1053 12.575,1054 2.441,1055 8.038,1056 9.918,1057 4.048,1058 15.202,1059 7.852,1060 11.781,1061 0.464,1062 14.369,1063 1.516,1064 8.881,1065 10.997,1066 4.409,1067 17.348,1068 8.646,1069 13.224,1070 0.012,1071 16.187,1072 1.131,1073 10.152,1074 12.636,1075 5.252,1076 19.885,1077 9.887,1078 3.299,1079 -0.152,1080 18.025,1081 0.031,1082 11.173,1083 13.91,1084 5.75,1085 22.195,1086 10.855,1087 2.932,1088 11.622,1089 19.879,1090 -0.391,1091 12.369,1092 15.447,1093 6.502,1094 24.676,1095 12.017,1096 2.721,1097 9.256,1098 21.747,1099 4.382,1100 13.471,1101 16.815,1102 7.068,1103 27.059,1104 13.066,1105 2.287,1106 7.846,1107 23.626,1108 4.199,1109 14.644,1110 18.306,1111 7.771,1112 29.52,1113 14.199,1114 2.26,1115 6.844,1116 25.515,1117 3.682,1118 15.784,1119 19.721,1120 8.374,1121 31.937,1122 15.288,1123 1.828,1124 6.27,1125 27.411,1126 3.118,1127 16.953,1128 21.193,1129 9.051,1130 34.391,1131 16.413,1132 1.562,1133 4.813,1134 29.314,1135 2.822,1136 18.111,1137 22.631,1138 9.674,1139 36.825,1140 17.521,1141 10128,1142 17877,1143 20.69,1144 30.96,1145 47.365,1146 47.87,1147 48.297,1148 46.478,1149 46.506,1150 63.55,1151 6.902,1152 134.803,1153 45.053,1154 5.537,1155 5.602,1156 6.506,1157 5.304,1158 5.299,1159 7.382,1160 3.306,1161 19.622,1162 5.153,1163 14.012,1164 1.528,1165 1.544,1166 1.558,1167 1.499,1168 1.5,1169 2.05,1170 0.223,1171 4.348,1172 1.453,1173 4.108,1174 4.148,1175 4.073,1176 3.999,1177 7.43,1178 4.012,1179 3.959,1180 3.992,1181 3.914,1182 3.873,1183 6.539,1184 3.875,1185 3.845,1186 3.867,1187 3.816,1188 3.726,1189 6.391,1190 3.749,1191 3.529,1192 3.575,1193 3.434,1194 3.301,1195 5.106,1196 3.324,1197 3.353,1198 3.418,1199 3.29,1200 3.162,1201 4.8,1202 3.184,1203 3.183,1204 3.246,1205 3.058,1206 3.017,1207 4.685,1208 3.014,1209 2.954,1210 3.015,1211 2.839,1212 2.821,1213 4.395,1214 2.819,1215 2.899,1216 2.987,1217 2.733,1218 2.741,1219 4.023,1220 2.73,1221 0.151,1222 0.116,1223 0.224,1224 0.137,1225 0.106,1226 4.677,1227 0.141,1228 3.602,1229 0.062,1230 6.951,1231 0.375,1232 4.257,1233 0.102,1234 3.299,1235 4.382,1236 1.907,1237 11.622,1238 3.153,1239 1.959,1240 1.935,1241 2.04,1242 2.065,1243 1.168,1244 2.055,1245 1.916,1246 1.889,1247 2.014,1248 2.011,1249 1.143,1250 2.014,1251 1.754,1252 1.741,1253 1.795,1254 1.89,1255 0.906,1256 1.864,1257 1.453,1258 1.401,1259 1.705,1260 1.703,1261 0.726,1262 1.7,1263 1.31,1264 1.229,1265 1.464,1266 1.636,1267 0.588,1268 1.589,1269 1.173,1270 1.109,1271 1.42,1272 1.387,1273 0.407,1274 1.4,1275 1.007,1276 0.961,1277 1.183,1278 1.195,1279 0.231,1280 1.19,1281 0.902,1282 0.828,1283 1.165,1284 1.142,1285 0.226,1286 1.166,1287 4.143,1289 5.509,1290 2.398,1291 7.072,1292 4.595,1293 8.723,1294 6.581,1295 10.419,1297 1.441,1302 19.935,1303 0.264,1305 2.713,1314 30.412,1315 74.843,1316 181.872,1317 214.727,1318 236.379,1319 238.379,1320 240.379,1321 50.633,1322 7.646,1323 122.96,1324 122.96,1325 21,1326 12.602,1327 4.392,1328 3.7,1329 42.521,1330 117,1331 114,1332 0.172,1333 186.803,1334 324.75,1335 447.558,1336 23727,1338 19.673,1339 0.703,1340 0.535,1341 19.673,1342 14.97,1343 13.508,1344 0.436,1345 0.277,1346 8.446,1347 12.97,1348 8.248,1349 6.842,1350 13.508,1351 8.572,1352 12.517,1353 0.284,1354 0.144,1355 12.517,1356 6.346,1357 10.338,1358 0.178,1359 0.073,1360 10.338,1361 4.229,1362 8.542,1363 0.117,1364 0.039,1365 8.542,1366 2.829,1367 6.3,1368 0.076,1369 0.021,1370 6.3,1371 1.721,1372 0.274,1373 85.005,1374 0.22,1375 27.065,1376 0.459,1377 150,1378 473.636,1379 165.359,1380 462.618,1381 629.43,1382 430,1383 177,1384 465.979,1385 192.971,1386 472.757,1387 688.12,1388 444,1389 5.1}
{0 CHEMBL1988717,1 1.79,2 15.528,3 3.183,4 10.128,5 128.671,6 8.955,7 0.675,8 4.158,9 4.281,10 3.863,11 3.663,12 5.429,13 3.699,14 4.658,15 4.807,16 4.309,17 4.05,18 6.295,19 4.08,20 4.823,21 4.994,22 4.278,23 4.162,24 6.129,25 4.164,26 4.944,27 5.146,28 4.282,29 4.142,30 6.275,31 4.143,32 4.925,33 5.15,34 4.205,35 4.032,36 6.283,37 4.037,38 4.761,39 4.975,40 4.007,41 3.944,42 6.019,43 3.931,44 4.693,45 4.908,46 3.993,47 3.893,48 6.234,49 3.857,50 4.569,51 4.784,52 3.795,53 3.83,54 5.741,55 3.781,56 0.258,57 1.127,58 7.531,59 4.272,60 28.454,61 4.535,62 1.003,63 2.074,64 15.706,65 7.1,66 140.205,67 7.807,68 0.627,69 1.933,70 18.871,71 8.509,72 52.955,73 9.659,74 0.871,75 2.061,76 25.858,77 9.99,78 97.215,79 11.715,80 1.139,81 1.861,82 27.712,83 8.456,84 107.218,85 10.127,86 0.838,87 1.59,88 23.511,89 8.243,90 111.999,91 9.62,92 1.09,93 1.44,94 21.302,95 7.424,96 145.216,97 9.424,98 0.569,99 1.335,100 18.51,101 7.518,102 63.988,103 9.215,104 38,105 59,106 0.289,107 0.63,108 0.771,109 0.85,110 0.869,111 0.875,112 3.615,113 0.799,114 -4.73,115 -4.65,116 -4.37,119 43.6,124 1,132 1,142 8,143 5,144 2,145 3,151 1,153 1,159 1,161 1,163 1,164 1,165 1,166 2,172 10,174 1,175 7,177 1,178 3,179 1,180 5,183 10,185 1,187 1,188 8,190 1,191 1,193 5,196 6,198 1,200 9,202 1,203 1,205 9,208 1,210 3,212 6,213 10,218 8,221 2,223 3,225 4,230 2,233 7,238 3,240 2,241 4,242 1,243 1,245 1,246 12,250 2,253 1,258 10,263 2,264 4,266 1,267 3,268 1,269 1,271 1,272 6,276 2438,277 23.797,278 23.797,279 23.797,280 23.797,281 23.797,282 20.511,283 22.502,284 13.611,285 24.385,286 19.744,287 19.744,288 19.744,289 19.744,290 19.744,291 14.763,292 29.401,293 6.47,294 20.798,295 3.991,296 1.878,297 1,298 0.514,299 0.391,300 0.355,301 4.316,306 1,307 1224,308 4.062,311 197.356,312 364.411,315 166.349,319 2.639,320 52.848,323 1,324 0.67,325 1,326 0.4,328 1,329 1,330 0.72,331 81.5,332 559,333 4.705,334 4.46,335 7.116,336 4.234,337 3.32,338 4.667,339 3.825,340 11.69,341 3.145,342 4.453,343 3.562,344 6.891,345 4.18,346 3.275,347 3.929,348 1.656,349 11.491,350 2.899,351 4.289,352 3.293,353 6.444,354 3.912,355 2.924,356 3.869,357 0.247,358 9.929,359 2.887,360 4.049,361 2.94,362 5.87,363 3.645,364 2.686,365 3.669,367 8.1,368 2.564,369 3.907,370 2.654,371 5.58,372 3.521,373 2.564,374 3.299,376 7.663,377 2.435,378 3.762,379 2.582,380 5.368,381 3.355,382 2.398,383 3.126,385 7.022,386 2.278,387 3.503,388 2.44,389 5.218,390 3.084,391 2.122,392 2.818,394 6.259,395 2.03,396 3.335,397 2.142,398 4.824,399 2.903,400 1.922,401 2.572,403 5.299,404 1.866,405 3.058,406 1.844,407 4.714,408 2.59,409 1.644,410 2.296,412 4.842,413 1.554,414 2.969,415 1.722,416 4.448,417 2.484,418 1.534,419 2.153,421 4.249,422 1.447,423 2.865,424 1.539,425 4.365,426 2.412,427 1.448,428 1.978,430 4.005,431 1.371,432 2.57,433 1.189,434 3.947,435 2.092,436 1.112,437 1.6,439 2.918,440 1.078,441 2.549,442 1.103,443 3.533,444 2.028,445 1.073,446 1.572,448 2.536,449 1.022,450 2.5,451 1,452 3.487,453 2,454 1,455 1.5,457 2.275,458 1,459 2.248,460 0.852,461 3.414,462 1.738,463 0.799,464 1.137,466 1.956,467 0.748,468 16.39,469 0.455,470 1.158,471 0.032,472 51.25,473 1.424,474 27,475 0.75,476 24.25,477 0.674,478 26.335,479 0.732,480 38.21,481 0.695,482 45.178,483 1.255,484 10.517,485 0.292,486 6.668,487 0.185,488 0.128,489 0.031,490 0.354,493 3,496 0.638,497 1.004,498 0.625,499 0.941,500 0.625,501 0.814,502 0.47,503 0.818,504 0.647,505 0.874,506 0.386,507 0.836,508 0.757,509 0.998,510 0.925,511 1.097,512 0.631,513 1.076,514 0.982,515 1.168,516 0.988,517 1.18,518 0.917,519 1.111,520 0.969,521 0.745,522 1.07,523 0.851,524 0.958,525 0.945,526 1.075,527 0.957,528 1.083,529 0.972,530 1.072,531 1.007,532 0.45,533 0.517,534 0.95,535 0.829,536 0.425,537 1.007,538 0.746,539 0.849,540 1,541 1.057,542 0.71,543 1.108,544 9,545 0.234,546 4.667,547 3.069,548 2.162,549 1.344,550 1.009,551 0.477,552 0.404,553 0.298,554 22732,555 79490,556 2.079,557 34.5,559 11,560 1,561 3,562 4,567 1.767,568 1.92,569 3.885,570 1.578,577 98.47,578 1.79,579 3.903,580 4.781,581 5.267,582 5.39,583 5.427,584 3.419,585 4.739,586 5.141,587 4.111,588 2590.09,589 8.996,590 43513.1,595 317.975,596 1.614,597 5.084,598 0.225,599 0.007,600 0.079,601 0.053,602 0.039,603 0.027,604 0.023,605 0.012,606 0.012,607 0.008,608 0.485,610 0.75,611 0.718,612 200.645,613 -0.052,614 -0.045,615 0.017,616 0.014,617 -0.123,618 0.038,619 0.369,620 0.231,621 0.128,622 0.093,623 0.396,624 0.04,625 -0.095,626 -0.132,627 -0.123,628 -0.142,629 -0.024,630 -0.141,631 -0.117,632 -0.239,633 -0.042,634 -0.197,635 -0.065,636 -0.119,637 -0.06,638 0.096,639 -0.072,640 0.049,641 -0.076,642 0.003,643 -0.189,644 -0.083,645 -0.098,646 0.008,647 -0.167,648 0.004,649 0.339,650 0.299,651 0.011,652 0.116,653 0.335,654 -0.014,655 -0.048,656 -0.018,657 -0.054,658 -0.041,659 -0.046,660 -0.044,661 5.75,662 5.268,663 0.722,664 47.469,665 1.034,666 1.148,667 3.501,668 12.26,669 0.684,670 3.714,671 4.094,672 4.357,673 4.635,674 4.828,675 4.949,676 5.147,677 5.252,678 5.338,679 5.442,680 9.116,681 0.686,682 492.51,683 3.714,684 5.293,685 6.155,686 7.057,687 7.935,688 8.837,689 9.724,690 10.627,691 11.519,692 12.423,693 14.5,697 1,700 2,701 2,703 3,708 1,709 12,710 3,714 8,715 1,716 27,727 1,735 55,737 28,738 2,739 40,741 59,742 24,743 21,744 4,745 8,748 5,749 6,753 1,754 1,759 1,762 22,763 2,767 1,772 1,776 1,781 3,783 19,784 10,785 4,786 12,792 8,797 0.8,798 1,807 2,810 1,815 2,816 3,819 1,843 4,847 1,849 3,851 36,852 1,860 2,865 1,873 3,874 1.8,877 1,881 18.75,882 10.179,883 7.583,884 2.936,886 4.955,887 1.578,888 1.041,889 6.063,890 13.53,891 4.016,892 4.687,893 5.305,894 5.946,895 6.462,896 6.864,897 7.382,898 7.842,899 8.199,900 8.63,901 1,902 58,903 13.717,905 6.436,906 8.192,907 24.183,909 19.838,911 2.692,912 96.917,916 176.567,917 157.916,918 121.971,920 25.145,921 44.88,923 157.916,924 201.711,925 166.851,926 8.396,927 36.022,928 117.755,929 112.285,930 98.732,931 16.047,932 129.482,933 7.76,934 176.567,935 279.887,936 70.025,939 176.567,940 70.025,943 77.907,944 151.868,945 50.112,947 221.447,948 147.116,949 157.916,952 184.326,953 29.76,954 123.337,955 36.022,956 153.034,957 176.567,958 191.996,959 157.916,961 0.6,962 0.342,963 0.182,964 0.095,965 30,966 14,967 0.068,968 4,969 1,970 1.077,971 4.682,972 345.504,973 0.077,974 26,975 174.608,981 23.704,982 9.208,983 4.888,984 0.591,985 189.056,986 18.075,987 13.068,991 3.048,992 1.687,993 68.919,994 526.479,995 54.5,1000 12.268,1004 -0.677,1007 56.865,1008 63.121,1009 0.31,1010 0.675,1011 0.827,1012 0.911,1013 0.932,1014 0.939,1015 5.277,1016 1.922,1017 6.188,1018 6.259,1019 4.779,1020 5.375,1021 3.244,1022 7.052,1023 4.68,1024 6.53,1025 1.644,1026 7.788,1027 5.299,1028 4.575,1029 5.293,1030 3.949,1031 8.177,1032 4.356,1033 7.868,1034 1.534,1035 9.493,1036 4.842,1037 6.466,1038 7.646,1039 5.464,1040 11.226,1041 6.254,1042 9.242,1043 1.448,1044 11.261,1045 4.249,1046 7.048,1047 8.369,1048 6.701,1049 13.155,1050 6.71,1051 10.645,1052 1.112,1053 13.071,1054 4.005,1055 8.466,1056 10.215,1057 8.065,1058 15.782,1059 8.115,1060 12.07,1061 1.073,1062 14.91,1063 2.918,1064 9.383,1065 11.327,1066 9.391,1067 18.019,1068 8.918,1069 13.512,1070 1,1071 16.77,1072 2.536,1073 10.635,1074 12.967,1075 10.736,1076 20.519,1077 10.134,1078 3.32,1079 0.799,1080 18.647,1081 2.275,1082 11.699,1083 14.278,1084 12.075,1085 22.877,1086 11.099,1087 3.275,1088 11.69,1089 20.537,1090 1.956,1091 12.894,1092 15.834,1093 13.417,1094 25.337,1095 12.241,1096 2.924,1097 11.491,1098 22.437,1099 4.667,1100 14.022,1101 17.249,1102 14.758,1103 27.743,1104 13.281,1105 2.686,1106 9.929,1107 24.346,1108 3.929,1109 15.202,1110 18.775,1111 16.1,1112 30.191,1113 14.399,1114 2.564,1115 8.1,1116 26.261,1117 3.869,1118 16.359,1119 20.243,1120 17.441,1121 32.62,1122 15.476,1123 2.398,1124 7.663,1125 28.181,1126 3.669,1127 17.537,1128 21.763,1129 18.783,1130 35.065,1131 16.587,1132 2.122,1133 7.022,1134 30.106,1135 3.299,1136 18.708,1137 23.26,1138 20.124,1139 37.503,1140 17.683,1141 21234,1142 39968,1143 26.353,1144 37.642,1145 62.315,1146 61.915,1147 62.716,1148 61.467,1149 61.246,1150 82.628,1151 11.457,1152 184.592,1153 58.175,1154 5.575,1155 6.46,1156 6.662,1157 5.304,1158 5.32,1159 7.667,1160 5.335,1161 19.346,1162 5.145,1163 20.557,1164 1.558,1165 1.548,1166 1.568,1167 1.537,1168 1.531,1169 2.066,1170 0.286,1171 4.615,1172 1.454,1173 4.153,1174 4.204,1175 4.134,1176 4.005,1177 8.513,1178 4.028,1179 3.954,1180 3.988,1181 3.914,1182 3.857,1183 7.999,1184 3.864,1185 3.909,1186 3.953,1187 3.862,1188 3.82,1189 7.999,1190 3.824,1191 3.809,1192 3.869,1193 3.761,1194 3.599,1195 7.431,1196 3.632,1197 3.475,1198 3.52,1199 3.454,1200 3.236,1201 5.243,1202 3.27,1203 3.327,1204 3.381,1205 3.3,1206 3.108,1207 4.958,1208 3.149,1209 3.244,1210 3.295,1211 3.189,1212 2.965,1213 4.791,1214 3.012,1215 3.039,1216 3.137,1217 2.904,1218 2.817,1219 4.747,1220 2.806,1221 0.118,1222 0.112,1223 0.178,1224 0.106,1225 0.083,1226 4.705,1227 0.117,1228 4.46,1229 0.096,1230 7.116,1231 0.292,1232 4.234,1233 0.079,1234 3.32,1235 4.667,1236 3.825,1237 11.69,1238 3.145,1239 1.972,1240 1.944,1241 2.048,1242 2.102,1243 1.164,1244 2.081,1245 1.903,1246 1.877,1247 1.999,1248 2.017,1249 1.098,1250 2.008,1251 1.764,1252 1.729,1253 1.836,1254 1.913,1255 0.968,1256 1.897,1257 1.592,1258 1.546,1259 1.737,1260 1.814,1261 0.79,1262 1.794,1263 1.443,1264 1.35,1265 1.634,1266 1.689,1267 0.681,1268 1.676,1269 1.277,1270 1.231,1271 1.39,1272 1.598,1273 0.35,1274 1.535,1275 1.09,1276 1.039,1277 1.265,1278 1.408,1279 0.265,1280 1.326,1281 1.073,1282 1.019,1283 1.205,1284 1.318,1285 0.252,1286 1.302,1287 4.394,1289 5.759,1290 3.045,1291 7.299,1292 5.352,1293 8.92,1294 7.413,1295 10.585,1297 1.822,1299 38.622,1301 6.375,1305 4.99,1310 -4.5,1314 37.723,1315 98.47,1316 214.691,1317 262.955,1318 289.71,1319 296.465,1320 298.465,1321 74.158,1322 8.575,1323 115.16,1324 115.16,1325 28,1326 12.944,1327 4.858,1328 3.954,1329 54.975,1330 201,1331 176,1332 0.133,1333 227.909,1334 388.14,1335 547.857,1336 76099,1337 5.5,1338 25.449,1339 0.707,1340 0.522,1341 22.949,1342 18.784,1343 17.186,1344 0.43,1345 0.266,1346 10.427,1347 16.259,1348 10.263,1349 8.481,1350 15.974,1351 10.658,1352 16.801,1353 0.285,1354 0.135,1355 14.843,1356 7.988,1357 13.434,1358 0.174,1359 0.071,1360 12.471,1361 5.481,1362 11.445,1363 0.112,1364 0.037,1365 10.927,1366 3.735,1367 8.861,1368 0.071,1369 0.019,1370 8.221,1371 2.362,1372 0.217,1373 109.643,1374 0.195,1375 33.643,1376 0.342,1377 198,1378 784.272,1379 232.301,1380 684.184,1381 914.41,1382 634,1383 235,1384 672.082,1385 263.901,1386 660.825,1387 983.39,1388 619,1389 6.3}
{0 CHEMBL1988838,1 1.831,2 13.233,3 2.577,4 6.64,5 112.858,6 8.57,7 0.563,8 4.031,9 4.141,10 3.832,11 3.553,12 5.24,13 3.545,14 4.507,15 4.642,16 4.092,17 3.884,18 6.003,19 3.869,20 4.719,21 4.879,22 4.08,23 3.974,24 6.04,25 3.94,26 4.761,27 4.978,28 3.97,29 3.929,30 5.928,31 3.873,32 4.683,33 4.899,34 3.963,35 3.917,36 5.914,37 3.861,38 4.656,39 4.851,40 3.916,41 3.884,42 5.873,43 3.833,44 4.661,45 4.898,46 3.855,47 3.82,48 5.894,49 3.736,50 4.505,51 4.731,52 3.754,53 3.71,54 5.633,55 3.633,56 0.194,57 0.806,58 11.113,59 4.266,60 28.693,61 4.674,62 0.54,63 1.168,64 17.988,65 7.322,66 85.611,67 8.416,68 0.7,69 1.352,70 23.411,71 8.154,72 77.463,73 9.356,74 0.696,75 1.365,76 26.912,77 8.114,78 70.29,79 10.399,80 0.591,81 1.297,82 24.794,83 8.146,84 58.049,85 10.748,86 0.543,87 1.268,88 21.75,89 7.154,90 65.583,91 9.309,92 0.685,93 1.209,94 24.124,95 7.839,96 75.361,97 10.742,98 0.433,99 1.041,100 21.572,101 7.204,102 42.638,103 9.551,104 43,105 45,106 0.305,107 0.648,108 0.782,109 0.862,110 0.871,111 0.871,112 3.44,113 0.963,114 -2.26,115 -2.3,116 -2.26,119 38,120 1,125 1,142 8,143 1,144 4,145 1,147 1,150 1,158 1,163 2,164 2,165 2,172 5,174 2,175 4,177 3,178 6,180 5,183 5,187 1,188 8,190 1,191 1,193 6,196 3,198 2,200 8,203 1,204 1,205 3,208 2,210 1,213 8,216 3,217 1,218 4,220 1,221 4,223 3,225 6,230 6,233 4,235 2,237 5,238 3,240 2,241 2,243 3,246 3,250 1,253 1,254 1,255 1,257 1,258 6,263 1,264 2,267 3,268 1,269 1,271 1,272 7,274 1,276 1640,277 19.436,278 19.436,279 19.436,280 19.436,281 19.436,282 16.704,283 28.574,284 11.418,285 19.921,286 15.818,287 15.818,288 15.818,289 15.818,290 15.818,291 11.68,292 45.114,293 5.499,294 16.656,295 3.813,296 1.753,297 0.95,298 0.47,299 0.415,300 0.415,301 4.118,305 1,306 1,307 827,308 4.062,312 324.926,319 2.316,320 41.062,323 0.75,324 0.67,325 0.83,326 0.5,328 0.67,329 0.5,330 0.56,331 67,332 397,333 4.805,334 4.662,335 7.116,336 4.236,337 3.32,338 4.665,339 2.014,340 11.69,341 3.009,342 4.28,343 3.55,344 6.117,345 3.865,346 2.92,347 3.922,348 0.878,349 9,350 2.764,351 4.023,352 3.085,353 5.555,354 3.597,355 2.643,356 3.619,357 0.4,358 7.609,359 2.522,360 3.895,361 2.857,362 5.463,363 3.479,364 2.517,365 3.429,366 0.4,367 7.269,368 2.422,369 3.587,370 2.721,371 5.133,372 3.244,373 2.265,374 2.86,376 6.378,377 2.218,378 3.476,379 2.413,380 5.019,381 3.05,382 2.083,383 2.747,385 5.945,386 1.99,387 3.374,388 2.151,389 4.603,390 2.965,391 2,392 2.617,394 5.029,395 1.914,396 2.982,397 1.617,398 4.469,399 2.488,400 1.509,401 2.163,403 4.328,404 1.474,405 2.826,406 1.589,407 4.167,408 2.357,409 1.421,410 1.956,412 3.755,413 1.326,414 2.613,415 1.396,416 3.491,417 2.108,418 1.113,419 1.657,421 2.542,422 1.105,423 2.5,424 1.177,425 3.414,426 2,427 1,428 1.5,430 2.275,431 1,432 1.884,433 1,434 3.113,435 1.565,436 0.666,437 0.765,439 1.492,440 0.589,441 1.599,442 0.607,443 2.99,444 1.27,445 0.339,446 0.41,448 0.804,449 0.315,450 1.299,451 0.422,452 2.835,453 0.968,454 0.037,455 0.045,457 0.1,458 0.034,459 1,460 0.172,461 2.717,462 0.626,463 -0.324,464 -0.397,466 -0.783,467 -0.305,468 14.067,469 0.469,470 0.969,471 0.032,472 43.5,473 1.45,474 24,475 0.8,476 19.5,477 0.65,478 21.096,479 0.703,480 32.733,481 0.655,482 34.889,483 1.163,484 8.688,485 0.29,486 5.514,487 0.184,488 0.164,489 0.059,490 0.284,496 0.768,497 1.309,498 0.82,499 1.174,500 0.807,501 0.87,502 0.671,503 1.068,504 0.866,505 1.072,506 0.468,507 0.956,508 1.207,509 1.269,510 1.121,511 1.097,512 1.085,513 1.122,514 1.084,515 0.981,516 0.977,517 0.879,518 0.851,519 0.965,520 0.679,521 1.004,522 0.853,523 0.91,524 0.644,525 0.92,526 1.04,527 1.191,528 0.941,529 1.003,530 1.013,531 1.106,532 0.595,533 0.851,534 0.775,535 0.808,536 0.561,537 0.95,538 0.66,539 0.987,540 0.824,541 1.006,542 0.522,543 0.975,544 8.5,545 0.219,546 3.111,547 1.688,548 1.676,549 0.972,550 0.707,551 0.547,552 0.329,553 0.268,554 12270,555 44360,556 1.985,557 40,558 3,559 10,561 1,562 6,567 1.725,568 1.827,569 3.676,570 3.356,571 1,572 1,577 91.534,578 1.831,579 3.891,580 4.694,581 5.174,582 5.229,583 5.229,584 3.099,585 4.415,586 4.874,587 3.885,588 1690.03,589 8.487,590 24653.4,592 1,594 1,595 282.193,596 1.636,597 4.812,598 0.266,599 0.008,600 0.069,601 0.039,602 0.044,603 0.024,604 0.02,605 0.017,606 0.011,607 0.01,608 0.508,609 0.17,610 0.88,611 1.216,612 157.309,613 -0.067,614 -0.061,615 0.158,616 -0.021,617 -0.223,618 0.071,619 0.239,620 0.044,621 0.031,622 -0.042,623 0.326,624 -0.016,625 -0.171,626 -0.218,627 -0.222,628 -0.132,629 -0.13,630 -0.2,631 -0.183,632 0.018,633 -0.074,634 0.022,635 -0.11,636 -0.008,637 0.065,638 0.008,639 0.036,640 0.024,641 0.063,642 0.072,643 -0.199,644 -0.171,645 -0.127,646 -0.111,647 -0.184,648 -0.155,649 0.181,650 0.117,651 0.106,652 0.078,653 0.119,654 0.045,655 0.074,656 -0.023,657 0.124,658 -0.026,659 0.08,660 0.059,661 4.731,662 4.515,663 0.6,664 34.933,665 1.024,666 1.133,667 1.029,668 1.059,669 0.677,670 3.497,671 3.829,672 3.97,673 4.159,674 4.419,675 4.394,676 4.522,677 4.615,678 4.71,679 4.771,680 7.835,681 0.657,682 428.52,683 3.497,684 5.043,685 5.855,686 6.723,687 7.556,688 8.422,689 9.265,690 10.13,691 10.979,692 11.843,693 12,697 1,700 1,701 2,703 2,709 9,710 2,714 7,716 18,728 2,733 1,735 50,737 21,738 2,739 32,741 52,742 19,743 16,744 4,745 8,748 3,749 3,754 1,762 17,763 2,767 3,770 1,772 3,776 1,780 1,783 20,784 10,785 6,786 11,787 1,792 6,797 1,798 4,810 1,816 3,828 1,843 3,845 1,847 1,851 30,852 2,855 1,858 1,860 2,861 1,874 8,877 3,879 1,881 16.417,882 8.9,883 6.444,884 2.501,886 3.564,887 1.479,888 0.991,889 6.644,890 11.01,891 3.807,892 4.437,893 4.858,894 5.368,895 5.939,896 6.043,897 6.423,898 6.758,899 7.156,900 7.501,901 0.889,902 43,903 11.235,905 4.966,906 8.142,907 20.217,909 16.071,911 2.642,912 79.25,915 1,916 164.795,917 128.507,918 133.781,920 80.458,922 5.807,923 122.7,924 245.253,925 133.781,926 8.825,927 37.49,928 112.909,929 119.505,930 71.562,931 4.227,932 153.024,934 164.795,935 256.481,936 80.458,937 5.807,939 164.795,940 80.458,943 93.283,944 129.627,945 39.378,947 164.795,948 214.239,949 128.507,951 5.807,952 164.795,953 29.017,954 93.683,955 36.022,956 178.217,957 164.795,958 214.239,959 128.507,961 0.59,962 0.31,963 0.15,964 0.092,965 20,966 10,967 0.154,968 8,970 1,971 4.143,972 250.494,974 18,975 141.207,980 1,981 21.677,982 9.195,983 6.234,985 214.239,986 14.593,987 8.646,991 3.343,993 100.21,994 507.542,995 44,998 -3.815,1000 33.807,1004 -0.552,1007 51.182,1008 56.654,1009 0.324,1010 0.689,1011 0.832,1012 0.917,1013 0.926,1014 0.926,1015 5.04,1016 1.509,1017 5.878,1018 5.029,1019 4.511,1020 5.124,1021 2.304,1022 6.671,1023 4.407,1024 6.287,1025 1.421,1026 7.438,1027 4.328,1028 4.29,1029 5.19,1030 1.593,1031 7.751,1032 4.113,1033 7.629,1034 1.113,1035 9.105,1036 3.755,1037 6.146,1038 7.403,1039 3.237,1040 10.699,1041 5.909,1042 9.007,1043 1,1044 10.838,1045 2.542,1046 6.673,1047 8.229,1048 3.158,1049 12.598,1050 6.333,1051 10.416,1052 0.666,1053 12.617,1054 2.275,1055 8.084,1056 10.007,1057 4.451,1058 15.168,1059 7.686,1060 11.849,1061 0.339,1062 14.43,1063 1.492,1064 8.949,1065 11.185,1066 4.687,1067 17.402,1068 8.432,1069 13.301,1070 0.037,1071 16.27,1072 0.804,1073 10.196,1074 12.801,1075 5.756,1076 19.873,1077 9.613,1078 3.32,1079 -0.324,1080 18.131,1081 0.1,1082 11.224,1083 14.153,1084 6.17,1085 22.241,1086 10.518,1087 2.92,1088 11.69,1089 20.011,1090 -0.783,1091 12.413,1092 15.707,1093 7.101,1094 24.691,1095 11.629,1096 2.643,1097 9,1098 21.906,1099 4.665,1100 13.52,1101 17.147,1102 7.621,1103 27.111,1104 12.615,1105 2.517,1106 7.609,1107 23.812,1108 3.922,1109 14.694,1110 18.679,1111 8.466,1112 29.56,1113 13.699,1114 2.265,1115 7.269,1116 25.729,1117 3.619,1118 15.839,1119 20.164,1120 9.053,1121 32.001,1122 14.728,1123 2.083,1124 6.378,1125 27.654,1126 3.429,1127 17.013,1128 21.692,1129 9.844,1130 34.453,1131 15.804,1132 2,1133 5.945,1134 29.586,1135 2.86,1136 18.179,1137 23.2,1138 10.473,1139 36.903,1140 16.858,1141 12134,1142 23241,1143 20.572,1144 33.83,1145 47.936,1146 49.37,1147 48.225,1148 47.61,1149 47.666,1150 64.713,1151 7.385,1152 136.435,1153 45.362,1154 5.625,1155 6.662,1156 6.662,1157 5.312,1158 5.32,1159 7.665,1160 3.615,1161 18.669,1162 5.009,1163 18.383,1164 1.498,1165 1.543,1166 1.507,1167 1.488,1168 1.49,1169 2.022,1170 0.231,1171 4.264,1172 1.418,1173 4.072,1174 4.07,1175 4.728,1176 4.052,1177 7.726,1178 3.971,1179 3.95,1180 3.973,1181 3.925,1182 3.848,1183 7.437,1184 3.851,1185 3.817,1186 3.85,1187 3.792,1188 3.682,1189 6.999,1190 3.692,1191 3.625,1192 3.624,1193 3.67,1194 3.535,1195 5.025,1196 3.465,1197 3.559,1198 3.598,1199 3.478,1200 3.295,1201 4.902,1202 3.334,1203 3.189,1204 3.274,1205 3.076,1206 2.975,1207 4.828,1208 2.987,1209 3.069,1210 3.141,1211 2.97,1212 2.827,1213 4.809,1214 2.854,1215 2.869,1216 2.957,1217 2.696,1218 2.735,1219 4.663,1220 2.715,1221 0.15,1222 0.146,1223 0.222,1224 0.132,1225 0.104,1226 4.805,1227 0.146,1228 4.662,1229 0.063,1230 7.116,1231 0.365,1232 4.236,1233 0.094,1234 3.32,1235 4.665,1236 2.014,1237 11.69,1238 3.009,1239 1.96,1240 1.963,1241 2.007,1242 2.064,1243 1.153,1244 2.074,1245 1.897,1246 1.871,1247 1.981,1248 2.007,1249 1.079,1250 2.015,1251 1.754,1252 1.716,1253 1.867,1254 1.907,1255 0.947,1256 1.902,1257 1.456,1258 1.481,1259 1.635,1260 1.733,1261 0.716,1262 1.704,1263 1.436,1264 1.399,1265 1.431,1266 1.644,1267 0.533,1268 1.681,1269 1.147,1270 1.063,1271 1.276,1272 1.411,1273 0.398,1274 1.43,1275 0.973,1276 0.91,1277 1.191,1278 1.278,1279 0.237,1280 1.253,1281 0.886,1282 0.821,1283 1.181,1284 1.122,1285 0.218,1286 1.138,1287 4.174,1289 5.501,1291 7,1293 8.576,1295 10.191,1297 1.845,1301 10.22,1303 -0.195,1305 6.132,1306 5.226,1314 32.862,1315 91.534,1316 194.544,1317 234.683,1318 258.683,1319 261.438,1320 261.438,1321 64.63,1322 7.446,1323 162.32,1324 170.7,1325 18,1326 12.393,1327 4.459,1328 3.7,1329 55.557,1330 139,1331 150,1332 0.191,1333 209.452,1334 360.75,1335 502.824,1336 18313,1338 21.725,1339 0.724,1340 0.56,1341 21.975,1342 16.81,1343 14.203,1344 0.444,1345 0.321,1346 8.701,1347 12.804,1348 8.36,1349 6.981,1350 15.097,1351 10.269,1352 13.841,1353 0.308,1354 0.175,1355 15.229,1356 7.889,1357 9.9,1358 0.19,1359 0.092,1360 10.643,1361 4.8,1362 7.571,1363 0.12,1364 0.048,1365 8.099,1366 2.994,1367 6.623,1368 0.081,1369 0.025,1370 7.11,1371 2.074,1372 0.308,1373 98.862,1374 0.22,1375 28.873,1376 0.502,1377 154,1378 538.383,1379 207.429,1380 539.986,1381 716.87,1382 494,1383 174,1384 494.053,1385 231.918,1386 534.94,1387 764.51,1388 497,1389 5.7}
{0 CHEMBL1988995,1 1.785,2 9.25,3 4.651,4 21.632,5 98.081,6 9.057,7 0.781,8 3.913,9 4.019,10 3.648,11 3.431,12 5.17,13 3.47,14 4.422,15 4.567,16 4.07,17 3.823,18 5.685,19 3.862,20 4.6,21 4.783,22 4.096,23 3.878,24 5.878,25 3.91,26 4.636,27 4.844,28 4.093,29 3.86,30 6.034,31 3.895,32 4.563,33 4.737,34 4.038,35 3.873,36 5.805,37 3.894,38 4.569,39 4.723,40 4.066,41 3.888,42 5.92,43 3.896,44 4.611,45 4.808,46 3.964,47 3.816,48 5.862,49 3.814,50 4.491,51 4.708,52 3.799,53 3.641,54 5.806,55 3.635,56 0.18,57 0.842,58 5.319,59 3.434,60 8.503,61 3.553,62 0.43,63 1.342,64 11.713,65 5.675,66 21.096,67 6.329,68 0.598,69 1.572,70 16.756,71 6.756,72 49.325,73 7.413,74 0.872,75 1.676,76 19.074,77 5.937,78 89.722,79 6.539,80 0.593,81 1.454,82 14.415,83 5.703,84 40.434,85 5.971,86 0.683,87 1.472,88 14.154,89 6.758,90 39.322,91 7.335,92 0.698,93 1.49,94 18.536,95 7.401,96 43.619,97 8.484,98 0.756,99 1.281,100 18.011,101 6.331,102 57.177,103 7.553,104 18,105 48,106 0.304,107 0.672,108 0.792,109 0.848,110 0.848,111 0.848,112 3.376,113 0.812,114 -6.07,115 -5.91,116 -5.5,119 45.2,120 2,122 1,142 5,143 1,144 2,146 2,151 2,152 1,161 2,162 1,166 2,172 5,174 5,175 6,183 4,187 3,188 13,196 1,199 2,200 12,208 2,212 2,213 7,221 5,224 3,225 7,233 5,237 2,238 7,246 3,249 2,250 5,258 3,264 6,272 4,276 1224,277 18.947,278 18.947,279 18.947,280 18.947,281 18.947,282 16.112,283 8.106,284 10.767,285 19.373,286 15.792,287 15.792,288 15.792,289 15.792,290 15.792,291 11.431,292 4.928,293 5.082,294 16.579,295 3.608,296 1.45,297 0.741,298 0.417,299 0.417,300 0.417,301 4.083,305 1,306 1,307 575,308 2.915,311 169.927,312 131.709,314 93.34,315 94.582,319 1.357,320 38.158,323 0.75,324 0.83,325 1,326 0.4,328 1,329 1,330 0.71,331 63,332 259,333 4.761,334 3.397,335 7.053,336 4.306,337 3.353,338 4.708,340 12.173,341 3.197,342 4.553,343 3.244,344 6.668,345 4.065,346 3.122,347 4.486,349 10.709,350 2.944,351 4.231,352 3.089,353 6.284,354 3.776,355 2.823,356 3.916,358 9.333,359 2.68,360 3.827,361 2.69,362 5.778,363 3.418,364 2.452,365 3.324,367 7.784,368 2.364,369 3.593,370 2.537,371 5.512,372 3.207,373 2.251,374 2.964,376 6.82,377 2.148,378 3.481,379 2.291,380 5.208,381 3.091,382 2.144,383 2.802,385 6.304,386 2.014,387 3.106,388 2.054,389 4.772,390 2.631,391 1.708,392 2.347,394 4.873,395 1.559,396 2.954,397 1.466,398 4.606,399 2.412,400 1.461,401 2.177,403 4.433,404 1.393,405 2.81,406 1.424,407 4.347,408 2.38,409 1.414,410 1.926,412 3.806,413 1.356,414 2.748,415 1.365,416 4.033,417 2.254,418 1.283,419 1.858,421 3.268,422 1.238,423 2.469,424 1.061,425 3.676,426 2.022,427 1.059,428 1.457,430 2.601,431 1.017,432 2.438,433 0.987,434 3.446,435 1.929,436 0.957,437 1.409,439 2.258,440 0.927,441 1.966,442 0.576,443 3.324,444 1.517,445 0.556,446 0.769,448 1.388,449 0.533,450 1.674,451 0.379,452 3.142,453 1.175,454 0.222,455 0.315,457 0.619,458 0.21,459 1.285,460 0.235,461 2.742,462 0.868,463 -0.047,464 -0.061,466 -0.116,467 -0.042,468 12.805,469 0.457,470 0.819,471 0.029,472 39.5,473 1.411,474 20,475 0.714,476 19.5,477 0.696,478 21.606,479 0.772,480 29.195,481 0.695,482 30.367,483 1.085,484 7.768,485 0.277,486 5.757,487 0.206,488 0.123,490 0.453,494 2,496 0.614,497 1.047,498 0.567,499 1.05,500 0.528,501 0.87,502 0.656,503 1.031,504 0.585,505 0.951,506 0.552,507 0.808,508 1.003,509 1.141,510 0.85,511 0.984,512 0.961,513 0.889,514 0.959,515 0.823,516 0.924,517 0.668,518 0.78,519 0.707,520 0.916,521 0.892,522 1.029,523 0.923,524 0.766,525 0.962,526 0.729,527 0.942,528 0.924,529 1.143,530 0.628,531 1.131,532 0.952,533 0.999,534 0.967,535 1.09,536 0.941,537 1.065,538 0.897,539 0.961,540 0.961,541 0.944,542 0.917,543 0.961,544 5.5,545 0.095,546 3.778,547 2.514,548 1.887,549 1.136,550 0.648,551 0.687,552 0.43,553 0.235,554 9067,555 29502,556 2.155,557 33.3,558 6,559 5,560 2,563 1,567 1.718,568 2,569 3.185,570 -0.671,577 74.954,578 1.785,579 3.942,580 4.651,581 4.975,582 4.975,583 4.975,584 2.66,585 4.423,586 4.78,587 3.323,588 1255.93,589 8.353,590 15753.7,592 1,595 226.477,596 1.449,597 4.733,598 0.172,599 0.009,600 0.079,601 0.052,602 0.04,603 0.025,604 0.014,605 0.017,606 0.013,607 0.011,608 0.432,609 0.33,610 0.75,611 0.744,612 136.75,613 0.004,614 -0.11,615 0.063,616 -0.111,617 -0.037,618 -0.039,619 0.072,620 -0.123,621 0.186,622 -0.015,623 0.047,624 0.076,625 -0.109,626 -0.156,627 0.049,628 -0.037,629 -0.069,630 0.036,631 -0.037,632 0.163,633 0.018,634 0.221,635 0.12,636 0.188,637 -0.129,638 0.026,639 -0.209,640 -0.032,641 -0.108,642 -0.1,643 0.142,644 -0.015,645 -0.089,646 -0.182,647 0.103,648 -0.221,649 -0.001,650 -0.074,651 0.016,652 -0.101,653 -0.043,654 -0.065,655 0.106,656 -0.015,657 0.09,658 0.04,659 0.086,660 0.06,661 2.379,662 6.474,663 0.821,664 22.102,665 1.033,666 1.142,667 4.836,668 23.391,669 0.695,670 3.497,671 3.892,672 4.248,673 4.605,674 4.836,675 5.05,676 5.242,677 5.429,678 5.572,679 5.656,680 5.634,681 0.696,682 380.39,683 3.497,684 5.081,685 5.979,686 6.903,687 7.82,688 8.75,689 9.674,690 10.607,691 11.536,692 12.471,693 14.3,701 2,703 4,708 2,709 7,710 4,712 1,714 7,716 25,734 2,735 42,737 25,738 1,739 32,741 46,742 19,743 16,744 3,745 3,748 5,749 7,754 2,762 16,763 3,764 1,780 1,781 2,783 14,784 7,786 9,789 1,792 6,797 0.6,798 1,802 1,808 1,815 3,816 2,818 1,819 1,843 3,847 2,849 2,851 28,863 1,871 1,873 2,874 2.4,879 1,881 14,882 8.569,883 5.917,884 2.599,886 4.983,887 1.609,888 1.048,889 3.779,890 13.161,891 3.818,892 4.551,893 5.276,894 5.991,895 6.547,896 7.069,897 7.618,898 8.126,899 8.597,900 9.034,901 1,902 48,903 10.375,905 4.673,906 7.994,907 19.167,909 16.09,911 2.494,912 69.833,915 1,916 164.795,917 123.538,918 69.225,920 9.507,921 29.92,923 123.538,924 174.303,925 99.145,926 17.65,928 68.168,929 70.818,930 42.877,931 56.219,932 141.253,934 164.795,935 192.763,936 39.428,939 194.716,940 9.507,943 33.636,944 92.353,945 66.775,947 194.716,948 78.732,949 123.538,952 164.795,953 37.72,954 88.269,956 106.202,957 164.795,958 108.653,959 123.538,961 0.599,962 0.361,963 0.206,964 0.109,965 27,966 12,967 0.065,968 3,969 2,970 1.174,971 3.838,972 271.031,973 0.174,974 23,975 132.606,981 17.026,982 6.215,983 2.643,984 0.887,985 106.202,986 10.065,987 17.352,989 5.376,991 0.861,994 396.986,995 44.5,1007 43.382,1008 47.955,1009 0.331,1010 0.731,1011 0.863,1012 0.923,1013 0.923,1014 0.923,1015 5.077,1016 1.461,1017 5.999,1018 4.873,1019 4.575,1020 5.239,1022 6.895,1023 4.477,1024 6.339,1025 1.414,1026 7.609,1027 4.433,1028 4.29,1029 5.207,1031 7.945,1032 4.118,1033 7.688,1034 1.283,1035 9.319,1036 3.806,1037 6.248,1038 7.606,1040 11.103,1041 6.052,1042 9.078,1043 1.059,1044 11.088,1045 3.268,1046 6.792,1047 8.435,1049 12.999,1050 6.521,1051 10.502,1052 0.957,1053 12.894,1054 2.601,1055 8.239,1056 10.293,1058 15.683,1059 7.942,1060 11.95,1061 0.556,1062 14.726,1063 2.258,1064 9.143,1065 11.508,1067 17.919,1068 8.777,1069 13.417,1070 0.222,1071 16.579,1072 1.388,1073 10.409,1074 13.159,1076 20.454,1077 10.007,1078 3.353,1079 -0.047,1080 18.446,1081 0.619,1082 11.47,1083 14.548,1085 22.828,1086 11.006,1087 3.122,1088 12.173,1089 20.325,1090 -0.116,1091 12.673,1092 16.12,1094 25.317,1095 12.168,1096 2.823,1097 10.709,1098 22.213,1099 4.708,1100 13.802,1101 17.585,1103 27.751,1104 13.241,1105 2.452,1106 9.333,1107 24.109,1108 4.486,1109 14.987,1110 19.128,1112 30.229,1113 14.382,1114 2.251,1115 7.784,1116 26.011,1117 3.916,1118 16.147,1119 20.628,1121 32.689,1122 15.489,1123 2.144,1124 6.82,1125 27.919,1126 3.324,1127 17.329,1128 22.161,1130 35.168,1131 16.625,1132 1.708,1133 6.304,1134 29.831,1135 2.964,1136 18.504,1137 23.677,1139 37.641,1140 17.75,1141 8484,1142 15505,1143 21.501,1144 29.171,1145 50.284,1146 50.259,1147 51.698,1148 49.766,1149 49.612,1150 68.92,1152 152.738,1153 47.162,1154 5.472,1155 5.397,1156 6.541,1157 5.366,1158 5.353,1159 7.708,1161 19.698,1162 5.197,1163 13.68,1164 1.571,1165 1.571,1166 1.616,1167 1.555,1168 1.55,1169 2.154,1171 4.773,1172 1.474,1173 4.196,1174 4.239,1175 4.182,1176 4.015,1177 8.211,1178 4.05,1179 4.028,1180 4.082,1181 4.009,1182 3.83,1183 8.191,1184 3.861,1185 3.863,1186 3.888,1187 3.831,1188 3.72,1189 5.278,1190 3.748,1191 3.574,1192 3.638,1193 3.438,1194 3.45,1195 5.172,1196 3.438,1197 3.267,1198 3.312,1199 3.199,1200 3.099,1201 4.573,1202 3.118,1203 3.087,1204 3.146,1205 3.02,1206 2.9,1207 4.468,1208 2.92,1209 2.901,1210 3.009,1211 2.837,1212 2.733,1213 4.174,1214 2.735,1215 2.874,1216 2.958,1217 2.726,1218 2.618,1219 4.147,1220 2.626,1221 0.149,1222 0.106,1223 0.22,1224 0.135,1225 0.105,1226 4.761,1227 0.147,1228 3.397,1230 7.053,1231 0.38,1232 4.306,1233 0.1,1234 3.353,1235 4.708,1237 12.173,1238 3.197,1239 1.928,1240 1.901,1241 1.995,1242 2.083,1243 1.174,1244 2.052,1245 1.842,1246 1.804,1247 1.949,1248 1.974,1249 1.097,1250 1.963,1251 1.658,1252 1.599,1253 1.858,1254 1.833,1255 0.955,1256 1.848,1257 1.501,1258 1.445,1259 1.615,1260 1.724,1261 0.714,1262 1.688,1263 1.313,1264 1.298,1265 1.417,1266 1.634,1267 0.469,1268 1.558,1269 1.155,1270 1.126,1271 1.353,1272 1.351,1273 0.364,1274 1.312,1275 0.988,1276 0.895,1277 1.254,1278 1.3,1279 0.265,1280 1.308,1281 0.934,1282 0.805,1283 1.131,1284 1.239,1285 0.188,1286 1.268,1287 4.174,1289 5.549,1290 3.434,1291 7.109,1292 5.82,1293 8.76,1294 7.941,1295 10.464,1297 3.995,1299 27.851,1308 0.117,1314 29.244,1315 74.954,1316 165.565,1317 195.358,1318 208.968,1319 208.968,1320 208.968,1321 49.952,1322 8.178,1323 73.52,1324 73.52,1325 27,1326 12.971,1327 4.7,1328 3.755,1329 37.346,1330 91,1331 102,1332 0.197,1333 173.942,1334 281.49,1335 416.179,1336 40356,1337 4.8,1338 19.413,1339 0.693,1340 0.535,1341 17.673,1342 14.966,1343 13.525,1344 0.423,1345 0.271,1346 8.481,1347 12.75,1348 8.31,1349 6.874,1350 12.72,1351 8.664,1352 12.873,1353 0.268,1354 0.139,1355 11.712,1356 6.69,1357 11.239,1358 0.163,1359 0.065,1360 10.447,1361 4.494,1362 10.156,1363 0.103,1364 0.032,1365 9.44,1366 3.192,1367 7.896,1368 0.063,1369 0.017,1370 7.527,1371 2.069,1372 0.298,1373 86.589,1374 0.216,1375 25.919,1376 0.581,1377 160,1378 611.828,1379 184.637,1380 537.154,1381 738.59,1382 502,1383 197,1384 570.053,1385 223.626,1386 555.639,1387 826.55,1388 524,1389 5.1}
{0 CHEMBL1989029,1 1.588,2 7.9,3 2.985,4 8.913,5 77.838,6 7.695,7 0.5,8 3.678,9 3.788,10 3.271,11 3.203,12 4.853,13 3.201,14 4.16,15 4.313,16 3.63,17 3.563,18 5.307,19 3.549,20 4.327,21 4.506,22 3.574,23 3.584,24 5.471,25 3.546,26 4.305,27 4.523,28 3.458,29 3.547,30 5.358,31 3.479,32 4.202,33 4.395,34 3.464,35 3.477,36 5.294,37 3.439,38 4.284,39 4.481,40 3.466,41 3.419,42 5.506,43 3.385,44 4.212,45 4.451,46 3.146,47 3.266,48 5.293,49 3.192,50 3.996,51 4.236,52 2.849,53 3.107,54 4.993,55 2.99,56 0.073,57 0.518,58 6.862,59 3.108,60 9.447,61 3.81,62 0.193,63 0.79,64 12.395,65 4.959,66 18.001,67 6.462,68 0.334,69 0.85,70 16.187,71 5.837,72 31.426,73 7.448,74 0.317,75 0.859,76 16.264,77 5.59,78 31.19,79 7.732,80 0.161,81 0.81,82 13.687,83 4.744,84 19.657,85 6.424,86 0.346,87 0.827,88 15.642,89 4.963,90 34.742,91 6.552,92 0.303,93 0.694,94 16.178,95 5.045,96 41.849,97 6.729,98 0.194,99 0.591,100 12.418,101 4.128,102 23.968,103 5.707,104 12,105 31,106 0.29,107 0.691,108 0.793,109 0.835,110 0.845,111 0.845,112 3.059,113 0.878,114 -3.66,115 -3.63,116 -3.46,119 42.9,120 2,127 1,135 1,136 1,142 4,143 2,144 1,147 1,153 1,154 1,168 1,172 7,174 1,175 7,179 1,180 2,183 8,188 5,191 2,193 2,196 6,200 6,203 1,205 2,208 6,213 2,218 4,221 5,224 2,225 2,228 2,230 4,233 3,238 4,243 4,246 2,250 4,255 2,258 2,272 4,276 462,277 13.43,278 13.43,279 13.43,280 13.43,281 13.43,282 11.754,283 15.478,284 7.919,285 13.75,286 10.87,287 10.87,288 10.87,289 10.87,290 10.87,291 8.319,292 19.632,293 3.758,294 11.388,295 3.542,296 1.347,297 0.786,298 0.557,299 0.5,300 0.5,301 3.735,304 1,305 1,306 1,307 338,308 2.828,311 90.564,312 48.045,315 72.601,319 1.03,320 16.546,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 43.5,332 158,333 4.511,334 3.286,335 6.588,336 4.106,337 3.13,338 4.184,339 0.86,340 10.487,341 3.062,342 4.325,343 3.131,344 6.425,345 3.915,346 2.958,347 3.971,348 0.6,349 9.876,350 2.82,351 3.464,352 2.64,353 5.152,354 3.137,355 2.225,356 2.763,358 6.141,359 2.026,360 3.312,361 2.054,362 5.053,363 2.966,364 1.984,365 2.439,367 5.778,368 1.937,369 3.032,370 1.92,371 4.412,372 2.534,373 1.625,374 2.195,376 4.246,377 1.501,378 2.853,379 1.808,380 4.214,381 2.518,382 1.546,383 1.905,385 3.804,386 1.466,387 2.736,388 1.31,389 3.942,390 2.268,391 1.285,392 1.812,394 3.195,395 1.261,396 2.564,397 1.226,398 3.577,399 2.055,400 1.076,401 1.528,403 2.652,404 1.051,405 2.27,406 0.818,407 3.153,408 1.582,409 0.621,410 0.972,412 1.445,413 0.595,414 1.328,415 0.53,416 2.824,417 1.093,418 0.167,419 0.185,421 0.402,422 0.152,423 0.935,424 -0.228,425 2.456,426 0.506,427 -0.434,428 -0.543,430 -1.179,431 -0.406,432 0.616,433 -0.41,434 2,435 0.169,436 -0.751,437 -0.948,439 -1.84,440 -0.67,441 0.501,442 -0.79,443 2,444 0.132,445 -0.845,446 -1,448 -2,449 -0.836,450 0.281,451 -0.888,452 2,454 -1,455 -1.149,457 -2.069,458 -1,460 -1,461 1.688,462 -0.121,463 -1.07,464 -1.432,466 -2.781,467 -1.018,468 9.367,469 0.468,470 0.524,471 0.026,472 27.25,473 1.363,474 14.5,475 0.725,476 12.75,477 0.638,478 13.828,479 0.691,480 21.233,481 0.607,482 17.598,483 0.88,484 5.355,485 0.268,486 4.293,487 0.215,488 0.142,490 0.374,496 0.898,497 1.099,498 0.773,499 1.001,500 0.99,501 0.889,502 0.802,503 1.093,504 0.739,505 0.971,506 0.623,507 0.867,508 1.293,509 0.997,510 1.008,511 0.966,512 1.011,513 0.957,514 0.871,515 0.96,516 0.943,517 0.887,518 0.822,519 0.912,520 1.056,521 1.217,522 1.01,523 1.094,524 0.957,525 1.035,526 1.267,527 1.083,528 1.146,529 1.141,530 1.347,531 1.121,532 1.542,533 0.898,534 1.078,535 0.862,536 1.923,537 0.893,538 1.158,539 1.074,540 1.215,541 1.106,542 1.122,543 1.16,544 4,545 0.025,546 2.444,547 1.583,548 0.732,549 0.695,550 0.372,551 0.182,552 0.175,553 0.044,554 3598,555 9718,556 2.077,557 42.9,559 6,561 1,562 2,564 6,567 1.621,568 1.935,569 2.979,570 0.361,572 1,574 1,577 55.563,578 1.588,579 3.782,580 4.343,581 4.572,582 4.629,583 4.629,584 2.364,585 4.022,586 4.296,587 3.103,588 589.628,589 7.354,590 5963.88,591 1,592 1,593 1,594 1,595 179.525,596 1.441,597 4.248,598 0.182,599 0.012,600 0.079,601 0.057,602 0.029,603 0.028,604 0.016,605 0.011,606 0.015,607 0.009,608 0.437,609 0.67,610 1,611 1.059,612 87.547,613 -0.034,614 0.046,615 0.035,616 0.024,617 -0.159,618 0.035,619 0.129,620 -0.022,621 0.141,622 0.032,623 0.114,624 0.077,625 -0.048,626 -0.02,627 -0.045,628 0.019,629 0.001,630 -0.015,631 0.036,632 0.037,633 0.015,634 0.083,635 0.022,636 0.057,637 -0.135,638 -0.152,639 -0.089,640 -0.146,641 -0.086,642 -0.107,643 0.034,644 -0.049,645 -0.157,646 -0.235,647 0.047,648 -0.233,649 -0.228,650 -0.012,651 -0.021,652 0.09,653 -0.223,654 0.073,655 -0.181,656 -0.138,657 -0.22,658 -0.149,659 -0.137,660 -0.185,661 1.675,662 3.865,663 0.7,664 12.51,665 1.007,666 1.126,667 2.433,668 5.918,669 0.671,670 3.135,671 3.466,672 3.738,673 4.025,674 4.143,675 4.19,676 4.304,677 4.357,678 4.277,679 4.29,680 4.843,681 0.647,682 269.33,683 3.135,684 4.673,685 5.525,686 6.412,687 7.287,688 8.178,689 9.062,690 9.955,691 10.842,692 11.735,693 8.6,701 1,702 1,703 1,709 4,710 1,711 1,714 5,716 11,732 1,733 1,735 35,737 13,738 1,739 22,741 37,742 15,743 9,744 2,745 4,746 3,748 3,749 4,754 2,760 1,762 12,763 3,767 2,774 2,775 1,776 1,779 1,780 1,783 15,784 4,785 2,786 5,792 3,797 0.667,798 2,807 1,815 2,816 1,819 1,826 1,834 1,835 1,843 2,847 2,851 20,857 1,861 1,863 1,874 5.7,876 1,879 1,881 10.333,882 6.85,883 4.361,884 2.093,886 3.146,887 1.469,888 0.96,889 3.324,890 9.854,891 3.418,892 4.021,893 4.636,894 5.245,895 5.669,896 5.981,897 6.428,898 6.828,899 7.105,900 7.422,901 1,902 28,903 7.344,905 3.1,906 7.767,907 13.9,909 11.214,911 2.267,912 45.333,913 0.001,916 153.024,917 91.207,918 50.112,920 53.683,923 91.207,924 206.708,925 50.112,926 17.65,928 47.381,929 80.165,930 56.762,931 4.815,932 141.253,934 153.024,935 141.319,936 53.683,939 82.398,940 124.31,943 51.099,944 55.033,945 35.187,947 153.024,948 103.795,949 91.207,952 153.024,953 17.128,954 74.079,955 16.663,956 87.132,957 153.024,958 103.795,959 91.207,961 0.582,962 0.333,963 0.189,964 0.099,965 16,966 7,967 0.081,968 3,969 1,970 1.143,971 3.228,972 152.075,973 0.143,974 14,975 84.439,981 12.943,982 5.136,983 2.502,985 87.132,986 7.853,987 3.968,988 2.532,991 2.877,993 59.346,994 348.026,995 29.5,1002 3.599,1003 4.335,1004 0.922,1007 35.262,1008 39.405,1009 0.31,1010 0.737,1011 0.847,1012 0.891,1013 0.902,1014 0.902,1015 4.652,1016 1.076,1017 5.517,1018 3.195,1019 4.143,1020 4.705,1021 1.163,1022 6.34,1023 4.057,1024 5.87,1025 0.621,1026 7.083,1027 2.652,1028 3.761,1029 4.46,1031 7.273,1032 3.633,1033 7.178,1034 0.167,1035 8.75,1036 1.445,1037 5.74,1038 6.9,1039 0.856,1040 10.383,1041 5.581,1042 8.528,1043 -0.434,1044 10.478,1045 0.402,1046 6.196,1047 7.532,1049 12.175,1050 6.006,1051 9.913,1052 -0.751,1053 12.246,1054 -1.179,1055 7.654,1056 9.408,1057 0.643,1058 14.784,1059 7.438,1060 11.324,1061 -0.845,1062 14.043,1063 -1.84,1064 8.489,1065 10.454,1067 16.906,1068 8.245,1069 12.755,1070 -1,1071 15.859,1072 -2,1073 9.742,1074 12.082,1075 0.49,1076 19.341,1077 9.475,1078 3.13,1079 -1.07,1080 17.69,1081 -2.069,1082 10.743,1083 13.322,1085 21.59,1086 10.449,1087 2.958,1088 10.487,1089 19.532,1090 -2.781,1091 11.915,1092 14.837,1093 0.375,1094 23.961,1095 11.599,1096 2.225,1097 9.876,1098 21.382,1099 4.184,1100 12.987,1101 16.169,1103 26.26,1104 12.645,1105 1.984,1106 6.141,1107 23.238,1108 3.971,1109 14.129,1110 17.631,1111 0.286,1112 28.607,1113 13.764,1114 1.625,1115 5.778,1116 25.099,1117 2.763,1118 15.231,1119 19.006,1121 30.926,1122 14.841,1123 1.546,1124 4.246,1125 26.963,1126 2.439,1127 16.361,1128 20.444,1129 0.218,1130 33.264,1131 15.949,1132 1.285,1133 3.804,1134 28.829,1135 2.195,1136 17.477,1137 21.84,1139 35.592,1140 17.04,1141 3552,1142 5952,1143 14.622,1144 23.495,1145 33.997,1146 33.917,1147 34.318,1148 33.255,1149 33.235,1150 43.91,1151 2.92,1152 96.053,1153 31.741,1154 5.28,1155 5.286,1156 6.27,1157 5.15,1158 5.13,1159 7.184,1160 1.72,1161 17.288,1162 5.062,1163 9.392,1164 1.545,1165 1.542,1166 1.56,1167 1.512,1168 1.511,1169 1.996,1170 0.133,1171 4.366,1172 1.443,1173 4.043,1174 4.073,1175 4.009,1176 3.963,1177 6.475,1178 3.968,1179 3.871,1180 3.912,1181 3.835,1182 3.692,1183 5,1184 3.722,1185 3.576,1186 3.643,1187 3.41,1188 3.408,1189 4.896,1190 3.396,1191 3.382,1192 3.435,1193 3.295,1194 3.243,1195 4.4,1196 3.252,1197 2.939,1198 3.009,1199 2.838,1200 2.789,1201 4.368,1202 2.789,1203 2.874,1204 3.006,1205 2.602,1206 2.618,1207 3.924,1208 2.57,1209 2.724,1210 2.789,1211 2.54,1212 2.508,1213 3.706,1214 2.515,1215 2.665,1216 2.698,1217 2.499,1218 2.309,1219 3.529,1220 2.36,1221 0.205,1222 0.149,1223 0.299,1224 0.187,1225 0.142,1226 4.511,1227 0.19,1228 3.286,1229 0.039,1230 6.588,1231 0.477,1232 4.106,1233 0.139,1234 3.13,1235 4.184,1236 0.86,1237 10.487,1238 3.062,1239 1.887,1240 1.866,1241 1.986,1242 1.953,1243 1.107,1244 1.965,1245 1.665,1246 1.638,1247 1.892,1248 1.849,1249 1.055,1250 1.859,1251 1.572,1252 1.516,1253 1.717,1254 1.752,1255 0.826,1256 1.735,1257 1.264,1258 1.208,1259 1.417,1260 1.619,1261 0.469,1262 1.569,1263 1.153,1264 1.082,1265 1.394,1266 1.383,1267 0.385,1268 1.357,1269 0.934,1270 0.859,1271 1.267,1272 1.239,1273 0.174,1274 1.308,1275 0.902,1276 0.804,1277 1.07,1278 1.072,1279 0.114,1280 1.069,1281 0.771,1282 0.704,1283 1.051,1284 0.96,1285 0.095,1286 1.003,1287 3.807,1289 5.13,1290 3.045,1291 6.632,1292 5.416,1293 8.22,1294 7.496,1295 9.856,1297 3.823,1302 9.865,1306 5.573,1308 -0.014,1314 22.655,1315 55.563,1316 132.364,1317 152.015,1318 160.015,1319 162.015,1320 162.015,1321 26.863,1322 6.708,1323 71.03,1324 71.03,1325 16,1326 12.263,1327 3.807,1328 3.087,1329 29.845,1330 58,1331 51,1332 0.26,1333 140.359,1334 241.28,1335 334.236,1336 6515,1338 14.113,1339 0.706,1340 0.565,1341 14.113,1342 11.291,1343 9.648,1344 0.439,1345 0.293,1346 6.349,1347 9.251,1348 6.15,1349 5.147,1350 9.648,1351 6.441,1352 8.89,1353 0.287,1354 0.156,1355 8.89,1356 4.833,1357 7.16,1358 0.175,1359 0.072,1360 7.16,1361 2.954,1362 6.192,1363 0.113,1364 0.038,1365 6.192,1366 2.078,1367 4.675,1368 0.075,1369 0.021,1370 4.675,1371 1.286,1372 0.395,1373 60.643,1374 0.262,1375 19.629,1376 0.752,1377 106,1378 317.508,1379 117.695,1380 307.467,1381 427.36,1382 288,1383 125,1384 327.31,1385 136.67,1386 329.251,1387 481.66,1388 310,1389 5.1}
{0 CHEMBL1989265,1 1.844,2 8.4,3 1.999,4 3.996,5 95.228,6 8.452,7 0.214,8 3.897,9 4.003,10 3.602,11 3.457,12 5.057,13 3.434,14 4.471,15 4.623,16 4.055,17 3.909,18 5.672,19 3.871,20 4.764,21 4.958,22 4.169,23 4.081,24 5.924,25 4.018,26 4.828,27 5.016,28 4.283,29 4.094,30 6.185,31 4.034,32 4.754,33 4.923,34 4.099,35 3.989,36 6.121,37 3.945,38 4.736,39 4.936,40 3.898,41 3.809,42 6.069,43 3.759,44 4.604,45 4.815,46 3.785,47 3.655,48 6.044,49 3.592,50 4.414,51 4.634,52 3.369,53 3.561,54 5.502,55 3.393,56 0.134,57 0.731,58 7.976,59 4.184,60 21.351,61 4.668,62 0.362,63 1.251,64 18.808,65 7.397,66 52.571,67 8.731,68 0.563,69 1.587,70 26.106,71 9.846,72 59.297,73 11.672,74 0.827,75 1.608,76 33.361,77 11.598,78 109.778,79 13.265,80 0.682,81 1.59,82 25.733,83 10.371,84 113.561,85 11.465,86 0.811,87 1.43,88 27.388,89 8.885,90 115.378,91 10.111,92 0.981,93 1.267,94 25.998,95 8.114,96 158.314,97 8.693,98 0.586,99 1.016,100 23.951,101 8.072,102 85.12,103 8.914,104 38,105 43,106 0.323,107 0.699,108 0.859,109 0.892,110 0.892,111 0.892,112 3.269,113 0.98,114 -2.9,115 -2.91,116 -2.81,119 39.5,120 1,121 1,125 3,127 2,136 1,139 1,142 2,143 1,144 3,157 1,158 1,163 1,164 1,165 1,167 1,170 1,172 1,173 1,175 10,178 1,180 2,183 3,185 1,188 3,189 2,190 1,191 1,196 3,197 2,199 4,200 5,203 2,205 2,208 7,209 1,213 1,218 2,221 3,222 2,223 1,224 1,225 7,230 3,233 1,235 1,239 1,240 1,241 1,243 1,248 1,249 1,250 1,253 1,258 3,266 1,267 1,269 3,273 1,274 3,276 770,277 16.43,278 16.43,279 16.43,280 16.43,281 16.43,282 15.245,283 24.039,284 9.158,285 16.849,286 13.768,287 13.768,288 13.768,289 13.768,290 13.768,291 11.733,292 35.128,293 4.299,294 14.505,295 3.583,296 1.444,297 0.529,298 0.343,299 0.343,300 0.343,301 3.956,304 1,305 1,306 1,307 456,308 2.915,311 97.303,312 95.471,315 75.79,316 81.476,319 1.344,320 44.629,322 1,323 1,324 1,325 1,326 1,327 0.5,328 1,329 1,330 0.93,331 56,332 210,333 4.721,334 4.555,335 7.174,336 4.386,337 3.425,338 4.31,339 3.151,340 12.564,341 3.31,342 4.299,343 3.724,344 6.51,345 3.955,346 3.012,347 3.816,348 1.437,349 10.173,350 2.843,351 3.867,352 3.429,353 6.323,354 3.659,355 2.688,356 3.164,357 0.8,358 9.275,359 2.58,360 3.809,361 3.276,362 6.106,363 3.545,364 2.582,365 2.943,366 0.765,367 8.683,368 2.475,369 3.453,370 2.96,371 5.294,372 3.24,373 2.273,374 2.528,376 6.578,377 2.19,378 3.143,379 2.756,380 4.885,381 2.739,382 1.784,383 2.262,385 5.104,386 1.697,387 2.951,388 2.695,389 4.744,390 2.615,391 1.648,392 2,394 4.694,395 1.566,396 2.804,397 2.11,398 4.637,399 2.551,400 1.615,401 1.788,403 4.378,404 1.483,405 2.364,406 2.048,407 4.062,408 2.035,409 1.051,410 1.305,412 2.955,413 1.026,414 2.01,415 1.347,416 3.854,417 1.755,418 0.927,419 0.98,421 2.438,422 0.747,423 1.714,424 1.191,425 3.292,426 1.661,427 0.69,428 0.702,430 1.685,431 0.668,432 1.582,433 0.933,434 3.221,435 1.097,436 0.096,437 0.127,439 0.237,440 0.091,441 1.224,442 0.759,443 2.969,444 0.934,445 0.01,446 0.012,448 0.029,449 0.009,450 0.761,451 0.406,452 2.642,453 0.361,454 -0.597,455 -0.638,457 -1.516,458 -0.534,459 0.536,460 0.274,461 2.399,462 0.251,463 -0.682,464 -0.775,466 -1.781,467 -0.634,468 11.819,469 0.473,470 0.878,471 0.035,472 28.25,473 1.13,474 11.5,475 0.46,476 16.75,477 0.67,478 25.029,479 1.001,480 27.781,481 0.646,482 21.688,483 0.868,484 5.026,485 0.201,486 6.854,487 0.274,488 0.185,490 0.491,494 1,496 0.711,497 1.09,498 0.704,499 0.903,500 0.632,501 0.865,502 0.601,503 1.103,504 0.847,505 1.012,506 0.435,507 0.875,508 0.798,509 0.896,510 0.864,511 0.882,512 0.701,513 0.901,514 0.675,515 0.961,516 0.878,517 1.065,518 0.752,519 0.886,520 1.092,521 1.321,522 0.974,523 1.191,524 1.152,525 1.16,526 1.382,527 1.174,528 1.044,529 1.013,530 1.357,531 1.097,532 1.413,533 1.04,534 1.025,535 0.836,536 1.386,537 0.969,538 1.152,539 1.107,540 1.518,541 1.294,542 1.216,543 1.329,544 5.5,545 0.073,546 3.556,547 2.722,548 2.396,549 1.56,550 0.786,551 0.386,552 0.282,553 0.1,554 6040,555 19016,556 2.057,557 41.9,559 10,562 3,564 3,565 2,567 1.688,568 1.852,569 3.015,570 1.045,571 1,572 1,577 79.274,578 1.844,579 3.982,580 4.897,581 5.083,582 5.083,583 5.083,584 2.517,585 3.943,586 4.615,587 3.162,588 948.709,589 8.025,590 10713.2,592 1,594 1,595 233.329,596 1.517,597 4.538,598 0.196,599 0.015,600 0.083,601 0.059,602 0.05,603 0.037,604 0.025,605 0.015,606 0.017,607 0.009,608 0.505,609 0.5,610 1,611 0.866,612 116.279,613 -0.095,614 -0.042,615 0.034,616 0.086,617 -0.066,618 0.072,619 0.038,620 -0.088,621 0.059,622 0.018,623 0.121,624 0.092,625 -0.042,626 0.11,627 0.033,628 0.078,629 -0.009,630 0.063,631 0.22,632 0.026,633 0.183,634 0.008,635 0.14,636 0.122,637 0.009,638 -0.153,639 -0.086,640 -0.212,641 -0.029,642 -0.197,643 -0.17,644 -0.132,645 -0.137,646 -0.121,647 -0.139,648 -0.173,649 -0.053,650 0.085,651 -0.052,652 0.078,653 -0.005,654 -0.042,655 -0.129,656 0.004,657 -0.359,658 -0.178,659 -0.165,660 -0.304,661 2.938,662 6.677,663 0.72,664 18.368,665 1.022,666 1.133,667 1.671,668 2.791,669 0.676,670 3.367,671 3.784,672 4.143,673 4.511,674 4.762,675 4.984,676 5.17,677 5.288,678 5.421,679 5.394,680 5.026,681 0.651,682 363.45,683 3.367,684 4.963,685 5.866,686 6.804,687 7.729,688 8.671,689 9.604,690 10.548,691 11.486,692 12.431,693 7,694 1,699 2,709 2,714 4,716 6,721 1,730 2,734 1,735 43,737 9,738 1,739 28,741 46,742 17,743 6,744 4,745 2,746 4,748 4,749 7,754 1,757 3,760 3,762 10,763 7,767 3,772 2,776 4,779 1,780 1,781 1,783 18,784 7,785 3,786 8,787 1,792 3,797 0.5,798 3,812 1,815 2,816 2,819 1,820 1,831 1,835 1,836 1,841 1,843 2,844 1,845 1,847 1,849 1,851 25,852 1,857 1,858 4,862 1,863 2,864 2,873 1,874 7,876 1,877 2,881 13.5,882 7.91,883 5.278,884 2.613,886 1.824,887 1.238,888 0.977,889 4.058,890 9.479,891 3.555,892 4.151,893 4.738,894 5.322,895 5.839,896 6.251,897 6.641,898 6.95,899 7.274,900 7.354,901 0.833,902 46,903 9.433,905 4.4,906 8.133,907 17.487,909 15.385,911 2.633,912 65.833,916 176.567,917 95.814,918 39.146,920 92.973,921 14.96,922 32.22,923 63.594,924 269.54,925 54.106,926 8.825,927 40.543,928 18.952,929 99.017,930 28.376,931 14.96,932 208.786,934 176.567,935 102.74,936 107.933,937 32.22,939 132.671,940 151.829,943 49.368,944 53.372,946 32.22,947 191.527,948 132.119,949 95.814,952 176.567,953 68.036,954 34.026,956 140.83,957 176.567,958 147.079,959 95.814,961 0.607,962 0.37,963 0.214,964 0.116,965 24,966 12,967 0.043,968 2,969 2,970 1.222,971 3.446,972 231.224,973 0.222,974 18,975 116.096,977 1,981 16.886,982 6.007,983 2.567,985 147.079,986 2.841,991 0.593,993 75.581,994 419.459,995 34,1000 24.252,1004 -1.712,1007 43.945,1008 48.704,1009 0.34,1010 0.734,1011 0.902,1012 0.937,1013 0.937,1014 0.937,1015 4.879,1016 1.615,1017 5.911,1018 4.694,1019 4.466,1020 4.836,1021 3.289,1022 6.836,1023 4.37,1024 6.105,1025 1.051,1026 7.546,1027 4.378,1028 4.29,1029 4.844,1030 0.57,1031 7.945,1032 4.163,1033 7.449,1034 0.927,1035 9.279,1036 2.955,1037 6.172,1038 6.995,1039 5.334,1040 11.117,1041 5.997,1042 8.826,1043 0.69,1044 11.067,1045 2.438,1046 6.781,1047 7.788,1048 0.863,1049 13.036,1050 6.571,1051 10.235,1052 0.096,1053 12.891,1054 1.685,1055 8.193,1056 9.495,1057 7.587,1058 15.751,1059 7.943,1060 11.668,1061 0.01,1062 14.74,1063 0.237,1064 9.137,1065 10.629,1066 2.542,1067 18.006,1068 8.851,1069 13.119,1070 -0.597,1071 16.607,1072 0.029,1073 10.394,1074 12.176,1075 9.874,1076 20.576,1077 10.071,1078 3.425,1079 -0.682,1080 18.488,1081 -1.516,1082 11.484,1083 13.469,1084 4.984,1085 22.977,1086 11.125,1087 3.012,1088 12.564,1089 20.381,1090 -1.781,1091 12.693,1092 14.954,1093 12.168,1094 25.503,1095 12.302,1096 2.688,1097 10.173,1098 22.282,1099 4.31,1100 13.848,1101 16.322,1102 7.471,1103 27.97,1104 13.422,1105 2.582,1106 9.275,1107 24.192,1108 3.816,1109 15.049,1110 17.783,1111 14.462,1112 30.487,1113 14.59,1114 2.273,1115 8.683,1116 26.108,1117 3.164,1118 16.234,1119 19.19,1120 9.933,1121 32.985,1122 15.742,1123 1.784,1124 6.578,1125 28.03,1126 2.943,1127 17.437,1128 20.642,1129 16.757,1130 35.503,1131 16.914,1132 1.648,1133 5.104,1134 29.956,1135 2.528,1136 18.638,1137 22.069,1138 12.371,1139 38.016,1140 18.083,1141 5871,1142 10562,1143 18.035,1144 29.057,1145 44.311,1146 48.833,1147 46.49,1148 43.679,1149 43.601,1150 51.873,1151 12.305,1152 137.586,1153 41.368,1154 5.646,1155 6.555,1156 6.445,1157 5.503,1158 5.425,1159 7.31,1160 6.3,1161 20.564,1162 5.31,1163 14.979,1164 1.583,1165 1.744,1166 1.66,1167 1.56,1168 1.557,1169 1.853,1170 0.439,1171 4.914,1172 1.477,1173 4.071,1174 4.096,1175 4.137,1176 3.985,1177 8.201,1178 3.987,1179 3.839,1180 3.894,1181 3.854,1182 3.704,1183 7.48,1184 3.694,1185 3.64,1186 3.68,1187 3.634,1188 3.557,1189 7.422,1190 3.532,1191 3.495,1192 3.506,1193 3.448,1194 3.323,1195 6.351,1196 3.338,1197 3.104,1198 3.154,1199 3.084,1200 2.866,1201 5.008,1202 2.881,1203 2.986,1204 3.054,1205 3.041,1206 2.782,1207 4.636,1208 2.762,1209 2.948,1210 3.026,1211 2.833,1212 2.734,1213 4.273,1214 2.707,1215 2.874,1216 2.937,1217 2.754,1218 2.712,1219 4.043,1220 2.695,1221 0.169,1222 0.163,1223 0.256,1224 0.157,1225 0.122,1226 4.721,1227 0.154,1228 4.555,1229 0.113,1230 7.174,1231 0.449,1232 4.386,1233 0.118,1234 3.425,1235 4.31,1236 3.151,1237 12.564,1238 3.31,1239 1.959,1240 1.943,1241 2.01,1242 2.067,1243 1.23,1244 2.05,1245 1.598,1246 1.553,1247 1.848,1248 1.805,1249 1.178,1250 1.823,1251 1.576,1252 1.528,1253 1.813,1254 1.771,1255 1.098,1256 1.785,1257 1.556,1258 1.51,1259 1.66,1260 1.71,1261 0.937,1262 1.71,1263 1.322,1264 1.26,1265 1.468,1266 1.543,1267 0.675,1268 1.53,1269 0.956,1270 0.923,1271 1.286,1272 1.209,1273 0.456,1274 1.239,1275 0.875,1276 0.842,1277 1.114,1278 1.153,1279 0.193,1280 1.134,1281 0.832,1282 0.789,1283 1.08,1284 1.109,1285 0.078,1286 1.113,1287 4.043,1289 5.434,1290 3.045,1291 7.015,1292 5.352,1293 8.696,1294 7.402,1295 10.439,1297 1.966,1299 14.677,1301 5.927,1302 9.459,1303 2.703,1307 1.357,1308 0.035,1309 3.735,1314 27.993,1315 79.274,1316 171.224,1317 210.574,1318 218.574,1319 218.574,1320 218.574,1321 63.363,1322 7.656,1323 88.56,1324 113.86,1325 22,1326 12.924,1327 3.322,1328 2.807,1329 35.615,1330 76,1331 82,1332 0.243,1333 171.403,1334 310.43,1335 409.983,1336 19141,1337 2.3,1338 17.878,1339 0.715,1340 0.579,1341 17.361,1342 14.476,1343 11.88,1344 0.424,1345 0.327,1346 8.12,1347 10.903,1348 7.866,1349 6.411,1350 11.923,1351 9.151,1352 11.595,1353 0.27,1354 0.178,1355 11.58,1356 7.669,1357 9.958,1358 0.161,1359 0.101,1360 10.295,1361 6.234,1362 9.072,1363 0.101,1364 0.055,1365 9.657,1366 4.974,1367 7.084,1368 0.061,1369 0.028,1370 7.423,1371 3.284,1372 0.362,1373 79.782,1374 0.235,1375 23.294,1376 0.735,1377 142,1378 483.195,1379 181.724,1380 455.436,1381 605.58,1382 422,1383 176,1384 422.017,1385 214.917,1386 430.033,1387 646.74,1388 405,1389 5.1}
{0 CHEMBL1989474,1 1.595,2 7.632,3 2.801,4 7.843,5 71.083,6 8.476,7 0.81,8 3.535,9 3.651,10 3.22,11 3.103,12 4.776,13 3.11,14 3.995,15 4.161,16 3.548,17 3.444,18 5.236,19 3.449,20 4.128,21 4.311,22 3.506,23 3.507,24 5.342,25 3.478,26 4.12,27 4.324,28 3.44,29 3.451,30 5.255,31 3.408,32 4.065,33 4.257,34 3.433,35 3.428,36 5.177,37 3.393,38 4.139,39 4.364,40 3.297,41 3.38,42 5.31,43 3.307,44 4.048,45 4.309,46 2.965,47 3.167,48 5.128,49 3.033,50 3.785,51 4.112,52 2.493,53 2.608,54 4.937,55 2.475,56 0.058,57 0.549,58 4.47,59 2.41,60 3.858,61 2.82,62 0.162,63 0.843,64 8.779,65 3.589,66 11.951,67 4.253,68 0.204,69 0.94,70 10.929,71 4.576,72 25.295,73 5.346,74 0.233,75 0.881,76 11.557,77 4.624,78 26.719,79 5.731,80 0.144,81 0.82,82 10.029,83 4.028,84 12.527,85 5.152,86 0.299,87 0.868,88 12.04,89 4.319,90 24.594,91 5.565,92 0.21,93 0.749,94 12.883,95 5.04,96 18.724,97 6.94,98 0.277,99 0.561,100 12.492,101 3.712,102 34.461,103 5.244,104 5,105 29,106 0.299,107 0.629,108 0.792,109 0.839,110 0.839,111 0.839,112 3.012,113 0.828,114 -4.11,115 -4.05,116 -3.84,119 46.7,124 1,142 5,143 2,144 1,145 1,146 2,148 1,151 1,166 1,172 4,174 1,175 6,183 6,188 3,196 4,199 2,200 8,208 3,213 4,221 2,224 2,225 3,233 2,238 2,250 2,276 428,277 12.93,278 12.93,279 12.93,280 12.93,281 12.93,282 10.883,283 4.79,284 7.749,285 13.214,286 10.392,287 10.392,288 10.392,289 10.392,290 10.392,291 7.424,292 3.162,293 3.723,294 10.865,295 3.312,296 1.545,297 0.679,298 0.425,299 0.425,300 0.425,301 3.69,304 1,305 1,306 1,307 312,308 1.732,311 49.323,312 111.177,319 1.125,320 17.074,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 41.5,332 145,333 4.53,334 3.181,335 6.72,336 4.145,337 3.167,338 4.249,340 10.969,341 3.098,342 3.982,343 2.886,344 5.772,345 3.55,346 2.577,347 3.579,349 7.837,350 2.505,351 3.741,352 2.449,353 5.13,354 3.264,355 2.321,356 3.269,358 6.299,359 2.182,360 3.434,361 2.27,362 4.946,363 3.026,364 2.084,365 2.744,367 5.772,368 1.947,369 3.072,370 1.688,371 4.435,372 2.586,373 1.644,374 2.302,376 4.106,377 1.545,378 2.619,379 1.244,380 3.912,381 2.107,382 1.166,383 1.671,385 3.003,386 1.092,387 2.5,388 1,389 3.457,390 2,391 1,392 1.5,394 2.275,395 1,396 2.5,397 1,398 3.414,399 1.942,400 1,401 1.5,403 2.211,404 0.939,405 2.279,406 0.824,407 3.247,408 1.75,409 0.798,410 1.175,412 2.136,413 0.757,414 1.136,415 0.314,416 2.601,417 0.73,418 -0.184,419 -0.231,421 -0.412,422 -0.163,423 0.773,424 -0.48,425 2.236,426 0.345,427 -0.598,428 -0.752,430 -1.396,431 -0.562,432 0.5,433 -0.628,434 2,435 0.14,436 -0.795,437 -0.976,439 -1.922,440 -0.737,441 0.5,442 -0.94,443 2,445 -1,446 -1.462,448 -2.347,449 -0.922,450 0.454,451 -1,452 1.62,453 -0.074,454 -1,455 -1.5,457 -2.946,458 -1,459 0.204,460 -1,461 1.555,462 -0.219,463 -1.138,464 -1.5,466 -3,467 -1.031,468 8.886,469 0.468,470 0.435,471 0.023,472 28.5,473 1.5,474 16,475 0.842,476 12.5,477 0.658,478 10.455,479 0.55,480 19.314,481 0.644,482 18.457,483 0.971,484 5.863,485 0.309,486 3.374,487 0.178,488 0.088,490 0.326,494 1,496 0.565,497 1.067,498 0.625,499 1.007,500 0.537,501 0.875,502 0.852,503 0.944,504 0.771,505 0.805,506 0.61,507 0.76,508 1.105,509 1.075,510 1.043,511 1.023,512 1.077,513 1.017,514 0.871,515 0.925,516 0.979,517 0.99,518 0.868,519 1.007,520 0.664,521 1.009,522 0.926,523 1.073,524 0.408,525 1.053,526 0.747,527 0.759,528 1.188,529 1.047,530 0.617,531 1.172,532 0.596,533 0.994,534 0.993,535 1.28,536 0.78,537 1.263,538 1.086,539 0.873,540 0.908,541 0.821,542 1.198,543 0.827,544 3.5,545 0.012,546 2,547 1.16,548 1.073,549 0.626,550 0.229,551 0.239,552 0.082,553 0.03,554 3116,555 10085,556 2.113,557 36.7,559 8,560 1,561 2,567 1.608,568 2,569 2.943,570 -0.724,572 1,573 1,574 1,577 47.85,578 1.595,579 3.361,580 4.228,581 4.482,582 4.482,583 4.482,584 2.42,585 3.827,586 4.218,587 3.016,588 515.807,589 7.209,590 4967.04,591 1,592 1,594 1,595 147.207,596 1.324,597 4.189,598 0.167,599 0.012,600 0.069,601 0.043,602 0.043,603 0.025,604 0.011,605 0.018,606 0.012,607 0.01,608 0.41,609 0.83,610 1,611 0.565,612 81.004,613 0.039,614 -0.119,615 0.059,616 -0.089,617 -0.044,618 -0.035,619 -0.092,620 0.007,621 0.032,622 0.098,623 0.021,624 0.103,625 -0.177,626 -0.066,627 -0.17,628 -0.062,629 -0.124,630 -0.097,631 -0.044,632 -0.001,633 -0.069,634 -0.036,635 -0.085,636 -0.057,637 -0.078,638 -0.194,639 -0.083,640 -0.161,641 0.006,642 -0.129,643 0.02,644 0.098,645 -0.255,646 -0.135,647 0.005,648 -0.233,649 0.192,650 -0.195,651 0.084,652 -0.238,653 0.059,654 -0.146,655 0.146,656 0.023,657 0.409,658 0.237,659 0.168,660 0.352,661 1.928,662 4.985,663 0.895,664 12.294,665 1.015,666 1.133,667 2.878,668 8.28,669 0.7,670 3.091,671 3.401,672 3.664,673 3.951,674 4.174,675 4.159,676 4.205,677 4.263,678 4.205,679 3.932,680 4.558,681 0.686,682 254.29,683 3.091,684 4.615,685 5.46,686 6.337,687 7.207,688 8.092,689 8.973,690 9.861,691 10.747,692 11.637,693 13.3,701 1,703 3,709 8,710 3,714 5,715 1,716 17,734 1,735 30,737 17,738 1,739 21,741 32,742 14,743 13,744 2,745 4,748 3,749 3,762 13,763 1,780 1,781 1,783 11,784 4,786 5,792 4,797 1,807 1,810 1,815 1,816 2,843 3,847 1,849 1,851 19,873 1,881 9.5,882 5.86,883 4.167,884 1.663,886 3.154,887 1.485,888 1.012,889 2.902,890 9.662,891 3.418,892 4.047,893 4.653,894 5.273,895 5.794,896 6.031,897 6.427,898 6.816,899 7.116,900 7.196,901 1,902 27,903 6.958,905 2.929,906 7.886,907 13.03,909 10.388,911 2.386,912 45.333,913 0.001,916 129.482,917 103.497,918 52.011,921 14.96,923 103.497,924 129.482,925 66.971,926 8.396,928 56.429,929 73.776,930 40.448,931 26.731,932 94.169,934 129.482,935 155.507,936 14.96,939 144.442,943 24.956,944 80.317,945 50.234,947 144.442,948 52.011,949 103.497,952 129.482,953 21.006,954 84.268,956 65.194,957 129.482,958 66.971,959 103.497,961 0.577,962 0.331,963 0.187,964 0.112,965 15,966 6,967 0.063,968 2,970 1,971 3.153,972 142.079,974 17,975 76.711,981 11.699,982 4.714,983 2.285,985 65.194,986 13.165,987 12.552,991 3.069,992 1.718,994 299.95,995 29.5,1007 30.454,1008 33.994,1009 0.325,1010 0.685,1011 0.862,1012 0.913,1013 0.913,1014 0.913,1015 4.618,1016 1,1017 5.434,1018 2.275,1019 4.078,1020 4.732,1022 6.232,1023 3.998,1024 5.833,1025 0.798,1026 6.978,1027 2.211,1028 3.611,1029 4.407,1031 7.111,1032 3.492,1033 7.133,1034 -0.184,1035 8.626,1036 2.136,1037 5.645,1038 6.938,1040 10.241,1041 5.509,1042 8.471,1043 -0.598,1044 10.337,1045 -0.412,1046 6.019,1047 7.456,1049 12.018,1050 5.859,1051 9.841,1052 -0.795,1053 12.091,1054 -1.396,1055 7.518,1056 9.412,1058 14.663,1059 7.341,1060 11.236,1061 -1,1062 13.876,1063 -1.922,1064 8.292,1065 10.354,1067 16.807,1068 8.099,1069 12.651,1070 -1,1071 15.685,1072 -2.347,1073 9.571,1074 12.041,1076 19.289,1077 9.36,1078 3.167,1079 -1.138,1080 17.513,1081 -2.946,1082 10.541,1083 13.212,1085 21.583,1086 10.315,1087 2.577,1088 10.969,1089 19.355,1090 -3,1091 11.731,1092 14.768,1094 24.009,1095 11.487,1096 2.321,1097 7.837,1098 21.209,1099 4.249,1100 12.796,1101 16.063,1103 26.362,1104 12.535,1105 2.084,1106 6.299,1107 23.072,1108 3.579,1109 13.954,1110 17.556,1112 28.768,1113 13.674,1114 1.644,1115 5.772,1116 24.942,1117 3.269,1118 15.063,1119 18.919,1121 31.145,1122 14.765,1123 1.166,1124 4.106,1125 26.819,1126 2.744,1127 16.212,1128 20.383,1130 33.544,1131 15.894,1132 1,1133 3.003,1134 28.7,1135 2.302,1136 17.342,1137 21.783,1139 35.931,1140 17.004,1141 3053,1142 5587,1143 14.216,1144 21.006,1145 32.026,1146 31.894,1147 32.352,1148 31.597,1149 31.514,1150 43.979,1152 89.217,1153 30.131,1154 5.217,1155 5.181,1156 6.522,1157 5.216,1158 5.167,1159 7.249,1161 18.112,1162 5.098,1163 7.407,1164 1.525,1165 1.519,1166 1.541,1167 1.505,1168 1.501,1169 2.094,1171 4.248,1172 1.435,1173 4.052,1174 4.095,1175 4.02,1176 3.942,1177 8.201,1178 3.954,1179 3.821,1180 3.86,1181 3.772,1182 3.708,1183 5.062,1184 3.719,1185 3.67,1186 3.741,1187 3.611,1188 3.451,1189 4.872,1190 3.482,1191 3.089,1192 3.17,1193 2.955,1194 2.902,1195 4.549,1196 2.897,1197 2.854,1198 2.925,1199 2.74,1200 2.735,1201 3.94,1202 2.715,1203 2.823,1204 2.88,1205 2.687,1206 2.66,1207 3.772,1208 2.666,1209 2.771,1210 2.852,1211 2.626,1212 2.582,1213 3.674,1214 2.582,1215 2.53,1216 2.625,1217 2.392,1218 2.264,1219 3.638,1220 2.286,1221 0.216,1222 0.151,1223 0.32,1224 0.197,1225 0.151,1226 4.53,1227 0.202,1228 3.181,1230 6.72,1231 0.522,1232 4.145,1233 0.148,1234 3.167,1235 4.249,1237 10.969,1238 3.098,1239 1.915,1240 1.892,1241 2.001,1242 2.003,1243 1.106,1244 2.002,1245 1.767,1246 1.725,1247 1.866,1248 1.929,1249 0.901,1250 1.914,1251 1.48,1252 1.391,1253 1.714,1254 1.783,1255 0.733,1256 1.763,1257 1.258,1258 1.217,1259 1.371,1260 1.402,1261 0.452,1262 1.389,1263 0.886,1264 0.821,1265 1.181,1266 1.063,1267 0.218,1268 1.107,1269 0.81,1270 0.738,1271 1.069,1272 1.062,1273 0.122,1274 1.083,1275 0.758,1276 0.677,1277 1.052,1278 0.996,1279 0.019,1280 1.022,1281 0.527,1282 0.434,1283 0.771,1284 0.826,1286 0.808,1287 3.761,1289 5.069,1290 2.398,1291 6.572,1292 4.727,1293 8.161,1294 6.823,1295 9.797,1297 1.845,1299 12.985,1314 20.576,1315 47.85,1316 100.842,1317 126.842,1318 134.452,1319 134.452,1320 134.452,1321 23.631,1322 6.507,1323 43.6,1324 43.6,1325 17,1326 12.167,1327 4.17,1328 3.248,1329 27.626,1330 50,1331 55,1332 0.274,1333 127.839,1334 209.93,1335 303.688,1336 4863,1337 3.3,1338 13.242,1339 0.697,1340 0.541,1341 12.372,1342 10.286,1343 9.237,1344 0.44,1345 0.276,1346 5.695,1347 8.805,1348 5.553,1349 4.631,1350 8.843,1351 5.798,1352 8.322,1353 0.287,1354 0.144,1355 7.7,1356 4.167,1357 6.82,1358 0.179,1359 0.074,1360 6.41,1361 2.804,1362 5.735,1363 0.112,1364 0.038,1365 5.584,1366 1.947,1367 4.833,1368 0.076,1369 0.021,1370 4.603,1371 1.314,1372 0.41,1373 58.348,1374 0.265,1375 18.691,1376 0.812,1377 100,1378 354.692,1379 110.797,1380 323.033,1381 438.81,1382 302,1383 117,1384 325.373,1385 127.848,1386 325.807,1387 470.12,1388 305,1389 5.5}
{0 CHEMBL1989518,1 1.509,2 9.167,3 0.67,4 0.448,5 71.612,6 7.313,7 0.632,8 3.58,9 3.706,10 3.126,11 3.112,12 4.745,13 3.093,14 4.031,15 4.203,16 3.344,17 3.412,18 5.119,19 3.367,20 4.212,21 4.427,22 3.297,23 3.467,24 5.245,25 3.375,26 4.11,27 4.346,28 3.096,29 3.346,30 5.028,31 3.229,32 4.033,33 4.272,34 3.074,35 3.281,36 4.987,37 3.18,38 3.986,39 4.212,40 3.046,41 3.253,42 5.015,43 3.149,44 3.975,45 4.233,46 2.944,47 3.13,48 4.949,49 3.019,50 3.793,51 4.054,52 2.674,53 2.861,54 4.776,55 2.756,56 0.023,57 0.478,58 6.745,59 2.801,60 8.472,61 3.742,62 0.107,63 0.694,64 11.68,65 4.29,66 16.312,67 5.777,68 0.256,69 0.759,70 15.093,71 5.468,72 27.565,73 7.532,74 0.102,75 0.682,76 13.587,77 5.207,78 17.438,79 7.312,80 0.116,81 0.651,82 12.601,83 4.52,84 17.275,85 6.468,86 0.117,87 0.645,88 11.692,89 4.222,90 19.046,91 6.039,92 0.083,93 0.605,94 12.058,95 4.109,96 17.67,97 6.089,98 0.153,99 0.48,100 10.425,101 3.175,102 19.933,103 4.578,104 5,105 23,106 0.282,107 0.618,108 0.779,109 0.851,110 0.862,111 0.862,112 2.958,113 0.907,114 -1.9,115 -1.95,116 -1.96,119 42.4,125 2,135 2,142 3,143 2,144 1,145 4,163 1,164 1,165 1,172 6,175 4,183 6,187 1,188 4,190 1,191 1,196 4,200 3,208 3,213 3,218 1,221 2,223 1,225 4,227 1,228 1,230 1,235 1,238 3,243 1,248 1,249 1,255 1,260 1,263 1,269 1,274 1,276 400,277 12.56,278 12.56,279 12.56,280 12.56,281 12.56,282 10.98,283 5.204,284 8.07,285 12.85,286 9.398,287 9.398,288 9.398,289 9.398,290 9.398,291 7.076,292 5.612,293 3.85,294 9.852,295 3.535,296 1.736,297 0.871,298 0.485,299 0.424,300 0.424,301 3.624,305 1,306 1,307 341,308 2.55,312 124.168,319 1.519,320 10.792,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 38.5,332 165,333 4.112,334 2.928,335 5.607,336 3.683,337 2.711,338 3.726,339 0.86,340 7.764,341 2.641,342 3.915,343 2.544,344 5.337,345 3.487,346 2.502,347 3.481,349 6.962,350 2.459,351 3.426,352 2.288,353 4.967,354 3.04,355 2.093,356 2.706,358 5.902,359 1.97,360 2.973,361 1.699,362 3.646,363 2.449,364 1.514,365 2.152,367 3.159,368 1.411,369 2.716,370 1.49,371 3.529,372 2.35,373 1.414,374 1.8,376 2.804,377 1.315,378 2.5,379 1.23,380 3.38,381 2.11,382 1.183,383 1.5,385 2.432,386 1.093,387 2.433,388 1,389 3.247,390 1.984,391 1,392 1.428,394 2.136,395 0.983,396 2.304,397 0.728,398 3.076,399 1.589,400 0.604,401 0.981,403 1.408,404 0.594,405 1.381,406 0.598,407 2.481,408 1.15,409 0.272,410 0.294,412 0.439,413 0.238,414 0.918,415 -0.265,416 2.297,417 0.565,418 -0.407,419 -0.51,421 -0.955,422 -0.393,423 0.704,424 -0.432,425 1.696,426 0.286,427 -0.634,428 -0.747,430 -1.306,431 -0.578,432 0.615,433 -0.863,434 1.581,435 0.109,436 -0.87,437 -1.313,439 -1.997,440 -0.85,441 0.5,442 -1,443 1.555,444 -0.049,445 -1,446 -1.448,448 -2.347,449 -0.946,450 0.003,451 -1.081,452 1.11,453 -0.249,454 -1.202,455 -1.5,457 -2.589,458 -1.142,459 -0.146,460 -1.338,461 1.029,462 -0.433,463 -1.414,464 -1.845,466 -3.788,467 -1.386,468 8.533,469 0.474,470 0.205,471 0.011,472 25.25,473 1.403,474 14,475 0.778,476 11.25,477 0.625,478 9.813,479 0.545,480 19.067,481 0.578,482 15.404,483 0.856,484 5.32,485 0.296,486 3.561,487 0.198,488 0.047,490 0.176,496 0.966,497 1.243,498 0.829,499 1.064,500 1.09,501 0.944,502 1.389,503 1.052,504 1.05,505 1.008,506 1.156,507 0.985,508 1.15,509 0.862,510 1.034,511 0.942,512 0.974,513 0.982,514 0.895,515 1.025,516 0.965,517 1.078,518 0.764,519 1.049,520 0.967,521 0.974,522 0.949,523 0.939,524 0.84,525 0.942,526 0.872,527 1.067,528 1.085,529 1.105,530 1.071,531 1.118,532 0.814,533 1.155,534 0.919,535 1.078,536 0.751,537 1.017,538 1.426,539 0.856,540 1.108,541 0.919,542 1.285,543 0.96,544 2.5,545 0.021,546 0.889,547 0.438,548 0.533,549 0.271,550 0.144,551 0.139,552 0.053,553 0.026,554 2991,555 8268,556 2.059,557 45.5,559 9,561 4,562 2,567 1.582,568 2,569 3.217,570 0.374,572 1,574 1,577 49.804,578 1.509,579 3.309,580 4.173,581 4.56,582 4.62,583 4.62,584 2.738,585 3.837,586 4.139,587 3.319,588 507.877,589 7.002,590 4992.17,592 1,595 166.465,596 0.944,597 4.136,598 0.132,599 0.004,600 0.039,601 0.021,602 0.031,603 0.016,604 0.009,605 0.01,606 0.005,607 0.004,608 0.27,609 0.5,610 1,611 1.158,612 78.32,613 -0.069,614 -0.089,615 0.03,616 -0.036,617 -0.145,618 0.008,619 -0.21,620 0.021,621 -0.123,622 -0.02,623 -0.177,624 -0.049,625 0.063,626 0.099,627 -0.062,628 0.05,629 -0.005,630 -0.016,631 -0.034,632 -0.104,633 -0.013,634 -0.065,635 -0.019,636 -0.043,637 -0.089,638 -0.011,639 0.009,640 0.048,641 0.003,642 0.042,643 -0.043,644 -0.05,645 -0.149,646 -0.135,647 -0.103,648 -0.154,649 0.014,650 -0.208,651 0.055,652 -0.119,653 0.126,654 -0.038,655 -0.11,656 0.091,657 -0.076,658 -0.007,659 -0.11,660 -0.031,661 1.003,662 1.916,663 0.667,664 13.802,665 0.998,666 1.127,667 0.666,668 0.444,669 0.668,670 2.996,671 3.178,672 3.332,673 3.497,674 3.664,675 3.497,676 3.526,677 3.526,678 3.555,679 3.434,680 5.407,681 0.635,682 241.32,683 2.996,684 4.443,685 5.22,686 6.023,687 6.819,688 7.63,689 8.432,690 9.247,691 10.052,692 10.868,693 9.1,694 1,703 2,709 7,710 2,714 3,716 12,733 1,735 33,737 13,739 19,741 34,742 14,743 10,746 2,748 2,749 2,754 1,762 12,763 2,767 1,774 2,780 1,783 15,784 4,785 2,786 4,792 3,797 1,798 1,809 2,816 2,834 2,836 1,843 2,851 18,852 1,858 2,861 1,874 3,879 1,881 9,882 5.65,883 4.25,884 1.808,886 2.778,887 1.464,888 0.96,889 4.591,890 8.767,891 3.296,892 3.784,893 4.304,894 4.81,895 5.33,896 5.327,897 5.69,898 5.987,899 6.39,900 6.625,901 1,902 21,903 6.569,905 2.579,906 7.694,907 12.51,909 9.44,911 2.194,912 39.5,913 0.001,916 153.024,917 101.884,918 66.468,920 11,923 101.884,924 164.024,925 66.468,927 39.595,928 47.381,929 80.655,930 58.804,932 105.94,934 153.024,935 168.352,936 11,939 153.024,940 11,943 75.785,944 40.043,945 52.524,947 153.024,948 77.468,949 101.884,952 153.024,953 18.313,954 83.571,956 77.468,957 153.024,958 77.468,959 101.884,961 0.539,962 0.296,963 0.159,964 0.091,965 9,966 3,967 0.147,968 5,970 1,971 3.221,972 113.766,974 12,975 71.059,981 12.431,982 6.647,983 4.062,985 77.468,986 12.807,987 8.091,991 2.817,993 32.897,994 332.376,995 26,1002 3.989,1007 32.934,1008 37.196,1009 0.299,1010 0.656,1011 0.827,1012 0.904,1013 0.916,1014 0.916,1015 4.431,1016 0.604,1017 5.106,1018 2.136,1019 3.85,1020 4.466,1021 0.908,1022 5.733,1023 3.769,1024 5.57,1025 0.272,1026 6.535,1027 1.408,1028 2.944,1029 3.726,1031 6.188,1032 2.879,1033 6.802,1034 -0.407,1035 8.059,1036 0.439,1037 5.252,1038 6.533,1039 0.739,1040 9.241,1041 5.113,1042 8.071,1043 -0.634,1044 9.639,1045 -0.955,1046 5.198,1047 6.648,1049 10.547,1050 5.082,1051 9.372,1052 -0.87,1053 11.257,1054 -1.306,1055 6.891,1056 8.841,1057 0.593,1058 13.014,1059 6.709,1060 10.695,1061 -1,1062 12.899,1063 -1.997,1064 7.284,1065 9.4,1067 14.683,1068 7.117,1069 12.035,1070 -1.202,1071 14.558,1072 -2.347,1073 8.654,1074 11.263,1075 0.469,1076 16.911,1077 8.435,1078 2.711,1079 -1.414,1080 16.227,1081 -2.589,1082 9.299,1083 12.083,1085 18.756,1086 9.082,1087 2.502,1088 7.764,1089 17.905,1090 -3.788,1091 10.493,1092 13.748,1093 0.366,1094 20.877,1095 10.234,1096 2.093,1097 6.962,1098 19.588,1099 3.726,1100 11.282,1101 14.732,1103 22.812,1104 11.016,1105 1.514,1106 5.902,1107 21.276,1108 3.481,1109 12.379,1110 16.271,1111 0.283,1112 24.884,1113 12.078,1114 1.414,1115 3.159,1116 22.967,1117 2.706,1118 13.251,1119 17.362,1121 26.866,1122 12.935,1123 1.183,1124 2.804,1125 24.661,1126 2.152,1127 14.296,1128 18.821,1129 0.217,1130 28.918,1131 13.949,1132 1,1133 2.432,1134 26.356,1135 1.8,1136 15.216,1137 19.983,1139 30.926,1140 14.85,1141 3018,1142 5091,1143 13,1144 22.04,1145 26.889,1146 27,1147 26.958,1148 26.533,1149 26.589,1150 36.136,1151 1.72,1152 66.009,1153 25.406,1154 4.896,1155 4.928,1156 5.47,1157 4.722,1158 4.711,1159 6.726,1160 1.72,1161 13.338,1162 4.588,1163 5.48,1164 1.415,1165 1.421,1166 1.419,1167 1.396,1168 1.399,1169 1.902,1170 0.091,1171 3.474,1172 1.337,1173 3.953,1174 3.985,1175 3.899,1176 3.867,1177 5.04,1178 3.87,1179 3.816,1180 3.854,1181 3.759,1182 3.701,1183 4.948,1184 3.71,1185 3.535,1186 3.616,1187 3.377,1188 3.312,1189 4.886,1190 3.317,1191 3.26,1192 3.317,1193 3.155,1194 3.119,1195 4.384,1196 3.119,1197 2.887,1198 2.971,1199 2.754,1200 2.735,1201 4.229,1202 2.715,1203 2.854,1204 2.925,1205 2.687,1206 2.637,1207 3.702,1208 2.65,1209 2.698,1210 2.774,1211 2.593,1212 2.495,1213 3.674,1214 2.511,1215 2.612,1216 2.726,1217 2.363,1218 2.281,1219 3.454,1220 2.284,1221 0.216,1222 0.154,1223 0.295,1224 0.194,1225 0.143,1226 4.112,1227 0.196,1228 2.928,1229 0.045,1230 5.607,1231 0.409,1232 3.683,1233 0.139,1234 2.711,1235 3.726,1236 0.86,1237 7.764,1238 2.641,1239 1.912,1240 1.884,1241 2.013,1242 2.02,1243 1.078,1244 2.019,1245 1.779,1246 1.746,1247 1.89,1248 1.924,1249 0.988,1250 1.916,1251 1.493,1252 1.419,1253 1.767,1254 1.756,1255 0.894,1256 1.766,1257 1.241,1258 1.187,1259 1.437,1260 1.416,1261 0.445,1262 1.426,1263 0.886,1264 0.821,1265 1.181,1266 1.167,1267 0.218,1268 1.163,1269 0.796,1270 0.73,1271 1.14,1272 1.062,1273 0.114,1274 1.107,1275 0.666,1276 0.586,1277 0.97,1278 0.899,1279 0.036,1280 0.922,1281 0.596,1282 0.466,1283 0.937,1284 0.885,1286 0.913,1287 3.664,1289 4.875,1291 6.286,1293 7.784,1295 9.325,1301 5.384,1303 0.996,1306 5.416,1314 20.94,1315 49.804,1316 109.181,1317 137.71,1318 150.465,1319 152.465,1320 152.465,1321 20.279,1322 5.989,1323 61.03,1324 61.03,1325 12,1326 11.455,1327 3.807,1328 3,1329 31.157,1330 57,1331 60,1332 0.264,1333 134.164,1334 227.55,1335 319.12,1336 2730,1338 12.632,1339 0.702,1340 0.555,1341 12.632,1342 9.99,1343 8.881,1344 0.467,1345 0.302,1346 5.661,1347 8.55,1348 5.546,1349 4.647,1350 8.881,1351 5.743,1352 7.122,1353 0.31,1354 0.161,1355 7.122,1356 3.705,1357 5.565,1358 0.206,1359 0.085,1360 5.565,1361 2.295,1362 4.367,1363 0.136,1364 0.045,1365 4.367,1366 1.449,1367 3.517,1368 0.093,1369 0.024,1370 3.517,1371 0.929,1372 0.419,1373 55.55,1374 0.277,1375 18.598,1376 0.706,1377 84,1378 252.338,1379 91.012,1380 245.877,1381 334.17,1382 232,1383 92,1384 239.102,1385 98.93,1386 244.183,1387 346.14,1388 229,1389 5.1}
{0 CHEMBL1989646,1 1.465,2 9.391,3 3.125,4 9.764,5 93.752,6 7.805,7 0.808,8 3.796,9 3.934,10 3.417,11 3.353,12 4.964,13 3.343,14 4.266,15 4.435,16 3.77,17 3.74,18 5.346,19 3.714,20 4.443,21 4.638,22 3.756,23 3.814,24 5.497,25 3.758,26 4.557,27 4.8,28 3.626,29 3.765,30 5.55,31 3.683,32 4.429,33 4.686,34 3.55,35 3.644,36 5.388,37 3.569,38 4.324,39 4.556,40 3.5,41 3.589,42 5.357,43 3.511,44 4.289,45 4.548,46 3.366,47 3.481,48 5.294,49 3.38,50 4.123,51 4.385,52 2.948,53 3.318,54 5.028,55 3.181,56 0.106,57 0.658,58 7.422,59 3.087,60 10.423,61 4.054,62 0.099,63 1.008,64 12.872,65 5.157,66 10.879,67 7.042,68 0.121,69 1.147,70 16.24,71 6.053,72 17.739,73 8.429,74 0.226,75 1.207,76 20.27,77 6.174,78 29.258,79 8.962,80 0.172,81 1.037,82 18.556,83 5.967,84 22.719,85 8.787,86 0.188,87 0.969,88 15.686,89 5.45,90 22.885,91 7.788,92 0.262,93 0.899,94 16.096,95 5.585,96 24.476,97 8.08,98 0.179,99 0.729,100 13.685,101 4.401,102 21.454,103 6.348,104 5,105 37,106 0.256,107 0.636,108 0.748,109 0.837,110 0.85,111 0.85,112 3.189,113 0.854,114 -4.45,115 -4.38,116 -4.13,119 43.6,120 1,125 1,142 8,143 3,146 1,147 1,152 2,163 1,164 1,165 1,166 2,168 1,172 10,174 1,175 4,177 1,178 1,180 3,183 10,185 1,188 11,192 1,193 3,195 1,196 6,198 1,200 13,205 3,208 3,210 2,213 9,218 1,221 5,223 1,224 1,225 3,227 1,228 2,233 6,237 2,238 2,240 2,241 4,243 2,246 9,248 1,258 9,264 1,269 2,272 6,274 1,276 694,277 15.792,278 15.792,279 15.792,280 15.792,281 15.792,282 13.248,283 12.138,284 9.238,285 15.99,286 12.827,287 12.827,288 12.827,289 12.827,290 12.827,291 9.117,292 15.495,293 4.395,294 13.143,295 3.82,296 1.65,297 1.013,298 0.5,299 0.43,300 0.43,301 3.887,304 1,305 1,306 1,307 482,308 2.236,311 110.563,312 130.061,315 89.691,319 1.679,320 12.409,321 1,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 49,332 216,333 4.588,334 3.255,335 6.666,336 4.148,337 3.173,338 4.521,339 0.522,340 10.675,341 3.095,342 4.406,343 3.064,344 6.461,345 3.957,346 2.991,347 4.124,349 9.965,350 2.888,351 3.914,352 2.73,353 5.733,354 3.54,355 2.551,356 3.452,358 7.81,359 2.523,360 3.637,361 2.303,362 5.272,363 3.212,364 2.234,365 3.073,367 6.584,368 2.181,369 3.298,370 1.939,371 4.951,372 2.825,373 1.869,374 2.635,376 5.412,377 1.783,378 2.954,379 1.65,380 4.499,381 2.519,382 1.532,383 2.138,385 4.182,386 1.512,387 2.78,388 1.372,389 4.045,390 2.296,391 1.317,392 1.906,394 3.233,395 1.287,396 2.611,397 1.31,398 3.816,399 2.165,400 1.179,401 1.66,403 2.954,404 1.161,405 2.562,406 1.161,407 3.583,408 2.085,409 1.12,410 1.587,412 2.761,413 1.078,414 2.5,415 1,416 3.247,417 2,418 1,419 1.5,421 2.136,422 1,423 2.117,424 0.715,425 3.228,426 1.648,427 0.669,428 0.952,430 1.578,431 0.654,432 1.326,433 0.279,434 2.896,435 1.054,436 0.078,437 0.094,439 0.199,440 0.076,441 0.964,442 -0.192,443 2.54,444 0.597,445 -0.384,446 -0.49,448 -0.92,449 -0.375,450 0.695,451 -0.41,452 2.194,453 0.354,454 -0.62,455 -0.77,457 -1.413,458 -0.602,459 0.648,460 -0.803,461 2,462 0.163,463 -0.828,464 -1.193,466 -2.347,467 -0.82,468 10.9,469 0.474,470 0.538,471 0.023,472 33,473 1.435,474 18.5,475 0.804,476 14.5,477 0.63,478 15.319,479 0.666,480 23.3,481 0.597,482 22.024,483 0.958,484 6.725,485 0.292,486 4.496,487 0.195,488 0.083,490 0.358,496 0.741,497 0.914,498 0.749,499 0.852,500 1.006,501 0.811,502 0.772,503 1.144,504 0.752,505 0.98,506 0.644,507 0.884,508 1.002,509 1.239,510 1.018,511 1.159,512 0.817,513 1.104,514 1.452,515 1.121,516 1.215,517 1.056,518 1.267,519 1.093,520 1.093,521 1.029,522 0.891,523 0.887,524 0.905,525 0.864,526 0.913,527 1.046,528 1.015,529 1.078,530 0.927,531 1.064,532 0.618,533 0.798,534 0.943,535 0.996,536 0.743,537 1.014,538 1.374,539 0.784,540 1.348,541 0.996,542 1.471,543 1.137,544 4,545 0.073,546 2.889,547 1.736,548 1.049,549 0.66,550 0.502,551 0.262,552 0.056,553 0.118,554 6052,555 15350,556 2.168,557 41,559 10,562 3,563 3,567 1.655,568 2.06,569 3.213,570 1.032,571 1,572 1,574 1,577 57.134,578 1.465,579 3.635,580 4.272,581 4.785,582 4.856,583 4.856,584 2.682,585 4.263,586 4.495,587 3.384,588 856.222,589 7.731,590 9617.2,591 1,592 1,593 1,594 1,595 206.131,596 1.302,597 4.469,598 0.154,599 0.006,600 0.078,601 0.05,602 0.036,603 0.024,604 0.019,605 0.012,606 0.004,607 0.009,608 0.392,609 0.33,610 1,611 0.503,612 107.277,613 0.214,614 0.251,615 0.055,616 0.104,617 -0.09,618 0.065,619 0.107,620 -0.064,621 0.103,622 0.001,623 0.083,624 0.042,625 -0.074,626 -0.199,627 -0.123,628 -0.19,629 0.012,630 -0.168,631 -0.31,632 -0.115,633 -0.233,634 -0.128,635 -0.232,636 -0.162,637 -0.086,638 -0.082,639 0.119,640 0.086,641 0.035,642 0.124,643 0.091,644 -0.053,645 -0.052,646 -0.115,647 0.047,648 -0.107,649 0.388,650 0.148,651 0.068,652 -0.023,653 0.252,654 -0.024,655 -0.375,656 0.165,657 -0.347,658 -0.026,659 -0.425,660 -0.154,661 1.17,662 1.885,663 0.87,664 18.805,665 1.001,666 1.13,667 3.218,668 10.356,669 0.688,670 3.296,671 3.638,672 3.951,673 4.22,674 4.382,675 4.454,676 4.635,677 4.771,678 4.796,679 4.828,680 5.699,681 0.661,682 304.39,683 3.296,684 4.844,685 5.714,686 6.6,687 7.484,688 8.375,689 9.265,690 10.16,691 11.053,692 11.95,693 15.4,697 1,701 2,703 3,708 2,709 8,710 3,711 1,714 5,715 1,716 21,727 1,735 39,737 21,738 2,739 26,741 42,742 17,743 15,744 4,745 8,748 4,749 5,754 1,762 15,763 2,779 1,780 1,783 16,784 4,785 3,786 6,792 6,797 0.75,807 1,815 2,816 2,819 1,843 3,847 1,851 23,852 1,858 1,871 1,881 11.167,882 7.3,883 4.972,884 2.206,886 3.915,887 1.536,888 1.053,889 3.356,890 11.225,891 3.624,892 4.304,893 4.961,894 5.587,895 6.059,896 6.406,897 6.918,898 7.397,899 7.68,900 8.012,901 1,902 35,903 8.419,905 3.585,906 7.616,907 16.174,909 13.37,911 2.116,912 48.667,916 153.024,917 105.671,918 101.203,923 105.671,924 153.024,925 101.203,926 8.825,927 2.106,928 108.707,929 49.867,930 30.14,931 7.229,932 153.024,934 153.024,935 206.874,939 153.024,943 32.127,944 124.88,945 49.867,947 153.024,948 101.203,949 105.671,952 153.024,953 21.035,954 86.412,955 16.663,956 82.764,957 153.024,958 101.203,959 105.671,961 0.587,962 0.352,963 0.19,964 0.096,965 20,966 8,967 0.071,968 3,969 1,970 1.1,971 3.607,972 190.035,973 0.1,974 20,975 100.042,981 13.976,982 5.522,983 2.492,984 1.82,985 82.764,986 16.188,987 12.66,988 2.903,991 4.568,992 1.91,993 49.56,994 359.898,995 36.5,1007 39.029,1008 44.066,1009 0.277,1010 0.688,1011 0.808,1012 0.905,1013 0.919,1014 0.919,1015 4.846,1016 1.179,1017 5.7,1018 3.233,1019 4.317,1020 4.99,1021 0.434,1022 6.529,1023 4.269,1024 6.08,1025 1.12,1026 7.27,1027 2.954,1028 3.892,1029 4.808,1031 7.452,1032 3.805,1033 7.401,1034 1,1035 8.942,1036 2.761,1037 5.927,1038 7.285,1039 0.138,1040 10.573,1041 5.827,1042 8.765,1043 0.669,1044 10.673,1045 2.136,1046 6.365,1047 7.989,1049 12.343,1050 6.223,1051 10.162,1052 0.078,1053 12.443,1054 1.578,1055 7.845,1056 9.884,1057 0.039,1058 14.963,1059 7.691,1060 11.584,1061 -0.384,1062 14.241,1063 0.199,1064 8.668,1065 11,1067 17.066,1068 8.473,1069 13.024,1070 -0.62,1071 16.057,1072 -0.92,1073 9.931,1074 12.656,1075 0.011,1076 19.515,1077 9.72,1078 3.173,1079 -0.828,1080 17.887,1081 -1.413,1082 10.926,1083 13.969,1085 21.756,1086 10.678,1087 2.991,1088 10.675,1089 19.728,1090 -2.347,1091 12.106,1092 15.524,1093 0.003,1094 24.142,1095 11.836,1096 2.551,1097 9.965,1098 21.578,1099 4.521,1100 13.177,1101 16.93,1103 26.443,1104 12.875,1105 2.234,1106 7.81,1107 23.434,1108 4.124,1109 14.326,1110 18.444,1111 0.001,1112 28.806,1113 13.999,1114 1.869,1115 6.584,1116 25.295,1117 3.452,1118 15.432,1119 19.895,1121 31.133,1122 15.075,1123 1.532,1124 5.412,1125 27.16,1126 3.073,1127 16.571,1128 21.394,1130 33.488,1131 16.188,1132 1.317,1133 4.182,1134 29.029,1135 2.635,1136 17.693,1137 22.866,1139 35.828,1140 17.282,1141 5644,1142 9122,1143 17.8,1144 26.841,1145 39.847,1146 39.563,1147 40.489,1148 39.454,1149 39.429,1150 55.282,1151 1.043,1152 114.979,1153 38.473,1154 5.352,1155 5.255,1156 6.468,1157 5.173,1158 5.173,1159 7.521,1160 1.043,1161 17.875,1162 5.095,1163 8.221,1164 1.533,1165 1.522,1166 1.557,1167 1.517,1168 1.516,1169 2.126,1170 0.04,1171 4.422,1172 1.48,1173 4.131,1174 4.174,1175 4.1,1176 4.021,1177 5.254,1178 4.034,1179 3.958,1180 4.011,1181 3.908,1182 3.859,1183 5.073,1184 3.858,1185 3.798,1186 3.848,1187 3.745,1188 3.621,1189 4.741,1190 3.652,1191 3.347,1192 3.418,1193 3.269,1194 3.158,1195 4.717,1196 3.177,1197 3.111,1198 3.198,1199 2.953,1200 2.965,1201 4.287,1202 2.95,1203 3.02,1204 3.123,1205 2.855,1206 2.826,1207 3.878,1208 2.821,1209 2.891,1210 2.998,1211 2.713,1212 2.735,1213 3.771,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.602,1219 3.674,1220 2.618,1221 0.176,1222 0.125,1223 0.256,1224 0.16,1225 0.122,1226 4.588,1227 0.174,1228 3.255,1229 0.02,1230 6.666,1231 0.411,1232 4.148,1233 0.119,1234 3.173,1235 4.521,1236 0.522,1237 10.675,1238 3.095,1239 1.957,1240 1.936,1241 2.05,1242 2.038,1243 1.203,1244 2.042,1245 1.912,1246 1.882,1247 2.021,1248 2.005,1249 1.153,1250 2.013,1251 1.563,1252 1.509,1253 1.752,1254 1.76,1255 0.879,1256 1.756,1257 1.351,1258 1.268,1259 1.492,1260 1.697,1261 0.626,1262 1.643,1263 1.248,1264 1.178,1265 1.475,1266 1.514,1267 0.376,1268 1.49,1269 1.042,1270 0.965,1271 1.26,1272 1.29,1273 0.342,1274 1.305,1275 0.886,1276 0.821,1277 1.181,1278 1.115,1279 0.218,1280 1.107,1281 0.789,1282 0.7,1283 1.06,1284 1.062,1285 0.031,1286 1.086,1287 3.97,1289 5.303,1290 3.045,1291 6.828,1292 5.416,1293 8.434,1294 7.496,1295 10.084,1297 2.029,1301 5.885,1303 0.704,1314 25.762,1315 57.134,1316 141.766,1317 166.621,1318 186.621,1319 189.376,1320 189.376,1321 25.98,1322 7.31,1323 85.41,1324 85.41,1325 22,1326 12.475,1327 4.459,1328 3.524,1329 31.934,1330 78,1331 77,1332 0.201,1333 158.686,1334 251.86,1335 378.953,1336 14361,1338 15.811,1339 0.687,1340 0.552,1341 15.811,1342 12.692,1343 11.22,1344 0.432,1345 0.285,1346 7.31,1347 10.829,1348 7.115,1349 5.931,1350 11.22,1351 7.402,1352 10.152,1353 0.274,1354 0.15,1355 10.152,1356 5.536,1357 9.068,1358 0.178,1359 0.079,1360 9.068,1361 4.023,1362 7.568,1363 0.113,1364 0.041,1365 7.568,1366 2.715,1367 5.809,1368 0.074,1369 0.022,1370 5.809,1371 1.747,1372 0.313,1373 70.002,1374 0.237,1375 22.538,1376 0.56,1377 126,1378 332.226,1379 136.435,1380 334.694,1381 475.87,1382 314,1383 151,1384 378.108,1385 163.323,1386 383.861,1387 556.68,1388 361,1389 5.1}
{0 CHEMBL1989708,1 1.63,2 15.278,3 4.038,4 16.302,5 145.241,6 8.043,7 0.675,8 4.236,9 4.355,10 3.898,11 3.828,12 5.397,13 3.795,14 4.722,15 4.876,16 4.272,17 4.228,18 5.867,19 4.173,20 4.955,21 5.137,22 4.305,23 4.348,24 6.047,25 4.265,26 5.039,27 5.255,28 4.397,29 4.371,30 6.129,31 4.273,32 5.007,33 5.21,34 4.29,35 4.309,36 6.138,37 4.212,38 4.888,39 5.099,40 4.121,41 4.19,42 5.974,43 4.099,44 4.824,45 5.035,46 4.042,47 4.141,48 5.905,49 4.046,50 4.832,51 5.044,52 4.069,53 4.152,54 5.887,55 4.035,56 0.094,57 0.955,58 11.989,59 5.424,60 16.054,61 6.597,62 0.269,63 1.506,64 22.439,65 9.393,66 31.288,67 11.71,68 0.371,69 1.809,70 29.622,71 11.513,72 49.66,73 14.297,74 0.301,75 1.971,76 36.834,77 13.344,78 45.575,79 17.344,80 0.458,81 1.921,82 39.416,83 12.802,84 59.886,85 15.289,86 0.255,87 1.648,88 30.464,89 11.334,90 46.793,91 14.49,92 0.363,93 1.572,94 28.893,95 10.204,96 50.99,97 13.022,98 0.293,99 1.55,100 29.904,101 11.518,102 38.032,103 14.719,104 28,105 57,106 0.257,107 0.641,108 0.807,109 0.868,110 0.881,111 0.886,112 3.615,113 0.928,114 -4.29,115 -4.22,116 -3.99,119 43.5,120 2,125 1,127 1,142 8,143 6,144 2,145 2,147 1,151 2,152 1,159 1,163 1,164 1,165 1,166 1,172 12,175 4,177 1,178 3,179 1,180 6,183 17,185 1,188 5,191 1,193 5,196 13,198 1,200 7,203 1,205 10,208 7,210 3,212 2,213 10,218 9,221 6,223 3,225 7,230 7,233 9,235 2,238 3,240 2,241 2,243 2,246 10,250 6,253 2,254 1,255 4,257 1,258 12,264 5,269 3,272 9,276 2634,277 24.187,278 24.187,279 24.187,280 24.187,281 24.187,282 20.87,283 22.442,284 14.156,285 24.667,286 19.786,287 19.786,288 19.786,289 19.786,290 19.786,291 14.765,292 27.679,293 6.774,294 20.57,295 4.324,296 1.896,297 0.843,298 0.456,299 0.379,300 0.347,301 4.319,306 1,307 1198,308 3.808,311 179.984,312 353.473,315 159.015,319 2.571,320 29.879,323 1,324 0.83,325 1,326 0.6,328 0.83,329 0.5,330 0.68,331 77,332 550,333 4.748,334 3.563,335 7.013,336 4.283,337 3.316,338 4.726,339 1.656,340 11.98,341 3.207,342 4.253,343 3.328,344 6.353,345 3.869,346 2.887,347 3.89,348 0.247,349 9.671,350 2.838,351 4.09,352 2.924,353 5.789,354 3.709,355 2.737,356 3.671,358 7.955,359 2.659,360 4.018,361 2.745,362 5.617,363 3.594,364 2.621,365 3.63,367 7.751,368 2.546,369 3.778,370 2.693,371 5.457,372 3.427,373 2.461,374 3.173,376 7.206,377 2.366,378 3.606,379 2.531,380 5.377,381 3.263,382 2.294,383 2.941,385 6.9,386 2.216,387 3.465,388 2.311,389 4.994,390 3.068,391 2.093,392 2.773,394 5.71,395 2.035,396 3.295,397 2.162,398 4.901,399 2.917,400 1.995,401 2.561,403 5.514,404 1.835,405 3.156,406 2.136,407 4.58,408 2.77,409 1.812,410 2.337,412 4.755,413 1.741,414 3.058,415 1.864,416 4.482,417 2.661,418 1.693,419 2.169,421 4.549,422 1.603,423 2.732,424 1.417,425 4.318,426 2.306,427 1.34,428 1.799,430 3.862,431 1.288,432 2.658,433 1.24,434 3.981,435 2.179,436 1.182,437 1.728,439 2.9,440 1.178,441 2.552,442 1.095,443 3.589,444 2.011,445 1.066,446 1.575,448 2.586,449 1,450 2.5,451 1,452 3.479,453 2,454 1,455 1.5,457 2.275,458 0.998,459 2.258,460 0.853,461 3.414,462 1.675,463 0.807,464 1.153,466 2.07,467 0.688,468 17.4,469 0.483,470 0.976,471 0.027,472 50,473 1.389,474 27,475 0.75,476 23,477 0.639,478 30.375,479 0.844,480 37.2,481 0.6,482 40.209,483 1.117,484 9.718,485 0.27,486 7.65,487 0.213,488 0.119,490 0.368,496 0.894,497 1.06,498 0.759,499 0.839,500 0.859,501 0.82,502 0.698,503 1.001,504 0.831,505 0.905,506 0.599,507 0.867,508 1.203,509 1.026,510 0.99,511 0.912,512 1.168,513 0.997,514 0.743,515 1.131,516 0.877,517 1.014,518 0.625,519 0.922,520 1.295,521 1.07,522 1.37,523 1.193,524 1.276,525 1.034,526 1.027,527 1.159,528 0.975,529 1.04,530 1.07,531 1.012,532 1.1,533 0.938,534 1.082,535 0.983,536 1.165,537 1.008,538 0.668,539 1.062,540 1.003,541 1.156,542 0.673,543 1.1,544 8,545 0.17,546 3.556,547 2.75,548 2.024,549 1.439,550 0.778,551 0.57,552 0.395,553 0.409,554 21836,555 58490,556 2.103,557 41.9,558 3,559 11,560 2,561 2,562 5,564 3,567 1.77,568 1.964,569 3.864,570 2.245,577 101.057,578 1.63,579 4.058,580 5.111,581 5.498,582 5.575,583 5.607,584 3.398,585 4.892,586 5.134,587 4.074,588 2566.87,589 9.008,590 42347.1,595 369.16,596 1.426,597 5.099,598 0.2,599 0.005,600 0.062,601 0.049,602 0.035,603 0.028,604 0.017,605 0.013,606 0.009,607 0.011,608 0.43,610 0.75,611 0.826,612 199.473,613 -0.074,614 0.07,615 0.039,616 0.103,617 -0.155,618 0.073,619 0.132,620 0.082,621 0.065,622 0.078,623 0.098,624 0.067,625 -0.171,626 0.01,627 -0.086,628 0.041,629 -0.188,630 -0.06,631 0.08,632 -0.119,633 0.177,634 0.024,635 0.134,636 0.076,637 -0.15,638 -0.006,639 -0.159,640 -0.091,641 -0.105,642 -0.069,643 -0.082,644 -0.171,645 -0.019,646 -0.064,647 -0.043,648 -0.033,649 -0.126,650 0.086,651 -0.119,652 -0.014,653 -0.154,654 -0.049,655 0.134,656 -0.087,657 0.007,658 -0.123,659 0.071,660 -0.09,661 1.969,662 5.393,663 0.722,664 50.25,665 1.003,666 1.121,667 3.057,668 9.348,669 0.697,670 3.714,671 4.06,672 4.331,673 4.654,674 4.852,675 4.997,676 5.159,677 5.342,678 5.455,679 5.572,680 8.815,681 0.662,682 498.66,683 3.714,684 5.273,685 6.129,686 7.024,687 7.899,688 8.8,689 9.687,690 10.593,691 11.487,692 12.397,693 9.7,697 1,700 2,701 1,703 2,708 2,709 12,710 2,713 1,714 8,715 1,716 27,727 1,735 62,737 28,738 2,739 40,741 66,742 27,743 22,744 4,745 8,748 5,749 6,753 1,754 2,760 1,762 23,763 4,767 1,772 1,776 1,783 26,784 7,785 5,786 9,787 1,792 6,797 0.8,798 2,800 1,807 1,809 1,815 2,816 3,819 1,841 1,843 4,845 1,847 2,851 36,852 1,857 1,858 1,860 2,863 1,869 1,874 3.2,875 1,877 1,881 18.333,882 11.55,883 7.75,884 3.498,886 5.101,887 1.591,888 1.001,889 6.942,890 13.738,891 4.016,892 4.668,893 5.288,894 5.959,895 6.482,896 6.893,897 7.382,898 7.896,899 8.281,900 8.692,901 1,902 56,903 13.269,905 5.69,906 7.75,907 25.254,909 20.877,911 2.25,912 81,916 247.193,917 192.999,918 104.144,920 67.828,922 31.278,923 161.721,924 315.021,925 104.144,926 17.65,927 38.127,928 168.087,929 82.136,930 43.886,931 30.892,932 231.386,934 247.193,935 265.865,936 67.828,937 31.278,939 211.88,940 60.458,941 42.683,943 75.649,944 156.768,945 33.449,946 31.278,947 247.193,948 171.972,949 192.999,952 247.193,953 64.747,954 130.028,955 36.022,956 134.174,957 247.193,958 171.972,959 192.999,961 0.586,962 0.331,963 0.188,964 0.099,965 28,966 13,967 0.091,968 6,969 1,970 1.077,971 4.702,972 346.541,973 0.077,974 26,975 180.117,977 1,981 24.286,982 10.29,983 5.4,984 1.91,985 170.195,986 22.79,987 8.801,990 1.599,991 6.769,992 1.72,993 111.602,994 612.164,995 54.5,1000 12.393,1004 -0.302,1007 62.178,1008 69.481,1009 0.274,1010 0.682,1011 0.858,1012 0.923,1013 0.936,1014 0.942,1015 5.256,1016 1.995,1017 6.125,1018 5.71,1019 4.745,1020 5.357,1021 1.758,1022 6.948,1023 4.671,1024 6.485,1025 1.812,1026 7.687,1027 5.514,1028 4.369,1029 5.198,1030 1.195,1031 7.863,1032 4.282,1033 7.801,1034 1.693,1035 9.346,1036 4.755,1037 6.347,1038 7.609,1039 2.415,1040 10.989,1041 6.215,1042 9.154,1043 1.34,1044 11.064,1045 4.549,1046 6.77,1047 8.297,1048 2.324,1049 12.785,1050 6.618,1051 10.538,1052 1.182,1053 12.823,1054 3.862,1055 8.233,1056 10.176,1057 3.244,1058 15.451,1059 8.046,1060 11.947,1061 1.066,1062 14.612,1063 2.9,1064 9.034,1065 11.286,1066 3.407,1067 17.636,1068 8.823,1069 13.375,1070 1,1071 16.426,1072 2.586,1073 10.298,1074 12.948,1075 4.156,1076 20.159,1077 10.055,1078 3.316,1079 0.807,1080 18.259,1081 2.275,1082 11.288,1083 14.275,1084 4.464,1085 22.513,1086 11.015,1087 2.887,1088 11.98,1089 20.11,1090 2.07,1091 12.478,1092 15.851,1093 5.111,1094 24.996,1095 12.175,1096 2.737,1097 9.671,1098 21.974,1099 4.726,1100 13.562,1101 17.288,1102 5.504,1103 27.42,1104 13.225,1105 2.621,1106 7.955,1107 23.851,1108 3.89,1109 14.731,1110 18.835,1111 6.091,1112 29.894,1113 14.362,1114 2.461,1115 7.751,1116 25.738,1117 3.671,1118 15.861,1119 20.327,1120 6.531,1121 32.348,1122 15.458,1123 2.294,1124 7.206,1125 27.633,1126 3.63,1127 17.029,1128 21.866,1129 7.083,1130 34.823,1131 16.592,1132 2.093,1133 6.9,1134 29.536,1135 3.173,1136 18.185,1137 23.386,1138 7.551,1139 37.291,1140 17.713,1141 20516,1142 33754,1143 26.759,1144 43.205,1145 61.037,1146 61.218,1147 62.251,1148 60.015,1149 60.103,1150 81.399,1151 3.806,1152 175.071,1153 57.728,1154 5.614,1155 5.563,1156 6.569,1157 5.396,1158 5.316,1159 7.726,1160 2.912,1161 19.548,1162 5.207,1163 18.877,1164 1.526,1165 1.53,1166 1.556,1167 1.5,1168 1.503,1169 2.035,1170 0.095,1171 4.377,1172 1.443,1173 4.142,1174 4.16,1175 4.346,1176 4.137,1177 7.431,1178 4.1,1179 3.939,1180 3.98,1181 3.885,1182 3.861,1183 6.45,1184 3.858,1185 3.913,1186 3.955,1187 3.879,1188 3.808,1189 5.191,1190 3.812,1191 3.808,1192 3.847,1193 3.795,1194 3.682,1195 4.93,1196 3.686,1197 3.523,1198 3.576,1199 3.459,1200 3.367,1201 4.784,1202 3.359,1203 3.436,1204 3.486,1205 3.383,1206 3.184,1207 4.742,1208 3.22,1209 3.266,1210 3.319,1211 3.351,1212 3.122,1213 4.562,1214 3.11,1215 3.144,1216 3.222,1217 3.008,1218 2.986,1219 4.243,1220 2.968,1221 0.119,1222 0.089,1223 0.175,1224 0.107,1225 0.083,1226 4.748,1227 0.118,1228 3.563,1229 0.041,1230 7.013,1231 0.299,1232 4.283,1233 0.08,1234 3.316,1235 4.726,1236 1.656,1237 11.98,1238 3.207,1239 1.966,1240 1.947,1241 2.044,1242 2.049,1243 1.192,1244 2.047,1245 1.913,1246 1.884,1247 2.028,1248 2.008,1249 1.132,1250 2.015,1251 1.846,1252 1.828,1253 1.907,1254 1.938,1255 1.122,1256 1.94,1257 1.656,1258 1.593,1259 1.867,1260 1.898,1261 1.048,1262 1.889,1263 1.461,1264 1.437,1265 1.569,1266 1.626,1267 0.7,1268 1.606,1269 1.31,1270 1.269,1271 1.548,1272 1.545,1273 0.614,1274 1.542,1275 1.246,1276 1.207,1277 1.462,1278 1.519,1279 0.584,1280 1.506,1281 1.198,1282 1.105,1283 1.386,1284 1.396,1285 0.466,1286 1.429,1287 4.394,1289 5.733,1290 3.045,1291 7.249,1292 5.352,1293 8.853,1294 7.434,1295 10.509,1297 3.707,1301 6.313,1302 9.653,1303 0.421,1305 5.711,1308 -0.485,1314 41.013,1315 101.057,1316 251.611,1317 316.896,1318 340.896,1319 345.65,1320 347.65,1321 61.189,1322 8.637,1323 118.09,1324 146.33,1325 28,1326 12.916,1327 4.858,1328 3.954,1329 54.779,1330 188,1331 188,1332 0.14,1333 254.63,1334 427.13,1335 613.056,1336 81258,1338 25.233,1339 0.701,1340 0.575,1341 25.587,1342 20.712,1343 17.368,1344 0.434,1345 0.309,1346 11.434,1347 16.371,1348 11.022,1349 9.181,1350 17.822,1351 12.368,1352 16.265,1353 0.285,1354 0.169,1355 16.789,1356 9.616,1357 12.99,1358 0.173,1359 0.09,1360 13.694,1361 6.763,1362 11.671,1363 0.112,1364 0.05,1365 12.64,1366 5.228,1367 8.946,1368 0.07,1369 0.027,1370 9.813,1371 3.394,1372 0.225,1373 112.531,1374 0.193,1375 33.496,1376 0.366,1377 194,1378 531.659,1379 231.48,1380 547.76,1381 757.32,1382 512,1383 229,1384 554.588,1385 265.027,1386 581.384,1387 847.09,1388 546,1389 7.25}
{0 CHEMBL1989805,1 1.847,2 8.63,3 0.977,4 0.954,5 98.22,6 9.754,7 0.333,8 3.828,9 3.907,10 3.648,11 3.427,12 5.176,13 3.438,14 4.286,15 4.369,16 4.079,17 3.833,18 5.615,19 3.827,20 4.486,21 4.596,22 4.159,23 3.942,24 5.778,25 3.921,26 4.59,27 4.699,28 4.374,29 4.031,30 6.079,31 4.028,32 4.692,33 4.806,34 4.371,35 4.053,36 6.263,37 4.042,38 4.624,39 4.747,40 4.164,41 3.86,42 6.406,43 3.865,44 4.473,45 4.669,46 3.549,47 3.582,48 5.838,49 3.537,50 4.185,51 4.382,52 3.413,53 3.33,54 5.524,55 3.312,56 0.179,57 0.587,58 4.374,59 3.165,60 23.193,61 2.625,62 0.362,63 0.907,64 8.608,65 5.559,66 38.23,67 5.077,68 0.517,69 1.088,70 14.574,71 7.333,72 66.208,73 6.044,74 0.552,75 1.297,76 16.232,77 7.648,78 85.996,79 6.488,80 0.823,81 1.358,82 22.617,83 9.343,84 102.553,85 8.133,86 0.81,87 1.28,88 17.342,89 7.504,90 155.212,91 5.964,92 0.786,93 1.022,94 18.816,95 6.641,96 122.595,97 5.995,98 0.547,99 0.709,100 13.987,101 5.44,102 61.392,103 6.202,104 30,105 44,106 0.321,107 0.715,108 0.811,109 0.883,110 0.901,111 0.901,112 3.342,113 0.859,114 -0.81,115 -0.92,116 -1.03,119 46.2,122 1,135 1,136 2,138 1,139 2,142 4,151 2,152 2,158 3,163 2,164 2,165 2,172 4,174 1,175 11,177 2,178 2,180 2,183 5,185 2,188 8,193 2,196 5,198 2,199 2,200 6,202 3,203 3,205 4,208 5,210 4,212 5,213 7,215 2,216 2,218 3,221 4,223 3,224 3,225 8,227 3,228 3,229 1,230 3,232 2,233 2,235 3,236 1,237 1,238 5,240 1,241 1,243 1,246 4,248 1,249 1,250 2,252 1,253 1,255 2,258 3,260 2,263 2,264 4,269 1,272 1,274 1,276 967,277 18.267,278 18.267,279 18.267,280 18.267,281 18.267,282 15.966,283 17.343,284 10.545,285 18.506,286 14.724,287 14.724,288 14.724,289 14.724,290 14.724,291 11.136,292 18.162,293 4.871,294 15.159,295 3.438,296 1.171,297 0.615,298 0.205,299 0.103,300 0.103,301 4.029,305 1,306 1,307 504,308 3.162,311 193.871,312 68.71,315 105.222,319 1.347,320 44.26,323 1,324 1,325 1,326 0.4,328 0.83,329 1,330 0.75,331 60,332 233,333 4.748,334 4.723,335 7.26,336 4.419,337 3.463,338 4.194,339 3.151,340 12.902,341 3.33,342 4.248,343 4.139,344 6.63,345 3.931,346 2.96,347 3.704,348 2.278,349 10.506,350 2.852,351 4.036,352 3.703,353 6.16,354 3.558,355 2.577,356 3.476,357 1.248,358 8.714,359 2.533,360 3.949,361 3.436,362 5.797,363 3.536,364 2.545,365 3.4,366 1.197,367 7.859,368 2.514,369 3.777,370 3.249,371 5.379,372 3.321,373 2.329,374 3.195,375 0.98,376 6.79,377 2.302,378 3.356,379 3.074,380 5.15,381 2.834,382 1.881,383 2.349,384 0.437,385 5.797,386 1.779,387 3.106,388 2.576,389 4.699,390 2.596,391 1.623,392 2.093,394 4.411,395 1.555,396 3.009,397 2.46,398 4.323,399 2.333,400 1.35,401 1.821,403 3.471,404 1.309,405 2.793,406 2.078,407 3.73,408 2.13,409 1.159,410 1.604,412 2.592,413 1.115,414 2.477,415 1.581,416 3.416,417 1.889,418 0.926,419 1.305,421 2.179,422 0.874,423 2.262,424 1.232,425 3.382,426 1.65,427 0.687,428 0.996,430 1.492,431 0.657,432 2.118,433 1.152,434 3.045,435 1.618,436 0.618,437 0.927,439 1.372,440 0.618,441 2.118,442 0.785,443 3,444 1.618,445 0.618,446 0.927,448 1.372,449 0.618,450 1.509,451 0.618,452 3,453 0.951,454 0.014,455 0.02,457 0.029,458 0.013,459 1.296,460 0.618,461 2.772,462 0.883,463 -0.101,464 -0.13,466 -0.272,467 -0.098,468 12.767,469 0.473,470 0.734,471 0.027,472 36,473 1.333,474 18,475 0.667,476 18,477 0.667,478 22.034,479 0.816,480 27.433,481 0.703,482 29.425,483 1.09,484 7.298,485 0.27,486 5.726,487 0.212,488 0.146,490 0.423,496 0.872,497 0.972,498 0.669,499 0.773,500 0.674,501 0.681,502 0.774,503 0.973,504 0.726,505 0.921,506 0.527,507 0.823,508 1.142,509 1.066,510 1.026,511 0.993,512 0.972,513 0.901,514 0.853,515 1.109,516 0.942,517 1.151,518 1.053,519 0.907,520 0.836,521 1.171,522 1.225,523 1.261,524 1.114,525 0.985,526 1.185,527 1.296,528 1.274,529 1.259,530 1.141,531 1.217,532 1.323,533 0.746,534 1.281,535 0.861,536 1.628,537 1.12,538 0.963,539 0.796,540 0.663,541 0.728,542 0.782,543 0.889,544 4.5,545 0.034,546 2.889,547 2.917,548 2.542,549 1.886,550 0.866,551 0.375,552 0.26,553 0.105,554 7517,555 26908,556 2.075,557 30.8,559 5,560 2,562 4,563 1,567 1.711,568 1.906,569 3.034,570 1.771,572 1,577 72.052,578 1.847,579 4.115,580 4.67,581 5.08,582 5.183,583 5.183,584 2.552,585 4.236,586 4.723,587 3.225,588 1132,589 8.256,590 13688.8,591 1,592 1,595 206.131,596 1.506,597 4.668,598 0.15,599 0.003,600 0.066,601 0.063,602 0.047,603 0.034,604 0.02,605 0.015,606 0.011,607 0.007,608 0.416,609 0.33,610 1,611 0.905,612 129.29,613 -0.159,614 0.076,615 0.009,616 0.099,617 -0.105,618 0.098,619 0.038,620 0.018,621 0.092,622 0.037,623 0.054,624 0.029,625 -0.218,626 -0.081,627 -0.038,628 0.042,629 -0.144,630 0.019,631 0.028,632 -0.035,633 0.103,634 -0.101,635 -0.049,636 -0.028,637 0.187,638 -0.129,639 -0.043,640 -0.137,641 0.034,642 -0.052,643 -0.039,644 -0.24,645 -0.273,646 -0.291,647 0.257,648 -0.356,649 -0.232,650 0.222,651 -0.317,652 0.041,653 -0.352,654 -0.088,655 0.09,656 0.039,657 0.222,658 0.147,659 0.086,660 0.233,661 2.434,662 5.861,663 0.704,664 22.178,665 1.034,666 1.113,667 -0.424,668 0.18,669 0.732,670 3.434,671 3.807,672 4.174,673 4.543,674 4.754,675 4.97,676 5.124,677 5.231,678 5.236,679 5.247,680 5.316,681 0.724,682 380.41,683 3.434,684 5.004,685 5.9,686 6.825,687 7.748,688 8.684,689 9.617,690 10.558,691 11.497,692 12.441,693 10.3,694 1,700 2,702 1,709 6,712 2,714 2,716 10,735 39,737 16,739 30,741 42,742 18,743 8,746 6,748 4,749 5,758 1,761 1,762 16,763 1,764 1,767 5,772 2,774 1,776 7,779 1,780 1,782 2,783 12,784 8,785 4,786 9,787 1,792 4,797 0.75,798 4,815 3,816 1,819 1,825 1,828 1,830 1,834 2,835 2,836 1,843 3,844 1,845 1,851 27,852 2,862 1,863 1,864 1,866 1,870 1,872 1,874 10.3,877 2,879 2,881 14.167,882 7.067,883 5.944,884 2.068,886 2.566,887 1.342,888 1.015,889 4.381,890 10.075,891 3.761,892 4.337,893 4.933,894 5.518,895 5.878,896 6.351,897 6.734,898 7.097,899 7.335,900 7.67,901 0.833,902 46,903 10.007,905 4.541,906 8.154,907 18.098,909 15.083,911 2.654,912 71.667,916 94.169,917 151.36,918 99.978,920 69.305,922 32.22,923 119.141,924 163.473,925 99.978,927 68.919,928 70.86,929 77.852,930 59.895,931 34.44,932 102.846,934 94.169,935 219.119,936 69.305,937 32.22,939 94.169,940 69.305,943 99.978,944 108.114,945 11.027,946 32.22,947 94.169,948 169.283,949 151.36,952 94.169,953 63.898,954 73.985,955 16.602,956 166.158,957 94.169,958 169.283,959 151.36,961 0.587,962 0.367,963 0.221,964 0.116,965 23,966 11,967 0.071,968 3,969 1,970 1.105,971 3.645,972 252.879,973 0.105,974 19,975 128.382,977 1,981 17.588,982 6.726,983 2.779,985 169.283,986 9.527,989 10.638,991 0.81,993 65.794,994 414.812,995 42,1000 25.123,1002 1.54,1004 -0.626,1007 40.327,1008 43.412,1009 0.35,1010 0.779,1011 0.884,1012 0.961,1013 0.981,1014 0.981,1015 5.04,1016 1.35,1017 5.916,1018 4.411,1019 4.489,1020 5.024,1021 3.651,1022 6.83,1023 4.429,1024 6.278,1025 1.159,1026 7.537,1027 3.471,1028 4.205,1029 4.82,1030 1.185,1031 7.938,1032 4.114,1033 7.613,1034 0.926,1035 9.264,1036 2.592,1037 6.168,1038 7.187,1039 5.556,1040 11.134,1041 6.045,1042 8.984,1043 0.687,1044 11.053,1045 2.179,1046 6.746,1047 7.837,1048 2.262,1049 13.093,1050 6.584,1051 10.388,1052 0.618,1053 12.882,1054 1.492,1055 8.182,1056 9.615,1057 7.712,1058 15.831,1059 7.986,1060 11.814,1061 0.618,1062 14.739,1063 1.372,1064 9.127,1065 10.647,1066 3.889,1067 18.133,1068 8.886,1069 13.259,1070 0.014,1071 16.616,1072 1.372,1073 10.395,1074 12.194,1075 9.943,1076 20.732,1077 10.117,1078 3.463,1079 -0.101,1080 18.509,1081 0.029,1082 11.497,1083 13.411,1084 5.898,1085 23.177,1086 11.173,1087 2.96,1088 12.902,1089 20.415,1090 -0.272,1091 12.719,1092 14.864,1093 12.205,1094 25.734,1095 12.356,1096 2.577,1097 10.506,1098 22.33,1099 4.194,1100 13.89,1101 16.174,1102 8.068,1103 28.239,1104 13.481,1105 2.545,1106 8.714,1107 24.255,1108 3.704,1109 15.105,1110 17.592,1111 14.482,1112 30.787,1113 14.655,1114 2.329,1115 7.859,1116 26.187,1117 3.476,1118 16.307,1119 18.95,1120 10.326,1121 33.317,1122 15.813,1123 1.881,1124 6.79,1125 28.124,1126 3.4,1127 17.526,1128 20.359,1129 16.768,1130 35.865,1131 16.992,1132 1.623,1133 5.797,1134 30.068,1135 3.195,1136 18.744,1137 21.744,1138 12.643,1139 38.408,1140 18.167,1141 7256,1142 13857,1143 19.709,1144 28.534,1145 47.811,1146 51.482,1147 47.812,1148 45.56,1149 45.503,1150 60.021,1151 18.583,1152 138.974,1153 44.136,1154 5.641,1155 6.67,1156 6.873,1157 5.562,1158 5.463,1159 6.973,1160 6.301,1161 20.902,1162 5.31,1163 14.066,1164 1.594,1165 1.716,1166 1.594,1167 1.519,1168 1.517,1169 2.001,1170 0.619,1171 4.632,1172 1.471,1173 4.049,1174 4.062,1175 4.157,1176 3.96,1177 7.438,1178 3.957,1179 3.899,1180 3.904,1181 3.869,1182 3.765,1183 7.427,1184 3.779,1185 3.766,1186 3.78,1187 3.772,1188 3.621,1189 6.82,1190 3.632,1191 3.457,1192 3.486,1193 3.536,1194 3.375,1195 5.107,1196 3.362,1197 3.442,1198 3.468,1199 3.401,1200 3.22,1201 5.076,1202 3.258,1203 2.992,1204 3.086,1205 2.993,1206 2.745,1207 5.024,1208 2.783,1209 2.912,1210 3.003,1211 2.916,1212 2.645,1213 4.883,1214 2.665,1215 2.778,1216 2.832,1217 2.672,1218 2.542,1219 4.278,1220 2.548,1221 0.158,1222 0.157,1223 0.242,1224 0.147,1225 0.115,1226 4.748,1227 0.14,1228 4.723,1229 0.105,1230 7.26,1231 0.43,1232 4.419,1233 0.111,1234 3.463,1235 4.194,1236 3.151,1237 12.902,1238 3.33,1239 1.869,1240 1.851,1241 1.913,1242 1.994,1243 1.19,1244 1.972,1245 1.642,1246 1.635,1247 1.722,1248 1.749,1249 0.844,1250 1.741,1251 1.455,1252 1.416,1253 1.63,1254 1.597,1255 0.667,1256 1.603,1257 1.414,1258 1.385,1259 1.56,1260 1.587,1261 0.593,1262 1.589,1263 1.317,1264 1.29,1265 1.435,1266 1.585,1267 0.34,1268 1.549,1269 1.22,1270 1.215,1271 1.348,1272 1.523,1273 0.287,1274 1.466,1275 1.063,1276 1.067,1277 1.141,1278 1.337,1279 0.099,1280 1.273,1281 0.919,1282 0.876,1283 1.077,1284 1.189,1286 1.158,1287 4.111,1289 5.468,1290 3.434,1291 7.018,1292 5.687,1293 8.675,1294 7.703,1295 10.399,1301 11.738,1307 1.046,1308 -0.878,1309 1.136,1312 9.631,1313 1.982,1314 28.239,1315 72.052,1316 160.479,1317 182.131,1318 198.131,1319 202.131,1320 202.131,1321 63.992,1322 7.509,1323 141.18,1324 169.42,1325 21,1326 12.935,1327 4.087,1328 3.7,1329 39.771,1330 87,1331 88,1332 0.237,1333 175.951,1334 317.35,1335 421.08,1336 15608,1338 19.129,1339 0.708,1340 0.538,1341 19.483,1342 14.526,1343 13.024,1344 0.434,1345 0.286,1346 7.707,1347 11.993,1348 7.529,1349 6.179,1350 13.432,1351 8.588,1352 11.857,1353 0.269,1354 0.153,1355 12.473,1356 6.74,1357 10.432,1358 0.163,1359 0.083,1360 11.261,1361 5.287,1362 9.489,1363 0.102,1364 0.045,1365 10.602,1366 4.192,1367 6.982,1368 0.061,1369 0.024,1370 7.986,1371 2.765,1372 0.352,1373 86.629,1374 0.225,1375 25.038,1376 0.715,1377 148,1378 519.717,1379 191.578,1380 517.739,1381 698.29,1382 480,1383 182,1384 498.067,1385 225.179,1386 514.563,1387 760.62,1388 484,1389 5.1}
{0 CHEMBL1989856,1 1.644,2 6.158,3 2.742,4 7.52,5 68.799,6 8.974,7 0.714,8 3.478,9 3.563,10 3.197,11 3.085,12 4.831,13 3.103,14 3.931,15 4.052,16 3.587,17 3.47,18 5.175,19 3.479,20 4.14,21 4.267,22 3.755,23 3.607,24 5.465,25 3.629,26 4.286,27 4.426,28 3.772,29 3.606,30 5.841,31 3.618,32 4.227,33 4.41,34 3.438,35 3.406,36 5.7,37 3.402,38 3.89,39 4.063,40 3.144,41 3.129,42 5.566,43 3.085,44 3.537,45 3.754,46 2.403,47 2.675,48 4.905,49 2.555,50 3.195,51 3.51,52 1.297,53 2,54 4.248,55 1.749,56 0.076,57 0.402,58 3.492,59 2.167,60 11.478,61 2.141,62 0.174,63 0.648,64 6.666,65 3.544,66 22.808,67 3.905,68 0.167,69 0.795,70 8.313,71 4.224,72 28.707,73 4.441,74 0.421,75 0.895,76 10.685,77 4.876,78 57.16,79 5.086,80 0.446,81 0.801,82 13.234,83 4.623,84 84.814,85 4.16,86 0.29,87 0.551,88 8.578,89 3.758,90 70.455,91 4.304,92 0.153,93 0.388,94 6.646,95 2.773,96 32.474,97 3.251,98 0.153,99 0.251,100 7.113,101 2.319,102 32.495,103 3.175,104 21,105 31,106 0.308,107 0.737,108 0.802,109 0.855,110 0.868,111 0.868,112 3.014,113 0.81,114 -3.3,115 -3.28,116 -3.15,119 50,120 1,142 4,143 3,146 1,152 1,153 1,155 1,158 1,161 1,172 6,174 1,175 7,178 1,180 1,183 5,188 8,193 1,196 1,199 3,200 9,203 2,205 3,208 3,218 2,221 6,224 2,225 3,228 1,230 1,233 5,238 4,246 2,250 1,276 338,277 13,278 13,279 13,280 13,281 13,282 11.047,283 7.146,284 7.351,285 13.165,286 10.189,287 10.189,288 10.189,289 10.189,290 10.189,291 7.089,292 6.908,293 3.234,294 10.508,295 3.164,296 0.87,297 0.527,298 0.241,299 0.17,300 0.17,301 3.686,305 1,306 1,307 248,308 2.449,311 24.239,312 71.349,315 100.624,319 0.831,320 25.867,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 41.5,332 117,333 4.873,334 4.091,335 7.149,336 4.364,337 3.413,338 4.965,339 2.035,340 12.462,341 3.253,342 4.273,343 3.449,344 6.411,345 3.814,346 2.83,347 3.997,349 9.714,350 2.777,351 3.88,352 3.01,353 5.998,354 3.387,355 2.421,356 3.32,358 8.223,359 2.337,360 3.543,361 2.671,362 5.587,363 3.048,364 2.088,365 2.994,367 6.871,368 1.994,369 3.242,370 2.434,371 4.648,372 2.517,373 1.548,374 2.294,376 4.432,377 1.498,378 2.968,379 2.074,380 3.975,381 2.316,382 1.333,383 1.954,385 2.965,386 1.308,387 2.806,388 1.548,389 3.686,390 1.992,391 1,392 1.526,394 2.345,395 0.975,396 2.502,397 1.395,398 3.564,399 1.862,400 0.864,401 1.271,403 1.674,404 0.858,405 1.956,406 0.987,407 3.106,408 1.392,409 0.427,410 0.623,412 0.968,413 0.407,414 1.594,415 0.623,416 2.601,417 0.833,418 -0.115,419 -0.202,421 -0.181,422 -0.108,423 1.15,424 0.422,425 2.375,426 0.724,427 -0.304,428 -0.432,430 -0.522,431 -0.311,432 0.681,433 -0.509,434 2.214,435 0.193,436 -0.77,437 -1.11,439 -1.863,440 -0.73,441 0.58,442 -0.834,443 2,444 0.09,445 -0.875,446 -1.284,448 -2.218,449 -0.845,450 0.203,451 -0.906,452 2,453 -0.279,454 -1.238,455 -1.781,457 -3.543,458 -1.178,459 -0.207,460 -1.152,461 1.599,462 -0.49,463 -1.47,464 -1.914,466 -3.906,467 -1.417,468 8.867,469 0.467,470 0.487,471 0.026,472 29.5,473 1.553,474 17,475 0.895,476 12.5,477 0.658,478 11.066,479 0.582,480 18.733,481 0.669,482 20.143,483 1.06,484 5.878,485 0.309,486 3.307,487 0.174,488 0.177,490 0.44,496 0.794,497 1.135,498 0.642,499 0.882,500 0.625,501 0.764,502 0.584,503 1.004,504 0.6,505 0.824,506 0.562,507 0.745,508 0.854,509 1.247,510 0.708,511 1.011,512 0.644,513 0.857,514 0.882,515 1.071,516 0.974,517 1.114,518 0.838,519 1.075,520 1.793,521 0.789,522 1.381,523 0.802,524 1.737,525 0.931,526 0.876,527 0.976,528 1.139,529 1.204,530 0.934,531 1.247,532 1.017,533 1.156,534 1.485,535 1.417,536 1.432,537 1.537,538 0.974,539 0.738,540 1.295,541 1.042,542 1.305,543 1.21,544 3,546 2.667,547 2.417,548 1.769,549 0.907,550 0.294,551 0.125,552 0.02,554 2613,555 9027,556 2.05,557 32.1,558 3,559 4,561 1,562 1,567 1.615,568 1.869,569 2.649,570 -0.249,572 1,574 1,577 46.019,578 1.644,579 3.937,580 4.28,581 4.566,582 4.638,583 4.638,584 2.076,585 3.932,586 4.221,587 2.716,588 464.366,589 7.248,590 4392.33,591 1,592 1,594 1,595 134.606,596 1.529,597 4.153,598 0.143,600 0.086,601 0.067,602 0.052,603 0.038,604 0.017,605 0.018,606 0.02,608 0.441,609 0.67,610 1,611 1.039,612 78.603,613 -0.108,614 -0.133,615 0.005,616 0.011,617 -0.051,618 0.026,619 0.095,620 0.009,621 0.147,622 0.088,623 -0.025,624 0.111,625 -0.08,626 -0.231,627 0.074,628 -0.112,629 -0.019,630 -0.007,631 0.189,632 -0.057,633 -0.086,634 -0.207,635 0.118,636 -0.214,637 -0.462,638 0.203,639 -0.318,640 0.155,641 -0.343,642 0.017,643 0.19,644 -0.071,645 -0.113,646 -0.207,647 0.285,648 -0.238,649 -0.136,650 -0.274,651 -0.365,652 -0.386,653 -0.235,654 -0.423,655 -0.01,656 0.047,657 0.211,658 0.138,659 -0.132,660 0.208,661 1.852,662 4.22,663 0.684,664 10.853,665 1.022,666 1.113,667 2.066,668 4.268,669 0.722,670 3.091,671 3.466,672 3.871,673 4.22,674 4.466,675 4.625,676 4.71,677 4.771,678 4.605,679 4.431,680 3.923,681 0.717,682 251.26,683 3.091,684 4.654,685 5.565,686 6.494,687 7.425,688 8.364,689 9.301,690 10.243,691 11.182,692 12.125,693 10.7,701 1,702 1,703 1,708 3,709 4,710 1,714 4,716 15,717 1,718 1,732 1,735 28,737 17,738 1,739 21,741 30,742 14,743 11,744 2,745 4,746 1,748 3,749 6,754 1,761 1,762 12,763 1,767 1,772 1,774 1,780 1,783 9,784 4,785 1,786 5,789 1,792 3,797 0.333,798 2,809 1,815 1,816 2,819 2,843 1,847 1,851 19,857 1,866 1,870 1,872 1,874 7.1,876 1,877 1,881 10.167,882 5.633,883 4.306,884 1.614,886 3.542,887 1.518,888 0.984,889 2.429,890 10.376,891 3.481,892 4.178,893 4.972,894 5.732,895 6.382,896 6.932,897 7.43,898 7.892,899 8.106,900 8.355,901 1,902 36,903 6.981,905 3.084,906 8.14,907 12.776,909 10.56,911 2.64,912 50.167,916 94.169,917 90.316,918 49.131,920 67.828,923 90.316,924 161.997,925 49.131,926 8.825,928 37.905,929 126.126,930 44.047,931 2.144,932 82.398,934 94.169,935 139.448,936 67.828,939 94.169,940 67.828,943 45.03,944 66.208,945 28.21,947 94.169,948 116.96,949 90.316,952 94.169,953 15.56,954 59.441,955 16.602,956 115.673,957 94.169,958 116.96,959 90.316,961 0.583,962 0.389,963 0.233,964 0.123,965 17,966 8,967 0.033,968 1,969 2,970 1.308,971 2.933,972 153.121,973 0.308,974 13,975 80.711,981 11.552,982 3.995,983 1.419,984 1.69,985 115.673,986 7.201,987 4.348,991 0.677,993 42.683,994 301.445,995 31.5,1000 11.115,1002 0.555,1007 28.611,1008 31.159,1009 0.342,1010 0.819,1011 0.89,1012 0.95,1013 0.965,1014 0.965,1015 4.734,1016 0.864,1017 5.587,1018 2.345,1019 4.143,1020 4.864,1021 2.228,1022 6.524,1023 4.077,1024 6.013,1025 0.427,1026 7.228,1027 1.674,1028 3.892,1029 4.913,1031 7.667,1032 3.769,1033 7.375,1034 -0.115,1035 8.971,1036 0.968,1037 5.849,1038 7.308,1039 3.563,1040 10.854,1041 5.705,1042 8.781,1043 -0.304,1044 10.774,1045 -0.181,1046 6.447,1047 8.23,1049 12.803,1050 6.242,1051 10.222,1052 -0.77,1053 12.612,1054 -0.522,1055 7.895,1056 10.096,1057 4.962,1058 15.532,1059 7.662,1060 11.69,1061 -0.875,1062 14.474,1063 -1.863,1064 8.854,1065 11.402,1067 17.806,1068 8.56,1069 13.179,1070 -1.238,1071 16.354,1072 -2.218,1073 10.132,1074 13.082,1075 6.378,1076 20.39,1077 9.802,1078 3.413,1079 -1.47,1080 18.246,1081 -3.543,1082 11.241,1083 14.556,1085 22.803,1086 10.853,1087 2.83,1088 12.462,1089 20.148,1090 -3.906,1091 12.468,1092 16.173,1093 7.797,1094 25.34,1095 12.036,1096 2.421,1097 9.714,1098 22.058,1099 4.965,1100 13.639,1101 17.718,1103 27.812,1104 13.153,1105 2.088,1106 8.223,1107 23.976,1108 3.997,1109 14.854,1110 19.317,1111 9.217,1112 30.335,1113 14.32,1114 1.548,1115 6.871,1116 25.9,1117 3.32,1118 16.052,1119 20.892,1121 32.833,1122 15.464,1123 1.333,1124 4.432,1125 27.828,1126 2.994,1127 17.267,1128 22.487,1129 10.638,1130 35.353,1131 16.63,1132 1,1133 2.965,1134 29.762,1135 2.294,1136 18.477,1137 24.075,1139 37.864,1140 17.788,1141 2659,1142 5010,1143 13.641,1144 20.21,1145 33.272,1146 36.307,1147 35.107,1148 31.896,1149 31.845,1150 45.888,1151 4.069,1152 99.306,1153 30.816,1154 5.373,1155 6.091,1156 6.829,1157 5.408,1158 5.413,1159 7.965,1160 4.069,1161 20.462,1162 5.253,1163 9.912,1164 1.584,1165 1.729,1166 1.672,1167 1.519,1168 1.516,1169 2.185,1170 0.194,1171 4.729,1172 1.467,1173 4.218,1174 4.253,1175 4.204,1176 4.093,1177 7.452,1178 4.116,1179 3.767,1180 3.791,1181 3.716,1182 3.703,1183 6.82,1184 3.702,1185 3.335,1186 3.363,1187 3.301,1188 3.162,1189 6.469,1190 3.19,1191 3.27,1192 3.329,1193 3.189,1194 3.085,1195 5.043,1196 3.104,1197 3.039,1198 3.114,1199 2.876,1200 2.8,1201 4.437,1202 2.806,1203 2.945,1204 2.997,1205 2.86,1206 2.776,1207 4.106,1208 2.779,1209 2.748,1210 2.779,1211 2.615,1212 2.447,1213 3.808,1214 2.488,1215 2.428,1216 2.485,1217 2.322,1218 2.238,1219 3.412,1220 2.263,1221 0.232,1222 0.195,1223 0.34,1224 0.208,1225 0.163,1226 4.873,1227 0.236,1228 4.091,1229 0.097,1230 7.149,1231 0.593,1232 4.364,1233 0.155,1234 3.413,1235 4.965,1236 2.035,1237 12.462,1238 3.253,1239 1.985,1240 1.961,1241 2.046,1242 2.115,1243 1.212,1244 2.091,1245 1.863,1246 1.838,1247 1.948,1248 1.957,1249 1.051,1250 1.957,1251 1.254,1252 1.22,1253 1.508,1254 1.486,1255 0.58,1256 1.494,1257 1.206,1258 1.148,1259 1.329,1260 1.439,1261 0.265,1262 1.406,1263 0.97,1264 0.908,1265 1.159,1266 1.245,1267 0.201,1268 1.217,1269 0.934,1270 0.879,1271 1.117,1272 1.134,1273 0.127,1274 1.124,1275 0.714,1276 0.657,1277 0.907,1278 0.959,1280 0.961,1281 0.429,1282 0.399,1283 0.676,1284 0.839,1286 0.8,1287 3.761,1289 5.118,1290 2.398,1291 6.706,1292 4.844,1293 8.402,1294 7.081,1295 10.154,1297 1.626,1302 10.22,1312 9.252,1313 2.048,1314 20.074,1315 46.019,1316 110.241,1317 119.851,1318 127.851,1319 129.851,1320 129.851,1321 34.44,1322 6.833,1323 78.39,1324 78.39,1325 17,1326 12.619,1327 4.17,1328 3.524,1329 27.42,1330 46,1331 40,1332 0.327,1333 124.912,1334 207.8,1335 296.545,1336 6699,1338 13.569,1339 0.714,1340 0.531,1341 13.569,1342 10.084,1343 9.185,1344 0.437,1345 0.27,1346 5.591,1347 8.853,1348 5.441,1349 4.514,1350 9.185,1351 5.667,1352 8.048,1353 0.26,1354 0.136,1355 8.048,1356 4.226,1357 7.657,1358 0.163,1359 0.069,1360 7.657,1361 3.246,1362 6.99,1363 0.104,1364 0.034,1365 6.99,1366 2.274,1367 5.275,1368 0.061,1369 0.017,1370 5.275,1371 1.463,1372 0.469,1373 57.657,1374 0.271,1375 18.018,1376 1.048,1377 104,1378 340.821,1379 113.537,1380 334.56,1381 454.82,1382 310,1383 130,1384 335.208,1385 140.676,1386 341.714,1387 505.45,1388 321,1389 5.3}
{0 CHEMBL1989957,1 1.406,2 9.1,3 2.915,4 8.495,5 82.287,6 7.343,7 0.773,8 3.676,9 3.791,10 3.234,11 3.284,12 4.798,13 3.251,14 4.149,15 4.303,16 3.529,17 3.653,18 5.217,19 3.591,20 4.394,21 4.608,22 3.552,23 3.761,24 5.386,25 3.665,26 4.349,27 4.574,28 3.397,29 3.673,30 5.293,31 3.556,32 4.281,33 4.519,34 3.317,35 3.577,36 5.248,37 3.457,38 4.165,39 4.392,40 3.185,41 3.465,42 5.11,43 3.342,44 4.071,45 4.306,46 3.048,47 3.318,48 5.023,49 3.191,50 3.938,51 4.191,52 2.824,53 3.086,54 4.899,55 2.959,56 0.04,57 0.488,58 7.251,59 3.233,60 8.048,61 4.198,62 0.112,63 0.785,64 12.446,65 5.27,66 15.186,67 6.971,68 0.186,69 0.972,70 17.347,71 6.887,72 24.569,73 9.531,74 0.114,75 0.926,76 16.634,77 6.677,78 20.165,79 9.304,80 0.156,81 0.854,82 15.881,83 6.288,84 23.762,85 8.865,86 0.087,87 0.742,88 13.976,89 5.784,90 16.546,91 7.964,92 0.078,93 0.672,94 12.885,95 5.205,96 16.168,97 7.203,98 0.099,99 0.597,100 11.651,101 4.206,102 17.043,103 5.879,104 5,105 29,106 0.254,107 0.564,108 0.712,109 0.846,110 0.873,111 0.873,112 3.058,113 0.909,114 -4.58,115 -4.5,116 -4.24,119 47.2,125 2,142 9,143 4,145 1,147 1,172 14,175 2,178 1,180 1,183 18,188 2,192 1,193 1,196 16,200 2,205 2,208 12,213 1,216 1,218 3,221 10,225 1,230 3,233 6,238 2,243 4,246 2,250 2,255 4,264 1,269 3,276 484,277 14.008,278 14.008,279 14.008,280 14.008,281 14.008,282 12.08,283 7.215,284 8.676,285 14.175,286 10.874,287 10.874,288 10.874,289 10.874,290 10.874,291 8.012,292 11.409,293 4.121,294 11.153,295 3.764,296 2.049,297 1.223,298 0.486,299 0.333,300 0.333,301 3.746,304 1,305 1,306 1,307 390,308 2.345,312 153.96,316 80.765,319 1.42,320 10.868,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 42,332 182,333 4.473,334 3.031,335 6.303,336 4.013,337 3.019,338 4.396,339 0.4,340 9.637,341 3.003,342 4.095,343 2.737,344 6.011,345 3.693,346 2.705,347 3.695,349 8.632,350 2.676,351 3.633,352 2.413,353 5.256,354 3.225,355 2.277,356 3.049,358 6.667,359 2.153,360 3.289,361 1.827,362 4.533,363 2.809,364 1.813,365 2.657,367 4.681,368 1.807,369 3.064,370 1.74,371 4.339,372 2.564,373 1.578,374 2.338,376 4.178,377 1.554,378 2.665,379 1.568,380 3.519,381 2.349,382 1.417,383 1.741,385 2.752,386 1.314,387 2.5,388 1.177,389 3.453,390 2.159,391 1.163,392 1.5,394 2.611,395 1.157,396 2.481,397 1,398 3.264,399 2,400 1,401 1.479,403 2.136,404 1,405 2.204,406 0.878,407 3.247,408 1.705,409 0.744,410 1.074,412 1.744,413 0.712,414 1.435,415 0.641,416 2.627,417 1.186,418 0.289,419 0.319,421 0.489,422 0.257,423 1.085,424 -0.228,425 2.551,426 0.646,427 -0.332,428 -0.448,430 -0.755,431 -0.322,432 0.918,433 -0.38,434 2.263,435 0.499,436 -0.452,437 -0.595,439 -1.116,440 -0.431,441 0.656,442 -0.807,443 2.122,444 0.176,445 -0.817,446 -1.173,448 -1.939,449 -0.809,450 0.5,451 -0.864,452 1.803,454 -1,455 -1.236,457 -2.152,458 -0.955,459 0.417,460 -1,461 1.555,462 -0.036,463 -1,464 -1.5,466 -2.347,467 -1,468 9.633,469 0.482,470 0.307,471 0.015,472 28.75,473 1.438,474 16.5,475 0.825,476 12.25,477 0.613,478 11.742,479 0.587,480 20.367,481 0.566,482 18.243,483 0.912,484 5.858,485 0.293,486 4.006,487 0.2,488 0.035,490 0.26,496 0.992,497 1.056,498 0.83,499 0.898,500 0.999,501 0.855,502 0.99,503 0.994,504 0.992,505 0.964,506 0.961,507 0.976,508 0.822,509 0.92,510 0.954,511 0.891,512 0.778,513 0.926,514 0.794,515 1.064,516 1.042,517 1.05,518 0.733,519 1.063,520 0.633,521 0.928,522 0.944,523 0.961,524 0.578,525 0.975,526 0.819,527 1.052,528 0.998,529 1.087,530 0.851,531 1.068,532 0.862,533 1.153,534 0.997,535 1.134,536 0.873,537 1.093,538 1.197,539 1.146,540 1.089,541 1.087,542 1.079,543 1.072,544 3,545 0.021,546 1.778,547 0.688,548 0.818,549 0.507,550 0.304,551 0.186,552 0.086,553 0.041,554 3870,555 9824,556 2.138,557 44.4,559 13,561 1,562 2,567 1.617,568 2.069,569 3.194,570 0.262,572 1,574 1,577 50.63,578 1.406,579 3.121,580 3.947,581 4.684,582 4.837,583 4.837,584 2.709,585 3.784,586 4.288,587 3.275,588 622.161,589 7.325,590 6313.91,591 1,592 1,593 1,594 1,595 186.117,596 1.076,597 4.283,598 0.136,599 0.004,600 0.061,601 0.024,602 0.034,603 0.023,604 0.016,605 0.012,606 0.007,607 0.005,608 0.323,609 0.67,610 1,611 1.08,612 88.671,613 -0.099,614 0.014,615 0.02,616 0.072,617 -0.149,618 0.059,619 -0.074,620 0.063,621 -0.106,622 -0.004,623 -0.124,624 -0.053,625 0.018,626 0.091,627 -0.012,628 0.076,629 -0.02,630 0.036,631 -0.072,632 -0.069,633 -0.102,634 -0.082,635 -0.084,636 -0.092,637 0.111,638 0.057,639 0.015,640 0.012,641 0.105,642 0.007,643 -0.015,644 -0.107,645 -0.045,646 -0.098,647 -0.016,648 -0.078,649 0.014,650 -0.213,651 -0.026,652 -0.152,653 0.03,654 -0.105,655 -0.07,656 -0.161,657 -0.076,658 -0.143,659 -0.02,660 -0.113,661 1.399,662 2.843,663 0.8,664 15.64,665 0.992,666 1.114,667 3.349,668 11.217,669 0.689,670 3.135,671 3.401,672 3.664,673 3.912,674 4.19,675 4.22,676 4.357,677 4.454,678 4.533,679 4.419,680 5.244,681 0.651,682 264.35,683 3.135,684 4.635,685 5.468,686 6.323,687 7.179,688 8.044,689 8.909,690 9.78,691 10.65,692 11.524,693 5.6,698 1,703 1,708 2,709 10,710 1,714 3,716 17,728 1,735 36,737 17,738 2,739 22,741 38,742 17,743 15,744 4,745 8,748 3,749 4,754 1,762 15,763 2,779 1,780 1,783 16,784 3,785 2,786 3,792 2,797 0.667,798 1,799 1,809 1,816 3,820 1,841 1,843 2,851 20,857 1,858 2,860 1,874 2.8,875 1,881 9.667,882 6.233,883 4.556,884 2.085,886 3.33,887 1.493,888 0.986,889 3.727,890 10.092,891 3.45,892 4.06,893 4.696,894 5.324,895 5.974,896 6.291,897 6.776,898 7.225,899 7.658,900 7.804,901 1,902 29,903 7.342,905 3.037,906 7.642,907 14.195,909 11.491,911 2.142,912 42.833,913 0.001,916 164.795,917 110.284,918 34.796,920 42.683,923 110.284,924 207.479,925 34.796,927 2.106,928 127.97,929 46.567,930 20.564,931 2.328,932 153.024,934 164.795,935 145.081,936 42.683,939 164.795,941 42.683,943 11.153,944 99.131,945 34.796,947 164.795,948 77.48,949 110.284,952 164.795,953 15.951,954 94.334,955 18.011,956 59.469,957 164.795,958 77.48,959 110.284,961 0.558,962 0.322,963 0.178,964 0.106,965 14,966 5,967 0.105,968 4,969 1,970 1.125,971 3.344,972 147.515,973 0.125,974 16,975 82.439,981 12.795,982 5.826,983 2.874,984 2.251,985 77.48,986 20.533,987 4.325,991 3.185,993 60.694,994 352.559,995 30.5,1007 35.716,1008 40.112,1009 0.272,1010 0.604,1011 0.763,1012 0.906,1013 0.936,1014 0.936,1015 4.627,1016 1,1017 5.407,1018 2.611,1019 4.078,1020 4.745,1021 0.278,1022 6.163,1023 4.037,1024 5.818,1025 0.744,1026 6.921,1027 2.136,1028 3.434,1029 4.407,1031 6.934,1032 3.397,1033 7.107,1034 0.289,1035 8.538,1036 1.744,1037 5.602,1038 6.993,1039 0.05,1040 10.034,1041 5.537,1042 8.437,1043 -0.332,1044 10.218,1045 0.489,1046 5.832,1047 7.539,1049 11.658,1050 5.776,1051 9.802,1052 -0.452,1053 11.939,1054 -0.755,1055 7.408,1056 9.535,1057 0.008,1058 14.227,1059 7.331,1060 11.193,1061 -0.817,1062 13.688,1063 -1.116,1064 8.069,1065 10.524,1067 16.197,1068 8.001,1069 12.602,1070 -1,1071 15.456,1072 -1.939,1073 9.374,1074 12.245,1075 0.001,1076 18.571,1077 9.293,1078 3.019,1079 -1,1080 17.237,1081 -2.152,1082 10.252,1083 13.468,1085 20.692,1086 10.176,1087 2.705,1088 9.637,1089 19.028,1090 -2.347,1091 11.434,1092 15.056,1094 22.989,1095 11.349,1096 2.277,1097 8.632,1098 20.826,1099 4.396,1100 12.42,1101 16.403,1103 25.178,1104 12.336,1105 1.813,1106 6.667,1107 22.63,1108 3.695,1109 13.546,1110 17.927,1112 27.445,1113 13.457,1114 1.578,1115 4.681,1116 24.438,1117 3.049,1118 14.585,1119 19.338,1121 29.666,1122 14.495,1123 1.417,1124 4.178,1125 26.25,1126 2.657,1127 15.69,1128 20.834,1130 31.922,1131 15.595,1132 1.163,1133 2.752,1134 28.065,1135 2.338,1136 16.756,1137 22.276,1139 34.159,1140 16.658,1141 3780,1142 6084,1143 15.197,1144 24.796,1145 31.95,1146 32.514,1147 32.393,1148 31.955,1149 32.009,1150 44.495,1151 0.8,1152 87.053,1153 31.267,1154 5.256,1155 5.031,1156 6.166,1157 5.053,1158 5.019,1159 7.396,1160 0.8,1161 16.092,1162 5.003,1163 5.858,1164 1.452,1165 1.478,1166 1.472,1167 1.453,1168 1.455,1169 2.022,1170 0.036,1171 3.957,1172 1.421,1173 4.101,1174 4.125,1175 4.06,1176 4.05,1177 6.456,1178 4.049,1179 3.851,1180 3.884,1181 3.786,1182 3.788,1183 4.99,1184 3.783,1185 3.588,1186 3.653,1187 3.466,1188 3.393,1189 4.749,1190 3.402,1191 3.336,1192 3.386,1193 3.224,1194 3.186,1195 4.41,1196 3.186,1197 3.047,1198 3.098,1199 2.939,1200 2.954,1201 4.008,1202 2.944,1203 2.854,1204 2.925,1205 2.711,1206 2.735,1207 3.798,1208 2.715,1209 2.831,1210 2.902,1211 2.687,1212 2.65,1213 3.674,1214 2.655,1215 2.715,1216 2.791,1217 2.547,1218 2.5,1219 3.614,1220 2.498,1221 0.203,1222 0.138,1223 0.287,1224 0.182,1225 0.137,1226 4.473,1227 0.2,1228 3.031,1229 0.018,1230 6.303,1231 0.438,1232 4.013,1233 0.137,1234 3.019,1235 4.396,1236 0.4,1237 9.637,1238 3.003,1239 2.074,1240 2.054,1241 2.148,1242 2.142,1243 1.284,1244 2.145,1245 1.853,1246 1.824,1247 1.972,1248 1.944,1249 1.051,1250 1.955,1251 1.538,1252 1.473,1253 1.78,1254 1.777,1255 0.988,1256 1.782,1257 1.311,1258 1.263,1259 1.488,1260 1.489,1261 0.558,1262 1.491,1263 1.057,1264 1.012,1265 1.264,1266 1.203,1267 0.35,1268 1.224,1269 0.886,1270 0.821,1271 1.181,1272 1.08,1273 0.218,1274 1.107,1275 0.785,1276 0.724,1277 1.075,1278 1.062,1279 0.143,1280 1.083,1281 0.69,1282 0.61,1283 1.013,1284 0.927,1285 0.07,1286 0.959,1287 3.807,1289 5.081,1291 6.575,1293 8.169,1295 9.814,1302 8.843,1303 0.612,1305 3.085,1314 23.445,1315 50.63,1316 112.369,1317 142.078,1318 168.608,1319 174.117,1320 174.117,1321 22.333,1322 6.762,1323 45.15,1324 45.15,1325 18,1326 12.066,1327 4.17,1328 3.248,1329 29.989,1330 62,1331 72,1332 0.242,1333 145.826,1334 242.55,1335 347.575,1336 6932,1338 13.786,1339 0.689,1340 0.554,1341 13.786,1342 11.082,1343 9.865,1344 0.448,1345 0.303,1346 6.608,1347 9.639,1348 6.469,1349 5.377,1350 9.865,1351 6.666,1352 8.313,1353 0.287,1354 0.16,1355 8.313,1356 4.648,1357 7.045,1358 0.185,1359 0.085,1360 7.045,1361 3.247,1362 5.816,1363 0.119,1364 0.046,1365 5.816,1366 2.232,1367 5.014,1368 0.077,1369 0.024,1370 5.014,1371 1.577,1372 0.374,1373 60.802,1374 0.257,1375 19.969,1376 0.676,1377 102,1378 258.128,1379 106.936,1380 258.071,1381 359.51,1382 244,1383 118,1384 263.67,1385 122.549,1386 272.577,1387 395.32,1388 258,1389 5.1}
{0 CHEMBL1990162,1 1.55,2 14.219,3 4.112,4 16.908,5 121.894,6 8.561,7 0.75,8 4.025,9 4.139,10 3.719,11 3.633,12 5.279,13 3.634,14 4.483,15 4.619,16 4.061,17 4.015,18 5.675,19 3.999,20 4.708,21 4.888,22 4.063,23 4.088,24 5.882,25 4.044,26 4.764,27 4.982,28 3.995,29 3.99,30 5.955,31 3.95,32 4.642,33 4.859,34 3.946,35 3.878,36 5.85,37 3.862,38 4.524,39 4.717,40 3.934,41 3.856,42 5.743,43 3.843,44 4.534,45 4.738,46 3.877,47 3.851,48 5.814,49 3.815,50 4.436,51 4.634,52 3.712,53 3.819,54 5.572,55 3.753,56 0.114,57 0.786,58 7.096,59 3.68,60 10.804,61 4.245,62 0.184,63 1.21,64 12.335,65 6.035,66 15.395,67 7.166,68 0.214,69 1.446,70 18.555,71 8.092,72 30.826,73 9.904,74 0.383,75 1.512,76 22.821,77 8.089,78 52.486,79 9.914,80 0.391,81 1.335,82 20.829,83 6.977,84 55.703,85 8.383,86 0.282,87 1.237,88 16.379,89 6.163,90 33.348,91 7.406,92 0.424,93 1.245,94 17.134,95 6.425,96 56.111,97 7.898,98 0.229,99 1.062,100 15.355,101 6.47,102 34.164,103 8.147,104 6,105 50,106 0.253,107 0.594,108 0.722,109 0.839,110 0.858,111 0.858,112 3.502,113 0.828,114 -4.69,115 -4.6,116 -4.33,119 49,125 1,142 12,143 5,146 2,151 1,153 1,158 2,166 2,168 1,172 16,174 1,175 6,178 1,179 1,180 3,183 16,188 13,191 1,193 5,196 8,200 17,203 1,205 7,208 1,212 1,213 13,218 4,221 4,224 1,225 7,228 2,230 2,233 10,237 3,238 4,241 5,243 1,246 16,249 1,250 2,258 16,263 2,264 6,267 1,269 2,272 10,276 1912,277 22.195,278 22.195,279 22.195,280 22.195,281 22.195,282 18.877,283 19.226,284 13.098,285 22.401,286 17.741,287 17.741,288 17.741,289 17.741,290 17.741,291 12.655,292 26.594,293 6.198,294 18.067,295 4.065,296 1.982,297 1.194,298 0.48,299 0.367,300 0.367,301 4.213,305 1,306 1,307 1006,308 3.24,311 163.817,312 306.667,315 137.008,319 2.309,320 26.288,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 68.5,332 455,333 4.578,334 4.057,335 6.577,336 4.114,337 3.136,338 4.522,339 2.035,340 10.481,341 3.065,342 4.247,343 3.579,344 6.152,345 3.859,346 2.88,347 3.88,348 1.058,349 9.128,350 2.837,351 4.192,352 3.125,353 6.025,354 3.775,355 2.782,356 3.794,357 0.522,358 8.589,359 2.736,360 3.918,361 2.959,362 5.547,363 3.541,364 2.553,365 3.451,367 7.555,368 2.523,369 3.868,370 2.693,371 5.295,372 3.373,373 2.376,374 3.188,376 6.749,377 2.366,378 3.581,379 2.493,380 5.121,381 3.132,382 2.157,383 3.005,385 6.146,386 2.097,387 3.352,388 2.222,389 5.042,390 2.881,391 1.923,392 2.669,394 5.904,395 1.838,396 3.109,397 2.001,398 4.333,399 2.483,400 1.496,401 2.124,403 4.014,404 1.476,405 2.939,406 1.861,407 4.167,408 2.376,409 1.375,410 1.982,412 3.592,413 1.37,414 2.79,415 1.563,416 3.936,417 2.272,418 1.29,419 1.869,421 3.051,422 1.261,423 2.698,424 1.355,425 3.576,426 2.088,427 1.109,428 1.629,430 2.902,431 1.081,432 2.58,433 1.2,434 3.414,435 2,436 1,437 1.5,439 2.275,440 1,441 2.5,442 1,443 3.281,444 2,445 1,446 1.5,448 2.136,449 1,450 2.5,451 1,452 3.247,453 1.713,454 0.733,455 1.077,457 1.745,458 0.716,459 2.207,460 0.821,461 3.24,462 1.604,463 0.619,464 0.968,466 1.518,467 0.608,468 15.133,469 0.473,470 0.653,471 0.02,472 49.25,473 1.539,474 29,475 0.906,476 20.25,477 0.633,478 20.576,479 0.643,480 31.067,481 0.634,482 37.283,483 1.165,484 9.933,485 0.31,486 5.758,487 0.18,488 0.048,490 0.324,496 0.611,497 0.909,498 0.657,499 0.832,500 0.495,501 0.766,502 0.674,503 1.083,504 0.816,505 1.008,506 0.524,507 0.948,508 0.944,509 1.204,510 1.021,511 1.189,512 0.787,513 1.135,514 1.313,515 1.157,516 1.104,517 1.046,518 1.177,519 1.037,520 1.498,521 1.03,522 0.978,523 0.822,524 1.343,525 0.813,526 1.159,527 1.06,528 0.929,529 0.942,530 0.824,531 0.902,532 0.941,533 0.708,534 1.012,535 0.868,536 0.756,537 0.934,538 0.851,539 0.926,540 1.026,541 1.017,542 0.825,543 1.045,544 6,545 0.154,546 3.333,547 1.639,548 1.392,549 1.066,550 0.581,551 0.409,552 0.25,553 0.26,554 16228,555 46553,556 2.174,557 34.7,559 14,560 1,562 2,567 1.742,568 2.087,569 3.774,570 0.208,572 1,577 75.943,578 1.55,579 3.633,580 4.42,581 5.135,582 5.247,583 5.247,584 3.269,585 4.625,586 4.966,587 3.929,588 1948.55,589 8.675,590 29252.1,592 1,595 275.121,596 1.198,597 4.954,598 0.167,599 0.005,600 0.067,601 0.034,602 0.032,603 0.025,604 0.014,605 0.01,606 0.007,607 0.008,608 0.37,609 0.17,610 0.88,611 0.563,612 170.479,613 0.123,614 0.163,615 0.047,616 0.059,617 0.014,618 0.041,619 0.093,620 -0.048,621 -0.043,622 -0.089,623 0.008,624 -0.09,625 -0.058,626 -0.228,627 -0.106,628 -0.219,629 -0.014,630 -0.182,631 -0.138,632 -0.16,633 -0.065,634 -0.082,635 -0.084,636 -0.062,637 -0.171,638 -0.022,639 0.077,640 0.136,641 -0.1,642 0.15,643 -0.045,644 -0.024,645 0.027,646 -0.011,647 0.027,648 0.014,649 0.18,650 0.325,651 -0.031,652 0.075,653 0.175,654 0.002,655 -0.014,656 0.015,657 -0.066,658 -0.007,659 -0.013,660 -0.036,661 1.959,662 5.62,663 0.813,664 39.391,665 1.009,666 1.118,667 3.455,668 11.939,669 0.72,670 3.611,671 3.932,672 4.22,673 4.477,674 4.682,675 4.796,676 4.956,677 5.094,678 5.22,679 5.352,680 7.98,681 0.704,682 419.48,683 3.611,684 5.153,685 6.009,686 6.882,687 7.752,688 8.632,689 9.508,690 10.392,691 11.273,692 12.159,693 14.3,700 1,701 2,702 1,703 3,708 2,709 13,710 3,711 1,714 6,715 1,716 27,718 1,723 1,735 49,737 29,738 3,739 36,741 53,742 24,743 21,744 6,745 12,746 1,748 5,749 6,761 1,762 22,763 1,767 1,772 1,776 1,780 1,783 17,784 6,785 2,786 8,792 7,797 0.8,798 1,807 1,815 2,816 3,819 1,843 4,851 32,858 1,860 1,866 1,870 1,871 1,872 1,874 2,877 1,881 15.333,882 9,883 7.028,884 2.808,886 5.118,887 1.613,888 1.042,889 5.21,890 13.471,891 3.98,892 4.6,893 5.239,894 5.84,895 6.34,896 6.703,897 7.188,898 7.59,899 7.966,900 8.387,901 0.9,902 48,903 11.733,905 5.052,906 7.813,907 22.103,909 18.146,911 2.313,912 74,915 1,916 176.567,917 168.719,918 117.376,920 25.145,923 168.719,924 201.711,925 117.376,927 20.116,928 122.762,929 96.318,930 72.043,931 11.771,932 164.795,934 176.567,935 286.095,936 25.145,939 176.567,940 25.145,943 76.844,944 159.384,945 49.867,947 176.567,948 142.521,949 168.719,952 176.567,953 29.354,954 124.539,955 51.276,956 106.071,957 176.567,958 142.521,959 168.719,961 0.579,962 0.341,963 0.181,964 0.095,965 25,966 10,967 0.094,968 5,969 1,970 1.077,971 4.496,972 293.282,973 0.077,974 26,975 152,981 19.689,982 8.468,983 4.164,984 1.489,985 124.082,986 24.104,987 12.792,988 2.878,991 4.181,992 1.79,993 34.674,994 487.806,995 52.5,1000 12.62,1004 -0.292,1007 49.458,1008 54.774,1009 0.276,1010 0.647,1011 0.787,1012 0.915,1013 0.935,1014 0.935,1015 5.203,1016 1.496,1017 5.979,1018 5.904,1019 4.615,1020 5.288,1021 2.49,1022 6.77,1023 4.579,1024 6.425,1025 1.375,1026 7.521,1027 4.014,1028 4.111,1029 4.997,1031 7.6,1032 4.06,1033 7.731,1034 1.29,1035 9.16,1036 3.592,1037 6.192,1038 7.528,1039 3.636,1040 10.685,1041 6.12,1042 9.073,1043 1.109,1044 10.856,1045 3.051,1046 6.538,1047 8.123,1049 12.355,1050 6.448,1051 10.445,1052 1,1053 12.588,1054 2.902,1055 8.041,1056 10.051,1057 4.982,1058 14.931,1059 7.932,1060 11.84,1061 1,1062 14.347,1063 2.275,1064 8.777,1065 11.073,1067 16.955,1068 8.647,1069 13.252,1070 0.733,1071 16.124,1072 2.136,1073 10.044,1074 12.745,1075 6.383,1076 19.358,1077 9.896,1078 3.136,1079 0.619,1080 17.915,1081 1.745,1082 10.969,1083 13.99,1085 21.542,1086 10.798,1087 2.88,1088 10.481,1089 19.718,1090 1.518,1091 12.136,1092 15.549,1093 7.798,1094 23.887,1095 11.946,1096 2.782,1097 9.128,1098 21.529,1099 4.522,1100 13.154,1101 16.913,1103 26.146,1104 12.94,1105 2.553,1106 8.589,1107 23.348,1108 3.88,1109 14.283,1110 18.425,1111 9.218,1112 28.473,1113 14.048,1114 2.376,1115 7.555,1116 25.174,1117 3.794,1118 15.348,1119 19.851,1121 30.769,1122 15.089,1123 2.157,1124 6.749,1125 27.004,1126 3.451,1127 16.464,1128 21.348,1129 10.638,1130 33.096,1131 16.182,1132 1.923,1133 6.146,1134 28.84,1135 3.188,1136 17.554,1137 22.807,1139 35.411,1140 17.248,1141 15012,1142 25604,1143 24.849,1144 35.301,1145 55.628,1146 57.354,1147 54.668,1148 53.793,1149 53.792,1150 76.011,1151 7.229,1152 153.008,1153 52.832,1154 5.414,1155 6.057,1156 6.379,1157 5.154,1158 5.136,1159 7.522,1160 4.069,1161 17.286,1162 5.065,1163 10.966,1164 1.545,1165 1.593,1166 1.519,1167 1.494,1168 1.494,1169 2.111,1170 0.201,1171 4.25,1172 1.468,1173 4.132,1174 4.174,1175 4.102,1176 4.022,1177 7.429,1178 4.035,1179 3.95,1180 4.002,1181 3.898,1182 3.868,1183 6.82,1184 3.868,1185 3.927,1186 3.95,1187 3.878,1188 3.856,1189 5.139,1190 3.853,1191 3.773,1192 3.83,1193 3.726,1194 3.567,1195 5.027,1196 3.606,1197 3.443,1198 3.492,1199 3.4,1200 3.244,1201 4.737,1202 3.277,1203 3.279,1204 3.329,1205 3.229,1206 3.101,1207 4.658,1208 3.124,1209 3.061,1210 3.127,1211 2.97,1212 2.927,1213 4.325,1214 2.922,1215 2.966,1216 3.033,1217 2.883,1218 2.735,1219 3.917,1220 2.752,1221 0.127,1222 0.113,1223 0.183,1224 0.114,1225 0.087,1226 4.578,1227 0.126,1228 4.057,1229 0.057,1230 6.577,1231 0.291,1232 4.114,1233 0.085,1234 3.136,1235 4.522,1236 2.035,1237 10.481,1238 3.065,1239 1.953,1240 1.933,1241 2.046,1242 2.032,1243 1.185,1244 2.035,1245 1.916,1246 1.892,1247 2.022,1248 2.011,1249 1.151,1250 2.017,1251 1.906,1252 1.879,1253 1.996,1254 1.979,1255 1.081,1256 1.985,1257 1.467,1258 1.413,1259 1.618,1260 1.75,1261 0.76,1262 1.698,1263 1.427,1264 1.36,1265 1.543,1266 1.695,1267 0.55,1268 1.67,1269 1.218,1270 1.158,1271 1.338,1272 1.467,1273 0.431,1274 1.418,1275 1.171,1276 1.135,1277 1.245,1278 1.369,1279 0.22,1280 1.328,1281 0.886,1282 0.821,1283 1.181,1284 1.125,1285 0.218,1286 1.107,1287 4.29,1289 5.609,1290 3.045,1291 7.116,1292 5.352,1293 8.701,1294 7.402,1295 10.329,1303 0.633,1305 2.854,1312 8.913,1313 2.039,1314 34.499,1315 75.943,1316 177.996,1317 216.591,1318 251.611,1319 257.121,1320 257.121,1321 48.226,1322 8.353,1323 112.28,1324 112.28,1325 28,1326 12.692,1327 4.907,1328 4.129,1329 45.885,1330 151,1331 167,1332 0.145,1333 211.665,1334 353.65,1335 508.223,1336 58044,1338 21.916,1339 0.685,1340 0.527,1341 21.916,1342 16.857,1343 15.691,1344 0.436,1345 0.276,1346 9.814,1347 15.165,1348 9.63,1349 7.996,1350 15.691,1351 9.935,1352 13.915,1353 0.278,1354 0.145,1355 13.915,1356 7.261,1357 12.19,1358 0.182,1359 0.076,1360 12.19,1361 5.091,1362 10.087,1363 0.116,1364 0.039,1365 10.087,1366 3.425,1367 7.901,1368 0.074,1369 0.021,1370 7.901,1371 2.251,1372 0.233,1373 97.914,1374 0.201,1375 30.391,1376 0.383,1377 172,1378 508.627,1379 186.037,1380 508.479,1381 702.42,1382 474,1383 203,1384 533.209,1385 218.815,1386 542.926,1387 782.85,1388 510,1389 5.5}
{0 CHEMBL1990212,1 1.744,2 10.778,3 4.605,4 21.209,5 104.815,6 8.88,7 0.733,8 3.904,9 4.008,10 3.625,11 3.439,12 5.112,13 3.452,14 4.377,15 4.517,16 3.987,17 3.787,18 5.537,19 3.794,20 4.516,21 4.67,22 4.103,23 3.878,24 5.713,25 3.872,26 4.567,27 4.743,28 4.03,29 3.863,30 5.707,31 3.838,32 4.591,33 4.792,34 3.956,35 3.842,36 5.72,37 3.795,38 4.525,39 4.719,40 3.88,41 3.785,42 5.617,43 3.74,44 4.423,45 4.609,46 3.738,47 3.722,48 5.514,49 3.648,50 4.408,51 4.65,52 3.645,53 3.607,54 5.409,55 3.526,56 0.123,57 0.662,58 6.266,59 3.475,60 7.499,61 3.92,62 0.338,63 1.001,64 13.446,65 5.705,66 19.711,67 6.358,68 0.453,69 1.146,70 17.395,71 6.365,72 28.017,73 7.349,74 0.493,75 1.172,76 19.158,77 6.484,78 29.37,79 7.645,80 0.58,81 1.167,82 24.544,83 7.176,84 39.795,85 8.855,86 0.525,87 1.06,88 19.509,89 6.624,90 34.522,91 7.722,92 0.41,93 0.958,94 20.254,95 6.286,96 28.898,97 7.56,98 0.45,99 0.898,100 20.842,101 6.748,102 29.926,103 9.039,104 14,105 42,106 0.299,107 0.609,108 0.712,109 0.818,110 0.837,111 0.86,112 3.34,113 0.854,114 -5.66,115 -5.53,116 -5.16,119 44.2,124 2,142 9,143 1,144 4,147 1,161 2,166 2,172 7,174 2,175 7,178 1,180 2,183 7,187 2,188 13,191 2,193 2,196 5,199 1,200 10,205 1,208 2,212 1,213 10,216 3,218 1,221 5,224 1,225 5,230 2,233 6,237 1,238 4,243 2,246 5,249 3,250 4,255 1,258 4,264 4,272 5,276 1068,277 18.687,278 18.687,279 18.687,280 18.687,281 18.687,282 16.093,283 16.71,284 10.932,285 19.37,286 14.696,287 14.696,288 14.696,289 14.696,290 14.696,291 10.721,292 26.219,293 5.026,294 15.686,295 3.682,296 1.874,297 1.274,298 0.657,299 0.547,300 0.407,301 4.039,302 1,305 1,306 1,307 633,308 2.739,311 60.73,312 235.364,315 106.828,319 1.523,320 21.053,323 0.75,324 1,325 1,326 0.6,328 1,329 1,330 0.76,331 58.833,332 291,333 4.611,334 3.351,335 6.718,336 4.119,337 3.173,338 4.555,339 0.86,340 10.945,341 3.001,342 4.38,343 3.175,344 6.317,345 3.951,346 3.014,347 4.064,348 0.86,349 9.652,350 2.813,351 3.96,352 2.913,353 5.822,354 3.534,355 2.577,356 3.537,357 0.4,358 7.978,359 2.476,360 3.77,361 2.585,362 5.749,363 3.354,364 2.43,365 3.169,367 7.698,368 2.207,369 3.543,370 2.353,371 5.234,372 3.092,373 2.162,374 2.933,376 6.515,377 1.992,378 3.22,379 2.178,380 4.637,381 2.717,382 1.747,383 2.556,385 4.784,386 1.691,387 3.054,388 1.755,389 4.594,390 2.613,391 1.693,392 2.248,394 4.646,395 1.524,396 2.817,397 1.683,398 4.042,399 2.32,400 1.338,401 1.967,403 3.359,404 1.313,405 2.569,406 1.337,407 3.697,408 2.056,409 1.109,410 1.603,412 2.627,413 1.046,414 2.5,415 1.087,416 3.499,417 2,418 1,419 1.5,421 2.313,422 1,423 2.171,424 1.027,425 3.247,426 1.841,427 1,428 1.126,430 2.136,431 0.799,432 2.027,433 1,434 3.214,435 1.536,436 0.582,437 0.834,439 1.426,440 0.551,441 1.592,442 0.632,443 2.842,444 1.32,445 0.466,446 0.513,448 0.674,449 0.395,450 1.241,451 0.53,452 2.791,453 0.917,459 0.962,460 0.175,461 2.5,462 0.578,463 -0.262,464 -0.307,466 -0.529,467 -0.185,468 12.881,469 0.477,470 0.568,471 0.021,472 39.5,473 1.463,474 21.5,475 0.796,476 18,477 0.667,478 18.767,479 0.695,480 27.919,481 0.649,482 28.963,483 1.073,484 8.152,485 0.302,486 5.038,487 0.187,488 0.133,490 0.342,496 0.784,497 1.18,498 0.566,499 0.972,500 0.739,501 0.846,502 1.168,503 1.109,504 0.668,505 0.814,506 0.95,507 0.76,508 0.949,509 1.161,510 0.878,511 1.005,512 0.858,513 0.929,514 1.086,515 1.274,516 0.982,517 1.016,518 1.036,519 1.002,520 0.931,521 0.975,522 1.212,523 1.054,524 1.035,525 1.016,526 1.294,527 0.967,528 0.93,529 0.823,530 1.151,531 0.911,532 1.074,533 1.066,534 1.451,535 1.238,536 1.277,537 1.228,538 0.728,539 0.781,540 0.797,541 0.781,542 0.744,543 0.804,544 5,545 0.131,546 3.111,547 1.819,548 1.614,549 0.816,550 0.49,551 0.382,552 0.273,553 0.222,554 8805,555 27197,556 2.12,557 37.2,559 15,562 1,567 1.702,568 2,569 3.401,570 -0.272,577 75.009,578 1.744,579 3.553,580 4.152,581 4.769,582 4.88,583 5.019,584 2.852,585 4.385,586 4.728,587 3.526,588 1237.6,589 8.213,590 15694.7,592 1,595 233.329,596 1.352,597 4.694,598 0.167,599 0.007,600 0.074,601 0.041,602 0.04,603 0.022,604 0.014,605 0.013,606 0.01,607 0.009,608 0.398,609 0.17,610 0.88,611 0.806,612 133.222,613 0.021,614 -0.049,615 0.037,616 -0.079,617 -0.058,618 -0.023,619 -0.099,620 -0.051,621 0.077,622 0.103,623 -0.065,624 0.107,625 0.061,626 -0.082,627 0.012,628 -0.09,629 0.091,630 -0.058,631 -0.075,632 -0.214,633 -0.07,634 -0.101,635 -0.076,636 -0.109,637 0.048,638 0.051,639 -0.123,640 -0.098,641 0.015,642 -0.068,643 -0.184,644 0.028,645 -0.028,646 0.122,647 -0.127,648 0.03,649 -0.134,650 -0.063,651 -0.316,652 -0.252,653 -0.273,654 -0.271,655 0.168,656 0.133,657 0.21,658 0.229,659 0.205,660 0.264,661 1.198,662 2.13,663 0.778,664 22.914,665 1.018,666 1.124,667 4.43,668 19.629,669 0.706,670 3.434,671 3.761,672 4.078,673 4.357,674 4.595,675 4.673,676 4.779,677 4.934,678 5.011,679 5.142,680 6.266,681 0.687,682 381.85,683 3.434,684 4.977,685 5.844,686 6.73,687 7.614,688 8.507,689 9.397,690 10.292,691 11.185,692 12.081,693 11.6,701 2,703 3,708 1,709 9,710 3,714 7,716 22,728 1,733 2,734 1,735 43,737 22,738 2,739 30,741 46,742 19,743 17,744 5,745 7,748 4,749 5,750 1,762 17,763 2,780 1,783 16,784 6,785 1,786 8,787 1,792 5,797 0.75,798 2,808 1,815 1,816 3,819 1,843 3,847 2,848 1,851 27,860 1,861 2,871 1,873 1,874 4.7,879 2,881 13.5,882 8.526,883 6.056,884 2.317,886 4.161,887 1.54,888 1.004,889 4.943,890 11.859,891 3.738,892 4.398,893 5.054,894 5.688,895 6.26,896 6.589,897 7.03,898 7.515,899 7.853,900 8.3,901 1,902 44,903 9.864,905 4.129,906 7.72,907 18.609,909 14.806,911 2.22,912 59.944,915 1,916 176.567,917 133.353,918 69.164,919 39.149,920 22,923 133.353,924 237.715,925 69.164,926 21.766,928 85.286,929 54.032,930 61.104,931 2.328,932 176.567,933 39.149,934 176.567,935 202.517,936 22,937 39.149,939 176.567,940 22,943 23.218,944 129.31,945 89.138,947 176.567,948 91.164,949 172.502,952 176.567,953 26.301,954 108.216,955 18.011,956 111.137,957 176.567,958 91.164,959 172.502,961 0.576,962 0.354,963 0.198,964 0.108,965 21,966 9,967 0.109,968 5,969 1,970 1.095,971 3.866,972 236.511,973 0.095,974 21,975 124.382,981 17.737,982 7.525,983 3.47,984 0.652,985 90,986 16.878,987 13.024,991 4.45,993 18.011,994 440.232,995 41,1007 43.789,1008 48.346,1009 0.321,1010 0.655,1011 0.765,1012 0.879,1013 0.899,1014 0.925,1015 4.959,1016 1.338,1017 5.826,1018 4.646,1019 4.443,1020 5.085,1021 1.454,1022 6.655,1023 4.318,1024 6.185,1025 1.109,1026 7.394,1027 3.359,1028 4.007,1029 4.913,1031 7.582,1032 3.781,1033 7.505,1034 1,1035 9.063,1036 2.627,1037 6.052,1038 7.37,1039 1.175,1040 10.692,1041 5.817,1042 8.866,1043 1,1044 10.79,1045 2.313,1046 6.463,1047 8.051,1049 12.446,1050 6.118,1051 10.259,1052 0.582,1053 12.554,1054 2.136,1055 7.951,1056 9.952,1057 0.966,1058 15.065,1059 7.599,1060 11.675,1061 0.466,1062 14.344,1063 1.426,1064 8.748,1065 11.041,1067 17.161,1068 8.296,1069 13.109,1071 16.152,1072 0.674,1073 10.016,1074 12.709,1075 0.788,1076 19.614,1077 9.544,1078 3.173,1079 -0.262,1080 17.973,1082 10.994,1083 14.004,1085 21.863,1086 10.435,1087 3.014,1088 10.945,1089 19.805,1090 -0.529,1091 12.174,1092 15.57,1093 0.634,1094 24.259,1095 11.581,1096 2.577,1097 9.652,1098 21.646,1099 4.555,1100 13.236,1101 16.969,1103 26.575,1104 12.567,1105 2.43,1106 7.978,1107 23.493,1108 4.064,1109 14.384,1110 18.493,1111 0.504,1112 28.955,1113 13.671,1114 2.162,1115 7.698,1116 25.347,1117 3.537,1118 15.484,1119 19.943,1121 31.303,1122 14.704,1123 1.747,1124 6.515,1125 27.206,1126 3.169,1127 16.622,1128 21.451,1129 0.395,1130 33.68,1131 15.791,1132 1.693,1133 4.784,1134 29.069,1135 2.933,1136 17.741,1137 22.928,1139 36.045,1140 16.848,1141 8392,1142 14903,1143 20.285,1144 30.364,1145 44.896,1146 45.795,1147 46.43,1148 44.728,1149 44.582,1150 61.21,1151 4.24,1152 129.506,1153 41.615,1154 5.389,1155 5.351,1156 6.52,1157 5.176,1158 5.173,1159 7.555,1160 1.72,1161 18.074,1162 5.001,1163 11.765,1164 1.497,1165 1.526,1166 1.548,1167 1.491,1168 1.486,1169 2.04,1170 0.141,1171 4.317,1172 1.387,1173 4.116,1174 4.174,1175 4.106,1176 3.947,1177 5.221,1178 3.972,1179 3.919,1180 3.933,1181 4.005,1182 3.835,1183 5.013,1184 3.84,1185 3.816,1186 3.851,1187 3.753,1188 3.713,1189 4.722,1190 3.723,1191 3.362,1192 3.418,1193 3.439,1194 3.151,1195 4.644,1196 3.179,1197 3.281,1198 3.338,1199 3.253,1200 3.014,1201 4.53,1202 3.031,1203 3.182,1204 3.255,1205 3.085,1206 2.937,1207 4.481,1208 2.938,1209 2.949,1210 3.021,1211 2.922,1212 2.771,1213 4.038,1214 2.774,1215 2.854,1216 2.925,1217 2.783,1218 2.735,1219 3.921,1220 2.715,1221 0.154,1222 0.112,1223 0.224,1224 0.137,1225 0.106,1226 4.611,1227 0.152,1228 3.351,1229 0.029,1230 6.718,1231 0.365,1232 4.119,1233 0.1,1234 3.173,1235 4.555,1236 0.86,1237 10.945,1238 3.001,1239 1.934,1240 1.902,1241 2.028,1242 2.088,1243 1.111,1244 2.06,1245 1.877,1246 1.86,1247 1.946,1248 1.977,1249 1.067,1250 1.978,1251 1.765,1252 1.727,1253 1.845,1254 1.909,1255 0.915,1256 1.898,1257 1.231,1258 1.171,1259 1.587,1260 1.559,1261 0.584,1262 1.564,1263 1.192,1264 1.134,1265 1.539,1266 1.47,1267 0.561,1268 1.493,1269 1.166,1270 1.088,1271 1.287,1272 1.446,1273 0.372,1274 1.396,1275 0.997,1276 0.924,1277 1.181,1278 1.246,1279 0.218,1280 1.232,1281 0.886,1282 0.821,1283 1.16,1284 1.062,1285 0.207,1286 1.107,1287 4.111,1289 5.434,1290 2.398,1291 6.963,1292 4.727,1293 8.585,1294 6.843,1295 10.253,1297 3.137,1298 6.241,1305 3.224,1306 10.649,1314 29.525,1315 75.009,1316 152.761,1317 178.535,1318 205.065,1319 209.82,1320 215.82,1321 34.465,1322 7.698,1323 73.57,1324 73.57,1325 23,1326 12.606,1327 4.524,1328 3.585,1329 40.176,1330 102,1331 99,1332 0.194,1333 184.474,1334 305.61,1335 441.877,1336 23388,1337 2.3,1338 18.803,1339 0.696,1340 0.572,1341 19.303,1342 15.435,1343 13.19,1344 0.44,1345 0.285,1346 8.024,1347 12.261,1348 7.783,1349 6.494,1350 13.479,1351 8.536,1352 11.523,1353 0.274,1354 0.145,1355 11.894,1356 6.097,1357 10.269,1358 0.177,1359 0.075,1360 10.623,1361 4.327,1362 8.686,1363 0.113,1364 0.038,1365 9.023,1366 2.959,1367 7.055,1368 0.072,1369 0.019,1370 7.286,1371 1.91,1372 0.302,1373 86.81,1374 0.222,1375 25.745,1376 0.538,1377 144,1378 466.588,1379 175.74,1380 477.045,1381 654.7,1382 448,1383 172,1384 477.54,1385 202.883,1386 490.847,1387 717.23,1388 459,1389 5.2}
{0 CHEMBL1990254,1 1.428,2 10.833,3 2.189,4 4.792,5 94.747,6 7.382,7 0.692,8 3.839,9 3.964,10 3.395,11 3.446,12 4.993,13 3.412,14 4.307,15 4.464,16 3.691,17 3.81,18 5.412,19 3.746,20 4.584,21 4.795,22 3.752,23 3.932,24 5.622,25 3.841,26 4.622,27 4.84,28 3.68,29 3.882,30 5.71,31 3.784,32 4.637,33 4.877,34 3.623,35 3.836,36 5.766,37 3.726,38 4.54,39 4.789,40 3.472,41 3.724,42 5.599,43 3.605,44 4.344,45 4.585,46 3.342,47 3.564,48 5.437,49 3.455,50 4.208,51 4.448,52 3.158,53 3.42,54 5.268,55 3.302,56 0.04,57 0.603,58 8.459,59 3.715,60 9.622,61 4.934,62 0.126,63 0.939,64 14.379,65 6.096,66 18.577,67 8.256,68 0.157,69 1.182,70 20.776,71 8.387,72 30.105,73 11.514,74 0.184,75 1.204,76 22.166,77 8.38,78 38.151,79 11.392,80 0.264,81 1.191,82 23.446,83 8.626,84 57.37,85 11.862,86 0.2,87 1.067,88 21.507,89 7.992,90 43.682,91 11.006,92 0.146,93 0.89,94 17.32,95 6.494,96 34.006,97 8.963,98 0.142,99 0.767,100 15.164,101 5.689,102 31.459,103 7.786,104 6,105 34,106 0.247,107 0.527,108 0.678,109 0.799,110 0.826,111 0.826,112 3.228,113 0.905,114 -3.52,115 -3.5,116 -3.34,119 46.5,125 1,127 1,142 11,143 4,145 2,158 1,163 1,164 1,165 1,172 15,175 3,178 1,180 2,183 17,188 3,192 1,193 5,195 1,196 12,198 1,200 4,205 6,208 6,210 2,213 5,215 1,216 1,218 5,221 6,223 3,225 5,230 4,233 8,235 3,238 4,243 4,246 10,248 2,255 1,258 9,260 1,263 1,267 1,269 1,272 8,274 1,276 808,277 16.629,278 16.629,279 16.629,280 16.629,281 16.629,282 14.399,283 8.567,284 10.109,285 16.742,286 12.781,287 12.781,288 12.781,289 12.781,290 12.781,291 9.543,292 11.74,293 4.713,294 12.942,295 3.998,296 2.382,297 1.507,298 0.808,299 0.651,300 0.651,301 3.913,304 1,305 1,306 1,307 556,308 3.162,312 265.175,319 1.778,320 17.53,321 1,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 50.5,332 260,333 4.289,334 3.589,335 6.215,336 3.942,337 2.947,338 3.926,339 1.081,340 9.268,341 2.932,342 4.115,343 3.059,344 6.138,345 3.825,346 2.835,347 3.577,348 0.473,349 9.036,350 2.804,351 3.973,352 2.841,353 5.928,354 3.622,355 2.616,356 3.478,358 8.267,359 2.628,360 3.402,361 2.128,362 4.604,363 2.927,364 1.945,365 2.777,367 4.912,368 1.907,369 3.172,370 1.919,371 4.442,372 2.793,373 1.812,374 2.372,376 4.443,377 1.776,378 2.882,379 1.714,380 3.968,381 2.391,382 1.405,383 1.995,385 3.294,386 1.377,387 2.57,388 1.263,389 3.499,390 2.136,391 1.157,392 1.593,394 2.666,395 1.13,396 2.5,397 1.128,398 3.446,399 2,400 1,401 1.5,403 2.386,404 1,405 2.5,406 1,407 3.414,408 2,409 1,410 1.5,412 2.275,413 1,414 2.5,415 1,416 3.247,417 1.985,418 1,419 1.5,421 2.136,422 0.983,423 2.423,424 1,425 3.247,426 1.984,427 1,428 1.355,430 2.136,431 0.979,432 1.361,433 0.808,434 2.701,435 1.183,436 0.238,437 0.258,439 0.359,440 0.224,441 1.044,442 0.093,443 2.379,444 0.633,445 -0.361,446 -0.466,448 -0.838,449 -0.357,450 0.794,451 -0.293,452 2.276,453 0.42,454 -0.594,455 -0.781,457 -1.368,458 -0.598,459 0.596,460 -0.714,461 2,462 0.11,463 -0.889,464 -1.224,466 -1.963,467 -0.885,468 11.533,469 0.481,470 0.397,471 0.017,472 34,473 1.417,474 19.5,475 0.813,476 14.5,477 0.604,478 15.261,479 0.636,480 24.467,481 0.569,482 24.132,483 1.005,484 7.051,485 0.294,486 4.724,487 0.197,488 0.064,490 0.26,496 0.819,497 1.038,498 0.823,499 0.897,500 0.741,501 0.857,502 0.742,503 1.072,504 0.974,505 1.038,506 0.698,507 1.027,508 0.874,509 1.006,510 0.949,511 1.021,512 0.83,513 0.998,514 1.324,515 1.133,516 1.112,517 1.114,518 1.316,519 1.095,520 1.284,521 0.995,522 1.026,523 0.985,524 1.371,525 0.984,526 1.3,527 0.958,528 1,529 0.953,530 1.416,531 0.952,532 1.207,533 0.993,534 0.992,535 0.988,536 1.271,537 0.972,538 1.334,539 0.984,540 1.067,541 1,542 1.447,543 1.01,544 3.5,545 0.062,546 2.667,547 1.125,548 0.764,549 0.806,550 0.445,551 0.181,552 0.156,553 0.144,554 6792,555 17360,556 2.089,557 44.2,559 14,561 2,562 3,567 1.666,568 2,569 3.414,570 0.915,571 1,572 1,574 1,577 61.425,578 1.428,579 3.044,580 3.919,581 4.618,582 4.775,583 4.775,584 2.872,585 3.835,586 4.556,587 3.562,588 982.977,589 7.845,590 11830.3,592 1,594 1,595 233.329,596 1.189,597 4.536,598 0.135,599 0.004,600 0.078,601 0.032,602 0.025,603 0.028,604 0.018,605 0.008,606 0.009,607 0.01,608 0.346,609 0.33,610 1,611 0.681,612 115.532,613 -0.086,614 0.07,615 0.016,616 0.077,617 -0.109,618 0.064,619 0.042,620 -0.006,621 -0.099,622 -0.065,623 -0.029,624 -0.09,625 0.013,626 -0.014,627 -0.004,628 -0.039,629 0.012,630 -0.026,631 -0.123,632 -0.147,633 -0.132,634 -0.149,635 -0.091,636 -0.142,637 -0.009,638 -0.039,639 -0.012,640 -0.015,641 0.024,642 -0.015,643 -0.092,644 -0.023,645 0.019,646 0.027,647 -0.063,648 0.033,649 -0.068,650 -0.038,651 0.011,652 -0.012,653 -0.02,654 0.007,655 -0.128,656 -0.039,657 -0.06,658 -0.021,659 -0.127,660 -0.032,661 1.796,662 5.458,663 0.75,664 22.139,665 0.993,666 1.117,667 2.291,668 5.25,669 0.688,670 3.296,671 3.555,672 3.807,673 3.989,674 4.174,675 4.111,676 4.205,677 4.174,678 4.234,679 4.263,680 6.366,681 0.651,682 317.42,683 3.296,684 4.796,685 5.624,686 6.466,687 7.309,688 8.156,689 9.002,690 9.851,691 10.7,692 11.55,693 7,694 1,700 1,703 1,709 13,710 1,714 4,716 18,723 1,735 43,737 19,738 2,739 26,741 45,742 20,743 17,744 3,745 9,746 1,748 3,749 3,754 1,760 1,762 18,763 2,767 1,772 1,776 1,779 1,780 1,783 19,784 4,785 3,786 4,792 3,797 1,798 1,809 1,816 3,836 1,843 3,851 24,852 1,858 1,860 1,863 1,874 2.3,877 1,881 12,882 7.367,883 5.5,884 2.418,886 2.98,887 1.44,888 0.993,889 5.119,890 9.757,891 3.611,892 4.151,893 4.707,894 5.218,895 5.74,896 5.796,897 6.211,898 6.411,899 6.708,900 6.982,901 1,902 35,903 8.838,905 3.679,906 7.736,907 16.836,909 13.515,911 2.236,912 53.667,916 188.338,917 141.886,918 67.693,920 25.145,923 141.886,924 213.483,925 67.693,927 53.014,928 104.239,929 70.177,930 30.837,932 164.795,934 188.338,935 209.58,936 25.145,939 188.338,940 25.145,943 71.108,944 121.686,945 16.786,947 188.338,948 92.838,949 141.886,952 188.338,953 19.553,954 122.334,955 18.011,956 74.828,957 188.338,958 92.838,959 141.886,961 0.562,962 0.335,963 0.18,964 0.096,965 15,966 6,967 0.111,968 5,970 1,971 3.714,972 184.743,974 18,975 98.039,981 16.067,982 7.646,983 3.95,985 92.838,986 24.641,987 4.012,991 3.734,993 50.908,994 423.062,995 36,1000 12.458,1004 -0.129,1007 42.702,1008 48.026,1009 0.263,1010 0.561,1011 0.722,1012 0.851,1013 0.88,1014 0.88,1015 4.792,1016 1,1017 5.565,1018 2.666,1019 4.234,1020 4.836,1021 1.331,1022 6.312,1023 4.214,1024 5.963,1025 1,1026 7.083,1027 2.386,1028 3.611,1029 4.29,1031 7.111,1032 3.608,1033 7.231,1034 1,1035 8.706,1036 2.275,1037 5.759,1038 6.939,1039 1.343,1040 10.179,1041 5.725,1042 8.535,1043 1,1044 10.393,1045 2.136,1046 6.019,1047 7.234,1049 11.827,1050 6.002,1051 9.872,1052 0.238,1053 12.122,1054 2.136,1055 7.568,1056 9.301,1057 1.438,1058 14.361,1059 7.526,1060 11.232,1061 -0.361,1062 13.878,1063 0.359,1064 8.238,1065 10.015,1067 16.33,1068 8.207,1069 12.61,1070 -0.594,1071 15.652,1072 -0.838,1073 9.521,1074 11.787,1075 1.555,1076 18.669,1077 9.472,1078 2.947,1079 -0.889,1080 17.437,1081 -1.368,1082 10.39,1083 12.739,1085 20.77,1086 10.345,1087 2.835,1088 9.268,1089 19.231,1090 -1.963,1091 11.551,1092 14.343,1093 1.679,1094 23.032,1095 11.492,1096 2.616,1097 9.036,1098 21.03,1099 3.926,1100 12.516,1101 15.441,1103 25.189,1104 12.458,1105 1.945,1106 8.267,1107 22.833,1108 3.577,1109 13.621,1110 16.944,1111 1.807,1112 27.42,1113 13.552,1114 1.812,1115 4.912,1116 24.638,1117 3.478,1118 14.635,1119 18.133,1121 29.603,1122 14.562,1123 1.405,1124 4.443,1125 26.446,1126 2.777,1127 15.714,1128 19.576,1129 1.939,1130 31.821,1131 15.633,1132 1.157,1133 3.294,1134 28.255,1135 2.372,1136 16.752,1137 20.824,1139 34.018,1140 16.665,1141 6544,1142 10552,1143 17.682,1144 29.563,1145 38.189,1146 38.944,1147 38.93,1148 37.852,1149 37.909,1150 51.66,1151 3.107,1152 102.353,1153 37.479,1154 5.168,1155 5.589,1156 6.017,1157 4.977,1158 4.947,1159 6.926,1160 2.162,1161 15.711,1162 4.932,1163 8.553,1164 1.469,1165 1.498,1166 1.497,1167 1.456,1168 1.458,1169 1.987,1170 0.12,1171 3.937,1172 1.442,1173 4.015,1174 4.043,1175 3.963,1176 3.951,1177 7.429,1178 3.95,1179 3.918,1180 3.951,1181 3.848,1182 3.856,1183 5.015,1184 3.85,1185 3.745,1186 3.782,1187 3.685,1188 3.638,1189 4.926,1190 3.644,1191 3.516,1192 3.591,1193 3.398,1194 3.329,1195 4.738,1196 3.335,1197 3.215,1198 3.273,1199 3.121,1200 2.986,1201 4.645,1202 3.013,1203 2.882,1204 2.961,1205 2.728,1206 2.735,1207 4.002,1208 2.715,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.78,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.674,1220 2.715,1221 0.165,1222 0.138,1223 0.239,1224 0.152,1225 0.113,1226 4.289,1227 0.151,1228 3.589,1229 0.042,1230 6.215,1231 0.356,1232 3.942,1233 0.113,1234 2.947,1235 3.926,1236 1.081,1237 9.268,1238 2.932,1239 1.979,1240 1.957,1241 2.073,1242 2.064,1243 1.218,1244 2.068,1245 1.919,1246 1.89,1247 2.041,1248 2.009,1249 1.162,1250 2.022,1251 1.718,1252 1.683,1253 1.839,1254 1.851,1255 0.876,1256 1.849,1257 1.481,1258 1.411,1259 1.717,1260 1.71,1261 0.837,1262 1.72,1263 1.107,1264 1.066,1265 1.296,1266 1.414,1267 0.281,1268 1.382,1269 0.886,1270 0.821,1271 1.181,1272 1.087,1273 0.218,1274 1.107,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 3.97,1289 5.242,1291 6.725,1293 8.291,1295 9.896,1301 5.811,1303 0.352,1305 2.985,1308 -0.196,1314 27.993,1315 61.425,1316 130.905,1317 168.521,1318 198.574,1319 205.329,1320 205.329,1321 38.196,1322 6.778,1323 68.01,1324 68.01,1325 18,1326 12.108,1327 4.322,1328 3.459,1329 39.431,1330 92,1331 84,1332 0.209,1333 175.542,1334 300.17,1335 420.083,1336 7460,1338 16.778,1339 0.699,1340 0.551,1341 16.778,1342 13.223,1343 11.775,1344 0.453,1345 0.302,1346 7.778,1347 11.525,1348 7.61,1349 6.35,1350 11.775,1351 7.84,1352 9.852,1353 0.29,1354 0.161,1355 9.852,1356 5.486,1357 8.453,1358 0.192,1359 0.089,1360 8.453,1361 3.904,1362 6.759,1363 0.128,1364 0.048,1365 6.759,1366 2.564,1367 5.364,1368 0.084,1369 0.026,1370 5.364,1371 1.661,1372 0.332,1373 72.49,1374 0.238,1375 23.782,1376 0.561,1377 120,1378 315.026,1379 126.35,1380 315.87,1381 432.86,1382 296,1383 138,1384 314.143,1385 144.184,1386 323.889,1387 466.94,1388 306,1389 5.1}
{0 CHEMBL1990288,1 1.612,2 11.433,3 5.438,4 29.571,5 112.445,6 8.322,7 0.794,8 4.007,9 4.115,10 3.679,11 3.578,12 5.197,13 3.586,14 4.497,15 4.642,16 4.055,17 3.955,18 5.697,19 3.949,20 4.698,21 4.894,22 4.045,23 4.038,24 5.81,25 4.005,26 4.708,27 4.912,28 4.014,29 4.015,30 5.797,31 3.977,32 4.753,33 4.963,34 4.074,35 4.055,36 5.837,37 4.021,38 4.759,39 4.959,40 4.055,41 4.04,42 5.901,43 4.004,44 4.698,45 4.91,46 3.917,47 3.942,48 5.801,49 3.887,50 4.583,51 4.809,52 3.762,53 3.819,54 5.734,55 3.752,56 0.056,57 0.798,58 7.618,59 3.932,60 7.148,61 4.552,62 0.307,63 1.288,64 14.408,65 6.493,66 21.241,67 7.782,68 0.32,69 1.531,70 20.898,71 8.268,72 36.817,73 10.196,74 0.326,75 1.527,76 21.163,77 7.954,78 37.085,79 10.023,80 0.398,81 1.534,82 22.589,83 8.128,84 33.766,85 10.514,86 0.433,87 1.556,88 22.594,89 8.415,90 41.039,91 10.48,92 0.463,93 1.459,94 22.212,95 8.277,96 36.454,97 10.542,98 0.479,99 1.327,100 20.547,101 7.573,102 47.199,103 9.766,104 5,105 48,106 0.267,107 0.594,108 0.757,109 0.844,110 0.854,111 0.854,112 3.441,113 0.843,114 -5.41,115 -5.3,116 -4.95,119 47.9,120 1,127 1,142 10,143 2,144 1,145 1,146 2,150 1,151 2,152 1,162 1,172 10,174 4,175 3,178 2,180 2,183 11,187 1,188 4,193 2,196 7,199 1,200 11,205 3,208 3,212 2,213 11,216 1,218 1,221 3,224 1,225 9,228 1,230 1,233 4,237 1,238 6,241 1,243 2,246 2,250 6,255 2,258 4,264 6,272 7,276 1526,277 20.723,278 20.723,279 20.723,280 20.723,281 20.723,282 17.595,283 12.302,284 12.286,285 21.124,286 16.83,287 16.83,288 16.83,289 16.83,290 16.83,291 12.201,292 18.958,293 5.876,294 17.549,295 3.973,296 2.002,297 1.015,298 0.49,299 0.432,300 0.432,301 4.152,305 1,306 1,307 764,308 2.915,311 133.633,312 265.625,314 109.147,319 1.633,320 26.146,323 0.75,324 1,325 1,326 0.6,328 1,329 1,330 0.76,331 65,332 343,333 4.736,334 3.329,335 7.02,336 4.276,337 3.325,338 4.679,339 0.657,340 12.057,341 3.167,342 4.116,343 3.125,344 6.055,345 3.806,346 2.838,347 3.714,349 8.721,350 2.759,351 4.062,352 2.908,353 5.998,354 3.619,355 2.647,356 3.675,358 8.453,359 2.567,360 3.982,361 2.642,362 5.779,363 3.523,364 2.577,365 3.525,367 7.943,368 2.43,369 3.645,370 2.497,371 5.278,372 3.199,373 2.258,374 3.073,376 6.591,377 2.112,378 3.446,379 2.207,380 5.031,381 3.046,382 2.101,383 2.755,385 6.006,386 1.973,387 3.1,388 1.795,389 4.574,390 2.705,391 1.727,392 2.303,394 4.371,395 1.686,396 2.904,397 1.491,398 4.406,399 2.397,400 1.425,401 2.098,403 4.009,404 1.38,405 2.885,406 1.44,407 4.166,408 2.352,409 1.414,410 2.058,412 3.769,413 1.321,414 2.627,415 1.161,416 3.521,417 2.084,418 1.146,419 1.688,421 2.634,422 1.073,423 2.5,424 1.054,425 3.438,426 2,427 1,428 1.5,430 2.383,431 1,432 2.5,433 1,434 3.421,435 2,436 1,437 1.5,439 2.275,440 1,441 2.436,442 1,443 3.414,444 1.975,445 1,446 1.405,448 2.253,449 0.973,450 2.333,451 0.985,452 3.247,453 1.92,454 0.951,455 1.29,457 2.136,458 0.918,459 1.698,460 0.36,461 3.245,462 1.191,463 0.241,464 0.344,466 0.677,467 0.228,468 14.119,469 0.471,470 0.657,471 0.022,472 45,473 1.5,474 24.5,475 0.817,476 20.5,477 0.683,478 20.833,479 0.694,480 30.281,481 0.631,482 33.77,483 1.126,484 9.011,485 0.3,486 5.675,487 0.189,488 0.056,490 0.347,494 1,496 0.735,497 1.155,498 0.66,499 1.003,500 0.598,501 0.853,502 0.682,503 0.967,504 0.777,505 0.961,506 0.587,507 0.91,508 0.988,509 1.068,510 0.933,511 0.968,512 0.95,513 0.939,514 0.922,515 1.074,516 0.991,517 1.007,518 0.852,519 0.996,520 0.766,521 0.844,522 0.894,523 0.867,524 0.489,525 0.878,526 0.942,527 0.909,528 0.992,529 0.984,530 0.625,531 0.99,532 0.905,533 0.972,534 1.019,535 1.019,536 0.831,537 1.038,538 0.828,539 0.937,540 1.006,541 0.97,542 0.825,543 1.006,544 5,545 0.113,546 3.111,547 2.007,548 1.651,549 0.9,550 0.446,551 0.523,552 0.357,553 0.265,554 12148,555 34043,556 2.186,557 37.5,559 11,560 2,561 1,562 1,564 3,567 1.732,568 2.093,569 3.455,570 -0.349,577 77.368,578 1.612,579 3.583,580 4.57,581 5.095,582 5.153,583 5.153,584 2.911,585 4.44,586 4.876,587 3.604,588 1567.74,589 8.528,590 21344.6,595 268.078,596 1.231,597 4.859,598 0.147,599 0.005,600 0.065,601 0.043,602 0.037,603 0.019,604 0.01,605 0.013,606 0.011,607 0.009,608 0.358,609 0.17,610 0.88,611 0.424,612 152.882,613 -0.046,614 -0.179,615 0.057,616 -0.08,617 -0.065,618 -0.008,619 0.16,620 0.015,621 0.035,622 -0.044,623 0.069,624 -0.045,625 -0.09,626 -0.073,627 -0.005,628 -0.013,629 -0.053,630 0.006,631 -0.101,632 -0.108,633 -0.062,634 -0.079,635 -0.089,636 -0.062,637 -0.011,638 0.033,639 0.039,640 0.046,641 0.014,642 0.058,643 -0.027,644 -0.011,645 -0.048,646 -0.054,647 0.034,648 -0.056,649 0.053,650 -0.055,651 -0.034,652 -0.059,653 -0.022,654 -0.068,655 0.137,656 0.038,657 0.006,658 0.011,659 0.164,660 -0.007,661 1.966,662 5.412,663 0.867,664 29.049,665 1.011,666 1.124,667 4.185,668 17.511,669 0.703,670 3.555,671 3.892,672 4.205,673 4.522,674 4.762,675 4.89,676 5.069,677 5.198,678 5.318,679 5.357,680 6.6,681 0.685,682 399.46,683 3.555,684 5.106,685 5.974,686 6.866,687 7.755,688 8.657,689 9.557,690 10.466,691 11.372,692 12.285,693 10.4,698 1,701 1,703 3,708 1,709 13,710 3,712 1,714 7,716 27,728 1,734 1,735 48,737 27,738 2,739 34,741 52,742 23,743 21,744 3,745 9,748 5,749 6,754 1,760 1,762 21,763 2,781 1,783 18,784 6,785 1,786 7,789 1,792 5,797 0.8,798 1,802 1,810 1,815 2,816 3,818 1,843 4,847 1,849 1,851 30,860 1,863 1,873 1,874 2.1,879 1,881 14.333,882 9.026,883 6.5,884 2.838,886 4.982,887 1.616,888 1.041,889 4.777,890 13.064,891 3.882,892 4.538,893 5.193,894 5.854,895 6.41,896 6.8,897 7.313,898 7.729,899 8.182,900 8.513,901 0.875,902 47,903 11.04,905 4.77,906 7.756,907 20.922,909 17.26,911 2.256,912 67.667,916 200.109,917 163.062,918 69.654,920 9.507,921 14.96,923 163.062,924 209.616,925 84.614,926 8.825,928 115.549,929 80.138,930 44.825,931 43.158,932 164.795,934 200.109,935 232.716,936 24.467,939 179.756,940 44.821,943 30.55,944 133.798,945 68.367,947 215.069,948 79.161,949 163.062,952 200.109,953 29.64,954 134.708,955 18.011,956 74.824,957 200.109,958 94.121,959 163.062,961 0.581,962 0.343,963 0.193,964 0.107,965 25,966 10,967 0.096,968 5,969 1,970 1.077,971 4.176,972 281.993,973 0.077,974 26,975 139.207,981 18.53,982 7.733,983 3.613,984 0.44,985 92.835,986 23.187,987 13.667,989 5.477,991 4.217,993 18.011,994 457.292,995 47.5,1007 48.534,1008 53.947,1009 0.289,1010 0.642,1011 0.818,1012 0.912,1013 0.923,1014 0.923,1015 5.104,1016 1.425,1017 5.953,1018 4.371,1019 4.575,1020 5.226,1021 0.623,1022 6.783,1023 4.491,1024 6.325,1025 1.414,1026 7.516,1027 4.009,1028 4.111,1029 4.956,1031 7.714,1032 3.959,1033 7.635,1034 1.146,1035 9.182,1036 3.769,1037 6.176,1038 7.483,1039 0.317,1040 10.866,1041 6.007,1042 8.986,1043 1,1044 10.911,1045 2.634,1046 6.581,1047 8.11,1049 12.701,1050 6.344,1051 10.371,1052 1,1053 12.684,1054 2.383,1055 8.085,1056 10.052,1057 0.149,1058 15.376,1059 7.829,1060 11.784,1061 1,1062 14.487,1063 2.275,1064 8.895,1065 11.124,1067 17.592,1068 8.576,1069 13.217,1070 0.951,1071 16.315,1072 2.253,1073 10.182,1074 12.818,1075 0.067,1076 20.124,1077 9.833,1078 3.325,1079 0.241,1080 18.16,1081 2.136,1082 11.186,1083 14.121,1085 22.5,1086 10.779,1087 2.838,1088 12.057,1089 20.021,1090 0.677,1091 12.392,1092 15.712,1093 0.03,1094 24.994,1095 11.947,1096 2.647,1097 8.721,1098 21.894,1099 4.679,1100 13.489,1101 17.133,1103 27.437,1104 12.989,1105 2.577,1106 8.453,1107 23.778,1108 3.714,1109 14.671,1110 18.684,1111 0.013,1112 29.922,1113 14.127,1114 2.258,1115 7.943,1116 25.671,1117 3.675,1118 15.815,1119 20.165,1121 32.392,1122 15.217,1123 2.101,1124 6.591,1125 27.571,1126 3.525,1127 16.993,1128 21.703,1129 0.006,1130 34.878,1131 16.348,1132 1.727,1133 6.006,1134 29.479,1135 3.073,1136 18.16,1137 23.214,1139 37.359,1140 17.462,1141 11237,1142 19018,1143 23.463,1144 33.75,1145 52.027,1146 51.575,1147 52.48,1148 51.421,1149 51.299,1150 71.213,1151 1.315,1152 148.556,1153 49.175,1154 5.566,1155 5.329,1156 6.822,1157 5.351,1158 5.325,1159 7.679,1160 1.315,1161 19.41,1162 5.167,1163 10.253,1164 1.53,1165 1.517,1166 1.544,1167 1.512,1168 1.509,1169 2.095,1170 0.039,1171 4.369,1172 1.446,1173 4.17,1174 4.205,1175 4.154,1176 3.999,1177 8.201,1178 4.029,1179 3.936,1180 3.974,1181 3.867,1182 3.863,1183 5.266,1184 3.858,1185 3.854,1186 3.883,1187 3.806,1188 3.748,1189 4.979,1190 3.761,1191 3.766,1192 3.815,1193 3.723,1194 3.576,1195 4.749,1196 3.609,1197 3.423,1198 3.496,1199 3.28,1200 3.27,1201 4.646,1202 3.261,1203 3.19,1204 3.224,1205 3.139,1206 3.04,1207 4.25,1208 3.057,1209 2.876,1210 2.975,1211 2.762,1212 2.735,1213 4.143,1214 2.715,1215 2.854,1216 2.925,1217 2.688,1218 2.735,1219 3.92,1220 2.715,1221 0.139,1222 0.098,1223 0.206,1224 0.126,1225 0.098,1226 4.736,1227 0.138,1228 3.329,1229 0.019,1230 7.02,1231 0.355,1232 4.276,1233 0.093,1234 3.325,1235 4.679,1236 0.657,1237 12.057,1238 3.167,1239 1.932,1240 1.903,1241 2.055,1242 2.049,1243 1.196,1244 2.045,1245 1.912,1246 1.886,1247 2.001,1248 1.997,1249 1.11,1250 2.002,1251 1.773,1252 1.732,1253 1.857,1254 1.926,1255 0.913,1256 1.913,1257 1.499,1258 1.437,1259 1.716,1260 1.727,1261 0.83,1262 1.705,1263 1.406,1264 1.339,1265 1.591,1266 1.638,1267 0.626,1268 1.623,1269 1.313,1270 1.298,1271 1.351,1272 1.603,1273 0.323,1274 1.558,1275 1.12,1276 1.091,1277 1.232,1278 1.296,1279 0.262,1280 1.276,1281 0.886,1282 0.821,1283 1.181,1284 1.131,1285 0.247,1286 1.152,1287 4.234,1289 5.565,1290 3.045,1291 7.088,1292 5.416,1293 8.699,1294 7.535,1295 10.361,1297 2.058,1299 13.412,1305 3.344,1308 0.039,1314 32.893,1315 77.368,1316 171.998,1317 219.349,1318 244.568,1319 247.323,1320 247.323,1321 40.975,1322 8.082,1323 68.25,1324 68.25,1325 28,1326 12.8,1327 4.807,1328 3.858,1329 41.451,1330 116,1331 128,1332 0.171,1333 198.464,1334 328.34,1335 476.013,1336 39123,1337 2.1,1338 20.501,1339 0.683,1340 0.539,1341 19.631,1342 16.158,1343 14.687,1344 0.432,1345 0.281,1346 9.41,1347 14.1,1348 9.228,1349 7.648,1350 14.293,1351 9.553,1352 13.255,1353 0.276,1354 0.144,1355 12.634,1356 6.914,1357 11.475,1358 0.174,1359 0.075,1360 11.064,1361 4.923,1362 9.927,1363 0.109,1364 0.038,1365 9.775,1366 3.418,1367 8.076,1368 0.07,1369 0.019,1370 7.846,1371 2.232,1372 0.265,1373 92.111,1374 0.206,1375 28.112,1376 0.478,1377 164,1378 522.76,1379 182.447,1380 484.488,1381 675.26,1382 456,1383 196,1384 516.641,1385 214.499,1386 515.152,1387 760.26,1388 487,1389 5.1}
{0 CHEMBL1990415,1 1.6,2 9.227,3 1.751,4 3.067,5 78.606,6 8.767,7 0.84,8 3.654,9 3.766,10 3.367,11 3.248,12 4.896,13 3.263,14 4.102,15 4.233,16 3.722,17 3.62,18 5.356,19 3.62,20 4.297,21 4.471,22 3.729,23 3.66,24 5.513,25 3.645,26 4.278,27 4.476,28 3.579,29 3.523,30 5.512,31 3.502,32 4.142,33 4.34,34 3.498,35 3.375,36 5.459,37 3.37,38 3.978,39 4.165,40 3.364,41 3.29,42 5.212,43 3.279,44 3.938,45 4.151,46 3.19,47 3.219,48 5.083,49 3.174,50 3.803,51 4.029,52 3.018,53 3.051,54 4.987,55 3.003,56 0.077,57 0.543,58 4.523,59 2.39,60 5.648,61 2.597,62 0.172,63 0.841,64 7.72,65 3.878,66 14.033,67 4.383,68 0.217,69 0.971,70 11.812,71 5.043,72 22.177,73 5.894,74 0.314,75 0.918,76 13.05,77 4.775,78 32.882,79 5.446,80 0.331,81 0.781,82 12.144,83 4.325,84 42.422,85 5.058,86 0.215,87 0.704,88 8.963,89 3.295,90 23.254,91 3.722,92 0.185,93 0.659,94 9.366,95 3.488,96 15.796,97 4.201,98 0.183,99 0.548,100 9.154,101 3.315,102 21.277,103 4.102,104 2,105 35,106 0.287,107 0.6,108 0.755,109 0.851,110 0.862,111 0.862,112 3.147,113 0.812,114 -3.32,115 -3.3,116 -3.17,119 48.5,142 7,143 3,145 2,146 1,149 1,153 1,158 1,168 1,172 8,174 1,175 7,178 1,179 1,180 3,183 7,188 7,191 2,193 4,196 5,200 4,203 2,205 3,208 4,212 2,213 4,216 1,218 5,221 4,224 1,225 5,230 4,233 3,238 4,241 1,243 1,246 3,249 1,250 3,258 4,263 1,264 2,272 5,276 602,277 15.292,278 15.292,279 15.292,280 15.292,281 15.292,282 12.777,283 7.52,284 9.12,285 15.519,286 12.381,287 12.381,288 12.381,289 12.381,290 12.381,291 8.614,292 10.692,293 4.367,294 12.724,295 3.444,296 1.702,297 0.838,298 0.303,299 0.242,300 0.242,301 3.851,304 1,305 1,306 1,307 454,308 2.646,311 36.604,312 152.816,315 63.329,316 75.006,319 1.43,320 18.777,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 47.5,332 203,333 4.634,334 3.58,335 6.605,336 4.13,337 3.162,338 4.66,339 1.058,340 10.597,341 3.063,342 4.201,343 3.147,344 6.093,345 3.805,346 2.808,347 3.946,349 8.868,350 2.798,351 4.088,352 2.691,353 5.987,354 3.621,355 2.636,356 3.663,358 8.443,359 2.591,360 3.417,361 2.188,362 5.13,363 2.924,364 1.982,365 2.808,367 6.027,368 1.864,369 3.244,370 1.975,371 4.581,372 2.722,373 1.751,374 2.537,376 4.736,377 1.694,378 3.023,379 1.633,380 4.18,381 2.524,382 1.551,383 2.258,385 3.786,386 1.507,387 2.876,388 1.407,389 3.898,390 2.373,391 1.394,392 2.051,394 3.071,395 1.361,396 2.615,397 1.323,398 3.617,399 2.098,400 1.116,401 1.673,403 2.857,404 1.094,405 2.544,406 1.116,407 3.447,408 1.993,409 1.018,410 1.5,412 2.449,413 0.983,414 2.5,415 1,416 3.247,417 1.984,418 1,419 1.492,421 2.136,422 0.983,423 1.92,424 0.655,425 3.068,426 1.421,427 0.443,428 0.643,430 1.082,431 0.431,432 1.138,433 0.202,434 2.669,435 0.7,436 -0.276,437 -0.369,439 -0.714,440 -0.266,441 1.007,442 -0.441,443 2.594,444 0.484,445 -0.491,446 -0.735,448 -1.368,449 -0.478,450 0.759,451 -0.496,452 2,453 0.263,454 -0.726,455 -1.006,457 -1.604,458 -0.705,459 0.678,460 -0.698,461 2,462 0.203,463 -0.803,464 -1.231,466 -2.01,467 -0.812,468 10.333,469 0.47,470 0.448,471 0.02,472 34.75,473 1.58,474 20,475 0.909,476 14.75,477 0.67,478 11.877,479 0.54,480 21.467,481 0.651,482 22.773,483 1.035,484 7.017,485 0.319,486 3.792,487 0.172,488 0.032,490 0.339,496 0.733,497 1.064,498 0.643,499 0.842,500 0.585,501 0.741,502 0.66,503 1.09,504 0.79,505 0.994,506 0.628,507 0.93,508 0.97,509 1.143,510 0.94,511 1.094,512 0.924,513 1.03,514 1.312,515 1.047,516 1.13,517 1.028,518 1.381,519 1.039,520 1.293,521 0.967,522 0.94,523 0.875,524 1.557,525 0.86,526 1.203,527 1.149,528 1.084,529 0.984,530 0.982,531 0.994,532 1.047,533 0.938,534 1.125,535 1.005,536 0.811,537 1.048,538 1.111,539 0.782,540 0.999,541 0.864,542 1.142,543 0.899,544 3.5,545 0.021,546 2.444,547 1.229,548 1.173,549 0.65,550 0.254,551 0.227,552 0.14,553 0.061,554 5328,555 15373,556 2.205,557 33.3,559 7,561 2,562 2,567 1.644,568 2.129,569 3.206,570 0.348,572 1,574 1,577 52.802,578 1.6,579 3.342,580 4.206,581 4.741,582 4.802,583 4.802,584 2.698,585 4.096,586 4.432,587 3.31,588 764.57,589 7.607,590 8231.04,591 1,592 1,594 1,595 166.465,596 1.143,597 4.418,598 0.14,599 0.003,600 0.07,601 0.036,602 0.042,603 0.025,604 0.011,605 0.012,606 0.009,607 0.005,608 0.352,609 0.67,610 1,611 0.405,612 100.537,613 -0.031,614 0.009,615 0.033,616 0.037,617 -0.072,618 0.045,619 0.114,620 -0.038,621 -0.049,622 -0.102,623 0.005,624 -0.11,625 -0.032,626 -0.153,627 -0.034,628 -0.151,629 -0.016,630 -0.108,631 -0.118,632 -0.062,633 -0.125,634 -0.08,635 -0.113,636 -0.096,637 0.058,638 -0.01,639 0.112,640 0.097,641 0.042,642 0.107,643 -0.14,644 -0.118,645 -0.145,646 -0.072,647 -0.025,648 -0.097,649 -0.128,650 0.049,651 -0.123,652 -0.043,653 -0.032,654 -0.064,655 -0.074,656 0.145,657 0.088,658 0.153,659 -0.01,660 0.157,661 1.888,662 5.212,663 0.864,664 16.579,665 1.015,666 1.12,667 2.089,668 4.364,669 0.72,670 3.258,671 3.584,672 3.892,673 4.174,674 4.419,675 4.489,676 4.663,677 4.796,678 4.852,679 4.836,680 5.406,681 0.709,682 289.32,683 3.258,684 4.796,685 5.659,686 6.541,687 7.422,688 8.311,689 9.2,690 10.093,691 10.986,692 11.882,693 15.2,700 1,701 1,703 3,708 4,709 9,710 3,711 1,714 2,716 21,723 1,735 33,737 22,738 1,739 25,741 36,742 16,743 15,744 2,745 4,746 1,748 4,749 7,762 16,767 1,772 1,776 1,779 1,780 1,783 11,784 5,785 2,786 6,792 5,797 0.5,798 1,807 1,809 2,815 1,816 3,819 1,820 1,843 2,851 22,860 1,874 3,877 1,881 10.333,882 6.017,883 4.778,884 1.868,886 4.19,887 1.571,888 1.069,889 2.972,890 11.525,891 3.624,892 4.301,893 4.979,894 5.639,895 6.252,896 6.645,897 7.17,898 7.643,899 7.991,900 8.224,901 1,902 34,903 8.07,905 3.502,906 7.803,907 15.161,909 12.472,911 2.303,912 50.667,916 105.94,917 103.652,918 84.908,920 25.145,923 103.652,924 131.085,925 84.908,927 18.011,928 66.334,929 103.626,930 49.277,932 82.398,934 105.94,935 188.56,936 25.145,939 107.655,940 25.145,943 57.241,944 79.37,945 50.234,947 105.94,948 110.053,949 103.652,952 105.94,953 19.224,954 84.429,955 34.674,956 75.379,957 105.94,958 110.053,959 103.652,961 0.579,962 0.344,963 0.191,964 0.104,965 19,966 7,967 0.056,968 2,969 2,970 1.211,971 3.535,972 179.361,973 0.211,974 19,975 94.107,981 12.779,982 5.117,983 2.304,984 3.217,985 93.39,986 16.212,987 12.526,988 2.829,991 1.071,993 34.674,994 319.645,995 36.5,1000 12.212,1004 -0.221,1007 33.487,1008 36.947,1009 0.317,1010 0.663,1011 0.834,1012 0.94,1013 0.952,1014 0.952,1015 4.83,1016 1.116,1017 5.631,1018 3.071,1019 4.263,1020 4.987,1021 1.176,1022 6.444,1023 4.212,1024 6.059,1025 1.018,1026 7.185,1027 2.857,1028 3.761,1029 4.796,1031 7.322,1032 3.704,1033 7.376,1034 1,1035 8.841,1036 2.449,1037 5.849,1038 7.31,1039 1.255,1040 10.446,1041 5.752,1042 8.735,1043 0.443,1044 10.559,1045 2.136,1046 6.217,1047 8.011,1049 12.173,1050 6.113,1051 10.128,1052 -0.276,1053 12.317,1054 1.082,1055 7.737,1056 9.945,1057 1.338,1058 14.783,1059 7.597,1060 11.547,1061 -0.491,1062 14.101,1063 -0.714,1064 8.509,1065 11.072,1067 16.852,1068 8.355,1069 12.985,1070 -0.726,1071 15.903,1072 -1.368,1073 9.792,1074 12.762,1075 1.422,1076 19.284,1077 9.605,1078 3.162,1079 -0.803,1080 17.719,1081 -1.604,1082 10.753,1083 14.096,1085 21.501,1086 10.544,1087 2.808,1088 10.597,1089 19.545,1090 -2.01,1091 11.938,1092 15.683,1093 1.51,1094 23.87,1095 11.698,1096 2.636,1097 8.868,1098 21.378,1099 4.66,1100 12.988,1101 17.117,1103 26.155,1104 12.72,1105 1.982,1106 8.443,1107 23.217,1108 3.946,1109 14.135,1110 18.663,1111 1.599,1112 28.505,1113 13.835,1114 1.751,1115 6.027,1116 25.06,1117 3.663,1118 15.227,1119 20.146,1121 30.823,1122 14.896,1123 1.551,1124 4.736,1125 26.908,1126 2.808,1127 16.362,1128 21.679,1129 1.69,1130 33.169,1131 15.998,1132 1.394,1133 3.786,1134 28.759,1135 2.537,1136 17.476,1137 23.186,1139 35.503,1140 17.079,1141 4951,1142 8532,1143 17.394,1144 23.767,1145 38.007,1146 38.759,1147 38.105,1148 37.721,1149 37.719,1150 54.462,1151 2.117,1152 108.103,1153 36.738,1154 5.467,1155 5.58,1156 6.407,1157 5.181,1158 5.162,1159 7.66,1160 2.117,1161 17.497,1162 5.063,1163 5.522,1164 1.52,1165 1.55,1166 1.524,1167 1.509,1168 1.509,1169 2.178,1170 0.085,1171 4.324,1172 1.47,1173 4.16,1174 4.199,1175 4.135,1176 4.058,1177 7.429,1178 4.071,1179 3.888,1180 3.922,1181 3.838,1182 3.779,1183 5.171,1184 3.788,1185 3.748,1186 3.8,1187 3.694,1188 3.612,1189 4.882,1190 3.627,1191 3.267,1192 3.311,1193 3.221,1194 3.008,1195 4.725,1196 3.051,1197 3.059,1198 3.126,1199 2.959,1200 2.897,1201 4.144,1202 2.906,1203 2.978,1204 3.037,1205 2.903,1206 2.79,1207 3.979,1208 2.812,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.827,1214 2.715,1215 2.581,1216 2.671,1217 2.471,1218 2.35,1219 3.674,1220 2.372,1221 0.185,1222 0.143,1223 0.264,1224 0.165,1225 0.126,1226 4.634,1227 0.186,1228 3.58,1229 0.042,1230 6.605,1231 0.424,1232 4.13,1233 0.123,1234 3.162,1235 4.66,1236 1.058,1237 10.597,1238 3.063,1239 2.045,1240 2.023,1241 2.114,1242 2.126,1243 1.233,1244 2.123,1245 1.844,1246 1.812,1247 1.944,1248 1.982,1249 0.971,1250 1.971,1251 1.549,1252 1.515,1253 1.657,1254 1.748,1255 0.771,1256 1.709,1257 1.327,1258 1.245,1259 1.438,1260 1.604,1261 0.341,1262 1.581,1263 1.029,1264 0.983,1265 1.206,1266 1.327,1267 0.239,1268 1.277,1269 0.91,1270 0.852,1271 1.181,1272 1.116,1273 0.218,1274 1.134,1275 0.886,1276 0.821,1277 1.101,1278 1.062,1280 1.107,1281 0.722,1282 0.682,1283 0.882,1284 0.874,1286 0.879,1287 3.932,1289 5.252,1290 2.398,1291 6.779,1292 4.727,1293 8.396,1294 6.823,1295 10.062,1305 2.821,1314 23.402,1315 52.802,1316 110.284,1317 138.814,1318 156.465,1319 158.465,1320 158.465,1321 26.708,1322 7.335,1323 83.56,1324 83.56,1325 23,1326 12.408,1327 4.524,1328 3.644,1329 29.943,1330 71,1331 68,1332 0.209,1333 143.368,1334 229.71,1335 341.578,1336 14980,1338 14.941,1339 0.679,1340 0.52,1341 14.941,1342 11.446,1343 10.81,1344 0.432,1345 0.271,1346 6.67,1347 10.416,1348 6.567,1349 5.44,1350 10.81,1351 6.764,1352 9.648,1353 0.276,1354 0.138,1355 9.648,1356 4.841,1357 8.495,1358 0.177,1359 0.071,1360 8.495,1361 3.428,1362 7.228,1363 0.113,1364 0.036,1365 7.228,1366 2.328,1367 5.98,1368 0.073,1369 0.019,1370 5.98,1371 1.545,1372 0.322,1373 67.66,1374 0.24,1375 21.598,1376 0.585,1377 120,1378 363.337,1379 131.262,1380 358.481,1381 499.06,1382 336,1383 143,1384 379.271,1385 154.957,1386 384.67,1387 562.6,1388 363,1389 5.1}
{0 CHEMBL1990482,1 1.617,2 7.111,3 1.122,4 1.259,5 66.006,6 8.51,7 0.8,8 3.476,9 3.594,10 3.152,11 3.054,12 4.742,13 3.066,14 3.908,15 4.042,16 3.505,17 3.417,18 5.218,19 3.412,20 4.091,21 4.263,22 3.496,23 3.463,24 5.309,25 3.442,26 4.087,27 4.28,28 3.426,29 3.358,30 5.384,31 3.339,32 4.006,33 4.228,34 3.22,35 3.22,36 5.255,37 3.174,38 3.768,39 3.978,40 2.886,41 3.076,42 4.87,43 2.992,44 3.599,45 3.808,46 2.765,47 2.898,48 4.776,49 2.811,50 3.519,51 3.764,52 2.419,53 2.509,54 4.79,55 2.425,56 0.059,57 0.452,58 4.267,59 2.027,60 8.034,61 2.295,62 0.135,63 0.683,64 7.111,65 3.388,66 20.059,67 4.063,68 0.163,69 0.774,70 10.192,71 4.162,72 23.58,73 4.996,74 0.244,75 0.768,76 10.738,77 3.81,78 29.752,79 4.649,80 0.294,81 0.679,82 11.084,83 3.776,84 30.466,85 4.774,86 0.152,87 0.512,88 8.502,89 3.364,90 24.416,91 4.207,92 0.067,93 0.425,94 7.023,95 3.118,96 9.006,97 4.142,98 0.14,99 0.37,100 7.555,101 2.482,102 22.206,103 3.17,104 6,105 28,106 0.306,107 0.626,108 0.777,109 0.842,110 0.842,111 0.842,112 2.962,113 0.817,114 -2.25,115 -2.29,116 -2.26,119 46.4,142 5,143 2,145 2,146 1,152 1,158 1,161 1,163 1,164 1,165 1,172 5,175 5,177 1,178 2,180 3,183 3,185 1,188 6,193 5,196 1,198 1,199 1,200 2,202 1,203 1,205 2,208 2,210 1,212 1,213 1,216 2,217 1,218 1,220 1,221 6,223 1,225 1,230 1,233 4,235 1,238 4,243 2,248 2,250 2,263 1,266 1,267 1,276 298,277 12.276,278 12.276,279 12.276,280 12.276,281 12.276,282 10.314,283 2.824,284 7.307,285 12.431,286 9.894,287 9.894,288 9.894,289 9.894,290 9.894,291 6.958,292 2.351,293 3.465,294 10.152,295 3.19,296 1.501,297 0.7,298 0.357,299 0.357,300 0.357,301 3.64,305 1,306 1,307 276,308 2.345,311 31.479,312 92.824,315 62.941,319 1.123,320 17.359,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 39,332 128,333 4.621,334 3.546,335 6.694,336 4.151,337 3.179,338 4.566,339 0.98,340 10.841,341 3.094,342 4.105,343 3.032,344 6.113,345 3.727,346 2.74,347 3.672,349 8.908,350 2.698,351 3.719,352 2.593,353 5.532,354 3.282,355 2.288,356 3.152,358 6.937,359 2.266,360 3.226,361 1.864,362 4.402,363 2.698,364 1.748,365 2.557,367 4.324,368 1.657,369 2.946,370 1.691,371 4.356,372 2.423,373 1.451,374 2.142,376 3.816,377 1.406,378 2.852,379 1.433,380 3.753,381 2.33,382 1.33,383 1.936,385 3.032,386 1.319,387 2.5,388 1,389 3.479,390 1.984,391 1,392 1.5,394 2.501,395 0.983,396 2.5,397 1,398 3.247,399 1.944,400 1,401 1.5,403 2.136,404 0.942,405 1.939,406 0.587,407 3.151,408 1.386,409 0.433,410 0.64,412 1.138,413 0.41,414 0.961,415 0.1,416 2.449,417 0.495,418 -0.493,419 -0.672,421 -1.216,422 -0.483,423 0.716,424 -0.478,425 2.309,426 0.25,427 -0.733,428 -0.997,430 -1.704,431 -0.718,432 0.5,433 -0.721,434 2,435 0.041,436 -1,437 -1.397,439 -2,440 -0.946,441 0.5,442 -1,443 1.595,444 -0.032,445 -1,446 -1.5,448 -2.347,449 -0.963,450 0.425,451 -1,452 1.555,453 -0.049,454 -1,455 -1.5,457 -2.882,458 -1.034,459 0.047,460 -1.37,461 1.501,462 -0.415,463 -1.382,464 -1.92,466 -4.313,467 -1.335,468 8.433,469 0.469,470 0.418,471 0.023,472 27.5,473 1.528,474 15.5,475 0.861,476 12,477 0.667,478 9.391,479 0.522,480 17.967,481 0.642,482 17.45,483 0.969,484 5.64,485 0.313,486 3.114,487 0.173,488 0.087,490 0.356,496 0.856,497 1.11,498 0.7,499 0.821,500 0.74,501 0.732,502 0.621,503 1.12,504 0.745,505 0.992,506 0.501,507 0.91,508 1.071,509 1.215,510 0.955,511 1.064,512 0.975,513 1.005,514 1.106,515 1.126,516 1.06,517 1.04,518 0.972,519 1.032,520 1.008,521 0.679,522 1.076,523 0.867,524 1.047,525 0.956,526 1.044,527 0.846,528 1.165,529 1.014,530 1.132,531 1.1,532 0.595,533 1.161,534 0.929,535 1.331,536 0.681,537 1.234,538 1.47,539 1.233,540 1.268,541 1.274,542 1.707,543 1.256,544 3,546 2,547 1.194,548 0.889,549 0.657,550 0.209,551 0.129,552 0.063,553 0.031,554 2679,555 8373,556 2.12,557 35.7,559 5,561 2,562 3,567 1.59,568 2,569 2.87,570 1.197,572 1,574 1,577 45.281,578 1.617,579 3.307,580 4.107,581 4.45,582 4.45,583 4.45,584 2.288,585 3.281,586 4.142,587 2.956,588 452.23,589 7.044,590 4155.72,592 1,595 134.606,596 1.352,597 4.109,598 0.15,600 0.071,601 0.044,602 0.037,603 0.035,604 0.015,605 0.011,606 0.009,607 0.016,608 0.388,609 0.67,610 1,611 0.816,612 74.945,613 -0.16,614 -0.008,615 0.001,616 0.085,617 -0.159,618 0.084,619 0.12,620 -0.065,621 0.014,622 -0.065,623 0.125,624 -0.053,625 -0.159,626 -0.228,627 -0.074,628 -0.115,629 -0.098,630 -0.087,631 -0.056,632 -0.106,633 -0.123,634 -0.131,635 -0.007,636 -0.136,637 0.077,638 0.307,639 -0.058,640 0.077,641 -0.005,642 0.004,643 -0.181,644 0.058,645 -0.186,646 0.004,647 -0.185,648 -0.073,649 0.109,650 -0.315,651 0.059,652 -0.278,653 0.12,654 -0.153,655 -0.185,656 -0.384,657 -0.114,658 -0.281,659 -0.177,660 -0.208,661 2.145,662 4.319,663 0.833,664 10.827,665 1.014,666 1.123,667 1.023,668 1.047,669 0.706,670 3.045,671 3.367,672 3.664,673 3.951,674 4.159,675 4.22,676 4.344,677 4.357,678 4.29,679 4.234,680 4.381,681 0.692,682 238.27,683 3.045,684 4.575,685 5.434,686 6.319,687 7.201,688 8.095,689 8.986,690 9.883,691 10.779,692 11.678,693 14.3,700 1,701 1,703 2,708 2,709 7,710 2,711 1,714 3,716 16,722 1,735 28,737 17,738 1,739 20,741 30,742 13,743 12,744 3,745 3,746 1,748 3,749 4,762 13,767 1,772 1,776 1,780 1,783 10,784 4,785 3,786 5,789 1,792 4,797 0.667,798 1,809 1,815 1,816 2,819 1,843 2,851 18,852 1,874 3.6,877 1,881 9,882 4.983,883 3.944,884 1.511,886 3.248,887 1.495,888 1.048,889 2.485,890 9.809,891 3.401,892 4.056,893 4.722,894 5.388,895 5.951,896 6.317,897 6.805,898 7.198,899 7.439,900 7.755,901 0.8,902 27,903 6.584,905 2.827,906 7.917,907 12.262,909 9.962,911 2.417,912 43.5,913 0.001,916 82.398,917 83.168,918 83.254,920 25.145,923 83.168,924 107.543,925 83.254,927 32.897,928 47.381,929 89.291,930 43.396,931 2.144,932 58.856,934 82.398,935 166.422,936 25.145,939 82.398,940 25.145,943 72.25,944 60.601,945 33.571,947 82.398,948 108.399,949 83.168,952 82.398,953 17.692,954 65.476,955 16.786,956 91.613,957 82.398,958 108.399,959 83.168,961 0.579,962 0.342,963 0.192,964 0.105,965 15,966 6,967 0.067,968 2,969 1,970 1.133,971 3.048,972 133.183,973 0.133,974 15,975 71.059,981 10.781,982 4.148,983 1.854,984 1.384,985 91.613,986 12.385,987 8.375,988 3.16,991 2.029,993 49.683,994 273.964,995 29,1000 11.319,1004 -0.478,1007 28.385,1008 31.448,1009 0.336,1010 0.688,1011 0.854,1012 0.926,1013 0.926,1014 0.926,1015 4.605,1016 1,1017 5.416,1018 2.501,1019 4.043,1020 4.741,1021 1.072,1022 6.244,1023 3.993,1024 5.835,1025 0.433,1026 6.982,1027 2.136,1028 3.611,1029 4.543,1031 7.186,1032 3.559,1033 7.151,1034 -0.493,1035 8.654,1036 1.138,1037 5.638,1038 7.032,1039 1.045,1040 10.313,1041 5.544,1042 8.511,1043 -0.733,1044 10.39,1045 -1.216,1046 6.066,1047 7.724,1049 12.111,1050 5.961,1051 9.905,1052 -1,1053 12.166,1054 -1.704,1055 7.555,1056 9.646,1057 1.019,1058 14.738,1059 7.415,1060 11.325,1061 -1,1062 13.969,1063 -2,1064 8.373,1065 10.766,1067 16.867,1068 8.213,1069 12.766,1070 -1,1071 15.791,1072 -2.347,1073 9.646,1074 12.448,1075 0.993,1076 19.326,1077 9.455,1078 3.179,1079 -1.382,1080 17.627,1081 -2.882,1082 10.641,1083 13.776,1085 21.593,1086 10.426,1087 2.74,1088 10.841,1089 19.473,1090 -4.313,1091 11.829,1092 15.356,1093 0.967,1094 23.994,1095 11.584,1096 2.288,1097 8.908,1098 21.327,1099 4.566,1100 12.905,1101 16.784,1103 26.32,1104 12.633,1105 1.748,1106 6.937,1107 23.187,1108 3.672,1109 14.061,1110 18.323,1111 0.942,1112 28.703,1113 13.761,1114 1.451,1115 4.324,1116 25.052,1117 3.152,1118 15.175,1119 19.797,1121 31.057,1122 14.845,1123 1.33,1124 3.816,1125 26.921,1126 2.557,1127 16.322,1128 21.32,1129 0.917,1130 33.434,1131 15.964,1132 1,1133 3.032,1134 28.793,1135 2.142,1136 17.453,1137 22.816,1139 35.801,1140 17.067,1141 2635,1142 4737,1143 13.523,1144 19.762,1145 30.717,1146 30.972,1147 31.051,1148 30.298,1149 30.337,1150 43.328,1151 1.96,1152 87.264,1153 29.548,1154 5.262,1155 5.546,1156 6.496,1157 5.186,1158 5.179,1159 7.566,1160 1.96,1161 17.903,1162 5.094,1163 7.016,1164 1.536,1165 1.549,1166 1.553,1167 1.515,1168 1.517,1169 2.166,1170 0.098,1171 4.363,1172 1.477,1173 4.13,1174 4.168,1175 4.102,1176 4.015,1177 7.437,1178 4.032,1179 3.817,1180 3.856,1181 3.76,1182 3.725,1183 5.083,1184 3.728,1185 3.449,1186 3.503,1187 3.394,1188 3.208,1189 4.886,1190 3.246,1191 3.248,1192 3.31,1193 3.155,1194 3.047,1195 4.827,1196 3.069,1197 2.854,1198 2.925,1199 2.687,1200 2.735,1201 4.301,1202 2.715,1203 2.738,1204 2.832,1205 2.613,1206 2.525,1207 3.775,1208 2.536,1209 2.662,1210 2.729,1211 2.58,1212 2.455,1213 3.674,1214 2.481,1215 2.251,1216 2.354,1217 2.04,1218 1.969,1219 3.671,1220 1.976,1221 0.231,1222 0.177,1223 0.335,1224 0.208,1225 0.159,1226 4.621,1227 0.228,1228 3.546,1229 0.049,1230 6.694,1231 0.542,1232 4.151,1233 0.155,1234 3.179,1235 4.566,1236 0.98,1237 10.841,1238 3.094,1239 1.93,1240 1.908,1241 2.008,1242 2.031,1243 1.126,1244 2.025,1245 1.847,1246 1.812,1247 1.946,1248 1.975,1249 0.991,1250 1.969,1251 1.333,1252 1.278,1253 1.463,1254 1.618,1255 0.416,1256 1.578,1257 1.103,1258 1.039,1259 1.303,1260 1.444,1261 0.218,1262 1.407,1263 0.944,1264 0.891,1265 1.181,1266 1.132,1267 0.205,1268 1.128,1269 0.886,1270 0.821,1271 1.09,1272 1.062,1273 0.071,1274 1.107,1275 0.61,1276 0.521,1277 0.928,1278 0.874,1280 0.895,1281 0.397,1282 0.294,1283 0.731,1284 0.705,1286 0.718,1287 3.714,1289 5.03,1290 2.398,1291 6.553,1292 4.727,1293 8.167,1294 6.862,1295 9.828,1301 5.325,1314 19.381,1315 45.281,1316 92.59,1317 114.996,1318 124.606,1319 124.606,1320 124.606,1321 22.442,1322 6.561,1323 84.66,1324 84.66,1325 17,1326 12.202,1327 4.17,1328 3.322,1329 25.638,1330 49,1331 42,1332 0.281,1333 121.045,1334 195.35,1335 287.11,1336 5137,1338 12.535,1339 0.696,1340 0.523,1341 12.535,1342 9.421,1343 8.754,1344 0.438,1345 0.272,1346 5.372,1347 8.447,1348 5.28,1349 4.38,1350 8.754,1351 5.444,1352 7.892,1353 0.282,1354 0.139,1355 7.892,1356 3.887,1357 6.621,1358 0.174,1359 0.072,1360 6.621,1361 2.732,1362 5.706,1363 0.112,1364 0.037,1365 5.706,1366 1.877,1367 4.566,1368 0.072,1369 0.019,1370 4.566,1371 1.217,1372 0.42,1373 54.707,1374 0.272,1375 17.739,1376 0.833,1377 96,1378 292.671,1379 104.792,1380 289.626,1381 398.45,1382 270,1383 114,1384 297.665,1385 122.683,1386 303.254,1387 442.99,1388 286,1389 5.7}
{0 CHEMBL1990496,1 1.424,2 12.886,3 3.739,4 13.976,5 139.236,6 7.445,7 0.59,8 4.217,9 4.341,10 3.791,11 3.819,12 5.338,13 3.789,14 4.717,15 4.883,16 4.138,17 4.215,18 5.779,19 4.161,20 4.992,21 5.193,22 4.24,23 4.369,24 6.029,25 4.293,26 5.09,27 5.319,28 4.217,29 4.352,30 6.154,31 4.27,32 5.066,33 5.281,34 4.264,35 4.362,36 6.144,37 4.29,38 5.123,39 5.34,40 4.275,41 4.386,42 6.204,43 4.316,44 5.16,45 5.388,46 4.228,47 4.397,48 6.248,49 4.299,50 5.144,51 5.399,52 4.092,53 4.345,54 6.105,55 4.227,56 0.05,57 0.9,58 12.159,59 5.309,60 12.152,61 7.069,62 0.253,63 1.463,64 21.76,65 8.944,66 21.472,67 12.137,68 0.204,69 1.845,70 30.417,71 12.092,72 32.905,73 16.646,74 0.43,75 1.992,76 35.801,77 12.651,78 63.024,79 17.573,80 0.338,81 1.972,82 34.076,83 12.633,84 52.828,85 17.278,86 0.358,87 2.081,88 36.462,89 12.65,90 59.902,91 17.249,92 0.48,93 2.127,94 38.376,95 13.898,96 78.207,97 19.232,98 0.368,99 2.03,100 39.242,101 14.303,102 63.356,103 19.997,104 10,105 54,106 0.225,107 0.553,108 0.71,109 0.826,110 0.857,111 0.867,112 3.589,113 0.895,114 -5.31,115 -5.19,116 -4.86,119 46.8,121 1,124 1,125 1,127 1,136 1,138 1,142 14,143 5,145 2,158 1,159 1,163 1,164 1,165 1,172 21,174 2,175 6,178 2,180 1,183 26,185 1,188 6,192 1,193 2,195 1,196 22,198 1,199 1,200 8,203 1,205 5,208 13,210 2,212 1,213 13,215 2,216 2,218 7,221 10,223 2,225 9,230 5,233 7,235 1,237 2,238 13,240 1,241 2,243 5,246 8,248 2,250 10,255 5,258 10,260 3,264 6,269 4,272 11,274 2,276 2431,277 24.051,278 24.051,279 24.051,280 24.051,281 24.051,282 20.849,283 16.529,284 14.407,285 24.336,286 19.277,287 19.277,288 19.277,289 19.277,290 19.277,291 14.477,292 19.072,293 6.891,294 19.72,295 4.53,296 2.453,297 1.458,298 0.728,299 0.528,300 0.464,301 4.298,306 1,307 995,308 3.317,312 557.857,316 167.652,319 1.959,320 26.504,323 1,324 0.83,325 1,326 0.6,327 0.5,328 1,329 1,330 0.85,331 73.5,332 451,333 4.657,334 3.812,335 6.982,336 4.279,337 3.3,338 4.394,339 1.399,340 11.826,341 3.238,342 4.366,343 3.007,344 6.207,345 3.886,346 2.894,347 4.111,348 1.005,349 9.237,350 2.872,351 3.959,352 2.981,353 6.136,354 3.643,355 2.677,356 3.455,357 0.27,358 8.789,359 2.609,360 3.924,361 2.839,362 5.823,363 3.596,364 2.611,365 3.386,366 0.204,367 7.922,368 2.556,369 3.804,370 2.79,371 5.484,372 3.413,373 2.437,374 3.148,376 7.387,377 2.36,378 3.365,379 2.309,380 5.075,381 3.113,382 2.136,383 2.554,385 5.738,386 2.083,387 3.247,388 2.231,389 4.795,390 2.834,391 1.86,392 2.467,394 5.324,395 1.802,396 3.203,397 1.838,398 4.662,399 2.714,400 1.751,401 2.427,403 4.691,404 1.68,405 3.118,406 1.618,407 4.407,408 2.618,409 1.618,410 2.32,412 4.318,413 1.618,414 2.885,415 1.546,416 3.768,417 2.417,418 1.422,419 2.063,421 3.054,422 1.414,423 2.82,424 1.444,425 3.61,426 2.388,427 1.393,428 1.924,430 3.007,431 1.385,432 2.654,433 1.411,434 3.58,435 2.126,436 1.177,437 1.679,439 2.806,440 1.113,441 2.5,442 1.187,443 3.408,444 2,445 1,446 1.5,448 2.136,449 1,450 2.5,451 1,452 3.247,453 1.984,454 1,455 1.5,457 2.136,458 0.983,459 2.173,460 1,461 3.247,462 1.724,463 0.78,464 1.016,466 1.901,467 0.732,468 16.833,469 0.481,470 0.747,471 0.021,472 48.75,473 1.393,474 26.5,475 0.757,476 22.25,477 0.636,478 28.638,479 0.818,480 35.367,481 0.57,482 40.741,483 1.164,484 9.907,485 0.283,486 7.19,487 0.205,488 0.073,490 0.321,496 0.839,497 1.155,498 0.797,499 0.941,500 0.748,501 0.871,502 0.74,503 0.924,504 0.894,505 0.918,506 0.683,507 0.917,508 0.931,509 1.114,510 0.944,511 1.052,512 0.897,513 1.005,514 1.311,515 1.002,516 1.006,517 0.921,518 1.256,519 0.927,520 1.248,521 1.077,522 0.967,523 1.003,524 1.285,525 0.966,526 1.648,527 1.138,528 1.087,529 0.995,530 1.578,531 0.984,532 1.239,533 1.065,534 1.081,535 1.046,536 1.294,537 1.049,538 1.27,539 0.962,540 1.008,541 0.921,542 1.276,543 0.938,544 5.5,545 0.21,546 3.556,547 2.25,548 2.453,549 1.375,550 0.953,551 0.672,552 0.464,553 0.284,554 18355,555 43399,556 2.141,557 43.5,559 20,561 2,562 3,564 2,567 1.772,568 2.039,569 3.609,570 0.735,577 88.287,578 1.424,579 3.502,580 4.496,581 5.226,582 5.426,583 5.49,584 3.122,585 4.729,586 5.094,587 3.793,588 2256.79,589 8.975,590 34627.4,595 369.16,596 1.271,597 5.076,598 0.141,599 0.006,600 0.066,601 0.039,602 0.045,603 0.024,604 0.016,605 0.012,606 0.01,607 0.007,608 0.365,609 0.17,610 0.75,611 0.45,612 188.002,613 -0.054,614 -0.044,615 0.042,616 0.026,617 -0.098,618 0.042,619 0.15,620 0.163,621 -0.001,622 0.043,623 -0.003,624 0.011,625 0.006,626 -0.089,627 -0.003,628 -0.077,629 -0.001,630 -0.046,631 -0.005,632 0.023,633 -0.002,634 0.031,635 0.018,636 0.02,637 0.024,638 -0.051,639 0.019,640 -0.047,641 0.017,642 -0.022,643 -0.192,644 -0.094,645 -0.085,646 -0.057,647 -0.116,648 -0.058,649 0.055,650 -0.054,651 -0.078,652 -0.088,653 0.043,654 -0.097,655 -0.117,657 0.015,658 0.061,659 -0.078,660 0.052,661 1.791,662 6.692,663 0.8,664 41.296,665 0.993,666 1.117,667 4.078,668 16.628,669 0.691,670 3.689,671 4.007,672 4.304,673 4.585,674 4.868,675 4.949,676 5.13,677 5.283,678 5.412,679 5.447,680 7.455,681 0.655,682 461.61,683 3.689,684 5.231,685 6.089,686 6.969,687 7.847,688 8.737,689 9.625,690 10.521,691 11.416,692 12.318,693 8.1,694 1,695 1,700 1,702 1,703 1,708 2,709 16,710 1,714 3,716 23,735 62,737 26,738 3,739 39,741 66,742 29,743 21,744 4,745 12,746 4,748 5,749 6,752 1,760 2,762 25,763 4,767 3,772 1,775 1,776 4,783 27,784 6,785 3,786 6,792 5,797 0.8,798 1,809 1,816 5,820 1,830 1,834 1,835 1,836 1,838 1,843 4,847 1,851 35,852 1,858 2,860 1,863 1,864 1,874 1.6,877 1,881 17.167,882 11.267,883 7.694,884 3.589,886 3.91,887 1.482,888 1.022,889 6.603,890 12.021,891 3.998,892 4.6,893 5.214,894 5.812,895 6.417,896 6.698,897 7.184,898 7.647,899 8.082,900 8.328,901 0.889,902 58,903 12.944,905 5.535,906 7.638,907 24.863,909 20.562,911 2.138,912 74.833,916 282.506,917 191.048,918 87.603,920 25.145,923 191.048,924 307.651,925 87.603,926 8.396,927 40.662,928 150.678,929 72.934,930 52.769,931 1.899,932 258.964,934 282.506,935 278.651,936 25.145,939 258.964,940 48.687,943 93.553,944 165.556,945 19.542,947 282.506,948 112.748,949 191.048,952 282.506,953 31.889,954 162.283,955 18.011,956 91.613,957 282.506,958 112.748,959 191.048,961 0.577,962 0.341,963 0.189,964 0.108,965 26,966 11,967 0.106,968 7,969 1,970 1.071,971 4.539,972 342.903,973 0.071,974 28,975 171.525,981 22.825,982 10.125,983 4.96,984 2.194,985 112.748,986 31.471,987 4.133,991 2.834,993 50.908,994 586.302,995 53.5,1000 13.692,1003 4.907,1004 1.532,1007 61.556,1008 69.268,1009 0.239,1010 0.588,1011 0.755,1012 0.878,1013 0.911,1014 0.922,1015 5.224,1016 1.751,1017 6.061,1018 5.324,1019 4.691,1020 5.288,1021 1.899,1022 6.876,1023 4.65,1024 6.429,1025 1.618,1026 7.618,1027 4.691,1028 4.205,1029 4.956,1030 0.81,1031 7.786,1032 4.144,1033 7.731,1034 1.422,1035 9.28,1036 4.318,1037 6.279,1038 7.484,1039 2.131,1040 10.936,1041 6.199,1042 9.071,1043 1.393,1044 11.007,1045 3.054,1046 6.648,1047 8.006,1048 1.554,1049 12.721,1050 6.55,1051 10.446,1052 1.177,1053 12.777,1054 3.007,1055 8.164,1056 9.973,1057 2.512,1058 15.396,1059 8.05,1060 11.846,1061 1,1062 14.577,1063 2.806,1064 8.942,1065 10.933,1066 2.257,1067 17.553,1068 8.811,1069 13.267,1070 1,1071 16.4,1072 2.136,1073 10.232,1074 12.637,1075 2.993,1076 20.075,1077 10.085,1078 3.3,1079 0.78,1080 18.24,1081 2.136,1082 11.211,1083 13.834,1084 2.951,1085 22.4,1086 11.048,1087 2.894,1088 11.826,1089 20.094,1090 1.901,1091 12.413,1092 15.409,1093 3.544,1094 24.875,1095 12.234,1096 2.677,1097 9.237,1098 21.959,1099 4.394,1100 13.491,1101 16.732,1102 3.641,1103 27.276,1104 13.294,1105 2.611,1106 8.789,1107 23.834,1108 4.111,1109 14.663,1110 18.245,1111 4.142,1112 29.739,1113 14.45,1114 2.437,1115 7.922,1116 25.717,1117 3.455,1118 15.79,1119 19.635,1120 4.328,1121 32.176,1122 15.558,1123 2.136,1124 7.387,1125 27.607,1126 3.386,1127 16.957,1128 21.119,1129 4.769,1130 34.638,1131 16.707,1132 1.86,1133 5.738,1134 29.503,1135 3.148,1136 18.109,1137 22.545,1138 5.012,1139 37.091,1140 17.841,1141 17063,1142 26403,1143 26.641,1144 42.858,1145 58.99,1146 59.566,1147 59.705,1148 57.988,1149 57.947,1150 78.161,1151 5.757,1152 164.865,1153 56.7,1154 5.612,1155 5.812,1156 6.784,1157 5.351,1158 5.3,1159 7.394,1160 2.522,1161 19.439,1162 5.238,1163 13.138,1164 1.513,1165 1.527,1166 1.531,1167 1.487,1168 1.486,1169 2.004,1170 0.148,1171 4.227,1172 1.454,1173 4.115,1174 4.137,1175 4.075,1176 4.07,1177 7.428,1178 4.067,1179 3.945,1180 3.983,1181 3.892,1182 3.871,1183 5.019,1184 3.865,1185 3.908,1186 3.941,1187 3.841,1188 3.825,1189 4.948,1190 3.831,1191 3.729,1192 3.785,1193 3.67,1194 3.56,1195 4.875,1196 3.58,1197 3.588,1198 3.651,1199 3.472,1200 3.442,1201 4.735,1202 3.441,1203 3.433,1204 3.486,1205 3.333,1206 3.3,1207 4.674,1208 3.305,1209 3.128,1210 3.221,1211 3.02,1212 2.995,1213 4.312,1214 2.989,1215 3.119,1216 3.184,1217 2.983,1218 2.897,1219 3.988,1220 2.893,1221 0.119,1222 0.098,1223 0.179,1224 0.11,1225 0.085,1226 4.657,1227 0.113,1228 3.812,1229 0.036,1230 6.982,1231 0.303,1232 4.279,1233 0.083,1234 3.3,1235 4.394,1236 1.399,1237 11.826,1238 3.238,1239 2.087,1240 2.07,1241 2.164,1242 2.144,1243 1.305,1244 2.15,1245 1.927,1246 1.895,1247 2.063,1248 2.031,1249 1.267,1250 2.04,1251 1.885,1252 1.856,1253 1.97,1254 1.997,1255 1.058,1256 1.995,1257 1.664,1258 1.614,1259 1.83,1260 1.868,1261 0.978,1262 1.858,1263 1.567,1264 1.511,1265 1.741,1266 1.755,1267 0.807,1268 1.757,1269 1.421,1270 1.367,1271 1.631,1272 1.575,1273 0.7,1274 1.598,1275 1.13,1276 1.066,1277 1.411,1278 1.377,1279 0.551,1280 1.396,1281 1.081,1282 0.996,1283 1.336,1284 1.301,1285 0.438,1286 1.313,1287 4.369,1289 5.687,1291 7.213,1293 8.835,1295 10.51,1297 1.737,1301 6.379,1303 1.217,1305 3.303,1308 -0.126,1309 1.56,1314 40.617,1315 88.287,1316 217.102,1317 278.738,1318 324.041,1319 336.405,1320 340.405,1321 58.581,1322 8.111,1323 85.83,1324 85.83,1325 30,1326 12.841,1327 4.755,1328 3.954,1329 51.986,1330 151,1331 184,1332 0.162,1333 248.966,1334 431.69,1335 599.236,1336 38107,1338 24.2,1339 0.691,1340 0.559,1341 24.2,1342 19.556,1343 17.097,1344 0.438,1345 0.298,1346 11.532,1347 16.698,1348 11.235,1349 9.36,1350 17.097,1351 11.639,1352 15.153,1353 0.281,1354 0.16,1355 15.153,1356 8.652,1357 13.12,1358 0.18,1359 0.084,1360 13.12,1361 6.146,1362 10.987,1363 0.113,1364 0.044,1365 10.987,1366 4.295,1367 9.315,1368 0.072,1369 0.023,1370 9.315,1371 3.025,1372 0.253,1373 105.435,1374 0.194,1375 32.101,1376 0.45,1377 186,1378 468.316,1379 196.984,1380 470.196,1381 658.56,1382 442,1383 220,1384 496.059,1385 231.845,1386 511.221,1387 747.54,1388 482,1389 5.3}
{0 CHEMBL1990583,1 1.782,2 13.4,3 2.421,4 5.863,5 109.43,6 8.814,7 0.667,8 3.974,9 4.098,10 3.664,11 3.481,12 5.276,13 3.516,14 4.417,15 4.555,16 4.031,17 3.842,18 5.789,19 3.861,20 4.657,21 4.839,22 4.04,23 3.918,24 5.954,25 3.925,26 4.671,27 4.869,28 4.011,29 3.841,30 6.045,31 3.846,32 4.635,33 4.842,34 3.852,35 3.732,36 6.073,37 3.728,38 4.453,39 4.648,40 3.747,41 3.659,42 5.88,43 3.65,44 4.368,45 4.563,46 3.66,47 3.686,48 5.585,49 3.636,50 4.394,51 4.611,52 3.592,53 3.618,54 5.597,55 3.57,56 0.188,57 0.833,58 6.625,59 3.302,60 15.273,61 3.578,62 0.384,63 1.255,64 11.169,65 5.53,66 25.846,67 6.396,68 0.589,69 1.452,70 18.147,71 6.833,72 61.55,73 7.656,74 0.629,75 1.367,76 19.96,77 7.106,78 51.093,79 8.719,80 0.837,81 1.193,82 21.456,83 6.886,84 107.162,85 7.879,86 0.691,87 1.044,88 17.329,89 5.816,90 100.328,91 6.804,92 0.423,93 1.042,94 14.26,95 6.044,96 40.711,97 7.561,98 0.401,99 1.047,100 15.61,101 5.83,102 40.992,103 7.393,104 17,105 46,106 0.299,107 0.6,108 0.732,109 0.834,110 0.869,111 0.891,112 3.44,113 0.802,114 -3.74,115 -3.7,116 -3.52,119 43.5,142 9,143 1,144 4,147 1,148 1,151 1,152 1,158 1,159 1,163 1,164 1,165 1,166 1,172 5,174 1,175 3,177 1,178 4,179 1,180 7,183 5,187 1,188 4,190 1,191 1,193 7,196 3,198 1,199 1,200 7,202 1,203 2,205 6,208 2,210 1,212 2,213 5,215 1,216 3,217 2,218 3,220 1,221 4,225 3,230 1,233 6,238 6,241 2,242 1,243 3,246 6,248 2,250 4,255 3,258 4,260 2,263 1,264 1,267 2,269 3,272 2,276 1472,277 20.17,278 20.17,279 20.17,280 20.17,281 20.17,282 17.222,283 24.033,284 11.887,285 20.55,286 16.304,287 16.304,288 16.304,289 16.304,290 16.304,291 11.878,292 33.471,293 5.675,294 16.922,295 3.741,296 1.95,297 1.166,298 0.557,299 0.348,300 0.217,301 4.135,305 1,306 1,307 876,308 3.606,311 75.098,312 311.611,315 140.252,319 2.24,320 39.933,323 1,324 0.83,325 1,326 0.4,328 1,329 1,330 0.75,331 67,332 402,333 4.659,334 3.621,335 6.87,336 4.191,337 3.22,338 4.613,339 1.656,340 11.41,341 3.128,342 4.108,343 3.563,344 5.784,345 3.724,346 2.758,347 3.681,348 1.058,349 7.934,350 2.659,351 4.044,352 3.033,353 5.63,354 3.627,355 2.659,356 3.642,357 0.247,358 7.751,359 2.566,360 3.817,361 2.946,362 5.468,363 3.44,364 2.469,365 3.181,367 7.244,368 2.387,369 3.619,370 2.668,371 5.199,372 3.215,373 2.238,374 2.911,376 6.45,377 2.173,378 3.422,379 2.315,380 5.033,381 2.969,382 2.022,383 2.806,385 5.677,386 1.912,387 3.352,388 2.227,389 4.873,390 2.919,391 1.975,392 2.625,394 5.636,395 1.857,396 3.135,397 2.087,398 4.494,399 2.685,400 1.705,401 2.321,403 4.602,404 1.647,405 2.936,406 1.757,407 4.205,408 2.391,409 1.425,410 2.084,412 3.575,413 1.368,414 2.658,415 1.275,416 3.757,417 2.171,418 1.181,419 1.729,421 2.593,422 1.166,423 2.522,424 1.14,425 3.479,426 2,427 1.016,428 1.502,430 2.569,431 1,432 2.5,433 1,434 3.414,435 1.985,436 1,437 1.5,439 2.275,440 0.979,441 2.154,442 0.824,443 3.303,444 1.661,445 0.707,446 0.988,448 1.746,449 0.671,450 1.492,451 0.776,452 2.973,453 1.158,454 0.193,455 0.233,457 0.488,458 0.184,459 1.188,460 0.515,461 2.674,462 0.816,463 -0.163,464 -0.204,466 -0.419,467 -0.158,468 13.752,469 0.458,470 0.767,471 0.026,472 45.25,473 1.508,474 25,475 0.833,476 20.25,477 0.675,478 18.45,479 0.615,480 31.248,481 0.679,482 35.706,483 1.19,484 9.335,485 0.311,486 5.156,487 0.172,488 0.098,490 0.356,494 1,496 0.746,497 1.097,498 0.672,499 0.894,500 0.621,501 0.772,502 0.578,503 1.139,504 0.735,505 1.093,506 0.54,507 0.996,508 1.144,509 1.111,510 1.078,511 1.053,512 1.051,513 1.038,514 0.944,515 1.048,516 0.946,517 1.138,518 0.938,519 1.062,520 1.279,521 0.725,522 1.164,523 0.878,524 1.419,525 0.969,526 1.078,527 0.735,528 1.018,529 0.801,530 1.148,531 0.873,532 0.645,533 0.929,534 0.972,535 1.075,536 0.661,537 1.123,538 0.83,539 1.044,540 1.044,541 1.115,542 0.737,543 1.132,544 6.5,545 0.128,546 2.889,547 2.313,548 1.828,549 0.694,550 0.656,551 0.281,552 0.264,553 0.195,554 13774,555 46448,556 2.087,557 34.8,559 9,560 1,561 1,562 5,567 1.721,568 1.957,569 3.679,570 2.485,571 1,572 1,577 81.994,578 1.782,579 3.574,580 4.357,581 4.967,582 5.176,583 5.306,584 3.083,585 4.615,586 4.88,587 3.902,588 1697.25,589 8.471,590 25039.3,592 1,594 1,595 254.084,596 1.4,597 4.839,598 0.197,599 0.007,600 0.063,601 0.051,602 0.044,603 0.02,604 0.02,605 0.009,606 0.009,607 0.008,608 0.428,609 0.17,610 1,611 0.551,612 157.95,613 -0.111,614 -0.043,615 0.001,616 0.048,617 -0.108,618 0.065,619 0.134,620 -0.107,621 0.008,622 -0.136,623 0.071,624 -0.122,625 -0.204,626 -0.098,627 -0.175,628 -0.099,629 -0.152,630 -0.116,631 -0.002,632 -0.134,633 0.029,634 -0.179,635 0.011,636 -0.09,637 -0.102,638 0.151,639 -0.111,640 0.077,641 -0.108,642 0.001,643 -0.037,644 0.127,645 -0.016,646 0.184,647 -0.001,648 0.117,649 0.063,650 -0.021,651 -0.057,652 -0.048,653 -0.002,654 -0.088,655 -0.09,656 -0.164,657 -0.068,658 -0.115,659 -0.047,660 -0.089,661 2.187,662 5.589,663 0.7,664 32.8,665 1.028,666 1.137,667 2.506,668 6.278,669 0.689,670 3.526,671 3.85,672 4.094,673 4.369,674 4.522,675 4.511,676 4.575,677 4.691,678 4.663,679 4.762,680 8.03,681 0.687,682 405.43,683 3.526,684 5.069,685 5.911,686 6.788,687 7.643,688 8.523,689 9.386,690 10.268,691 11.135,692 12.018,693 15.2,697 1,700 3,701 1,703 2,706 1,708 1,709 11,710 2,714 6,716 22,723 1,727 1,734 1,735 46,737 24,738 2,739 33,741 49,742 20,743 18,744 4,745 8,746 1,748 4,749 5,753 1,762 20,767 2,772 2,776 2,780 1,781 1,783 16,784 9,785 5,786 10,792 7,797 0.75,798 2,811 1,815 1,816 3,819 1,843 3,849 1,851 30,852 1,860 3,873 1,874 4.3,877 2,881 15.333,882 8.076,883 6.528,884 2.41,886 4.014,887 1.521,888 1.03,889 5.5,890 11.718,891 3.85,892 4.48,893 5.059,894 5.674,895 6.15,896 6.329,897 6.629,898 7.018,899 7.055,900 7.388,901 0.889,902 45,903 11.047,905 4.803,906 8.117,907 20.118,909 16.135,911 2.617,912 78.5,915 1,916 129.482,917 136.982,918 121.542,920 50.29,921 14.96,923 136.982,924 179.772,925 136.502,927 54.032,928 127.231,929 100.214,930 30.359,931 35.479,932 105.94,934 129.482,935 258.524,936 65.25,939 144.442,940 50.29,943 63.815,944 161.26,945 33.449,947 144.442,948 171.832,949 136.982,952 129.482,953 34.029,954 104.116,955 54.032,956 131.596,957 129.482,958 186.792,959 136.982,961 0.583,962 0.334,963 0.186,964 0.097,965 22,966 10,967 0.082,968 4,969 1,970 1.095,971 4.266,972 257.998,973 0.095,974 21,975 143.207,981 19.67,982 8.389,983 4.525,984 0.419,985 185.628,986 16.597,987 7.907,991 1.435,993 86.929,994 453.256,995 46,1000 24.616,1004 -0.892,1007 47.298,1008 52.323,1009 0.323,1010 0.647,1011 0.789,1012 0.899,1013 0.937,1014 0.961,1015 5.072,1016 1.705,1017 5.894,1018 5.636,1019 4.533,1020 5.168,1021 2.084,1022 6.686,1023 4.462,1024 6.294,1025 1.425,1026 7.439,1027 4.602,1028 4.111,1029 4.987,1030 1.195,1031 7.538,1032 4.004,1033 7.603,1034 1.181,1035 9.08,1036 3.575,1037 6.107,1038 7.4,1039 2.617,1040 10.644,1041 5.968,1042 8.947,1043 1.016,1044 10.779,1045 2.593,1046 6.479,1047 8.044,1048 2.324,1049 12.38,1050 6.308,1051 10.32,1052 1,1053 12.519,1054 2.569,1055 7.956,1056 9.937,1057 3.348,1058 15.021,1059 7.757,1060 11.716,1061 0.707,1062 14.289,1063 2.275,1064 8.715,1065 11.006,1066 3.407,1067 17.163,1068 8.485,1069 13.132,1070 0.193,1071 16.083,1072 1.746,1073 9.98,1074 12.678,1075 4.204,1076 19.656,1077 9.723,1078 3.22,1079 -0.163,1080 17.898,1081 0.488,1082 10.935,1083 13.972,1084 4.464,1085 21.974,1086 10.649,1087 2.758,1088 11.41,1089 19.731,1090 -0.419,1091 12.116,1092 15.55,1093 5.132,1094 24.422,1095 11.804,1096 2.659,1097 7.934,1098 21.579,1099 4.613,1100 13.17,1101 16.96,1102 5.504,1103 26.811,1104 12.829,1105 2.469,1106 7.751,1107 23.44,1108 3.681,1109 14.323,1110 18.5,1111 6.1,1112 29.248,1113 13.955,1114 2.238,1115 7.244,1116 25.312,1117 3.642,1118 15.427,1119 19.969,1120 6.531,1121 31.664,1122 15.03,1123 2.022,1124 6.45,1125 27.193,1126 3.181,1127 16.574,1128 21.496,1129 7.087,1130 34.098,1131 16.15,1132 1.975,1133 5.677,1134 29.083,1135 2.911,1136 17.704,1137 22.993,1138 7.551,1139 36.525,1140 17.252,1141 12955,1142 23943,1143 22.076,1144 31.693,1145 49.805,1146 51.21,1147 50.902,1148 49.208,1149 49.136,1150 67.634,1151 5.923,1152 139.9,1153 47.395,1154 5.532,1155 5.621,1156 6.426,1157 5.26,1158 5.22,1159 7.613,1160 2.912,1161 18.549,1162 5.128,1163 14.592,1164 1.509,1165 1.552,1166 1.542,1167 1.491,1168 1.489,1169 2.05,1170 0.179,1171 4.239,1172 1.436,1173 4.119,1174 4.169,1175 4.096,1176 3.958,1177 8.201,1178 3.985,1179 3.944,1180 3.981,1181 3.894,1182 3.841,1183 7.432,1184 3.848,1185 3.88,1186 3.913,1187 3.826,1188 3.802,1189 7.428,1190 3.803,1191 3.479,1192 3.528,1193 3.439,1194 3.21,1195 5.248,1196 3.259,1197 3.379,1198 3.43,1199 3.328,1200 3.124,1201 4.82,1202 3.17,1203 3.195,1204 3.264,1205 3.12,1206 2.932,1207 4.765,1208 2.971,1209 2.979,1210 3.083,1211 2.881,1212 2.735,1213 4.659,1214 2.757,1215 2.902,1216 2.959,1217 2.824,1218 2.735,1219 4.342,1220 2.733,1221 0.141,1222 0.11,1223 0.208,1224 0.127,1225 0.098,1226 4.659,1227 0.14,1228 3.621,1229 0.05,1230 6.87,1231 0.346,1232 4.191,1233 0.095,1234 3.22,1235 4.613,1236 1.656,1237 11.41,1238 3.128,1239 1.907,1240 1.877,1241 2.007,1242 2.053,1243 1.086,1244 2.027,1245 1.871,1246 1.843,1247 1.975,1248 2.02,1249 1.044,1250 1.99,1251 1.793,1252 1.746,1253 1.837,1254 1.97,1255 0.911,1256 1.966,1257 1.549,1258 1.509,1259 1.669,1260 1.721,1261 0.702,1262 1.701,1263 1.277,1264 1.229,1265 1.406,1266 1.577,1267 0.357,1268 1.534,1269 1.067,1270 1.01,1271 1.245,1272 1.39,1273 0.226,1274 1.351,1275 0.886,1276 0.821,1277 1.181,1278 1.197,1279 0.218,1280 1.193,1281 0.875,1282 0.812,1283 1.144,1284 1.098,1285 0.129,1286 1.107,1287 4.205,1289 5.525,1290 2.398,1291 7.029,1292 4.727,1293 8.618,1294 6.862,1295 10.252,1299 13.182,1301 5.843,1305 7.918,1314 31.597,1315 81.994,1316 164.381,1317 200.435,1318 228.474,1319 238.084,1320 244.084,1321 59.439,1322 7.704,1323 126.44,1324 126.44,1325 23,1326 12.555,1327 4.644,1328 3.807,1329 47.482,1330 148,1331 126,1332 0.155,1333 194.666,1334 330.49,1335 466.744,1336 26908,1337 2.2,1338 21.087,1339 0.703,1340 0.515,1341 20.217,1342 15.464,1343 14.491,1344 0.439,1345 0.267,1346 8.655,1347 13.777,1348 8.548,1349 7.087,1350 14.097,1351 8.822,1352 13.301,1353 0.289,1354 0.137,1355 12.667,1356 6.289,1357 10.72,1358 0.182,1359 0.071,1360 10.399,1361 4.21,1362 9.334,1363 0.12,1364 0.037,1365 8.983,1366 2.857,1367 7.093,1368 0.078,1369 0.019,1370 6.964,1371 1.74,1372 0.254,1373 91.965,1374 0.213,1375 29.033,1376 0.401,1377 158,1378 576.828,1379 179.581,1380 535.103,1381 718.15,1382 496,1383 184,1384 528.843,1385 204.081,1386 526.694,1387 764.13,1388 495,1389 7.4}
{0 CHEMBL1990635,1 1.576,2 12.464,3 7,4 49.001,5 104.783,6 7.617,7 0.516,8 4.037,9 4.153,10 3.616,11 3.572,12 5.099,13 3.56,14 4.638,15 4.805,16 4.089,17 3.986,18 6.199,19 3.95,20 4.837,21 5.065,22 3.894,23 4.119,24 5.731,25 4.016,26 4.901,27 5.148,28 3.846,29 4.101,30 5.865,31 3.971,32 4.893,33 5.177,34 3.783,35 3.975,36 5.906,37 3.858,38 4.668,39 4.918,40 3.694,41 3.84,42 5.683,43 3.751,44 4.556,45 4.79,46 3.6,47 3.778,48 5.487,49 3.685,50 4.508,51 4.742,52 3.592,53 3.706,54 5.578,55 3.618,56 0.07,57 0.932,58 10.053,59 5.126,60 18.563,61 6.185,62 1.159,63 1.795,64 22.36,65 8.549,66 162.792,67 10.974,68 0.371,69 1.588,70 27.434,71 10.742,72 36.275,73 14.762,74 0.37,75 1.707,76 30.451,77 12.316,78 47.022,79 16.697,80 0.541,81 1.702,82 33.211,83 11.801,84 79.43,85 15.889,86 0.428,87 1.394,88 25.077,89 9.068,90 61.217,91 11.969,92 0.313,93 1.19,94 21.148,95 7.696,96 29.524,97 10.601,98 0.242,99 1.233,100 20.417,101 8.156,102 31.483,103 10.666,104 19,105 45,106 0.265,107 0.584,108 0.754,109 0.853,110 0.862,111 0.862,112 3.374,113 0.928,114 -4.91,115 -4.82,116 -4.52,119 43.1,120 1,121 3,125 2,127 1,133 1,142 8,143 3,144 1,152 2,172 11,175 6,180 4,183 15,188 2,193 2,196 16,200 2,203 1,205 1,208 15,213 2,218 1,221 8,225 4,230 5,233 6,238 4,243 2,246 5,250 2,258 8,264 2,267 1,272 6,276 1238,277 18.497,278 18.497,279 18.497,280 18.497,281 18.497,282 16.727,283 16.674,284 10.684,285 19.11,286 15.341,287 15.341,288 15.341,289 15.341,290 15.341,291 12.609,292 19.482,293 5.13,294 16.48,295 4.096,296 2.197,297 1.182,298 0.593,299 0.539,300 0.539,301 4.068,306 1,307 755,308 3.606,311 151.506,312 171.675,315 121.013,319 2.355,320 30.73,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 62.5,332 349,333 4.513,334 4.437,335 6.456,336 4.046,337 3.141,338 4.452,339 4.032,340 10.197,341 3.017,342 4.224,343 3.126,344 6.335,345 3.899,346 3.055,347 3.793,348 0.8,349 9.772,350 2.733,351 4.079,352 3.052,353 6.053,354 3.769,355 2.824,356 3.293,357 0.394,358 8.786,359 2.641,360 3.822,361 2.831,362 6.028,363 3.707,364 2.739,365 2.958,367 8.585,368 2.4,369 3.64,370 2.574,371 5.221,372 3.232,373 2.287,374 2.826,376 6.624,377 2.109,378 3.378,379 2.256,380 5.118,381 3.03,382 2.055,383 2.646,385 6.176,386 1.976,387 3.025,388 1.562,389 4.478,390 2.512,391 1.528,392 2.284,394 4.445,395 1.502,396 2.865,397 1.535,398 4.284,399 2.428,400 1.453,401 2.022,403 3.948,404 1.411,405 2.5,406 1.46,407 4.125,408 2.315,409 1.347,410 1.5,412 3.623,413 1.3,414 2.425,415 1.189,416 3.427,417 2.106,418 1.122,419 1.423,421 2.424,422 1.103,423 2.124,424 1,425 3.414,426 2,427 1,428 1.124,430 2.275,431 1,432 1.918,433 0.629,434 3.187,435 1.454,436 0.488,437 0.646,439 1.203,440 0.469,441 1.565,442 0.557,443 3.116,444 1.404,445 0.427,446 0.503,448 1.086,449 0.416,450 1.283,451 0.51,452 3.091,453 0.929,454 0.027,455 0.032,457 0.074,458 0.024,459 0.81,460 0.51,461 2.603,462 0.502,463 -0.471,464 -0.51,466 -1.155,467 -0.457,468 12.99,469 0.464,470 0.887,471 0.032,472 32.5,473 1.161,474 14.5,475 0.518,476 18,477 0.643,478 24.739,479 0.884,480 31.41,481 0.616,482 24.49,483 0.875,484 6.296,485 0.225,486 7.076,487 0.253,488 0.104,489 0.038,490 0.3,495 3,496 0.592,497 1.009,498 0.712,499 1.095,500 0.566,501 0.981,502 0.255,503 0.671,504 0.74,505 0.928,506 0.177,507 0.966,508 0.475,509 0.669,510 0.92,511 0.976,512 0.273,513 1.052,514 0.457,515 0.821,516 0.869,517 1.109,518 0.384,519 1.125,520 0.728,521 0.86,522 0.786,523 0.866,524 0.761,525 0.85,526 0.806,527 0.882,528 0.906,529 0.932,530 0.805,531 0.94,532 0.591,533 0.735,534 0.943,535 0.979,536 0.375,537 1.037,538 0.632,539 0.962,540 0.816,541 1.104,542 0.535,543 1.046,544 7.5,545 0.183,546 3.111,547 1.924,548 1.281,549 0.754,550 0.648,551 0.447,552 0.222,553 0.229,554 11075,555 31898,556 2.085,557 45.1,559 13,562 1,563 2,564 7,567 1.704,568 1.942,569 3.573,570 -0.358,577 80.389,578 1.576,579 3.475,580 4.491,581 5.079,582 5.133,583 5.133,584 3.03,585 4.057,586 4.773,587 3.82,588 1443.97,589 8.27,590 19938.6,595 289.294,596 1.572,597 4.728,598 0.242,599 0.01,600 0.069,601 0.049,602 0.037,603 0.023,604 0.021,605 0.016,606 0.008,607 0.01,608 0.485,609 0.5,610 1,611 0.916,612 143.511,613 -0.024,614 -0.064,615 0.042,616 -0.023,617 -0.077,618 0.019,619 0.625,620 0.334,621 0.144,622 0.08,623 0.614,624 -0.006,625 -0.028,626 0.023,627 -0.078,628 -0.014,629 0.036,630 -0.044,631 0.049,632 -0.105,633 0.011,634 -0.124,635 0.077,636 -0.087,637 0.011,638 -0.034,639 0.191,640 0.102,641 0.025,642 0.179,643 -0.052,644 -0.015,645 0.034,646 0.039,647 -0.056,648 0.061,649 -0.047,650 -0.027,651 -0.068,652 -0.042,653 0.002,654 -0.051,655 0.027,656 -0.162,657 0.091,658 -0.113,659 0.086,660 -0.023,661 5.922,662 4.296,663 0.714,664 33.974,665 1.013,666 1.141,667 3.683,668 13.563,669 0.655,670 3.466,671 3.829,672 4.025,673 4.29,674 4.443,675 4.543,676 4.754,677 4.942,678 4.97,679 5.106,680 7.544,681 0.632,682 388.47,683 3.466,684 5.03,685 5.866,686 6.756,687 7.606,688 8.495,689 9.353,690 10.241,691 11.106,692 11.993,693 3.9,696 1,701 1,708 2,709 8,711 1,714 4,716 16,733 1,735 51,737 16,738 2,739 31,741 54,742 22,743 14,744 5,745 7,748 4,749 5,754 1,757 3,760 4,762 14,763 8,781 3,783 23,784 5,785 1,786 6,792 2,797 0.75,798 1,811 1,812 1,815 2,816 2,819 1,839 1,843 3,847 1,849 3,851 28,858 5,861 1,863 1,864 1,865 1,873 3,874 2,879 1,881 14.417,882 9.295,883 5.875,884 3.249,886 3.113,887 1.401,888 1.005,889 5.287,890 10.876,891 3.689,892 4.301,893 4.849,894 5.467,895 6.005,896 6.38,897 6.894,898 7.377,899 7.636,900 8.054,901 1,902 39,903 10.88,905 5.063,906 8.003,907 19.789,909 16.717,911 2.503,912 70.083,916 258.964,917 125.356,918 19.91,920 11,921 44.88,923 125.356,924 269.964,925 64.79,926 8.825,927 11.815,928 75.81,930 89.978,931 4.901,932 258.964,933 9.817,934 258.964,935 145.266,936 55.88,939 176.567,940 93.398,941 44.88,942 9.817,943 40.55,944 94.898,947 303.845,948 30.91,949 125.356,952 268.782,953 30.903,954 87.759,955 16.786,956 55.88,957 258.964,958 75.79,959 125.356,961 0.596,962 0.318,963 0.167,964 0.083,965 23,966 10,967 0.093,968 5,969 1,970 1.1,971 4.088,972 237.815,973 0.1,974 20,975 125.851,981 19.198,982 7.71,983 4.662,984 2.183,985 59.005,986 14.195,988 3.476,991 2.812,993 16.786,994 460.11,995 39,1007 51.672,1008 58.208,1009 0.278,1010 0.613,1011 0.792,1012 0.895,1013 0.905,1014 0.905,1015 4.956,1016 1.453,1017 5.894,1018 4.445,1019 4.511,1020 4.987,1021 3.215,1022 6.713,1023 4.39,1024 6.176,1025 1.347,1026 7.462,1027 3.948,1028 4.29,1029 4.879,1030 4.049,1031 7.766,1032 3.979,1033 7.496,1034 1.122,1035 9.129,1036 3.623,1037 6.172,1038 7.189,1039 5.635,1040 10.712,1041 5.909,1042 8.846,1043 1,1044 10.851,1045 2.424,1046 6.711,1047 7.866,1048 6.953,1049 12.509,1050 6.266,1051 10.225,1052 0.488,1053 12.607,1054 2.275,1055 8.115,1056 9.707,1057 8.373,1058 15.014,1059 7.698,1060 11.623,1061 0.427,1062 14.385,1063 1.203,1064 8.972,1065 10.77,1066 9.758,1067 17.097,1068 8.412,1069 13.035,1070 0.027,1071 16.177,1072 1.086,1073 10.197,1074 12.41,1075 11.156,1076 19.456,1077 9.634,1078 3.141,1079 -0.471,1080 17.981,1081 0.074,1082 11.196,1083 13.679,1084 12.548,1085 21.657,1086 10.526,1087 3.055,1088 10.197,1089 19.792,1090 -1.155,1091 12.351,1092 15.227,1093 13.943,1094 23.967,1095 11.658,1096 2.824,1097 9.772,1098 21.61,1099 4.452,1100 13.413,1101 16.603,1102 15.337,1103 26.218,1104 12.639,1105 2.739,1106 8.786,1107 23.432,1108 3.793,1109 14.542,1110 18.111,1111 16.732,1112 28.514,1113 13.734,1114 2.287,1115 8.585,1116 25.258,1117 3.293,1118 15.633,1119 19.542,1120 18.126,1121 30.788,1122 14.762,1123 2.055,1124 6.624,1125 27.088,1126 2.958,1127 16.754,1128 21.035,1129 19.52,1130 33.081,1131 15.844,1132 1.528,1133 6.176,1134 28.919,1135 2.826,1136 17.86,1137 22.493,1138 20.915,1139 35.368,1140 16.897,1141 10529,1142 18368,1143 20.572,1144 33.415,1145 47.496,1146 46.828,1147 47.38,1148 47.314,1149 46.985,1150 59.001,1151 10.452,1152 138.434,1153 44.199,1154 5.462,1155 6.437,1156 5.988,1157 5.097,1158 5.141,1159 7.452,1160 5.542,1161 16.666,1162 5.017,1163 14.452,1164 1.532,1165 1.511,1166 1.528,1167 1.526,1168 1.516,1169 1.903,1170 0.337,1171 4.466,1172 1.426,1173 4.149,1174 4.182,1175 4.107,1176 4.075,1177 8.516,1178 4.079,1179 3.894,1180 3.947,1181 3.838,1182 3.805,1183 7.999,1184 3.807,1185 3.867,1186 3.903,1187 3.753,1188 3.722,1189 7.999,1190 3.719,1191 3.509,1192 3.551,1193 3.484,1194 3.383,1195 4.978,1196 3.378,1197 3.381,1198 3.421,1199 3.33,1200 3.053,1201 4.777,1202 3.088,1203 3.174,1204 3.273,1205 3.017,1206 2.988,1207 4.388,1208 2.969,1209 3.157,1210 3.232,1211 2.907,1212 2.918,1213 4.278,1214 2.954,1215 2.948,1216 3.008,1217 2.833,1218 2.799,1219 4.01,1220 2.816,1221 0.146,1222 0.143,1223 0.208,1224 0.131,1225 0.101,1226 4.513,1227 0.144,1228 4.437,1229 0.13,1230 6.456,1231 0.329,1232 4.046,1233 0.097,1234 3.141,1235 4.452,1236 4.032,1237 10.197,1238 3.017,1239 2.005,1240 1.987,1241 2.085,1242 2.07,1243 1.253,1244 2.075,1245 1.778,1246 1.756,1247 1.93,1248 1.925,1249 1.228,1250 1.928,1251 1.726,1252 1.665,1253 1.883,1254 1.88,1255 1.206,1256 1.88,1257 1.622,1258 1.558,1259 1.882,1260 1.789,1261 0.986,1262 1.826,1263 1.471,1264 1.399,1265 1.71,1266 1.682,1267 0.952,1268 1.693,1269 1.109,1270 1.092,1271 1.415,1272 1.526,1273 0.543,1274 1.393,1275 1.101,1276 1.023,1277 1.247,1278 1.341,1279 0.422,1280 1.367,1281 0.93,1282 0.888,1283 1.2,1284 1.155,1285 0.322,1286 1.163,1287 4.143,1289 5.493,1290 3.045,1291 7.004,1292 5.352,1293 8.586,1294 7.38,1295 10.207,1297 2.287,1299 36.888,1303 5.784,1306 3.934,1308 0.667,1309 2.529,1310 -4.672,1314 32.229,1315 80.389,1316 177.236,1317 229.029,1318 259.029,1319 261.784,1320 261.784,1321 46.899,1322 7.763,1323 28.26,1324 28.26,1325 22,1326 12.528,1327 4.087,1328 3.17,1329 42.756,1330 128,1331 106,1332 0.165,1333 192.916,1334 337.54,1335 462.475,1336 26410,1337 5.9,1338 19.725,1339 0.704,1340 0.561,1341 17.225,1342 15.721,1343 13.371,1344 0.431,1345 0.309,1346 9.441,1347 12.789,1348 9.265,1349 7.621,1350 12.225,1351 9.592,1352 13.222,1353 0.294,1354 0.165,1355 10.865,1356 7.446,1357 9.897,1358 0.18,1359 0.099,1360 9.573,1361 5.457,1362 8.409,1363 0.117,1364 0.055,1365 7.747,1366 3.945,1367 6.312,1368 0.075,1369 0.029,1370 5.818,1371 2.441,1372 0.266,1373 84.222,1374 0.22,1375 27.306,1376 0.432,1377 152,1378 570.047,1379 179.517,1380 470.901,1381 623.5,1382 438,1383 176,1384 446.991,1385 193.214,1386 433.814,1387 656.82,1388 407,1389 5.4}
{0 CHEMBL1990821,1 1.337,2 11.875,3 7.827,4 61.262,5 129.513,6 7.01,7 0.629,8 4.181,9 4.291,10 3.692,11 3.779,12 5.266,13 3.735,14 4.704,15 4.871,16 4.061,17 4.172,18 5.78,19 4.109,20 4.923,21 5.094,22 4.172,23 4.337,24 5.938,25 4.255,26 5.095,27 5.294,28 4.161,29 4.392,30 6.068,31 4.29,32 5.159,33 5.384,34 4.079,35 4.38,36 6.097,37 4.255,38 5.15,39 5.39,40 4.021,41 4.314,42 6.123,43 4.182,44 5.09,45 5.356,46 3.845,47 4.179,48 6.043,49 4.026,50 4.847,51 5.089,52 3.823,53 4.037,54 5.842,55 3.926,56 0.054,57 0.773,58 13.04,59 6.083,60 10.589,61 7.886,62 0.226,63 1.271,64 23.458,65 10.269,66 38.657,67 13.698,68 0.268,69 1.578,70 29.461,71 12.683,72 31.573,73 16.923,74 0.28,75 1.844,76 36.205,77 14.607,78 38.091,79 19.52,80 0.362,81 1.93,82 39.676,83 15.597,84 52.48,85 21.028,86 0.381,87 1.9,88 39.788,89 15.368,90 60.739,91 20.978,92 0.581,93 1.716,94 38.766,95 14.79,96 79.716,97 20.267,98 0.214,99 1.376,100 29.307,101 11.695,102 42.007,103 15.85,104 38,105 50,106 0.214,107 0.546,108 0.707,109 0.803,110 0.884,111 0.884,112 3.502,113 0.943,114 -6.19,115 -6.04,116 -5.61,119 45.9,120 4,121 2,125 1,142 9,143 8,144 1,152 2,158 1,167 1,170 1,172 22,175 3,178 1,180 3,181 1,183 27,184 1,188 5,191 1,192 1,193 5,196 25,197 2,200 6,205 6,208 21,209 3,213 4,218 6,221 21,222 3,225 4,226 1,228 1,230 4,233 20,234 2,237 1,238 4,241 1,243 2,246 15,247 3,250 5,255 5,258 12,259 3,264 5,269 6,272 11,273 3,276 1872,277 21.328,278 21.328,279 21.328,280 21.328,281 21.328,282 18.411,283 17.956,284 12.446,285 21.508,286 17.239,287 17.239,288 17.239,289 17.239,290 17.239,291 12.87,292 17.777,293 5.847,294 17.54,295 4.594,296 2.52,297 1.513,298 0.914,299 0.41,300 0.41,301 4.194,306 1,307 815,308 3.536,311 70.479,312 292.099,315 133.426,319 1.883,320 25.718,323 0.75,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.84,331 67.5,332 380,333 4.743,334 3.647,335 6.978,336 4.307,337 3.321,338 4.703,339 1.437,340 11.873,341 3.274,342 4.374,343 3.253,344 6.512,345 3.981,346 3,347 4.065,348 0.86,349 10.118,350 2.945,351 4.288,352 3.233,353 6.369,354 3.926,355 2.929,356 3.914,358 9.568,359 2.917,360 3.838,361 2.923,362 5.865,363 3.422,364 2.426,365 3.307,367 7.789,368 2.406,369 3.46,370 2.48,371 5.346,372 3.097,373 2.114,374 2.793,376 6.269,377 2.087,378 3.446,379 2.356,380 5.062,381 3.07,382 2.074,383 2.764,385 5.859,386 2.056,387 3.312,388 2.324,389 4.971,390 2.961,391 2.002,392 2.558,394 5.681,395 1.901,396 2.998,397 1.778,398 4.634,399 2.614,400 1.623,401 2.218,403 4.4,404 1.606,405 2.912,406 1.702,407 4.142,408 2.476,409 1.493,410 2.051,412 3.57,413 1.462,414 2.854,415 1.558,416 3.873,417 2.414,418 1.414,419 1.98,421 3.143,422 1.414,423 2.624,424 1.483,425 3.691,426 2.28,427 1.306,428 1.657,430 2.948,431 1.265,432 2.509,433 1.265,434 3.588,435 2.083,436 1.093,437 1.474,439 2.725,440 1.073,441 2.21,442 1.127,443 3.471,444 1.781,445 0.819,446 1.096,448 2.033,449 0.779,450 1.744,451 0.914,452 3.181,453 1.533,454 0.567,455 0.647,457 1.36,458 0.544,459 1.425,460 0.484,461 2.78,462 1.18,463 0.217,464 0.25,466 0.508,467 0.208,468 15.4,469 0.481,470 0.895,471 0.028,472 41,473 1.281,474 22,475 0.688,476 19,477 0.594,478 30.699,479 0.959,480 33.8,481 0.554,482 31.865,483 0.996,484 8.131,485 0.254,486 7.232,487 0.226,488 0.173,490 0.39,496 0.817,497 1.05,498 0.86,499 0.992,500 0.766,501 0.938,502 0.669,503 0.972,504 0.77,505 0.901,506 0.409,507 0.856,508 0.805,509 1.12,510 0.969,511 1.081,512 0.649,513 1.053,514 1.138,515 1.159,516 1.11,517 1.132,518 0.888,519 1.116,520 1.192,521 1.077,522 1.113,523 1.059,524 0.991,525 1.072,526 1.068,527 1.037,528 1.05,529 1.061,530 1.171,531 1.05,532 1,533 0.848,534 0.927,535 0.873,536 1.154,537 0.892,538 1,539 0.979,540 0.841,541 0.961,542 1.006,543 0.897,544 6,545 0.267,546 4.222,547 3.201,548 2.255,549 1.035,550 0.859,551 0.416,552 0.328,553 0.335,554 14010,555 32265,556 2.045,557 47.5,558 14,559 11,562 2,564 2,567 1.746,568 1.882,569 3.507,570 0.084,577 81.533,578 1.337,579 3.411,580 4.418,581 5.016,582 5.521,583 5.521,584 2.93,585 4.938,586 4.973,587 3.738,588 1854.03,589 8.702,590 27220.7,595 361.775,596 1.505,597 4.914,598 0.171,599 0.008,600 0.084,601 0.059,602 0.044,603 0.023,604 0.02,605 0.012,606 0.009,607 0.009,608 0.44,609 0.17,610 0.88,611 0.765,612 168.203,613 -0.042,614 0.041,615 0.032,616 0.049,617 -0.091,618 0.05,619 0.153,620 0.068,621 0.16,622 0.12,623 0.23,624 0.136,625 0.078,626 -0.081,627 -0.031,628 -0.072,629 0.022,630 -0.07,631 -0.089,632 -0.134,633 -0.138,634 -0.149,635 -0.068,636 -0.148,637 -0.112,638 -0.08,639 -0.123,640 -0.083,641 -0.075,642 -0.102,643 -0.004,644 -0.046,645 -0.051,646 -0.095,647 -0.029,648 -0.079,649 0.148,650 0.086,651 0.096,652 0.097,653 0.061,654 0.092,655 0.038,656 -0.022,657 0.157,658 0.022,659 0.106,660 0.091,661 2.599,662 5.017,663 0.656,664 33.375,665 0.991,666 1.114,667 4.964,668 24.641,669 0.673,670 3.584,671 3.932,672 4.234,673 4.522,674 4.745,675 4.82,676 4.913,677 5.043,678 5.088,679 5.159,680 7.284,681 0.632,682 427.58,683 3.584,684 5.142,685 6.009,686 6.905,687 7.794,688 8.696,689 9.594,690 10.501,691 11.403,692 12.313,693 1.6,701 1,708 2,709 9,711 1,714 9,716 22,725 1,733 1,735 61,737 23,738 3,739 35,741 64,742 28,743 20,744 9,745 9,746 1,748 4,749 5,754 4,760 2,762 21,763 7,767 1,772 1,776 1,783 29,784 3,785 2,786 4,792 1,797 0.75,798 3,811 1,815 1,816 3,819 1,841 1,843 3,847 4,851 32,857 1,858 3,861 1,874 4.9,876 1,877 1,879 1,881 17,882 12.283,883 7,884 3.751,886 4.202,887 1.529,888 0.981,889 6.384,890 12.153,891 3.871,892 4.535,893 5.175,894 5.812,895 6.374,896 6.709,897 7.098,898 7.531,899 7.785,900 8.11,901 0.875,902 54,903 11.863,905 5.02,906 7.672,907 22.89,909 18.878,911 2.172,912 69.5,916 317.82,917 166.175,918 16.786,920 78.828,923 166.175,924 396.648,925 16.786,926 35.301,927 9.661,928 85.286,929 68.738,930 57.901,931 4.901,932 317.82,934 317.82,935 182.96,936 78.828,939 294.278,940 102.37,943 61.748,944 121.212,947 317.82,948 95.614,949 166.175,952 317.82,953 45.588,954 120.587,955 16.786,956 78.828,957 317.82,958 95.614,959 166.175,961 0.587,962 0.352,963 0.196,964 0.107,965 24,966 12,967 0.109,968 7,969 1,970 1.095,971 4.2,972 296.161,973 0.095,974 21,975 158,981 22.166,982 9.216,983 4.472,984 1.839,985 78.828,986 18.433,988 3.2,991 8.842,993 59.469,994 579.608,995 47,1000 12.017,1004 -0.932,1007 60.454,1008 67.939,1009 0.225,1010 0.575,1011 0.745,1012 0.846,1013 0.931,1014 0.931,1015 5.115,1016 1.623,1017 6.014,1018 5.681,1019 4.615,1020 5.223,1021 1.888,1022 6.87,1023 4.583,1024 6.355,1025 1.493,1026 7.605,1027 4.4,1028 4.29,1029 5.165,1031 7.874,1032 4.254,1033 7.688,1034 1.414,1035 9.301,1036 3.57,1037 6.248,1038 7.517,1039 2.362,1040 11.018,1041 6.191,1042 9.06,1043 1.306,1044 11.057,1045 3.143,1046 6.746,1047 8.293,1049 12.864,1050 6.682,1051 10.467,1052 1.093,1053 12.853,1054 2.948,1055 8.198,1056 10.14,1057 2.965,1058 15.539,1059 8.118,1060 11.898,1061 0.819,1062 14.675,1063 2.725,1064 9.069,1065 11.306,1067 17.728,1068 8.977,1069 13.349,1070 0.567,1071 16.516,1072 2.033,1073 10.333,1074 12.954,1075 3.635,1076 20.247,1077 10.227,1078 3.321,1079 0.217,1080 18.372,1081 1.36,1082 11.37,1083 14.307,1085 22.582,1086 11.25,1087 3,1088 11.873,1089 20.239,1090 0.508,1091 12.565,1092 15.875,1093 4.335,1094 25.05,1095 12.432,1096 2.929,1097 10.118,1098 22.115,1099 4.703,1100 13.676,1101 17.319,1103 27.449,1104 13.528,1105 2.426,1106 9.568,1107 23.999,1108 4.065,1109 14.85,1110 18.857,1111 5.05,1112 29.904,1113 14.688,1114 2.114,1115 7.789,1116 25.888,1117 3.914,1118 15.994,1119 20.345,1121 32.335,1122 15.818,1123 2.074,1124 6.269,1125 27.783,1126 3.307,1127 17.164,1128 21.876,1129 5.77,1130 34.789,1131 16.974,1132 2.002,1133 5.859,1134 29.682,1135 2.793,1136 18.325,1137 23.387,1139 37.236,1140 18.119,1141 13461,1142 20603,1143 22.887,1144 41.029,1145 53.189,1146 54.249,1147 55.368,1148 52.764,1149 52.798,1150 70.953,1151 4.593,1152 155.685,1153 51.876,1154 5.651,1155 5.647,1156 6.663,1157 5.364,1158 5.321,1159 7.703,1160 2.873,1161 19.545,1162 5.274,1163 18.56,1164 1.52,1165 1.55,1166 1.582,1167 1.508,1168 1.509,1169 2.027,1170 0.131,1171 4.448,1172 1.482,1173 4.173,1174 4.199,1175 4.141,1176 4.104,1177 7.475,1178 4.109,1179 3.965,1180 3.988,1181 3.909,1182 3.904,1183 6.351,1184 3.902,1185 3.877,1186 3.907,1187 3.814,1188 3.818,1189 4.946,1190 3.814,1191 3.583,1192 3.636,1193 3.469,1194 3.466,1195 4.825,1196 3.457,1197 3.464,1198 3.491,1199 3.366,1200 3.27,1201 4.688,1202 3.286,1203 3.322,1204 3.4,1205 3.14,1206 3.191,1207 4.368,1208 3.169,1209 3.172,1210 3.257,1211 3.037,1212 3.026,1213 4.232,1214 3.004,1215 3.167,1216 3.245,1217 2.97,1218 2.989,1219 4.013,1220 2.978,1221 0.136,1222 0.104,1223 0.199,1224 0.123,1225 0.095,1226 4.743,1227 0.134,1228 3.647,1229 0.041,1230 6.978,1231 0.339,1232 4.307,1233 0.094,1234 3.321,1235 4.703,1236 1.437,1237 11.873,1238 3.274,1239 2.025,1240 2.006,1241 2.109,1242 2.085,1243 1.308,1244 2.094,1245 1.95,1246 1.929,1247 2.068,1248 2.038,1249 1.231,1250 2.048,1251 1.823,1252 1.797,1253 1.959,1254 1.907,1255 1.197,1256 1.925,1257 1.678,1258 1.638,1259 1.856,1260 1.851,1261 1.006,1262 1.848,1263 1.425,1264 1.383,1265 1.673,1266 1.666,1267 0.763,1268 1.648,1269 1.356,1270 1.284,1271 1.584,1272 1.548,1273 0.728,1274 1.595,1275 1.208,1276 1.128,1277 1.553,1278 1.419,1279 0.623,1280 1.47,1281 1.182,1282 1.103,1283 1.55,1284 1.418,1285 0.603,1286 1.469,1287 4.263,1289 5.602,1290 2.398,1291 7.138,1292 4.844,1293 8.77,1294 7.066,1295 10.453,1297 8.296,1302 9.852,1303 1.893,1306 6.06,1314 38.541,1315 81.533,1316 208.048,1317 269.471,1318 306.001,1319 336.755,1320 336.755,1321 59.228,1322 7.951,1323 62.32,1324 62.32,1325 23,1326 12.83,1327 4.585,1328 3.7,1329 51.878,1330 137,1331 126,1332 0.18,1333 236.364,1334 408.25,1335 568.488,1336 33538,1338 22.828,1339 0.713,1340 0.596,1341 22.828,1342 19.081,1343 15.363,1344 0.439,1345 0.314,1346 10.921,1347 15.032,1348 10.456,1349 8.763,1350 15.363,1351 11,1352 14.113,1353 0.282,1354 0.17,1355 14.113,1356 8.484,1357 11.886,1358 0.175,1359 0.091,1360 11.886,1361 6.183,1362 10.039,1363 0.11,1364 0.048,1365 10.039,1366 4.397,1367 8.103,1368 0.071,1369 0.026,1370 8.103,1371 3.014,1372 0.284,1373 94.65,1374 0.209,1375 29.871,1376 0.49,1377 170,1378 435.954,1379 180.025,1380 429.164,1381 595.07,1382 402,1383 203,1384 443.375,1385 212.752,1386 456.345,1387 668.95,1388 429,1389 5.1}
{0 CHEMBL1990884,1 1.651,2 11.759,3 4.399,4 19.354,5 109.399,6 8.134,7 0.688,8 3.99,9 4.105,10 3.618,11 3.554,12 5.233,13 3.556,14 4.459,15 4.601,16 4.021,17 3.94,18 5.727,19 3.929,20 4.675,21 4.823,22 4.104,23 4.058,24 5.949,25 4.039,26 4.816,27 5.009,28 4.06,29 4.048,30 6.086,31 4.012,32 4.787,33 4.999,34 3.921,35 3.946,36 6.066,37 3.893,38 4.686,39 4.933,40 3.774,41 3.793,42 5.886,43 3.738,44 4.411,45 4.618,46 3.663,47 3.632,48 5.705,49 3.605,50 4.365,51 4.567,52 3.637,53 3.559,54 5.828,55 3.532,56 0.1,57 0.772,58 8.295,59 4.046,60 15.125,61 4.7,62 0.271,63 1.187,64 14.927,65 7.108,66 32.547,67 8.758,68 0.319,69 1.496,70 19.018,71 8.378,72 40.041,73 9.888,74 0.498,75 1.618,76 25.262,77 9.608,78 72.193,79 11.662,80 0.657,81 1.57,82 25.446,83 8.629,84 82.585,85 10.774,86 0.54,87 1.409,88 25.817,89 8.697,90 73.311,91 11.164,92 0.355,93 1.182,94 17.577,95 6.565,96 53.592,97 7.674,98 0.464,99 1.138,100 16.742,101 6.175,102 83.513,103 7.402,104 38,105 47,106 0.276,107 0.628,108 0.745,109 0.843,110 0.88,111 0.887,112 3.408,113 0.84,114 -5.36,115 -5.25,116 -4.9,119 45.8,120 2,142 8,143 5,144 3,146 1,152 1,158 1,162 1,163 2,164 2,165 2,172 13,174 1,175 3,177 1,178 3,180 4,183 14,185 3,188 6,193 6,196 11,198 4,200 8,202 1,203 1,204 1,205 8,207 2,208 8,210 5,211 1,213 7,218 7,221 4,223 3,225 4,230 4,233 3,235 2,238 3,242 1,243 3,245 1,246 7,248 1,250 2,255 1,258 9,264 4,266 2,267 3,268 1,271 1,272 7,276 1251,277 19.102,278 19.102,279 19.102,280 19.102,281 19.102,282 16.233,283 20.28,284 10.877,285 19.259,286 15.762,287 15.762,288 15.762,289 15.762,290 15.762,291 11.441,292 25.585,293 5.138,294 16.069,295 3.934,296 1.831,297 1.131,298 0.547,299 0.323,300 0.281,301 4.099,305 1,306 1,307 738,308 3.082,311 65.079,312 278.506,315 126.895,319 1.938,320 37.169,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 63.5,332 341,333 4.582,334 3.547,335 6.7,336 4.141,337 3.151,338 4.542,339 0.98,340 10.726,341 3.123,342 4.508,343 3.248,344 6.535,345 4.101,346 3.117,347 4.214,348 0.4,349 10.323,350 3.066,351 4.207,352 3.148,353 6.132,354 3.806,355 2.837,356 3.823,358 8.931,359 2.748,360 3.829,361 2.919,362 5.901,363 3.489,364 2.499,365 3.23,367 8.08,368 2.459,369 3.686,370 2.534,371 5.305,372 3.271,373 2.297,374 3.105,376 6.712,377 2.236,378 3.421,379 2.264,380 5.029,381 3.02,382 2.032,383 2.78,385 5.857,386 2.001,387 3.222,388 2.17,389 4.909,390 2.797,391 1.815,392 2.466,394 5.391,395 1.779,396 3.107,397 2.002,398 4.804,399 2.667,400 1.685,401 2.317,403 4.814,404 1.642,405 2.861,406 1.643,407 4.149,408 2.403,409 1.414,410 2.015,412 3.626,413 1.397,414 2.811,415 1.467,416 3.956,417 2.348,418 1.391,419 1.937,421 3.171,422 1.318,423 2.61,424 1.351,425 3.738,426 2.109,427 1.097,428 1.592,430 2.792,431 1.104,432 2.195,433 0.906,434 3.652,435 1.751,436 0.775,437 1.074,439 2.162,440 0.755,441 1.571,442 0.575,443 3.062,444 1.238,445 0.297,446 0.364,448 0.752,449 0.277,450 1.197,451 0.307,452 2.73,453 0.858,454 -0.103,455 -0.125,457 -0.249,458 -0.098,459 1.109,460 0.014,461 2.648,462 0.705,463 -0.269,464 -0.357,466 -0.723,467 -0.258,468 13.552,469 0.467,470 0.929,471 0.032,472 41,473 1.414,474 22.5,475 0.776,476 18.5,477 0.638,478 21.839,479 0.753,480 30.248,481 0.63,482 32.644,483 1.126,484 8.336,485 0.287,486 5.493,487 0.189,488 0.178,490 0.443,494 1,496 0.77,497 0.936,498 0.732,499 0.864,500 0.722,501 0.789,502 0.534,503 0.93,504 0.604,505 0.92,506 0.489,507 0.818,508 0.984,509 1.193,510 0.96,511 1.171,512 0.935,513 1.089,514 1.146,515 1.159,516 1.048,517 1.096,518 0.956,519 1.064,520 1.112,521 1.056,522 1.19,523 1.073,524 1.135,525 1.119,526 1.178,527 0.983,528 0.913,529 0.825,530 1.004,531 0.812,532 1.423,533 1.266,534 1.051,535 0.991,536 1.591,537 0.944,538 1.209,539 1.306,540 1.016,541 1.081,542 1.227,543 1.02,544 7,545 0.18,546 3.778,547 2.944,548 1.996,549 1.119,550 0.734,551 0.47,552 0.326,553 0.166,554 11123,555 32402,556 2.049,557 39.6,558 6,559 8,562 5,567 1.716,568 1.871,569 3.499,570 2.425,572 1,577 79.26,578 1.651,579 3.754,580 4.454,581 5.038,582 5.262,583 5.304,584 2.945,585 4.349,586 4.832,587 3.7,588 1502.18,589 8.394,590 20463.7,592 1,594 1,595 268.078,596 1.528,597 4.765,598 0.219,599 0.009,600 0.08,601 0.06,602 0.044,603 0.03,604 0.022,605 0.016,606 0.012,607 0.008,608 0.5,610 1,611 0.805,612 148.086,613 -0.106,614 0.08,615 0.003,616 0.104,617 -0.146,618 0.095,619 0.195,620 0.034,621 0.21,622 0.079,623 0.128,624 0.126,625 -0.054,626 -0.161,627 -0.105,628 -0.191,629 -0.063,630 -0.171,631 -0.092,632 -0.163,633 -0.086,634 -0.129,635 -0.005,636 -0.116,637 -0.035,638 -0.036,639 -0.198,640 -0.139,641 -0.084,642 -0.185,643 -0.048,644 0.021,645 0.171,646 0.164,647 0.047,648 0.206,649 -0.152,650 -0.038,651 -0.034,652 0.004,653 -0.147,654 0.014,655 0.116,656 -0.057,657 0.011,658 -0.086,659 0.214,660 -0.066,661 2.301,662 6.747,663 0.724,664 28.014,665 1.013,666 1.127,667 4.134,668 17.088,669 0.687,670 3.497,671 3.871,672 4.159,673 4.443,674 4.635,675 4.718,676 4.844,677 4.977,678 4.997,679 5.106,680 7.024,681 0.669,682 390.45,683 3.497,684 5.069,685 5.938,686 6.838,687 7.721,688 8.622,689 9.51,690 10.411,691 11.301,692 12.202,693 8.3,697 1,700 1,701 1,703 1,708 2,709 8,710 1,712 1,714 9,716 22,722 1,727 1,728 1,734 1,735 48,737 23,738 3,739 32,741 51,742 22,743 19,744 10,745 8,746 1,748 4,749 5,754 2,762 20,763 2,767 1,772 1,776 1,780 1,781 1,783 19,784 7,785 5,786 7,792 4,797 0.75,798 2,802 1,815 1,816 3,819 1,843 3,847 2,849 1,851 29,852 2,860 1,873 1,874 4.2,877 1,879 1,881 15.5,882 9.26,883 6.194,884 2.657,886 4.314,887 1.55,888 1.034,889 4.826,890 12.16,891 3.807,892 4.503,893 5.137,894 5.773,895 6.311,896 6.642,897 7.061,898 7.49,899 7.742,900 8.14,901 0.875,902 49,903 10.724,905 4.706,906 7.983,907 19.842,909 16.316,911 2.483,912 72,915 1,916 164.795,917 140.299,918 100.591,920 34.652,921 14.96,923 140.299,924 199.448,925 115.551,926 17.65,927 32.897,928 108.707,929 46.635,930 64.816,931 19.796,932 164.795,934 164.795,935 240.89,936 49.612,939 179.756,940 34.652,943 75.294,944 148.81,945 16.786,947 179.756,948 135.243,949 140.299,952 164.795,953 46.839,954 93.46,955 18.011,956 132.192,957 164.795,958 150.203,959 140.299,961 0.599,962 0.355,963 0.193,964 0.099,965 24,966 12,967 0.078,968 4,969 1,970 1.095,971 3.979,972 260.022,973 0.095,974 21,975 140.881,981 19.124,982 7.318,983 3.602,984 1.365,985 150.203,986 13.38,987 4.381,989 5.729,991 3.392,993 83.805,994 455.297,995 44,1000 11.489,1004 -0.635,1007 48.643,1008 54.073,1009 0.296,1010 0.672,1011 0.798,1012 0.902,1013 0.942,1014 0.95,1015 5.059,1016 1.685,1017 5.958,1018 5.391,1019 4.554,1020 5.19,1021 1.176,1022 6.81,1023 4.515,1024 6.318,1025 1.414,1026 7.55,1027 4.814,1028 4.29,1029 5.165,1031 7.766,1032 4.23,1033 7.657,1034 1.391,1035 9.237,1036 3.626,1037 6.196,1038 7.495,1039 1.063,1040 10.873,1041 6.125,1042 9.032,1043 1.097,1044 10.977,1045 3.171,1046 6.698,1047 8.249,1049 12.616,1050 6.607,1051 10.433,1052 0.775,1053 12.751,1054 2.792,1055 8.123,1056 10.089,1057 1.022,1058 15.248,1059 8.022,1060 11.855,1061 0.297,1062 14.547,1063 2.162,1064 8.969,1065 11.216,1067 17.325,1068 8.85,1069 13.294,1070 -0.103,1071 16.361,1072 0.752,1073 10.209,1074 12.852,1075 0.993,1076 19.783,1077 10.081,1078 3.151,1079 -0.269,1080 18.187,1081 -0.249,1082 11.212,1083 14.163,1085 22.009,1086 11.068,1087 3.117,1088 10.726,1089 20.024,1090 -0.723,1091 12.381,1092 15.711,1093 0.967,1094 24.401,1095 12.227,1096 2.837,1097 10.323,1098 21.869,1099 4.542,1100 13.453,1101 17.113,1103 26.693,1104 13.286,1105 2.499,1106 8.931,1107 23.72,1108 4.214,1109 14.596,1110 18.625,1111 0.942,1112 29.06,1113 14.418,1114 2.297,1115 8.08,1116 25.577,1117 3.823,1118 15.701,1119 20.071,1121 31.384,1122 15.511,1123 2.032,1124 6.712,1125 27.438,1126 3.23,1127 16.836,1128 21.57,1129 0.917,1130 33.743,1131 16.635,1132 1.815,1133 5.857,1134 29.303,1135 3.105,1136 17.956,1137 23.04,1139 36.083,1140 17.744,1141 10619,1142 18281,1143 20.808,1144 32.961,1145 49.47,1146 50.149,1147 51.374,1148 48.85,1149 48.818,1150 66.918,1151 2.76,1152 146.676,1153 47.806,1154 5.363,1155 5.547,1156 6.211,1157 5.191,1158 5.151,1159 7.542,1160 1.96,1161 18.043,1162 5.123,1163 17.367,1164 1.546,1165 1.567,1166 1.605,1167 1.527,1168 1.526,1169 2.091,1170 0.086,1171 4.584,1172 1.494,1173 4.112,1174 4.13,1175 4.085,1176 4.003,1177 8.201,1178 4.016,1179 4.007,1180 4.027,1181 3.972,1182 3.942,1183 7.437,1184 3.947,1185 3.798,1186 3.828,1187 3.755,1188 3.71,1189 5.213,1190 3.715,1191 3.469,1192 3.512,1193 3.395,1194 3.268,1195 5.096,1196 3.297,1197 3.331,1198 3.382,1199 3.259,1200 3.113,1201 4.873,1202 3.125,1203 3.254,1204 3.337,1205 3.072,1206 3.082,1207 4.643,1208 3.085,1209 3.06,1210 3.156,1211 2.942,1212 2.894,1213 4.463,1214 2.898,1215 2.95,1216 3.046,1217 2.815,1218 2.733,1219 4.391,1220 2.734,1221 0.143,1222 0.111,1223 0.209,1224 0.129,1225 0.098,1226 4.582,1227 0.142,1228 3.547,1229 0.031,1230 6.7,1231 0.335,1232 4.141,1233 0.098,1234 3.151,1235 4.542,1236 0.98,1237 10.726,1238 3.123,1239 1.994,1240 1.975,1241 2.067,1242 2.073,1243 1.199,1244 2.071,1245 1.943,1246 1.924,1247 2.044,1248 2.03,1249 1.193,1250 2.034,1251 1.775,1252 1.749,1253 1.87,1254 1.902,1255 0.954,1256 1.89,1257 1.356,1258 1.31,1259 1.641,1260 1.612,1261 0.721,1262 1.592,1263 1.242,1264 1.187,1265 1.422,1266 1.521,1267 0.485,1268 1.505,1269 1.185,1270 1.127,1271 1.396,1272 1.457,1273 0.35,1274 1.449,1275 1.081,1276 1.022,1277 1.316,1278 1.324,1279 0.227,1280 1.344,1281 0.97,1282 0.9,1283 1.248,1284 1.314,1285 0.157,1286 1.313,1287 4.174,1289 5.533,1290 2.398,1291 7.079,1292 4.727,1293 8.714,1294 6.843,1295 10.393,1297 3.913,1299 14.747,1301 11.366,1305 2.873,1314 32.113,1315 79.26,1316 180.204,1317 213.814,1318 241.814,1319 252.568,1320 254.568,1321 58.788,1322 7.846,1323 107.17,1324 107.17,1325 23,1326 12.725,1327 4.585,1328 3.7,1329 44.94,1330 125,1331 106,1332 0.179,1333 196.395,1334 334.73,1335 470.963,1336 28491,1337 2.1,1338 20.706,1339 0.714,1340 0.549,1341 19.836,1342 15.915,1343 13.829,1344 0.432,1345 0.28,1346 8.845,1347 13.342,1348 8.575,1349 7.148,1350 13.419,1351 8.963,1352 13.223,1353 0.281,1354 0.147,1355 12.693,1356 6.9,1357 10.968,1358 0.174,1359 0.075,1360 10.503,1361 4.713,1362 9.565,1363 0.114,1364 0.04,1365 9.221,1366 3.361,1367 7.215,1368 0.071,1369 0.02,1370 6.912,1371 2.061,1372 0.284,1373 86.63,1374 0.219,1375 27.604,1376 0.482,1377 158,1378 516.185,1379 174.691,1380 480.577,1381 654.59,1382 446,1383 189,1384 490.003,1385 205.285,1386 493.108,1387 724.37,1388 463,1389 5.1}
{0 CHEMBL1990885,1 1.584,2 11.655,3 2.998,4 8.987,5 113.678,6 7.117,7 0.355,8 4.101,9 4.238,10 3.612,11 3.603,12 5.199,13 3.578,14 4.649,15 4.852,16 3.983,17 3.985,18 5.735,19 3.943,20 4.864,21 5.08,22 4.051,23 4.122,24 5.954,25 4.066,26 4.978,27 5.196,28 4.03,29 4.168,30 6.076,31 4.077,32 5.06,33 5.324,34 3.954,35 4.095,36 6.164,37 3.994,38 4.949,39 5.221,40 3.905,41 4.029,42 6.047,43 3.935,44 4.824,45 5.053,46 3.867,47 3.978,48 5.943,49 3.895,50 4.825,51 5.057,52 3.837,53 3.927,54 6.073,55 3.851,56 0.042,57 0.89,58 12.112,59 4.992,60 8.39,61 6.881,62 0.257,63 1.392,64 22.895,65 8.086,66 28.708,67 11.698,68 0.357,69 1.638,70 29.378,71 9.964,72 45.373,73 13.974,74 0.334,75 1.713,76 32.841,77 11.644,78 54.094,79 16.456,80 0.714,81 1.689,82 38.27,83 11.448,84 97.478,85 16.832,86 0.566,87 1.535,88 34.091,89 10.532,90 95.888,91 15.545,92 0.404,93 1.417,94 28.873,95 9.612,96 60.464,97 13.7,98 0.648,99 1.43,100 29.772,101 9.203,102 101.382,103 12.854,104 59,105 44,106 0.262,107 0.599,108 0.765,109 0.838,110 0.838,111 0.838,112 3.408,113 0.956,114 -3.6,115 -3.57,116 -3.41,119 39.3,120 4,125 4,135 1,136 1,142 3,143 3,144 2,152 2,158 2,172 6,175 4,178 2,180 8,183 7,188 3,191 1,193 6,196 8,200 4,203 1,204 1,205 3,208 8,212 1,213 4,216 1,217 1,218 5,221 5,225 4,230 4,233 4,238 6,241 1,243 3,246 6,249 1,250 2,253 2,254 1,255 1,258 5,264 2,269 3,272 5,276 1395,277 19.24,278 19.24,279 19.24,280 19.24,281 19.24,282 17.408,283 25.99,284 11.043,285 19.62,286 15.105,287 15.105,288 15.105,289 15.105,290 15.105,291 12.167,292 30.71,293 5.039,294 15.616,295 4.223,296 2.178,297 1.175,298 0.732,299 0.732,300 0.732,301 4.082,305 1,306 1,307 707,308 4.062,311 154.273,312 84.801,315 128.978,319 2.105,320 37.028,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 63.5,332 338,333 4.619,334 3.668,335 6.845,336 4.245,337 3.256,338 4.332,339 1.058,340 11.257,341 3.22,342 4.49,343 3.635,344 6.721,345 4.136,346 3.145,347 4.111,348 1.058,349 10.905,350 3.113,351 3.829,352 2.996,353 5.705,354 3.416,355 2.463,356 3.258,357 0.8,358 7.519,359 2.375,360 3.628,361 2.971,362 5.455,363 3.355,364 2.406,365 2.899,367 6.694,368 2.255,369 3.438,370 2.78,371 5.271,372 3.242,373 2.267,374 2.569,376 6.623,377 2.192,378 3.317,379 2.546,380 4.966,381 2.899,382 1.936,383 2.442,385 5.734,386 1.844,387 3.173,388 2.205,389 4.871,390 2.803,391 1.823,392 2.338,394 5.105,395 1.774,396 3.033,397 1.951,398 4.707,399 2.635,400 1.64,401 2.146,403 4.754,404 1.62,405 2.728,406 1.567,407 4.407,408 2.374,409 1.413,410 1.77,412 3.88,413 1.355,414 2.382,415 1.546,416 3.65,417 2.036,418 1.042,419 1.241,421 2.355,422 1.029,423 2.163,424 0.941,425 3.368,426 1.773,427 0.787,428 1.057,430 2.007,431 0.771,432 1.618,433 0.82,434 3.011,435 1.591,436 0.618,437 0.618,439 0.791,440 0.6,441 1.513,442 0.744,443 2.628,444 1.138,445 0.177,446 0.203,448 0.399,449 0.168,450 1.183,451 0.576,452 2.618,453 1.037,454 0.066,455 0.078,457 0.124,458 0.063,459 1.042,460 0.375,461 2.459,462 0.77,463 -0.24,464 -0.277,466 -0.524,467 -0.238,468 13.552,469 0.467,470 0.822,471 0.028,472 33.5,473 1.155,474 15,475 0.517,476 18.5,477 0.638,478 28.078,479 0.968,480 32.648,481 0.583,482 27.063,483 0.933,484 6.772,485 0.234,486 7.078,487 0.244,488 0.218,490 0.398,494 1,496 0.676,497 1.273,498 0.827,499 1.147,500 0.544,501 1.031,502 0.653,503 1.063,504 0.753,505 0.935,506 0.489,507 0.866,508 1.045,509 0.979,510 0.964,511 0.941,512 0.905,513 0.924,514 0.854,515 1.157,516 1.037,517 1.261,518 0.867,519 1.201,520 1.031,521 0.824,522 0.956,523 0.87,524 1.142,525 0.898,526 0.887,527 0.832,528 0.814,529 0.796,530 0.831,531 0.782,532 0.966,533 0.95,534 0.971,535 1.055,536 1.062,537 1.029,538 1.226,539 0.956,540 1.076,541 0.927,542 1.288,543 0.968,544 6.5,545 0.086,546 3.778,547 3.368,548 1.503,549 1.07,550 0.754,551 0.607,552 0.463,553 0.194,554 10261,555 26966,556 1.973,557 48.2,558 3,559 12,562 3,563 3,564 6,567 1.719,568 1.794,569 3.48,570 0.891,571 1,572 1,577 88.722,578 1.584,579 3.63,580 4.633,581 5.075,582 5.075,583 5.075,584 2.945,585 4.487,586 4.825,587 3.702,588 1503.13,589 8.406,590 20612.1,592 1,594 1,595 325.212,596 1.556,597 4.756,598 0.21,599 0.005,600 0.086,601 0.073,602 0.036,603 0.028,604 0.02,605 0.017,606 0.014,607 0.008,608 0.496,609 0.33,610 1,611 1.766,612 148.127,613 -0.05,614 -0.12,615 0.029,616 -0.024,617 -0.046,618 0.012,619 0.072,620 -0.021,621 0.162,622 0.094,623 0.093,624 0.138,625 -0.107,626 0.081,627 -0.009,628 0.066,629 -0.036,630 0.059,631 -0.003,632 -0.198,633 -0.098,634 -0.243,635 -0.002,636 -0.201,637 0.014,638 0.03,639 0.048,640 0.059,641 -0.045,642 0.055,643 0.053,644 0.076,645 0.178,646 0.156,647 0.098,648 0.193,649 -0.01,650 -0.052,651 -0.006,652 -0.067,653 -0.037,654 -0.046,655 0.004,656 0.02,657 -0.061,658 0.03,659 0.027,660 -0.021,661 2.071,662 5.703,663 0.483,664 30.19,665 1.003,666 1.138,667 2.373,668 5.63,669 0.643,670 3.466,671 3.807,672 4.094,673 4.357,674 4.489,675 4.564,676 4.718,677 4.852,678 4.844,679 4.875,680 7.02,681 0.611,682 398.53,683 3.466,684 5.017,685 5.878,686 6.77,687 7.651,688 8.551,689 9.443,690 10.348,691 11.247,692 12.154,693 7.1,696 1,700 2,701 1,709 3,711 1,714 7,716 11,723 1,734 1,735 56,737 14,738 1,739 31,741 58,742 22,743 10,744 3,745 3,746 4,748 3,749 4,754 4,762 14,763 8,767 3,772 2,774 1,776 3,780 1,781 1,783 27,784 6,785 3,786 7,792 4,797 0.667,798 2,811 1,815 2,816 1,819 1,829 1,834 1,835 1,839 1,843 2,847 4,849 1,851 29,858 4,860 2,864 1,873 1,874 3.6,877 2,881 16.167,882 11.26,883 6.528,884 3.655,886 2.844,887 1.383,888 0.973,889 6.557,890 10.273,891 3.701,892 4.287,893 4.865,894 5.431,895 5.869,896 6.183,897 6.595,898 7.004,899 7.275,900 7.594,901 0.875,902 46,903 10.811,905 4.602,906 7.92,907 20.383,909 16.46,911 2.42,912 70.167,915 1,916 282.506,917 121.171,918 55.931,920 50.29,921 14.96,923 121.171,924 332.796,925 70.891,926 35.301,927 44.444,928 37.905,929 59.699,930 44.53,931 20.474,932 282.506,934 282.506,935 177.103,936 65.25,939 226.84,940 120.916,943 99.655,944 67.972,945 9.476,947 297.467,948 106.221,949 121.171,952 282.506,953 47.966,954 76.33,955 52.807,956 65.25,957 282.506,958 121.181,959 121.171,961 0.584,962 0.356,963 0.187,964 0.091,965 20,966 11,967 0.121,968 7,969 1,970 1.143,971 3.936,972 249.067,973 0.143,974 14,975 136.881,981 21.284,982 8.934,983 4.439,985 104.396,986 4.197,988 3.187,991 3.428,993 52.807,994 524.859,995 39.5,1000 25.049,1002 1.676,1004 -0.06,1007 56.178,1008 63.734,1009 0.273,1010 0.625,1011 0.798,1012 0.874,1013 0.874,1014 0.874,1015 4.961,1016 1.64,1017 5.889,1018 5.105,1019 4.489,1020 4.973,1021 1.863,1022 6.739,1023 4.434,1024 6.182,1025 1.413,1026 7.482,1027 4.754,1028 4.205,1029 4.924,1030 0.325,1031 7.735,1032 4.139,1033 7.509,1034 1.042,1035 9.173,1036 3.88,1037 6.125,1038 7.166,1039 1.868,1040 10.853,1041 6.031,1042 8.873,1043 0.787,1044 10.921,1045 2.355,1046 6.648,1047 7.93,1048 0.268,1049 12.69,1050 6.556,1051 10.27,1052 0.618,1053 12.706,1054 2.007,1055 8.072,1056 9.691,1057 1.93,1058 15.345,1059 7.96,1060 11.691,1061 0.177,1062 14.518,1063 0.791,1064 8.958,1065 10.825,1066 0.188,1067 17.53,1068 8.85,1069 13.132,1070 0.066,1071 16.35,1072 0.399,1073 10.206,1074 12.403,1075 2.01,1076 20.027,1077 10.084,1078 3.256,1079 -0.24,1080 18.199,1081 0.124,1082 11.253,1083 13.707,1084 0.125,1085 22.35,1086 11.131,1087 3.145,1088 11.257,1089 20.061,1090 -0.524,1091 12.441,1092 15.209,1093 2.099,1094 24.79,1095 12.309,1096 2.463,1097 10.905,1098 21.933,1099 4.332,1100 13.556,1101 16.591,1102 0.082,1103 27.166,1104 13.42,1105 2.406,1106 7.519,1107 23.814,1108 4.111,1109 14.725,1110 18.063,1111 2.193,1112 29.586,1113 14.58,1114 2.267,1115 6.694,1116 25.702,1117 3.258,1118 15.869,1119 19.48,1120 0.054,1121 31.982,1122 15.718,1123 1.936,1124 6.623,1125 27.595,1126 2.899,1127 17.035,1128 20.939,1129 2.291,1130 34.395,1131 16.874,1132 1.823,1133 5.734,1134 29.493,1135 2.569,1136 18.192,1137 22.374,1138 0.035,1139 36.799,1140 18.022,1141 10241,1142 16865,1143 19.709,1144 36.006,1145 46.73,1146 48.507,1147 49.823,1148 46.081,1149 46.081,1150 58.126,1151 5.833,1152 136.296,1153 44.76,1154 5.545,1155 5.668,1156 6.463,1157 5.284,1158 5.256,1159 7.332,1160 2.117,1161 18.419,1162 5.22,1163 18.634,1164 1.507,1165 1.565,1166 1.607,1167 1.486,1168 1.486,1169 1.875,1170 0.188,1171 4.397,1172 1.444,1173 4.085,1174 4.115,1175 4.05,1176 3.991,1177 8.201,1178 4.001,1179 3.94,1180 3.971,1181 3.904,1182 3.839,1183 7.431,1184 3.85,1185 3.755,1186 3.837,1187 3.619,1188 3.55,1189 7.427,1190 3.555,1191 3.494,1192 3.548,1193 3.44,1194 3.343,1195 4.819,1196 3.357,1197 3.424,1198 3.476,1199 3.311,1200 3.205,1201 4.646,1202 3.21,1203 3.306,1204 3.407,1205 3.04,1206 3.123,1207 4.338,1208 3.089,1209 3.202,1210 3.297,1211 2.998,1212 3.023,1213 4.045,1214 3.002,1215 3.093,1216 3.147,1217 2.944,1218 2.856,1219 3.997,1220 2.88,1221 0.149,1222 0.118,1223 0.221,1224 0.137,1225 0.105,1226 4.619,1227 0.14,1228 3.668,1229 0.034,1230 6.845,1231 0.363,1232 4.245,1233 0.104,1234 3.256,1235 4.332,1236 1.058,1237 11.257,1238 3.22,1239 1.891,1240 1.872,1241 1.969,1242 1.971,1243 1.217,1244 1.971,1245 1.744,1246 1.705,1247 1.963,1248 1.96,1249 1.113,1250 1.965,1251 1.685,1252 1.627,1253 1.845,1254 1.84,1255 1.005,1256 1.836,1257 1.637,1258 1.585,1259 1.792,1260 1.83,1261 0.919,1262 1.823,1263 1.388,1264 1.31,1265 1.725,1266 1.634,1267 0.87,1268 1.657,1269 1.351,1270 1.291,1271 1.697,1272 1.584,1273 0.869,1274 1.638,1275 1.343,1276 1.256,1277 1.545,1278 1.575,1279 0.612,1280 1.558,1281 0.998,1282 0.935,1283 1.258,1284 1.282,1285 0.316,1286 1.283,1287 4.143,1289 5.476,1290 3.045,1291 6.993,1292 5.533,1293 8.595,1294 7.703,1295 10.247,1297 7.856,1299 13.65,1303 3.24,1305 5.705,1309 2.238,1314 34.22,1315 88.722,1316 203.264,1317 259.437,1318 284.192,1319 284.192,1320 284.192,1321 73.893,1322 7.428,1323 80.99,1324 80.99,1325 16,1326 12.673,1327 3.907,1328 3.248,1329 52.559,1330 121,1331 128,1332 0.213,1333 212.57,1334 376.81,1335 510.432,1336 16523,1337 1.8,1338 21.129,1339 0.729,1340 0.596,1341 20.259,1342 17.28,1343 13.85,1344 0.447,1345 0.319,1346 9.741,1347 13.278,1348 9.393,1349 7.849,1350 13.456,1351 9.879,1352 12.455,1353 0.283,1354 0.162,1355 11.821,1356 7.149,1357 10.606,1358 0.18,1359 0.091,1360 10.264,1361 5.365,1362 8.825,1363 0.115,1364 0.048,1365 8.613,1366 3.663,1367 6.317,1368 0.072,1369 0.023,1370 5.988,1371 2.045,1372 0.337,1373 87.002,1374 0.225,1375 27.641,1376 0.58,1377 150,1378 482.226,1379 166.169,1380 440.779,1381 591.42,1382 410,1383 178,1384 427.916,1385 193.084,1386 427.854,1387 628.8,1388 403,1389 7}
{0 CHEMBL1990904,1 1.563,2 9.889,3 3.744,4 14.015,5 100.737,6 8.192,7 0.71,8 3.926,9 4.047,10 3.589,11 3.49,12 5.071,13 3.494,14 4.418,15 4.588,16 3.908,17 3.834,18 5.565,19 3.817,20 4.61,21 4.831,22 3.939,23 3.903,24 5.707,25 3.871,26 4.574,27 4.792,28 3.906,29 3.88,30 5.656,31 3.853,32 4.537,33 4.729,34 3.962,35 3.928,36 5.62,37 3.903,38 4.627,39 4.823,40 3.974,41 3.98,42 5.795,43 3.94,44 4.653,45 4.876,46 3.816,47 3.909,48 5.711,49 3.831,50 4.556,51 4.817,52 3.586,53 3.669,54 5.638,55 3.581,56 0.045,57 0.796,58 7.338,59 3.536,60 6.791,61 4.341,62 0.214,63 1.245,64 14.061,65 5.787,66 20.743,67 7.326,68 0.344,69 1.424,70 20.538,71 7.306,72 37.423,73 9.562,74 0.329,75 1.361,76 19.401,77 6.484,78 35.409,79 8.475,80 0.243,81 1.327,82 16.98,83 6.342,84 20.138,85 8.373,86 0.365,87 1.468,88 18.675,89 6.864,90 36.235,91 8.946,92 0.286,93 1.433,94 20.97,95 7.969,96 28.201,97 10.758,98 0.386,99 1.276,100 21.354,101 7.099,102 43.076,103 9.739,104 2,105 44,106 0.266,107 0.632,108 0.803,109 0.851,110 0.851,111 0.851,112 3.341,113 0.864,114 -4.5,115 -4.43,116 -4.17,119 45.5,121 2,122 1,125 1,142 5,143 1,144 1,145 3,146 2,150 1,151 1,152 1,161 1,172 7,174 2,175 3,178 2,180 1,183 4,187 3,188 4,193 2,196 2,199 1,200 8,205 1,208 1,212 1,213 9,216 1,221 2,224 2,225 6,228 1,230 1,233 3,238 5,243 2,246 2,249 1,250 5,253 1,255 2,258 1,264 2,272 4,276 1223,277 18.809,278 18.809,279 18.809,280 18.809,281 18.809,282 16.278,283 9.533,284 11.109,285 19.271,286 15.352,287 15.352,288 15.352,289 15.352,290 15.352,291 11.567,292 13.162,293 5.33,294 16.159,295 3.896,296 1.74,297 0.736,298 0.455,299 0.455,300 0.455,301 4.048,304 1,305 1,306 1,307 602,308 2.55,309 45.6,311 52.977,312 214.699,315 103.744,319 1.383,320 24.116,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 58.5,332 267,333 4.728,334 3.321,335 7.018,336 4.27,337 3.319,338 4.662,339 0.4,340 12.053,341 3.16,342 4.058,343 2.909,344 5.992,345 3.683,346 2.712,347 3.699,349 8.436,350 2.655,351 4.047,352 2.785,353 5.789,354 3.613,355 2.639,356 3.664,358 8.022,359 2.562,360 3.684,361 2.597,362 5.509,363 3.522,364 2.577,365 3.074,367 7.412,368 2.416,369 3.617,370 2.487,371 5.262,372 3.193,373 2.256,374 2.78,376 6.566,377 2.099,378 3.431,379 2.208,380 5.03,381 3.037,382 2.099,383 2.63,385 6.003,386 1.956,387 3.018,388 1.575,389 4.574,390 2.47,391 1.528,392 2.27,394 4.394,395 1.438,396 2.979,397 1.546,398 4.411,399 2.465,400 1.521,401 2.192,403 3.983,404 1.43,405 2.702,406 1.264,407 3.609,408 2.16,409 1.232,410 1.796,412 2.86,413 1.139,414 2.603,415 1.173,416 3.54,417 2.066,418 1.125,419 1.652,421 2.644,422 1.054,423 2.5,424 1,425 3.414,426 2,427 1,428 1.5,430 2.275,431 1,432 1.99,433 0.965,434 3.36,435 1.755,436 0.811,437 0.88,439 1.896,440 0.763,441 1.913,442 0.519,443 3.28,444 1.441,445 0.506,446 0.741,448 1.33,449 0.472,450 1.182,451 0.329,452 2.701,453 0.777,454 -0.142,455 -0.18,457 -0.325,458 -0.127,459 0.966,460 -0.124,461 2.476,462 0.749,463 -0.209,464 -0.228,466 -0.512,467 -0.2,468 12.686,469 0.47,470 0.568,471 0.021,472 39.5,473 1.463,474 20.5,475 0.759,476 19,477 0.704,478 18.565,479 0.688,480 27.514,481 0.625,482 27.762,483 1.028,484 7.522,485 0.279,486 5.754,487 0.213,488 0.023,490 0.347,494 1,496 0.694,497 1.22,498 0.664,499 1.025,500 0.536,501 0.873,502 0.743,503 1.057,504 0.854,505 1.044,506 0.572,507 0.985,508 0.989,509 0.97,510 0.851,511 0.855,512 0.913,513 0.828,514 1.085,515 0.956,516 0.938,517 0.813,518 0.896,519 0.823,520 0.726,521 0.924,522 0.842,523 0.893,524 0.484,525 0.876,526 0.799,527 0.879,528 1.041,529 0.991,530 0.622,531 1.037,532 0.765,533 1.081,534 1.043,535 1.202,536 0.742,537 1.183,538 0.948,539 0.975,540 1.057,541 1.051,542 0.875,543 1.069,544 4.5,545 0.068,546 2.722,547 1.764,548 1.557,549 0.751,550 0.434,551 0.406,552 0.197,553 0.166,554 9073,555 23957,556 2.231,557 38.6,558 4,559 7,560 1,561 3,562 1,564 1,567 1.708,568 2.16,569 3.252,570 -0.309,572 1,577 68.78,578 1.563,579 3.72,580 4.724,581 5.005,582 5.005,583 5.005,584 2.689,585 4.533,586 4.72,587 3.41,588 1196.87,589 8.236,590 14931.1,592 1,594 1,595 240.215,596 1.125,597 4.716,598 0.145,599 0.005,600 0.066,601 0.042,602 0.038,603 0.017,604 0.01,605 0.012,606 0.008,607 0.008,608 0.351,609 0.17,610 0.88,611 0.352,612 131.652,613 -0.047,614 -0.211,615 0.06,616 -0.077,617 -0.01,618 -0.005,619 0.049,620 -0.07,621 -0.024,622 -0.117,623 0.074,624 -0.098,625 -0.023,626 0.011,627 0.111,628 0.103,630 0.127,631 -0.158,632 0.012,633 0.001,634 0.114,635 -0.101,636 0.101,637 -0.046,638 -0.021,639 0.016,640 0.029,641 -0.022,642 0.036,643 -0.009,644 0.068,645 -0.17,646 -0.076,647 0.003,648 -0.138,649 0.022,650 -0.184,651 -0.096,652 -0.224,653 -0.015,654 -0.194,655 0.059,656 -0.053,657 -0.003,658 -0.082,659 0.103,660 -0.061,661 1.945,662 5.374,663 0.889,664 24.255,665 1.01,666 1.132,667 3.272,668 10.704,669 0.694,670 3.466,671 3.807,672 4.078,673 4.394,674 4.691,675 4.828,676 5.004,677 5.187,678 5.257,679 5.283,680 5.87,681 0.674,682 360.43,683 3.466,684 5.017,685 5.889,686 6.783,687 7.676,688 8.581,689 9.484,690 10.395,691 11.304,692 12.218,693 13.6,698 1,701 1,703 4,708 1,709 9,710 4,714 6,716 22,728 1,734 1,735 44,737 22,738 1,739 31,741 48,742 20,743 16,744 2,745 4,748 5,749 6,757 2,758 1,760 2,762 16,763 4,764 1,780 1,781 1,783 17,784 6,785 1,786 7,789 1,792 6,797 0.8,806 1,810 1,813 1,815 1,816 3,819 1,843 4,849 1,851 27,858 3,860 1,863 1,873 1,881 12.5,882 7.976,883 5.806,884 2.722,886 4.301,887 1.553,888 1.055,889 3.972,890 12.08,891 3.761,892 4.41,893 5.047,894 5.722,895 6.353,896 6.768,897 7.29,898 7.812,899 8.176,900 8.518,901 0.857,902 42,903 9.963,905 4.363,906 7.722,907 19.104,909 16.211,911 2.222,912 60,915 1,916 188.338,917 114.937,918 86.439,921 14.96,923 114.937,924 188.338,925 101.399,927 7.175,928 56.429,929 122.181,930 46.249,931 31.387,932 141.253,934 188.338,935 201.376,936 14.96,939 191.527,940 11.771,943 44.731,944 71.492,945 85.153,947 203.298,948 86.439,949 114.937,952 188.338,953 31.366,954 84.857,955 18.011,956 82.102,957 188.338,958 101.399,959 114.937,961 0.583,962 0.324,963 0.181,964 0.108,965 24,966 9,967 0.104,968 5,969 1,970 1.083,971 3.988,972 246.551,973 0.083,974 24,975 122.382,981 16.194,982 6.622,983 3.353,984 0.706,985 100.113,986 15.177,987 17.874,991 3.459,993 18.011,994 404.674,995 42,1007 44.425,1008 49.821,1009 0.286,1010 0.681,1011 0.865,1012 0.917,1013 0.917,1014 0.917,1015 4.994,1016 1.521,1017 5.866,1018 4.394,1019 4.489,1020 5.097,1021 0.278,1022 6.696,1023 4.39,1024 6.217,1025 1.232,1026 7.43,1027 3.983,1028 4.111,1029 4.902,1031 7.673,1032 3.97,1033 7.533,1034 1.125,1035 9.095,1036 2.86,1037 6.107,1038 7.357,1039 0.05,1040 10.783,1041 5.92,1042 8.886,1043 1,1044 10.824,1045 2.644,1046 6.538,1047 8.016,1049 12.636,1050 6.31,1051 10.272,1052 0.811,1053 12.595,1054 2.275,1055 8.02,1056 9.937,1057 0.008,1058 15.306,1059 7.748,1060 11.684,1061 0.506,1062 14.396,1063 1.896,1064 8.834,1065 11.031,1067 17.536,1068 8.517,1069 13.118,1070 -0.142,1071 16.222,1072 1.33,1073 10.113,1074 12.72,1075 0.001,1076 20.074,1077 9.753,1078 3.319,1079 -0.209,1080 18.068,1081 -0.325,1082 11.117,1083 14.039,1085 22.462,1086 10.708,1087 2.712,1088 12.053,1089 19.93,1090 -0.512,1091 12.321,1092 15.629,1094 24.961,1095 11.866,1096 2.639,1097 8.436,1098 21.806,1099 4.662,1100 13.418,1101 17.061,1103 27.411,1104 12.913,1105 2.577,1106 8.022,1107 23.693,1108 3.699,1109 14.6,1110 18.611,1112 29.901,1113 14.046,1114 2.256,1115 7.412,1116 25.59,1117 3.664,1118 15.745,1119 20.097,1121 32.375,1122 15.139,1123 2.099,1124 6.566,1125 27.496,1126 3.074,1127 16.925,1128 21.635,1130 34.863,1131 16.269,1132 1.528,1133 6.003,1134 29.409,1135 2.78,1136 18.093,1137 23.147,1139 37.346,1140 17.385,1141 8299,1142 13660,1143 21.671,1144 30.54,1145 47.317,1146 47.272,1147 47.773,1148 46.688,1149 46.652,1150 63.079,1151 0.8,1152 135.747,1153 44.289,1154 5.665,1155 5.321,1156 6.699,1157 5.346,1158 5.319,1159 7.662,1160 0.8,1161 19.398,1162 5.16,1163 6.908,1164 1.526,1165 1.525,1166 1.541,1167 1.506,1168 1.505,1169 2.035,1170 0.026,1171 4.379,1172 1.429,1173 4.152,1174 4.199,1175 4.132,1176 4.006,1177 8.201,1178 4.031,1179 3.919,1180 3.977,1181 3.815,1182 3.805,1183 5.136,1184 3.795,1185 3.851,1186 3.883,1187 3.798,1188 3.754,1189 4.947,1190 3.761,1191 3.753,1192 3.81,1193 3.69,1194 3.583,1195 4.646,1196 3.607,1197 3.281,1198 3.341,1199 3.231,1200 3.115,1201 4.368,1202 3.135,1203 3.138,1204 3.228,1205 2.993,1206 2.912,1207 4.309,1208 2.921,1209 2.895,1210 2.965,1211 2.797,1212 2.75,1213 3.948,1214 2.748,1215 2.854,1216 2.925,1217 2.763,1218 2.735,1219 3.931,1220 2.715,1221 0.153,1222 0.107,1223 0.226,1224 0.138,1225 0.107,1226 4.728,1227 0.15,1228 3.321,1229 0.013,1230 7.018,1231 0.389,1232 4.27,1233 0.102,1234 3.319,1235 4.662,1236 0.4,1237 12.053,1238 3.16,1239 1.925,1240 1.898,1241 2.004,1242 2.074,1243 1.119,1244 2.046,1245 1.85,1246 1.805,1247 1.931,1248 1.987,1249 1.075,1250 1.982,1251 1.714,1252 1.662,1253 1.82,1254 1.915,1255 0.984,1256 1.892,1257 1.454,1258 1.389,1259 1.684,1260 1.648,1261 0.825,1262 1.664,1263 1.256,1264 1.215,1265 1.513,1266 1.426,1267 0.768,1268 1.429,1269 1.153,1270 1.064,1271 1.338,1272 1.376,1273 0.413,1274 1.402,1275 0.886,1276 0.825,1277 1.181,1278 1.11,1279 0.321,1280 1.123,1281 0.884,1282 0.821,1283 1.138,1284 1.07,1285 0.218,1286 1.107,1287 4.143,1288 1.946,1289 5.476,1290 3.932,1291 7.009,1292 5.861,1293 8.63,1294 7.769,1295 10.298,1299 13.374,1303 3.425,1305 3.31,1308 0.73,1314 29.673,1315 68.78,1316 163.67,1317 207.85,1318 220.215,1319 220.215,1320 220.215,1321 35.32,1322 7.779,1323 68,1324 68,1325 26,1326 12.732,1327 4.524,1328 3.585,1329 35.488,1330 89,1331 108,1332 0.186,1333 178.34,1334 294.83,1335 426.91,1336 25576,1337 2.3,1338 18.217,1339 0.675,1340 0.537,1341 17.347,1342 14.509,1343 13.276,1344 0.428,1345 0.288,1346 8.798,1347 12.739,1348 8.678,1349 7.147,1350 12.882,1351 8.931,1352 12.019,1353 0.273,1354 0.153,1355 11.397,1356 6.71,1357 9.957,1358 0.172,1359 0.076,1360 9.546,1361 4.403,1362 8.484,1363 0.106,1364 0.037,1365 8.333,1366 2.976,1367 7.38,1368 0.068,1369 0.019,1370 7.151,1371 2.051,1372 0.284,1373 83.284,1374 0.215,1375 25.592,1376 0.537,1377 150,1378 462.67,1379 165.737,1380 428.961,1381 597.55,1382 404,1383 180,1384 455.108,1385 196.204,1386 454.294,1387 670.97,1388 430,1389 5.1}
{0 CHEMBL1990912,1 1.49,2 9.1,3 1.764,4 3.112,5 80.13,6 7.581,7 0.773,8 3.66,9 3.777,10 3.244,11 3.241,12 4.814,13 3.222,14 4.129,15 4.288,16 3.534,17 3.605,18 5.226,19 3.56,20 4.354,21 4.564,22 3.557,23 3.715,24 5.381,25 3.633,26 4.319,27 4.543,28 3.403,29 3.627,30 5.294,31 3.522,32 4.251,33 4.49,34 3.324,35 3.522,36 5.251,37 3.419,38 4.115,39 4.336,40 3.192,41 3.402,42 5.104,43 3.299,44 4.031,45 4.265,46 3.056,47 3.25,48 5.023,49 3.143,50 3.894,51 4.148,52 2.838,53 3.014,54 4.913,55 2.904,56 0.032,57 0.509,58 6.782,59 2.996,60 8.549,61 3.833,62 0.12,63 0.802,64 11.854,65 4.786,66 16.579,67 6.263,68 0.185,69 0.956,70 16.281,71 6.276,72 24.592,73 8.643,74 0.114,75 0.913,76 15.908,77 6.157,78 20.869,79 8.58,80 0.167,81 0.841,82 15.349,83 5.688,84 24.5,85 8.065,86 0.083,87 0.721,88 13.041,89 5.169,90 16.469,91 7.105,92 0.078,93 0.655,94 12.297,95 4.679,96 16.46,97 6.509,98 0.152,99 0.577,100 11.177,101 3.801,102 19.316,103 5.308,104 5,105 29,106 0.271,107 0.606,108 0.795,109 0.9,110 0.911,111 0.911,112 3.058,113 0.889,114 -3.14,115 -3.13,116 -3.01,119 45.7,125 2,142 6,143 4,145 3,147 1,172 10,175 4,178 1,180 1,183 12,188 4,192 1,193 1,196 10,200 4,205 2,208 7,213 3,216 1,218 3,221 4,225 3,230 3,233 2,238 1,243 3,249 1,250 1,253 1,255 3,269 2,276 484,277 14.008,278 14.008,279 14.008,280 14.008,281 14.008,282 12.08,283 7.215,284 8.676,285 14.24,286 10.874,287 10.874,288 10.874,289 10.874,290 10.874,291 8.012,292 11.409,293 4.121,294 11.247,295 3.639,296 1.794,297 0.75,298 0.171,299 0.114,300 0.114,301 3.746,304 1,305 1,306 1,307 390,308 2.345,312 153.96,316 80.765,319 1.42,320 12.32,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 42.5,332 182,333 4.473,334 3.031,335 6.303,336 4.012,337 3.019,338 4.396,339 0.4,340 9.637,341 3.001,342 4.095,343 2.737,344 6.011,345 3.69,346 2.705,347 3.695,349 8.632,350 2.666,351 3.633,352 2.413,353 5.256,354 3.224,355 2.277,356 3.049,358 6.667,359 2.15,360 3.289,361 1.827,362 4.533,363 2.786,364 1.813,365 2.657,367 4.681,368 1.763,369 3.064,370 1.74,371 4.339,372 2.563,373 1.578,374 2.338,376 4.178,377 1.552,378 2.665,379 1.568,380 3.519,381 2.347,382 1.417,383 1.741,385 2.752,386 1.311,387 2.5,388 1.177,389 3.453,390 2.142,391 1.163,392 1.5,394 2.611,395 1.136,396 2.481,397 1,398 3.264,399 1.956,400 1,401 1.479,403 2.136,404 0.953,405 2.204,406 0.878,407 3.247,408 1.703,409 0.744,410 1.074,412 1.744,413 0.711,414 1.435,415 0.641,416 2.627,417 1.186,418 0.289,419 0.319,421 0.489,422 0.257,423 1.085,424 -0.228,425 2.551,426 0.638,427 -0.332,428 -0.448,430 -0.755,431 -0.319,432 0.918,433 -0.38,434 2.263,435 0.498,436 -0.452,437 -0.595,439 -1.116,440 -0.429,441 0.656,442 -0.807,443 2.122,444 0.15,445 -0.817,446 -1.173,448 -1.939,449 -0.786,450 0.5,451 -0.864,452 1.803,453 -0.026,454 -1,455 -1.236,457 -2.152,458 -0.954,459 0.417,460 -1,461 1.555,462 -0.036,463 -1,464 -1.5,466 -2.347,467 -0.974,468 9.533,469 0.477,470 0.307,471 0.015,472 29.25,473 1.463,474 16.5,475 0.825,476 12.75,477 0.638,478 11.502,479 0.575,480 20.467,481 0.585,482 18.484,483 0.924,484 5.939,485 0.297,486 3.926,487 0.196,488 0.035,490 0.262,496 0.981,497 1.165,498 0.797,499 0.936,500 0.971,501 0.86,502 1.051,503 0.985,504 0.979,505 0.921,506 0.987,507 0.936,508 0.836,509 0.946,510 0.955,511 0.908,512 0.793,513 0.938,514 0.804,515 1.079,516 1.034,517 1.066,518 0.737,519 1.073,520 0.712,521 0.928,522 0.943,523 0.943,524 0.615,525 0.959,526 0.865,527 1.098,528 1.005,529 1.12,530 0.884,531 1.09,532 0.905,533 1.19,534 0.988,535 1.152,536 0.899,537 1.096,538 1.087,539 0.926,540 1.081,541 1.031,542 1.075,543 1.049,544 3,545 0.021,546 1.778,547 0.688,548 0.818,549 0.507,550 0.304,551 0.186,552 0.086,553 0.041,554 3870,555 10536,556 2.138,557 42.9,559 10,561 3,562 2,567 1.617,568 2.069,569 3.194,570 0.311,572 1,574 1,577 52.167,578 1.49,579 3.335,580 4.379,581 4.958,582 5.015,583 5.015,584 2.709,585 3.784,586 4.288,587 3.275,588 622.161,589 7.325,590 6313.91,591 1,592 1,594 1,595 179.525,596 1.076,597 4.283,598 0.136,599 0.004,600 0.061,601 0.024,602 0.034,603 0.023,604 0.016,605 0.012,606 0.007,607 0.005,608 0.323,609 0.67,610 1,611 1.08,612 88.671,613 -0.107,614 -0.069,615 0.022,616 0.039,617 -0.134,618 0.043,619 -0.124,620 0.095,621 -0.108,622 0.036,623 -0.141,624 -0.024,625 -0.009,626 0.061,627 -0.027,628 0.066,629 -0.034,630 0.025,631 -0.078,632 -0.094,633 -0.098,634 -0.09,635 -0.081,636 -0.095,637 0.071,638 0.053,639 0.022,640 0.028,641 0.093,642 0.024,643 -0.035,644 -0.151,645 -0.056,646 -0.129,647 -0.029,648 -0.101,649 -0.004,650 -0.256,651 -0.01,652 -0.171,653 0.024,654 -0.106,655 0.061,656 0.052,657 -0.054,658 -0.097,659 0.013,660 -0.094,661 1.407,662 2.836,663 0.8,664 15.64,665 0.998,666 1.12,667 1.906,668 3.633,669 0.687,670 3.135,671 3.401,672 3.664,673 3.912,674 4.19,675 4.22,676 4.357,677 4.454,678 4.533,679 4.419,680 5.244,681 0.655,682 265.34,683 3.135,684 4.635,685 5.468,686 6.323,687 7.179,688 8.044,689 8.909,690 9.78,691 10.65,692 11.524,693 8.6,698 1,703 2,708 2,709 9,710 2,714 3,716 17,728 1,735 35,737 17,738 1,739 22,741 37,742 16,743 14,744 3,745 3,748 3,749 4,754 1,762 14,763 2,779 1,780 1,783 15,784 4,785 2,786 4,792 3,797 0.667,798 1,799 1,809 2,816 3,820 1,841 1,843 2,851 20,857 1,858 2,860 1,874 2.9,875 1,881 9.667,882 6.1,883 4.556,884 1.996,886 3.33,887 1.493,888 0.981,889 3.682,890 10.092,891 3.45,892 4.06,893 4.696,894 5.324,895 5.974,896 6.291,897 6.776,898 7.225,899 7.658,900 7.804,901 1,902 29,903 7.328,905 3.03,906 7.692,907 14.065,909 11.308,911 2.192,912 43.833,913 0.001,916 153.024,917 99.95,918 51.582,920 42.683,923 99.95,924 195.708,925 51.582,927 2.106,928 99.541,929 86.895,930 38.659,931 2.328,932 117.711,934 153.024,935 151.532,936 42.683,939 153.024,941 42.683,943 29.248,944 70.702,945 51.582,947 153.024,948 94.265,949 99.95,952 153.024,953 15.951,954 84,955 18.011,956 76.254,957 153.024,958 94.265,959 99.95,961 0.558,962 0.322,963 0.178,964 0.106,965 14,966 5,967 0.108,968 4,969 1,970 1.125,971 3.344,972 147.515,973 0.125,974 16,975 86.439,981 12.733,982 5.783,983 2.849,984 2.203,985 94.265,986 17.673,987 8.459,991 2.996,993 60.694,994 347.24,995 30.5,1007 34.934,1008 39.196,1009 0.291,1010 0.65,1011 0.854,1012 0.967,1013 0.978,1014 0.978,1015 4.627,1016 1,1017 5.407,1018 2.611,1019 4.078,1020 4.745,1021 0.278,1022 6.163,1023 4.023,1024 5.818,1025 0.744,1026 6.921,1027 2.136,1028 3.434,1029 4.407,1031 6.934,1032 3.397,1033 7.107,1034 0.289,1035 8.538,1036 1.744,1037 5.602,1038 6.993,1039 0.05,1040 10.034,1041 5.518,1042 8.437,1043 -0.332,1044 10.218,1045 0.489,1046 5.832,1047 7.539,1049 11.658,1050 5.773,1051 9.802,1052 -0.452,1053 11.939,1054 -0.755,1055 7.408,1056 9.535,1057 0.008,1058 14.227,1059 7.311,1060 11.193,1061 -0.817,1062 13.688,1063 -1.116,1064 8.069,1065 10.524,1067 16.197,1068 7.994,1069 12.602,1070 -1,1071 15.456,1072 -1.939,1073 9.374,1074 12.245,1075 0.001,1076 18.571,1077 9.273,1078 3.019,1079 -1,1080 17.237,1081 -2.152,1082 10.252,1083 13.468,1085 20.692,1086 10.165,1087 2.705,1088 9.637,1089 19.028,1090 -2.347,1091 11.434,1092 15.056,1094 22.989,1095 11.33,1096 2.277,1097 8.632,1098 20.826,1099 4.396,1100 12.42,1101 16.403,1103 25.178,1104 12.322,1105 1.813,1106 6.667,1107 22.63,1108 3.695,1109 13.546,1110 17.927,1112 27.445,1113 13.438,1114 1.578,1115 4.681,1116 24.438,1117 3.049,1118 14.585,1119 19.338,1121 29.666,1122 14.479,1123 1.417,1124 4.178,1125 26.25,1126 2.657,1127 15.69,1128 20.834,1130 31.922,1131 15.576,1132 1.163,1133 2.752,1134 28.065,1135 2.338,1136 16.756,1137 22.276,1139 34.159,1140 16.64,1141 3780,1142 6300,1143 15.197,1144 24.04,1145 31.95,1146 32.514,1147 32.393,1148 31.946,1149 32.009,1150 44.495,1151 0.8,1152 87.053,1153 31.002,1154 5.256,1155 5.031,1156 6.166,1157 5.053,1158 5.019,1159 7.396,1160 0.8,1161 16.092,1162 5.001,1163 5.858,1164 1.452,1165 1.478,1166 1.472,1167 1.452,1168 1.455,1169 2.022,1170 0.036,1171 3.957,1172 1.409,1173 4.097,1174 4.123,1175 4.058,1176 4.042,1177 6.456,1178 4.043,1179 3.824,1180 3.867,1181 3.768,1182 3.721,1183 5.005,1184 3.727,1185 3.585,1186 3.651,1187 3.463,1188 3.384,1189 4.869,1190 3.394,1191 3.33,1192 3.382,1193 3.22,1194 3.175,1195 4.431,1196 3.176,1197 3.044,1198 3.096,1199 2.937,1200 2.949,1201 4.014,1202 2.939,1203 2.833,1204 2.903,1205 2.71,1206 2.665,1207 3.811,1208 2.665,1209 2.77,1210 2.854,1211 2.621,1212 2.537,1213 3.797,1214 2.549,1215 2.686,1216 2.768,1217 2.535,1218 2.468,1219 3.621,1220 2.472,1221 0.203,1222 0.138,1223 0.287,1224 0.182,1225 0.137,1226 4.473,1227 0.2,1228 3.031,1229 0.018,1230 6.303,1231 0.438,1232 4.012,1233 0.136,1234 3.019,1235 4.396,1236 0.4,1237 9.637,1238 3.001,1239 2.068,1240 2.047,1241 2.139,1242 2.141,1243 1.275,1244 2.142,1245 1.796,1246 1.76,1247 1.908,1248 1.928,1249 1.012,1250 1.925,1251 1.533,1252 1.467,1253 1.776,1254 1.774,1255 0.928,1256 1.779,1257 1.301,1258 1.252,1259 1.48,1260 1.485,1261 0.538,1262 1.485,1263 1.053,1264 1.007,1265 1.261,1266 1.2,1267 0.341,1268 1.222,1269 0.806,1270 0.742,1271 1.082,1272 1.08,1273 0.144,1274 1.083,1275 0.721,1276 0.64,1277 1.056,1278 0.996,1279 0.096,1280 1.022,1281 0.653,1282 0.569,1283 0.948,1284 0.899,1286 0.921,1287 3.807,1289 5.081,1291 6.575,1293 8.169,1295 9.814,1302 8.836,1303 0.593,1305 3.072,1314 22.94,1315 52.167,1316 116.731,1317 153.26,1318 173.525,1319 175.525,1320 175.525,1321 22.447,1322 6.762,1323 58.04,1324 58.04,1325 18,1326 12.066,1327 4.17,1328 3.248,1329 29.989,1330 62,1331 72,1332 0.242,1333 143.028,1334 236.25,1335 340.748,1336 6932,1338 13.786,1339 0.689,1340 0.548,1341 13.786,1342 10.952,1343 9.865,1344 0.448,1345 0.296,1346 6.441,1347 9.564,1348 6.314,1349 5.243,1350 9.865,1351 6.516,1352 8.313,1353 0.287,1354 0.156,1355 8.313,1356 4.524,1357 7.045,1358 0.185,1359 0.082,1360 7.045,1361 3.135,1362 5.816,1363 0.119,1364 0.044,1365 5.816,1366 2.135,1367 5.014,1368 0.077,1369 0.023,1370 5.014,1371 1.497,1372 0.374,1373 61.302,1374 0.257,1375 19.969,1376 0.676,1377 102,1378 277.773,1379 108.324,1380 275.311,1381 380.91,1382 260,1383 118,1384 277.783,1385 124.048,1386 286.217,1387 413.88,1388 270,1389 5.1}
{0 CHEMBL1991063,1 1.644,2 12.69,3 4.541,4 20.621,5 116.704,6 8.722,7 0.688,8 4,9 4.112,10 3.701,11 3.613,12 5.139,13 3.585,14 4.501,15 4.647,16 4.088,17 4.01,18 5.587,19 3.962,20 4.745,21 4.917,22 4.237,23 4.143,24 5.86,25 4.052,26 4.813,27 5.043,28 3.941,29 4.062,30 5.762,31 3.942,32 4.692,33 4.914,34 3.852,35 3.964,36 5.672,37 3.855,38 4.679,39 4.894,40 3.891,41 3.916,42 5.725,43 3.815,44 4.616,45 4.843,46 3.835,47 3.824,48 5.667,49 3.719,50 4.443,51 4.656,52 3.681,53 3.719,54 5.495,55 3.612,56 0.075,57 0.697,58 7.833,59 4.077,60 10.97,61 5.086,62 0.146,63 1.089,64 15.897,65 7.171,66 18.989,67 8.941,68 0.416,69 1.314,70 28.917,71 9.592,72 43.521,73 11.921,74 0.358,75 1.372,76 31.248,77 10.883,78 41.066,79 14.088,80 0.263,81 1.24,82 26.616,83 9.509,84 36.239,85 12.421,86 0.36,87 1.2,88 27.166,89 9.203,90 44.335,91 11.652,92 0.486,93 1.113,94 29.742,95 8.68,96 46.804,97 11.003,98 0.383,99 0.943,100 23.284,101 7.42,102 35.517,103 9.646,104 17,105 45,106 0.275,107 0.649,108 0.815,109 0.896,110 0.903,111 0.903,112 3.407,113 0.935,114 -4.54,115 -4.47,116 -4.21,119 44.9,120 1,121 1,125 1,127 1,142 7,143 4,144 3,145 2,146 1,152 1,163 1,164 1,165 1,168 1,172 10,175 4,180 3,183 14,185 1,187 1,188 7,190 1,191 1,193 3,196 14,198 1,200 5,205 4,208 7,210 2,213 7,218 3,221 4,223 2,225 5,227 1,228 1,230 3,233 3,235 2,237 1,238 3,241 1,243 2,246 4,248 2,249 1,250 4,253 1,255 2,258 6,260 2,264 1,269 2,272 8,274 2,276 1399,277 19.463,278 19.463,279 19.463,280 19.463,281 19.463,282 16.792,283 13.185,284 11.34,285 19.974,286 15.776,287 15.776,288 15.776,289 15.776,290 15.776,291 11.826,292 11.288,293 5.41,294 16.729,295 3.97,296 1.733,297 0.743,298 0.26,299 0.219,300 0.219,301 4.103,302 2,305 1,306 1,307 805,308 3.24,311 73.084,312 283.028,315 125.06,319 1.998,320 23.278,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 61.667,332 368,333 4.558,334 3.322,335 6.522,336 4.089,337 3.103,338 4.51,339 0.86,340 10.231,341 3.059,342 4.22,343 3.148,344 6.117,345 3.784,346 2.846,347 3.871,349 8.979,350 2.74,351 4.184,352 2.975,353 5.957,354 3.762,355 2.798,356 3.816,358 8.374,359 2.647,360 3.698,361 2.754,362 5.406,363 3.398,364 2.471,365 3.099,367 7.032,368 2.245,369 3.589,370 2.575,371 5.291,372 3.238,373 2.294,374 2.864,376 6.747,377 2.12,378 3.309,379 2.178,380 4.952,381 2.878,382 1.926,383 2.647,385 5.415,386 1.822,387 3.128,388 2.094,389 4.748,390 2.836,391 1.871,392 2.248,394 5.251,395 1.743,396 2.944,397 2.007,398 4.354,399 2.466,400 1.507,401 2.09,403 4.152,404 1.441,405 2.82,406 1.597,407 4.04,408 2.306,409 1.414,410 1.948,412 3.523,413 1.198,414 2.704,415 1.278,416 4.01,417 2.194,418 1.234,419 1.798,421 3.176,422 1.182,423 2.571,424 1.114,425 3.49,426 2.042,427 1.085,428 1.605,430 2.548,431 1.034,432 2.111,433 1.018,434 3.224,435 1.642,436 0.656,437 0.939,439 1.554,440 0.646,441 1.745,442 0.78,443 3.169,444 1.492,445 0.601,446 0.669,448 1.423,449 0.525,450 1.445,451 0.713,452 2.709,453 1.041,454 0.222,455 0.259,457 0.486,458 0.15,459 1.022,460 0.166,461 2.609,462 0.631,463 -0.33,464 -0.38,466 -0.827,467 -0.25,468 14.362,469 0.495,470 0.767,471 0.026,472 38.75,473 1.336,474 20.5,475 0.707,476 18.25,477 0.629,478 24.325,479 0.839,480 30.038,481 0.613,482 27.387,483 0.944,484 7.635,485 0.263,486 6.356,487 0.219,488 0.162,490 0.348,496 0.759,497 1.013,498 0.568,499 0.802,500 0.868,501 0.791,502 0.961,503 1.104,504 0.643,505 0.844,506 0.795,507 0.84,508 1.013,509 1.055,510 0.876,511 1.001,512 0.944,513 1.05,514 1.046,515 1.006,516 0.861,517 0.971,518 0.931,519 1.006,520 0.932,521 1.093,522 0.845,523 1.05,524 0.961,525 1.048,526 1.156,527 1.11,528 0.92,529 1.075,530 1.089,531 1.067,532 1.105,533 0.911,534 1.079,535 1.048,536 1.028,537 1.01,538 0.806,539 0.998,540 1.011,541 1.1,542 0.898,543 1.067,544 6.5,545 0.17,546 3.556,547 1.792,548 1.444,549 0.83,550 0.537,551 0.365,552 0.217,553 0.203,554 12275,555 37818,556 2.09,557 40.8,559 10,561 2,562 3,563 3,564 2,567 1.714,568 1.955,569 3.632,570 0.891,577 80.575,578 1.644,579 3.881,580 4.872,581 5.354,582 5.395,583 5.395,584 3.082,585 4.651,586 4.832,587 3.823,588 1552.18,589 8.385,590 22034.7,592 1,595 275.121,596 1.416,597 4.788,598 0.203,599 0.007,600 0.079,601 0.041,602 0.04,603 0.024,604 0.016,605 0.012,606 0.008,607 0.008,608 0.44,609 0.17,610 1,611 0.562,612 150.284,613 -0.025,614 0.119,615 0.007,616 0.057,617 -0.135,618 0.053,619 -0.089,620 -0.046,621 0.041,622 0.06,623 -0.018,624 0.055,625 0.026,626 -0.042,627 0.004,628 -0.055,629 0.031,630 -0.122,631 -0.108,632 -0.051,633 -0.029,634 -0.003,635 -0.076,636 -0.01,637 -0.068,638 -0.12,639 -0.047,640 -0.095,641 -0.058,642 -0.064,643 -0.057,644 -0.138,645 -0.055,646 -0.119,647 -0.042,648 -0.101,649 0.055,650 0.066,651 -0.062,652 -0.072,653 0.027,654 -0.032,655 0.182,656 -0.027,657 -0.073,658 -0.126,659 0.067,660 -0.084,661 1.513,662 2.387,663 0.724,664 29.439,665 1.007,666 1.119,667 3.313,668 10.978,669 0.715,670 3.497,671 3.829,672 4.078,673 4.304,674 4.511,675 4.533,676 4.644,677 4.736,678 4.745,679 4.812,680 7.591,681 0.677,682 427.36,683 3.497,684 5.043,685 5.889,686 6.76,687 7.62,688 8.493,689 9.359,690 10.232,691 11.101,692 11.976,693 8.2,694 1,701 1,703 2,708 2,709 9,710 2,711 1,714 7,716 22,733 1,734 2,735 49,737 22,738 2,739 32,741 52,742 22,743 18,744 6,745 6,748 4,749 5,750 2,754 1,760 2,762 18,763 4,780 1,783 20,784 4,785 3,786 7,787 2,792 4,797 0.75,798 1,807 1,809 1,815 1,816 3,819 1,836 1,843 3,847 1,848 2,851 29,852 1,858 2,861 1,863 1,873 2,874 2,879 1,881 14.833,882 9.019,883 6.278,884 2.784,886 4.107,887 1.534,888 1.008,889 5.948,890 11.803,891 3.784,892 4.434,893 5.038,894 5.627,895 6.162,896 6.424,897 6.845,898 7.265,899 7.501,900 7.847,901 1,902 44,903 10.649,905 4.509,906 7.692,907 20.35,909 16.733,911 2.192,912 63.556,915 1,916 200.109,917 129.656,918 83.009,919 78.297,920 11,923 129.656,924 289.406,925 83.009,926 8.825,927 40.024,928 66.334,929 56.991,930 72.276,931 2.757,932 176.567,933 78.297,934 200.109,935 212.665,936 11,937 78.297,939 176.567,940 34.542,943 85.751,944 93.465,945 111.746,947 200.109,948 94.009,949 207.953,952 200.109,953 36.402,954 93.254,955 16.663,956 155.643,957 200.109,958 94.009,959 207.953,961 0.589,962 0.34,963 0.174,964 0.095,965 22,966 10,967 0.115,968 6,969 1,970 1.095,971 4.165,972 247.981,973 0.095,974 21,975 140.881,981 20.019,982 8.617,983 4.664,984 2.039,985 77.346,986 17.133,987 8.582,988 3.006,991 5.826,993 49.56,994 502.071,995 43,1007 49.334,1008 54.827,1009 0.293,1010 0.691,1011 0.868,1012 0.954,1013 0.961,1014 0.961,1015 5.014,1016 1.507,1017 5.878,1018 5.251,1019 4.511,1020 5.121,1021 0.908,1022 6.666,1023 4.405,1024 6.237,1025 1.414,1026 7.427,1027 4.152,1028 4.111,1029 4.956,1031 7.496,1032 3.928,1033 7.548,1034 1.234,1035 9.07,1036 3.523,1037 6.094,1038 7.374,1039 0.739,1040 10.562,1041 5.919,1042 8.895,1043 1.085,1044 10.767,1045 3.176,1046 6.479,1047 8.031,1049 12.201,1050 6.242,1051 10.271,1052 0.656,1053 12.497,1054 2.548,1055 7.941,1056 9.923,1057 0.593,1058 14.774,1059 7.712,1060 11.669,1061 0.601,1062 14.252,1063 1.554,1064 8.691,1065 10.985,1067 16.768,1068 8.419,1069 13.085,1070 0.222,1071 16.024,1072 1.423,1073 9.938,1074 12.648,1075 0.469,1076 19.162,1077 9.666,1078 3.103,1079 -0.33,1080 17.81,1081 0.486,1082 10.867,1083 13.918,1085 21.321,1086 10.567,1087 2.846,1088 10.231,1089 19.606,1090 -0.827,1091 12.023,1092 15.477,1093 0.366,1094 23.649,1095 11.718,1096 2.798,1097 8.979,1098 21.412,1099 4.51,1100 13.039,1101 16.854,1103 25.884,1104 12.715,1105 2.471,1106 8.374,1107 23.225,1108 3.871,1109 14.158,1110 18.369,1111 0.283,1112 28.191,1113 13.827,1114 2.294,1115 7.032,1116 25.044,1117 3.816,1118 15.217,1119 19.801,1121 30.463,1122 14.873,1123 1.926,1124 6.747,1125 26.869,1126 3.099,1127 16.324,1128 21.299,1129 0.217,1130 32.767,1131 15.971,1132 1.871,1133 5.415,1134 28.699,1135 2.864,1136 17.406,1137 22.761,1139 35.058,1140 17.043,1141 11552,1142 20430,1143 21.383,1144 35.046,1145 48.429,1146 49.329,1147 49.433,1148 48.173,1149 48.053,1150 64.725,1151 1.72,1152 137.783,1153 45.1,1154 5.454,1155 5.322,1156 6.074,1157 5.151,1158 5.103,1159 7.51,1160 1.72,1161 16.757,1162 5.059,1163 14.503,1164 1.513,1165 1.542,1166 1.545,1167 1.505,1168 1.502,1169 2.023,1170 0.054,1171 4.306,1172 1.409,1173 4.123,1174 4.16,1175 4.123,1176 4.034,1177 5.102,1178 4.042,1179 3.942,1180 3.966,1181 4.08,1182 3.893,1183 5.05,1184 3.882,1185 3.843,1186 3.876,1187 3.807,1188 3.717,1189 5,1190 3.732,1191 3.58,1192 3.638,1193 3.553,1194 3.423,1195 4.908,1196 3.42,1197 3.401,1198 3.464,1199 3.399,1200 3.255,1201 4.491,1202 3.256,1203 3.066,1204 3.131,1205 3.319,1206 2.919,1207 4.4,1208 2.915,1209 2.994,1210 3.06,1211 3.187,1212 2.841,1213 4.299,1214 2.832,1215 2.878,1216 2.938,1217 2.909,1218 2.786,1219 4.244,1220 2.761,1221 0.142,1222 0.104,1223 0.204,1224 0.128,1225 0.097,1226 4.558,1227 0.141,1228 3.322,1229 0.027,1230 6.522,1231 0.32,1232 4.089,1233 0.096,1234 3.103,1235 4.51,1236 0.86,1237 10.231,1238 3.059,1239 1.988,1240 1.969,1241 2.063,1242 2.061,1243 1.259,1244 2.062,1245 1.915,1246 1.896,1247 2.011,1248 1.993,1249 1.213,1250 2.008,1251 1.734,1252 1.707,1253 1.84,1254 1.865,1255 0.96,1256 1.861,1257 1.539,1258 1.485,1259 1.735,1260 1.771,1261 0.896,1262 1.753,1263 1.489,1264 1.415,1265 1.693,1266 1.723,1267 0.733,1268 1.726,1269 1.047,1270 1.007,1271 1.268,1272 1.286,1273 0.475,1274 1.29,1275 0.954,1276 0.896,1277 1.226,1278 1.208,1279 0.249,1280 1.224,1281 0.867,1282 0.824,1283 1.116,1284 1.116,1285 0.197,1286 1.132,1287 4.174,1289 5.501,1290 2.398,1291 7.011,1292 4.727,1293 8.602,1294 6.804,1295 10.237,1297 2.006,1298 12.024,1301 6.226,1303 1.006,1306 5.887,1308 -0.18,1314 33.197,1315 80.575,1316 190.185,1317 238.714,1318 262.366,1319 264.366,1320 264.366,1321 45.71,1322 7.696,1323 76.82,1324 76.82,1325 23,1326 12.517,1327 4.524,1328 3.585,1329 45.024,1330 133,1331 125,1332 0.161,1333 210.794,1334 352.93,1335 506.096,1336 26220,1337 4.1,1338 20.38,1339 0.703,1340 0.598,1341 21.38,1342 17.336,1343 13.991,1344 0.437,1345 0.312,1346 9.186,1347 13.051,1348 8.867,1349 7.341,1350 14.569,1351 9.974,1352 12.896,1353 0.287,1354 0.174,1355 13.638,1356 7.828,1357 10.813,1358 0.186,1359 0.094,1360 11.727,1361 5.476,1362 8.58,1363 0.118,1364 0.048,1365 8.981,1366 3.526,1367 6.954,1368 0.077,1369 0.027,1370 7.324,1371 2.404,1372 0.261,1373 92.903,1374 0.216,1375 28.07,1376 0.421,1377 154,1378 431.078,1379 194.438,1380 484.718,1381 648.29,1382 452,1383 180,1384 436.378,1385 217.406,1386 465.709,1387 676.61,1388 437,1389 7.2}
{0 CHEMBL1991078,1 1.62,2 14.412,3 4.2,4 17.642,5 129.082,6 8.117,7 0.711,8 4.156,9 4.268,10 3.802,11 3.687,12 5.354,13 3.696,14 4.64,15 4.788,16 4.139,17 4.056,18 5.786,19 4.055,20 4.797,21 4.958,22 4.179,23 4.149,24 5.951,25 4.123,26 4.903,27 5.1,28 4.137,29 4.123,30 6.032,31 4.089,32 4.89,33 5.102,34 4.093,35 4.067,36 6.047,37 4.033,38 4.781,39 4.991,40 4.043,41 4.019,42 5.935,43 3.977,44 4.759,45 4.986,46 3.97,47 3.957,48 5.882,49 3.916,50 4.616,51 4.805,52 3.884,53 3.909,54 5.765,55 3.866,56 0.137,57 0.87,58 9.734,59 4.717,60 10.458,61 5.574,62 0.37,63 1.326,64 18.666,65 7.537,66 25.971,67 9.059,68 0.388,69 1.524,70 22.017,71 8.957,72 33.723,73 11.168,74 0.473,75 1.639,76 27.074,77 9.39,78 47.222,79 12.077,80 0.702,81 1.566,82 28.777,83 9.287,84 64.49,85 12.081,86 0.521,87 1.478,88 24.417,89 8.58,90 47.663,91 11.526,92 0.594,93 1.416,94 25.422,95 8.34,96 54.001,97 11.009,98 0.458,99 1.2,100 20.349,101 7.564,102 47.222,103 9.588,104 14,105 53,106 0.261,107 0.603,108 0.732,109 0.835,110 0.855,111 0.861,112 3.56,113 0.837,114 -4.22,115 -4.16,116 -3.93,119 44.6,124 2,125 1,142 11,143 4,144 2,146 2,151 1,153 1,158 1,166 2,168 1,172 13,174 1,175 7,178 1,179 1,180 3,183 12,187 1,188 15,191 1,193 5,196 6,200 16,203 1,205 6,208 1,212 2,213 11,216 1,218 3,221 4,224 2,225 7,228 3,230 1,233 9,237 2,238 4,241 5,246 14,249 2,250 3,253 1,258 13,263 3,264 8,269 2,272 7,276 2246,277 23.566,278 23.566,279 23.566,280 23.566,281 23.566,282 20.338,283 23.134,284 13.811,285 24.105,286 18.656,287 18.656,288 18.656,289 18.656,290 18.656,291 13.656,292 32.19,293 6.418,294 19.322,295 4.187,296 2.055,297 1.256,298 0.612,299 0.491,300 0.456,301 4.269,305 1,306 1,307 1074,308 3.464,311 175.842,312 329.742,315 147.53,319 2.377,320 28.324,323 1,324 0.67,325 1,326 0.6,328 1,329 1,330 0.75,331 74,332 490,333 4.578,334 3.588,335 6.578,336 4.115,337 3.138,338 4.522,339 1.058,340 10.482,341 3.066,342 4.324,343 3.171,344 6.239,345 3.93,346 2.956,347 3.97,348 0.86,349 9.358,350 2.885,351 4.232,352 3.113,353 6.144,354 3.816,355 2.853,356 3.877,357 0.86,358 9.1,359 2.748,360 3.922,361 2.958,362 5.892,363 3.559,364 2.581,365 3.451,366 0.522,367 8.122,368 2.528,369 3.874,370 2.692,371 5.546,372 3.505,373 2.524,374 3.244,376 7.552,377 2.447,378 3.577,379 2.224,380 5.131,381 3.132,382 2.159,383 3.005,385 6.156,386 2.096,387 3.33,388 2.196,389 5.042,390 2.879,391 1.925,392 2.664,394 5.921,395 1.834,396 2.939,397 2.009,398 4.405,399 2.522,400 1.611,401 2.124,403 4.185,404 1.476,405 2.919,406 1.912,407 4.322,408 2.483,409 1.496,410 2.058,412 3.998,413 1.461,414 2.841,415 1.563,416 4.16,417 2.361,418 1.368,419 1.947,421 3.571,422 1.351,423 2.76,424 1.355,425 3.937,426 2.267,427 1.287,428 1.833,430 3.048,431 1.255,432 2.592,433 1.2,434 3.576,435 2.085,436 1.107,437 1.616,439 2.901,440 1.078,441 2.5,442 1.052,443 3.282,444 2,445 1,446 1.5,448 2.136,449 1,450 2.208,451 1,452 3.247,453 1.713,454 0.738,455 1.069,457 1.746,458 0.717,459 2.091,460 0.934,461 3.242,462 1.611,463 0.663,464 0.901,466 1.527,467 0.62,468 15.9,469 0.468,470 0.704,471 0.021,472 49,473 1.441,474 27,475 0.794,476 22,477 0.647,478 24.529,479 0.721,480 35.1,481 0.627,482 39.508,483 1.162,484 10.202,485 0.3,486 6.437,487 0.189,488 0.084,490 0.34,496 0.743,497 1.064,498 0.697,499 1.001,500 0.615,501 0.869,502 1.087,503 1.021,504 0.827,505 0.866,506 0.756,507 0.815,508 0.929,509 1.245,510 0.971,511 1.157,512 0.923,513 1.087,514 1.169,515 1.236,516 1.075,517 1.111,518 1.213,519 1.074,520 1.203,521 1.047,522 1.01,523 0.888,524 1.264,525 0.906,526 0.774,527 1.081,528 0.917,529 1.001,530 0.945,531 0.981,532 1.01,533 0.717,534 0.941,535 0.77,536 1.445,537 0.823,538 1.047,539 0.919,540 1.015,541 0.943,542 1.394,543 0.969,544 6.5,545 0.207,546 3.778,547 1.951,548 1.783,549 1.184,550 0.621,551 0.462,552 0.306,553 0.303,554 18658,555 51815,556 2.145,557 39.3,559 19,560 1,562 2,567 1.758,568 2.04,569 3.803,570 0.206,577 90.743,578 1.62,579 3.752,580 4.552,581 5.195,582 5.316,583 5.352,584 3.268,585 4.852,586 5.055,587 3.969,588 2226.55,589 8.855,590 34933.2,592 1,595 325.212,596 1.286,597 5.033,598 0.171,599 0.006,600 0.071,601 0.037,602 0.036,603 0.025,604 0.014,605 0.011,606 0.008,607 0.008,608 0.387,609 0.33,610 0.88,611 0.699,612 184.452,613 0.059,614 0.076,615 0.064,616 -0.024,617 -0.025,618 0.009,619 -0.068,620 0.048,621 0.041,622 0.109,623 -0.022,624 0.092,625 -0.001,626 -0.201,627 -0.089,628 -0.178,629 -0.009,630 -0.155,631 -0.134,632 -0.21,633 -0.111,634 -0.162,635 -0.09,636 -0.135,637 -0.033,638 -0.056,639 0.008,640 0.064,641 0.026,642 0.047,643 0.129,644 -0.052,645 0.049,646 -0.046,647 0.123,648 -0.021,649 0.023,650 0.303,651 0.073,652 0.173,653 -0.085,654 0.138,655 -0.008,656 0.079,657 -0.063,658 0.042,659 -0.08,660 -0.009,661 1.967,662 5.874,663 0.765,664 42.363,665 1.012,666 1.124,667 2.993,668 8.957,669 0.687,670 3.664,671 3.989,672 4.29,673 4.554,674 4.754,675 4.86,676 5.017,677 5.153,678 5.278,679 5.421,680 8.24,681 0.669,682 454.53,683 3.664,684 5.209,685 6.071,686 6.95,687 7.825,688 8.709,689 9.59,690 10.477,691 11.361,692 12.25,693 10.7,700 1,701 2,703 3,708 2,709 12,710 3,711 1,714 7,715 1,716 27,723 1,733 2,735 56,737 28,738 3,739 38,741 60,742 25,743 21,744 7,745 11,746 1,748 5,749 6,762 22,763 3,767 1,772 1,776 1,783 22,784 7,785 2,786 9,792 6,797 0.8,798 3,807 1,815 2,816 3,819 1,843 4,847 2,851 34,858 1,860 1,861 2,871 1,874 5.4,877 1,879 2,881 16.667,882 10.8,883 7.556,884 3.063,886 4.981,887 1.586,888 1.015,889 6.191,890 13.485,891 3.98,892 4.62,893 5.255,894 5.861,895 6.364,896 6.71,897 7.174,898 7.612,899 7.978,900 8.399,901 0.9,902 53,903 12.492,905 5.305,906 7.74,907 23.613,909 19.082,911 2.24,912 76.167,915 1,916 235.422,917 171.708,918 86.317,920 47.145,923 171.708,924 282.567,925 86.317,926 21.766,927 20.116,928 113.286,929 79.716,930 70.285,931 11.771,932 223.651,934 235.422,935 258.025,936 47.145,939 235.422,940 47.145,943 45.785,944 162.373,945 49.867,947 235.422,948 133.462,949 171.708,952 235.422,953 36.656,954 136.829,955 34.674,956 97.011,957 235.422,958 133.462,959 171.708,961 0.577,962 0.349,963 0.19,964 0.099,965 26,966 11,967 0.117,968 7,969 1,970 1.077,971 4.591,972 319.877,973 0.077,974 26,975 168.974,981 21.985,982 9.574,983 4.639,984 1.493,985 115.022,986 22.705,987 12.861,988 2.903,991 4.7,992 1.796,993 34.674,994 540.592,995 52.5,1000 12.874,1004 -0.3,1007 56.662,1008 62.94,1009 0.279,1010 0.646,1011 0.784,1012 0.895,1013 0.915,1014 0.922,1015 5.203,1016 1.611,1017 6.047,1018 5.921,1019 4.673,1020 5.308,1021 1.908,1022 6.855,1023 4.611,1024 6.42,1025 1.496,1026 7.602,1027 4.185,1028 4.205,1029 5.085,1031 7.727,1032 4.121,1033 7.732,1034 1.368,1035 9.254,1036 3.998,1037 6.267,1038 7.558,1039 1.766,1040 10.815,1041 6.153,1042 9.082,1043 1.287,1044 10.963,1045 3.571,1046 6.648,1047 8.198,1049 12.508,1050 6.506,1051 10.463,1052 1.107,1053 12.708,1054 3.048,1055 8.137,1056 10.094,1057 1.699,1058 15.087,1059 7.974,1060 11.867,1061 1,1062 14.477,1063 2.901,1064 8.901,1065 11.146,1067 17.119,1068 8.708,1069 13.288,1070 0.738,1071 16.264,1072 2.136,1073 10.16,1074 12.801,1075 1.678,1076 19.521,1077 9.949,1078 3.138,1079 0.663,1080 18.064,1081 1.746,1082 11.104,1083 14.062,1085 21.703,1086 10.863,1087 2.956,1088 10.482,1089 19.873,1090 1.527,1091 12.269,1092 15.612,1093 1.689,1094 24.043,1095 12.008,1096 2.853,1097 9.358,1098 21.69,1099 4.522,1100 13.299,1101 16.982,1103 26.296,1104 13.01,1105 2.581,1106 9.1,1107 23.513,1108 3.97,1109 14.427,1110 18.489,1111 1.723,1112 28.617,1113 14.117,1114 2.524,1115 8.122,1116 25.342,1117 3.877,1118 15.498,1119 19.915,1121 30.904,1122 15.162,1123 2.159,1124 7.552,1125 27.175,1126 3.451,1127 16.614,1128 21.407,1129 1.776,1130 33.223,1131 16.256,1132 1.925,1133 6.156,1134 29.011,1135 3.244,1136 17.706,1137 22.865,1139 35.529,1140 17.324,1141 17395,1142 29175,1143 25.948,1144 38.489,1145 57.046,1146 58.195,1147 58.285,1148 56.55,1149 56.649,1150 77.795,1151 6.6,1152 162.79,1153 54.789,1154 5.419,1155 5.588,1156 6.38,1157 5.16,1158 5.138,1159 7.522,1160 2.117,1161 17.301,1162 5.066,1163 13.92,1164 1.501,1165 1.531,1166 1.534,1167 1.488,1168 1.491,1169 2.047,1170 0.174,1171 4.284,1172 1.442,1173 4.132,1174 4.174,1175 4.103,1176 4.021,1177 7.429,1178 4.035,1179 3.95,1180 4.001,1181 3.9,1182 3.857,1183 5.14,1184 3.854,1185 3.929,1186 3.941,1187 3.885,1188 3.842,1189 5.027,1190 3.85,1191 3.773,1192 3.829,1193 3.726,1194 3.567,1195 4.919,1196 3.605,1197 3.446,1198 3.492,1199 3.387,1200 3.219,1201 4.736,1202 3.253,1203 3.296,1204 3.351,1205 3.212,1206 3.066,1207 4.496,1208 3.093,1209 3.247,1210 3.314,1211 3.051,1212 2.952,1213 4.33,1214 2.96,1215 3.105,1216 3.174,1217 2.95,1218 2.927,1219 4.27,1220 2.921,1221 0.12,1222 0.094,1223 0.173,1224 0.108,1225 0.083,1226 4.578,1227 0.119,1228 3.588,1229 0.028,1230 6.578,1231 0.276,1232 4.115,1233 0.081,1234 3.138,1235 4.522,1236 1.058,1237 10.482,1238 3.066,1239 1.95,1240 1.931,1241 2.046,1242 2.033,1243 1.185,1244 2.034,1245 1.912,1246 1.883,1247 2.014,1248 2.012,1249 1.151,1250 2.014,1251 1.885,1252 1.871,1253 1.969,1254 1.981,1255 1.075,1256 1.979,1257 1.465,1258 1.41,1259 1.618,1260 1.756,1261 0.76,1262 1.702,1263 1.422,1264 1.355,1265 1.586,1266 1.695,1267 0.586,1268 1.671,1269 1.226,1270 1.164,1271 1.576,1272 1.531,1273 0.574,1274 1.54,1275 1.203,1276 1.148,1277 1.515,1278 1.523,1279 0.537,1280 1.528,1281 1.191,1282 1.115,1283 1.335,1284 1.433,1285 0.43,1286 1.399,1287 4.344,1289 5.666,1290 3.045,1291 7.18,1292 5.352,1293 8.777,1294 7.402,1295 10.417,1297 3.075,1303 0.633,1305 2.892,1306 10.536,1314 37.487,1315 90.743,1316 210.139,1317 254.893,1318 290.947,1319 297.702,1320 299.702,1321 51.917,1322 8.504,1323 106.95,1324 106.95,1325 28,1326 12.781,1327 4.858,1328 3.954,1329 50.168,1330 166,1331 174,1332 0.144,1333 228.31,1334 382.81,1335 548.837,1336 69750,1338 23.493,1339 0.691,1340 0.548,1341 23.493,1342 18.649,1343 16.64,1344 0.438,1345 0.279,1346 10.405,1347 15.851,1348 10.143,1349 8.459,1350 16.64,1351 10.603,1352 14.636,1353 0.276,1354 0.144,1355 14.636,1356 7.641,1357 12.951,1358 0.18,1359 0.076,1360 12.951,1361 5.46,1362 10.838,1363 0.115,1364 0.039,1365 10.838,1366 3.706,1367 8.507,1368 0.074,1369 0.021,1370 8.507,1371 2.422,1372 0.231,1373 105.483,1374 0.196,1375 31.86,1376 0.381,1377 182,1378 568.453,1379 201.101,1380 547.152,1381 757.11,1382 514,1383 216,1384 571.891,1385 237.239,1386 579.208,1387 839.24,1388 541,1389 6.1}
{0 CHEMBL1991138,1 1.41,2 13.5,3 4.881,4 23.819,5 135.731,6 6.979,7 0.564,8 4.275,9 4.404,10 3.81,11 3.835,12 5.267,13 3.802,14 4.836,15 5.018,16 4.148,17 4.243,18 5.755,19 4.181,20 5.096,21 5.33,22 4.157,23 4.351,24 5.94,25 4.247,26 5.132,27 5.393,28 4.146,29 4.324,30 5.978,31 4.224,32 5.06,33 5.29,34 4.118,35 4.351,36 5.902,37 4.241,38 5.106,39 5.347,40 4.116,41 4.368,42 5.956,43 4.247,44 5.119,45 5.38,46 4.051,47 4.313,48 5.971,49 4.182,50 5.02,51 5.276,52 3.974,53 4.201,54 5.846,55 4.089,56 0.06,57 0.98,58 14.508,59 5.963,60 10.787,61 8.283,62 0.239,63 1.623,64 27.082,65 10.189,66 24.586,67 14.364,68 0.324,69 1.968,70 36.709,71 13.323,72 32.155,73 19.231,74 0.421,75 1.994,76 39.215,77 13.178,78 44.792,79 19.353,80 0.317,81 1.882,82 35.256,83 13.282,84 34.432,85 19.049,86 0.366,87 1.977,88 37.101,89 13.868,90 35.162,91 20.084,92 0.383,93 1.949,94 38.301,95 13.739,96 47.52,97 20.29,98 0.333,99 1.765,100 34.925,101 11.819,102 34.916,103 17.332,104 2,105 55,106 0.222,107 0.566,108 0.736,109 0.829,110 0.843,111 0.843,112 3.561,113 0.951,114 -5.39,115 -5.28,116 -4.93,119 43.1,121 4,122 2,125 4,142 9,143 2,144 1,145 1,146 1,147 1,151 1,152 1,161 1,163 1,164 1,165 1,172 15,174 1,175 9,177 1,178 1,183 12,187 1,188 13,190 1,191 1,196 5,199 1,200 10,202 1,203 1,205 1,208 5,210 1,212 1,213 6,218 3,221 14,223 3,224 3,225 4,230 3,233 17,235 3,237 1,238 4,240 1,241 1,243 2,246 13,248 2,250 10,258 7,263 1,264 8,266 1,267 1,269 1,272 3,274 1,276 2358,277 23.739,278 23.739,279 23.739,280 23.739,281 23.739,282 21.158,283 23.655,284 14.176,285 24.197,286 19.353,287 19.353,288 19.353,289 19.353,290 19.353,291 15.478,292 23.807,293 6.834,294 20.13,295 4.612,296 2.437,297 1.354,298 0.769,299 0.677,300 0.677,301 4.28,306 1,307 1037,308 2.915,310 69.239,311 169.675,312 307.57,315 139.779,319 2.294,320 19.185,323 0.75,324 0.67,325 1,326 0.8,327 0.5,328 1,329 1,330 0.82,331 71.5,332 459,333 4.764,334 3.437,335 7.053,336 4.306,337 3.356,338 4.732,339 1.151,340 12.159,341 3.194,342 4.118,343 3.049,344 6.308,345 3.889,346 2.904,347 3.715,348 0.8,349 9.568,350 2.864,351 3.959,352 2.972,353 5.889,354 3.648,355 2.69,356 3.443,358 8.279,359 2.576,360 3.889,361 2.812,362 5.583,363 3.502,364 2.531,365 3.26,367 7.502,368 2.481,369 3.623,370 2.655,371 5.393,372 3.446,373 2.492,374 2.914,376 7.062,377 2.353,378 3.549,379 2.363,380 5.244,381 3.139,382 2.195,383 2.732,385 6.557,386 2.062,387 3.354,388 2.251,389 5.206,390 3.112,391 2.163,392 2.421,394 6.401,395 2.049,396 3.009,397 1.699,398 4.712,399 2.533,400 1.575,401 2.229,403 4.649,404 1.509,405 2.904,406 1.677,407 4.414,408 2.523,409 1.558,410 2.074,412 4.059,413 1.498,414 2.794,415 1.523,416 3.989,417 2.435,418 1.455,419 1.866,421 3.143,422 1.419,423 2.692,424 1.261,425 3.651,426 2.198,427 1.22,428 1.779,430 2.921,431 1.191,432 2.5,433 1.246,434 3.599,435 2.127,436 1.166,437 1.5,439 2.675,440 1.117,441 2.431,442 1,443 3.471,444 2,445 1,446 1.405,448 2.392,449 1,450 2.222,451 0.969,452 3.349,453 1.905,454 0.953,455 1.196,457 2.136,458 0.904,459 1.882,460 0.952,461 3.247,462 1.656,463 0.695,464 0.81,466 1.928,467 0.666,468 16.333,469 0.48,470 0.688,471 0.02,472 43.75,473 1.287,474 21,475 0.618,476 22.75,477 0.669,478 30.872,479 0.908,480 35.867,481 0.552,482 31.747,483 0.934,484 8.066,485 0.237,486 8.676,487 0.255,488 0.024,490 0.324,496 0.946,497 1.314,498 0.837,499 1.073,500 0.955,501 0.963,502 1.169,503 1.147,504 0.987,505 1.048,506 0.748,507 1.008,508 1.083,509 1.105,510 1.004,511 1.063,512 0.822,513 1.032,514 1.27,515 0.884,516 0.911,517 0.82,518 0.972,519 0.824,520 1.028,521 1.042,522 1.003,523 1.024,524 0.89,525 1.016,526 0.845,527 1.017,528 1.009,529 1.047,530 1.068,531 1.043,532 0.826,533 1.032,534 0.956,535 1.007,536 1.098,537 0.992,538 1.377,539 1.017,540 1.014,541 0.933,542 1.209,543 0.935,544 5.5,545 0.198,546 2.667,547 2.451,548 1.895,549 0.983,550 0.659,551 0.541,552 0.282,553 0.304,554 19003,555 38049,556 2.234,557 47.7,558 4,559 17,560 1,561 1,562 2,563 1,564 5,567 1.762,568 2.17,569 3.679,570 0.118,577 91.658,578 1.41,579 3.585,580 4.668,581 5.253,582 5.345,583 5.345,584 3.176,585 4.676,586 5.05,587 3.881,588 2177.22,589 8.871,590 33532,595 391.454,596 1.083,597 5.051,598 0.141,599 0.005,600 0.05,601 0.048,602 0.037,603 0.02,604 0.013,605 0.012,606 0.007,607 0.008,608 0.341,609 0.17,610 0.88,611 0.299,612 182.863,613 -0.004,614 -0.138,615 0.079,616 -0.026,617 0.005,618 0.026,619 -0.011,620 -0.035,621 -0.025,622 -0.048,623 0.117,624 -0.041,625 0.011,626 -0.082,627 -0.02,628 -0.082,629 0.094,630 -0.059,631 -0.026,632 0.123,633 0.103,634 0.131,635 0.129,636 0.132,637 -0.012,638 -0.033,639 -0.031,640 -0.022,641 0.061,642 -0.028,643 0.075,644 -0.005,645 -0.038,646 -0.055,647 -0.016,648 -0.058,649 0.116,650 -0.048,651 0.03,652 -0.03,653 0.031,654 -0.01,655 -0.124,656 -0.02,657 -0.003,658 0.024,659 -0.126,660 0.024,661 1.153,662 2.574,663 0.882,664 43.516,665 0.99,666 1.125,667 4.165,668 17.346,669 0.667,670 3.689,671 4.025,672 4.344,673 4.644,674 4.883,675 5.043,676 5.252,677 5.451,678 5.572,679 5.704,680 7.83,681 0.626,682 453.64,683 3.689,684 5.242,685 6.111,686 7.006,687 7.895,688 8.801,689 9.703,690 10.617,691 11.527,692 12.447,693 7.7,696 1,697 1,701 1,703 2,708 1,709 11,710 2,714 6,716 22,727 1,733 1,735 65,737 22,738 2,739 39,741 70,742 28,743 18,744 3,745 9,748 6,749 7,757 4,758 2,760 4,762 18,763 10,764 2,783 31,784 5,785 2,786 6,789 1,792 5,797 0.833,798 1,806 1,812 1,814 1,815 2,816 3,819 1,839 1,843 5,851 34,852 1,858 8,861 1,863 2,864 1,874 1.5,879 1,881 15.667,882 11.383,883 7.333,884 4.149,886 4.071,887 1.471,888 1.031,889 5.982,890 12.706,891 3.932,892 4.535,893 5.157,894 5.783,895 6.346,896 6.702,897 7.18,898 7.652,899 7.978,900 8.338,901 1,902 51,903 12.609,905 5.462,906 7.436,907 25.068,909 21.74,911 1.936,912 65.833,916 341.362,917 145.6,918 70.879,920 11,923 145.6,924 352.362,925 70.879,927 21.048,928 127.231,929 47.67,930 38.829,931 16.243,932 317.82,934 341.362,935 216.479,936 11,939 282.506,940 69.855,943 39.591,944 143.317,945 33.571,947 341.362,948 81.879,949 145.6,952 341.362,953 42.219,954 107.792,956 77.468,957 341.362,958 81.879,959 145.6,961 0.579,962 0.34,963 0.19,964 0.101,965 29,966 11,967 0.1,968 7,969 1,970 1.067,971 4.69,972 331.844,973 0.067,974 30,975 162.974,981 21.637,982 9.4,983 4.459,984 0.89,985 80.592,986 22.119,987 9.513,991 5.466,993 32.897,994 568.841,995 50,1007 64.323,1008 73.099,1009 0.234,1010 0.595,1011 0.775,1012 0.872,1013 0.888,1014 0.888,1015 5.179,1016 1.575,1017 6.084,1018 6.401,1019 4.71,1020 5.223,1021 1.528,1022 6.911,1023 4.632,1024 6.365,1025 1.558,1026 7.64,1027 4.649,1028 4.205,1029 4.945,1030 0.325,1031 7.813,1032 4.079,1033 7.668,1034 1.455,1035 9.298,1036 4.059,1037 6.319,1038 7.426,1039 1.603,1040 10.99,1041 6.165,1042 9.009,1043 1.22,1044 11.021,1045 3.143,1046 6.698,1047 8.076,1048 0.268,1049 12.808,1050 6.492,1051 10.387,1052 1.166,1053 12.789,1054 2.921,1055 8.224,1056 9.992,1057 1.778,1058 15.493,1059 7.992,1060 11.794,1061 1,1062 14.589,1063 2.675,1064 9.021,1065 11.105,1066 0.188,1067 17.703,1068 8.734,1069 13.225,1070 0.953,1071 16.414,1072 2.392,1073 10.317,1074 12.793,1075 1.991,1076 20.242,1077 9.999,1078 3.356,1079 0.695,1080 18.258,1081 2.136,1082 11.318,1083 14.138,1084 0.125,1085 22.618,1086 10.945,1087 2.904,1088 12.159,1089 20.118,1090 1.928,1091 12.53,1092 15.736,1093 2.225,1094 25.116,1095 12.119,1096 2.69,1097 9.568,1098 21.992,1099 4.732,1100 13.63,1101 17.192,1102 0.082,1103 27.561,1104 13.164,1105 2.531,1106 8.279,1107 23.877,1108 3.715,1109 14.817,1110 18.756,1111 2.473,1112 30.051,1113 14.307,1114 2.492,1115 7.502,1116 25.772,1117 3.443,1118 15.965,1119 20.265,1120 0.054,1121 32.524,1122 15.4,1123 2.195,1124 7.062,1125 27.675,1126 3.26,1127 17.149,1128 21.819,1129 2.73,1130 35.015,1131 16.537,1132 2.163,1133 6.557,1134 29.585,1135 2.914,1136 18.322,1137 23.351,1138 0.035,1139 37.501,1140 17.655,1141 17188,1142 24539,1143 27.334,1144 43.381,1145 58.673,1146 58.609,1147 58.84,1148 58.418,1149 58.337,1150 74.809,1151 3.902,1152 168.403,1153 56.042,1154 5.764,1155 5.437,1156 6.855,1157 5.375,1158 5.356,1159 7.732,1160 2.302,1161 19.704,1162 5.194,1163 7.609,1164 1.504,1165 1.503,1166 1.509,1167 1.498,1168 1.496,1169 1.918,1170 0.1,1171 4.318,1172 1.437,1173 4.174,1174 4.22,1175 4.146,1176 4.036,1177 5.227,1178 4.056,1179 3.923,1180 3.97,1181 3.854,1182 3.849,1183 4.901,1184 3.845,1185 3.91,1186 3.95,1187 3.804,1188 3.806,1189 4.791,1190 3.799,1191 3.821,1192 3.856,1193 3.75,1194 3.709,1195 4.695,1196 3.717,1197 3.736,1198 3.796,1199 3.605,1200 3.603,1201 4.421,1202 3.595,1203 3.287,1204 3.352,1205 3.217,1206 3.101,1207 4.359,1208 3.118,1209 3.209,1210 3.264,1211 3.087,1212 3.024,1213 4.251,1214 3.028,1215 3.091,1216 3.173,1217 2.968,1218 2.918,1219 4.099,1220 2.92,1221 0.122,1222 0.088,1223 0.181,1224 0.11,1225 0.086,1226 4.764,1227 0.121,1228 3.437,1229 0.03,1230 7.053,1231 0.312,1232 4.306,1233 0.082,1234 3.356,1235 4.732,1236 1.151,1237 12.159,1238 3.194,1239 1.964,1240 1.927,1241 2.121,1242 2.116,1243 1.554,1244 2.112,1245 1.934,1246 1.903,1247 2.044,1248 2.038,1249 1.211,1250 2.04,1251 1.891,1252 1.862,1253 2,1254 1.988,1255 1.152,1256 1.996,1257 1.764,1258 1.718,1259 1.869,1260 1.916,1261 1.113,1262 1.916,1263 1.577,1264 1.507,1265 1.86,1266 1.751,1267 1.038,1268 1.793,1269 1.468,1270 1.391,1271 1.705,1272 1.708,1273 0.93,1274 1.713,1275 1.261,1276 1.214,1277 1.455,1278 1.473,1279 0.617,1280 1.46,1281 1.172,1282 1.119,1283 1.382,1284 1.401,1285 0.597,1286 1.406,1287 4.369,1289 5.727,1290 3.045,1291 7.269,1292 5.352,1293 8.897,1294 7.445,1295 10.573,1301 6.366,1303 9.385,1306 6.074,1308 1.237,1309 2.624,1314 40.67,1315 91.658,1316 233.057,1317 303.415,1318 341.454,1319 347.454,1320 347.454,1321 45.22,1322 8.636,1323 68.68,1324 68.68,1325 32,1326 12.958,1327 4.524,1328 3.585,1329 45.095,1330 153,1331 174,1332 0.138,1333 243.689,1334 412.59,1335 586.362,1336 78544,1338 22.907,1339 0.674,1340 0.572,1341 22.907,1342 19.437,1343 16.742,1344 0.429,1345 0.317,1346 12.234,1347 16.258,1348 11.999,1349 9.89,1350 16.742,1351 12.363,1352 15.071,1353 0.274,1354 0.176,1355 15.071,1356 9.694,1357 13.093,1358 0.172,1359 0.096,1360 13.093,1361 7.282,1362 11.227,1363 0.109,1364 0.052,1365 11.227,1366 5.31,1367 8.963,1368 0.068,1369 0.027,1370 8.963,1371 3.483,1372 0.218,1373 103.663,1374 0.191,1375 31.698,1376 0.374,1377 188,1378 433.628,1379 201.285,1380 427.804,1381 609.99,1382 406,1383 225,1384 470.567,1385 240.422,1386 478.74,1387 707.97,1388 453,1389 5.2}
{0 CHEMBL1991143,1 1.692,2 8.833,3 4.382,4 19.2,5 92.879,6 8.942,7 0.63,8 3.779,9 3.875,10 3.504,11 3.388,12 4.991,13 3.378,14 4.265,15 4.4,16 3.937,17 3.791,18 5.438,19 3.78,20 4.497,21 4.636,22 4.074,23 3.91,24 5.753,25 3.902,26 4.615,27 4.783,28 4.07,29 3.885,30 5.947,31 3.878,32 4.534,33 4.706,34 3.973,35 3.799,36 5.919,37 3.779,38 4.418,39 4.579,40 3.789,41 3.739,42 5.698,43 3.683,44 4.375,45 4.593,46 3.554,47 3.624,48 5.488,49 3.501,50 4.146,51 4.383,52 3.06,53 3.373,54 5.126,55 3.204,56 0.128,57 0.547,58 5.435,59 3.125,60 8.098,61 3.592,62 0.144,63 0.888,64 10.863,65 5.317,66 13.893,67 6.363,68 0.29,69 1.1,70 15.996,71 6.389,72 22.35,73 7.195,74 0.508,75 1.193,76 19.52,77 7.159,78 43.977,79 8.097,80 0.582,81 1.053,82 19.557,83 6.907,84 79.304,85 7.526,86 0.422,87 0.939,88 15.897,89 6.271,90 49.128,91 6.624,92 0.362,93 0.844,94 19.762,95 7.081,96 42.999,97 8.855,98 0.251,99 0.659,100 17.962,101 6.117,102 31.228,103 7.87,104 26,105 41,106 0.299,107 0.645,108 0.733,109 0.833,110 0.846,111 0.846,112 3.231,113 0.872,114 -4.74,115 -4.65,116 -4.37,119 47.4,120 2,142 7,143 3,144 3,146 1,153 1,157 1,166 1,168 1,172 7,174 1,175 10,183 12,187 1,188 8,191 1,193 3,196 9,199 3,200 11,203 1,205 2,208 4,213 11,216 1,218 3,221 7,225 5,230 3,233 8,238 5,243 1,246 12,250 1,255 1,258 7,264 1,272 6,276 720,277 15.93,278 15.93,279 15.93,280 15.93,281 15.93,282 13.786,283 20.52,284 8.952,285 16.224,286 13.273,287 13.273,288 13.273,289 13.273,290 13.273,291 9.925,292 23.739,293 4.236,294 13.787,295 3.556,296 1.6,297 1.103,298 0.533,299 0.461,300 0.461,301 3.921,302 1,305 1,306 1,307 464,308 2.345,311 38.022,312 152.708,315 67.16,316 78.737,319 1.347,320 27.866,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 51.833,332 212,333 4.767,334 4.221,335 7.219,336 4.419,337 3.447,338 4.478,339 1.812,340 12.721,341 3.358,342 4.286,343 3.587,344 6.473,345 3.876,346 2.906,347 3.943,349 10.027,350 2.814,351 3.988,352 3.128,353 6.145,354 3.578,355 2.595,356 3.58,358 8.689,359 2.547,360 3.693,361 2.909,362 5.739,363 3.384,364 2.405,365 3.022,367 7.482,368 2.353,369 3.561,370 2.633,371 5.053,372 3.149,373 2.222,374 2.874,376 6.056,377 2.065,378 3.359,379 2.368,380 4.968,381 2.971,382 2.013,383 2.595,385 5.725,386 1.847,387 3.03,388 2.233,389 4.906,390 2.614,391 1.658,392 2.199,394 4.985,395 1.547,396 2.68,397 1.771,398 4.405,399 2.222,400 1.233,401 1.754,403 3.72,404 1.217,405 2.5,406 1.297,407 3.815,408 2,409 1,410 1.5,412 2.514,413 1,414 2.416,415 1.204,416 3.665,417 1.975,418 0.987,419 1.343,421 2.275,422 0.965,423 1.973,424 1,425 3.414,426 1.519,427 0.487,428 0.687,430 1.308,431 0.492,432 1.161,433 0.614,434 2.938,435 0.822,436 -0.134,437 -0.164,439 -0.322,440 -0.11,441 1.068,442 0.259,443 2.515,444 0.689,445 -0.225,446 -0.276,448 -0.514,449 -0.197,450 0.722,451 0.048,452 2.368,453 0.434,454 -0.548,455 -0.636,457 -1.364,458 -0.506,459 0.667,460 -0.339,461 2.247,462 0.21,463 -0.786,464 -1.069,466 -2.206,467 -0.749,468 11.581,469 0.483,470 0.789,471 0.033,472 33.5,473 1.396,474 18,475 0.75,476 15.5,477 0.646,478 18.668,479 0.778,480 24.419,481 0.643,482 24.709,483 1.03,484 6.67,485 0.278,486 4.8,487 0.2,488 0.206,490 0.458,496 0.594,497 1.014,498 0.558,499 0.793,500 0.688,501 0.775,502 0.657,503 1.17,504 0.535,505 0.832,506 0.557,507 0.738,508 1.014,509 1.271,510 0.918,511 1.058,512 0.909,513 0.959,514 1.165,515 1.12,516 0.828,517 0.946,518 1.194,519 0.91,520 1.243,521 0.961,522 0.816,523 0.868,524 1.291,525 0.87,526 1.347,527 1.011,528 1.018,529 1.008,530 1.312,531 1.102,532 0.855,533 0.874,534 1.017,535 1.062,536 0.982,537 1.114,538 0.833,539 0.842,540 1.291,541 1.17,542 0.851,543 1.224,544 5,545 0.033,546 3.333,547 2.507,548 2.637,549 1.251,550 0.633,551 0.398,552 0.168,553 0.118,554 5586,555 16977,556 2.085,557 36.8,558 3,559 7,562 1,563 3,567 1.676,568 1.895,569 3.075,570 -0.301,572 1,577 64.305,578 1.692,579 3.648,580 4.145,581 4.715,582 4.787,583 4.787,584 2.634,585 4.168,586 4.553,587 3.174,588 875.942,589 7.896,590 9569.59,592 1,594 1,595 199.421,596 1.516,597 4.49,598 0.185,599 0.007,600 0.081,601 0.056,602 0.061,603 0.034,604 0.021,605 0.018,606 0.012,607 0.013,608 0.488,609 0.33,610 1,611 0.663,612 110.247,613 0.098,614 0.075,615 0.019,616 0.064,617 -0.095,618 0.033,619 0.027,620 -0.103,621 0.149,622 0.055,623 0.024,624 0.132,625 -0.059,626 -0.184,627 -0.089,628 -0.179,629 -0.051,630 -0.118,631 0.025,632 -0.052,633 -0.009,634 -0.056,635 0.027,636 -0.039,637 0.016,638 0.054,639 0.047,640 0.059,641 0.113,642 0.038,643 -0.204,644 -0.007,645 -0.17,646 -0.08,647 -0.133,648 -0.202,649 0.019,650 0.028,651 0.014,652 -0.034,653 -0.056,654 -0.047,655 -0.063,656 0.012,657 -0.156,658 -0.097,659 -0.058,660 -0.095,661 1.858,662 5.876,663 0.792,664 17.083,665 1.015,666 1.114,667 3.51,668 12.32,669 0.72,670 3.332,671 3.738,672 4.094,673 4.454,674 4.771,675 4.92,676 5.075,677 5.247,678 5.357,679 5.288,680 4.992,681 0.697,682 339.8,683 3.332,684 4.92,685 5.82,686 6.751,687 7.676,688 8.613,689 9.548,690 10.49,691 11.43,692 12.375,693 7.9,701 2,703 1,709 7,710 1,714 8,715 1,716 17,721 1,734 1,735 38,737 18,738 2,739 27,741 41,742 18,743 15,744 5,745 7,746 1,748 4,749 7,750 1,754 2,762 16,763 2,767 1,772 1,776 1,780 1,783 14,784 4,785 1,786 6,787 1,792 3,797 0.5,798 2,807 1,815 1,816 3,819 1,820 1,841 1,843 2,847 2,848 1,851 24,857 1,864 1,873 1,874 5.3,875 1,877 1,881 12.667,882 7.693,883 5.083,884 2.22,886 3.318,887 1.435,888 1.003,889 3.407,890 10.947,891 3.624,892 4.307,893 4.969,894 5.612,895 6.177,896 6.538,897 6.978,898 7.427,899 7.852,900 8.103,901 1,902 45,903 8.88,905 3.961,906 7.88,907 16.606,909 13.987,911 2.38,912 57.111,916 153.024,917 112.773,918 18.44,919 39.149,920 67.951,923 112.773,924 260.124,925 18.44,926 17.65,928 109.139,929 46.941,930 25.432,932 153.024,933 39.149,934 153.024,935 131.213,936 67.951,937 39.149,939 153.024,940 25.145,941 42.806,943 24.512,944 90.038,945 55.812,947 153.024,948 86.39,949 151.922,952 153.024,953 28.789,954 85.761,956 123.762,957 153.024,958 86.39,959 151.922,961 0.604,962 0.368,963 0.208,964 0.126,965 23,966 11,967 0.024,968 1,969 2,970 1.211,971 3.415,972 217.19,973 0.211,974 19,975 106.039,981 15.242,982 5.365,983 2.258,985 84.614,986 12.544,987 4.46,991 4.378,992 1.583,993 42.806,994 391.336,995 36.5,1000 12.876,1004 -0.191,1007 38.585,1008 42.349,1009 0.322,1010 0.695,1011 0.79,1012 0.898,1013 0.912,1014 0.912,1015 4.9,1016 1.233,1017 5.855,1018 4.985,1019 4.419,1020 4.994,1021 1.863,1022 6.77,1023 4.352,1024 6.156,1025 1,1026 7.482,1027 3.72,1028 4.205,1029 4.945,1030 1.404,1031 7.861,1032 4.084,1033 7.502,1034 0.987,1035 9.207,1036 2.514,1037 6.111,1038 7.262,1039 2.76,1040 11.044,1041 5.989,1042 8.884,1043 0.487,1044 10.99,1045 2.275,1046 6.686,1047 8.003,1048 2.703,1049 12.97,1050 6.525,1051 10.296,1052 -0.134,1053 12.811,1054 1.308,1055 8.121,1056 9.821,1057 3.793,1058 15.709,1059 7.949,1060 11.733,1061 -0.225,1062 14.659,1063 -0.322,1064 9.051,1065 10.934,1066 3.99,1067 17.987,1068 8.849,1069 13.188,1070 -0.548,1071 16.527,1072 -0.514,1073 10.325,1074 12.55,1075 4.893,1076 20.583,1077 10.105,1078 3.447,1079 -0.786,1080 18.412,1081 -1.364,1082 11.417,1083 13.848,1084 5.245,1085 23.011,1086 11.17,1087 2.906,1088 12.721,1089 20.31,1090 -2.206,1091 12.643,1092 15.38,1093 6.029,1094 25.562,1095 12.374,1096 2.595,1097 10.027,1098 22.219,1099 4.478,1100 13.808,1101 16.77,1102 6.476,1103 28.053,1104 13.512,1105 2.405,1106 8.689,1107 24.138,1108 3.943,1109 15.024,1110 18.269,1111 7.186,1112 30.592,1113 14.704,1114 2.222,1115 7.482,1116 26.064,1117 3.58,1118 16.222,1119 19.706,1120 7.691,1121 33.11,1122 15.876,1123 2.013,1124 6.056,1125 27.997,1126 3.022,1127 17.441,1128 21.193,1129 8.356,1130 35.648,1131 17.07,1132 1.658,1133 5.725,1134 29.935,1135 2.874,1136 18.655,1137 22.654,1138 8.896,1139 38.178,1140 18.258,1141 5384,1142 9537,1143 17.63,1144 27.352,1145 42.766,1146 45.293,1147 44.791,1148 42.147,1149 41.907,1150 55.95,1151 3.625,1152 131.001,1153 40.411,1154 5.641,1155 6.221,1156 6.634,1157 5.471,1158 5.447,1159 7.478,1160 3.225,1161 20.721,1162 5.358,1163 13.265,1164 1.584,1165 1.678,1166 1.659,1167 1.561,1168 1.552,1169 2.072,1170 0.134,1171 4.852,1172 1.497,1173 4.111,1174 4.146,1175 4.118,1176 3.993,1177 7.427,1178 4.01,1179 3.899,1180 3.923,1181 3.927,1182 3.841,1183 6.473,1184 3.837,1185 3.721,1186 3.759,1187 3.736,1188 3.621,1189 4.955,1190 3.627,1191 3.219,1192 3.293,1193 3.365,1194 3.054,1195 4.883,1196 3.053,1197 3.174,1198 3.22,1199 3.123,1200 2.993,1201 4.624,1202 2.992,1203 3.068,1204 3.102,1205 2.952,1206 2.853,1207 4.241,1208 2.867,1209 2.857,1210 2.941,1211 2.834,1212 2.735,1213 3.886,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.664,1219 3.674,1220 2.649,1221 0.177,1222 0.156,1223 0.267,1224 0.164,1225 0.128,1226 4.767,1227 0.166,1228 4.221,1229 0.067,1230 7.219,1231 0.471,1232 4.419,1233 0.124,1234 3.447,1235 4.478,1236 1.812,1237 12.721,1238 3.358,1239 1.957,1240 1.939,1241 2.044,1242 2.063,1243 1.171,1244 2.053,1245 1.906,1246 1.881,1247 1.986,1248 1.994,1249 1.122,1250 1.998,1251 1.557,1252 1.528,1253 1.734,1254 1.698,1255 0.847,1256 1.71,1257 1.377,1258 1.309,1259 1.568,1260 1.614,1261 0.667,1262 1.596,1263 1.13,1264 1.063,1265 1.378,1266 1.356,1267 0.476,1268 1.383,1269 0.971,1270 0.926,1271 1.181,1272 1.241,1273 0.222,1274 1.211,1275 0.886,1276 0.821,1277 1.164,1278 1.078,1279 0.218,1280 1.107,1281 0.782,1282 0.722,1283 0.984,1284 1.062,1285 0.055,1286 1.053,1287 4.007,1289 5.389,1290 2.398,1291 6.974,1292 4.844,1293 8.659,1294 7.066,1295 10.401,1297 3.75,1298 5.999,1302 10.709,1309 1.002,1314 26.482,1315 64.305,1316 138.609,1317 157.505,1318 179.157,1319 181.911,1320 181.911,1321 43.352,1322 7.629,1323 60.05,1324 60.05,1325 23,1326 12.868,1327 4.248,1328 3.392,1329 33.62,1330 71,1331 84,1332 0.243,1333 164.221,1334 279.85,1335 392.458,1336 19135,1337 2.6,1338 17.008,1339 0.709,1340 0.578,1341 17.508,1342 13.872,1343 11.469,1344 0.425,1345 0.291,1346 7.416,1347 10.789,1348 7.143,1349 5.923,1350 11.758,1351 7.849,1352 11.016,1353 0.269,1354 0.153,1355 11.424,1356 6.27,1357 9.688,1358 0.164,1359 0.075,1360 9.95,1361 4.409,1362 8.515,1363 0.1,1364 0.037,1365 8.734,1366 3.138,1367 7.45,1368 0.064,1369 0.02,1370 7.741,1371 2.291,1372 0.361,1373 74.713,1374 0.238,1375 22.6,1376 0.73,1377 136,1378 403.024,1379 162.998,1380 425.01,1381 580.26,1382 394,1383 168,1384 426.002,1385 192.095,1386 438.707,1387 649.79,1388 413,1389 5.1}
{0 CHEMBL1991180,1 1.864,2 10.571,3 0.548,4 0.3,5 99.94,6 8.827,7 0.533,8 3.955,9 4.067,10 3.628,11 3.305,12 5.33,13 3.378,14 4.377,15 4.526,16 3.959,17 3.633,18 5.699,19 3.704,20 4.498,21 4.642,22 4.031,23 3.706,24 5.92,25 3.767,26 4.676,27 4.861,28 4.094,29 3.732,30 6.13,31 3.793,32 4.653,33 4.843,34 3.985,35 3.677,36 6.059,37 3.725,38 4.603,39 4.81,40 3.89,41 3.589,42 6.023,43 3.629,44 4.502,45 4.671,46 3.797,47 3.536,48 5.977,49 3.582,50 4.47,51 4.684,52 3.68,53 3.556,54 5.665,55 3.563,56 0.379,57 0.686,58 7.141,59 3.065,60 29.48,61 3.501,62 0.614,63 0.976,64 13.385,65 4.613,66 42.453,67 5.863,68 0.738,69 1.052,70 13.985,71 4.877,72 61.198,73 6.127,74 1.037,75 1.096,76 20.231,77 5.264,78 88.747,79 7.438,80 1.053,81 1.036,82 20.476,83 5.074,84 99.062,85 7.132,86 1.046,87 0.918,88 21.05,89 4.917,90 98.517,91 7.211,92 1.074,93 0.862,94 17.633,95 4.294,96 109.844,97 5.392,98 0.776,99 0.876,100 18.283,101 4.638,102 70.918,103 6.68,104 39,105 42,106 0.321,107 0.751,108 0.845,109 0.879,110 0.887,111 0.887,112 3.375,113 0.781,114 -2.2,115 -2.25,116 -2.22,119 34.1,120 1,124 1,125 1,142 3,143 1,144 2,146 1,147 2,152 1,157 1,158 1,163 1,164 1,165 1,166 4,168 1,172 2,174 3,175 2,177 1,178 2,180 4,183 4,187 6,188 1,190 3,191 4,193 4,196 2,199 8,200 2,202 1,203 4,204 1,205 4,208 2,212 6,213 2,215 1,216 3,217 1,218 2,224 5,225 3,227 1,228 4,229 1,230 1,232 1,237 4,238 7,240 2,241 3,242 1,250 8,253 1,264 10,267 3,269 2,274 2,276 1270,277 18.629,278 18.629,279 18.629,280 18.629,281 18.629,282 16.201,283 23.907,284 10.923,285 19.126,286 14.709,287 14.709,288 14.709,289 14.709,290 14.709,291 11.111,292 26.855,293 5.023,294 15.419,295 3.596,296 1.097,297 0.551,298 0.352,299 0.307,300 0.307,301 4.048,305 1,306 1,307 623,308 3.742,311 165.276,312 102.646,319 1.49,320 41.777,323 0.75,324 0.83,325 0.83,326 0.3,328 0.67,329 0.5,330 0.55,331 65,332 296,333 4.607,334 3.654,335 6.931,336 4.211,337 3.253,338 4.321,339 1.151,340 11.657,341 3.116,342 4.359,343 3.219,344 6.399,345 3.958,346 2.982,347 4.002,348 0.98,349 9.685,350 2.908,351 4.106,352 3.113,353 6.174,354 3.691,355 2.733,356 3.692,357 0.782,358 8.92,359 2.61,360 3.713,361 2.785,362 5.18,363 3.272,364 2.314,365 3.084,367 6.328,368 2.209,369 3.434,370 2.649,371 5.07,372 3.066,373 2.084,374 2.654,376 5.816,377 2.033,378 3.163,379 2.216,380 4.975,381 2.779,382 1.842,383 2.35,385 5.336,386 1.722,387 3.143,388 2.172,389 4.639,390 2.683,391 1.736,392 2.321,394 4.642,395 1.632,396 2.724,397 1.674,398 3.977,399 2.23,400 1.252,401 1.79,403 3.178,404 1.221,405 2.563,406 1.433,407 3.841,408 2.107,409 1.163,410 1.588,412 2.728,413 1.098,414 2.41,415 1.211,416 3.643,417 2.008,418 1.101,419 1.377,421 2.263,422 0.988,423 2.266,424 1.052,425 3.402,426 1.839,427 0.868,428 1.144,430 2.207,431 0.838,432 2.053,433 0.922,434 3.153,435 1.657,436 0.742,437 0.967,439 1.561,440 0.676,441 1.608,442 0.886,443 2.904,444 1.339,445 0.321,446 0.392,448 0.711,449 0.323,450 1.141,451 0.25,452 2.442,453 0.797,454 -0.153,455 -0.183,457 -0.344,458 -0.143,459 0.874,460 0.211,461 2.359,462 0.612,463 -0.334,464 -0.38,466 -0.604,467 -0.309,468 12.367,469 0.442,470 0.754,471 0.027,472 37.25,473 1.33,474 18.5,475 0.661,476 18.75,477 0.67,478 20.72,479 0.74,480 31.433,481 0.714,482 31.757,483 1.134,484 8.06,485 0.288,486 5.357,487 0.191,488 0.194,490 0.396,496 0.844,497 1.158,498 0.702,499 1.036,500 0.895,501 0.86,502 0.906,503 1.268,504 0.638,505 1.018,506 0.673,507 0.793,508 0.852,509 1.217,510 0.888,511 1.186,512 1.048,513 1.079,514 0.844,515 1.05,516 0.884,517 1.036,518 0.822,519 0.979,520 1.01,521 1.084,522 1.028,523 1.044,524 1.213,525 1.042,526 0.922,527 0.877,528 0.957,529 0.911,530 1.05,531 0.929,532 1.284,533 0.864,534 1.258,535 0.857,536 1.468,537 1.015,538 1.053,539 1.017,540 1.039,541 0.94,542 0.992,543 0.956,544 5.5,545 0.186,546 4,547 2.563,548 1.713,549 1.035,550 0.58,551 0.422,552 0.386,553 0.225,554 9102,555 34747,556 1.993,557 36.4,559 8,562 5,563 3,567 1.714,568 1.826,569 3.349,570 2.679,572 1,577 82.002,578 1.864,579 4.363,580 4.908,581 5.107,582 5.152,583 5.152,584 2.691,585 4.522,586 4.781,587 3.537,588 1336.83,589 8.329,590 17766.7,592 1,595 240.215,596 1.531,597 4.714,598 0.183,599 0.008,600 0.095,601 0.06,602 0.039,603 0.027,604 0.017,605 0.013,606 0.013,607 0.008,608 0.462,609 0.17,610 0.88,611 0.991,612 140.213,613 -0.026,614 0.128,615 0.009,616 0.064,617 -0.161,618 0.043,619 -0.061,620 -0.117,621 0.188,622 0.059,623 0.013,624 0.173,625 0.02,626 -0.039,627 -0.083,628 -0.162,629 -0.093,630 -0.174,631 0.102,632 -0.011,633 0.049,634 -0.099,635 0.126,636 -0.057,637 -0.03,638 -0.081,639 -0.07,640 -0.111,641 -0.114,642 -0.112,643 0.072,644 0.068,645 0.056,646 0.014,647 0.075,648 0.033,649 -0.139,650 0.124,651 -0.3,652 0.076,653 -0.149,654 -0.123,655 -0.197,656 -0.037,657 -0.06,658 0.057,659 -0.153,660 0.066,661 2.35,662 5.707,663 0.571,664 24.571,665 1.045,666 1.152,667 0.975,668 0.95,669 0.645,670 3.434,671 3.761,672 4.043,673 4.304,674 4.382,675 4.454,676 4.443,677 4.454,678 4.489,679 4.419,680 6.45,681 0.656,682 388.39,683 3.434,684 4.977,685 5.832,686 6.718,687 7.592,688 8.484,689 9.366,690 10.261,691 11.146,692 12.042,693 18.2,697 1,700 1,701 1,702 1,703 4,709 3,710 4,712 1,714 7,715 1,716 16,727 1,732 2,735 44,737 18,738 1,739 30,741 46,742 15,743 10,744 3,745 3,746 2,748 3,749 3,751 1,754 1,762 12,763 3,767 2,772 1,775 1,776 2,780 1,783 16,784 12,785 5,786 13,792 8,797 1,798 5,815 2,816 1,842 1,843 3,847 2,851 28,852 1,857 2,858 1,860 1,861 1,871 1,874 11.4,876 2,877 1,878 1,879 1,881 15.333,882 8.433,883 6.278,884 2.166,886 3.323,887 1.468,888 0.908,889 5.889,890 10.42,891 3.714,892 4.331,893 4.92,894 5.501,895 5.823,896 6.125,897 6.353,898 6.6,899 6.846,900 6.998,901 0.857,902 43,903 10.248,905 4.366,906 8.214,907 18.313,909 14.096,911 2.714,912 76,916 129.482,917 73.546,918 141.622,920 131.472,923 73.546,924 260.955,925 141.622,926 19.708,927 22.481,928 61.326,929 201.37,930 34.343,931 7.413,932 129.482,934 129.482,935 215.167,936 131.472,939 129.482,940 120.473,941 11,943 52.502,944 90.269,945 72.397,947 129.482,948 273.094,949 73.546,952 129.482,953 25.409,954 49.914,955 17.888,956 253.429,957 129.482,958 273.094,959 73.546,961 0.58,962 0.349,963 0.195,964 0.096,965 19,966 10,967 0.13,968 6,970 1,971 3.838,972 238.369,974 16,975 134.606,981 19.753,982 8.347,983 4.143,985 271.318,986 3.998,987 14.759,989 4.53,991 0.11,992 1.054,993 136.152,994 476.122,995 40,1000 12.707,1003 3.962,1004 -0.391,1007 45.985,1008 50.694,1009 0.341,1010 0.799,1011 0.899,1012 0.935,1013 0.944,1014 0.944,1015 4.949,1016 1.252,1017 5.832,1018 4.642,1019 4.443,1020 5.017,1021 1.916,1022 6.673,1023 4.358,1024 6.178,1025 1.163,1026 7.416,1027 3.178,1028 4.111,1029 4.89,1031 7.673,1032 3.986,1033 7.501,1034 1.101,1035 9.105,1036 2.728,1037 6.061,1038 7.236,1039 1.96,1040 10.797,1041 5.905,1042 8.864,1043 0.868,1044 10.854,1045 2.263,1046 6.567,1047 7.955,1049 12.65,1050 6.369,1051 10.26,1052 0.742,1053 12.643,1054 2.207,1055 7.997,1056 9.755,1057 2.064,1058 15.302,1059 7.767,1060 11.678,1061 0.321,1062 14.46,1063 1.561,1064 8.866,1065 10.854,1067 17.495,1068 8.594,1069 13.114,1070 -0.153,1071 16.298,1072 0.711,1073 10.109,1074 12.439,1075 2.212,1076 19.996,1077 9.804,1078 3.253,1079 -0.334,1080 18.151,1081 -0.344,1082 11.136,1083 13.714,1085 22.328,1086 10.789,1087 2.982,1088 11.657,1089 20.016,1090 -0.604,1091 12.314,1092 15.21,1093 2.394,1094 24.782,1095 11.931,1096 2.733,1097 9.685,1098 21.89,1099 4.321,1100 13.411,1101 16.569,1103 27.175,1104 12.986,1105 2.314,1106 8.92,1107 23.772,1108 4.002,1109 14.568,1110 18.03,1111 2.6,1112 29.617,1113 14.104,1114 2.084,1115 6.328,1116 25.661,1117 3.692,1118 15.696,1119 19.429,1121 32.038,1122 15.191,1123 1.842,1124 5.816,1125 27.554,1126 3.084,1127 16.85,1128 20.876,1129 2.825,1130 34.48,1131 16.304,1132 1.736,1133 5.336,1134 29.452,1135 2.654,1136 17.994,1137 22.297,1139 36.915,1140 17.406,1141 8996,1142 17765,1143 19.304,1144 28.364,1145 45.629,1146 45.91,1147 47.778,1148 44.893,1149 44.781,1150 59.364,1151 5.826,1152 130.068,1153 42.748,1154 5.423,1155 5.654,1156 6.697,1157 5.274,1158 5.253,1159 7.321,1160 2.302,1161 19.061,1162 5.116,1163 16.725,1164 1.521,1165 1.53,1166 1.593,1167 1.496,1168 1.493,1169 1.979,1170 0.194,1171 4.336,1172 1.425,1173 4.02,1174 4.073,1175 4.009,1176 3.862,1177 7.429,1178 3.873,1179 3.925,1180 3.948,1181 3.885,1182 3.752,1183 6.493,1184 3.799,1185 3.686,1186 3.728,1187 3.664,1188 3.397,1189 6.446,1190 3.456,1191 3.49,1192 3.555,1193 3.414,1194 3.275,1195 5.443,1196 3.292,1197 3.334,1198 3.391,1199 3.186,1200 3.028,1201 5.026,1202 3.058,1203 3.133,1204 3.202,1205 3.048,1206 2.789,1207 4.848,1208 2.838,1209 2.951,1210 2.978,1211 2.836,1212 2.746,1213 4.724,1214 2.752,1215 2.843,1216 2.967,1217 2.676,1218 2.621,1219 4.578,1220 2.626,1221 0.154,1222 0.122,1223 0.231,1224 0.14,1225 0.108,1226 4.607,1227 0.144,1228 3.654,1229 0.038,1230 6.931,1231 0.389,1232 4.211,1233 0.104,1234 3.253,1235 4.321,1236 1.151,1237 11.657,1238 3.116,1239 1.897,1240 1.88,1241 1.986,1242 2.007,1243 1.086,1244 1.998,1245 1.662,1246 1.63,1247 1.754,1248 1.879,1249 0.928,1250 1.835,1251 1.432,1252 1.372,1253 1.665,1254 1.729,1255 0.71,1256 1.691,1257 1.416,1258 1.354,1259 1.588,1260 1.666,1261 0.609,1262 1.653,1263 1.207,1264 1.148,1265 1.464,1266 1.541,1267 0.498,1268 1.502,1269 1.036,1270 0.942,1271 1.293,1272 1.461,1273 0.212,1274 1.396,1275 0.919,1276 0.853,1277 1.143,1278 1.328,1279 0.163,1280 1.296,1281 0.883,1282 0.84,1283 1.092,1284 1.173,1285 0.04,1286 1.133,1287 4.111,1289 5.434,1290 3.045,1291 6.94,1292 5.352,1293 8.537,1294 7.402,1295 10.185,1297 3,1301 5.657,1302 19.251,1303 -0.005,1305 2.345,1306 5.022,1314 28.852,1315 82.002,1316 191.95,1317 215.95,1318 224.705,1319 226.705,1320 226.705,1321 67.891,1322 7.098,1323 186.8,1324 186.8,1325 16,1326 12.569,1327 4.248,1328 3.459,1329 49.561,1330 107,1331 114,1332 0.223,1333 180.464,1334 306.47,1335 432.093,1336 10926,1338 20.259,1339 0.724,1340 0.529,1341 20.259,1342 14.819,1343 13.418,1344 0.447,1345 0.26,1346 7.577,1347 12.41,1348 7.413,1349 6.197,1350 13.418,1351 7.809,1352 12.031,1353 0.286,1354 0.132,1355 12.031,1356 5.542,1357 10.01,1358 0.179,1359 0.065,1360 10.01,1361 3.629,1362 8.511,1363 0.117,1364 0.032,1365 8.511,1366 2.334,1367 5.825,1368 0.074,1369 0.016,1370 5.825,1371 1.276,1372 0.348,1373 87.998,1374 0.228,1375 26.599,1376 0.619,1377 144,1378 587.022,1379 169.835,1380 553.156,1381 738.54,1382 510,1383 170,1384 556.01,1385 198.529,1386 549.134,1387 787.64,1388 509,1389 5.3}
{0 CHEMBL1991188,1 1.592,2 11.571,3 3.54,4 12.529,5 104.688,6 7.764,7 0.6,8 3.983,9 4.085,10 3.575,11 3.525,12 5.184,13 3.518,14 4.48,15 4.634,16 3.899,17 3.869,18 5.651,19 3.853,20 4.668,21 4.829,22 4.023,23 4.021,24 5.881,25 3.991,26 4.782,27 4.957,28 4.01,29 4.045,30 6.027,31 3.993,32 4.874,33 5.091,34 3.918,35 4.022,36 6.023,37 3.951,38 4.784,39 4.993,40 3.824,41 3.923,42 5.938,43 3.855,44 4.687,45 4.907,46 3.753,47 3.843,48 5.825,49 3.767,50 4.658,51 4.897,52 3.651,53 3.754,54 5.905,55 3.665,56 0.056,57 0.72,58 9.046,59 4.611,60 8.145,61 5.468,62 0.309,63 1.115,64 17.656,65 7.262,66 30.449,67 8.75,68 0.343,69 1.401,70 21.352,71 8.929,72 43.936,73 10.807,74 0.439,75 1.482,76 24.72,77 10.137,78 52.607,79 12.493,80 0.567,81 1.54,82 30.084,83 10.991,84 77.214,85 13.783,86 0.639,87 1.347,88 27.426,89 9.675,90 75.512,91 12.107,92 0.498,93 1.226,94 24.778,95 9.112,96 53.008,97 11.894,98 0.584,99 1.245,100 25.223,101 8.968,102 91.497,103 11.727,104 30,105 41,106 0.268,107 0.592,108 0.767,109 0.863,110 0.877,111 0.898,112 3.374,113 0.876,114 -4.09,115 -4.03,116 -3.82,119 44.9,120 1,124 2,127 1,142 8,143 4,144 3,145 2,158 1,172 10,175 6,178 1,180 3,183 12,188 6,193 3,196 9,199 1,200 8,203 1,205 3,208 5,213 7,216 1,218 2,221 6,225 5,230 1,233 7,237 2,238 6,243 1,246 8,250 2,258 7,263 2,264 3,267 1,272 7,276 1258,277 18.947,278 18.947,279 18.947,280 18.947,281 18.947,282 16.691,283 18.962,284 11.106,285 19.453,286 14.642,287 14.642,288 14.642,289 14.642,290 14.642,291 11.144,292 24.013,293 5.055,294 15.253,295 4.022,296 2.106,297 1.067,298 0.495,299 0.414,300 0.291,301 4.054,304 1,305 1,306 1,307 683,308 3.536,312 309.346,319 1.857,320 33.15,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 61.5,332 324,333 4.455,334 3.625,335 6.539,336 4.081,337 3.097,338 4.139,339 1.081,340 10.278,341 3.046,342 4.227,343 3.198,344 6.372,345 3.889,346 2.909,347 3.785,348 0.86,349 9.648,350 2.848,351 4.133,352 3.094,353 6.062,354 3.768,355 2.789,356 3.713,357 0.86,358 8.755,359 2.732,360 3.618,361 2.838,362 5.286,363 3.278,364 2.335,365 2.931,366 0.473,367 6.66,368 2.194,369 3.467,370 2.678,371 5.163,372 3.069,373 2.098,374 2.747,376 6.08,377 2.02,378 3.194,379 2.251,380 4.881,381 2.791,382 1.847,383 2.378,385 5.189,386 1.728,387 2.862,388 1.673,389 4.188,390 2.395,391 1.433,392 2.02,394 3.677,395 1.371,396 2.794,397 1.619,398 3.915,399 2.347,400 1.414,401 1.899,403 3.152,404 1.308,405 2.715,406 1.564,407 3.719,408 2.235,409 1.25,410 1.796,412 2.875,413 1.225,414 2.548,415 1.151,416 3.582,417 2.06,418 1.085,419 1.559,421 2.652,422 1.056,423 2.307,424 1.111,425 3.46,426 1.904,427 0.899,428 1.21,430 2.241,431 0.898,432 1.647,433 0.939,434 2.894,435 1.341,436 0.461,437 0.524,439 0.723,440 0.4,441 1.583,442 0.935,443 2.692,444 1.292,445 0.426,446 0.479,448 0.62,449 0.366,450 1.211,451 0.383,452 2.653,453 0.827,454 -0.095,455 -0.117,457 -0.213,458 -0.085,459 0.861,460 0.272,461 2.462,462 0.519,463 -0.437,464 -0.507,466 -1.005,467 -0.402,468 13.086,469 0.467,470 0.644,471 0.023,472 38,473 1.357,474 20.5,475 0.732,476 17.5,477 0.625,478 21.125,479 0.754,480 30.114,481 0.615,482 30.531,483 1.09,484 7.982,485 0.285,486 5.547,487 0.198,488 0.162,490 0.344,494 1,496 0.701,497 1.095,498 0.73,499 1.091,500 0.575,501 0.951,502 0.986,503 0.904,504 0.824,505 0.837,506 0.668,507 0.802,508 0.974,509 1.049,510 0.936,511 1.049,512 0.929,513 0.996,514 0.913,515 1.178,516 1.028,517 1.218,518 1.015,519 1.168,520 1.133,521 0.994,522 1.051,523 1.003,524 1.283,525 1.009,526 1.138,527 0.888,528 1.105,529 0.978,530 1.136,531 1.022,532 0.837,533 0.891,534 0.924,535 0.982,536 0.743,537 0.978,538 0.913,539 0.925,540 0.947,541 0.979,542 1.033,543 0.975,544 5.5,545 0.145,546 3.556,547 2.188,548 1.578,549 1.208,550 0.671,551 0.396,552 0.251,553 0.219,554 9548,555 28932,556 2.013,557 42.9,559 15,561 2,562 1,564 3,567 1.71,568 1.867,569 3.498,570 -0.358,572 1,577 78.02,578 1.592,579 3.509,580 4.548,581 5.12,582 5.201,583 5.324,584 2.937,585 4.423,586 4.778,587 3.655,588 1381.64,589 8.308,590 18369.1,592 1,594 1,595 275.121,596 1.47,597 4.727,598 0.183,599 0.007,600 0.087,601 0.049,602 0.038,603 0.032,604 0.02,605 0.012,606 0.009,607 0.01,608 0.446,609 0.33,610 1,611 0.887,612 141.178,613 -0.032,614 -0.09,615 0.04,616 -0.061,617 -0.051,618 -0.005,619 -0.077,620 0.059,621 0.064,622 0.152,623 0.002,624 0.142,625 -0.05,626 -0.008,627 -0.041,628 -0.052,629 -0.02,630 -0.046,631 0.026,632 -0.199,633 -0.106,634 -0.228,635 0.007,636 -0.207,637 -0.098,638 -0.041,639 -0.052,640 -0.028,641 -0.11,642 -0.03,643 -0.07,644 -0.002,645 -0.109,646 -0.022,647 -0.081,648 -0.062,649 0.059,650 -0.052,651 0.057,652 -0.014,653 0.071,654 0.012,655 0.106,656 0.054,657 0.082,658 0.001,659 0.153,660 0.028,661 2.103,662 5.999,663 0.643,664 27.357,665 1.011,666 1.125,667 2.857,668 8.164,669 0.672,670 3.434,671 3.738,672 4.007,673 4.22,674 4.407,675 4.407,676 4.511,677 4.522,678 4.533,679 4.554,680 6.779,681 0.65,682 380.45,683 3.434,684 4.963,685 5.808,686 6.676,687 7.536,688 8.408,689 9.274,690 10.147,691 11.015,692 11.89,693 4.1,700 1,703 1,709 10,710 1,714 7,716 18,723 1,733 2,734 1,735 49,737 19,738 2,739 30,741 51,742 22,743 17,744 5,745 7,746 1,748 3,749 3,754 1,760 1,762 18,763 4,767 1,772 1,776 1,779 1,780 1,781 1,783 21,784 6,785 1,786 6,792 2,797 1,798 3,809 1,816 3,843 3,847 3,849 1,851 28,860 1,861 2,863 1,873 1,874 6.1,877 1,879 2,881 15,882 9.76,883 6.389,884 2.718,886 3.081,887 1.431,888 0.957,889 6.274,890 10.232,891 3.714,892 4.297,893 4.877,894 5.416,895 5.929,896 6.08,897 6.454,898 6.705,899 6.962,900 7.215,901 0.875,902 45,903 10.355,905 4.343,906 7.935,907 19.266,909 15.165,911 2.435,912 68.167,914 1,915 1,916 235.422,917 161.551,918 34.796,920 47.145,921 14.96,923 161.551,924 282.567,925 49.756,926 30.591,927 18.011,928 75.81,929 70.177,930 72.445,931 14.96,932 211.88,934 235.422,935 196.347,936 62.105,939 215.069,940 82.458,943 44.931,944 134.631,945 16.786,947 250.382,948 81.941,949 161.551,952 235.422,953 37.055,954 124.496,955 18.011,956 78.89,957 235.422,958 96.901,959 161.551,961 0.574,962 0.351,963 0.187,964 0.098,965 18,966 9,967 0.118,968 6,970 1,971 3.891,972 235.028,974 18,975 134.606,981 19.842,982 8.853,983 4.512,985 96.901,986 16.705,987 3.753,991 2.939,993 18.011,994 493.874,995 40,1000 12.771,1004 -0.283,1007 49.534,1008 55.117,1009 0.284,1010 0.625,1011 0.81,1012 0.912,1013 0.926,1014 0.948,1015 4.931,1016 1.414,1017 5.79,1018 3.677,1019 4.419,1020 4.984,1021 1.908,1022 6.594,1023 4.351,1024 6.135,1025 1.25,1026 7.352,1027 3.152,1028 4.007,1029 4.732,1031 7.506,1032 3.926,1033 7.437,1034 1.085,1035 9.014,1036 2.875,1037 6.009,1038 7.158,1039 1.795,1040 10.586,1041 5.899,1042 8.775,1043 0.899,1044 10.735,1045 2.652,1046 6.415,1047 7.703,1049 12.303,1050 6.292,1051 10.144,1052 0.461,1053 12.492,1054 2.241,1055 7.88,1056 9.604,1057 1.763,1058 14.894,1059 7.74,1060 11.534,1061 0.426,1062 14.274,1063 0.723,1064 8.658,1065 10.533,1067 16.939,1068 8.502,1069 12.941,1070 -0.095,1071 16.074,1072 0.62,1073 9.906,1074 12.193,1075 1.78,1076 19.353,1077 9.736,1078 3.097,1079 -0.437,1080 17.886,1081 -0.213,1082 10.856,1083 13.326,1085 21.539,1086 10.671,1087 2.909,1088 10.278,1089 19.708,1090 -1.005,1091 12.014,1092 14.863,1093 1.832,1094 23.885,1095 11.815,1096 2.789,1097 9.648,1098 21.537,1099 4.139,1100 13.044,1101 16.108,1103 26.134,1104 12.829,1105 2.335,1106 8.755,1107 23.372,1108 3.785,1109 14.167,1110 17.58,1111 1.909,1112 28.454,1113 13.937,1114 2.098,1115 6.66,1116 25.211,1117 3.713,1118 15.235,1119 18.889,1121 30.733,1122 14.989,1123 1.847,1124 6.08,1125 27.055,1126 2.931,1127 16.344,1128 20.326,1129 2.006,1130 33.045,1131 16.083,1132 1.433,1133 5.189,1134 28.901,1135 2.747,1136 17.432,1137 21.673,1139 35.339,1140 17.154,1141 9366,1142 16447,1143 19.592,1144 32.926,1145 44.434,1146 45.881,1147 46.518,1148 44.026,1149 44.087,1150 58.358,1151 6.547,1152 125.105,1153 42.384,1154 5.336,1155 5.625,1156 6.224,1157 5.117,1158 5.097,1159 7.139,1160 2.162,1161 17.204,1162 5.046,1163 15.245,1164 1.481,1165 1.529,1166 1.551,1167 1.468,1168 1.47,1169 1.945,1170 0.218,1171 4.17,1172 1.413,1173 4.026,1174 4.048,1175 3.988,1176 3.951,1177 8.201,1178 3.956,1179 3.926,1180 3.952,1181 3.869,1182 3.856,1183 7.429,1184 3.855,1185 3.763,1186 3.793,1187 3.723,1188 3.639,1189 4.895,1190 3.654,1191 3.498,1192 3.557,1193 3.391,1194 3.31,1195 4.855,1196 3.316,1197 3.244,1198 3.31,1199 3.099,1200 2.99,1201 4.753,1202 3.009,1203 3.236,1204 3.3,1205 3.063,1206 2.957,1207 4.408,1208 2.969,1209 3.144,1210 3.189,1211 2.985,1212 2.936,1213 4.352,1214 2.94,1215 2.898,1216 2.957,1217 2.819,1218 2.733,1219 4.112,1220 2.734,1221 0.148,1222 0.121,1223 0.218,1224 0.136,1225 0.103,1226 4.455,1227 0.138,1228 3.625,1229 0.036,1230 6.539,1231 0.343,1232 4.081,1233 0.102,1234 3.097,1235 4.139,1236 1.081,1237 10.278,1238 3.046,1239 1.972,1240 1.955,1241 2.052,1242 2.066,1243 1.205,1244 2.061,1245 1.913,1246 1.889,1247 2.022,1248 2.011,1249 1.158,1250 2.015,1251 1.709,1252 1.681,1253 1.808,1254 1.86,1255 0.857,1256 1.844,1257 1.461,1258 1.399,1259 1.718,1260 1.685,1261 0.814,1262 1.694,1263 1.193,1264 1.12,1265 1.567,1266 1.507,1267 0.571,1268 1.526,1269 1.185,1270 1.111,1271 1.563,1272 1.488,1273 0.57,1274 1.514,1275 1.076,1276 1.039,1277 1.26,1278 1.331,1279 0.28,1280 1.315,1281 0.86,1282 0.804,1283 1.12,1284 1.068,1285 0.193,1286 1.078,1287 4.111,1289 5.416,1291 6.929,1293 8.53,1295 10.175,1297 4.963,1299 13.999,1305 2.951,1306 10.602,1308 -0.232,1314 31.839,1315 78.02,1316 171.927,1317 222.856,1318 250.856,1319 254.856,1320 260.856,1321 61.793,1322 7.151,1323 60.45,1324 60.45,1325 18,1326 12.431,1327 4.322,1328 3.459,1329 49.743,1330 113,1331 114,1332 0.213,1333 197.123,1334 347.42,1335 472.741,1336 11808,1337 2,1338 20.096,1339 0.718,1340 0.568,1341 19.225,1342 15.901,1343 13.528,1344 0.451,1345 0.292,1346 8.601,1347 12.9,1348 8.313,1349 6.966,1350 13.118,1351 8.759,1352 11.722,1353 0.286,1354 0.152,1355 11.195,1356 6.242,1357 10.069,1358 0.186,1359 0.083,1360 9.603,1361 4.471,1362 8.15,1363 0.122,1364 0.044,1365 7.75,1366 2.924,1367 6.345,1368 0.078,1369 0.024,1370 6.129,1371 1.915,1372 0.336,1373 85.753,1374 0.226,1375 26.839,1376 0.581,1377 142,1378 507.296,1379 157.244,1380 457.577,1381 610.11,1382 428,1383 166,1384 431.145,1385 180.727,1386 434.603,1387 628.77,1388 405,1389 5.1}
{0 CHEMBL1991285,1 1.794,2 12.9,3 3.094,4 9.575,5 107.55,6 8.598,7 0.375,8 4.022,9 4.126,10 3.685,11 3.534,12 5.263,13 3.542,14 4.544,15 4.693,16 4.06,17 3.926,18 5.808,19 3.903,20 4.837,21 5.026,22 4.127,23 4.049,24 6.018,25 3.996,26 4.887,27 5.101,28 4.03,29 3.931,30 6.101,31 3.882,32 4.709,33 4.904,34 3.956,35 3.808,36 5.986,37 3.783,38 4.617,39 4.792,40 3.995,41 3.86,42 5.909,43 3.82,44 4.713,45 4.923,46 3.956,47 3.959,48 5.822,49 3.885,50 4.754,51 4.958,52 4.052,53 3.962,54 6.009,55 3.893,56 0.163,57 0.738,58 8.045,59 4.197,60 22.282,61 4.893,62 0.49,63 1.141,64 16.741,65 7.388,66 66.771,67 9.181,68 0.688,69 1.365,70 27.355,71 9.848,72 89.99,73 12.274,74 0.977,75 1.251,76 36.559,77 10.206,78 124.451,79 12.742,80 0.971,81 1.101,82 27.52,83 8.035,84 109.318,85 9.757,86 0.77,87 1.106,88 22.054,89 7.538,90 90.157,91 9.344,92 0.568,93 1.215,94 27.321,95 8.978,96 71.819,97 11.804,98 0.678,99 1.221,100 27.232,101 9.037,102 96.018,103 11.661,104 41,105 44,106 0.301,107 0.703,108 0.853,109 0.905,110 0.905,111 0.905,112 3.44,113 0.909,114 -2.85,115 -2.86,116 -2.76,119 40,120 1,121 3,122 2,125 1,142 2,143 1,144 3,145 2,146 1,147 1,158 2,159 1,167 1,170 1,172 7,173 1,175 3,178 4,179 1,180 2,183 9,184 2,187 2,188 6,191 2,193 3,196 4,197 2,199 2,200 6,203 1,205 5,208 1,212 2,213 2,214 1,216 2,218 3,221 4,224 1,225 3,228 2,230 4,233 7,237 1,238 4,243 4,246 7,247 1,249 2,250 6,253 1,255 3,256 1,258 4,259 2,264 8,267 1,268 1,269 4,272 2,273 1,276 1754,277 19.834,278 19.834,279 19.834,280 19.834,281 19.834,282 17.852,283 25.707,284 11.583,285 20.285,286 15.7,287 15.7,288 15.7,289 15.7,290 15.7,291 12.608,292 31.855,293 5.443,294 16.494,295 3.85,296 1.457,297 0.565,298 0.255,299 0.255,300 0.255,301 4.117,302 1,305 1,306 1,307 810,308 3.873,311 89.72,312 222.627,319 1.973,320 43.646,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 66.833,332 387,333 4.373,334 4.057,335 6.287,336 3.961,337 3.011,338 4.053,339 2.341,340 9.551,341 2.857,342 4.114,343 3.729,344 5.998,345 3.845,346 2.847,347 3.698,348 2.035,349 8.556,350 2.823,351 3.955,352 3.576,353 5.708,354 3.633,355 2.691,356 3.126,357 1.656,358 7.619,359 2.529,360 3.813,361 3.266,362 5.541,363 3.397,364 2.453,365 3.077,366 0.86,367 7.33,368 2.307,369 3.674,370 2.878,371 5.232,372 3.266,373 2.311,374 2.955,375 0.247,376 6.588,377 2.209,378 3.422,379 2.636,380 5.195,381 3.17,382 2.194,383 2.569,385 6.364,386 2.105,387 3.33,388 2.562,389 4.825,390 2.886,391 1.928,392 2.382,394 5.458,395 1.828,396 3.017,397 2.202,398 4.467,399 2.57,400 1.609,401 2.17,403 4.471,404 1.506,405 2.92,406 2.046,407 3.74,408 2.191,409 1.214,410 1.5,412 2.86,413 1.164,414 2.5,415 1.844,416 3.52,417 1.917,418 1,419 1.36,421 2.275,422 0.915,423 2.426,424 1.525,425 3.414,426 1.734,427 0.85,428 1.083,430 2.138,431 0.71,432 1.997,433 1,434 3.253,435 1.656,436 0.66,437 0.919,439 1.607,440 0.652,441 1.697,442 0.905,443 3.033,444 1.504,445 0.58,446 0.672,448 0.993,449 0.533,450 1.428,451 0.717,452 2.799,453 1.205,454 0.289,455 0.318,457 0.68,458 0.255,459 1.336,460 0.656,461 2.637,462 0.825,463 -0.086,464 -0.112,466 -0.182,467 -0.074,468 14.048,469 0.468,470 0.821,471 0.027,472 39.25,473 1.308,474 19.5,475 0.65,476 19.75,477 0.658,478 25.955,479 0.865,480 32.752,481 0.655,482 29.973,483 0.999,484 7.406,485 0.247,486 6.944,487 0.231,488 0.186,490 0.356,496 0.806,497 1.344,498 0.626,499 1.02,500 0.619,501 0.897,502 0.608,503 1.131,504 0.682,505 1.014,506 0.419,507 0.98,508 0.968,509 1.102,510 0.958,511 1.117,512 0.807,513 1.116,514 1.301,515 0.923,516 1.133,517 1.014,518 1.088,519 0.969,520 1.266,521 0.849,522 0.931,523 0.826,524 1.139,525 0.866,526 0.856,527 1.014,528 0.872,529 0.995,530 0.88,531 1.024,532 0.796,533 1.043,534 1.037,535 1.05,536 0.676,537 1.026,538 0.87,539 1.02,540 0.987,541 1.046,542 0.78,543 1.055,544 7.5,545 0.223,546 3.333,547 1.722,548 1.922,549 0.889,550 0.664,551 0.536,552 0.394,553 0.368,554 11989,555 42893,556 1.993,557 40,558 9,559 4,561 2,562 3,563 1,564 1,567 1.729,568 1.837,569 3.631,570 0.966,571 1,572 1,577 89.706,578 1.794,579 4.187,580 5.079,581 5.389,582 5.389,583 5.389,584 3.111,585 4.415,586 4.874,587 3.804,588 1654.64,589 8.51,590 23931.2,592 1,594 1,595 282.193,596 1.506,597 4.82,598 0.234,599 0.008,600 0.076,601 0.04,602 0.051,603 0.025,604 0.018,605 0.014,606 0.01,607 0.011,608 0.487,609 0.33,610 1,611 0.888,612 156.333,613 -0.109,614 -0.135,615 0.001,616 -0.015,617 -0.03,618 0.019,619 0.16,620 -0.025,621 0.06,622 -0.017,623 0.18,624 -0.023,625 -0.058,626 -0.101,627 -0.052,628 -0.131,629 -0.034,630 -0.136,631 -0.127,632 -0.048,633 -0.028,634 -0.023,635 -0.096,636 0.034,637 -0.04,638 0.079,639 0.019,640 0.129,641 -0.078,642 0.09,643 0.111,644 0.004,645 0.013,646 -0.014,647 0.02,648 -0.062,649 -0.04,650 -0.057,651 -0.036,652 -0.031,653 -0.008,654 0.004,655 0.002,656 -0.037,657 0.018,658 -0.045,659 0.053,660 -0.052,661 2.44,662 5.344,663 0.567,664 32.8,665 1.024,666 1.132,667 1.616,668 2.612,669 0.676,670 3.497,671 3.807,672 4.007,673 4.19,674 4.369,675 4.382,676 4.382,677 4.477,678 4.554,679 4.673,680 7.475,681 0.66,682 429.9,683 3.497,684 5.03,685 5.855,686 6.713,687 7.555,688 8.413,689 9.262,690 10.121,691 10.973,692 11.832,693 10,700 2,702 1,703 2,709 4,710 2,714 6,716 12,718 1,733 1,734 1,735 50,737 15,738 1,739 32,741 52,742 20,743 10,744 4,745 2,748 3,749 3,750 1,753 1,754 1,757 3,758 2,760 3,761 1,762 12,763 7,764 2,767 2,772 2,776 2,780 1,783 20,784 9,785 3,786 10,787 1,792 5,797 1,798 4,806 1,815 1,816 2,831 1,841 1,843 3,847 1,848 1,851 30,857 1,858 4,860 2,861 1,863 2,866 1,870 1,872 1,873 1,874 8,876 1,877 2,879 1,881 16.333,882 9.193,883 6.667,884 2.932,886 2.532,887 1.347,888 0.925,889 7.225,890 9.826,891 3.761,892 4.277,893 4.732,894 5.186,895 5.663,896 5.772,897 5.886,898 6.041,899 6.111,900 6.513,901 0.889,902 43,903 11.073,905 4.737,906 8.137,907 20.383,909 16.46,911 2.637,912 79.111,915 1,916 200.109,917 99.627,918 100.652,919 39.149,920 103.973,923 99.627,924 343.23,925 100.652,926 8.825,927 48.217,928 18.952,929 167.598,930 77.597,931 6.604,932 176.567,933 39.149,934 200.109,935 200.279,936 103.973,937 39.149,939 188.338,940 115.744,943 108.954,944 57.754,945 72.72,947 200.109,948 204.625,949 138.776,952 200.109,953 37.153,954 45.873,955 52.623,956 207.752,957 200.109,958 204.625,959 138.776,961 0.583,962 0.332,963 0.163,964 0.09,965 19,966 10,967 0.115,968 6,970 1,971 4.147,972 250.688,974 17,975 147.207,981 21.982,982 9.86,983 5.903,985 204.625,986 5.837,987 7.772,991 2.374,993 78.705,994 543.509,995 42,1000 23.474,1004 -1.352,1007 51.211,1008 56.595,1009 0.318,1010 0.742,1011 0.9,1012 0.955,1013 0.955,1014 0.955,1015 5.011,1016 1.609,1017 5.844,1018 5.458,1019 4.489,1020 4.963,1021 3.183,1022 6.605,1023 4.392,1024 6.21,1025 1.214,1026 7.382,1027 4.471,1028 4.111,1029 4.771,1030 2.462,1031 7.394,1032 3.979,1033 7.504,1034 1,1035 9.011,1036 2.86,1037 6.052,1038 7.049,1039 4.421,1040 10.411,1041 5.875,1042 8.824,1043 0.85,1044 10.689,1045 2.275,1046 6.431,1047 7.609,1048 4.253,1049 11.953,1050 6.218,1051 10.169,1052 0.66,1053 12.397,1054 2.138,1055 7.86,1056 9.41,1057 5.855,1058 14.485,1059 7.606,1060 11.531,1061 0.58,1062 14.125,1063 1.607,1064 8.582,1065 10.323,1066 5.967,1067 16.365,1068 8.292,1069 12.906,1070 0.289,1071 15.868,1072 0.993,1073 9.803,1074 11.924,1075 7.374,1076 18.715,1077 9.475,1078 3.011,1079 -0.086,1080 17.621,1081 0.68,1082 10.696,1083 13.031,1084 7.666,1085 20.766,1086 10.331,1087 2.847,1088 9.551,1089 19.383,1090 -0.182,1091 11.826,1092 14.532,1093 8.941,1094 23.042,1095 11.426,1096 2.691,1097 8.556,1098 21.152,1099 4.053,1100 12.807,1101 15.753,1102 9.364,1103 25.181,1104 12.369,1105 2.453,1106 7.619,1107 22.928,1108 3.698,1109 13.9,1110 17.201,1111 10.541,1112 27.43,1113 13.426,1114 2.311,1115 7.33,1116 24.708,1117 3.126,1118 14.926,1119 18.489,1120 11.062,1121 29.616,1122 14.414,1123 2.194,1124 6.588,1125 26.494,1126 3.077,1127 16.005,1128 19.908,1129 12.165,1130 31.856,1131 15.456,1132 1.928,1133 6.364,1134 28.284,1135 2.955,1136 17.055,1137 21.237,1138 12.761,1139 34.068,1140 16.468,1141 11800,1142 22480,1143 20.69,1144 33.796,1145 48.626,1146 51.591,1147 49.026,1148 47.355,1149 47.273,1150 59.768,1151 14.278,1152 132.981,1153 44.787,1154 5.328,1155 6.057,1156 5.84,1157 5.046,1158 5.011,1159 7.053,1160 4.376,1161 16.261,1162 4.857,1163 18.088,1164 1.52,1165 1.612,1166 1.532,1167 1.48,1168 1.477,1169 1.868,1170 0.446,1171 4.156,1172 1.4,1173 3.987,1174 4.017,1175 4.038,1176 3.893,1177 7.474,1178 3.895,1179 3.887,1180 3.929,1181 3.838,1182 3.791,1183 7.431,1184 3.782,1185 3.852,1186 3.895,1187 3.799,1188 3.681,1189 6.821,1190 3.712,1191 3.464,1192 3.513,1193 3.495,1194 3.212,1195 6.351,1196 3.254,1197 3.377,1198 3.392,1199 3.35,1200 3.133,1201 4.969,1202 3.162,1203 3.193,1204 3.254,1205 3.223,1206 3.014,1207 4.936,1208 3.026,1209 3.097,1210 3.136,1211 3.099,1212 2.84,1213 4.598,1214 2.864,1215 3.018,1216 3.081,1217 2.95,1218 2.8,1219 4.225,1220 2.818,1221 0.137,1222 0.127,1223 0.196,1224 0.124,1225 0.094,1226 4.373,1227 0.127,1228 4.057,1229 0.073,1230 6.287,1231 0.298,1232 3.961,1233 0.089,1234 3.011,1235 4.053,1236 2.341,1237 9.551,1238 2.857,1239 1.906,1240 1.889,1241 1.988,1242 2.02,1243 1.301,1244 2.01,1245 1.763,1246 1.715,1247 1.884,1248 1.953,1249 1.217,1250 1.925,1251 1.666,1252 1.625,1253 1.849,1254 1.831,1255 1.128,1256 1.843,1257 1.629,1258 1.58,1259 1.828,1260 1.8,1261 0.755,1262 1.821,1263 1.338,1264 1.286,1265 1.551,1266 1.619,1267 0.618,1268 1.585,1269 1.158,1270 1.098,1271 1.343,1272 1.395,1273 0.501,1274 1.4,1275 0.988,1276 0.947,1277 1.281,1278 1.299,1279 0.265,1280 1.28,1281 0.932,1282 0.883,1283 1.101,1284 1.205,1285 0.126,1286 1.167,1287 4.174,1289 5.485,1290 2.398,1291 6.967,1292 4.595,1293 8.527,1294 6.581,1295 10.129,1297 1.821,1298 6.199,1302 9.142,1303 2.344,1305 5.193,1306 5.908,1308 -0.194,1312 8.747,1313 1.847,1314 33.008,1315 89.706,1316 209.332,1317 253.928,1318 269.438,1319 269.438,1320 269.438,1321 78.911,1322 7.294,1323 137.23,1324 137.23,1325 17,1326 12.384,1327 4,1328 3.459,1329 55.28,1330 129,1331 154,1332 0.199,1333 209.452,1334 374.65,1335 502.824,1336 15253,1337 2,1338 21.673,1339 0.722,1340 0.565,1341 22.173,1342 16.94,1343 14.351,1344 0.448,1345 0.303,1346 9.193,1347 13.419,1348 8.966,1349 7.417,1350 14.639,1351 9.691,1352 13.078,1353 0.297,1354 0.171,1355 13.449,1356 7.508,1357 10.442,1358 0.193,1359 0.098,1360 10.844,1361 5.289,1362 7.935,1363 0.122,1364 0.053,1365 8.155,1366 3.414,1367 6.212,1368 0.08,1369 0.027,1370 6.444,1371 2.111,1372 0.316,1373 93.997,1374 0.22,1375 28.722,1376 0.532,1377 152,1378 541.161,1379 186.169,1380 547.025,1381 708.66,1382 504,1383 174,1384 475.465,1385 203.006,1386 488.44,1387 702.78,1388 456,1389 5.8}
{0 CHEMBL1991356,1 1.493,2 8.5,3 3.454,4 11.932,5 84.165,6 8.065,7 0.68,8 3.716,9 3.814,10 3.368,11 3.321,12 4.878,13 3.316,14 4.206,15 4.333,16 3.74,17 3.71,18 5.352,19 3.695,20 4.404,21 4.56,22 3.796,23 3.829,24 5.531,25 3.789,26 4.444,27 4.622,28 3.709,29 3.798,30 5.566,31 3.74,32 4.415,33 4.633,34 3.518,35 3.688,36 5.455,37 3.602,38 4.215,39 4.408,40 3.379,41 3.497,42 5.33,43 3.424,44 4.069,45 4.269,46 3.2,47 3.34,48 5.168,49 3.265,50 3.983,51 4.202,52 3.08,53 3.17,54 5.113,55 3.09,56 0.021,57 0.49,58 6.097,59 3.062,60 4.778,61 3.599,62 0.149,63 0.795,64 11.411,65 5.088,66 14.761,67 6.002,68 0.203,69 0.975,70 14.857,71 6.43,72 19.149,73 7.815,74 0.149,75 1.005,76 16.233,77 6.804,78 22.047,79 8.394,80 0.19,81 0.948,82 17.744,83 7.124,84 28.267,85 9.159,86 0.196,87 0.755,88 13.998,89 5.775,90 25.172,91 7.18,92 0.136,93 0.665,94 12.079,95 4.873,96 23.696,97 6.043,98 0.268,99 0.604,100 11.862,101 4.466,102 26.843,103 5.795,104 6,105 36,106 0.267,107 0.573,108 0.725,109 0.856,110 0.89,111 0.9,112 3.148,113 0.844,114 -3.4,115 -3.38,116 -3.24,119 50,124 1,142 9,143 2,144 3,151 1,152 1,158 1,172 9,175 5,178 1,180 1,183 9,187 1,188 6,191 1,193 3,196 6,200 7,205 2,208 4,213 5,218 1,221 6,224 1,225 4,230 2,233 6,238 1,243 1,246 6,249 1,250 2,253 1,255 1,258 5,264 2,272 3,276 534,277 15.248,278 15.248,279 15.248,280 15.248,281 15.248,282 13.213,283 16.113,284 8.882,285 15.545,286 12.308,287 12.308,288 12.308,289 12.308,290 12.308,291 9.096,292 19.091,293 4.158,294 12.701,295 3.677,296 1.958,297 1.112,298 0.375,299 0.188,300 0.132,301 3.849,304 1,305 1,306 1,307 415,308 2.236,311 31.986,312 143.211,315 59.807,316 72.656,319 1.273,320 14.911,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 47,332 187,333 4.623,334 3.665,335 6.85,336 4.235,337 3.274,338 4.338,339 1.058,340 11.42,341 3.147,342 4.202,343 3.053,344 6.173,345 3.822,346 2.836,347 3.82,348 0.86,349 9.186,350 2.794,351 3.902,352 2.93,353 5.888,354 3.474,355 2.492,356 3.462,358 8.033,359 2.451,360 3.623,361 2.656,362 5.325,363 3.25,364 2.277,365 2.932,367 6.722,368 2.197,369 3.353,370 2.26,371 5.22,372 2.974,373 2.026,374 2.579,376 6.241,377 1.909,378 2.906,379 1.614,380 4.291,381 2.437,382 1.45,383 2.085,385 3.845,386 1.431,387 2.849,388 1.497,389 3.869,390 2.394,391 1.412,392 1.989,394 3.135,395 1.381,396 2.64,397 1.364,398 3.815,399 2.146,400 1.147,401 1.691,403 2.698,404 1.143,405 2.396,406 1.017,407 3.551,408 1.888,409 0.899,410 1.33,412 2.372,413 0.887,414 2.245,415 0.934,416 3.478,417 1.717,418 0.734,419 1.082,421 2.099,422 0.717,423 1.583,424 0.847,425 2.723,426 1.293,427 0.427,428 0.48,430 0.621,431 0.366,432 1.28,433 0.468,434 2.681,435 0.869,436 -0.129,437 -0.171,439 -0.32,440 -0.128,441 0.774,442 -0.374,443 2.54,444 0.359,445 -0.625,446 -0.827,448 -1.397,449 -0.607,450 0.69,451 -0.433,452 2.468,453 0.285,454 -0.688,455 -0.882,457 -1.799,458 -0.665,459 0.583,460 -0.653,461 2,462 0.141,463 -0.821,464 -1.069,466 -2.214,467 -0.781,468 10.467,469 0.476,470 0.5,471 0.023,472 33,473 1.5,474 18.5,475 0.841,476 14.5,477 0.659,478 13.132,479 0.597,480 21.933,481 0.609,482 22.576,483 1.026,484 6.721,485 0.305,486 4.038,487 0.184,488 0.08,490 0.373,496 0.778,497 1.154,498 0.692,499 0.938,500 0.584,501 0.82,502 0.98,503 1.082,504 0.808,505 0.876,506 0.627,507 0.827,508 0.925,509 1.039,510 0.948,511 0.987,512 0.889,513 0.974,514 1.012,515 1.122,516 1.045,517 1.09,518 1.039,519 1.068,520 0.958,521 0.902,522 0.975,523 0.948,524 1.035,525 0.958,526 1.079,527 1.003,528 1.025,529 1.04,530 1.249,531 1.036,532 1.156,533 1.045,534 1.088,535 1.064,536 1.501,537 1.065,538 0.843,539 0.858,540 0.968,541 0.951,542 0.852,543 0.969,544 4,545 0.021,546 2.444,547 1.41,548 1.615,549 0.764,550 0.366,551 0.217,552 0.162,553 0.066,554 4854,555 12919,556 2.176,557 38.9,559 12,560 1,562 1,567 1.648,568 2.063,569 3.086,570 -0.354,572 1,574 1,577 53.756,578 1.493,579 3.211,580 4.058,581 4.795,582 4.982,583 5.038,584 2.504,585 4.278,586 4.431,587 3.177,588 733.972,589 7.627,590 7741.35,591 1,592 1,593 1,594 1,595 186.117,596 1.322,597 4.403,598 0.16,599 0.005,600 0.068,601 0.038,602 0.049,603 0.028,604 0.016,605 0.011,606 0.01,607 0.007,608 0.392,609 0.83,610 1,611 0.72,612 99.119,613 -0.04,614 -0.113,615 0.057,616 -0.032,617 -0.07,618 0.018,619 -0.021,620 -0.049,621 0.027,622 0.043,623 0.015,624 0.037,625 0.005,626 -0.017,627 -0.066,628 -0.054,629 -0.025,630 -0.073,631 -0.103,632 -0.116,633 -0.123,634 -0.145,635 -0.053,636 -0.135,637 -0.066,638 0.054,639 0.029,640 0.043,641 -0.009,642 0.055,643 -0.002,644 -0.066,645 -0.033,646 -0.054,647 -0.027,648 -0.054,649 -0.12,650 -0.083,651 -0.098,652 -0.09,653 -0.16,654 -0.088,655 0.309,656 0.109,657 0.089,658 0.033,659 0.21,660 0.033,661 1.757,662 5.259,663 0.864,664 15.388,665 1.004,666 1.109,667 2.173,668 4.723,669 0.708,670 3.258,671 3.611,672 3.951,673 4.277,674 4.564,675 4.7,676 4.852,677 5.024,678 5.118,679 5.118,680 5.019,681 0.684,682 290.34,683 3.258,684 4.812,685 5.694,686 6.597,687 7.499,688 8.411,689 9.322,690 10.238,691 11.153,692 12.072,693 5.6,700 1,701 1,709 10,714 6,715 1,716 17,723 1,733 1,735 36,737 18,738 2,739 25,741 39,742 18,743 16,744 4,745 8,746 1,748 4,749 7,762 17,763 1,767 1,772 1,776 1,779 1,780 1,783 14,784 3,785 1,786 4,792 2,797 0.5,798 2,811 1,815 1,816 3,819 1,820 1,843 2,847 1,851 22,860 1,861 1,874 5.6,877 1,879 1,881 10.667,882 6.867,883 4.806,884 2.035,886 3.357,887 1.449,888 1.049,889 3.015,890 10.824,891 3.57,892 4.208,893 4.859,894 5.499,895 6.059,896 6.435,897 6.881,898 7.34,899 7.737,900 8.05,901 0.833,902 37,903 8.099,905 3.508,906 7.712,907 15.452,909 12.89,911 2.212,912 48.667,916 153.024,917 129.806,918 19.91,920 36.145,923 129.806,924 189.169,925 19.91,926 10.883,927 18.011,928 94.334,929 29.85,930 30.027,931 14.528,932 141.253,934 153.024,935 149.716,936 36.145,939 153.024,940 36.145,943 19.91,944 129.806,947 153.024,948 56.055,949 129.806,952 153.024,953 24.589,954 107.116,955 18.011,956 36.145,957 153.024,958 56.055,959 129.806,961 0.583,962 0.356,963 0.202,964 0.115,965 20,966 8,967 0.051,968 2,969 2,970 1.211,971 3.419,972 185.702,973 0.211,974 19,975 96.107,981 13.165,982 5.038,983 2.143,985 54.156,986 19.484,991 5.245,992 1.934,993 18.011,994 338.885,995 34.5,1000 12.259,1004 -0.09,1007 36.16,1008 39.907,1009 0.289,1010 0.621,1011 0.785,1012 0.927,1013 0.964,1014 0.974,1015 4.806,1016 1.147,1017 5.687,1018 3.135,1019 4.29,1020 4.894,1021 1.552,1022 6.544,1023 4.233,1024 6.029,1025 0.899,1026 7.269,1027 2.698,1028 3.892,1029 4.677,1031 7.506,1032 3.803,1033 7.349,1034 0.734,1035 8.951,1036 2.372,1037 5.922,1038 7.121,1039 1.527,1040 10.651,1041 5.804,1042 8.707,1043 0.427,1044 10.693,1045 2.099,1046 6.365,1047 7.745,1049 12.448,1050 6.207,1051 10.098,1052 -0.129,1053 12.473,1054 0.621,1055 7.854,1056 9.63,1057 1.53,1058 15.111,1059 7.672,1060 11.512,1061 -0.625,1062 14.28,1063 -0.32,1064 8.684,1065 10.656,1067 17.259,1068 8.458,1069 12.945,1070 -0.688,1071 16.105,1072 -1.397,1073 9.964,1074 12.301,1075 1.557,1076 19.762,1077 9.71,1078 3.274,1079 -0.821,1080 17.945,1081 -1.799,1082 10.977,1083 13.532,1085 22.064,1086 10.677,1087 2.836,1088 11.42,1089 19.796,1090 -2.214,1091 12.178,1092 15.067,1093 1.603,1094 24.514,1095 11.846,1096 2.492,1097 9.186,1098 21.657,1099 4.338,1100 13.276,1101 16.405,1103 26.886,1104 12.898,1105 2.277,1106 8.033,1107 23.525,1108 3.82,1109 14.451,1110 17.892,1111 1.663,1112 29.319,1113 14.037,1114 2.026,1115 6.722,1116 25.401,1117 3.462,1118 15.589,1119 19.284,1121 31.722,1122 15.13,1123 1.45,1124 6.241,1125 27.282,1126 2.932,1127 16.759,1128 20.751,1129 1.734,1130 34.152,1131 16.261,1132 1.412,1133 3.845,1134 29.168,1135 2.579,1136 17.917,1137 22.173,1139 36.571,1140 17.374,1141 4597,1142 7600,1143 17.107,1144 25.489,1145 38.284,1146 39.506,1147 39.324,1148 37.874,1149 37.947,1150 51.575,1151 3.837,1152 112.746,1153 36.845,1154 5.505,1155 5.665,1156 6.532,1157 5.305,1158 5.274,1159 7.338,1160 2.117,1161 18.935,1162 5.147,1163 8.185,1164 1.531,1165 1.58,1166 1.573,1167 1.515,1168 1.518,1169 2.063,1170 0.153,1171 4.51,1172 1.474,1173 4.12,1174 4.152,1175 4.088,1176 4.016,1177 7.429,1178 4.029,1179 3.885,1180 3.908,1181 3.83,1182 3.816,1183 4.925,1184 3.816,1185 3.669,1186 3.701,1187 3.603,1188 3.58,1189 4.802,1190 3.582,1191 3.283,1192 3.329,1193 3.215,1194 3.039,1195 4.547,1196 3.073,1197 3.212,1198 3.273,1199 3.044,1200 2.947,1201 4.317,1202 2.958,1203 2.887,1204 2.946,1205 2.777,1206 2.768,1207 3.906,1208 2.762,1209 2.771,1210 2.842,1211 2.677,1212 2.646,1213 3.676,1214 2.641,1215 2.767,1216 2.805,1217 2.585,1218 2.619,1219 3.527,1220 2.607,1221 0.185,1222 0.147,1223 0.274,1224 0.169,1225 0.131,1226 4.623,1227 0.174,1228 3.665,1229 0.042,1230 6.85,1231 0.457,1232 4.235,1233 0.126,1234 3.274,1235 4.338,1236 1.058,1237 11.42,1238 3.147,1239 1.942,1240 1.912,1241 2.029,1242 2.071,1243 1.141,1244 2.057,1245 1.911,1246 1.892,1247 2.007,1248 1.991,1249 1.116,1250 1.997,1251 1.493,1252 1.47,1253 1.61,1254 1.646,1255 0.695,1256 1.633,1257 1.382,1258 1.341,1259 1.566,1260 1.565,1261 0.615,1262 1.569,1263 1.18,1264 1.104,1265 1.497,1266 1.452,1267 0.559,1268 1.473,1269 0.979,1270 0.917,1271 1.2,1272 1.238,1273 0.238,1274 1.224,1275 0.806,1276 0.74,1277 1.092,1278 0.987,1279 0.159,1280 1.027,1281 0.709,1282 0.661,1283 0.972,1284 0.919,1285 0.067,1286 0.944,1287 3.932,1289 5.273,1290 2.398,1291 6.825,1292 4.727,1293 8.475,1294 6.88,1295 10.177,1297 1.646,1305 2.919,1306 5.27,1314 24.633,1315 53.756,1316 115.614,1317 146.078,1318 172.608,1319 179.362,1320 181.362,1321 26.27,1322 7.467,1323 46.5,1324 46.5,1325 23,1326 12.582,1327 4.248,1328 3.392,1329 29.811,1330 68,1331 68,1332 0.229,1333 149.094,1334 253.64,1335 355.548,1336 16549,1338 15.104,1339 0.687,1340 0.547,1341 15.104,1342 12.037,1343 10.758,1344 0.43,1345 0.281,1346 6.941,1347 10.385,1348 6.769,1349 5.621,1350 10.758,1351 7.037,1352 9.682,1353 0.269,1354 0.144,1355 9.682,1356 5.187,1357 8.69,1358 0.17,1359 0.076,1360 8.69,1361 3.867,1362 7.553,1363 0.106,1364 0.039,1365 7.553,1366 2.773,1367 6.428,1368 0.068,1369 0.02,1370 6.428,1371 1.942,1372 0.346,1373 67.189,1374 0.242,1375 21.222,1376 0.666,1377 122,1378 345.449,1379 131.894,1380 335.727,1381 470.04,1382 316,1383 148,1384 356.309,1385 158.59,1386 363.453,1387 535.1,1388 342,1389 5.1}
{0 CHEMBL1991395,1 1.644,2 10.69,3 3.298,4 10.879,5 108.712,6 7.85,7 0.688,8 4.027,9 4.151,10 3.635,11 3.542,12 5.207,13 3.544,14 4.536,15 4.712,16 4.012,17 3.932,18 5.686,19 3.92,20 4.78,21 4.976,22 4.066,23 4.076,24 5.915,25 4.029,26 4.953,27 5.223,28 3.989,29 4.047,30 5.984,31 3.984,32 4.715,33 4.936,34 4.037,35 4.02,36 5.774,37 3.982,38 4.754,39 4.957,40 4.078,41 4.056,42 5.982,43 4.023,44 4.766,45 4.981,46 3.93,47 4.021,48 5.862,49 3.946,50 4.721,51 4.975,52 3.733,53 3.827,54 5.822,55 3.736,56 0.075,57 0.859,58 9.333,59 4.119,60 12.074,61 5.258,62 0.287,63 1.355,64 17.807,65 6.784,66 33.856,67 8.924,68 0.331,69 1.64,70 23.671,71 8.932,72 41.097,73 11.863,74 0.732,75 1.636,76 34.477,77 9.662,78 87.264,79 13.982,80 0.325,81 1.477,82 23.248,83 7.915,84 32.131,85 11.349,86 0.55,87 1.607,88 23.172,89 7.267,90 54.46,91 10.234,92 0.32,93 1.565,94 24.063,95 8.821,96 32.481,97 12.279,98 0.433,99 1.417,100 25.468,101 8.35,102 51.176,103 11.804,104 21,105 46,106 0.274,107 0.64,108 0.801,109 0.842,110 0.842,111 0.842,112 3.409,113 0.865,114 -3.96,115 -3.92,116 -3.71,119 42,120 2,123 1,125 2,142 5,143 1,144 1,145 3,146 2,150 1,151 1,152 1,161 1,172 6,174 2,175 3,178 2,180 2,183 5,187 3,188 4,193 4,196 2,199 1,200 8,204 1,205 1,208 1,212 1,213 9,216 1,221 2,224 2,225 6,228 3,230 1,233 3,238 5,243 2,246 2,249 1,250 5,253 1,255 3,258 1,264 2,267 1,272 4,276 1468,277 19.524,278 19.524,279 19.524,280 19.524,281 19.524,282 16.993,283 10.612,284 11.303,285 19.996,286 15.719,287 15.719,288 15.719,289 15.719,290 15.719,291 11.933,292 14.867,293 5.305,294 16.555,295 4,296 1.802,297 0.837,298 0.59,299 0.59,300 0.59,301 4.104,305 1,306 1,307 665,308 3.606,311 59.273,312 239.27,315 115.433,319 1.562,320 30.593,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 63.5,332 310,333 4.728,334 3.322,335 7.018,336 4.27,337 3.319,338 4.662,339 0.4,340 12.053,341 3.162,342 4.189,343 3.227,344 6.69,345 4.169,346 3.178,347 3.7,349 10.767,350 3.147,351 4.056,352 2.908,353 5.992,354 3.621,355 2.657,356 3.665,358 8.436,359 2.564,360 4.028,361 2.69,362 5.786,363 3.538,364 2.606,365 3.181,367 8.003,368 2.421,369 3.642,370 2.488,371 5.282,372 3.194,373 2.258,374 3.063,376 6.603,377 2.1,378 3.441,379 2.218,380 5.031,381 3.039,382 2.102,383 2.756,385 6.005,386 1.956,387 3.019,388 1.576,389 4.576,390 2.469,391 1.528,392 2.27,394 4.394,395 1.436,396 2.979,397 1.546,398 4.412,399 2.464,400 1.519,401 2.194,403 3.983,404 1.43,405 2.702,406 1.268,407 3.626,408 2.158,409 1.23,410 1.796,412 2.86,413 1.138,414 2.603,415 1.19,416 3.607,417 2.065,418 1.125,419 1.652,421 2.636,422 1.053,423 2.5,424 1.132,425 3.486,426 2,427 1,428 1.5,430 2.275,431 1,432 1.988,433 1,434 3.414,435 1.635,436 0.722,437 0.789,439 1.632,440 0.656,441 1.825,442 0.77,443 3.354,444 1.44,445 0.506,446 0.733,448 1.322,449 0.472,450 1.37,451 0.518,452 2.867,453 1.213,454 0.34,455 0.348,457 0.477,458 0.294,459 1.182,460 0.329,461 2.699,462 0.776,463 -0.143,464 -0.18,466 -0.325,467 -0.127,468 13.519,469 0.466,470 0.793,471 0.027,472 40.25,473 1.388,474 20.5,475 0.707,476 19.75,477 0.681,478 23.265,479 0.802,480 30.881,481 0.618,482 30.883,483 1.065,484 7.839,485 0.27,486 6.127,487 0.211,488 0.12,489 0.037,490 0.288,494 1,496 0.787,497 1.288,498 0.736,499 1.087,500 0.718,501 0.937,502 0.789,503 0.996,504 0.764,505 0.897,506 0.684,507 0.838,508 0.889,509 1.195,510 1.012,511 1.216,512 0.827,513 1.155,514 1.119,515 0.73,516 0.893,517 0.609,518 1.027,519 0.68,520 0.645,521 0.926,522 0.74,523 0.847,524 0.45,525 0.808,526 0.811,527 0.85,528 1.048,529 0.891,530 0.607,531 0.971,532 0.739,533 1.148,534 1.045,535 1.249,536 0.692,537 1.215,538 0.865,539 1.051,540 1.023,541 1.127,542 0.816,543 1.112,544 6.5,545 0.198,546 3.333,547 1.917,548 1.842,549 0.924,550 0.618,551 0.594,552 0.372,553 0.36,554 9979,555 29033,556 2.082,557 42,558 6,559 9,560 1,561 3,562 2,567 1.725,568 1.944,569 3.341,570 0.262,571 1,572 1,577 82.206,578 1.644,579 3.842,580 4.806,581 5.054,582 5.054,583 5.054,584 2.862,585 4.487,586 4.825,587 3.518,588 1428.42,589 8.439,590 18920.2,592 1,594 1,595 282.193,596 1.548,597 4.781,598 0.203,599 0.009,600 0.072,601 0.042,602 0.043,603 0.02,604 0.013,605 0.015,606 0.012,607 0.013,608 0.443,609 0.33,610 1,611 1.232,612 145.527,613 -0.079,614 -0.217,615 0.037,616 -0.061,617 -0.093,618 -0.004,619 0.012,620 0.029,621 0.097,622 0.084,623 0.014,624 0.098,625 -0.035,626 -0.162,627 -0.115,628 -0.224,629 -0.019,630 -0.197,631 -0.117,632 0.108,633 0.148,634 0.32,635 -0.102,636 0.297,637 0.002,638 -0.031,639 0.165,640 0.114,641 0.028,642 0.164,643 0.007,644 0.162,645 -0.158,646 0.017,647 0.02,648 -0.078,649 -0.003,650 -0.19,651 -0.137,652 -0.257,653 -0.025,654 -0.232,655 0.046,656 -0.116,657 -0.024,658 -0.161,659 0.064,660 -0.12,661 1.972,662 5.411,663 0.724,664 27.857,665 1.01,666 1.137,667 2.733,668 7.471,669 0.67,670 3.497,671 3.85,672 4.111,673 4.394,674 4.7,675 4.828,676 5.011,677 5.193,678 5.273,679 5.288,680 6.297,681 0.649,682 392.48,683 3.497,684 5.056,685 5.911,686 6.808,687 7.689,688 8.595,689 9.49,690 10.402,691 11.305,692 12.221,693 12,698 1,701 1,703 4,708 1,709 9,710 4,714 6,716 22,728 1,734 1,735 50,737 22,738 1,739 32,741 53,742 21,743 16,744 2,745 4,748 4,749 5,754 3,755 1,762 16,763 5,780 1,781 1,783 21,784 7,785 2,786 8,789 1,792 6,797 0.75,798 1,799 1,806 1,810 1,815 1,816 3,819 1,841 1,843 3,847 2,849 1,851 29,857 1,858 2,860 1,865 1,873 1,874 2,875 1,881 14.917,882 9.593,883 6.306,884 2.822,886 4.299,887 1.552,888 0.965,889 5.164,890 12.08,891 3.784,892 4.434,893 5.06,894 5.722,895 6.357,896 6.769,897 7.293,898 7.815,899 8.182,900 8.522,901 1,902 46,903 10.689,905 4.576,906 7.859,907 20.139,909 16.482,911 2.359,912 68.417,915 1,916 223.651,917 127.518,918 86.439,920 42.683,921 14.96,923 127.518,924 266.334,925 101.399,926 17.65,927 2.106,928 99.112,929 122.181,930 46.249,931 31.387,932 176.567,934 223.651,935 213.958,936 57.643,939 238.611,941 42.683,943 57.313,944 71.492,945 85.153,947 238.611,948 129.123,949 127.518,952 223.651,953 26.297,954 102.508,955 18.011,956 124.786,957 223.651,958 144.083,959 127.518,961 0.587,962 0.335,963 0.172,964 0.105,965 23,966 10,967 0.113,968 6,969 1,970 1.095,971 3.949,972 264.286,973 0.095,974 21,975 134.881,981 19.285,982 7.765,983 4.056,984 0.663,985 142.796,986 14.837,987 17.754,991 3.042,993 60.694,994 495.252,995 43,1007 50.52,1008 56.861,1009 0.291,1010 0.681,1011 0.852,1012 0.895,1013 0.895,1014 0.895,1015 5.027,1016 1.519,1017 5.932,1018 4.394,1019 4.533,1020 5.121,1021 0.278,1022 6.79,1023 4.434,1024 6.266,1025 1.23,1026 7.523,1027 3.983,1028 4.29,1029 4.987,1031 7.968,1032 4.175,1033 7.598,1034 1.125,1035 9.222,1036 2.86,1037 6.217,1038 7.39,1039 0.05,1040 10.988,1041 6.042,1042 8.967,1043 1,1044 10.985,1045 2.636,1046 6.781,1047 8.076,1049 12.964,1050 6.596,1051 10.367,1052 0.722,1053 12.79,1054 2.275,1055 8.217,1056 9.969,1057 0.008,1058 15.581,1059 7.985,1060 11.79,1061 0.506,1062 14.622,1063 1.632,1064 9.125,1065 11.068,1067 17.854,1068 8.878,1069 13.232,1070 0.34,1071 16.475,1072 1.322,1073 10.387,1074 12.743,1075 0.001,1076 20.358,1077 10.102,1078 3.319,1079 -0.143,1080 18.344,1081 0.477,1082 11.446,1083 14.06,1085 22.746,1086 11.139,1087 3.178,1088 12.053,1089 20.224,1090 -0.325,1091 12.646,1092 15.643,1094 25.22,1095 12.305,1096 2.657,1097 10.767,1098 22.113,1099 4.662,1100 13.771,1101 17.072,1103 27.655,1104 13.404,1105 2.606,1106 8.436,1107 24.01,1108 3.7,1109 14.953,1110 18.619,1112 30.123,1113 14.552,1114 2.258,1115 8.003,1116 25.913,1117 3.665,1118 16.108,1119 20.103,1121 32.578,1122 15.677,1123 2.102,1124 6.603,1125 27.822,1126 3.181,1127 17.287,1128 21.639,1130 35.047,1131 16.822,1132 1.528,1133 6.005,1134 29.734,1135 3.063,1136 18.456,1137 23.15,1139 37.513,1140 17.958,1141 9671,1142 16648,1143 21.266,1144 33.517,1145 48.514,1146 49.393,1147 49.796,1148 48.125,1149 48.182,1150 64.617,1151 0.8,1152 142.893,1153 45.656,1154 5.592,1155 5.322,1156 6.699,1157 5.344,1158 5.319,1159 7.662,1160 0.8,1161 19.398,1162 5.162,1163 14.454,1164 1.516,1165 1.544,1166 1.556,1167 1.504,1168 1.506,1169 2.019,1170 0.025,1171 4.465,1172 1.427,1173 4.151,1174 4.198,1175 4.132,1176 4.006,1177 8.201,1178 4.031,1179 3.853,1180 3.901,1181 3.803,1182 3.757,1183 6.456,1184 3.764,1185 3.836,1186 3.882,1187 3.769,1188 3.675,1189 5.136,1190 3.682,1191 3.711,1192 3.765,1193 3.608,1194 3.562,1195 4.947,1196 3.574,1197 3.276,1198 3.334,1199 3.228,1200 3.112,1201 4.646,1202 3.132,1203 3.117,1204 3.206,1205 2.972,1206 2.871,1207 4.363,1208 2.884,1209 2.981,1210 3.063,1211 2.798,1212 2.748,1213 4.26,1214 2.747,1215 2.894,1216 3.009,1217 2.763,1218 2.735,1219 3.946,1220 2.715,1221 0.148,1222 0.104,1223 0.219,1224 0.133,1225 0.104,1226 4.728,1227 0.146,1228 3.322,1229 0.013,1230 7.018,1231 0.377,1232 4.27,1233 0.099,1234 3.319,1235 4.662,1236 0.4,1237 12.053,1238 3.162,1239 1.925,1240 1.898,1241 2.012,1242 2.077,1243 1.286,1244 2.05,1245 1.852,1246 1.807,1247 1.994,1248 1.99,1249 1.116,1250 1.982,1251 1.785,1252 1.73,1253 1.926,1254 1.966,1255 0.986,1256 1.974,1257 1.681,1258 1.633,1259 1.79,1260 1.857,1261 0.778,1262 1.847,1263 1.278,1264 1.236,1265 1.419,1266 1.466,1267 0.55,1268 1.447,1269 1.069,1270 0.978,1271 1.417,1272 1.35,1273 0.469,1274 1.351,1275 0.934,1276 0.836,1277 1.338,1278 1.299,1279 0.426,1280 1.315,1281 0.925,1282 0.821,1283 1.32,1284 1.239,1285 0.398,1286 1.308,1287 4.174,1289 5.517,1290 2.398,1291 7.054,1292 4.844,1293 8.671,1294 7.066,1295 10.333,1297 3.905,1299 13.411,1302 9.452,1303 0.573,1305 3.179,1310 -0.298,1314 32.441,1315 82.206,1316 192.08,1317 240.319,1318 252.683,1319 252.683,1320 252.683,1321 50.958,1322 7.782,1323 88.23,1324 88.23,1325 23,1326 12.735,1327 4.524,1328 3.585,1329 44.432,1330 104,1331 124,1332 0.203,1333 199.322,1334 333.28,1335 478.106,1336 25436,1337 2,1338 20.433,1339 0.705,1340 0.558,1341 19.562,1342 16.172,1343 13.965,1344 0.436,1345 0.288,1346 9.075,1347 13.352,1348 8.808,1349 7.352,1350 13.572,1351 9.229,1352 13.054,1353 0.284,1354 0.164,1355 12.433,1356 7.562,1357 10.752,1358 0.179,1359 0.077,1360 10.341,1361 4.599,1362 8.496,1363 0.106,1364 0.036,1365 8.344,1366 2.911,1367 7.515,1368 0.069,1369 0.019,1370 7.285,1371 2.055,1372 0.312,1373 88.128,1374 0.217,1375 27.145,1376 0.577,1377 156,1378 500.819,1379 173.176,1380 463.4,1381 633.17,1382 434,1383 184,1384 468.623,1385 202.032,1386 471.527,1387 691.64,1388 442,1389 5.1}
{0 CHEMBL1991410,1 1.859,2 10.185,3 4.009,4 16.068,5 97.787,6 10.126,7 0.733,8 3.794,9 3.887,10 3.604,11 3.409,12 5.118,13 3.432,14 4.254,15 4.363,16 4.017,17 3.782,18 5.66,19 3.799,20 4.489,21 4.642,22 4.07,23 3.851,24 5.866,25 3.865,26 4.483,27 4.63,28 4.129,29 3.776,30 6.262,31 3.794,32 4.427,33 4.599,34 3.887,35 3.724,36 5.753,37 3.701,38 4.339,39 4.514,40 4.028,41 3.652,42 5.824,43 3.649,44 4.231,45 4.393,46 3.861,47 3.563,48 5.646,49 3.556,50 4.118,51 4.264,52 3.9,53 3.443,54 5.735,55 3.455,56 0.178,57 0.704,58 3.051,59 2.828,60 17.54,61 2.568,62 0.355,63 1.109,64 5.813,65 4.675,66 31.258,67 4.475,68 0.579,69 1.375,70 12.898,71 6.559,72 76.519,73 6.166,74 1.004,75 1.462,76 12.283,77 6.336,78 144.972,79 5.952,80 0.667,81 1.121,82 16.031,83 6.486,84 88.126,85 6.02,86 0.635,87 1.053,88 15.537,89 5.696,90 66.847,91 6.024,92 0.546,93 0.976,94 13.575,95 5.17,96 64.849,97 4.714,98 0.585,99 0.815,100 13.483,101 4.965,102 67.376,103 4.675,104 17,105 43,106 0.325,107 0.636,108 0.798,109 0.879,110 0.879,111 0.879,112 3.34,113 0.826,114 -5.31,115 -5.2,116 -4.86,119 50,142 7,143 4,144 2,145 1,147 2,151 1,158 1,161 1,172 8,175 6,178 3,180 4,183 10,188 3,193 3,196 6,199 1,200 6,205 8,208 6,213 5,218 2,221 4,225 6,228 1,229 1,230 2,233 6,237 1,238 4,241 1,243 1,246 5,250 1,253 1,255 1,258 8,263 1,264 2,272 6,276 1054,277 18.154,278 18.154,279 18.154,280 18.154,281 18.154,282 15.363,283 12.376,284 10.572,285 18.621,286 14.81,287 14.81,288 14.81,289 14.81,290 14.81,291 10.637,292 15.558,293 5.003,294 15.646,295 3.389,296 1.604,297 0.675,298 0.211,299 0.211,300 0.211,301 4.035,303 1,304 1,305 1,306 1,307 601,308 2.915,311 55.233,312 243.95,315 105.006,319 1.525,320 43.265,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 60.333,332 275,333 4.601,334 3.678,335 6.715,336 4.151,337 3.17,338 4.535,339 1.058,340 10.929,341 3.111,342 4.448,343 3.199,344 6.678,345 4.064,346 3.089,347 4.104,349 10.599,350 3.001,351 4.139,352 3.03,353 5.859,354 3.65,355 2.717,356 3.811,358 8.296,359 2.541,360 3.598,361 2.927,362 5.412,363 3.197,364 2.239,365 2.966,367 6.917,368 2.135,369 3.438,370 2.592,371 4.96,372 2.96,373 2.06,374 2.72,376 5.688,377 1.854,378 3.232,379 2.387,380 4.841,381 2.787,382 1.879,383 2.481,385 5.104,386 1.678,387 3.171,388 2.193,389 4.632,390 2.696,391 1.751,392 2.395,394 4.734,395 1.558,396 3.046,397 1.547,398 4.501,399 2.513,400 1.547,401 2.319,403 4.224,404 1.49,405 2.917,406 1.465,407 4.005,408 2.387,409 1.436,410 2.113,412 3.444,413 1.341,414 2.651,415 1.356,416 3.714,417 2.148,418 1.155,419 1.669,421 2.684,422 1.135,423 2.523,424 1.039,425 3.564,426 1.993,427 1.026,428 1.533,430 2.55,431 0.987,432 1.973,433 0.876,434 3.094,435 1.432,436 0.488,437 0.721,439 1.178,440 0.459,441 1.215,442 0.505,443 2.886,444 0.903,450 1.154,451 0.41,452 2.557,453 0.666,454 -0.32,455 -0.434,457 -0.757,458 -0.246,459 1,460 0.205,461 2.355,462 0.557,463 -0.347,464 -0.445,466 -0.81,467 -0.303,468 12.719,469 0.471,470 0.733,471 0.027,472 40,473 1.481,474 22,475 0.815,476 18,477 0.667,478 18.116,479 0.671,480 27.481,481 0.723,482 30.756,483 1.139,484 8.184,485 0.303,486 4.841,487 0.179,488 0.127,490 0.393,494 2,496 0.619,497 0.93,498 0.511,499 0.784,500 0.543,501 0.71,502 0.598,503 0.957,504 0.609,505 0.953,506 0.586,507 0.907,508 1.06,509 1.135,510 0.883,511 1.01,512 1.03,513 0.968,514 0.762,515 0.95,516 0.8,517 0.991,518 0.765,519 1.024,520 1.181,521 0.918,522 1.278,523 0.993,524 1.144,525 1.082,526 0.701,527 0.736,528 0.988,529 0.887,530 0.66,531 0.843,532 1.171,533 0.933,534 1.367,535 0.972,536 1.104,537 0.969,538 0.975,539 1.053,540 1.115,541 1.1,542 1.005,543 0.924,544 5.5,545 0.154,546 3.111,547 2.819,548 1.334,549 0.819,550 0.518,551 0.437,552 0.323,553 0.184,554 8757,555 32412,556 2.097,557 28.9,559 7,560 1,561 1,562 2,567 1.703,568 1.952,569 3.304,570 0.304,572 1,577 70.657,578 1.859,579 3.644,580 4.573,581 5.037,582 5.037,583 5.037,584 2.713,585 4.385,586 4.732,587 3.473,588 1218.88,589 8.22,590 15428.5,592 1,594 1,595 199.421,596 1.447,597 4.681,598 0.183,599 0.008,600 0.072,601 0.064,602 0.032,603 0.024,604 0.014,605 0.014,606 0.011,607 0.008,608 0.431,609 0.33,610 1,611 0.584,612 132.796,613 -0.072,614 -0.06,615 -0.005,616 0.022,617 -0.061,618 0.043,619 0.052,620 -0.061,621 0.003,622 -0.117,623 0.013,624 -0.111,625 -0.166,626 -0.172,627 -0.061,628 -0.078,629 -0.13,630 -0.039,631 0.346,632 0.118,633 0.061,634 -0.044,635 0.398,636 -0.121,637 -0.256,638 -0.058,639 -0.209,640 -0.01,641 -0.216,642 -0.078,643 0.143,644 0.064,645 0.213,646 0.086,647 0.108,648 0.169,649 -0.177,650 0.01,651 -0.133,652 0.021,653 -0.169,654 -0.006,655 0.126,656 -0.103,657 0.225,658 -0.054,659 0.099,660 0.076,661 2.627,662 5.802,663 0.778,664 21.369,665 1.04,666 1.129,667 4.082,668 16.663,669 0.737,670 3.434,671 3.784,672 4.078,673 4.382,674 4.522,675 4.605,676 4.691,677 4.86,678 4.852,679 4.977,680 6.128,681 0.738,682 384.79,683 3.434,684 4.99,685 5.855,686 6.751,687 7.627,688 8.527,689 9.408,690 10.309,691 11.192,692 12.094,693 10.5,700 1,701 1,703 2,708 2,709 9,710 2,711 1,714 7,716 22,723 1,734 3,735 38,737 23,738 1,739 30,741 41,742 19,743 18,744 3,745 3,746 1,748 4,749 5,750 1,762 19,767 1,772 1,776 1,780 1,781 2,783 11,784 6,785 2,786 8,787 1,792 4,797 0.75,798 1,809 2,811 1,815 1,816 3,819 1,843 3,848 1,849 2,851 27,860 1,873 3,874 2.6,877 1,881 13.833,882 6.995,883 5.833,884 2.122,886 4.226,887 1.558,888 1.048,889 4.504,890 11.8,891 3.761,892 4.434,893 5.073,894 5.716,895 6.207,896 6.523,897 6.927,898 7.392,899 7.618,900 8.044,901 0.857,902 44,903 10.042,905 4.532,906 8.195,907 18.108,909 14.871,911 2.695,912 72.778,916 105.94,917 126.62,918 68.367,919 39.149,920 25.145,921 29.92,923 126.62,924 170.233,925 98.288,927 18.011,928 75.381,929 76.907,930 56.205,931 86.24,932 82.398,934 105.94,935 194.987,936 55.065,937 39.149,939 135.86,940 25.145,943 45.559,944 115.857,945 33.571,946 39.149,947 135.86,948 93.512,949 165.769,952 105.94,953 42.191,954 84.429,955 34.796,956 127.785,957 105.94,958 123.432,959 165.769,961 0.589,962 0.351,963 0.201,964 0.097,965 22,966 10,967 0.073,968 3,969 1,970 1.095,971 3.826,972 238.154,973 0.095,974 21,975 122.382,981 17.44,982 6.973,983 3.362,984 1.552,985 106.647,986 13.488,987 8.234,988 3.046,991 -0.945,993 34.796,994 395.141,995 42,1000 12.287,1004 -0.952,1007 39.502,1008 42.902,1009 0.354,1010 0.694,1011 0.871,1012 0.96,1013 0.96,1014 0.96,1015 4.994,1016 1.547,1017 5.855,1018 4.734,1019 4.466,1020 5.121,1021 1.176,1022 6.696,1023 4.367,1024 6.235,1025 1.436,1026 7.432,1027 4.224,1028 4.111,1029 4.997,1031 7.647,1032 3.947,1033 7.561,1034 1.155,1035 9.109,1036 3.444,1037 6.084,1038 7.406,1039 1.255,1040 10.777,1041 5.922,1042 8.925,1043 1.026,1044 10.846,1045 2.684,1046 6.538,1047 8.107,1049 12.575,1050 6.34,1051 10.32,1052 0.488,1053 12.622,1054 2.55,1055 8.001,1056 9.99,1057 1.338,1058 15.219,1059 7.796,1060 11.738,1062 14.425,1063 1.178,1064 8.832,1065 11.093,1067 17.361,1068 8.603,1069 13.175,1070 -0.32,1071 16.25,1073 10.093,1074 12.75,1075 1.422,1076 19.834,1077 9.851,1078 3.17,1079 -0.347,1080 18.09,1081 -0.757,1082 11.094,1083 14.051,1085 22.115,1086 10.834,1087 3.089,1088 10.929,1089 19.943,1090 -0.81,1091 12.276,1092 15.609,1093 1.51,1094 24.527,1095 11.999,1096 2.717,1097 10.599,1098 21.805,1099 4.535,1100 13.353,1101 17.006,1103 26.865,1104 13.058,1105 2.239,1106 8.296,1107 23.674,1108 4.104,1109 14.505,1110 18.522,1111 1.599,1112 29.255,1113 14.192,1114 2.06,1115 6.917,1116 25.55,1117 3.811,1118 15.615,1119 19.966,1121 31.616,1122 15.284,1123 1.879,1124 5.688,1125 27.43,1126 2.966,1127 16.757,1128 21.466,1129 1.69,1130 33.998,1131 16.408,1132 1.751,1133 5.104,1134 29.314,1135 2.72,1136 17.883,1137 22.934,1139 36.369,1140 17.515,1141 8294,1142 16112,1143 19.997,1144 28.017,1145 45.875,1146 47.146,1147 47.186,1148 45.391,1149 45.11,1150 62.735,1151 2.117,1152 132.697,1153 42.582,1154 5.44,1155 5.678,1156 6.397,1157 5.2,1158 5.17,1159 7.535,1160 2.117,1161 18.113,1162 5.111,1163 13.046,1164 1.529,1165 1.572,1166 1.573,1167 1.513,1168 1.504,1169 2.091,1170 0.071,1171 4.423,1172 1.419,1173 4.13,1174 4.167,1175 4.119,1176 4.032,1177 8.211,1178 4.044,1179 3.946,1180 3.969,1181 3.94,1182 3.847,1183 8.191,1184 3.859,1185 3.801,1186 3.838,1187 3.885,1188 3.69,1189 7.428,1190 3.7,1191 3.381,1192 3.44,1193 3.408,1194 3.225,1195 5.1,1196 3.233,1197 3.294,1198 3.331,1199 3.298,1200 3.09,1201 4.986,1202 3.118,1203 2.937,1204 2.985,1205 3.117,1206 2.776,1207 4.504,1208 2.762,1209 2.889,1210 2.947,1211 2.913,1212 2.73,1213 4.402,1214 2.753,1215 2.859,1216 2.904,1217 2.797,1218 2.666,1219 4.304,1220 2.694,1221 0.153,1222 0.123,1223 0.224,1224 0.138,1225 0.106,1226 4.601,1227 0.151,1228 3.678,1229 0.035,1230 6.715,1231 0.364,1232 4.151,1233 0.104,1234 3.17,1235 4.535,1236 1.058,1237 10.929,1238 3.111,1239 1.933,1240 1.912,1241 1.995,1242 2.036,1243 1.13,1244 2.024,1245 1.88,1246 1.861,1247 1.956,1248 1.992,1249 1.042,1250 1.978,1251 1.772,1252 1.734,1253 1.856,1254 1.92,1255 0.904,1256 1.908,1257 1.4,1258 1.339,1259 1.54,1260 1.635,1261 0.542,1262 1.616,1263 1.19,1264 1.156,1265 1.321,1266 1.436,1267 0.325,1268 1.406,1269 0.997,1270 0.952,1271 1.149,1272 1.14,1273 0.259,1274 1.15,1275 0.832,1276 0.791,1277 1.035,1278 1.074,1279 0.104,1280 1.047,1281 0.827,1282 0.787,1283 1.006,1284 0.991,1285 0.072,1286 1.004,1287 4.111,1289 5.451,1290 2.398,1291 6.986,1292 4.727,1293 8.612,1294 6.843,1295 10.284,1298 6.074,1299 27.603,1305 2.391,1314 28.029,1315 70.657,1316 138.486,1317 173.77,1318 191.421,1319 191.421,1320 191.421,1321 58.093,1322 7.574,1323 70.67,1324 70.67,1325 23,1326 12.618,1327 4.585,1328 3.7,1329 40.143,1330 100,1331 87,1332 0.197,1333 173.153,1334 295.32,1335 414.252,1336 20617,1337 7.9,1338 18.966,1339 0.702,1340 0.533,1341 17.725,1342 14.389,1343 13.025,1344 0.434,1345 0.275,1346 7.781,1347 12.18,1348 7.652,1349 6.285,1350 12.492,1351 8.259,1352 12.064,1353 0.281,1354 0.142,1355 11.407,1356 6.104,1357 10.066,1358 0.174,1359 0.072,1360 9.466,1361 4.181,1362 9.221,1363 0.117,1364 0.038,1365 8.449,1366 3.013,1367 6.524,1368 0.072,1369 0.02,1370 6.554,1371 1.859,1372 0.306,1373 85.359,1374 0.224,1375 25.67,1376 0.549,1377 146,1378 584.117,1379 179.705,1380 546.233,1381 718.17,1382 506,1383 174,1384 495.673,1385 200.396,1386 499.893,1387 736.05,1388 471,1389 5.5}
{0 CHEMBL1991429,1 1.608,2 15.907,3 5.972,4 35.667,5 166.611,6 8.368,7 0.673,8 4.371,9 4.48,10 4.077,11 3.993,12 5.51,13 3.969,14 4.879,15 5.023,16 4.463,17 4.384,18 6.008,19 4.344,20 5.119,21 5.314,22 4.432,23 4.468,24 6.192,25 4.405,26 5.103,27 5.303,28 4.444,29 4.439,30 6.226,31 4.384,32 5.13,33 5.314,34 4.537,35 4.498,36 6.287,37 4.445,38 5.166,39 5.365,40 4.521,41 4.523,42 6.279,43 4.442,44 5.123,45 5.326,46 4.437,47 4.463,48 6.189,49 4.376,50 5.079,51 5.296,52 4.366,53 4.407,54 6.154,55 4.328,56 0.039,57 1.065,58 11.75,59 5.851,60 8.678,61 6.926,62 0.306,63 1.788,64 23.476,65 9.94,66 25.516,67 12.241,68 0.398,69 2.135,70 33.891,71 13.048,72 52.542,73 15.882,74 0.356,75 2.088,76 32.952,77 13.003,78 56.127,79 16.282,80 0.463,81 2.201,82 33.683,83 12.787,84 60.972,85 15.169,86 0.52,87 2.295,88 38.873,89 14.663,90 60.929,91 17.576,92 0.433,93 2.187,94 37.281,95 13.666,96 56.989,97 16.987,98 0.478,99 2.083,100 36.318,101 13.11,102 54.246,103 16.464,104 5,105 69,106 0.245,107 0.572,108 0.748,109 0.864,110 0.895,111 0.899,112 3.788,113 0.912,114 -5.1,115 -5,116 -4.68,119 47.1,121 3,125 1,142 14,143 2,144 3,145 1,146 2,150 1,151 2,152 1,158 2,162 1,172 14,174 3,175 11,178 3,180 5,183 15,187 1,188 7,193 4,196 8,199 1,200 16,203 1,205 5,208 9,212 1,213 12,216 2,218 2,221 11,224 3,225 8,228 3,230 4,233 13,237 1,238 7,241 1,243 5,246 12,249 3,250 11,255 1,258 11,263 2,264 9,267 1,268 1,269 1,272 13,276 4473,277 29.825,278 29.825,279 29.825,280 29.825,281 29.825,282 25.741,283 30.162,284 17.751,285 30.485,286 24.307,287 24.307,288 24.307,289 24.307,290 24.307,291 18.097,292 48.926,293 8.517,294 25.41,295 4.521,296 2.376,297 1.224,298 0.462,299 0.257,300 0.229,301 4.511,306 1,307 1535,308 3.536,311 317.531,312 530.037,314 166.458,319 2.789,320 35.188,323 0.75,324 0.5,325 0.83,326 0.5,328 0.83,329 1,330 0.63,331 91.5,332 684,333 4.738,334 3.766,335 7.021,336 4.267,337 3.327,338 4.68,339 1.987,340 12.063,341 3.144,342 4.269,343 3.628,344 6.465,345 3.983,346 3.025,347 3.798,348 1.94,349 10.009,350 2.893,351 4.128,352 3.328,353 6.027,354 3.736,355 2.76,356 3.751,357 0.555,358 8.634,359 2.697,360 4.065,361 2.907,362 5.817,363 3.628,364 2.693,365 3.65,366 0.4,367 8.16,368 2.578,369 3.955,370 2.729,371 5.577,372 3.572,373 2.591,374 3.475,375 0.324,376 7.599,377 2.498,378 3.815,379 2.671,380 5.529,381 3.403,382 2.45,383 3.145,385 7.395,386 2.317,387 3.68,388 2.601,389 5.313,390 3.277,391 2.31,392 3.052,394 6.827,395 2.221,396 3.487,397 2.405,398 5.172,399 3.062,400 2.109,401 2.786,403 6.253,404 1.995,405 3.334,406 2.257,407 4.844,408 2.916,409 1.911,410 2.585,412 5.254,413 1.909,414 3.188,415 2.031,416 4.681,417 2.77,418 1.801,419 2.405,421 5.056,422 1.729,423 2.905,424 1.63,425 4.521,426 2.427,427 1.447,428 2.093,430 4.205,431 1.419,432 2.889,433 1.561,434 4.345,435 2.345,436 1.419,437 2.059,439 3.852,440 1.329,441 2.831,442 1.468,443 3.796,444 2.326,445 1.353,446 1.958,448 2.987,449 1.286,450 2.682,451 1.431,452 3.575,453 2.209,454 1.223,455 1.758,457 2.843,458 1.199,459 2.651,460 1.252,461 3.519,462 2.148,463 1.17,464 1.72,466 2.615,467 1.142,468 20.8,469 0.484,470 0.914,471 0.021,472 63.5,473 1.477,474 34.5,475 0.802,476 29,477 0.674,478 35.443,479 0.824,480 42.8,481 0.611,482 53.074,483 1.234,484 12.275,485 0.285,486 8.827,487 0.205,488 0.032,490 0.327,496 0.756,497 1.229,498 0.691,499 0.899,500 0.556,501 0.826,502 0.61,503 1.168,504 0.847,505 1.053,506 0.56,507 0.974,508 1.228,509 1.031,510 0.951,511 0.909,512 1.156,513 0.951,514 1.094,515 1.062,516 0.783,517 0.874,518 1.044,519 0.897,520 1.323,521 1.016,522 0.933,523 0.885,524 1.298,525 0.913,526 1.011,527 0.982,528 1.075,529 0.995,530 0.971,531 0.96,532 0.958,533 1.151,534 1.056,535 1.088,536 0.869,537 1.045,538 0.867,539 0.989,540 1.001,541 0.927,542 0.658,543 0.905,544 7.5,545 0.33,546 3.556,547 3.132,548 2.003,549 1.087,550 0.975,551 0.495,552 0.526,553 0.274,554 35868,555 93602,556 2.21,557 38.6,559 16,560 2,561 1,562 2,563 4,564 2,567 1.818,568 2.132,569 3.921,570 0.114,577 112.551,578 1.608,579 3.754,580 4.905,581 5.667,582 5.872,583 5.901,584 3.392,585 5.147,586 5.393,587 4.135,588 3734.35,589 9.554,590 68816.8,595 429.05,596 1.155,597 5.384,598 0.153,599 0.006,600 0.052,601 0.047,602 0.029,603 0.015,604 0.014,605 0.008,606 0.008,607 0.005,608 0.337,609 0.17,610 0.75,611 0.332,612 249.022,613 -0.049,614 -0.154,615 0.062,616 -0.005,617 -0.04,618 0.019,619 0.217,620 -0.093,621 0.016,622 -0.126,623 0.055,624 -0.094,625 -0.16,626 -0.014,627 -0.058,628 0.007,629 -0.128,630 -0.015,631 -0.039,632 -0.066,633 0.082,634 0.029,635 0.012,636 0.051,637 -0.132,638 0.03,639 -0.01,640 0.038,641 -0.101,642 -0.004,643 0.021,644 0.059,645 -0.023,646 0.013,647 -0.02,648 -0.002,649 -0.025,650 -0.129,651 -0.034,652 -0.09,653 -0.049,654 -0.074,655 0.046,656 0.047,657 0.007,658 0.049,659 0.057,660 0.069,661 1.751,662 5.745,663 0.86,664 62.027,665 1.004,666 1.114,667 3.872,668 14.994,669 0.717,670 3.912,671 4.248,672 4.554,673 4.883,674 5.081,675 5.215,676 5.412,677 5.568,678 5.7,679 5.838,680 9.281,681 0.686,682 585.74,683 3.912,684 5.468,685 6.333,686 7.225,687 8.106,688 9.005,689 9.894,690 10.798,691 11.694,692 12.602,693 10,700 2,701 2,703 3,708 1,709 17,710 3,713 1,714 9,716 33,728 1,735 70,737 35,738 3,739 49,741 76,742 33,743 27,744 5,745 13,748 7,749 8,757 2,760 3,762 29,763 4,767 2,772 2,776 2,783 27,784 8,785 2,786 10,787 1,789 1,792 7,797 0.857,798 2,810 1,815 3,816 4,818 1,829 1,830 1,843 6,845 1,851 43,858 4,860 2,864 1,868 1,874 2.9,877 2,881 20.167,882 12.667,883 9.278,884 4.204,886 6.531,887 1.685,888 1.054,889 7.606,890 16.059,891 4.227,892 4.852,893 5.461,894 6.115,895 6.647,896 7.016,897 7.531,898 7.968,899 8.403,900 8.82,901 0.909,902 67,903 15.903,905 6.929,906 7.682,907 30.488,909 25.608,911 2.182,912 93.833,916 294.278,917 233.618,918 90.789,920 50.29,922 31.278,923 202.341,924 344.567,925 90.789,927 30.844,928 149.364,929 121.827,930 48.5,931 28.198,932 290.242,934 294.278,935 293.13,936 50.29,937 31.278,939 270.735,940 73.832,943 66.602,944 176.171,945 50.357,946 31.278,947 294.278,948 141.079,949 233.618,952 294.278,953 75.207,954 162.822,955 36.022,956 100.646,957 294.278,958 141.079,959 233.618,961 0.58,962 0.34,963 0.197,964 0.103,965 35,966 14,967 0.105,968 8,969 1,970 1.054,971 5.309,972 460.916,973 0.054,974 37,975 229.329,977 1,981 27.298,982 11.981,983 5.884,984 0.833,985 139.792,986 32.649,987 14.252,990 1.539,991 6.873,993 36.022,994 668.975,995 67.5,1000 24.999,1004 0.058,1007 70.28,1008 77.979,1009 0.262,1010 0.612,1011 0.8,1012 0.925,1013 0.958,1014 0.963,1015 5.461,1016 2.109,1017 6.308,1018 6.827,1019 4.934,1020 5.541,1021 2.707,1022 7.127,1023 4.851,1024 6.669,1025 1.911,1026 7.861,1027 6.253,1028 4.443,1029 5.263,1030 2.221,1031 8.011,1032 4.316,1033 7.973,1034 1.801,1035 9.513,1036 5.254,1037 6.526,1038 7.748,1039 3.706,1040 11.161,1041 6.357,1042 9.314,1043 1.447,1044 11.229,1045 5.056,1046 6.899,1047 8.337,1048 3.821,1049 12.947,1050 6.669,1051 10.688,1052 1.419,1053 12.987,1054 4.205,1055 8.412,1056 10.261,1057 4.912,1058 15.609,1059 8.148,1060 12.087,1061 1.353,1062 14.776,1063 3.852,1064 9.193,1065 11.29,1066 5.286,1067 17.786,1068 8.862,1069 13.506,1070 1.223,1071 16.589,1072 2.987,1073 10.479,1074 12.975,1075 6.189,1076 20.301,1077 10.111,1078 3.327,1079 1.17,1080 18.421,1081 2.843,1082 11.459,1083 14.242,1084 6.697,1085 22.65,1086 11.024,1087 3.025,1088 12.063,1089 20.268,1090 2.615,1091 12.657,1092 15.825,1093 7.499,1094 25.126,1095 12.178,1096 2.76,1097 10.009,1098 22.129,1099 4.68,1100 13.735,1101 17.22,1102 8.082,1103 27.549,1104 13.191,1105 2.693,1106 8.634,1107 24,1108 3.798,1109 14.906,1110 18.763,1111 8.829,1112 30.02,1113 14.312,1114 2.591,1115 8.16,1116 25.882,1117 3.751,1118 16.032,1119 20.227,1120 9.452,1121 32.475,1122 15.375,1123 2.45,1124 7.599,1125 27.771,1126 3.65,1127 17.199,1128 21.758,1129 10.169,1130 34.95,1131 16.487,1132 2.31,1133 7.395,1134 29.668,1135 3.475,1136 18.351,1137 23.257,1138 10.815,1139 37.421,1140 17.577,1141 32447,1142 52665,1143 34.096,1144 50.211,1145 74.287,1146 75.48,1147 74.857,1148 73.371,1149 73.494,1150 99.754,1151 10.413,1152 211.592,1153 70.51,1154 5.635,1155 5.766,1156 6.823,1157 5.412,1158 5.327,1159 7.68,1160 3.497,1161 19.437,1162 5.144,1163 13.237,1164 1.516,1165 1.54,1166 1.528,1167 1.497,1168 1.5,1169 2.036,1170 0.213,1171 4.318,1172 1.439,1173 4.161,1174 4.196,1175 4.359,1176 4.068,1177 7.43,1178 4.057,1179 3.977,1180 4.017,1181 3.943,1182 3.879,1183 7.426,1184 3.878,1185 3.931,1186 3.963,1187 3.881,1188 3.854,1189 5.101,1190 3.852,1191 3.849,1192 3.882,1193 3.82,1194 3.792,1195 4.924,1196 3.777,1197 3.781,1198 3.833,1199 3.764,1200 3.625,1201 4.754,1202 3.632,1203 3.689,1204 3.732,1205 3.614,1206 3.571,1207 4.718,1208 3.568,1209 3.463,1210 3.497,1211 3.413,1212 3.276,1213 4.693,1214 3.294,1215 3.175,1216 3.216,1217 3.27,1218 3.104,1219 4.141,1220 3.081,1221 0.097,1222 0.077,1223 0.143,1224 0.087,1225 0.068,1226 4.738,1227 0.096,1228 3.766,1229 0.041,1230 7.021,1231 0.246,1232 4.267,1233 0.064,1234 3.327,1235 4.68,1236 1.987,1237 12.063,1238 3.144,1239 1.943,1240 1.916,1241 2.051,1242 2.054,1243 1.183,1244 2.046,1245 1.912,1246 1.882,1247 2.014,1248 2.023,1249 1.17,1250 2.024,1251 1.896,1252 1.868,1253 2,1254 1.979,1255 1.125,1256 1.99,1257 1.768,1258 1.727,1259 1.85,1260 1.919,1261 1.09,1262 1.905,1263 1.563,1264 1.503,1265 1.83,1266 1.744,1267 0.92,1268 1.775,1269 1.476,1270 1.424,1271 1.594,1272 1.706,1273 0.71,1274 1.672,1275 1.403,1276 1.372,1277 1.577,1278 1.621,1279 0.706,1280 1.604,1281 1.35,1282 1.339,1283 1.515,1284 1.588,1285 0.635,1286 1.566,1287 4.595,1289 5.927,1290 3.434,1291 7.442,1292 5.778,1293 9.044,1294 7.854,1295 10.695,1303 2.475,1305 6.322,1309 1.812,1314 48.034,1315 112.551,1316 262.75,1317 343.382,1318 396.685,1319 411.05,1320 413.05,1321 66.981,1322 9.529,1323 104.52,1324 132.76,1325 39,1326 13.121,1327 5.17,1328 4.285,1329 58.175,1330 231,1331 269,1332 0.116,1333 292.482,1334 495.75,1335 705.415,1336 260536,1338 29.175,1339 0.678,1340 0.556,1341 29.528,1342 23.921,1343 21.102,1344 0.431,1345 0.304,1346 13.933,1347 20.003,1348 13.604,1349 11.224,1350 21.557,1351 14.892,1352 19.098,1353 0.277,1354 0.161,1355 19.682,1356 11.119,1357 16.298,1358 0.173,1359 0.085,1360 16.922,1361 8.032,1362 14.665,1363 0.112,1364 0.046,1365 15.373,1366 6.029,1367 11.374,1368 0.071,1369 0.024,1370 11.988,1371 3.823,1372 0.185,1373 135.473,1374 0.171,1375 38.299,1376 0.311,1377 236,1378 655.223,1379 279.477,1380 665.681,1381 930.04,1382 626,1383 281,1384 691.673,1385 320.014,1386 714.755,1387 1052.02,1388 676,1389 5.2}
{0 CHEMBL1991434,1 1.659,2 9.917,3 4.289,4 18.396,5 93.83,6 10.217,7 0.462,8 3.762,9 3.83,10 3.599,11 3.357,12 5.002,13 3.352,14 4.231,15 4.34,16 3.988,17 3.707,18 5.455,19 3.692,20 4.337,21 4.446,22 4.052,23 3.812,24 5.593,25 3.767,26 4.422,27 4.567,28 3.873,29 3.775,30 5.569,31 3.724,32 4.475,33 4.638,34 3.835,35 3.734,36 5.653,37 3.697,38 4.426,39 4.599,40 3.888,41 3.645,42 5.632,43 3.595,44 4.265,45 4.449,46 3.965,47 3.494,48 5.505,49 3.442,50 4.035,51 4.18,52 3.761,53 3.352,54 5.342,55 3.295,56 0.121,57 0.457,58 3.479,59 3.402,60 6.844,61 3.588,62 0.379,63 0.718,64 10.695,65 5.764,66 27.917,67 5.788,68 0.355,69 0.806,70 17.926,71 6.895,72 23.916,73 7.192,74 0.352,75 0.896,76 20.105,77 7.336,78 27.815,79 7.622,80 0.468,81 0.934,82 15.5,83 7.395,84 33.1,85 7.716,86 0.465,87 0.878,88 17.414,89 7.187,90 45.661,91 7.556,92 0.58,93 0.728,94 19.794,95 6.672,96 49.276,97 7.358,98 0.416,99 0.577,100 16.122,101 5.31,102 29.156,103 5.821,104 21,105 36,106 0.296,107 0.62,108 0.71,109 0.793,110 0.815,111 0.824,112 3.229,113 0.912,114 -4.72,115 -4.63,116 -4.35,117 1,119 47.4,124 2,135 1,136 1,142 7,143 2,144 3,157 1,158 1,166 1,172 9,174 1,175 6,183 12,187 2,188 10,196 11,200 11,208 7,213 12,221 6,225 7,233 8,237 3,238 2,246 7,249 3,250 4,258 3,264 4,272 2,276 828,277 16.326,278 16.326,279 16.326,280 16.326,281 16.326,282 14.368,283 14.352,284 9.467,285 16.926,286 12.674,287 12.674,288 12.674,289 12.674,290 12.674,291 9.562,292 13.516,293 4.3,294 13.47,295 3.588,296 1.767,297 1.261,298 0.796,299 0.671,300 0.619,301 3.908,305 1,306 1,307 502,308 2.646,311 69.24,312 152.645,319 1.424,320 22.851,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 52.25,332 238,333 4.505,334 4.207,335 6.687,336 4.132,337 3.146,338 4.057,339 2.612,340 10.791,341 3.096,342 4.254,343 3.227,344 6.164,345 3.838,346 2.886,347 3.879,348 0.933,349 9.122,350 2.749,351 3.95,352 3.188,353 5.681,354 3.495,355 2.536,356 3.475,357 0.86,358 7.542,359 2.43,360 3.583,361 2.947,362 5.215,363 3.172,364 2.218,365 2.918,366 0.86,367 6.48,368 2.114,369 3.457,370 2.724,371 5.012,372 3.015,373 2.093,374 2.718,376 5.91,377 1.803,378 2.919,379 2.349,380 4.376,381 2.521,382 1.609,383 2.057,385 4.131,386 1.461,387 2.854,388 2.166,389 4.338,390 2.279,391 1.31,392 1.867,394 3.726,395 1.225,396 2.68,397 1.759,398 3.932,399 2.131,400 1.17,401 1.576,403 3.046,404 1.107,405 2.5,406 1.128,407 3.414,408 2,409 1,410 1.5,412 2.275,413 1,414 1.907,415 1,416 3.105,417 1.61,418 0.707,419 0.823,421 1.317,422 0.631,423 1.509,424 0.955,425 2.904,426 1.236,427 0.367,428 0.4,430 0.541,431 0.313,432 1.428,433 0.929,434 2.562,435 1.078,436 0.118,437 0.148,439 0.243,440 0.105,441 1.049,442 0.353,443 2.454,444 0.652,445 -0.232,446 -0.279,448 -0.489,449 -0.153,450 0.913,451 0.194,452 2.231,453 0.409,454 -0.512,455 -0.672,457 -1.04,458 -0.442,459 0.599,460 -0.043,461 2,462 0.172,463 -0.784,464 -1.001,466 -1.943,467 -0.731,468 12.067,469 0.503,470 0.554,471 0.023,472 32.5,473 1.354,474 17.5,475 0.729,476 15,477 0.625,478 17.846,479 0.744,480 24.533,481 0.646,482 23.258,483 0.969,484 6.725,485 0.28,486 4.893,487 0.204,488 0.221,490 0.331,496 0.697,497 1.04,498 0.474,499 0.838,500 0.598,501 0.82,502 1.032,503 0.85,504 0.584,505 0.649,506 0.698,507 0.674,508 0.76,509 1.127,510 1.055,511 1.084,512 0.689,513 1.035,514 1.038,515 1.153,516 0.847,517 1.062,518 0.914,519 1.098,520 1.242,521 1.023,522 0.388,523 0.782,524 1,525 0.929,526 1.225,527 1.06,528 0.562,529 0.88,530 1.645,531 0.977,532 0.8,533 0.783,534 0.741,535 0.766,536 1.286,537 0.739,538 0.526,539 1.108,540 0.994,541 1.165,542 0.654,543 1.084,544 5,545 0.07,546 3.111,547 1.632,548 1.441,549 0.827,550 0.512,551 0.426,552 0.268,553 0.137,554 5971,555 21212,556 2.04,557 36.8,559 14,567 1.671,568 1.895,569 3.284,570 -0.74,572 1,577 63.06,578 1.659,579 3.481,580 3.987,581 4.451,582 4.577,583 4.629,584 2.709,585 4.418,586 4.556,587 3.399,588 938,589 7.875,590 10914.5,592 1,594 1,595 199.421,596 1.459,597 4.507,598 0.192,599 0.007,600 0.086,601 0.044,602 0.044,603 0.026,604 0.018,605 0.016,606 0.012,607 0.009,608 0.455,609 0.17,610 1,611 0.921,612 113.497,613 0.053,614 -0.033,615 0.006,616 -0.043,617 -0.035,618 -0.016,619 -0.044,620 0.142,621 0.036,622 0.209,623 0.038,624 0.194,625 0.075,626 -0.14,627 -0.094,628 -0.14,629 0.1,630 -0.136,631 -0.153,632 -0.149,633 -0.11,634 -0.175,635 -0.118,636 -0.181,637 -0.198,638 -0.03,639 0.005,640 0.026,641 -0.046,642 -0.011,643 -0.159,644 -0.073,645 0.035,646 -0.012,647 -0.184,648 -0.027,649 0.292,650 0.181,651 0.157,652 0.206,653 0.091,654 0.278,655 0.438,656 -0.153,657 0.032,658 -0.179,659 0.351,660 -0.111,661 2.15,662 5.037,663 0.708,664 19.333,665 1.022,666 1.107,667 3.486,668 12.155,669 0.724,670 3.296,671 3.611,672 3.892,673 4.127,674 4.317,675 4.344,676 4.431,677 4.543,678 4.605,679 4.489,680 5.756,681 0.7,682 388.23,683 3.296,684 4.828,685 5.68,686 6.555,687 7.426,688 8.306,689 9.183,690 10.065,691 10.946,692 11.829,693 2.6,702 1,709 7,714 5,716 12,720 1,733 2,734 1,735 38,737 15,738 2,739 26,740 1,741 40,742 18,743 12,744 5,745 7,746 4,748 3,749 3,762 16,763 2,767 3,772 1,774 1,775 1,776 3,780 1,783 14,784 5,786 6,787 1,792 1,797 1,798 4,815 1,816 2,834 1,835 1,843 3,846 1,847 2,851 24,861 3,873 1,874 10.5,877 1,879 3,881 12.667,882 7.676,883 5.444,884 2.036,886 3.098,887 1.444,888 0.968,889 5.023,890 10.084,891 3.584,892 4.174,893 4.766,894 5.295,895 5.824,896 6.064,897 6.43,898 6.798,899 7.136,900 7.308,901 0.857,902 37,903 8.796,905 3.655,906 7.858,907 16.43,909 12.891,911 2.358,912 56.583,916 164.795,917 130.623,918 65.354,920 58.363,923 176.577,924 223.159,925 19.4,926 21.766,928 75.81,929 35.093,930 75.717,932 164.795,933 45.954,934 164.795,935 150.023,936 58.363,938 45.954,939 164.795,940 58.363,943 19.4,944 121.147,945 9.476,946 45.954,947 164.795,948 77.763,949 176.577,952 164.795,953 33.047,954 97.576,955 45.954,956 77.763,957 164.795,958 77.763,959 176.577,961 0.576,962 0.351,963 0.187,964 0.101,965 17,966 8,967 0.1,968 4,970 1,971 3.552,972 193.367,974 17,975 106.039,981 16.743,982 7.199,983 3.551,985 77.763,986 12.905,991 3.736,994 419.136,995 35,1000 12.037,1002 1.72,1003 3.898,1004 0.412,1007 38.825,1008 42.084,1009 0.316,1010 0.663,1011 0.76,1012 0.848,1013 0.872,1014 0.882,1015 4.812,1016 1.17,1017 5.666,1018 3.726,1019 4.29,1020 4.86,1021 2.963,1022 6.479,1023 4.191,1024 6.029,1025 1,1026 7.231,1027 3.046,1028 3.892,1029 4.649,1031 7.402,1032 3.727,1033 7.344,1034 0.707,1035 8.892,1036 2.275,1037 5.889,1038 7.044,1039 4.584,1040 10.48,1041 5.731,1042 8.695,1043 0.367,1044 10.612,1045 1.317,1046 6.312,1047 7.622,1049 12.233,1050 6.105,1051 10.075,1052 0.118,1053 12.368,1054 0.541,1055 7.771,1056 9.487,1057 6.461,1058 14.833,1059 7.571,1060 11.477,1061 -0.232,1062 14.15,1063 0.243,1064 8.566,1065 10.433,1067 16.932,1068 8.331,1069 12.894,1070 -0.512,1071 15.951,1072 -0.489,1073 9.815,1074 12.064,1075 8.376,1076 19.373,1077 9.58,1078 3.146,1079 -0.784,1080 17.768,1081 -1.04,1082 10.785,1083 13.203,1085 21.62,1086 10.523,1087 2.886,1088 10.791,1089 19.596,1090 -1.943,1091 11.951,1092 14.715,1093 10.296,1094 24.008,1095 11.684,1096 2.536,1097 9.122,1098 21.434,1099 4.057,1100 13.003,1101 15.96,1103 26.321,1104 12.715,1105 2.218,1106 7.542,1107 23.28,1108 3.879,1109 14.139,1110 17.411,1111 12.217,1112 28.692,1113 13.842,1114 2.093,1115 6.48,1116 25.133,1117 3.475,1118 15.23,1119 18.716,1121 31.035,1122 14.915,1123 1.609,1124 5.91,1125 26.991,1126 2.918,1127 16.357,1128 20.135,1129 14.137,1130 33.404,1131 16.032,1132 1.31,1133 4.131,1134 28.854,1135 2.718,1136 17.467,1137 21.473,1139 35.761,1140 17.127,1141 5912,1142 11275,1143 17.107,1144 27.506,1145 38.784,1146 41.823,1147 40.732,1148 38.493,1149 38.32,1150 50.836,1151 10.531,1152 110.249,1153 36.066,1154 5.359,1155 6.207,1156 6.24,1157 5.155,1158 5.146,1159 7.057,1160 5.225,1161 17.859,1162 5.096,1163 12.569,1164 1.492,1165 1.609,1166 1.567,1167 1.48,1168 1.474,1169 1.955,1170 0.405,1171 4.24,1172 1.387,1173 4.009,1174 4.023,1175 6.88,1176 3.942,1177 7.433,1178 3.941,1179 3.885,1180 3.901,1181 3.96,1182 3.831,1183 4.975,1184 3.823,1185 3.654,1186 3.658,1187 3.803,1188 3.509,1189 4.897,1190 3.528,1191 3.257,1192 3.314,1193 3.558,1194 3.014,1195 4.655,1196 3.024,1197 3.247,1198 3.312,1199 3.117,1200 2.951,1201 4.496,1202 2.959,1203 2.932,1204 2.97,1205 3.051,1206 2.876,1207 4.347,1208 2.838,1209 2.875,1210 2.925,1211 2.762,1212 2.735,1213 3.831,1214 2.715,1215 2.854,1216 2.888,1217 2.729,1218 2.686,1219 3.713,1220 2.685,1221 0.173,1222 0.162,1223 0.257,1224 0.159,1225 0.121,1226 4.505,1227 0.156,1228 4.207,1229 0.1,1230 6.687,1231 0.415,1232 4.132,1233 0.119,1234 3.146,1235 4.057,1236 2.612,1237 10.791,1238 3.096,1239 1.937,1240 1.921,1241 2.012,1242 2.014,1243 1.142,1244 2.015,1245 1.872,1246 1.855,1247 1.953,1248 1.948,1249 1.072,1250 1.958,1251 1.471,1252 1.462,1253 1.608,1254 1.628,1255 0.674,1256 1.614,1257 1.192,1258 1.117,1259 1.576,1260 1.523,1261 0.574,1262 1.539,1263 1.173,1264 1.104,1265 1.475,1266 1.445,1267 0.55,1268 1.453,1269 1.035,1270 1.031,1271 1.181,1272 1.372,1273 0.218,1274 1.276,1275 0.886,1276 0.821,1277 1.101,1278 1.062,1279 0.196,1280 1.107,1281 0.824,1282 0.775,1283 1.053,1284 1.008,1285 0.141,1286 1.041,1287 3.97,1289 5.283,1290 2.398,1291 6.795,1292 4.727,1293 8.392,1294 6.804,1295 10.034,1296 3.386,1297 3.135,1306 15.355,1314 26.593,1315 63.06,1316 132.26,1317 151.505,1318 169.157,1319 173.911,1320 175.911,1321 38.255,1322 6.986,1323 61.56,1324 61.56,1325 17,1326 12.363,1327 4,1328 3.322,1329 39.175,1330 81,1331 85,1332 0.236,1333 169.599,1334 302.76,1335 405.581,1336 9298,1337 2.6,1338 17.104,1339 0.713,1340 0.611,1341 18.104,1342 14.663,1343 11.618,1344 0.447,1345 0.304,1346 7.027,1347 10.486,1348 6.763,1349 5.645,1350 12.195,1351 7.908,1352 10.154,1353 0.282,1354 0.164,1355 10.97,1356 5.914,1357 8.805,1358 0.183,1359 0.085,1360 9.382,1361 4.06,1362 7.072,1363 0.116,1364 0.043,1365 7.406,1366 2.599,1367 5.66,1368 0.076,1369 0.024,1370 6.088,1371 1.805,1372 0.365,1373 82.248,1374 0.242,1375 23.248,1376 0.663,1377 124,1378 441.242,1379 203.216,1380 450.46,1381 598.71,1382 420,1383 146,1384 411.484,1385 188.388,1386 427.124,1387 618.57,1388 397,1389 5.1}
{0 CHEMBL1991577,1 1.508,2 9.227,3 2.327,4 5.416,5 85.913,6 6.963,7 0.25,8 3.85,9 3.971,10 3.349,11 3.375,12 4.934,13 3.345,14 4.372,15 4.56,16 3.647,17 3.729,18 5.359,19 3.665,20 4.675,21 4.927,22 3.68,23 3.839,24 5.707,25 3.729,26 4.657,27 4.924,28 3.54,29 3.794,30 5.569,31 3.661,32 4.591,33 4.85,34 3.579,35 3.749,36 5.53,37 3.648,38 4.547,39 4.763,40 3.589,41 3.679,42 5.674,43 3.616,44 4.506,45 4.717,46 3.47,47 3.579,48 5.68,49 3.511,50 4.41,51 4.641,52 3.197,53 3.49,54 5.462,55 3.368,56 0.043,57 0.624,58 9.641,59 4.071,60 10.87,61 5.501,62 0.063,63 0.987,64 17.069,65 6.437,66 14.613,67 9.306,68 0.405,69 1.195,70 24.825,71 8.276,72 57.829,73 12.482,74 0.342,75 1.136,76 24.586,77 8.342,78 45.367,79 12.461,80 0.184,81 1.063,82 22.818,83 7.781,84 32.999,85 11.5,86 0.261,87 0.998,88 22.009,89 6.865,90 46.976,91 9.712,92 0.406,93 0.909,94 21.622,95 6.501,96 61.23,97 8.911,98 0.335,99 0.817,100 19.531,101 6.315,102 51.597,103 8.824,104 10,105 33,106 0.266,107 0.587,108 0.716,109 0.775,110 0.806,111 0.814,112 3.147,113 0.983,114 -2.74,115 -2.76,116 -2.67,119 39.5,120 1,121 5,122 1,127 1,138 2,142 2,144 1,145 2,156 2,172 6,175 6,183 8,187 1,188 2,191 2,192 1,196 5,199 1,200 2,203 2,208 2,213 5,218 4,221 1,225 2,230 6,237 1,238 2,241 1,243 4,246 4,250 1,253 1,255 3,258 4,264 2,269 1,272 4,276 684,277 14.897,278 14.897,279 14.897,280 14.897,281 14.897,282 13.481,283 14.61,284 8.93,285 15.134,286 11.83,287 11.83,288 11.83,289 11.83,290 11.83,291 9.739,292 22.014,293 4.26,294 12.255,295 3.918,296 2.098,297 1.366,298 1.029,299 0.855,300 0.808,301 3.823,304 1,305 1,306 1,307 434,308 2.828,310 56.815,312 152.625,319 1.43,320 23.393,321 1,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 47.5,332 203,333 4.68,334 3.61,335 6.957,336 4.265,337 3.307,338 4.225,339 0.6,340 11.657,341 3.161,342 3.917,343 2.866,344 6.022,345 3.748,346 2.763,347 3.465,348 0.6,349 8.561,350 2.722,351 3.794,352 2.658,353 5.409,354 3.455,355 2.488,356 2.847,358 7.095,359 2.403,360 3.153,361 2.135,362 4.961,363 2.823,364 1.853,365 2.303,367 5.078,368 1.796,369 3.107,370 1.947,371 4.822,372 2.533,373 1.609,374 2.17,376 4.499,377 1.482,378 2.725,379 1.679,380 4.196,381 2.402,382 1.448,383 1.74,385 3.649,386 1.373,387 2.611,388 1.445,389 3.602,390 2.209,391 1.279,392 1.586,394 2.971,395 1.184,396 2.5,397 1.15,398 3.457,399 2,400 1,401 1.5,403 2.391,404 1,405 2,406 1,407 3.247,408 1.984,409 1,410 1,412 2.136,413 0.983,414 1.99,415 1,416 3.247,417 1.946,418 0.975,419 0.984,421 2.136,422 0.942,423 1.532,424 0.793,425 2.931,426 1.093,427 0.204,428 0.256,430 0.496,431 0.18,432 0.913,433 -0.14,434 2.587,435 0.558,436 -0.382,437 -0.45,439 -0.946,440 -0.357,441 0.5,442 -0.555,443 2,444 0.255,445 -0.735,446 -0.745,448 -1.601,449 -0.72,450 0.474,451 -0.754,452 1.843,453 0.084,454 -0.86,455 -0.923,457 -2.117,458 -0.816,459 0.248,460 -0.87,461 1.582,463 -1,464 -1,466 -2.347,467 -0.946,468 10.367,469 0.471,470 0.507,471 0.023,472 25,473 1.136,474 11,475 0.5,476 14,477 0.636,478 19.902,479 0.905,480 24.433,481 0.568,482 15.458,483 0.703,484 4.389,485 0.199,486 6.276,487 0.285,488 0.113,490 0.338,496 0.94,497 1.31,498 0.879,499 1.107,500 0.95,501 1.009,502 0.706,503 1.386,504 0.898,505 1.212,506 0.584,507 1.097,508 0.529,509 1.013,510 0.873,511 0.992,512 0.425,513 0.977,514 0.651,515 0.889,516 0.907,517 0.937,518 0.63,519 0.954,520 0.816,521 0.962,522 0.803,523 0.927,524 0.757,525 0.866,526 1.624,527 1.09,528 1.114,529 1.051,530 1.64,531 1.014,532 1.973,533 0.942,534 1.261,535 0.99,536 2.165,537 1.031,538 1.624,539 0.942,540 1.28,541 1.04,542 1.817,543 1.115,544 3.5,545 0.016,546 2.444,547 1.875,548 1.124,549 0.91,550 0.489,551 0.337,552 0.164,553 0.04,554 5028,555 11706,556 2.07,557 48.8,558 10,559 3,561 2,562 2,564 4,567 1.647,568 1.941,569 3.222,570 0.304,571 1,572 1,574 1,577 64.849,578 1.508,579 3.328,580 4.06,581 4.397,582 4.571,583 4.618,584 2.698,585 3.295,586 4.432,587 3.33,588 769.18,589 7.622,590 8559.71,592 1,594 1,595 233.329,596 1.395,597 4.392,598 0.146,599 0.002,600 0.079,601 0.063,602 0.043,603 0.032,604 0.018,605 0.015,606 0.01,607 0.003,608 0.411,609 0.67,610 1,611 0.595,612 101.341,613 -0.094,614 -0.091,615 0.022,616 0.037,617 -0.082,618 0.04,620 -0.256,621 0.017,622 -0.152,623 0.061,624 -0.078,625 0.277,627 0.088,628 -0.019,629 0.305,630 0.003,631 0.126,632 0.086,633 0.053,634 0.034,635 0.09,636 0.032,637 0.014,638 0.007,639 0.161,640 0.058,641 0.049,642 0.127,643 -0.198,644 -0.092,645 -0.093,646 -0.089,647 -0.138,648 -0.074,649 -0.213,650 0.02,651 -0.201,652 -0.05,653 -0.251,654 -0.118,655 -0.199,656 -0.01,657 -0.26,658 -0.074,659 -0.258,660 -0.166,661 1.841,662 3.878,663 0.727,664 16.81,665 0.998,666 1.131,667 1.511,668 2.283,669 0.646,670 3.219,671 3.526,672 3.807,673 3.97,674 4.127,675 4.111,676 4.19,677 4.205,678 4.234,679 4.174,680 5.552,681 0.61,682 299.41,683 3.219,684 4.745,685 5.595,686 6.466,687 7.339,688 8.221,689 9.105,690 9.995,691 10.885,692 11.78,693 7,702 2,703 1,709 4,710 1,714 1,716 6,735 43,737 9,739 24,741 45,742 17,743 5,746 4,748 3,749 3,754 1,757 5,758 1,760 6,762 9,763 8,764 1,767 3,775 2,776 4,779 1,780 1,783 21,784 5,785 2,786 5,792 3,797 1,798 2,809 1,814 1,816 2,826 2,834 2,841 2,843 3,847 1,851 22,857 2,858 5,863 2,874 4.7,876 2,881 11.333,882 7.75,883 4.889,884 2.867,886 2.451,887 1.368,888 0.911,889 4.464,890 9.11,891 3.434,892 3.961,893 4.508,894 4.95,895 5.399,896 5.611,897 5.996,898 6.319,899 6.623,900 6.763,901 1,902 30,903 8.169,905 3.507,906 7.75,907 15.772,909 13.229,911 2.25,912 49.5,915 1,916 223.651,917 66.815,918 50.357,920 85.367,923 66.815,924 309.018,925 50.357,926 8.825,927 12.673,928 18.952,929 131.208,930 54.423,932 200.109,934 223.651,935 117.172,936 85.367,939 176.567,940 132.451,943 73.164,944 27.223,945 16.786,947 223.651,948 135.723,949 66.815,952 223.651,953 20.943,954 45.873,956 135.723,957 223.651,958 135.723,959 66.815,961 0.577,962 0.344,963 0.176,964 0.093,965 16,966 7,967 0.067,968 3,970 1,971 3.505,972 167.045,974 16,975 90.107,981 15.079,982 6.513,983 3.187,985 135.723,986 6.774,987 3.936,991 0.682,993 85.367,994 426.19,995 30,1003 8.971,1004 0.473,1007 42.912,1008 48.651,1009 0.278,1010 0.613,1011 0.748,1012 0.81,1013 0.842,1014 0.851,1015 4.677,1016 1,1017 5.572,1018 2.971,1019 4.205,1020 4.644,1021 0.892,1022 6.385,1023 4.131,1024 5.861,1025 1,1026 7.135,1027 2.391,1028 3.761,1029 4.311,1031 7.302,1032 3.643,1033 7.167,1034 0.975,1035 8.807,1036 2.136,1037 5.814,1038 6.754,1039 0.418,1040 10.508,1041 5.675,1042 8.516,1043 0.204,1044 10.546,1045 2.136,1046 6.275,1047 7.33,1049 12.332,1050 6.081,1051 9.909,1052 -0.382,1053 12.33,1054 0.496,1055 7.776,1056 9.211,1057 0.171,1058 15.059,1059 7.562,1060 11.331,1061 -0.735,1062 14.148,1063 -0.946,1064 8.641,1065 10.221,1067 17.241,1068 8.367,1069 12.778,1070 -0.86,1071 15.989,1072 -1.601,1073 9.931,1074 11.858,1075 0.065,1076 19.803,1077 9.63,1078 3.307,1079 -1,1080 17.85,1081 -2.117,1082 10.975,1083 13.081,1085 22.136,1086 10.615,1087 2.763,1088 11.657,1089 19.725,1090 -2.347,1091 12.189,1092 14.608,1093 0.024,1094 24.636,1095 11.793,1096 2.488,1097 8.561,1098 21.612,1099 4.225,1100 13.311,1101 15.937,1103 27.035,1104 12.86,1105 1.853,1106 7.095,1107 23.508,1108 3.465,1109 14.501,1110 17.414,1111 0.009,1112 29.51,1113 14.007,1114 1.609,1115 5.078,1116 25.411,1117 2.847,1118 15.658,1119 18.796,1121 31.939,1122 15.112,1123 1.448,1124 4.499,1125 27.321,1126 2.303,1127 16.843,1128 20.251,1129 0.003,1130 34.403,1131 16.251,1132 1.279,1133 3.649,1134 29.236,1135 2.17,1136 18.017,1137 21.661,1139 36.846,1140 17.375,1141 4892,1142 7649,1143 16.008,1144 27.779,1145 36.52,1146 36.606,1147 37.205,1148 35.831,1149 35.85,1150 44.153,1151 2.4,1152 101.335,1153 34.452,1154 5.68,1155 5.61,1156 6.759,1157 5.3,1158 5.307,1159 7.225,1160 1.2,1161 19.657,1162 5.161,1163 9.671,1164 1.522,1165 1.525,1166 1.55,1167 1.493,1168 1.494,1169 1.84,1170 0.1,1171 4.222,1172 1.436,1173 3.994,1174 4.031,1175 3.957,1176 3.872,1177 6.539,1178 3.886,1179 3.866,1180 3.916,1181 3.759,1182 3.759,1183 6.391,1184 3.752,1185 3.754,1186 3.787,1187 3.687,1188 3.636,1189 4.957,1190 3.647,1191 3.424,1192 3.495,1193 3.257,1194 3.27,1195 4.667,1196 3.256,1197 3.111,1198 3.206,1199 2.866,1200 2.941,1201 4.327,1202 2.91,1203 2.959,1204 3.064,1205 2.815,1206 2.767,1207 4.134,1208 2.734,1209 2.865,1210 2.925,1211 2.698,1212 2.735,1213 3.763,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.591,1219 3.674,1220 2.637,1221 0.195,1222 0.15,1223 0.29,1224 0.178,1225 0.138,1226 4.68,1227 0.176,1228 3.61,1229 0.025,1230 6.957,1231 0.486,1232 4.265,1233 0.132,1234 3.307,1235 4.225,1236 0.6,1237 11.657,1238 3.161,1239 1.929,1240 1.889,1241 2.121,1242 2.07,1243 1.518,1244 2.083,1245 1.857,1246 1.817,1247 1.951,1248 1.995,1249 1.063,1250 1.99,1251 1.709,1252 1.68,1253 1.821,1254 1.858,1255 0.959,1256 1.846,1257 1.434,1258 1.366,1259 1.677,1260 1.631,1261 0.825,1262 1.657,1263 1.153,1264 1.064,1265 1.513,1266 1.376,1267 0.817,1268 1.429,1269 1.004,1270 0.904,1271 1.397,1272 1.248,1273 0.628,1274 1.305,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.73,1282 0.667,1283 0.904,1284 1.046,1285 0.05,1286 0.996,1287 3.892,1289 5.242,1291 6.817,1293 8.479,1295 10.185,1297 2.079,1302 19.711,1303 6.187,1308 0.687,1314 26.235,1315 64.849,1316 143.116,1317 174.6,1318 189.065,1319 196.574,1320 198.574,1321 40.983,1322 6.659,1323 78.07,1324 78.07,1325 16,1326 12.307,1327 3.322,1328 2.807,1329 34.383,1330 71,1331 68,1332 0.233,1333 162.471,1334 289.42,1335 388.189,1336 6218,1338 15.527,1339 0.706,1340 0.579,1341 15.527,1342 12.736,1343 10.665,1344 0.444,1345 0.328,1346 7.785,1347 10.336,1348 7.613,1349 6.329,1350 10.665,1351 7.864,1352 9.397,1353 0.285,1354 0.181,1355 9.397,1356 5.979,1357 8.159,1358 0.185,1359 0.101,1360 8.159,1361 4.466,1362 6.215,1363 0.12,1364 0.058,1365 6.215,1366 3.025,1367 4.835,1368 0.079,1369 0.034,1370 4.835,1371 2.089,1372 0.36,1373 66.459,1374 0.25,1375 21.755,1376 0.651,1377 114,1378 307.235,1379 123.703,1380 300.154,1381 410.81,1382 280,1383 134,1384 304.455,1385 144.895,1386 308.003,1387 452.3,1388 291,1389 5.1}
{0 CHEMBL1991640,1 1.85,2 9.964,3 4.047,4 16.374,5 105.392,6 9.29,7 0.375,8 3.918,9 4.011,10 3.711,11 3.538,12 5.122,13 3.532,14 4.427,15 4.555,16 4.091,17 3.923,18 5.658,19 3.899,20 4.673,21 4.839,22 4.282,23 4.03,24 6.002,25 4.019,26 4.727,27 4.873,28 4.36,29 4.063,30 6.264,31 4.051,32 4.761,33 4.925,34 4.255,35 4.027,36 6.261,37 4.006,38 4.702,39 4.884,40 4.076,41 3.867,42 6.095,43 3.861,44 4.6,45 4.793,46 3.907,47 3.65,48 6.216,49 3.644,50 4.309,51 4.523,52 3.446,53 3.499,54 5.573,55 3.424,56 0.145,57 0.79,58 5.927,59 3.793,60 17.468,61 3.858,62 0.311,63 1.287,64 12.821,65 6.821,66 34.236,67 7.111,68 0.645,69 1.665,70 20.085,71 8.885,72 65.081,73 9.41,74 0.901,75 1.908,76 21.374,77 9.714,78 133.111,79 9.248,80 0.97,81 1.939,82 27.062,83 10.804,84 159.865,85 9.965,86 0.775,87 1.728,88 21.847,89 8.914,90 101.974,91 8.659,92 1.121,93 1.592,94 24.323,95 8.75,96 187.09,97 7.738,98 0.653,99 1.131,100 18.851,101 6.911,102 92.374,103 6.648,104 17,105 48,106 0.318,107 0.683,108 0.789,109 0.843,110 0.854,111 0.854,112 3.376,113 0.912,114 -3.83,115 -3.79,116 -3.6,119 46.5,121 2,125 1,127 1,136 1,139 1,142 6,143 2,144 4,157 1,158 1,172 8,175 7,178 1,180 2,183 7,188 2,191 1,193 3,196 4,199 3,200 1,203 2,205 4,208 4,213 1,218 4,221 3,225 5,228 1,230 3,233 3,238 2,242 1,246 4,250 3,253 1,258 6,264 3,269 1,272 7,276 1140,277 19.052,278 19.052,279 19.052,280 19.052,281 19.052,282 17.062,283 23.819,284 10.877,285 19.379,286 15.757,287 15.757,288 15.757,289 15.757,290 15.757,291 12.573,292 32.466,293 5.136,294 16.32,295 3.577,296 1.457,297 0.843,298 0.529,299 0.465,300 0.465,301 4.073,305 1,306 1,307 628,308 2.828,309 33.817,311 55.394,312 194.435,315 92.152,316 96.147,319 1.543,320 50.744,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 62.5,332 279,333 4.777,334 4.264,335 7.277,336 4.443,337 3.481,338 4.418,339 1.283,340 12.978,341 3.359,342 4.364,343 3.574,344 6.638,345 3.956,346 2.998,347 3.9,348 0.98,349 10.484,350 2.873,351 3.922,352 3.497,353 6.355,354 3.781,355 2.804,356 3.444,357 0.657,358 9.522,359 2.72,360 3.889,361 3.246,362 6.014,363 3.521,364 2.529,365 3.122,366 0.309,367 8.29,368 2.508,369 3.742,370 2.99,371 5.4,372 3.371,373 2.386,374 3.016,376 6.946,377 2.337,378 3.383,379 2.736,380 5.333,381 3.097,382 2.142,383 2.57,385 6.533,386 2.028,387 3.136,388 2.626,389 5.061,390 2.738,391 1.806,392 2.184,394 5.449,395 1.656,396 2.972,397 2.167,398 4.661,399 2.58,400 1.589,401 2.109,403 4.414,404 1.557,405 2.898,406 1.721,407 3.987,408 2.472,409 1.475,410 1.983,412 3.203,413 1.463,414 2.5,415 1.545,416 3.849,417 2,418 1,419 1.5,421 2.513,422 1,423 2.084,424 1.383,425 3.629,426 1.885,427 0.953,428 1.034,430 2.257,431 0.873,432 2.005,433 1.267,434 3.397,435 1.806,436 0.895,437 0.963,439 2.136,440 0.802,441 1.929,442 1,443 3.247,444 1.453,445 0.434,446 0.582,448 1.159,449 0.436,450 1.284,451 0.784,452 3.128,453 0.98,454 0.044,455 0.052,457 0.111,458 0.04,459 1.166,460 0.541,461 2.849,462 0.817,463 -0.097,464 -0.111,466 -0.261,467 -0.086,468 13.271,469 0.474,470 0.785,471 0.028,472 36,473 1.286,474 17.5,475 0.625,476 18.5,477 0.661,478 24.315,479 0.868,480 29.329,481 0.682,482 27.897,483 0.996,484 6.85,485 0.245,486 6.709,487 0.24,488 0.093,490 0.445,494 2,496 0.575,497 0.939,498 0.612,499 0.86,500 0.49,501 0.775,502 0.625,503 1.051,504 0.802,505 1.042,506 0.547,507 0.964,508 0.793,509 0.893,510 0.667,511 0.853,512 0.846,513 0.787,514 0.947,515 1.124,516 0.901,517 1.025,518 0.989,519 0.934,520 1.188,521 1.302,522 1.189,523 1.199,524 1.171,525 1.06,526 1.332,527 1.266,528 1.027,529 1.07,530 1.315,531 1.094,532 1.632,533 1.244,534 1.136,535 0.934,536 1.689,537 0.991,538 1.51,539 1.033,540 1.366,541 0.919,542 1.426,543 1.047,544 4.5,545 0.101,546 3.167,547 2.306,548 2.523,549 1.469,550 0.923,551 0.391,552 0.287,553 0.155,554 9340,555 29421,556 2.155,557 34.9,559 9,562 2,564 4,567 1.716,568 2,569 3.205,570 0.282,572 1,577 79.533,578 1.85,579 3.969,580 4.583,581 4.897,582 4.961,583 4.961,584 2.708,585 4.593,586 4.775,587 3.395,588 1283.4,589 8.336,590 15955.2,592 1,594 1,595 233.329,596 1.449,597 4.733,598 0.141,599 0.006,600 0.07,601 0.044,602 0.048,603 0.031,604 0.023,605 0.013,606 0.013,607 0.007,608 0.395,609 0.33,610 0.88,611 0.573,612 137.082,613 -0.042,614 -0.049,615 0.051,616 0.018,617 -0.018,618 0.054,619 0.002,620 -0.163,621 0.006,622 -0.115,623 0.018,624 -0.073,625 0.088,626 0.062,627 0.221,628 0.075,629 0.001,630 0.151,631 0.153,632 -0.019,633 0.081,634 -0.027,635 0.112,636 -0.029,637 0.022,638 -0.09,639 -0.112,640 -0.144,641 0.032,642 -0.112,643 -0.142,644 -0.158,645 -0.11,646 -0.16,647 -0.131,648 -0.168,649 -0.067,650 0.014,651 -0.086,652 0.045,653 -0.048,654 -0.032,655 -0.274,656 0.173,657 -0.308,658 0.096,659 -0.218,660 -0.032,661 2.522,662 7.45,663 0.786,664 24.214,665 1.029,666 1.126,667 2.605,668 6.783,669 0.716,670 3.497,671 3.892,672 4.234,673 4.595,674 4.89,675 5.088,676 5.263,677 5.366,678 5.447,679 5.455,680 5.79,681 0.701,682 399.45,683 3.497,684 5.081,685 5.989,686 6.919,687 7.847,688 8.788,689 9.727,690 10.674,691 11.62,692 12.571,693 7,698 1,699 1,700 1,709 6,714 6,716 12,721 1,728 1,730 1,734 2,735 43,737 15,738 2,739 32,741 47,742 20,743 12,744 6,745 6,746 4,748 5,749 8,757 3,760 3,762 16,763 4,767 3,772 2,776 4,780 1,781 2,783 15,784 7,785 2,786 8,787 1,792 3,797 0.6,798 2,813 1,815 1,816 3,819 1,820 1,835 1,843 3,845 1,849 2,851 28,855 1,858 3,860 2,862 1,863 1,864 1,873 2,874 4.7,877 2,881 14,882 7.819,883 5.972,884 2.641,886 2.523,887 1.317,888 1.056,889 4.181,890 10.472,891 3.738,892 4.357,893 4.952,894 5.53,895 6.06,896 6.375,897 6.751,898 7.054,899 7.415,900 7.607,901 0.857,902 52,903 10.607,905 5.032,906 8.119,907 19.478,909 17.081,911 2.619,912 73.333,915 1,916 153.024,917 140.286,918 37.54,920 50.29,921 29.92,922 31.981,923 108.305,924 203.314,925 67.46,927 23.58,928 56.857,929 78.139,930 37.558,931 29.92,932 185.005,934 153.024,935 145.845,936 80.21,937 31.981,939 135.86,940 97.374,943 23.58,944 104.254,945 18.011,946 31.981,947 182.945,948 87.83,949 140.286,952 153.024,953 83.428,954 59.982,955 34.416,956 80.21,957 153.024,958 117.75,959 140.286,961 0.597,962 0.355,963 0.204,964 0.113,965 27,966 12,967 0.085,968 4,969 2,970 1.182,971 3.867,972 270.641,973 0.182,974 22,975 128.606,977 1,981 17.716,982 6.609,983 2.935,985 117.75,986 10.292,991 -1.118,993 34.416,994 411.06,995 41,1000 24.856,1004 -0.789,1007 44.247,1008 48.42,1009 0.341,1010 0.731,1011 0.845,1012 0.902,1013 0.914,1014 0.914,1015 5.03,1016 1.589,1017 6.009,1018 5.449,1019 4.575,1020 5.043,1021 1.961,1022 6.927,1023 4.505,1024 6.266,1025 1.475,1026 7.636,1027 4.414,1028 4.369,1029 4.997,1030 0.325,1031 8.063,1032 4.269,1033 7.61,1034 1,1035 9.367,1036 3.203,1037 6.279,1038 7.245,1039 2.076,1040 11.234,1041 6.145,1042 8.988,1043 0.953,1044 11.157,1045 2.513,1046 6.868,1047 7.984,1048 0.724,1049 13.185,1050 6.697,1051 10.399,1052 0.895,1053 12.987,1054 2.257,1055 8.302,1056 9.76,1057 2.327,1058 15.922,1059 8.1,1060 11.834,1061 0.434,1062 14.843,1063 2.136,1064 9.24,1065 10.861,1066 1.194,1067 18.213,1068 8.997,1069 13.287,1070 0.044,1071 16.718,1072 1.159,1073 10.514,1074 12.453,1075 2.65,1076 20.813,1077 10.239,1078 3.481,1079 -0.097,1080 18.609,1081 0.111,1082 11.609,1083 13.734,1084 1.714,1085 23.252,1086 11.293,1087 2.998,1088 12.978,1089 20.513,1090 -0.261,1091 12.834,1092 15.251,1093 3.019,1094 25.811,1095 12.484,1096 2.804,1097 10.484,1098 22.426,1099 4.418,1100 14,1101 16.623,1102 2.26,1103 28.315,1104 13.61,1105 2.529,1106 9.522,1107 24.348,1108 3.9,1109 15.217,1110 18.11,1111 3.42,1112 30.866,1113 14.792,1114 2.386,1115 8.29,1116 26.278,1117 3.444,1118 16.416,1119 19.53,1120 2.813,1121 33.399,1122 15.953,1123 2.142,1124 6.946,1125 28.213,1126 3.122,1127 17.637,1128 21.006,1129 3.844,1130 35.951,1131 17.138,1132 1.806,1133 6.533,1134 30.154,1135 3.016,1136 18.853,1137 22.452,1138 3.366,1139 38.498,1140 18.318,1141 8669,1142 15575,1143 21.501,1144 30.779,1145 49.898,1146 53.699,1147 51.953,1148 49.127,1149 49.071,1150 61.753,1151 6.457,1152 151.989,1153 47.299,1154 5.767,1155 6.264,1156 7.079,1157 5.532,1158 5.481,1159 7.418,1160 2.474,1161 20.978,1162 5.359,1163 12.926,1164 1.559,1165 1.678,1166 1.624,1167 1.535,1168 1.533,1169 1.93,1170 0.202,1171 4.75,1172 1.478,1173 4.087,1174 4.112,1175 4.151,1176 3.991,1177 8.21,1178 3.999,1179 3.906,1180 3.942,1181 3.876,1182 3.843,1183 8.191,1184 3.835,1185 3.801,1186 3.844,1187 3.797,1188 3.698,1189 7.444,1190 3.691,1191 3.68,1192 3.695,1193 3.686,1194 3.582,1195 7.412,1196 3.569,1197 3.291,1198 3.357,1199 3.282,1200 3.111,1201 4.763,1202 3.112,1203 3.055,1204 3.075,1205 3.044,1206 2.868,1207 4.561,1208 2.878,1209 2.981,1210 3.024,1211 2.967,1212 2.76,1213 4.29,1214 2.797,1215 2.854,1216 2.925,1217 2.855,1218 2.735,1219 4.129,1220 2.715,1221 0.149,1222 0.133,1223 0.227,1224 0.139,1225 0.109,1226 4.777,1227 0.138,1228 4.264,1229 0.04,1230 7.277,1231 0.406,1232 4.443,1233 0.105,1234 3.481,1235 4.418,1236 1.283,1237 12.978,1238 3.359,1239 1.958,1240 1.941,1241 2.048,1242 2.069,1243 1.199,1244 2.053,1245 1.894,1246 1.868,1247 1.958,1248 1.979,1249 1.13,1250 1.985,1251 1.507,1252 1.493,1253 1.585,1254 1.679,1255 0.825,1256 1.648,1257 1.225,1258 1.169,1259 1.513,1260 1.479,1261 0.817,1262 1.455,1263 1.202,1264 1.149,1265 1.442,1266 1.412,1267 0.675,1268 1.429,1269 1.153,1270 1.064,1271 1.372,1272 1.376,1273 0.555,1274 1.423,1275 0.976,1276 0.944,1277 1.181,1278 1.225,1279 0.218,1280 1.214,1281 0.886,1282 0.821,1283 1.051,1284 1.062,1285 0.128,1286 1.107,1287 4.174,1288 1.946,1289 5.549,1290 3.932,1291 7.133,1292 5.861,1293 8.821,1294 7.769,1295 10.57,1299 30.154,1303 1.888,1305 5.362,1307 1.012,1308 -0.001,1309 1.678,1314 30.135,1315 79.533,1316 170.658,1317 197.065,1318 210.574,1319 213.329,1320 213.329,1321 70.58,1322 7.949,1323 66.89,1324 95.13,1325 26,1326 13.061,1327 4,1328 3.322,1329 37.484,1330 96,1331 114,1332 0.194,1333 181.206,1334 328.43,1335 433.904,1336 29341,1337 4.7,1338 19.413,1339 0.693,1340 0.55,1341 18.027,1342 15.407,1343 13.559,1344 0.424,1345 0.304,1346 8.844,1347 12.575,1348 8.668,1349 7.067,1350 13.174,1351 9.728,1352 12.628,1353 0.263,1354 0.161,1355 12.182,1356 7.721,1357 10.99,1358 0.162,1359 0.083,1360 10.777,1361 5.622,1362 9.846,1363 0.1,1364 0.045,1365 9.854,1366 4.39,1367 8.045,1368 0.061,1369 0.023,1370 8.155,1371 3.098,1372 0.295,1373 90.188,1374 0.216,1375 26.1,1376 0.566,1377 160,1378 588.865,1379 201.341,1380 536.189,1381 716.5,1382 498,1383 199,1384 503.596,1385 242.3,1386 511.706,1387 766.98,1388 483,1389 5.9}
{0 CHEMBL1991674,1 1.674,2 9.958,3 2.716,4 7.379,5 92.956,6 8.187,7 0.593,8 3.866,9 3.988,10 3.512,11 3.411,12 4.951,13 3.399,14 4.411,15 4.575,16 3.916,17 3.829,18 5.492,19 3.788,20 4.714,21 4.947,22 3.899,23 3.926,24 5.679,25 3.845,26 4.676,27 4.933,28 3.857,29 3.827,30 5.66,31 3.736,32 4.512,33 4.76,34 3.769,35 3.743,36 5.51,37 3.651,38 4.391,39 4.592,40 3.858,41 3.72,42 5.46,43 3.64,44 4.371,45 4.574,46 3.718,47 3.666,48 5.473,49 3.555,50 4.246,51 4.452,52 3.43,53 3.525,54 5.247,55 3.404,56 0.068,57 0.664,58 7.815,59 3.484,60 9.873,61 4.515,62 0.218,63 1.075,64 15.631,65 6.227,66 23.743,67 8.343,68 0.347,69 1.276,70 26.349,71 8.397,72 40.603,73 11.659,74 0.493,75 1.188,76 27.013,77 7.92,78 47.617,79 11.295,80 0.369,81 1.028,82 23.049,83 6.963,84 37.513,85 9.842,86 0.287,87 0.912,88 21.163,89 6.179,90 27.055,91 8.262,92 0.385,93 0.83,94 24.886,95 6.379,96 38.574,97 8.368,98 0.254,99 0.737,100 20.613,101 5.8,102 28.073,103 7.548,104 5,105 38,106 0.292,107 0.674,108 0.805,109 0.858,110 0.858,111 0.858,112 3.229,113 0.943,114 -4.29,115 -4.23,116 -4,119 40.5,121 4,127 2,142 3,143 2,145 1,147 2,149 1,151 1,161 1,172 5,174 1,175 7,178 2,180 7,183 5,188 4,193 5,196 3,200 5,203 3,205 3,208 4,212 2,213 4,217 1,218 1,221 4,225 2,229 1,230 3,233 6,238 4,241 2,243 2,246 8,255 2,258 4,264 2,267 1,269 4,272 4,276 776,277 16.394,278 16.394,279 16.394,280 16.394,281 16.394,282 14.552,283 13.245,284 9.693,285 16.88,286 13.375,287 13.375,288 13.375,289 13.375,290 13.375,291 10.595,292 20.57,293 4.67,294 14.245,295 3.718,296 1.532,297 0.78,298 0.476,299 0.476,300 0.476,301 3.929,303 1,304 1,305 1,306 1,307 530,308 2.236,311 47.456,312 207.371,315 90.419,319 1.465,320 23.067,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 51.833,332 239,333 4.6,334 3.205,335 6.714,336 4.136,337 3.167,338 4.535,339 0.4,340 10.928,341 3.073,342 4.151,343 2.977,344 5.871,345 3.713,346 2.776,347 3.816,349 8.377,350 2.608,351 3.666,352 2.783,353 5.548,354 3.519,355 2.57,356 2.959,358 7.433,359 2.419,360 3.514,361 2.502,362 5.235,363 3.166,364 2.22,365 2.68,367 6.515,368 2.095,369 3.294,370 2.319,371 4.919,372 2.976,373 2.075,374 2.449,376 5.747,377 1.87,378 3.046,379 1.988,380 4.664,381 2.672,382 1.786,383 2.319,385 5.04,386 1.502,387 2.978,388 1.547,389 4.501,390 2.513,391 1.547,392 2.128,394 4.23,395 1.486,396 2.895,397 1.457,398 4.004,399 2.372,400 1.434,401 1.969,403 3.443,404 1.327,405 2.524,406 1.037,407 3.564,408 2,409 1.028,410 1.535,412 2.559,413 1,414 2,415 1,416 3.414,417 1.986,418 1,419 1,421 2.275,422 0.98,423 1.973,424 0.509,425 3.094,426 1.427,427 0.489,428 0.721,430 1.179,431 0.457,432 1.305,433 0.456,434 2.97,435 1.123,436 0.195,437 0.208,439 0.483,440 0.18,441 0.954,442 0.209,443 2.556,444 0.525,445 -0.365,446 -0.433,448 -0.933,449 -0.243,450 0.843,451 -0.152,452 2.285,453 0.42,454 -0.439,455 -0.531,457 -1.135,458 -0.382,459 0.672,460 -0.606,461 2,462 0.189,463 -0.689,464 -0.873,466 -1.751,467 -0.605,468 11.548,469 0.481,470 0.571,471 0.024,472 31,473 1.292,474 14.5,475 0.604,476 16.5,477 0.688,478 19.803,479 0.825,480 25.652,481 0.611,482 19.882,483 0.828,484 5.633,485 0.235,486 6.054,487 0.252,488 0.091,490 0.346,496 0.912,497 1.348,498 0.632,499 0.933,500 0.88,501 0.861,502 0.7,503 1.222,504 0.701,505 1.072,506 0.675,507 1.02,508 1.081,509 1.146,510 0.827,511 0.94,512 1.058,513 0.942,514 0.903,515 0.884,516 0.741,517 0.809,518 0.943,519 0.845,520 0.843,521 0.864,522 0.855,523 0.769,524 0.762,525 0.81,526 1.121,527 1.097,528 1.236,529 1.02,530 1.009,531 0.989,532 1.297,533 0.914,534 1.815,535 1.218,536 1.101,537 1.164,538 1.407,539 1.01,540 1.704,541 1.28,542 1.369,543 1.242,544 5,545 0.058,546 2.222,547 1.632,548 1.103,549 0.507,550 0.636,551 0.267,552 0.218,553 0.091,554 6632,555 18037,556 2.161,557 42.9,559 5,560 1,561 1,562 3,564 8,567 1.67,568 2.057,569 3.289,570 1.039,571 1,572 1,574 1,577 70.322,578 1.674,579 3.86,580 4.612,581 4.916,582 4.916,583 4.916,584 2.736,585 4.054,586 4.557,587 3.408,588 940.624,589 7.867,590 10888.1,591 1,592 1,594 1,595 226.477,596 1.281,597 4.532,598 0.185,599 0.005,600 0.058,601 0.045,602 0.034,603 0.017,604 0.021,605 0.011,606 0.011,607 0.006,608 0.394,609 0.33,610 1,611 0.49,612 113.484,613 -0.127,614 -0.141,615 0.011,616 0.025,617 -0.104,618 0.045,619 0.106,620 -0.09,621 0.02,622 -0.122,623 0.099,624 -0.093,625 -0.127,626 -0.163,627 0.017,628 0.006,629 -0.074,630 0.021,631 0.074,632 0.079,633 0.144,634 0.123,635 0.01,636 0.121,637 0.045,638 0.122,639 0.116,640 0.191,641 0.022,642 0.167,643 -0.079,644 -0.068,645 -0.005,646 -0.007,647 -0.107,648 -0.027,649 -0.111,650 0.069,651 -0.288,652 -0.152,653 -0.067,654 -0.181,655 -0.296,656 -0.05,657 -0.372,658 -0.224,659 -0.285,660 -0.248,661 1.508,662 3.623,663 0.875,664 18.833,665 1.008,666 1.132,667 3.065,668 9.393,669 0.683,670 3.332,671 3.664,672 3.932,673 4.234,674 4.454,675 4.511,676 4.635,677 4.779,678 4.804,679 4.875,680 5.772,681 0.651,682 343.85,683 3.332,684 4.875,685 5.727,686 6.611,687 7.479,688 8.368,689 9.245,690 10.137,691 11.018,692 11.911,693 11.9,698 1,701 1,703 3,708 2,709 5,710 3,711 1,714 4,716 16,728 1,734 1,735 42,737 16,739 27,741 45,742 17,743 11,748 4,749 5,750 1,757 6,760 6,762 11,763 6,779 1,780 1,783 18,784 5,785 3,786 7,787 1,792 5,797 0.75,798 1,800 1,809 1,810 1,811 1,815 1,816 3,819 1,841 1,843 3,848 1,851 24,857 1,858 4,860 1,863 2,873 1,874 2.4,875 1,881 11.667,882 7.276,883 5.167,884 2.62,886 3.213,887 1.435,888 0.979,889 4.293,890 10.598,891 3.584,892 4.201,893 4.811,894 5.457,895 5.989,896 6.343,897 6.791,898 7.249,899 7.454,900 7.826,901 0.857,902 36,903 8.863,905 3.849,906 7.699,907 17.08,909 14.507,911 2.199,912 52.778,915 1,916 176.567,917 71.863,918 85.153,919 39.149,920 42.683,923 71.863,924 258.399,925 85.153,927 10.138,928 80.16,929 81.854,930 33.919,931 56.319,932 153.024,934 176.567,935 157.016,936 42.683,937 39.149,939 84.726,940 94.169,941 42.683,943 37.686,944 48.634,945 68.367,946 39.149,947 176.567,948 127.836,949 111.012,952 176.567,953 25.34,954 46.524,955 34.796,956 132.189,957 176.567,958 127.836,959 111.012,961 0.583,962 0.334,963 0.187,964 0.105,965 20,966 8,967 0.067,968 3,969 1,970 1.095,971 3.681,972 200.694,973 0.095,974 21,975 106.039,981 15.67,982 6.575,983 3.356,984 1.762,985 111.051,986 9.198,987 13.27,988 3.129,991 2.559,993 77.48,994 415.415,995 35,1007 42.345,1008 47.551,1009 0.311,1010 0.716,1011 0.855,1012 0.912,1013 0.912,1014 0.912,1015 4.82,1016 1.434,1017 5.707,1018 4.23,1019 4.344,1020 4.887,1021 0.278,1022 6.506,1023 4.227,1024 6.019,1025 1.028,1026 7.251,1027 3.443,1028 3.892,1029 4.677,1031 7.345,1032 3.687,1033 7.32,1034 1,1035 8.89,1036 2.559,1037 5.922,1038 7.11,1039 0.05,1040 10.459,1041 5.714,1042 8.657,1043 0.489,1044 10.588,1045 2.275,1046 6.275,1047 7.778,1049 12.166,1050 6.009,1051 10.029,1052 0.195,1053 12.324,1054 1.179,1055 7.775,1056 9.678,1057 0.008,1058 14.796,1059 7.496,1060 11.426,1061 -0.365,1062 14.09,1063 0.483,1064 8.523,1065 10.782,1067 16.889,1068 8.205,1069 12.846,1070 -0.439,1071 15.878,1072 -0.933,1073 9.799,1074 12.453,1075 0.001,1076 19.354,1077 9.461,1078 3.167,1079 -0.689,1080 17.685,1081 -1.135,1082 10.745,1083 13.769,1085 21.617,1086 10.376,1087 2.776,1088 10.928,1089 19.507,1090 -1.751,1091 11.928,1092 15.34,1094 24.027,1095 11.536,1096 2.57,1097 8.377,1098 21.342,1099 4.535,1100 12.971,1101 16.756,1103 26.361,1104 12.553,1105 2.22,1106 7.433,1107 23.187,1108 3.816,1109 14.119,1110 18.285,1112 28.756,1113 13.676,1114 2.075,1115 6.515,1116 25.041,1117 2.959,1118 15.21,1119 19.748,1121 31.121,1122 14.743,1123 1.786,1124 5.747,1125 26.903,1126 2.68,1127 16.347,1128 21.262,1130 33.51,1131 15.855,1132 1.547,1133 5.04,1134 28.772,1135 2.449,1136 17.462,1137 22.747,1139 35.889,1140 16.946,1141 6220,1142 10403,1143 18.493,1144 28.671,1145 40.782,1146 40.878,1147 41.443,1148 40.805,1149 40.574,1150 52.639,1151 0.8,1152 116.418,1153 37.993,1154 5.6,1155 5.205,1156 6.396,1157 5.211,1158 5.167,1159 7.535,1160 0.8,1161 18.109,1162 5.073,1163 8.833,1164 1.51,1165 1.514,1166 1.535,1167 1.511,1168 1.503,1169 1.95,1170 0.03,1171 4.312,1172 1.407,1173 4.122,1174 4.163,1175 4.111,1176 4.006,1177 6.449,1178 4.022,1179 3.9,1180 3.955,1181 3.922,1182 3.764,1183 5.146,1184 3.763,1185 3.749,1186 3.795,1187 3.729,1188 3.607,1189 4.992,1190 3.619,1191 3.375,1192 3.437,1193 3.355,1194 3.239,1195 4.51,1196 3.24,1197 3.221,1198 3.287,1199 3.247,1200 2.994,1201 4.346,1202 3.004,1203 3.111,1204 3.206,1205 3.017,1206 2.941,1207 4.196,1208 2.91,1209 2.903,1210 2.968,1211 2.866,1212 2.706,1213 3.913,1214 2.731,1215 2.764,1216 2.83,1217 2.786,1218 2.531,1219 3.782,1220 2.543,1221 0.17,1222 0.119,1223 0.249,1224 0.153,1225 0.117,1226 4.6,1227 0.168,1228 3.205,1229 0.015,1230 6.714,1231 0.405,1232 4.136,1233 0.114,1234 3.167,1235 4.535,1236 0.4,1237 10.928,1238 3.073,1239 1.904,1240 1.871,1241 2.075,1242 2.052,1243 1.457,1244 2.058,1245 1.86,1246 1.813,1247 1.961,1248 1.998,1249 1.064,1250 1.991,1251 1.713,1252 1.668,1253 1.78,1254 1.898,1255 0.833,1256 1.876,1257 1.42,1258 1.364,1259 1.565,1260 1.633,1261 0.825,1262 1.622,1263 1.159,1264 1.094,1265 1.513,1266 1.426,1267 0.709,1268 1.429,1269 1.153,1270 1.064,1271 1.413,1272 1.376,1273 0.573,1274 1.424,1275 1.023,1276 0.973,1277 1.197,1278 1.17,1279 0.303,1280 1.185,1281 0.628,1282 0.56,1283 0.894,1284 0.97,1286 0.955,1287 4.007,1289 5.333,1290 2.398,1291 6.849,1292 4.727,1293 8.453,1294 6.843,1295 10.101,1298 6.202,1302 9.623,1303 3.485,1305 3.42,1308 0.128,1314 27.337,1315 70.322,1316 162.139,1317 193.722,1318 206.477,1319 206.477,1320 206.477,1321 34.898,1322 7.385,1323 86.72,1324 86.72,1325 23,1326 12.44,1327 4.087,1328 3.17,1329 33.843,1330 83,1331 90,1332 0.201,1333 170.075,1334 281.04,1335 406.744,1336 16016,1337 2.4,1338 16.518,1339 0.688,1340 0.575,1341 17.018,1342 13.793,1343 11.687,1344 0.433,1345 0.314,1346 8.035,1347 11,1348 7.893,1349 6.48,1350 11.975,1351 8.483,1352 10.75,1353 0.283,1354 0.172,1355 11.158,1356 6.538,1357 8.873,1358 0.177,1359 0.093,1360 9.109,1361 4.629,1362 7.745,1363 0.114,1364 0.049,1365 8.063,1366 3.366,1367 6.308,1368 0.074,1369 0.028,1370 6.54,1371 2.341,1372 0.312,1373 76.006,1374 0.233,1375 23.316,1376 0.56,1377 130,1378 357.954,1379 158.042,1380 380.195,1381 517.98,1382 356,1383 153,1384 367.178,1385 174.411,1386 380.278,1387 560.5,1388 360,1389 7.3}
{0 CHEMBL1991678,1 1.695,2 10.774,3 3.786,4 14.337,5 113.52,6 8.009,7 0.647,8 4.086,9 4.208,10 3.703,11 3.59,12 5.29,13 3.598,14 4.604,15 4.783,16 4.103,17 3.979,18 5.795,19 3.979,20 4.847,21 5.036,22 4.198,23 4.126,24 6.061,25 4.106,26 5.037,27 5.296,28 4.173,29 4.122,30 6.274,31 4.087,32 4.829,33 5.046,34 4.162,35 4.108,36 5.949,37 4.078,38 4.842,39 5.039,40 4.243,41 4.135,42 6.155,43 4.125,44 4.892,45 5.089,46 4.156,47 4.139,48 6.155,49 4.098,50 4.909,51 5.158,52 3.918,53 3.983,54 6.107,55 3.897,56 0.118,57 0.969,58 9.554,59 4.477,60 14.599,61 5.531,62 0.358,63 1.529,64 18.974,65 7.398,66 39.699,67 9.504,68 0.467,69 1.888,70 24.79,71 9.345,72 54.12,73 11.84,74 1.144,75 2.019,76 37.38,77 10.011,78 144.74,79 14.135,80 0.507,81 1.764,82 25.997,83 9.087,84 48.324,85 12.527,86 0.675,87 1.902,88 24.929,89 8.204,90 64.476,91 11.026,92 0.55,93 2.008,94 26.481,95 9.917,96 53.977,97 12.675,98 0.78,99 1.785,100 31.213,101 10.296,102 90.243,103 13.884,104 41,105 50,106 0.279,107 0.653,108 0.825,109 0.863,110 0.863,111 0.863,112 3.473,113 0.861,114 -4.29,115 -4.22,116 -3.99,119 41.5,120 3,123 1,125 2,142 4,143 1,144 2,145 2,146 3,150 1,151 1,152 1,161 1,172 4,174 2,175 4,178 2,180 2,183 4,187 3,188 5,193 4,196 1,199 1,200 7,204 1,205 1,208 1,212 1,213 8,216 1,221 2,224 2,225 6,228 3,230 1,233 5,238 4,243 1,246 4,249 1,250 6,253 1,255 4,258 1,264 2,267 1,272 3,276 1750,277 20.524,278 20.524,279 20.524,280 20.524,281 20.524,282 17.895,283 14.665,284 11.672,285 21.046,286 16.67,287 16.67,288 16.67,289 16.67,290 16.67,291 12.72,292 17.662,293 5.445,294 17.607,295 4.033,296 1.769,297 0.722,298 0.496,299 0.496,300 0.496,301 4.163,305 1,306 1,307 711,308 3.742,311 62.991,312 256.752,315 123.254,319 1.538,320 43.891,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 69,332 334,333 4.774,334 3.411,335 7.084,336 4.316,337 3.365,338 4.727,339 0.4,340 12.286,341 3.201,342 4.26,343 3.228,344 6.69,345 4.169,346 3.179,347 3.942,349 10.767,350 3.149,351 4.192,352 3.132,353 6.36,354 3.816,355 2.86,356 3.725,358 9.573,359 2.724,360 4.082,361 2.785,362 6.048,363 3.638,364 2.695,365 3.234,367 8.6,368 2.543,369 3.742,370 2.702,371 5.425,372 3.301,373 2.369,374 3.148,376 7.04,377 2.196,378 3.495,379 2.482,380 5.178,381 3.074,382 2.142,383 2.842,385 6.232,386 1.982,387 3.183,388 2.047,389 4.939,390 2.735,391 1.796,392 2.435,394 5.313,395 1.681,396 3.115,397 1.892,398 4.748,399 2.615,400 1.695,401 2.378,403 4.817,404 1.544,405 2.889,406 1.491,407 4.169,408 2.375,409 1.435,410 2.056,412 3.57,413 1.341,414 2.709,415 1.335,416 4.039,417 2.21,418 1.26,419 1.802,421 3.162,422 1.193,423 2.585,424 1.165,425 3.64,426 2.055,427 1.1,428 1.626,430 2.649,431 1.045,432 2.185,433 1.132,434 3.54,435 1.679,436 0.752,437 1.051,439 1.975,440 0.695,441 1.825,442 0.825,443 3.453,444 1.625,445 0.705,446 0.775,448 1.607,449 0.646,450 1.37,451 0.759,452 2.889,453 1.214,454 0.34,455 0.348,457 0.477,458 0.294,459 1.361,460 0.41,461 2.847,462 0.972,463 0.05,464 0.063,466 0.124,467 0.045,468 14.305,469 0.461,470 0.971,471 0.031,472 41.5,473 1.339,474 20.5,475 0.661,476 21,477 0.677,478 27.463,479 0.886,480 33.695,481 0.636,482 34.108,483 1.1,484 8.122,485 0.262,486 6.665,487 0.215,488 0.168,489 0.035,490 0.343,494 2,496 0.708,497 1.207,498 0.709,499 1.103,500 0.648,501 0.95,502 0.717,503 0.988,504 0.677,505 0.891,506 0.625,507 0.799,508 0.939,509 1.223,510 0.981,511 1.205,512 0.88,513 1.124,514 0.988,515 0.705,516 0.881,517 0.602,518 0.851,519 0.675,520 0.664,521 0.939,522 0.75,523 0.908,524 0.605,525 0.859,526 0.769,527 0.902,528 0.912,529 0.887,530 0.633,531 0.908,532 0.949,533 1.238,534 1.085,535 1.28,536 0.942,537 1.232,538 0.939,539 1.047,540 1.098,541 1.18,542 1.006,543 1.192,544 7.5,545 0.297,546 4,547 2.542,548 2.189,549 1.393,550 0.874,551 0.758,552 0.508,553 0.36,554 11387,555 35139,556 2.038,557 41.5,558 6,559 8,560 1,561 2,562 2,563 3,567 1.744,568 1.869,569 3.323,570 0.257,572 1,577 89.855,578 1.695,579 3.959,580 5.006,581 5.232,582 5.232,583 5.232,584 2.845,585 4.761,586 4.922,587 3.524,588 1638.61,589 8.642,590 22563.4,592 1,594 1,595 303.58,596 1.663,597 4.859,598 0.221,599 0.012,600 0.08,601 0.049,602 0.044,603 0.027,604 0.016,605 0.016,606 0.015,607 0.012,608 0.491,609 0.17,610 1,611 1.258,612 158.225,613 -0.071,614 -0.187,615 0.03,616 -0.059,617 -0.081,618 -0.003,619 0.013,620 -0.023,621 0.166,622 0.1,623 0.026,624 0.153,625 -0.072,626 -0.187,627 -0.099,628 -0.216,629 -0.052,630 -0.178,631 0.004,632 0.156,633 0.148,634 0.309,635 0.065,636 0.282,637 0.03,638 -0.037,639 0.147,640 0.068,642 0.122,643 0.043,644 0.098,645 -0.036,646 0.042,647 0.062,648 -0.003,649 -0.04,650 -0.169,651 -0.183,652 -0.277,653 -0.041,654 -0.272,655 0.049,656 -0.06,657 -0.091,658 -0.197,659 -0.004,660 -0.194,661 2.382,662 6.657,663 0.677,664 30.108,665 1.017,666 1.144,667 3.057,668 9.346,669 0.664,670 3.555,671 3.932,672 4.205,673 4.5,674 4.796,675 4.977,676 5.147,677 5.328,678 5.425,679 5.464,680 6.378,681 0.648,682 424.5,683 3.555,684 5.13,685 5.994,686 6.903,687 7.793,688 8.71,689 9.614,690 10.537,691 11.449,692 12.375,693 11.3,698 1,701 1,703 4,708 1,709 7,710 4,714 8,716 22,728 1,734 2,735 53,737 22,738 1,739 34,741 56,742 22,743 16,744 3,745 3,748 4,749 5,754 4,755 1,762 16,763 6,780 1,781 2,783 22,784 8,785 2,786 9,789 1,792 6,797 0.75,798 1,799 1,806 1,810 1,815 1,816 3,819 1,841 1,843 3,847 3,849 2,851 31,857 1,858 2,860 1,865 1,873 2,874 1.9,875 1,881 16.583,882 10.569,883 6.694,884 3.021,886 4.323,887 1.544,888 0.962,889 5.593,890 12.263,891 3.829,892 4.503,893 5.138,894 5.807,895 6.434,896 6.894,897 7.403,898 7.925,899 8.314,900 8.672,901 1,902 52,903 11.516,905 5.037,906 8.008,907 21.334,909 17.494,911 2.508,912 77.75,915 1,916 235.422,917 129.698,918 86.439,920 42.683,921 29.92,923 129.698,924 278.105,925 116.36,926 26.476,927 2.106,928 89.636,929 110.41,930 49.079,931 46.347,932 200.109,934 235.422,935 216.137,936 72.604,939 265.342,941 42.683,943 59.847,944 71.137,945 85.153,947 265.342,948 129.123,949 129.698,952 235.422,953 38.175,954 92.809,955 18.011,956 139.746,957 235.422,958 159.043,959 129.698,961 0.595,962 0.344,963 0.177,964 0.104,965 25,966 12,967 0.107,968 6,969 1,970 1.095,971 3.998,972 294.713,973 0.095,974 21,975 151.58,981 21.14,982 8.201,983 4.214,984 0.547,985 157.756,986 10.033,987 17.695,991 1.189,993 60.694,994 524.163,995 45,1007 53.916,1008 60.615,1009 0.296,1010 0.691,1011 0.874,1012 0.913,1013 0.913,1014 0.913,1015 5.091,1016 1.695,1017 6.033,1018 5.313,1019 4.615,1020 5.19,1021 0.278,1022 6.915,1023 4.509,1024 6.346,1025 1.435,1026 7.643,1027 4.817,1028 4.443,1029 5.156,1031 8.107,1032 4.312,1033 7.692,1034 1.26,1035 9.358,1036 3.57,1037 6.323,1038 7.488,1039 0.05,1040 11.149,1041 6.138,1042 9.075,1043 1.1,1044 11.134,1045 3.162,1046 6.929,1047 8.249,1049 13.12,1050 6.726,1051 10.487,1052 0.752,1053 12.947,1054 2.649,1055 8.343,1056 10.099,1057 0.008,1058 15.757,1059 8.095,1060 11.921,1061 0.705,1062 14.787,1063 1.975,1064 9.275,1065 11.25,1067 18.026,1068 9.006,1069 13.372,1070 0.34,1071 16.646,1072 1.607,1073 10.528,1074 12.905,1075 0.001,1076 20.545,1077 10.221,1078 3.365,1079 0.05,1080 18.519,1081 0.477,1082 11.601,1083 14.254,1085 22.935,1086 11.267,1087 3.179,1088 12.286,1089 20.403,1090 0.124,1091 12.801,1092 15.831,1094 25.421,1095 12.431,1096 2.86,1097 10.767,1098 22.296,1099 4.727,1100 13.935,1101 17.28,1103 27.864,1104 13.534,1105 2.695,1106 9.573,1107 24.195,1108 3.942,1109 15.119,1110 18.829,1112 30.346,1113 14.682,1114 2.369,1115 8.6,1116 26.101,1117 3.725,1118 16.281,1119 20.327,1121 32.814,1122 15.81,1123 2.142,1124 7.04,1125 28.012,1126 3.234,1127 17.464,1128 21.869,1130 35.299,1131 16.957,1132 1.796,1133 6.232,1134 29.928,1135 3.148,1136 18.641,1137 23.391,1139 37.78,1140 18.097,1141 11136,1142 19756,1143 22.076,1144 35.216,1145 51.831,1146 53.017,1147 54.154,1148 51.437,1149 51.489,1150 68.305,1151 0.8,1152 156.385,1153 48.56,1154 5.638,1155 5.411,1156 6.634,1157 5.39,1158 5.365,1159 7.727,1160 0.8,1161 19.882,1162 5.201,1163 18.136,1164 1.524,1165 1.559,1166 1.593,1167 1.513,1168 1.514,1169 2.009,1170 0.024,1171 4.6,1172 1.428,1173 4.161,1174 4.207,1175 4.145,1176 4.015,1177 8.211,1178 4.041,1179 3.866,1180 3.903,1181 3.833,1182 3.763,1183 8.191,1184 3.775,1185 3.841,1186 3.894,1187 3.776,1188 3.679,1189 6.456,1190 3.687,1191 3.716,1192 3.769,1193 3.611,1194 3.574,1195 5.121,1196 3.582,1197 3.327,1198 3.394,1199 3.263,1200 3.155,1201 4.941,1202 3.172,1203 3.158,1204 3.235,1205 3.01,1206 3.004,1207 4.558,1208 2.993,1209 3.116,1210 3.206,1211 2.955,1212 2.865,1213 4.333,1214 2.876,1215 2.981,1216 3.063,1217 2.866,1218 2.733,1219 4.259,1220 2.735,1221 0.14,1222 0.1,1223 0.208,1224 0.127,1225 0.099,1226 4.774,1227 0.139,1228 3.411,1229 0.012,1230 7.084,1231 0.361,1232 4.316,1233 0.094,1234 3.365,1235 4.727,1236 0.4,1237 12.286,1238 3.201,1239 1.923,1240 1.896,1241 2.008,1242 2.085,1243 1.286,1244 2.057,1245 1.865,1246 1.824,1247 1.978,1248 1.998,1249 1.113,1250 1.986,1251 1.79,1252 1.736,1253 1.945,1254 1.968,1255 1.026,1256 1.971,1257 1.693,1258 1.647,1259 1.807,1260 1.862,1261 0.829,1262 1.854,1263 1.32,1264 1.269,1265 1.548,1266 1.518,1267 0.608,1268 1.525,1269 1.117,1270 1.039,1271 1.417,1272 1.378,1273 0.535,1274 1.396,1275 1.061,1276 0.973,1277 1.409,1278 1.311,1279 0.469,1280 1.315,1281 0.934,1282 0.836,1283 1.332,1284 1.296,1285 0.425,1286 1.308,1287 4.234,1289 5.595,1290 2.398,1291 7.146,1292 4.844,1293 8.782,1294 7.081,1295 10.464,1297 5.639,1299 28.154,1302 9.469,1303 0.468,1305 3.128,1310 -0.353,1314 34.351,1315 89.855,1316 209.823,1317 265.315,1318 277.315,1319 277.315,1320 277.315,1321 71.997,1322 7.94,1323 88.23,1324 88.23,1325 23,1326 12.882,1327 4.524,1328 3.585,1329 49.046,1330 112,1331 140,1332 0.207,1333 210.113,1334 356.65,1335 504.435,1336 30223,1337 3.8,1338 22.173,1339 0.715,1340 0.561,1341 20.433,1342 17.395,1343 14.787,1344 0.435,1345 0.287,1346 9.584,1347 14.065,1348 9.271,1349 7.73,1350 13.982,1351 9.762,1352 14.121,1353 0.282,1354 0.162,1355 12.96,1356 8.081,1357 11.613,1358 0.176,1359 0.075,1360 10.82,1361 4.956,1362 9.4,1363 0.106,1364 0.036,1365 8.684,1366 3.167,1367 7.872,1368 0.066,1369 0.018,1370 7.502,1371 2.194,1372 0.317,1373 93.876,1374 0.213,1375 28.518,1376 0.597,1377 168,1378 602.93,1379 189.34,1380 533.844,1381 719.11,1382 498,1383 200,1384 526.309,1385 222.024,1386 522.822,1387 770.46,1388 490,1389 5.1}
{0 CHEMBL1991725,1 1.478,2 13.472,3 3.578,4 12.802,5 140.891,6 7.379,7 0.675,8 4.268,9 4.389,10 3.835,11 3.828,12 5.367,13 3.807,14 4.789,15 4.964,16 4.166,17 4.22,18 5.823,19 4.179,20 5.024,21 5.211,22 4.203,23 4.372,24 6.034,25 4.285,26 5.15,27 5.396,28 4.145,29 4.344,30 6.071,31 4.236,32 5.086,33 5.311,34 4.108,35 4.259,36 6.12,37 4.175,38 5.055,39 5.286,40 4.143,41 4.267,42 6.003,43 4.186,44 5.078,45 5.295,46 4.192,47 4.301,48 6.105,49 4.222,50 5.143,51 5.386,52 4.165,53 4.292,54 6.153,55 4.209,56 0.034,57 0.953,58 13.145,59 5.715,60 11.122,61 7.563,62 0.261,63 1.532,64 24.601,65 9.222,66 27.135,67 12.477,68 0.425,69 1.832,70 32.064,71 12.728,72 44.402,73 17.103,74 0.294,75 1.964,76 39.272,77 14.683,78 49.388,79 20.53,80 0.581,81 1.856,82 37.029,83 12.41,84 80.18,85 16.78,86 0.462,87 1.816,88 35.515,89 12.529,90 44.088,91 17.286,92 0.3,93 1.852,94 35.499,95 13.204,96 51.303,97 18.033,98 0.576,99 1.929,100 40.195,101 13.646,102 73.112,103 18.625,104 14,105 55,106 0.232,107 0.58,108 0.784,109 0.877,110 0.887,111 0.887,112 3.616,113 0.897,114 -2.86,115 -2.87,116 -2.78,119 44.6,121 1,124 2,125 2,127 1,142 9,143 6,144 1,145 4,151 1,152 1,158 1,172 15,175 4,178 1,180 4,183 17,187 2,188 6,191 2,193 4,196 14,200 7,205 2,208 8,212 1,213 8,217 1,218 2,221 4,224 1,225 9,228 2,230 3,233 2,238 9,241 1,243 2,246 3,249 2,250 7,253 1,255 3,258 5,263 2,264 6,267 1,269 3,272 8,276 2632,277 24.601,278 24.601,279 24.601,280 24.601,281 24.601,282 21.362,283 15.288,284 14.736,285 25.034,286 19.823,287 19.823,288 19.823,289 19.823,290 19.823,291 14.973,292 16.618,293 7.061,294 20.487,295 4.544,296 2.318,297 1.016,298 0.423,299 0.362,300 0.362,301 4.325,306 1,307 1066,308 4.243,311 88.929,312 442.889,315 165.817,316 175.674,319 1.92,320 25.439,323 1,324 0.83,325 0.83,326 0.8,327 0.5,328 1,329 1,330 0.85,331 76.5,332 485,333 4.527,334 3.62,335 6.535,336 4.062,337 3.076,338 4.474,339 1.959,340 10.31,341 3.033,342 4.451,343 3.16,344 6.296,345 4.001,346 3.006,347 4.363,348 0.86,349 9.605,350 2.992,351 4.144,352 3.043,353 6.013,354 3.708,355 2.731,356 3.789,357 0.815,358 8.647,359 2.676,360 3.801,361 2.883,362 5.561,363 3.595,364 2.623,365 3.072,366 0.163,367 7.593,368 2.54,369 3.657,370 2.613,371 5.294,372 3.304,373 2.353,374 2.947,376 6.783,377 2.236,378 3.473,379 2.473,380 5.155,381 3.191,382 2.231,383 2.769,385 6.283,386 2.137,387 3.171,388 2.405,389 4.886,390 2.878,391 1.91,392 2.427,394 5.459,395 1.841,396 3.118,397 2,398 4.466,399 2.656,400 1.683,401 2.32,403 4.465,404 1.619,405 3.045,406 1.637,407 4.272,408 2.614,409 1.618,410 2.301,412 4.098,413 1.612,414 3.019,415 1.618,416 4.234,417 2.518,418 1.547,419 2.196,421 3.948,422 1.501,423 2.894,424 1.546,425 4.129,426 2.498,427 1.542,428 1.977,430 3.698,431 1.469,432 2.815,433 1.394,434 3.61,435 2.285,436 1.349,437 1.882,439 2.962,440 1.259,441 2.617,442 1.213,443 3.583,444 2.143,445 1.154,446 1.666,448 2.749,449 1.14,450 2.589,451 1.119,452 3.488,453 2.046,454 1.097,455 1.632,457 2.541,458 1.037,459 2.15,460 1.046,461 3.214,462 1.639,463 0.689,464 0.977,466 1.617,467 0.647,468 17.167,469 0.477,470 0.797,471 0.022,472 49.5,473 1.375,474 26,475 0.722,476 23.5,477 0.653,478 29.633,479 0.823,480 37.433,481 0.576,482 40.046,483 1.112,484 10.064,485 0.28,486 7.483,487 0.208,488 0.078,490 0.315,496 0.833,497 1.295,498 0.791,499 1.054,500 0.636,501 0.935,502 1.137,503 0.956,504 0.935,505 0.857,506 0.717,507 0.856,508 1.03,509 1.049,510 1.121,511 1.12,512 1.113,513 1.138,514 0.985,515 1.036,516 0.911,517 1.019,518 0.919,519 0.97,520 1.62,521 0.961,522 1.153,523 0.948,524 2.029,525 0.987,526 1.214,527 0.912,528 0.965,529 0.919,530 0.817,531 0.912,532 1.176,533 1.155,534 0.962,535 1.113,536 1.061,537 1.033,538 1.515,539 0.857,540 0.961,541 0.814,542 1.368,543 0.829,544 7,545 0.239,546 3.333,547 2.104,548 1.435,549 0.952,550 0.587,551 0.601,552 0.416,553 0.372,554 21255,555 51784,556 2.137,557 44.6,559 20,560 1,561 4,562 2,564 2,567 1.777,568 2.038,569 3.685,570 0.121,577 96.081,578 1.478,579 3.704,580 5.006,581 5.599,582 5.661,583 5.661,584 3.058,585 4.948,586 5.144,587 3.889,588 2449.84,589 9.056,590 40444.1,595 391.454,596 1.256,597 5.118,598 0.175,599 0.006,600 0.061,601 0.039,602 0.029,603 0.02,604 0.012,605 0.012,606 0.008,607 0.008,608 0.368,609 0.33,610 0.75,611 1.017,612 197.841,613 -0.027,614 -0.151,615 0.058,616 -0.043,617 -0.028,618 0.009,619 -0.096,620 0.153,621 -0.009,622 0.116,624 0.079,625 0.036,626 -0.026,627 -0.18,628 -0.12,629 -0.104,630 -0.172,631 -0.002,632 -0.096,633 0.087,634 -0.021,635 0.035,636 0.035,637 -0.117,638 0.032,639 -0.121,640 0.005,641 -0.202,642 -0.048,643 0.026,644 0.076,645 0.045,646 0.05,647 0.035,648 0.052,649 0.02,650 -0.184,651 0.031,652 -0.125,653 0.09,654 -0.058,655 -0.066,656 0.095,657 0.086,658 0.151,659 0.008,660 0.135,661 1.703,662 5.581,663 0.694,664 39.778,665 0.996,666 1.121,667 1.634,668 2.668,669 0.678,670 3.714,671 4.025,672 4.277,673 4.554,674 4.754,675 4.812,676 4.97,677 5.094,678 5.182,679 5.215,680 8.127,681 0.644,682 479.63,683 3.714,684 5.252,685 6.094,686 6.965,687 7.821,688 8.697,689 9.56,690 10.438,691 11.306,692 12.184,693 7.7,696 1,700 1,701 1,703 2,708 4,709 14,710 2,711 1,714 4,716 27,733 1,735 65,737 28,738 2,739 40,741 69,742 29,743 22,744 5,745 7,748 5,749 7,760 2,762 23,763 6,767 1,772 1,776 1,783 29,784 6,785 2,786 7,792 5,797 0.6,798 2,809 2,811 1,815 1,816 4,819 1,820 1,829 1,839 1,843 3,847 2,851 36,858 3,860 1,861 1,863 1,864 1,874 3.1,877 1,879 1,881 17.667,882 12.183,883 7.861,884 3.697,886 5.184,887 1.624,888 1.008,889 7.264,890 13.494,891 4.016,892 4.637,893 5.245,894 5.868,895 6.412,896 6.695,897 7.147,898 7.56,899 7.854,900 8.049,901 0.889,902 54,903 13.296,905 5.608,906 7.62,907 25.64,909 21.028,911 2.12,912 76.333,916 317.82,917 185.917,918 71.492,920 36.145,923 185.917,924 353.965,925 71.492,926 16.793,927 27.243,928 94.334,929 110.505,930 89.618,931 13.915,932 258.964,934 317.82,935 257.408,936 36.145,939 294.278,940 59.687,943 83.343,944 140.494,945 33.571,947 317.82,948 107.636,949 185.917,952 317.82,953 38.6,954 150.44,955 34.796,956 69.716,957 317.82,958 107.636,959 185.917,961 0.576,962 0.325,963 0.183,964 0.095,965 26,966 11,967 0.13,968 9,969 2,970 1.16,971 4.745,972 341.86,973 0.16,974 25,975 184.117,981 23.989,982 10.902,983 5.928,984 4.445,985 90.851,986 27.598,987 8.582,988 3.315,991 3.826,993 34.796,994 611.373,995 54.5,1000 12.581,1004 -0.036,1007 64.767,1008 72.893,1009 0.245,1010 0.615,1011 0.831,1012 0.93,1013 0.94,1014 0.94,1015 5.235,1016 1.683,1017 6.061,1018 5.459,1019 4.71,1020 5.325,1021 2.306,1022 6.838,1023 4.652,1024 6.438,1025 1.618,1026 7.592,1027 4.465,1028 4.205,1029 5.075,1030 1.668,1031 7.644,1032 4.15,1033 7.735,1034 1.547,1035 9.22,1036 4.098,1037 6.267,1038 7.563,1039 3.108,1040 10.735,1041 6.171,1042 9.068,1043 1.542,1044 10.907,1045 3.948,1046 6.581,1047 8.189,1048 3.135,1049 12.393,1050 6.494,1051 10.435,1052 1.349,1053 12.633,1054 3.698,1055 8.095,1056 10.124,1057 4.234,1058 14.973,1059 7.975,1060 11.827,1061 1.154,1062 14.386,1063 2.962,1064 8.807,1065 11.189,1066 4.573,1067 16.993,1068 8.696,1069 13.239,1070 1.097,1071 16.16,1072 2.749,1073 10.082,1074 12.876,1075 5.484,1076 19.392,1077 9.947,1078 3.076,1079 0.689,1080 17.949,1081 2.541,1082 10.992,1083 14.159,1084 5.975,1085 21.57,1086 10.861,1087 3.006,1088 10.31,1089 19.75,1090 1.617,1091 12.162,1092 15.731,1093 6.782,1094 23.905,1095 12.015,1096 2.731,1097 9.605,1098 21.561,1099 4.474,1100 13.17,1101 17.119,1102 7.353,1103 26.153,1104 13.022,1105 2.623,1106 8.647,1107 23.38,1108 4.363,1109 14.296,1110 18.641,1111 8.101,1112 28.466,1113 14.135,1114 2.353,1115 7.593,1116 25.205,1117 3.789,1118 15.351,1119 20.08,1120 8.717,1121 30.747,1122 15.187,1123 2.231,1124 6.783,1125 27.035,1126 3.072,1127 16.46,1128 21.58,1129 9.432,1130 33.055,1131 16.286,1132 1.91,1133 6.283,1134 28.87,1135 2.947,1136 17.54,1137 23.042,1138 10.073,1139 35.352,1140 17.359,1141 19726,1142 30936,1143 27.334,1144 44.074,1145 60.225,1146 60.834,1147 60.434,1148 59.492,1149 59.563,1150 80.653,1151 7.594,1152 167.058,1153 57.689,1154 5.459,1155 5.62,1156 6.222,1157 5.136,1158 5.076,1159 7.474,1160 3.43,1161 17.052,1162 5.033,1163 14.408,1164 1.506,1165 1.521,1166 1.511,1167 1.487,1168 1.489,1169 2.016,1170 0.19,1171 4.176,1172 1.442,1173 4.138,1174 4.172,1175 4.092,1176 4.062,1177 7.429,1178 4.065,1179 4.082,1180 4.107,1181 4.042,1182 4.023,1183 5.028,1184 4.025,1185 3.845,1186 3.878,1187 3.795,1188 3.725,1189 4.963,1190 3.737,1191 3.743,1192 3.803,1193 3.653,1194 3.545,1195 4.908,1196 3.559,1197 3.572,1198 3.644,1199 3.438,1200 3.393,1201 4.471,1202 3.397,1203 3.395,1204 3.449,1205 3.311,1206 3.264,1207 4.376,1208 3.269,1209 3.362,1210 3.423,1211 3.251,1212 3.195,1213 4.302,1214 3.199,1215 3.199,1216 3.255,1217 3.062,1218 2.961,1219 4.292,1220 2.966,1221 0.113,1222 0.09,1223 0.163,1224 0.102,1225 0.077,1226 4.527,1227 0.112,1228 3.62,1229 0.049,1230 6.535,1231 0.258,1232 4.062,1233 0.076,1234 3.076,1235 4.474,1236 1.959,1237 10.31,1238 3.033,1239 2.066,1240 2.046,1241 2.139,1242 2.135,1243 1.281,1244 2.138,1245 1.942,1246 1.919,1247 2.042,1248 2.024,1249 1.266,1250 2.031,1251 1.797,1252 1.768,1253 1.917,1254 1.96,1255 1.089,1256 1.948,1257 1.707,1258 1.654,1259 1.864,1260 1.902,1261 0.983,1262 1.893,1263 1.586,1264 1.515,1265 1.821,1266 1.815,1267 0.932,1268 1.823,1269 1.392,1270 1.338,1271 1.583,1272 1.629,1273 0.702,1274 1.621,1275 1.341,1276 1.281,1277 1.519,1278 1.515,1279 0.557,1280 1.518,1281 1.135,1282 1.071,1283 1.426,1284 1.413,1285 0.534,1286 1.415,1287 4.394,1289 5.707,1290 2.398,1291 7.206,1292 4.727,1293 8.791,1294 6.823,1295 10.422,1297 3.76,1303 1.293,1305 3.142,1306 6.173,1308 -0.2,1309 1.853,1314 41.858,1315 96.081,1316 240.761,1317 325.415,1318 363.944,1319 367.944,1320 367.944,1321 57.473,1322 8.31,1323 83.14,1324 83.14,1325 29,1326 12.723,1327 4.858,1328 3.954,1329 54.325,1330 175,1331 172,1332 0.145,1333 255.889,1334 432.22,1335 616.13,1336 56162,1338 24.907,1339 0.692,1340 0.568,1341 24.907,1342 20.44,1343 17.547,1344 0.439,1345 0.299,1346 11.802,1347 16.954,1348 11.451,1349 9.549,1350 17.547,1351 11.961,1352 15.866,1353 0.288,1354 0.168,1355 15.866,1356 9.224,1357 12.781,1358 0.18,1359 0.086,1360 12.781,1361 6.104,1362 11.212,1363 0.119,1364 0.047,1365 11.212,1366 4.393,1367 8.775,1368 0.076,1369 0.025,1370 8.775,1371 2.895,1372 0.23,1373 109.411,1374 0.191,1375 33.187,1376 0.388,1377 190,1378 511.072,1379 203.723,1380 501.706,1381 691.5,1382 472,1383 221,1384 507.668,1385 235.502,1386 523.197,1387 755.37,1388 489,1389 5.1}
{0 CHEMBL1991728,1 1.598,2 22.185,3 -0.928,4 0.862,5 207.385,6 7.183,7 0.218,8 4.718,9 4.894,10 4.199,11 4.089,12 5.966,13 4.091,14 5.165,15 5.381,16 4.502,17 4.43,18 6.398,19 4.387,20 5.413,21 5.656,22 4.538,23 4.572,24 6.569,25 4.522,26 5.5,27 5.755,28 4.566,29 4.639,30 6.554,31 4.573,32 5.523,33 5.758,34 4.676,35 4.696,36 6.623,37 4.64,38 5.619,39 5.852,40 4.695,41 4.752,42 6.788,43 4.688,44 5.77,45 6.058,46 4.671,47 4.76,48 6.865,49 4.662,50 5.668,51 5.937,52 4.631,53 4.684,54 6.812,55 4.601,56 0.353,57 1.579,58 23.445,59 6.543,60 47.973,61 11.042,62 0.744,63 2.147,64 38.473,65 12.348,66 89.443,67 19.385,68 1.031,69 2.465,70 51.551,71 12.239,72 133.282,73 21.522,74 0.863,75 2.574,76 56.713,77 14.218,78 111.366,79 25.021,80 0.818,81 2.743,82 56.959,83 15.623,84 105.836,85 26.31,86 0.998,87 2.905,88 62.506,89 15.464,90 132.548,91 27.253,92 1.533,93 2.835,94 77.741,95 18.303,96 198.485,97 32.569,98 1.607,99 2.662,100 69.816,101 16.793,102 200.218,103 28.76,104 261,105 72,106 0.231,107 0.513,108 0.612,109 0.631,110 0.631,111 0.631,112 4.009,113 0.899,114 -3.2,115 -3.19,116 -3.06,119 30.8,120 4,121 4,125 2,142 6,143 4,144 2,157 4,159 6,163 8,164 8,165 8,166 4,172 11,175 8,177 8,178 12,179 6,180 6,182 8,183 14,186 4,188 16,190 8,191 8,193 6,196 13,200 18,205 10,208 4,213 14,216 4,218 28,221 4,223 16,224 2,225 12,228 4,230 20,233 6,235 16,237 8,238 10,241 4,242 1,243 14,246 8,248 8,249 6,253 4,254 8,255 8,257 8,258 10,260 8,264 4,266 8,267 10,268 2,269 8,272 14,274 8,276 8104,277 34.689,278 34.689,279 34.689,280 34.689,281 34.689,282 30.544,283 47.003,284 21.18,285 35.537,286 27.159,287 27.159,288 27.159,289 27.159,290 27.159,291 21.283,292 56.857,293 10.258,294 28.349,295 5.102,296 3.149,297 2.467,298 2.337,299 2.337,300 2.337,301 4.677,307 2406,308 7.141,312 484.873,319 3.128,320 61.416,323 0.25,324 0.33,325 0.33,326 0.7,327 0.5,328 0.17,330 0.33,331 120,332 1198,333 4.376,334 3.548,335 6.231,336 3.98,337 2.994,338 4.022,339 1.656,340 9.385,341 2.953,342 4.376,343 3.548,344 6.231,345 3.98,346 2.994,347 4.022,348 1.656,349 9.385,350 2.953,351 4,352 3.194,353 5.871,354 3.575,355 2.601,356 3.393,357 1.072,358 8.03,359 2.534,360 4,361 3.194,362 5.871,363 3.575,364 2.601,365 3.393,366 1.072,367 8.03,368 2.534,369 3.813,370 3.025,371 5.413,372 3.456,373 2.491,374 3.127,375 1.072,376 7.114,377 2.392,378 3.812,379 3.025,380 5.413,381 3.454,382 2.489,383 3.127,384 1.072,385 7.114,386 2.39,387 3.647,388 2.76,389 4.823,390 3.146,391 2.218,392 2.883,393 0.782,394 5.501,395 2.064,396 3.647,397 2.76,398 4.822,399 3.143,400 2.216,401 2.883,402 0.782,403 5.498,404 2.058,405 3.582,406 2.688,407 4.66,408 3.077,409 2.159,410 2.814,411 0.782,412 5.157,413 1.978,414 3.582,415 2.688,416 4.66,417 3.077,418 2.159,419 2.814,420 0.782,421 5.157,422 1.978,423 3.373,424 2.42,425 4.657,426 2.978,427 2.013,428 2.565,429 0.247,430 5.128,431 1.929,432 3.37,433 2.42,434 4.657,435 2.952,436 1.986,437 2.564,438 0.247,439 5.126,440 1.903,441 2.894,442 1.931,443 4.151,444 2.777,445 1.778,446 1.945,448 3.741,449 1.771,450 2.882,451 1.73,452 4.149,453 2.405,454 1.438,455 1.938,457 3.683,458 1.387,459 2.825,460 1.725,461 3.949,462 2.353,463 1.388,464 1.828,466 3.589,467 1.335,468 24.667,469 0.457,470 1.555,471 0.029,472 62,473 1.148,474 28,475 0.519,476 34,477 0.63,478 60.777,479 1.126,480 62.333,481 0.599,482 65.3,483 1.209,484 13.308,485 0.246,486 12.222,487 0.226,488 0.238,490 0.324,496 1.041,497 1.36,498 0.936,499 1.084,500 1.043,501 0.986,502 0.374,503 1.147,504 0.73,505 1.187,506 0.334,507 1.049,508 1.229,509 0.985,510 1.124,511 0.968,512 1.051,513 1.013,514 1.097,515 1.126,516 0.965,517 1.021,518 0.904,519 0.971,520 1.018,521 1.288,522 0.91,523 1.18,524 1.021,525 1.055,526 1.17,527 1.336,528 1.181,529 1.337,530 1.147,531 1.27,532 0.92,533 0.957,534 0.901,535 0.981,536 1.007,537 0.948,538 1.099,539 0.929,540 0.984,541 0.981,542 1.268,543 0.987,544 13.5,545 0.339,546 5.111,547 3,548 2.747,549 2.236,550 1.381,551 1.069,552 0.895,553 0.571,554 65963,555 207751,556 1.884,557 48.1,558 4,559 10,562 20,563 12,564 4,567 1.865,568 1.723,569 4.347,570 15.379,577 166.214,578 1.598,579 3.551,580 4.234,581 4.364,582 4.364,583 4.364,584 3.616,585 3.94,586 5.732,587 4.658,588 6665.54,589 10.186,590 170260,595 696.846,596 1.545,597 5.653,598 0.245,599 0.005,600 0.071,601 0.041,602 0.036,603 0.026,604 0.017,605 0.014,606 0.012,607 0.008,608 0.476,609 0.17,610 0.5,611 1.724,612 346.272,613 -0.145,614 0.065,615 -0.024,616 0.103,617 -0.212,618 0.072,619 0.415,620 0.09,621 0.19,622 -0.002,623 0.351,624 0.038,625 -0.203,626 0.161,627 -0.152,628 0.067,629 -0.139,630 -0.019,631 -0.166,632 -0.051,633 -0.002,634 0.057,635 -0.079,636 0.064,637 -0.061,638 -0.169,639 0.042,640 -0.046,641 -0.045,642 0.007,643 -0.172,644 -0.184,645 -0.222,646 -0.256,647 -0.147,648 -0.248,649 0.079,650 -0.031,651 0.095,652 0.015,653 0.019,654 0.054,655 0.059,656 0.033,657 0.022,658 0.022,659 -0.01,660 0.006,661 2.072,662 5.709,663 0.222,664 95.342,665 1.009,666 1.16,667 1.97,668 3.88,669 0.62,670 4.025,671 4.29,672 4.382,673 4.554,674 4.787,675 4.86,676 4.956,677 4.99,678 4.97,679 4.934,680 13.752,681 0.594,682 747.02,683 4.025,684 5.541,685 6.323,686 7.16,687 7.971,688 8.816,689 9.645,690 10.495,691 11.335,692 12.191,693 19.2,694 8,700 4,702 8,709 6,714 6,716 12,719 4,735 104,737 22,738 2,739 55,741 105,742 32,743 12,744 6,745 6,746 8,748 2,749 2,752 4,753 2,754 4,760 4,762 22,763 10,767 10,772 2,775 8,776 10,783 50,784 22,785 20,786 22,792 20,797 1,798 2,816 2,836 8,843 2,847 4,851 54,852 8,858 6,860 4,874 1.9,877 2,881 31.333,882 18.6,883 12.194,884 5.435,886 3.477,887 1.428,888 0.945,889 19.455,890 11.611,891 4.277,892 4.804,893 5.179,894 5.7,895 6.223,896 6.528,897 6.93,898 7.2,899 7.441,900 7.594,901 0.929,902 73,903 19.727,905 7.86,906 8.012,907 36.268,909 27.064,911 2.512,912 135.667,916 353.133,917 151.939,918 468.525,920 50.29,923 151.939,924 403.423,925 468.525,926 35.301,927 349.57,928 56.857,929 61.317,930 151.56,931 16.148,932 353.133,934 353.133,935 620.463,936 50.29,939 306.049,940 97.374,943 518.175,944 102.288,947 353.133,948 518.814,949 151.939,952 353.133,953 59.78,954 92.158,955 72.043,956 446.771,957 353.133,958 518.814,959 151.939,961 0.569,962 0.288,963 0.139,964 0.088,965 22,966 16,967 0.162,968 17,970 1,971 6.012,972 511.622,974 12,975 212.764,981 44.887,982 23.405,983 18.368,985 518.814,986 10.414,991 3.437,993 335.221,994 1023.89,995 71,1000 25.418,1003 30.796,1004 0.341,1007 104.945,1008 120.613,1009 0.239,1010 0.53,1011 0.632,1012 0.651,1013 0.651,1014 0.651,1015 5.501,1016 2.216,1017 6.297,1018 5.501,1019 4.977,1020 5.493,1021 3.115,1022 7.008,1023 4.901,1024 6.71,1025 2.159,1026 7.803,1027 5.498,1028 4.575,1029 5.308,1030 2.204,1031 7.727,1032 4.461,1033 8.005,1034 2.159,1035 9.403,1036 5.157,1037 6.482,1038 7.573,1039 3.42,1040 10.746,1041 6.345,1042 9.325,1043 2.013,1044 11.056,1045 5.157,1046 6.804,1047 8.093,1048 3.199,1049 12.249,1050 6.646,1051 10.668,1052 1.986,1053 12.743,1054 5.128,1055 8.228,1056 9.904,1057 4.07,1058 14.804,1059 8.051,1060 12.028,1061 1.778,1062 14.456,1063 5.126,1064 8.901,1065 10.782,1066 4.184,1067 16.673,1068 8.716,1069 13.4,1070 1.438,1071 16.187,1072 3.741,1073 10.122,1074 12.387,1075 4.904,1076 19.037,1077 9.92,1078 2.994,1079 1.388,1080 17.932,1081 3.683,1082 10.983,1083 13.475,1084 5.193,1085 21.087,1086 10.779,1087 2.994,1088 9.385,1089 19.69,1090 3.589,1091 12.115,1092 14.973,1093 5.828,1094 23.368,1095 11.897,1096 2.601,1097 9.385,1098 21.457,1099 4.022,1100 13.078,1101 16.186,1102 6.212,1103 25.508,1104 12.858,1105 2.601,1106 8.03,1107 23.233,1108 4.022,1109 14.172,1110 17.628,1111 6.794,1112 27.755,1113 13.941,1114 2.491,1115 8.03,1116 25.015,1117 3.393,1118 15.191,1119 18.916,1120 7.231,1121 29.939,1122 14.956,1123 2.489,1124 7.114,1125 26.802,1126 3.393,1127 16.273,1128 20.33,1129 7.781,1130 32.173,1131 16.028,1132 2.218,1133 7.114,1134 28.594,1135 3.127,1136 17.322,1137 21.661,1138 8.247,1139 34.381,1140 17.071,1141 66728,1142 118666,1143 34.213,1144 64.444,1145 80.014,1146 81.218,1147 82.195,1148 79.48,1149 79.398,1150 101.411,1151 22.446,1152 212.132,1153 76.313,1154 5.347,1155 5.548,1156 6.122,1157 5.031,1158 4.994,1159 7.022,1160 2.912,1161 15.714,1162 4.953,1163 42.05,1164 1.455,1165 1.477,1166 1.494,1167 1.445,1168 1.444,1169 1.844,1170 0.408,1171 3.857,1172 1.388,1173 4.018,1174 4.055,1175 3.971,1176 3.934,1177 7.433,1178 3.938,1179 3.964,1180 3.996,1181 3.923,1182 3.893,1183 7.429,1184 3.896,1185 3.776,1186 3.842,1187 3.638,1188 3.632,1189 5.381,1190 3.619,1191 3.632,1192 3.717,1193 3.578,1194 3.405,1195 5.345,1196 3.431,1197 3.632,1198 3.717,1199 3.578,1200 3.405,1201 5.343,1202 3.431,1203 3.63,1204 3.703,1205 3.554,1206 3.379,1207 5.343,1208 3.403,1209 3.576,1210 3.665,1211 3.508,1212 3.296,1213 4.847,1214 3.337,1215 3.524,1216 3.617,1217 3.441,1218 3.253,1219 4.827,1220 3.285,1221 0.08,1222 0.065,1223 0.113,1224 0.072,1225 0.054,1226 4.376,1227 0.073,1228 3.548,1229 0.03,1230 6.231,1231 0.171,1232 3.98,1233 0.054,1234 2.994,1235 4.022,1236 1.656,1237 9.385,1238 2.953,1239 1.947,1240 1.922,1241 2.036,1242 2.048,1243 1.366,1244 2.044,1245 1.947,1246 1.922,1247 2.031,1248 2.045,1249 1.168,1250 2.041,1251 1.77,1252 1.706,1253 2.013,1254 1.95,1255 1.167,1256 1.973,1257 1.547,1258 1.475,1259 1.792,1260 1.82,1261 1.072,1262 1.804,1263 1.537,1264 1.47,1265 1.734,1266 1.812,1267 0.791,1268 1.778,1269 1.537,1270 1.47,1271 1.734,1272 1.812,1273 0.791,1274 1.778,1275 1.439,1276 1.365,1277 1.638,1278 1.756,1279 0.698,1280 1.717,1281 1.416,1282 1.333,1283 1.628,1284 1.73,1285 0.672,1286 1.7,1287 4.71,1289 5.989,1291 7.418,1293 8.925,1295 10.487,1297 6.836,1301 43.178,1303 3.932,1305 11.315,1314 61.76,1315 166.214,1316 369.349,1317 440.316,1318 453.826,1319 453.826,1320 453.826,1321 234.434,1322 8.134,1323 389.3,1324 389.3,1325 12,1326 12.749,1327 4.524,1328 4.087,1329 185.196,1330 469,1331 330,1332 0.187,1333 399.979,1334 710.98,1335 967.708,1336 52888,1338 40.208,1339 0.745,1340 0.569,1341 40.208,1342 30.72,1343 25.531,1344 0.464,1345 0.3,1346 16.186,1347 24.242,1348 15.693,1349 13.301,1350 25.531,1351 16.478,1352 23.361,1353 0.324,1354 0.161,1355 23.361,1356 11.615,1357 15.887,1358 0.201,1359 0.088,1360 15.887,1361 6.989,1362 11.705,1363 0.125,1364 0.046,1365 11.705,1366 4.355,1367 9.956,1368 0.084,1369 0.026,1370 9.956,1371 3.055,1372 0.315,1373 162.006,1374 0.171,1375 47.264,1376 0.462,1377 254,1378 818.461,1379 288.957,1380 813.057,1381 1084.68,1382 746,1383 278,1384 807.769,1385 307.189,1386 817.846,1387 1144.64,1388 760,1389 6.3}
{0 CHEMBL1991800,1 1.574,2 11,3 4.584,4 21.015,5 125.278,6 7.443,7 0.595,8 4.201,9 4.327,10 3.77,11 3.734,12 5.298,13 3.718,14 4.729,15 4.915,16 4.119,17 4.113,18 5.788,19 4.075,20 4.976,21 5.189,22 4.2,23 4.249,24 6.031,25 4.187,26 5.127,27 5.396,28 4.184,29 4.246,30 6.121,31 4.183,32 4.949,33 5.168,34 4.246,35 4.262,36 5.963,37 4.217,38 5.003,39 5.21,40 4.288,41 4.326,42 6.142,43 4.279,44 5.033,45 5.243,46 4.175,47 4.332,48 6.055,49 4.242,50 5.048,51 5.291,52 4.085,53 4.239,54 6.059,55 4.136,56 0.042,57 1.002,58 12.288,59 5.296,60 11.219,61 7.046,62 0.244,63 1.587,64 23.182,65 8.842,66 34.411,67 12.124,68 0.298,69 1.93,70 31.114,71 11.164,72 45.631,73 15.619,74 0.702,75 1.988,76 40.5,77 11.3,78 83.282,79 16.883,80 0.321,81 1.871,82 30.147,83 9.906,84 32.94,85 14.615,86 0.59,87 2.036,88 31.514,89 9.894,90 61.228,91 14.437,92 0.278,93 2.031,94 32.367,95 12.225,96 35.847,97 17.289,98 0.383,99 1.975,100 34.921,101 12.385,102 55.323,103 17.699,104 21,105 54,106 0.253,107 0.624,108 0.812,109 0.837,110 0.837,111 0.837,112 3.533,113 0.911,114 -4.81,115 -4.72,116 -4.43,119 41.7,120 2,121 3,122 1,123 1,125 2,142 5,143 1,144 1,145 2,146 3,150 1,151 1,152 1,161 1,172 10,174 2,175 4,178 2,180 2,183 7,187 3,188 7,193 4,196 2,199 1,200 12,204 1,205 1,208 1,212 1,213 13,216 1,221 3,224 2,225 7,228 3,230 1,233 7,238 6,243 2,246 9,249 1,250 8,253 1,255 4,258 9,264 3,267 1,269 1,272 8,276 2145,277 22.334,278 22.334,279 22.334,280 22.334,281 22.334,282 19.81,283 14.25,284 12.82,285 22.796,286 18.196,287 18.196,288 18.196,289 18.196,290 18.196,291 14.359,292 16.338,293 6.041,294 19.025,295 4.333,296 2.018,297 0.852,298 0.692,299 0.692,300 0.692,301 4.231,305 1,306 1,307 795,308 3.873,309 53.333,311 68.464,312 276.88,315 133.438,319 1.636,320 33.187,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 71.5,332 363,333 4.768,334 3.376,335 7.066,336 4.305,337 3.355,338 4.724,339 0.4,340 12.232,341 3.19,342 4.197,343 3.228,344 6.69,345 4.169,346 3.179,347 3.794,349 10.767,350 3.149,351 4.154,352 2.953,353 6.277,354 3.806,355 2.827,356 3.667,358 9.404,359 2.772,360 4.045,361 2.877,362 5.886,363 3.617,364 2.656,365 3.242,367 8.218,368 2.564,369 3.785,370 2.664,371 5.554,372 3.549,373 2.583,374 3.153,376 7.516,377 2.479,378 3.601,379 2.521,380 5.356,381 3.27,382 2.331,383 2.85,385 6.855,386 2.174,387 3.466,388 2.297,389 5.039,390 3.067,391 2.131,392 2.636,394 6.011,395 1.98,396 3.172,397 1.912,398 4.979,399 2.743,400 1.8,401 2.392,403 5.508,404 1.692,405 3.016,406 1.558,407 4.419,408 2.467,409 1.526,410 2.266,412 4.036,413 1.431,414 2.735,415 1.361,416 4.258,417 2.237,418 1.289,419 1.838,421 3.497,422 1.218,423 2.605,424 1.193,425 3.644,426 2.068,427 1.128,428 1.655,430 2.669,431 1.055,432 2.5,433 1.139,434 3.552,435 2,436 1,437 1.5,439 2.275,440 1,441 2.217,442 1,443 3.46,444 1.753,445 0.815,446 1.107,448 2.177,449 0.762,450 1.825,451 0.899,452 3.414,453 1.631,454 0.716,455 0.776,457 1.614,458 0.652,459 1.456,460 0.766,461 3.106,462 1.226,463 0.34,464 0.348,466 0.669,467 0.294,468 15.519,469 0.47,470 0.912,471 0.028,472 42.75,473 1.295,474 20.5,475 0.621,476 22.25,477 0.674,478 30.857,479 0.935,480 35.481,481 0.591,482 33.584,483 1.018,484 7.841,485 0.238,486 8.091,487 0.245,488 0.104,489 0.032,490 0.316,494 1,496 0.766,497 1.267,498 0.774,499 1.093,500 0.693,501 0.965,502 0.746,503 1.059,504 0.819,505 0.999,506 0.645,507 0.938,508 0.869,509 1.187,510 0.948,511 1.142,512 0.798,513 1.073,514 1.19,515 0.765,516 0.879,517 0.599,518 1.043,519 0.658,520 0.749,521 0.979,522 0.83,523 0.872,524 0.501,525 0.85,526 0.863,527 0.834,528 1.061,529 0.867,530 0.598,531 0.95,532 0.71,533 1.139,534 1.064,535 1.244,536 0.663,537 1.219,538 0.752,539 1.079,540 0.982,541 1.147,542 0.728,543 1.114,544 7.5,545 0.293,546 3.833,547 2.007,548 2.118,549 1.202,550 0.765,551 0.707,552 0.489,553 0.409,554 14527,555 36631,556 2.123,557 45,558 11,559 9,560 1,561 2,562 2,563 2,567 1.761,568 1.99,569 3.4,570 0.192,577 94.425,578 1.574,579 3.889,580 5.055,581 5.215,582 5.215,583 5.215,584 2.89,585 4.718,586 5.009,587 3.601,588 1901.56,589 8.825,590 27667.5,592 1,595 354.413,596 1.521,597 4.972,598 0.203,599 0.009,600 0.075,601 0.038,602 0.04,603 0.021,604 0.013,605 0.014,606 0.011,607 0.01,608 0.434,609 0.17,610 0.88,611 1.133,612 172.342,613 -0.055,614 -0.169,615 0.048,616 -0.031,617 -0.056,618 0.015,619 0.049,620 -0.028,621 0.076,622 0.008,623 0.049,624 0.032,625 0.005,626 -0.159,627 -0.014,628 -0.149,629 0.015,630 -0.099,631 -0.123,632 0.128,633 0.145,634 0.311,635 -0.101,636 0.284,637 -0.039,638 -0.024,639 0.086,640 0.08,641 -0.011,642 0.103,643 -0.015,644 0.208,645 -0.143,646 0.06,647 0.025,648 -0.037,649 -0.009,650 -0.152,651 -0.162,652 -0.231,653 -0.032,654 -0.225,655 0.063,656 -0.125,657 -0.026,658 -0.155,659 0.049,660 -0.118,661 1.958,662 5.626,663 0.727,664 35.515,665 1.003,666 1.135,667 3.578,668 12.805,669 0.663,670 3.638,671 4.007,672 4.248,673 4.543,674 4.868,675 5.05,676 5.263,677 5.485,678 5.62,679 5.68,680 6.737,681 0.634,682 446.58,683 3.638,684 5.209,685 6.075,686 6.98,687 7.871,688 8.784,689 9.687,690 10.606,691 11.519,692 12.442,693 10,698 1,701 1,703 4,708 1,709 8,710 4,714 7,716 22,728 1,734 1,735 60,737 22,738 1,739 37,741 64,742 25,743 16,744 2,745 4,748 5,749 6,754 3,755 1,757 2,758 1,760 3,762 16,763 9,764 1,780 1,781 1,783 27,784 7,785 2,786 8,789 1,792 6,797 0.8,798 1,799 1,806 1,810 1,813 1,815 1,816 3,819 1,841 1,843 4,847 2,849 1,851 33,857 1,858 5,860 1,863 1,865 1,873 1,874 1.7,875 1,881 16.583,882 11.343,883 7.083,884 3.659,886 4.103,887 1.503,888 0.976,889 5.756,890 12.261,891 3.892,892 4.535,893 5.144,894 5.811,895 6.456,896 6.914,897 7.451,898 7.991,899 8.399,900 8.765,901 1,902 53,903 12.235,905 5.328,906 7.74,907 23.522,909 19.993,911 2.24,912 73.917,915 1,916 294.278,917 128.831,918 86.439,920 42.683,921 14.96,923 128.831,924 336.961,925 101.399,926 17.65,927 9.709,928 99.112,929 110.41,930 39.958,931 31.387,932 258.964,934 294.278,935 215.271,936 57.643,939 309.238,941 42.683,943 58.626,944 71.492,945 85.153,947 309.238,948 129.123,949 128.831,952 294.278,953 36.657,954 93.46,955 18.011,956 124.786,957 294.278,958 144.083,959 128.831,961 0.592,962 0.325,963 0.166,964 0.101,965 28,966 12,967 0.125,968 8,969 1,970 1.083,971 4.315,972 324.533,973 0.083,974 24,975 158.465,981 21.788,982 8.719,983 4.839,984 0.799,985 142.796,986 13.598,987 18.677,991 4.184,993 60.694,994 567.192,995 48,1007 60.17,1008 68.106,1009 0.266,1010 0.658,1011 0.856,1012 0.883,1013 0.883,1014 0.883,1015 5.156,1016 1.8,1017 6.098,1018 6.011,1019 4.691,1020 5.223,1021 0.278,1022 6.963,1023 4.606,1024 6.397,1025 1.526,1026 7.695,1027 5.508,1028 4.511,1029 5.147,1031 8.145,1032 4.412,1033 7.734,1034 1.289,1035 9.396,1036 4.036,1037 6.392,1038 7.483,1039 0.05,1040 11.158,1041 6.24,1042 9.105,1043 1.128,1044 11.159,1045 3.497,1046 6.976,1047 8.208,1049 13.117,1050 6.811,1051 10.505,1052 1,1053 12.961,1054 2.669,1055 8.392,1056 10.066,1057 0.008,1058 15.737,1059 8.183,1060 11.928,1061 0.815,1062 14.79,1063 2.275,1064 9.301,1065 11.194,1067 17.999,1068 9.072,1069 13.368,1070 0.716,1071 16.638,1072 2.177,1073 10.553,1074 12.857,1075 0.001,1076 20.509,1077 10.285,1078 3.355,1079 0.34,1080 18.502,1081 1.614,1082 11.608,1083 14.197,1085 22.895,1086 11.313,1087 3.179,1088 12.232,1089 20.378,1090 0.669,1091 12.804,1092 15.779,1094 25.376,1095 12.472,1096 2.827,1097 10.767,1098 22.264,1099 4.724,1100 13.926,1101 17.226,1103 27.816,1104 13.562,1105 2.656,1106 9.404,1107 24.158,1108 3.794,1109 15.106,1110 18.78,1112 30.293,1113 14.705,1114 2.583,1115 8.218,1116 26.059,1117 3.667,1118 16.261,1119 20.279,1121 32.758,1122 15.823,1123 2.331,1124 7.516,1125 27.966,1126 3.242,1127 17.44,1128 21.825,1130 35.239,1131 16.964,1132 2.131,1133 6.855,1134 29.877,1135 3.153,1136 18.612,1137 23.35,1139 37.717,1140 18.096,1141 13748,1142 21993,1143 24.849,1144 39.802,1145 56.307,1146 57.223,1147 57.834,1148 55.796,1149 55.864,1150 72.487,1151 0.8,1152 167.849,1153 53.318,1154 5.68,1155 5.376,1156 6.616,1157 5.379,1158 5.355,1159 7.724,1160 0.8,1161 19.775,1162 5.19,1163 15.766,1164 1.522,1165 1.547,1166 1.563,1167 1.508,1168 1.51,1169 1.959,1170 0.022,1171 4.536,1172 1.441,1173 4.171,1174 4.216,1175 4.15,1176 4.03,1177 8.201,1178 4.053,1179 3.902,1180 3.949,1181 3.82,1182 3.817,1183 6.456,1184 3.809,1185 3.85,1186 3.899,1187 3.79,1188 3.734,1189 5.122,1190 3.739,1191 3.821,1192 3.869,1193 3.72,1194 3.672,1195 4.939,1196 3.675,1197 3.705,1198 3.759,1199 3.602,1200 3.556,1201 4.641,1202 3.567,1203 3.284,1204 3.341,1205 3.234,1206 3.121,1207 4.372,1208 3.141,1209 3.118,1210 3.206,1211 2.977,1212 2.914,1213 4.261,1214 2.911,1215 3.042,1216 3.115,1217 2.901,1218 2.859,1219 4.25,1220 2.864,1221 0.129,1222 0.091,1223 0.191,1224 0.116,1225 0.091,1226 4.768,1227 0.128,1228 3.376,1229 0.011,1230 7.066,1231 0.331,1232 4.305,1233 0.086,1234 3.355,1235 4.724,1236 0.4,1237 12.232,1238 3.19,1239 1.928,1240 1.9,1241 2.013,1242 2.086,1243 1.286,1244 2.058,1245 1.874,1246 1.832,1247 1.994,1248 1.998,1249 1.186,1250 1.992,1251 1.792,1252 1.739,1253 1.954,1254 1.967,1255 1.105,1256 1.975,1257 1.697,1258 1.652,1259 1.812,1260 1.862,1261 0.929,1262 1.856,1263 1.395,1264 1.337,1265 1.612,1266 1.573,1267 0.825,1268 1.59,1269 1.223,1270 1.177,1271 1.513,1272 1.419,1273 0.746,1274 1.429,1275 1.153,1276 1.064,1277 1.417,1278 1.376,1279 0.549,1280 1.417,1281 1.067,1282 0.976,1283 1.413,1284 1.339,1285 0.469,1286 1.33,1287 4.317,1288 1.946,1289 5.673,1290 3.932,1291 7.219,1292 5.861,1293 8.846,1294 7.784,1295 10.518,1297 3.935,1299 13.626,1302 9.545,1303 3.938,1305 3.225,1308 0.669,1310 -0.3,1314 38.021,1315 94.425,1316 233.317,1317 303.294,1318 312.904,1319 312.904,1320 312.904,1321 59.106,1322 8.158,1323 88.23,1324 88.23,1325 26,1326 12.951,1327 4.524,1328 3.585,1329 47.421,1330 125,1331 156,1332 0.177,1333 230.298,1334 390.12,1335 553.688,1336 38476,1337 1.7,1338 23.001,1339 0.697,1340 0.569,1341 22.131,1342 18.793,1343 15.932,1344 0.431,1345 0.304,1346 11.082,1347 15.327,1348 10.773,1349 8.946,1350 15.538,1351 11.234,1352 15.044,1353 0.279,1354 0.175,1355 14.422,1356 9.472,1357 12.065,1358 0.175,1359 0.082,1360 11.655,1361 5.675,1362 9.62,1363 0.103,1364 0.039,1365 9.468,1366 3.654,1367 8.541,1368 0.066,1369 0.02,1370 8.312,1371 2.633,1372 0.271,1373 99.88,1374 0.201,1375 30.186,1376 0.506,1377 182,1378 528.819,1379 199.509,1380 492.022,1381 678.92,1382 462,1383 217,1384 507.975,1385 235.698,1386 511.376,1387 755.05,1388 481,1389 5.1}
{0 CHEMBL1991846,1 1.41,2 12.32,3 2.603,4 6.776,5 100.649,6 7.205,7 0.667,8 3.903,9 4.024,10 3.443,11 3.489,12 5.028,13 3.454,14 4.377,15 4.538,16 3.704,17 3.829,18 5.422,19 3.767,20 4.628,21 4.841,22 3.678,23 3.921,24 5.613,25 3.809,26 4.647,27 4.905,28 3.515,29 3.82,30 5.505,31 3.682,32 4.529,33 4.771,34 3.535,35 3.758,36 5.478,37 3.649,38 4.536,39 4.771,40 3.522,41 3.75,42 5.517,43 3.638,44 4.505,45 4.769,46 3.461,47 3.672,48 5.435,49 3.561,50 4.302,51 4.529,52 3.34,53 3.553,54 5.297,55 3.451,56 0.04,57 0.635,58 9.425,59 4.123,60 11.306,61 5.491,62 0.117,63 0.981,64 16.271,65 6.616,66 19.273,67 8.85,68 0.28,69 1.195,70 22.461,71 8.753,72 34.718,73 12.037,74 0.193,75 1.163,76 24.058,77 9.285,78 30.928,79 12.96,80 0.169,81 1.083,82 20.859,83 7.752,84 30.142,85 10.885,86 0.207,87 1.094,88 20.992,89 7.721,90 33.655,91 10.733,92 0.189,93 1.044,94 20.983,95 7.436,96 30.623,97 10.582,98 0.184,99 0.872,100 16.485,101 6.006,102 26.428,103 8.289,104 2,105 34,106 0.241,107 0.554,108 0.74,109 0.844,110 0.861,111 0.861,112 3.265,113 0.917,114 -3.34,115 -3.32,116 -3.18,119 45.7,121 1,125 1,127 1,135 2,142 8,143 3,144 1,145 4,163 1,164 1,165 1,172 13,175 4,180 1,183 14,185 1,187 1,188 5,190 1,191 1,193 1,196 9,198 1,200 4,205 2,208 4,210 2,213 5,218 3,221 3,223 3,225 7,227 1,228 1,230 2,233 2,235 2,238 5,243 1,246 4,248 1,249 1,250 2,255 1,258 6,260 1,263 1,264 2,269 1,272 7,274 1,276 1016,277 17.275,278 17.275,279 17.275,280 17.275,281 17.275,282 14.944,283 8.592,284 10.822,285 17.546,286 13.399,287 13.399,288 13.399,289 13.399,290 13.399,291 10.043,292 7.94,293 5.249,294 13.825,295 4.114,296 2.281,297 1.19,298 0.582,299 0.478,300 0.478,301 3.955,304 1,305 1,306 1,307 659,308 3.162,312 277.277,319 2.093,320 13.815,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 52.5,332 308,333 4.113,334 2.974,335 5.614,336 3.693,337 2.724,338 3.726,339 0.86,340 7.782,341 2.646,342 3.93,343 2.795,344 5.481,345 3.608,346 2.615,347 3.482,349 7.384,350 2.595,351 3.911,352 2.545,353 5.337,354 3.485,355 2.5,356 3.454,358 6.962,359 2.459,360 3.449,361 2.342,362 4.993,363 3.147,364 2.186,365 2.715,367 5.981,368 2.094,369 3.23,370 2.114,371 4.763,372 2.949,373 1.983,374 2.332,376 5.353,377 1.906,378 2.967,379 1.536,380 3.643,381 2.437,382 1.497,383 2.147,385 3.154,386 1.413,387 2.822,388 1.492,389 3.586,390 2.405,391 1.414,392 1.931,394 3.027,395 1.392,396 2.69,397 1.288,398 3.499,399 2.143,400 1.225,401 1.769,403 2.672,404 1.122,405 2.5,406 1,407 3.247,408 2,409 1,410 1.5,412 2.136,413 1,414 2.5,415 1,416 3.247,417 1.984,418 1,419 1.5,421 2.136,422 0.983,423 2.306,424 0.986,425 3.137,426 1.594,427 0.62,428 0.984,430 1.459,431 0.6,432 1.715,433 0.601,434 3.04,435 1.464,436 0.561,437 0.637,439 1.305,440 0.502,441 1.047,442 0.08,443 2.522,444 0.786,445 -0.187,446 -0.217,448 -0.455,449 -0.182,450 0.918,451 -0.262,452 2.298,453 0.565,454 -0.407,455 -0.51,457 -0.976,458 -0.393,459 0.72,460 -0.431,461 1.916,462 0.303,463 -0.624,464 -0.742,466 -1.505,467 -0.572,468 12.033,469 0.481,470 0.379,471 0.015,472 35.25,473 1.41,474 20,475 0.8,476 15.25,477 0.61,478 16.227,479 0.649,480 25.767,481 0.56,482 23.553,483 0.942,484 7.244,485 0.29,486 5.048,487 0.202,488 0.033,490 0.208,496 0.936,497 1.126,498 0.836,499 0.997,500 1.066,501 0.918,502 1.292,503 1.104,504 1.049,505 1.064,506 1.076,507 1.038,508 1.115,509 1.023,510 1.123,511 1.099,512 1.13,513 1.116,514 1.112,515 0.984,516 0.951,517 0.993,518 0.887,519 0.972,520 1.167,521 1.04,522 0.985,523 0.995,524 1.076,525 0.974,526 1.295,527 1.059,528 1.079,529 1.055,530 1.285,531 1.049,532 1.216,533 0.932,534 0.896,535 0.858,536 0.949,537 0.843,538 1.41,539 0.971,540 1.097,541 0.982,542 1.205,543 1.006,544 4,545 0.054,546 1.333,547 0.75,548 0.924,549 0.333,550 0.307,551 0.226,552 0.086,553 0.108,554 8445,555 20683,556 2.11,557 45.7,559 13,561 4,562 2,564 2,567 1.674,568 2.055,569 3.601,570 0.194,571 1,572 1,577 64.852,578 1.41,579 3.243,580 4.333,581 4.942,582 5.045,583 5.045,584 3.083,585 3.604,586 4.615,587 3.769,588 1130.61,589 7.95,590 14770.2,592 1,594 1,595 254.084,596 0.951,597 4.611,598 0.148,599 0.003,600 0.039,601 0.024,602 0.036,603 0.012,604 0.012,605 0.009,606 0.004,607 0.006,608 0.293,609 0.33,610 1,611 0.372,612 124.543,613 -0.037,614 -0.023,615 0.038,616 0.004,617 -0.117,618 0.027,619 -0.146,620 -0.05,621 -0.124,622 -0.079,623 -0.12,624 -0.094,625 0.068,626 -0.038,627 -0.153,628 -0.118,629 -0.064,630 -0.152,631 -0.022,632 -0.076,633 0.054,634 0.002,635 0.036,636 0.027,637 -0.06,638 -0.062,639 0.007,640 -0.026,641 0.025,642 -0.005,643 -0.056,644 -0.072,645 -0.081,646 -0.095,647 -0.086,648 -0.093,649 -0.043,650 0.035,651 0.125,652 0.1,653 0.091,654 0.128,655 -0.105,656 0.036,657 -0.101,658 -0.027,659 -0.101,660 -0.059,661 1.39,662 2.301,663 0.72,664 26.048,665 0.991,666 1.118,667 2.108,668 4.445,669 0.681,670 3.332,671 3.555,672 3.714,673 3.892,674 4.06,675 3.892,676 3.97,677 4.025,678 4.094,679 4.094,680 7.26,681 0.642,682 331.45,683 3.332,684 4.812,685 5.602,686 6.418,687 7.219,688 8.038,689 8.842,690 9.661,691 10.469,692 11.288,693 6.5,694 1,703 2,709 12,710 2,714 4,716 18,733 1,735 46,737 19,738 1,739 27,741 48,742 21,743 16,744 1,745 5,746 2,748 3,749 3,760 2,762 18,763 3,767 1,774 2,779 1,780 1,783 21,784 4,785 2,786 4,792 3,797 1,798 1,809 2,816 3,834 2,836 1,843 3,851 25,852 1,858 2,861 1,863 1,874 2.2,879 1,881 12.167,882 7.9,883 5.667,884 2.572,886 3.59,887 1.524,888 0.977,889 6.052,890 10.434,891 3.638,892 4.151,893 4.652,894 5.15,895 5.652,896 5.559,897 5.9,898 6.207,899 6.591,900 6.869,901 1,902 31,903 9.176,905 3.719,906 7.6,907 17.686,909 13.94,911 2.1,912 52.5,915 1,916 223.651,917 152.879,918 66.468,920 11,923 152.879,924 234.651,925 66.468,927 40.024,928 94.762,929 80.655,930 61.99,932 176.567,934 223.651,935 219.347,936 11,939 200.109,940 34.542,943 76.214,944 90.61,945 52.524,947 223.651,948 77.468,949 152.879,952 223.651,953 21.927,954 130.952,956 77.468,957 223.651,958 77.468,959 152.879,961 0.556,962 0.304,963 0.162,964 0.089,965 14,966 5,967 0.146,968 7,970 1,971 3.987,972 184.998,974 18,975 108.096,981 17.032,982 8.883,983 5.645,985 77.468,986 23.098,987 8.237,991 4.003,993 32.897,994 453.998,995 37,1002 4.017,1007 45.585,1008 51.441,1009 0.255,1010 0.587,1011 0.785,1012 0.895,1013 0.913,1014 0.913,1015 4.8,1016 1.225,1017 5.509,1018 3.027,1019 4.234,1020 4.836,1021 0.908,1022 6.155,1023 4.176,1024 5.95,1025 1,1026 6.954,1027 2.672,1028 3.434,1029 4.111,1031 6.629,1032 3.374,1033 7.187,1034 1,1035 8.487,1036 2.136,1037 5.666,1038 6.891,1039 0.739,1040 9.67,1041 5.564,1042 8.455,1043 0.62,1044 10.073,1045 2.136,1046 5.673,1047 6.969,1049 10.96,1050 5.57,1051 9.75,1052 0.561,1053 11.692,1054 1.459,1055 7.319,1056 9.177,1057 0.593,1058 13.433,1059 7.18,1060 11.066,1061 -0.187,1062 13.333,1063 1.305,1064 7.739,1065 9.684,1067 15.082,1068 7.596,1069 12.398,1070 -0.407,1071 14.99,1072 -0.455,1073 9.086,1074 11.575,1075 0.469,1076 17.316,1077 8.912,1078 2.724,1079 -0.624,1080 16.657,1081 -0.976,1082 9.74,1083 12.342,1085 19.144,1086 9.557,1087 2.615,1088 7.782,1089 18.331,1090 -1.505,1091 10.923,1092 14.034,1093 0.366,1094 21.268,1095 10.713,1096 2.5,1097 7.384,1098 20.011,1099 3.726,1100 11.713,1101 14.97,1103 23.189,1104 11.489,1105 2.186,1106 6.962,1107 21.695,1108 3.482,1109 12.804,1110 16.532,1111 0.283,1112 25.261,1113 12.556,1114 1.983,1115 5.981,1116 23.383,1117 3.454,1118 13.674,1119 17.581,1121 27.232,1122 13.409,1123 1.497,1124 5.353,1125 25.073,1126 2.715,1127 14.715,1128 19.056,1129 0.217,1130 29.281,1131 14.427,1132 1.414,1133 3.154,1134 26.766,1135 2.332,1136 15.632,1137 20.183,1139 31.278,1140 15.324,1141 8060,1142 12723,1143 18.663,1144 31.324,1145 39.378,1146 38.857,1147 38.738,1148 38.618,1149 38.648,1150 52.353,1151 1.72,1152 98.697,1153 37.424,1154 5.007,1155 4.974,1156 5.416,1157 4.747,1158 4.724,1159 6.726,1160 1.72,1161 13.396,1162 4.646,1163 6.294,1164 1.458,1165 1.439,1166 1.435,1167 1.43,1168 1.431,1169 1.939,1170 0.064,1171 3.655,1172 1.386,1173 3.972,1174 4.005,1175 3.911,1176 3.889,1177 5.04,1178 3.888,1179 3.909,1180 3.943,1181 3.837,1182 3.844,1183 4.947,1184 3.839,1185 3.814,1186 3.851,1187 3.758,1188 3.701,1189 4.886,1190 3.71,1191 3.573,1192 3.638,1193 3.443,1194 3.407,1195 4.735,1196 3.406,1197 3.271,1198 3.323,1199 3.174,1200 3.138,1201 4.384,1202 3.14,1203 3.005,1204 3.067,1205 2.868,1206 2.827,1207 4.229,1208 2.823,1209 2.854,1210 2.936,1211 2.687,1212 2.735,1213 3.754,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.697,1220 2.715,1221 0.152,1222 0.11,1223 0.208,1224 0.137,1225 0.101,1226 4.113,1227 0.138,1228 2.974,1229 0.032,1230 5.614,1231 0.288,1232 3.693,1233 0.098,1234 2.724,1235 3.726,1236 0.86,1237 7.782,1238 2.646,1239 1.928,1240 1.898,1241 2.061,1242 2.032,1243 1.257,1244 2.039,1245 1.909,1246 1.88,1247 2.012,1248 2.003,1249 1.074,1250 2.012,1251 1.778,1252 1.745,1253 1.887,1254 1.917,1255 0.963,1256 1.911,1257 1.55,1258 1.49,1259 1.773,1260 1.754,1261 0.899,1262 1.764,1263 1.251,1264 1.202,1265 1.443,1266 1.421,1267 0.51,1268 1.432,1269 0.988,1270 0.925,1271 1.294,1272 1.222,1273 0.428,1274 1.245,1275 0.886,1276 0.821,1277 1.181,1278 1.131,1279 0.218,1280 1.138,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.007,1289 5.252,1291 6.683,1293 8.191,1295 9.733,1301 6.161,1303 1.24,1306 5.801,1308 -0.057,1314 29.52,1315 64.852,1316 149.171,1317 199.329,1318 227.329,1319 232.084,1320 232.084,1321 34.36,1322 6.845,1323 61.03,1324 61.03,1325 18,1326 11.872,1327 4.322,1328 3.459,1329 42.038,1330 108,1331 96,1332 0.182,1333 185.135,1334 317.47,1335 443.488,1336 9294,1338 17.322,1339 0.693,1340 0.558,1341 17.322,1342 13.954,1343 12.293,1344 0.455,1345 0.306,1346 8.17,1347 11.978,1348 7.976,1349 6.675,1350 12.293,1351 8.249,1352 10.402,1353 0.306,1354 0.171,1355 10.402,1356 5.829,1357 8.127,1358 0.203,1359 0.093,1360 8.127,1361 3.713,1362 6.504,1363 0.135,1364 0.051,1365 6.504,1366 2.452,1367 5.217,1368 0.092,1369 0.028,1370 5.217,1371 1.596,1372 0.297,1373 75.954,1374 0.231,1375 25.145,1376 0.47,1377 122,1378 322.338,1379 129.345,1380 320.366,1381 439.42,1382 302,1383 135,1384 318.314,1385 142.595,1386 328.448,1387 465.77,1388 308,1389 5.1}
{0 CHEMBL1992220,1 1.65,2 13.069,3 3.102,4 9.621,5 114.479,6 7.811,7 0.5,8 4.078,9 4.217,10 3.681,11 3.584,12 5.144,13 3.569,14 4.632,15 4.821,16 4.067,17 3.993,18 5.713,19 3.942,20 4.921,21 5.172,22 4.058,23 4.111,24 5.837,25 4.026,26 4.912,27 5.164,28 4.075,29 4.063,30 5.906,31 3.981,32 4.865,33 5.112,34 4.002,35 4.009,36 5.896,37 3.928,38 4.775,39 5.004,40 4.046,41 3.999,42 5.79,43 3.907,44 4.756,45 4.992,46 3.908,47 3.985,48 5.732,49 3.839,50 4.708,51 4.974,52 3.662,53 3.859,54 5.551,55 3.702,56 0.064,57 0.849,58 10.655,59 4.2,60 7.606,61 5.939,62 0.379,63 1.328,64 21.443,65 7.604,66 34.187,67 10.951,68 0.407,69 1.546,70 33.063,71 9.66,72 44.777,73 14.525,74 0.502,75 1.482,76 33.342,77 9.3,78 51.997,79 14.057,80 0.559,81 1.384,82 32.694,83 8.719,84 64.763,85 12.708,86 0.485,87 1.277,88 31.412,89 8.5,90 51.604,91 12.163,92 0.522,93 1.193,94 34.459,95 9.92,96 49.812,97 13.795,98 0.334,99 1.105,100 32.154,101 9.247,102 39.039,103 13.385,104 14,105 44,106 0.274,107 0.63,108 0.787,109 0.823,110 0.842,111 0.867,112 3.408,113 0.964,114 -3.8,115 -3.76,116 -3.57,119 37.7,120 1,121 4,125 1,127 2,142 3,143 2,145 1,146 1,147 1,150 1,151 1,159 1,161 1,172 5,174 1,175 6,178 5,179 1,180 7,183 6,188 3,193 5,196 4,200 10,203 1,205 8,208 2,212 1,213 9,217 1,218 3,221 2,225 1,228 1,229 1,230 2,233 9,237 1,238 2,241 4,242 1,243 1,246 11,255 2,258 4,263 2,264 2,267 2,269 6,272 4,276 1431,277 19.834,278 19.834,279 19.834,280 19.834,281 19.834,282 17.836,283 21.23,284 11.916,285 20.424,286 15.824,287 15.824,288 15.824,289 15.824,290 15.824,291 12.752,292 32.737,293 5.652,294 16.788,295 4.078,296 1.934,297 0.986,298 0.769,299 0.656,300 0.505,301 4.107,303 1,305 1,306 1,307 824,308 3.317,311 64.22,312 275.622,315 121.303,319 2.007,320 27.124,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 62.833,332 379,333 4.6,334 3.545,335 6.714,336 4.141,337 3.167,338 4.535,339 1.656,340 10.928,341 3.088,342 4.152,343 3.205,344 5.872,345 3.726,346 2.787,347 3.816,348 0.4,349 8.381,350 2.643,351 3.788,352 2.976,353 5.597,354 3.599,355 2.653,356 2.962,357 0.247,358 7.64,359 2.479,360 3.618,361 2.755,362 5.43,363 3.357,364 2.396,365 2.905,367 7.131,368 2.295,369 3.48,370 2.449,371 5.145,372 3.096,373 2.154,374 2.657,376 6.294,377 2.028,378 3.265,379 2.31,380 4.798,381 2.936,382 2.017,383 2.406,385 5.429,386 1.837,387 3.046,388 1.978,389 4.66,390 2.678,391 1.777,392 2.319,394 5.028,395 1.53,396 2.972,397 1.547,398 4.501,399 2.513,400 1.547,401 2.125,403 4.23,404 1.489,405 2.894,406 1.511,407 4.004,408 2.374,409 1.434,410 1.96,412 3.444,413 1.322,414 2.524,415 1.457,416 3.564,417 2,418 1.031,419 1.535,421 2.559,422 1,423 2.117,424 1.037,425 3.414,426 1.994,427 1.022,428 1.071,430 2.275,431 0.986,432 2,433 1,434 3.156,435 1.986,436 1,437 1,439 1.716,440 0.98,441 1.973,442 0.675,443 3.094,444 1.428,445 0.489,446 0.721,448 1.179,449 0.458,450 1.372,451 0.494,452 2.931,453 1.192,454 0.241,455 0.259,457 0.589,458 0.228,459 1,460 0.236,461 2.557,462 0.702,463 -0.241,464 -0.267,466 -0.592,467 -0.219,468 13.848,469 0.478,470 0.639,471 0.022,472 36,473 1.241,474 16,475 0.552,476 20,477 0.69,478 26.232,479 0.905,480 31.752,481 0.599,482 25.156,483 0.867,484 6.667,485 0.23,486 7.451,487 0.257,488 0.112,490 0.325,496 0.845,497 1.492,498 0.673,499 1.04,500 0.613,501 0.939,502 0.523,503 1.136,504 0.721,505 1.05,506 0.442,507 1.023,508 1.021,509 1.078,510 0.828,511 0.891,512 0.884,513 0.897,514 1.028,515 1.047,516 0.792,517 0.911,518 1.06,519 0.909,520 1.473,521 0.912,522 0.991,523 0.796,524 1.709,525 0.872,526 1.302,527 0.977,528 1.192,529 0.947,530 1.33,531 0.98,532 0.887,533 0.856,534 1.495,535 1.216,536 0.811,537 1.19,538 0.926,539 1.021,540 1.257,541 1.14,542 0.813,543 1.083,544 6,545 0.129,546 2.444,547 2.007,548 1.303,549 0.625,550 0.777,551 0.311,552 0.288,553 0.121,554 11671,555 31869,556 2.111,557 45.3,559 7,560 1,561 1,562 4,564 11,567 1.716,568 2,569 3.639,570 1.697,571 1,572 1,577 87.451,578 1.65,579 3.794,580 4.742,581 4.959,582 5.072,583 5.223,584 3.112,585 4.418,586 4.825,587 3.804,588 1544.44,589 8.388,590 21448.3,592 1,594 1,595 303.58,596 1.314,597 4.8,598 0.188,599 0.006,600 0.056,601 0.047,602 0.032,603 0.016,604 0.021,605 0.01,606 0.011,607 0.005,608 0.391,609 0.17,610 1,611 1.176,612 149.357,613 -0.103,614 -0.207,615 0.021,616 -0.024,617 -0.033,618 0.021,619 0.289,620 0.031,621 0.051,622 -0.066,623 0.223,624 -0.062,625 -0.122,626 -0.073,627 0.035,628 0.062,629 -0.057,630 0.073,631 -0.021,632 -0.058,633 0.087,634 0.03,635 -0.015,636 0.05,637 -0.234,638 0.074,639 -0.03,640 0.135,641 -0.243,642 0.063,643 -0.15,644 0.036,645 -0.044,646 0.05,647 -0.177,648 -0.015,649 0.094,650 0.1,651 -0.163,652 -0.132,653 0.013,654 -0.159,655 -0.068,656 -0.133,657 -0.079,658 -0.085,659 -0.057,660 -0.039,661 1.764,662 4.685,663 0.724,664 31.553,665 1.006,666 1.139,667 2.569,668 6.598,669 0.664,670 3.497,671 3.807,672 4.06,673 4.357,674 4.554,675 4.635,676 4.779,677 4.92,678 4.956,679 5.043,680 7.391,681 0.631,682 413.96,683 3.497,684 5.03,685 5.872,686 6.749,687 7.608,688 8.492,689 9.361,690 10.249,691 11.123,692 12.013,693 13.2,698 1,700 2,701 1,703 3,708 2,709 5,710 3,711 1,714 4,716 16,728 1,734 1,735 53,737 17,739 32,741 56,742 20,743 11,748 4,749 5,750 1,753 1,754 1,757 6,760 6,762 12,763 8,767 1,772 1,776 1,780 1,783 24,784 7,785 4,786 9,787 1,792 7,797 0.75,798 1,809 1,810 1,811 1,815 1,816 3,819 1,843 3,847 1,848 1,851 29,858 5,860 3,863 2,873 1,874 1.9,877 1,881 14.5,882 9.493,883 6.417,884 3.429,886 3.265,887 1.419,888 0.99,889 6.285,890 11.051,891 3.738,892 4.314,893 4.882,894 5.507,895 6.016,896 6.367,897 6.813,898 7.266,899 7.474,900 7.849,901 0.889,902 43,903 10.712,905 4.55,906 7.705,907 20.612,909 17.068,911 2.205,912 63.944,915 1,916 235.422,917 87.07,918 121.174,919 39.149,920 25.145,923 87.07,924 299.716,925 121.174,926 8.825,927 48.265,928 37.476,929 106.999,930 34.348,931 60.166,932 211.88,934 235.422,935 208.244,936 25.145,937 39.149,939 105.94,940 154.627,943 89.295,944 50.582,945 68.367,946 39.149,947 235.422,948 146.319,949 126.219,952 235.422,953 31.721,954 55.349,955 70.818,956 114.65,957 235.422,958 146.319,959 126.219,961 0.572,962 0.326,963 0.186,964 0.098,965 21,966 9,967 0.089,968 5,969 1,970 1.095,971 4.153,972 250.831,973 0.095,974 21,975 136.881,981 20.081,982 9.077,983 4.863,984 1.801,985 129.534,986 9.294,987 13.348,988 3.162,991 2.599,993 70.818,994 507.96,995 41,1000 11.685,1004 -0.097,1007 53.316,1008 60.378,1009 0.288,1010 0.662,1011 0.828,1012 0.866,1013 0.886,1014 0.912,1015 4.97,1016 1.547,1017 5.844,1018 5.028,1019 4.489,1020 5.001,1021 1.812,1022 6.629,1023 4.381,1024 6.155,1025 1.434,1026 7.378,1027 4.23,1028 4.007,1029 4.783,1030 1.195,1031 7.445,1032 3.838,1033 7.449,1034 1.031,1035 9.01,1036 3.444,1037 6.052,1038 7.182,1039 2.419,1040 10.553,1041 5.857,1042 8.777,1043 1.022,1044 10.699,1045 2.559,1046 6.382,1047 7.838,1048 2.324,1049 12.234,1050 6.15,1051 10.14,1052 1,1053 12.427,1054 2.275,1055 7.887,1056 9.718,1057 3.244,1058 14.855,1059 7.626,1060 11.529,1061 0.489,1062 14.184,1063 1.716,1064 8.616,1065 10.812,1066 3.407,1067 16.93,1068 8.331,1069 12.938,1070 0.241,1071 15.963,1072 1.179,1073 9.891,1074 12.472,1075 4.156,1076 19.388,1077 9.578,1078 3.167,1079 -0.241,1080 17.761,1081 0.589,1082 10.822,1083 13.783,1084 4.464,1085 21.639,1086 10.49,1087 2.787,1088 10.928,1089 19.574,1090 -0.592,1091 12.001,1092 15.349,1093 5.111,1094 24.045,1095 11.644,1096 2.653,1097 8.381,1098 21.401,1099 4.535,1100 13.033,1101 16.762,1102 5.504,1103 26.373,1104 12.659,1105 2.396,1106 7.64,1107 23.239,1108 3.816,1109 14.176,1110 18.289,1111 6.091,1112 28.764,1113 13.78,1114 2.154,1115 7.131,1116 25.086,1117 2.962,1118 15.259,1119 19.751,1120 6.531,1121 31.127,1122 14.845,1123 2.017,1124 6.294,1125 26.942,1126 2.905,1127 16.392,1128 21.263,1129 7.083,1130 33.515,1131 15.957,1132 1.777,1133 5.429,1134 28.805,1135 2.657,1136 17.501,1137 22.748,1138 7.551,1139 35.892,1140 17.048,1141 11127,1142 18559,1143 21.671,1144 35.205,1145 47.726,1146 48.389,1147 48.763,1148 47.616,1149 47.426,1150 60.546,1151 4.606,1152 133.644,1153 44.723,1154 5.6,1155 5.545,1156 6.486,1157 5.216,1158 5.167,1159 7.535,1160 2.912,1161 18.109,1162 5.088,1163 12.685,1164 1.491,1165 1.512,1166 1.524,1167 1.488,1168 1.482,1169 1.892,1170 0.144,1171 4.176,1172 1.398,1173 4.125,1174 4.166,1175 4.113,1176 4.015,1177 7.431,1178 4.029,1179 3.914,1180 3.975,1181 3.918,1182 3.772,1183 5.139,1184 3.771,1185 3.761,1186 3.812,1187 3.768,1188 3.609,1189 5.006,1190 3.625,1191 3.615,1192 3.689,1193 3.512,1194 3.377,1195 4.515,1196 3.39,1197 3.373,1198 3.441,1199 3.35,1200 3.22,1201 4.372,1202 3.224,1203 3.315,1204 3.39,1205 3.242,1206 3.098,1207 4.304,1208 3.105,1209 3.111,1210 3.206,1211 3.104,1212 2.941,1213 4.191,1214 2.91,1215 3.083,1216 3.152,1217 2.921,1218 2.822,1219 3.973,1220 2.85,1221 0.144,1222 0.111,1223 0.21,1224 0.129,1225 0.099,1226 4.6,1227 0.142,1228 3.545,1229 0.052,1230 6.714,1231 0.341,1232 4.141,1233 0.097,1234 3.167,1235 4.535,1236 1.656,1237 10.928,1238 3.088,1239 1.911,1240 1.88,1241 2.084,1242 2.063,1243 1.476,1244 2.069,1245 1.872,1246 1.821,1247 1.967,1248 2.004,1249 1.082,1250 1.996,1251 1.722,1252 1.678,1253 1.846,1254 1.912,1255 0.991,1256 1.886,1257 1.56,1258 1.48,1259 1.789,1260 1.822,1261 0.843,1262 1.827,1263 1.389,1264 1.324,1265 1.548,1266 1.629,1267 0.825,1268 1.615,1269 1.264,1270 1.192,1271 1.513,1272 1.527,1273 0.78,1274 1.523,1275 1.153,1276 1.064,1277 1.472,1278 1.376,1279 0.496,1280 1.429,1281 1.02,1282 0.965,1283 1.255,1284 1.303,1285 0.275,1286 1.3,1287 4.174,1289 5.485,1290 2.398,1291 6.984,1292 4.727,1293 8.572,1294 6.843,1295 10.207,1297 1.909,1298 6.275,1303 4.314,1305 9.204,1308 0.451,1314 33.433,1315 87.451,1316 201.102,1317 251.315,1318 262.825,1319 268.825,1320 276.825,1321 46.762,1322 7.786,1323 107.62,1324 107.62,1325 23,1326 12.545,1327 4.17,1328 3.322,1329 44.943,1330 127,1331 152,1332 0.17,1333 209.514,1334 352.3,1335 502.973,1336 27703,1337 1.9,1338 20.217,1339 0.697,1340 0.585,1341 20.717,1342 16.961,1343 14.119,1344 0.441,1345 0.321,1346 9.796,1347 13.291,1348 9.596,1349 7.946,1350 14.407,1351 10.278,1352 12.64,1353 0.287,1354 0.172,1355 13.048,1356 7.585,1357 10.221,1358 0.179,1359 0.094,1360 10.457,1361 5.349,1362 9.063,1363 0.118,1364 0.051,1365 9.381,1366 3.933,1367 6.993,1368 0.074,1369 0.029,1370 7.225,1371 2.705,1372 0.272,1373 91.459,1374 0.215,1375 27.915,1376 0.451,1377 152,1378 430.206,1379 184.149,1380 449.041,1381 610.18,1382 420,1383 177,1384 435.203,1385 201.409,1386 447.257,1387 656.39,1388 423,1389 7.3}
{0 CHEMBL1992231,1 1.819,2 10.292,3 3.898,4 15.193,5 86.393,6 9.037,7 0.692,8 3.729,9 3.836,10 3.433,11 3.241,12 5.07,13 3.281,14 4.149,15 4.281,16 3.779,17 3.568,18 5.638,19 3.59,20 4.363,21 4.543,22 3.768,23 3.622,24 5.674,25 3.634,26 4.359,27 4.556,28 3.689,29 3.512,30 5.721,31 3.521,32 4.305,33 4.513,34 3.62,35 3.444,36 5.64,37 3.468,38 4.17,39 4.356,40 3.59,41 3.393,42 5.606,43 3.413,44 4.09,45 4.286,46 3.47,47 3.292,48 5.483,49 3.302,50 3.995,51 4.205,52 3.269,53 3.13,54 5.396,55 3.12,56 0.169,57 0.643,58 4.744,59 2.679,60 16.687,61 2.673,62 0.373,63 0.968,64 7.836,65 4.402,66 39.064,67 4.729,68 0.451,69 1.111,70 12.998,71 5.231,72 49.675,73 5.806,74 0.575,75 1.001,76 14.33,77 5.116,78 54.987,79 5.886,80 0.583,81 0.904,82 14.898,83 4.276,84 67.534,85 4.912,86 0.5,87 0.857,88 11.328,89 3.825,90 56.777,91 4.433,92 0.4,93 0.821,94 10.143,95 3.535,96 35.352,97 4.219,98 0.453,99 0.678,100 10.764,101 3.567,102 44.765,103 4.329,104 11,105 35,106 0.326,107 0.601,108 0.723,109 0.832,110 0.876,111 0.886,112 3.228,113 0.799,114 -4.84,115 -4.75,116 -4.46,119 44.4,142 8,143 1,144 3,148 1,150 2,158 1,167 1,170 1,172 6,173 1,174 3,175 1,178 5,180 5,183 6,184 1,188 1,193 5,194 1,196 4,197 2,200 10,203 3,204 2,205 3,209 1,213 9,214 2,218 1,224 2,225 6,228 2,230 4,238 4,239 1,243 4,244 1,249 1,250 1,253 2,254 1,255 1,258 4,272 8,273 2,276 818,277 16.154,278 16.154,279 16.154,280 16.154,281 16.154,282 13.759,283 22.879,284 9.712,285 16.541,286 12.861,287 12.861,288 12.861,289 12.861,290 12.861,291 9.377,292 40.689,293 4.65,294 13.536,295 3.351,296 1.813,297 1.132,298 0.521,299 0.278,300 0.222,301 3.911,304 1,305 1,306 1,307 524,308 2.828,312 240.134,319 1.708,320 32.294,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 54,332 247,333 4.338,334 3.608,335 6.417,336 3.967,337 2.986,338 3.951,339 1.437,340 9.816,341 2.93,342 4.115,343 2.978,344 5.693,345 3.683,346 2.749,347 3.713,348 0.4,349 8.021,350 2.577,351 3.948,352 2.88,353 5.395,354 3.47,355 2.531,356 3.55,357 0.4,358 7.096,359 2.354,360 3.5,361 2.688,362 5.063,363 3.115,364 2.188,365 2.783,367 6.102,368 2.019,369 3.351,370 2.369,371 4.838,372 2.915,373 1.95,374 2.597,376 5.405,377 1.864,378 3.185,379 1.984,380 4.654,381 2.716,382 1.769,383 2.436,385 4.789,386 1.66,387 2.861,388 1.468,389 3.724,390 2.39,391 1.414,392 2.015,394 3.133,395 1.377,396 2.655,397 1.31,398 3.492,399 2.085,400 1.179,401 1.728,403 2.609,404 1.067,405 2.532,406 1.202,407 3.466,408 2.005,409 1,410 1.5,412 2.304,413 1,414 2.5,415 1,416 3.414,417 2,418 1,419 1.475,421 2.275,422 0.994,423 1.46,424 0.613,425 2.951,426 1.106,427 0.196,428 0.237,430 0.477,431 0.176,432 1.371,433 0.472,434 2.83,435 1.008,436 0.068,437 0.085,439 0.177,440 0.064,441 0.93,442 0.22,443 2,444 0.49,445 -0.41,446 -0.514,448 -0.971,449 -0.36,450 0.79,451 -0.044,452 2,453 0.343,454 -0.612,455 -0.787,457 -1.553,458 -0.573,459 0.619,460 -0.467,461 2,462 0.128,463 -0.861,464 -1.178,466 -2,467 -0.839,468 10.952,469 0.456,470 0.558,471 0.023,472 36.75,473 1.531,474 20.5,475 0.854,476 16.25,477 0.677,478 13.351,479 0.556,480 25.048,481 0.696,482 26.543,483 1.106,484 7.625,485 0.318,486 3.989,487 0.166,488 0.087,490 0.32,494 1,496 0.798,497 1.145,498 0.661,499 0.942,500 0.688,501 0.793,502 0.493,503 0.893,504 0.739,505 1.047,506 0.478,507 1.009,508 1.022,509 1.255,510 1.007,511 1.136,512 0.905,513 1.071,514 0.968,515 0.979,516 1.052,517 1.049,518 0.946,519 1.069,520 1.113,521 0.776,522 1.011,523 0.716,524 1.017,525 0.775,526 0.874,527 0.974,528 0.974,529 0.854,530 0.816,531 0.909,532 0.807,533 0.946,534 1.005,535 1.066,536 0.668,537 1.071,538 0.863,539 0.864,540 1.028,541 0.884,542 0.884,543 0.976,544 5,545 0.091,546 2,547 1.5,548 1.067,549 0.542,550 0.424,551 0.295,552 0.217,553 0.116,554 6524,555 24092,556 2.064,557 33.3,559 8,561 1,562 3,567 1.667,568 1.946,569 3.343,570 1.08,572 1,574 1,577 65.488,578 1.819,579 3.356,580 4.038,581 4.649,582 4.892,583 4.948,584 2.772,585 3.97,586 4.558,587 3.51,588 968.877,589 7.857,590 11604.5,592 1,593 1,594 1,595 186.117,596 1.347,597 4.522,598 0.192,599 0.006,600 0.057,601 0.044,602 0.036,603 0.019,604 0.015,605 0.012,606 0.011,607 0.007,608 0.4,609 0.17,610 1,611 0.757,612 115.061,613 -0.145,614 -0.151,615 -0.013,616 0.005,617 -0.126,618 0.038,619 0.222,620 0.12,621 -0.016,622 -0.114,623 0.156,624 -0.16,625 -0.172,626 -0.25,627 -0.104,628 -0.18,629 -0.097,630 -0.127,631 -0.038,632 -0.059,633 -0.073,634 -0.121,635 -0.063,636 -0.117,637 -0.21,638 0.018,639 -0.002,640 0.179,641 -0.153,642 0.178,643 -0.001,644 -0.048,645 -0.051,646 0.046,647 -0.01,648 -0.002,649 0.004,650 -0.01,651 -0.078,652 -0.16,653 0.044,654 -0.142,655 0.09,656 0.015,657 0.013,658 0.062,659 0.042,660 0.022,661 2.725,662 4.908,663 0.75,664 20.417,665 1.034,666 1.136,667 3.612,668 13.048,669 0.692,670 3.296,671 3.584,672 3.784,673 4.007,674 4.205,675 4.143,676 4.205,677 4.304,678 4.357,679 4.407,680 6.19,681 0.695,682 325.33,683 3.296,684 4.812,685 5.631,686 6.485,687 7.319,688 8.175,689 9.015,690 9.871,691 10.713,692 11.57,693 13.9,701 2,703 3,707 1,709 9,710 3,714 6,716 18,725 1,728 2,734 1,735 36,737 19,738 2,739 26,741 38,742 16,743 15,744 4,745 8,746 1,748 3,749 3,762 16,767 1,772 1,776 1,780 1,781 1,783 12,784 8,785 3,786 8,792 5,797 1,798 2,816 3,841 1,843 3,849 1,851 24,857 1,860 2,873 1,874 5.6,876 1,877 1,881 12.333,882 6.36,883 5.306,884 1.891,886 3.461,887 1.498,888 0.974,889 4.637,890 10.415,891 3.611,892 4.197,893 4.712,894 5.249,895 5.768,896 5.806,897 6.122,898 6.526,899 6.87,900 7.213,901 0.857,902 34,903 8.798,905 3.747,906 8.194,907 15.923,909 12.434,911 2.694,912 64.667,916 105.94,917 106.957,918 86.378,920 67.828,921 14.96,923 106.957,924 173.768,925 101.338,928 75.81,929 130.866,930 62.46,931 18.758,932 94.169,934 105.94,935 193.335,936 82.788,939 120.9,940 67.828,943 48.438,944 94.54,945 50.357,947 120.9,948 154.206,949 106.957,952 105.94,953 22.528,954 84.429,955 36.022,956 133.145,957 105.94,958 169.166,959 106.957,961 0.575,962 0.322,963 0.172,964 0.096,965 16,966 7,967 0.132,968 5,970 1,971 3.667,972 186.514,974 18,975 106.039,981 15.841,982 7.025,983 4.044,985 169.166,986 13.418,987 12.093,991 1.161,993 78.705,994 382.063,995 36,1000 11.211,1004 -1.059,1007 37.211,1008 40.911,1009 0.352,1010 0.649,1011 0.781,1012 0.899,1013 0.946,1014 0.957,1015 4.808,1016 1.179,1017 5.595,1018 3.133,1019 4.263,1020 4.883,1021 1.752,1022 6.337,1023 4.164,1024 6.008,1025 1,1026 7.109,1027 2.609,1028 3.761,1029 4.543,1031 7.086,1032 3.598,1033 7.294,1034 1,1035 8.719,1036 2.304,1037 5.79,1038 7.027,1039 2.264,1040 10.14,1041 5.602,1042 8.611,1043 0.196,1044 10.385,1045 2.275,1046 6.066,1047 7.44,1049 11.718,1050 5.827,1051 9.954,1052 0.068,1053 12.087,1054 0.477,1055 7.572,1056 9.41,1057 2.923,1058 14.275,1059 7.311,1060 11.316,1061 -0.41,1062 13.817,1063 0.177,1064 8.23,1065 10.205,1067 16.227,1068 7.935,1069 12.694,1070 -0.612,1071 15.566,1072 -0.971,1073 9.499,1074 11.919,1075 3.619,1076 18.601,1077 9.183,1078 2.986,1079 -0.861,1080 17.331,1081 -1.553,1082 10.357,1083 12.932,1085 20.728,1086 10.017,1087 2.749,1088 9.816,1089 19.11,1090 -2,1091 11.514,1092 14.5,1093 4.33,1094 23.034,1095 11.155,1096 2.531,1097 8.021,1098 20.9,1099 3.951,1100 12.476,1101 15.643,1103 25.242,1104 12.099,1105 2.188,1106 7.096,1107 22.699,1108 3.713,1109 13.583,1110 17.124,1111 5.047,1112 27.526,1113 13.189,1114 1.95,1115 6.102,1116 24.506,1117 3.55,1118 14.598,1119 18.347,1121 29.772,1122 14.19,1123 1.769,1124 5.405,1125 26.32,1126 2.783,1127 15.683,1128 19.777,1129 5.769,1130 32.05,1131 15.261,1132 1.414,1133 4.789,1134 28.14,1135 2.597,1136 16.728,1137 21.05,1139 34.313,1140 16.292,1141 6355,1142 12339,1143 17.394,1144 24.921,1145 38.429,1146 39.261,1147 39.258,1148 38.119,1149 38.061,1150 52.144,1151 4.473,1152 104.41,1153 36.164,1154 5.138,1155 5.608,1156 6.099,1157 5.067,1158 4.986,1159 6.951,1160 2.873,1161 16.379,1162 4.93,1163 11.025,1164 1.478,1165 1.51,1166 1.51,1167 1.466,1168 1.464,1169 2.006,1170 0.172,1171 4.016,1172 1.391,1173 3.975,1174 4.016,1175 3.934,1176 3.87,1177 8.201,1178 3.877,1179 3.901,1180 3.93,1181 3.851,1182 3.819,1183 7.475,1184 3.822,1185 3.728,1186 3.786,1187 3.697,1188 3.494,1189 6.351,1190 3.543,1191 3.279,1192 3.268,1193 3.226,1194 3.024,1195 5.111,1196 3.066,1197 3.117,1198 3.196,1199 3.058,1200 2.878,1201 4.707,1202 2.91,1203 2.974,1204 3.052,1205 2.886,1206 2.772,1207 4.649,1208 2.786,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 4.111,1214 2.715,1215 2.709,1216 2.779,1217 2.563,1218 2.476,1219 4.02,1220 2.501,1221 0.167,1222 0.139,1223 0.247,1224 0.153,1225 0.115,1226 4.338,1227 0.152,1228 3.608,1229 0.055,1230 6.417,1231 0.378,1232 3.967,1233 0.113,1234 2.986,1235 3.951,1236 1.437,1237 9.816,1238 2.93,1239 1.911,1240 1.885,1241 2.006,1242 2.044,1243 1.089,1244 2.026,1245 1.879,1246 1.851,1247 1.981,1248 1.986,1249 1.048,1250 1.986,1251 1.609,1252 1.544,1253 1.674,1254 1.848,1255 0.537,1256 1.811,1257 1.123,1258 1.122,1259 1.256,1260 1.429,1261 0.244,1262 1.361,1263 1.012,1264 0.945,1265 1.204,1266 1.299,1267 0.226,1268 1.27,1269 0.906,1270 0.841,1271 1.181,1272 1.165,1273 0.218,1274 1.153,1275 0.886,1276 0.821,1277 1.111,1278 1.062,1279 0.12,1280 1.107,1281 0.652,1282 0.587,1283 0.926,1284 0.936,1286 0.956,1287 3.97,1289 5.263,1291 6.746,1293 8.314,1295 9.922,1299 12.908,1302 9.179,1305 5.756,1314 25.027,1315 65.488,1316 120.833,1317 145.362,1318 167.362,1319 176.117,1320 178.117,1321 41.563,1322 6.955,1323 100.03,1324 100.03,1325 18,1326 12.126,1327 4.322,1328 3.459,1329 39.333,1330 89,1331 92,1332 0.215,1333 155.956,1334 267.83,1335 372.292,1336 9740,1337 2.8,1338 16.941,1339 0.706,1340 0.511,1341 16.071,1342 12.271,1343 11.614,1344 0.447,1345 0.266,1346 6.791,1347 11.035,1348 6.712,1349 5.576,1350 11.22,1351 6.926,1352 10.448,1353 0.299,1354 0.135,1355 9.827,1356 4.74,1357 8.154,1358 0.19,1359 0.072,1360 7.743,1361 3.076,1362 6.701,1363 0.124,1364 0.037,1365 6.56,1366 1.978,1367 5.445,1368 0.082,1369 0.019,1370 5.154,1371 1.267,1372 0.34,1373 73.839,1374 0.24,1375 23.605,1376 0.583,1377 122,1378 483.597,1379 140.25,1380 442.775,1381 587.32,1382 410,1383 139,1384 423.254,1385 154.724,1386 421.159,1387 609.24,1388 395,1389 5.5}
{0 CHEMBL1992242,1 1.533,2 11.37,3 5.226,4 27.309,5 111.923,6 8.12,7 0.733,8 3.925,9 4.033,10 3.626,11 3.589,12 5.058,13 3.54,14 4.397,15 4.544,16 3.975,17 3.981,18 5.516,19 3.903,20 4.606,21 4.773,22 3.94,23 4.077,24 5.66,25 3.974,26 4.703,27 4.925,28 3.913,29 4.028,30 5.732,31 3.916,32 4.629,33 4.832,34 3.772,35 3.921,36 5.742,37 3.808,38 4.596,39 4.859,40 3.661,41 3.79,42 5.594,43 3.652,44 4.3,45 4.509,46 3.4,47 3.573,48 5.39,49 3.465,50 4.157,51 4.38,52 3.402,53 3.503,54 5.154,55 3.406,56 0.042,57 0.638,58 8.779,59 3.936,60 6.009,61 4.966,62 0.177,63 1.008,64 15.26,65 6.988,66 17.257,67 8.976,68 0.131,69 1.236,70 20.836,71 8.792,72 21.372,73 10.812,74 0.125,75 1.343,76 25.025,77 10.191,78 26.596,79 13.242,80 0.237,81 1.271,82 22.7,83 8.515,84 39.405,85 10.244,86 0.195,87 1.199,88 26.69,89 9.842,90 36.252,91 12.428,92 0.256,93 0.912,94 18.232,95 6.247,96 39.626,97 7.035,98 0.11,99 0.78,100 14.08,101 5.634,102 13.875,103 7.618,104 10,105 42,106 0.258,107 0.569,108 0.684,109 0.791,110 0.809,111 0.816,112 3.339,113 0.946,114 -4.96,115 -4.86,116 -4.56,119 47.8,120 2,142 10,143 5,144 2,145 1,152 1,159 1,172 15,175 1,178 2,179 1,180 4,183 20,188 2,193 4,196 15,200 7,205 8,208 10,213 6,218 5,221 4,225 6,230 6,233 6,238 1,243 2,246 8,250 2,253 1,255 3,258 12,264 1,269 1,272 10,276 1072,277 18.256,278 18.256,279 18.256,280 18.256,281 18.256,282 15.483,283 16.574,284 10.78,285 18.498,286 14.858,287 14.858,288 14.858,289 14.858,290 14.858,291 10.713,292 26.577,293 5.158,294 15.233,295 3.991,296 2.147,297 1.467,298 0.832,299 0.728,300 0.685,301 4.037,305 1,306 1,307 675,308 3,311 63.841,312 265.377,315 119.628,319 1.959,320 15.267,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 56.5,332 307,333 4.575,334 3.564,335 6.693,336 4.118,337 3.136,338 4.51,339 1.656,340 10.84,341 3.082,342 4.181,343 3.135,344 5.784,345 3.79,346 2.808,347 3.819,348 0.247,349 8.112,350 2.759,351 4.051,352 2.881,353 5.715,354 3.618,355 2.644,356 3.675,358 7.88,359 2.565,360 3.759,361 2.624,362 5.44,363 3.38,364 2.411,365 3.115,367 7.209,368 2.321,369 3.495,370 2.313,371 5.01,372 3.101,373 2.126,374 2.786,376 6.011,377 2.061,378 3.232,379 2.147,380 4.636,381 2.879,382 1.879,383 2.481,385 4.963,386 1.879,387 3.154,388 2.132,389 4.618,390 2.722,391 1.728,392 2.366,394 4.796,395 1.707,396 3.048,397 1.552,398 4.477,399 2.536,400 1.548,401 2.321,403 4.321,404 1.529,405 2.943,406 1.528,407 4.009,408 2.432,409 1.461,410 2.125,412 3.537,413 1.403,414 2.5,415 1,416 3.414,417 2,418 1,419 1.5,421 2.275,422 1,423 2.5,424 1,425 3.405,426 1.97,427 1,428 1.5,430 2.231,431 0.968,432 1.988,433 0.695,434 3.175,435 1.466,436 0.524,437 0.754,439 1.329,440 0.485,441 1.338,442 0.503,443 2.964,444 1.013,445 0.065,446 0.078,448 0.178,449 0.061,450 1.188,451 0.256,452 2.553,453 0.772,454 -0.23,455 -0.306,457 -0.599,458 -0.227,459 1,460 -0.11,461 2.382,462 0.653,463 -0.347,464 -0.445,466 -0.891,467 -0.347,468 13.367,469 0.495,470 0.677,471 0.025,472 39,473 1.444,474 22.5,475 0.833,476 16.5,477 0.611,478 19.495,479 0.722,480 26.833,481 0.583,482 27.011,483 1,484 7.654,485 0.283,486 5.427,487 0.201,488 0.1,490 0.337,496 0.727,497 1.054,498 0.714,499 0.859,500 0.628,501 0.812,502 0.422,503 0.896,504 0.714,505 0.815,506 0.466,507 0.846,508 1.08,509 1.124,510 1.085,511 1.092,512 1.039,513 1.119,514 0.832,515 1.099,516 0.793,517 0.957,518 0.705,519 0.96,520 1.775,521 1.068,522 1.124,523 1.012,524 1.781,525 1.119,526 1.133,527 0.911,528 0.853,529 0.855,530 1.169,531 0.802,532 2.339,533 0.888,534 1.293,535 0.892,536 2.527,537 0.975,538 0.664,539 0.934,540 0.645,541 0.85,542 0.655,543 0.879,544 6,545 0.122,546 2.444,547 2.125,548 1.119,549 0.785,550 0.43,551 0.28,552 0.244,553 0.162,554 10105,555 26058,556 2.12,557 41.3,558 6,559 10,561 1,562 2,567 1.694,568 2,569 3.456,570 0.194,577 70.511,578 1.533,579 3.376,580 4.057,581 4.692,582 4.795,583 4.839,584 2.852,585 4.208,586 4.73,587 3.698,588 1298.01,589 8.173,590 17399.9,595 254.084,596 1.352,597 4.694,598 0.2,599 0.007,600 0.058,601 0.053,602 0.029,603 0.025,604 0.015,605 0.013,606 0.011,607 0.008,608 0.419,609 0.33,610 1,611 0.528,612 136.17,613 -0.008,614 -0.025,615 0.073,616 0.022,617 -0.087,618 0.047,619 0.326,620 0.102,621 0.114,622 0.092,623 0.165,624 0.062,625 -0.158,626 -0.131,627 -0.204,628 -0.166,629 -0.16,630 -0.2,631 0.064,632 -0.144,633 0.096,634 -0.031,635 0.161,636 0.024,637 -0.299,638 -0.043,639 -0.222,640 -0.118,641 -0.23,642 -0.209,643 0.037,644 0.042,645 0.202,646 0.158,647 0.105,648 0.235,649 -0.505,650 0.159,651 -0.284,652 0.052,653 -0.475,654 -0.063,655 0.177,656 0.013,657 0.17,658 0.037,659 0.124,660 0.1,661 1.92,662 5.27,663 0.778,664 25.915,665 0.995,666 1.108,667 3.727,668 13.887,669 0.722,670 3.434,671 3.761,672 4.007,673 4.304,674 4.443,675 4.5,676 4.554,677 4.691,678 4.644,679 4.762,680 7.127,681 0.678,682 373.51,683 3.434,684 4.977,685 5.82,686 6.701,687 7.555,688 8.439,689 9.298,690 10.183,691 11.045,692 11.93,693 6.5,700 2,703 1,708 2,709 11,710 1,713 1,714 6,716 22,735 46,737 23,738 3,739 30,741 49,742 22,743 19,744 8,745 10,748 4,749 5,753 1,754 2,762 20,763 2,767 1,772 1,776 1,783 19,784 4,785 2,786 5,787 1,790 1,792 3,797 0.75,798 1,815 1,816 3,819 1,843 3,845 1,847 2,851 27,860 2,874 2.2,877 1,881 13.5,882 8.95,883 5.833,884 2.649,886 4.101,887 1.544,888 1.031,889 4.909,890 11.639,891 3.761,892 4.41,893 5.005,894 5.648,895 6.139,896 6.426,897 6.802,898 7.247,899 7.402,900 7.815,901 1,902 40,903 9.939,905 4.195,906 7.642,907 19.123,909 15.675,911 2.142,912 57.833,916 200.109,917 178.363,918 50.998,920 25.145,922 31.052,923 147.311,924 225.254,925 50.998,926 17.65,927 36.022,928 94.762,929 51.892,930 29.876,931 5.022,932 219.39,934 200.109,935 198.308,936 25.145,937 31.052,939 200.109,940 25.145,943 62.719,944 120.613,945 14.976,946 31.052,947 200.109,948 76.142,949 178.363,952 200.109,953 56.902,954 121.46,955 36.022,956 40.121,957 200.109,958 76.142,959 178.363,961 0.582,962 0.332,963 0.19,964 0.094,965 21,966 9,967 0.061,968 3,969 1,970 1.095,971 4,972 227.049,973 0.095,974 21,975 118.382,977 1,981 17.687,982 7.493,983 4.011,984 2.318,985 76.142,986 21.928,987 4.273,990 1.495,991 6.015,993 36.022,994 454.614,995 42,1000 12.27,1004 -0.253,1007 45.778,1008 50.946,1009 0.278,1010 0.611,1011 0.734,1012 0.849,1013 0.868,1014 0.876,1015 4.98,1016 1.548,1017 5.802,1018 4.796,1019 4.443,1020 5.097,1021 1.758,1022 6.592,1023 4.397,1024 6.205,1025 1.461,1026 7.341,1027 4.321,1028 4.007,1029 4.902,1030 1.195,1031 7.413,1032 3.948,1033 7.514,1034 1,1035 8.976,1036 3.537,1037 6.014,1038 7.344,1039 2.415,1040 10.514,1041 5.924,1042 8.858,1043 1,1044 10.666,1045 2.275,1046 6.365,1047 7.965,1048 2.324,1049 12.189,1050 6.257,1051 10.23,1052 0.524,1053 12.395,1054 2.231,1055 7.849,1056 9.875,1057 3.244,1058 14.807,1059 7.721,1060 11.624,1061 0.065,1062 14.152,1063 1.329,1064 8.585,1065 10.915,1066 3.407,1067 16.871,1068 8.437,1069 13.035,1070 -0.23,1071 15.93,1072 0.178,1073 9.847,1074 12.589,1075 4.156,1076 19.324,1077 9.684,1078 3.136,1079 -0.347,1080 17.727,1081 -0.599,1082 10.776,1083 13.849,1084 4.464,1085 21.565,1086 10.594,1087 2.808,1088 10.84,1089 19.539,1090 -0.891,1091 11.945,1092 15.416,1093 5.111,1094 23.964,1095 11.749,1096 2.644,1097 8.112,1098 21.364,1099 4.51,1100 12.97,1101 16.791,1102 5.504,1103 26.283,1104 12.756,1105 2.411,1106 7.88,1107 23.2,1108 3.819,1109 14.102,1110 18.312,1111 6.091,1112 28.667,1113 13.875,1114 2.126,1115 7.209,1116 25.045,1117 3.675,1118 15.175,1119 19.746,1120 6.531,1121 31.02,1122 14.931,1123 1.879,1124 6.011,1125 26.898,1126 3.115,1127 16.297,1128 21.248,1129 7.083,1130 33.401,1131 16.038,1132 1.728,1133 4.963,1134 28.758,1135 2.786,1136 17.395,1137 22.713,1138 7.551,1139 35.77,1140 17.12,1141 9456,1142 15356,1143 20.285,1144 33.211,1145 45.253,1146 45.656,1147 45.882,1148 44.572,1149 44.666,1150 62.062,1151 3.806,1152 127.366,1153 43.642,1154 5.443,1155 5.564,1156 6.248,1157 5.167,1158 5.136,1159 7.51,1160 2.912,1161 17.999,1162 5.082,1163 11.823,1164 1.508,1165 1.522,1166 1.529,1167 1.486,1168 1.489,1169 2.069,1170 0.127,1171 4.246,1172 1.455,1173 4.098,1174 4.113,1175 4.305,1176 4.087,1177 7.431,1178 4.057,1179 3.954,1180 3.985,1181 3.91,1182 3.888,1183 4.972,1184 3.884,1185 3.836,1186 3.864,1187 3.836,1188 3.783,1189 4.753,1190 3.766,1191 3.444,1192 3.489,1193 3.467,1194 3.24,1195 4.701,1196 3.234,1197 3.284,1198 3.35,1199 3.329,1200 3.153,1201 4.322,1202 3.158,1203 3.266,1204 3.331,1205 3.067,1206 3.125,1207 4.043,1208 3.101,1209 3.052,1210 3.123,1211 2.961,1212 2.936,1213 3.966,1214 2.923,1215 2.895,1216 2.937,1217 2.822,1218 2.752,1219 3.838,1220 2.747,1221 0.153,1222 0.119,1223 0.223,1224 0.137,1225 0.105,1226 4.575,1227 0.15,1228 3.564,1229 0.055,1230 6.693,1231 0.361,1232 4.118,1233 0.103,1234 3.136,1235 4.51,1236 1.656,1237 10.84,1238 3.082,1239 2.01,1240 1.994,1241 2.082,1242 2.067,1243 1.242,1244 2.075,1245 1.937,1246 1.909,1247 2.055,1248 2.024,1249 1.183,1250 2.036,1251 1.778,1252 1.754,1253 1.877,1254 1.865,1255 0.99,1256 1.875,1257 1.313,1258 1.268,1259 1.639,1260 1.596,1261 0.719,1262 1.564,1263 1.303,1264 1.226,1265 1.494,1266 1.507,1267 0.526,1268 1.557,1269 1.232,1270 1.192,1271 1.356,1272 1.388,1273 0.413,1274 1.408,1275 1.022,1276 0.967,1277 1.273,1278 1.255,1279 0.307,1280 1.278,1281 0.939,1282 0.909,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.111,1289 5.434,1290 2.398,1291 6.94,1292 4.595,1293 8.536,1294 6.605,1295 10.177,1297 4.025,1305 5.762,1314 31.181,1315 70.511,1316 155.301,1317 186.6,1318 215.819,1319 220.574,1320 222.574,1321 35.316,1322 7.538,1323 54.02,1324 82.26,1325 23,1326 12.467,1327 4.585,1328 3.7,1329 40.541,1330 118,1331 89,1332 0.167,1333 195.537,1334 327.38,1335 468.87,1336 20895,1338 18.803,1339 0.696,1340 0.59,1341 19.156,1342 15.931,1343 13.081,1344 0.436,1345 0.315,1346 8.69,1347 12.335,1348 8.31,1349 6.972,1350 13.535,1351 9.459,1352 12.09,1353 0.288,1354 0.176,1355 12.674,1356 7.409,1357 9.625,1358 0.178,1359 0.094,1360 10.268,1361 5.096,1362 8.795,1363 0.12,1364 0.053,1365 9.501,1366 3.89,1367 6.32,1368 0.075,1369 0.028,1370 6.842,1371 2.317,1372 0.27,1373 84.918,1374 0.222,1375 26.365,1376 0.439,1377 144,1378 376.907,1379 174.158,1380 400.058,1381 555.46,1382 374,1383 168,1384 400.815,1385 194.197,1386 431.833,1387 622.22,1388 405,1389 5.1}
{0 CHEMBL1992306,1 1.851,2 14.161,3 3.511,4 12.33,5 105.654,6 8.967,7 0.545,8 3.997,9 4.101,10 3.686,11 3.491,12 5.298,13 3.531,14 4.489,15 4.623,16 4.11,17 3.816,18 6.236,19 3.853,20 4.676,21 4.839,22 4.071,23 3.898,24 6.066,25 3.92,26 4.708,27 4.891,28 4.01,29 3.82,30 6.132,31 3.85,32 4.63,33 4.809,34 3.973,35 3.782,36 6.126,37 3.797,38 4.598,39 4.8,40 3.772,41 3.749,42 5.88,43 3.727,44 4.498,45 4.687,46 3.833,47 3.661,48 6.162,49 3.639,50 4.375,51 4.578,52 3.599,53 3.578,54 5.639,55 3.552,56 0.263,57 0.914,58 6.42,59 4.067,60 33.34,61 4.1,62 1.006,63 1.703,64 13.674,65 6.596,66 143.425,67 6.93,68 0.824,69 1.48,70 18.735,71 7.857,72 82.817,73 8.413,74 1.053,75 1.531,76 22.253,77 8.185,78 136.624,79 8.443,80 1.042,81 1.419,82 19.605,83 7.162,84 108.851,85 7.873,86 0.91,87 1.28,88 21.032,89 7.837,90 130.203,91 8.711,92 1.102,93 1.137,94 18.263,95 6.671,96 146.501,97 8.347,98 0.638,99 1.063,100 15.909,101 6.162,102 83.204,103 7.119,104 42,105 46,106 0.312,107 0.613,108 0.74,109 0.856,110 0.873,111 0.88,112 3.471,113 0.814,114 -3.3,115 -3.28,116 -3.15,119 43.8,124 1,132 1,142 10,143 1,144 4,145 1,146 1,158 1,159 1,172 6,175 6,178 3,179 1,180 4,183 7,187 1,188 3,191 1,193 5,196 4,199 1,200 4,205 5,208 4,212 1,213 5,216 2,218 5,221 4,225 3,230 1,233 4,237 1,238 4,241 1,243 4,246 8,250 2,255 2,258 6,264 4,267 1,269 2,272 2,276 1689,277 20.306,278 20.306,279 20.306,280 20.306,281 20.306,282 17.927,283 27.005,284 11.907,285 20.895,286 16.245,287 16.245,288 16.245,289 16.245,290 16.245,291 12.553,292 35.733,293 5.617,294 17.215,295 3.734,296 1.949,297 1.198,298 0.506,299 0.406,300 0.365,301 4.149,305 1,306 1,307 917,308 4.359,312 358.757,319 2.414,320 54.227,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 71.5,332 439,333 4.453,334 4.46,335 7.116,336 4.18,337 3.32,338 3.869,339 3.825,340 11.69,341 2.898,342 4.229,343 3.562,344 6.062,345 3.837,346 2.866,347 3.823,348 1.656,349 8.764,350 2.785,351 4.066,352 3.555,353 5.633,354 3.683,355 2.719,356 3.634,357 1.058,358 7.804,359 2.609,360 3.87,361 3.063,362 5.52,363 3.514,364 2.565,365 3.158,366 0.86,367 7.481,368 2.405,369 3.692,370 2.613,371 5.331,372 3.318,373 2.368,374 3.008,375 0.247,376 6.943,377 2.229,378 3.5,379 2.54,380 4.983,381 3.076,382 2.099,383 2.781,385 5.9,386 2.03,387 3.254,388 2.25,389 4.697,390 2.819,391 1.845,392 2.465,394 5.126,395 1.779,396 2.874,397 1.844,398 4.402,399 2.433,400 1.482,401 1.989,403 4.183,404 1.382,405 2.844,406 1.788,407 4.063,408 2.349,409 1.409,410 1.944,412 3.426,413 1.313,414 2.57,415 1.189,416 3.488,417 2.092,418 1.112,419 1.6,421 2.537,422 1.078,423 2.568,424 1.187,425 3.473,426 2.075,427 1.102,428 1.566,430 2.48,431 1.068,432 2.5,433 1.086,434 3.414,435 2,436 1,437 1.5,439 2.275,440 1,441 1.532,442 1,443 3.039,444 1.2,445 0.274,446 0.328,448 0.703,449 0.251,450 1.471,451 0.752,452 2.827,453 1.172,454 0.187,455 0.222,457 0.249,458 0.182,459 1.185,460 0.51,461 2.713,462 0.84,463 -0.103,464 -0.124,466 -0.285,467 -0.096,468 13.957,469 0.45,470 0.931,471 0.03,472 42.75,473 1.379,474 22.5,475 0.726,476 20.25,477 0.653,478 21.028,479 0.678,480 34.043,481 0.709,482 37,483 1.194,484 9.065,485 0.292,486 5.676,487 0.183,488 0.145,489 0.036,490 0.287,493 3,496 0.666,497 1.023,498 0.63,499 1.029,500 0.606,501 0.87,502 0.498,503 0.809,504 0.679,505 1.021,506 0.422,507 0.966,508 0.899,509 0.919,510 0.929,511 1.051,512 0.712,513 1.021,514 1.221,515 1.08,516 1.095,517 1.038,518 1.16,519 1.013,520 0.914,521 0.809,522 1.034,523 0.942,524 1.025,525 1.013,526 1.044,527 0.882,528 1.107,529 0.977,530 1.041,531 1.043,532 0.429,533 0.637,534 0.807,535 0.905,536 0.396,537 1.015,538 0.864,539 0.875,540 1.017,541 0.993,542 0.829,543 1.046,544 8.5,545 0.169,546 3.111,547 2.125,548 1.524,549 0.924,550 0.809,551 0.283,552 0.361,553 0.239,554 14271,555 56702,556 1.986,557 35.4,559 13,561 1,562 3,567 1.73,568 1.833,569 3.773,570 0.94,572 1,577 88.843,578 1.851,579 3.636,580 4.387,581 5.079,582 5.179,583 5.22,584 3.268,585 4.583,586 4.927,587 3.993,588 1856.9,589 8.565,590 28608.5,592 1,594 1,595 268.078,596 1.615,597 4.862,598 0.258,599 0.007,600 0.068,601 0.047,602 0.037,603 0.024,604 0.025,605 0.009,606 0.013,607 0.009,608 0.496,609 0.33,610 1,611 1.033,612 165.977,613 -0.08,614 -0.09,615 0.004,616 -0.029,617 -0.105,618 0.02,619 0.36,620 0.237,621 0.113,622 -0.032,623 0.37,624 -0.07,625 -0.114,626 -0.12,627 -0.06,628 -0.098,629 -0.029,630 -0.068,631 -0.212,632 -0.132,633 -0.113,634 -0.066,635 -0.162,636 -0.045,637 0.008,638 0.093,639 -0.096,640 0.003,641 -0.079,642 -0.069,643 -0.17,644 -0.019,645 -0.118,646 0.017,647 -0.17,648 -0.006,649 0.396,650 0.16,651 0.156,652 0.063,653 0.375,654 0.001,655 -0.113,656 -0.04,657 -0.074,658 -0.011,659 -0.094,660 -0.012,661 5.75,662 5.069,663 0.581,664 36.208,665 1.042,666 1.145,667 2.066,668 4.267,669 0.673,670 3.526,671 3.85,672 4.007,673 4.19,674 4.382,675 4.344,676 4.477,677 4.431,678 4.511,679 4.564,680 8.491,681 0.679,682 430.42,683 3.526,684 5.069,685 5.883,686 6.749,687 7.579,688 8.442,689 9.279,690 10.139,691 10.98,692 11.838,693 8.3,700 3,703 1,709 11,710 1,714 6,716 18,723 1,733 1,735 48,737 20,738 2,739 33,741 50,742 21,743 17,744 4,745 8,746 1,748 3,749 3,753 1,754 1,759 1,762 19,763 2,767 2,772 2,776 2,780 1,781 3,783 17,784 10,785 3,786 10,792 4,797 1,798 3,809 1,816 3,843 3,847 1,849 3,851 31,860 3,861 1,865 1,873 3,874 6.3,877 2,879 1,881 16.917,882 8.795,883 6.778,884 2.55,886 3.307,887 1.444,888 0.977,889 6.905,890 10.755,891 3.807,892 4.376,893 4.85,894 5.362,895 5.873,896 5.92,897 6.27,898 6.438,899 6.731,900 7.077,901 1,902 45,903 11.887,905 5.495,906 8.422,907 20.402,909 15.932,911 2.922,912 90.583,915 1,916 164.795,917 150.889,918 70.818,920 61.29,921 44.88,923 150.889,924 226.085,925 115.698,926 8.396,927 54.032,928 94.762,929 83.551,930 86.87,931 4.276,932 153.024,933 7.76,934 164.795,935 221.707,936 106.17,939 164.795,940 106.17,943 73.596,944 131.325,945 16.786,947 209.676,948 132.108,949 150.889,952 172.555,953 30.923,954 112.206,955 54.032,956 122.956,957 164.795,958 176.988,959 150.889,961 0.585,962 0.322,963 0.16,964 0.088,965 20,966 10,967 0.1,968 5,970 1,971 4.264,972 257.723,974 18,975 144.825,981 22.286,982 9.604,983 6.286,985 176.988,986 15.111,987 3.943,991 0.594,993 54.032,994 492.672,995 44,1000 23.702,1004 -1.047,1007 49.996,1008 54.962,1009 0.331,1010 0.651,1011 0.786,1012 0.909,1013 0.927,1014 0.935,1015 5.04,1016 1.482,1017 5.9,1018 5.126,1019 4.533,1020 5.063,1021 3.38,1022 6.693,1023 4.421,1024 6.259,1025 1.409,1026 7.46,1027 4.183,1028 4.29,1029 4.868,1030 3.949,1031 7.766,1032 4.025,1033 7.568,1034 1.112,1035 9.127,1036 3.426,1037 6.168,1038 7.191,1039 5.479,1040 10.719,1041 5.915,1042 8.907,1043 1.102,1044 10.86,1045 2.537,1046 6.686,1047 7.693,1048 6.701,1049 12.609,1050 6.253,1051 10.271,1052 1,1053 12.638,1054 2.48,1055 8.103,1056 9.56,1057 8.067,1058 15.175,1059 7.663,1060 11.654,1061 0.274,1062 14.449,1063 2.275,1064 8.964,1065 10.4,1066 9.391,1067 17.404,1068 8.343,1069 13.052,1070 0.187,1071 16.287,1072 0.703,1073 10.21,1074 12.05,1075 10.736,1076 19.87,1077 9.547,1078 3.32,1079 -0.103,1080 18.146,1081 0.249,1082 11.233,1083 13.08,1084 12.075,1085 22.236,1086 10.399,1087 2.866,1088 11.69,1089 20.023,1090 -0.285,1091 12.42,1092 14.609,1093 13.417,1094 24.684,1095 11.508,1096 2.719,1097 8.764,1098 21.915,1099 3.869,1100 13.522,1101 15.754,1102 14.758,1103 27.104,1104 12.449,1105 2.565,1106 7.804,1107 23.819,1108 3.823,1109 14.693,1110 17.21,1111 16.1,1112 29.553,1113 13.516,1114 2.368,1115 7.481,1116 25.734,1117 3.634,1118 15.835,1119 18.427,1120 17.441,1121 31.994,1122 14.503,1123 2.099,1124 6.943,1125 27.657,1126 3.158,1127 17.006,1128 19.838,1129 18.783,1130 34.447,1131 15.553,1132 1.845,1133 5.9,1134 29.587,1135 3.008,1136 18.17,1137 21.101,1138 20.124,1139 36.897,1140 16.565,1141 14002,1142 28134,1143 21.266,1144 32.29,1145 49.512,1146 50.183,1147 50.037,1148 48.942,1149 48.697,1150 63.772,1151 15.294,1152 139.123,1153 46.017,1154 5.325,1155 6.46,1156 6.67,1157 5.254,1158 5.32,1159 6.869,1160 5.335,1161 18.668,1162 4.898,1163 18.785,1164 1.5,1165 1.521,1166 1.516,1167 1.483,1168 1.476,1169 1.932,1170 0.463,1171 4.216,1172 1.394,1173 3.986,1174 4.014,1175 3.942,1176 3.881,1177 8.513,1178 3.889,1179 3.92,1180 3.946,1181 3.88,1182 3.829,1183 7.999,1184 3.835,1185 3.837,1186 3.872,1187 3.788,1188 3.731,1189 7.999,1190 3.741,1191 3.481,1192 3.542,1193 3.449,1194 3.206,1195 7.432,1196 3.243,1197 3.441,1198 3.496,1199 3.357,1200 3.153,1201 7.428,1202 3.205,1203 3.274,1204 3.319,1205 3.257,1206 2.98,1207 4.968,1208 3.031,1209 3.001,1210 3.05,1211 2.892,1212 2.794,1213 4.745,1214 2.794,1215 2.941,1216 2.998,1217 2.784,1218 2.767,1219 4.708,1220 2.768,1221 0.135,1222 0.135,1223 0.216,1224 0.127,1225 0.101,1226 4.453,1227 0.117,1228 4.46,1229 0.116,1230 7.116,1231 0.354,1232 4.18,1233 0.088,1234 3.32,1235 3.869,1236 3.825,1237 11.69,1238 2.898,1239 1.914,1240 1.889,1241 2.009,1242 2.039,1243 1.1,1244 2.027,1245 1.889,1246 1.867,1247 1.986,1248 2.004,1249 1.065,1250 1.996,1251 1.8,1252 1.77,1253 1.896,1254 1.933,1255 0.937,1256 1.925,1257 1.382,1258 1.309,1259 1.674,1260 1.68,1261 0.677,1262 1.678,1263 1.281,1264 1.237,1265 1.396,1266 1.602,1267 0.35,1268 1.541,1269 1.076,1270 1.038,1271 1.205,1272 1.408,1273 0.259,1274 1.321,1275 0.961,1276 0.904,1277 1.196,1278 1.2,1279 0.238,1280 1.194,1281 0.895,1282 0.844,1283 1.181,1284 1.124,1285 0.218,1286 1.122,1287 4.205,1289 5.525,1291 7.024,1293 8.596,1295 10.206,1297 1.493,1299 38.287,1305 7.342,1306 5.659,1310 -4.5,1314 32.594,1315 88.843,1316 174.541,1317 210.594,1318 243.814,1319 248.568,1320 250.568,1321 82.041,1322 7.448,1323 92.35,1324 92.35,1325 18,1326 12.393,1327 4.392,1328 3.585,1329 58.736,1330 161,1331 142,1332 0.176,1333 200.589,1334 361.62,1335 481.196,1336 19301,1337 6.3,1338 22.433,1339 0.724,1340 0.521,1341 19.933,1342 16.157,1343 14.741,1344 0.447,1345 0.271,1346 8.751,1347 13.902,1348 8.624,1349 7.152,1350 13.529,1351 8.957,1352 13.973,1353 0.304,1354 0.136,1355 12.015,1356 6.24,1357 10.384,1358 0.192,1359 0.074,1360 9.421,1361 3.987,1362 8.097,1363 0.125,1364 0.039,1365 7.579,1366 2.536,1367 6.492,1368 0.082,1369 0.02,1370 5.852,1371 1.615,1372 0.289,1373 94.493,1374 0.217,1375 29.938,1376 0.451,1377 158,1378 732.184,1379 191.035,1380 619.728,1381 802.02,1382 572,1383 179,1384 558.926,1385 204.028,1386 542.366,1387 803.78,1388 508,1389 5.1}
{0 CHEMBL1992323,1 1.88,2 5.467,3 2.042,4 4.169,5 53.809,6 11.031,7 0.588,8 3.209,9 3.271,10 3.093,11 2.825,12 4.503,13 2.863,14 3.67,15 3.743,16 3.522,17 3.212,18 5.036,19 3.245,20 3.839,21 3.935,22 3.54,23 3.227,24 5.277,25 3.242,26 3.655,27 3.761,28 3.296,29 2.998,30 5.049,31 3.01,32 3.305,33 3.423,34 3.112,35 2.663,36 4.747,37 2.655,38 3.083,39 3.243,40 2.634,41 2.315,42 4.491,43 2.278,44 2.647,45 2.862,46 2.218,47 1.644,48 4.164,49 1.514,50 1.378,51 1.669,52 0.233,53 0.566,54 1.962,55 0.355,56 0.124,57 0.285,58 0.887,59 1.374,60 7.806,61 1.08,62 0.24,63 0.452,64 1.769,65 2.297,66 14.6,67 1.868,68 0.451,69 0.483,70 7.36,71 3.292,72 35.67,73 2.87,74 0.352,75 0.402,76 5.289,77 2.75,78 32.274,79 2.17,80 0.245,81 0.28,82 3.526,83 1.924,84 15.576,85 1.683,86 0.196,87 0.23,88 2.862,89 1.579,90 20.78,91 1.258,92 0.204,93 0.115,94 5.955,95 1.373,96 23.513,97 1.446,98 0.045,99 0.023,100 3.089,101 0.477,102 4.93,103 0.672,104 5,105 25,106 0.387,107 0.758,108 0.841,109 0.89,110 0.89,111 0.89,112 2.799,113 0.827,114 -2.65,115 -2.66,116 -2.59,119 50,142 3,143 1,144 2,152 2,158 2,172 2,175 3,178 2,183 4,187 2,188 3,191 1,196 4,199 1,200 2,205 1,213 5,218 2,225 1,230 1,238 1,243 1,276 159,277 10.154,278 10.154,279 10.154,280 10.154,281 10.154,282 8.698,283 10.589,284 5.843,285 10.393,286 8.393,287 8.393,288 8.393,289 8.393,290 8.393,291 6.085,292 12.349,293 2.778,294 8.791,295 2.441,296 0.638,297 0.238,301 3.471,302 1,305 1,306 1,307 179,308 1.732,311 17.239,312 50.198,315 71.032,319 0.898,320 18.194,323 1,324 0.83,325 1,326 0.4,328 1,329 1,330 0.75,331 33.333,332 82,333 4.686,334 3.638,335 6.849,336 4.248,337 3.258,338 4.631,339 1.11,340 11.41,341 3.225,342 3.964,343 3.133,344 5.93,345 3.555,346 2.575,347 3.442,348 0.779,349 8.156,350 2.522,351 3.498,352 2.776,353 5.119,354 3.019,355 2.113,356 2.837,358 5.842,359 1.883,360 3.34,361 2.251,362 4.957,363 2.861,364 1.888,365 2.637,367 5.759,368 1.772,369 2.884,370 1.771,371 4.311,372 2.352,373 1.414,374 1.902,376 3.743,377 1.314,378 2.724,379 1.534,380 3.829,381 2.183,382 1.199,383 1.75,385 3.026,386 1.171,387 2.086,388 0.962,389 3.202,390 1.566,391 0.589,392 0.854,394 1.432,395 0.559,396 1.233,397 0.607,398 2.476,399 0.775,400 -0.179,401 -0.231,403 -0.415,404 -0.143,405 0.969,406 0.167,407 2.365,408 0.437,409 -0.461,410 -0.625,412 -1.125,413 -0.384,414 0.64,415 -0.617,416 2.254,417 0.137,418 -0.858,419 -1.176,421 -2.564,422 -0.792,423 0.324,424 -0.645,425 2.183,426 -0.095,427 -1,428 -1.322,430 -2.757,431 -0.89,432 0.008,433 -0.914,434 1.703,435 -0.352,436 -1.331,437 -1.839,439 -3.462,440 -1.216,441 -0.111,442 -1.2,443 1.31,444 -0.584,445 -1.414,446 -1.879,448 -3.814,449 -1.395,450 -0.42,451 -1.646,452 1.249,453 -0.899,454 -1.882,455 -2.457,457 -5.671,458 -1.815,459 -0.5,460 -1.864,461 1.092,462 -0.932,463 -1.911,464 -2.68,466 -5.928,467 -1.895,468 7.181,469 0.479,470 0.418,471 0.028,472 22,473 1.467,474 11.5,475 0.767,476 10.5,477 0.7,478 8.148,479 0.543,480 15.019,481 0.751,482 12.803,483 0.854,484 4.425,485 0.295,486 2.829,487 0.189,488 0.146,490 0.418,496 0.779,497 1.136,498 0.465,499 0.768,500 0.584,501 0.652,502 0.797,503 0.939,504 0.578,505 0.814,506 0.617,507 0.767,508 0.991,509 0.922,510 1.062,511 0.969,512 0.966,513 0.968,514 1.341,515 1.054,516 1.076,517 0.986,518 1.236,519 1.048,520 0.776,521 1.211,522 0.982,523 1.265,524 0.775,525 1.222,526 1.408,527 1.139,528 1.2,529 0.996,530 1.969,531 1.221,532 0.847,533 0.636,534 1.955,535 1.507,536 1.293,537 1.465,538 1.078,539 0.039,540 3.196,541 1.334,542 0.804,543 1.129,544 3,546 2,547 1.389,548 0.942,549 0.341,550 0.158,551 0.028,554 1529,555 6156,556 2.145,557 25,559 3,561 1,562 1,567 1.537,568 2,569 2.548,570 -0.134,574 1,577 37.61,578 1.88,579 3.684,580 4.084,581 4.322,582 4.322,583 4.322,584 1.966,585 3.64,586 3.883,587 2.568,588 269.644,589 6.533,590 2136.18,592 1,595 86.439,596 1.429,597 3.837,598 0.176,600 0.08,601 0.058,602 0.052,603 0.028,604 0.023,605 0.014,608 0.431,609 0.83,610 1,611 0.648,612 56.382,613 -0.127,614 -0.121,615 -0.008,616 -0.026,617 -0.091,618 0.024,619 -0.025,620 0.074,621 -0.01,622 -0.025,623 -0.007,624 -0.043,625 0.042,626 0.006,627 -0.155,628 -0.025,629 -0.019,630 -0.061,631 -0.277,632 -0.13,633 -0.181,634 -0.029,635 -0.177,636 -0.117,637 0.153,638 -0.28,639 0.123,640 -0.295,641 0.112,642 -0.229,643 -0.374,644 -0.168,645 -0.075,646 0.043,647 -0.396,648 -0.113,649 0.404,650 0.192,651 0.187,652 -0.134,653 0.306,654 0.124,655 -0.015,656 0.61,657 -0.249,658 0.433,659 0.072,660 1.199,661 1.952,662 4.411,663 0.867,664 6.72,665 1.047,666 1.109,667 1.416,668 2.004,669 0.765,670 2.89,671 3.258,672 3.584,673 3.912,674 4.174,675 4.22,676 4.29,677 4.369,678 4.078,679 3.784,680 3.479,681 0.768,682 220.62,683 2.89,684 4.443,685 5.323,686 6.232,687 7.136,688 8.052,689 8.964,690 9.88,691 10.795,692 11.712,693 10,700 1,702 1,708 2,709 3,712 1,714 3,716 10,723 1,734 1,735 20,737 12,738 1,739 17,741 22,742 10,743 8,744 3,745 3,746 2,748 3,749 6,750 1,762 10,767 2,772 1,774 1,775 1,776 1,782 1,783 5,784 4,785 1,786 5,787 1,792 2,793 1,797 0.333,798 2,815 1,816 2,819 2,843 1,848 1,851 15,860 1,873 1,874 10,877 1,879 1,881 7.5,882 3.76,883 3.194,884 1.118,886 2.615,887 1.409,888 1.053,889 1.762,890 9.002,891 3.219,892 3.897,893 4.581,894 5.278,895 5.87,896 6.261,897 6.636,898 7.043,899 6.993,900 6.964,901 0.75,902 24,903 5.492,904 -0.001,905 2.439,906 8.041,907 10.091,909 8.386,911 2.541,912 38.111,913 0.002,916 47.084,917 60.867,918 34.796,919 39.149,920 34.652,923 60.867,924 120.885,925 34.796,927 18.011,928 28.429,929 50.239,930 35.123,931 10.285,932 35.313,933 39.149,934 47.084,935 95.664,936 34.652,937 39.149,939 47.084,940 34.652,943 34.796,944 60.867,945 39.149,947 47.084,948 69.449,949 100.016,952 47.084,953 23.82,954 37.047,955 18.011,956 90.586,957 47.084,958 69.449,959 100.016,961 0.594,962 0.355,963 0.202,964 0.119,965 15,966 6,969 2,970 1.308,971 2.713,972 107.685,973 0.308,974 13,975 58.603,981 8.798,982 3.003,983 1.233,984 1.363,985 69.449,986 5.161,989 5.373,991 1.36,993 18.011,994 216.549,995 24,1000 11.411,1002 1.348,1003 4.063,1004 -0.285,1007 20.949,1008 22.19,1009 0.435,1010 0.852,1011 0.945,1012 1,1013 1,1014 1,1015 4.46,1016 -0.179,1017 5.333,1018 1.432,1019 3.932,1020 4.58,1021 1.543,1022 6.201,1023 3.859,1024 5.71,1025 -0.461,1026 6.925,1027 -0.415,1028 3.611,1029 4.543,1031 7.195,1032 3.505,1033 7.049,1034 -0.858,1035 8.617,1036 -1.125,1037 5.572,1038 6.909,1039 1.564,1040 10.345,1041 5.469,1042 8.428,1043 -1,1044 10.369,1045 -2.564,1046 6.066,1047 7.723,1049 12.196,1050 5.962,1051 9.84,1052 -1.331,1053 12.159,1054 -2.757,1055 7.533,1056 9.575,1057 1.647,1058 14.872,1059 7.422,1060 11.278,1061 -1.414,1062 13.977,1063 -3.462,1064 8.408,1065 10.79,1067 17.076,1068 8.303,1069 12.736,1070 -1.882,1071 15.815,1072 -3.814,1073 9.685,1074 12.442,1075 1.773,1076 19.592,1077 9.571,1078 3.258,1079 -1.911,1080 17.67,1081 -5.671,1082 10.731,1083 13.838,1085 21.936,1086 10.619,1087 2.575,1088 11.41,1089 19.537,1090 -5.928,1091 11.939,1092 15.413,1093 1.924,1094 24.397,1095 11.818,1096 2.113,1097 8.156,1098 21.414,1099 4.631,1100 13.06,1101 16.888,1103 26.795,1104 12.936,1105 1.888,1106 5.842,1107 23.299,1108 3.442,1109 14.245,1110 18.435,1111 2.093,1112 29.238,1113 14.111,1114 1.414,1115 5.759,1116 25.191,1117 2.837,1118 15.398,1119 19.943,1121 31.657,1122 15.258,1123 1.199,1124 3.743,1125 27.089,1126 2.637,1127 16.577,1128 21.479,1129 2.272,1130 34.094,1131 16.427,1132 0.589,1133 3.026,1134 28.99,1135 1.902,1136 17.744,1137 23.001,1139 36.522,1140 17.587,1141 1521,1142 3126,1143 11.444,1144 15.301,1145 26.6,1146 27.644,1147 27.219,1148 26.227,1149 26.071,1150 36.106,1151 3.779,1152 78.734,1153 24.89,1154 5.511,1155 5.638,1156 6.377,1157 5.319,1158 5.258,1159 7.631,1160 2.22,1161 18.698,1162 5.225,1163 6.021,1164 1.565,1165 1.626,1166 1.601,1167 1.543,1168 1.534,1169 2.124,1170 0.222,1171 4.631,1172 1.464,1173 4.126,1174 4.129,1175 4.151,1176 4.022,1177 7.43,1178 4.038,1179 3.622,1180 3.661,1181 3.751,1182 3.459,1183 5.157,1184 3.48,1185 3.144,1186 3.166,1187 3.339,1188 2.931,1189 4.78,1190 2.956,1191 2.985,1192 3.013,1193 2.949,1194 2.806,1195 4.544,1196 2.817,1197 2.838,1198 2.875,1199 2.822,1200 2.634,1201 3.93,1202 2.665,1203 2.236,1204 2.318,1205 2.513,1206 2.046,1207 3.716,1208 2.055,1209 1.982,1210 1.978,1211 2.028,1212 1.618,1213 3.386,1214 1.645,1215 1.711,1216 1.824,1217 1.713,1218 1.251,1219 2.82,1220 1.269,1221 0.276,1222 0.214,1223 0.403,1224 0.25,1225 0.192,1226 4.686,1227 0.272,1228 3.638,1229 0.065,1230 6.849,1231 0.671,1232 4.248,1233 0.19,1234 3.258,1235 4.631,1236 1.11,1237 11.41,1238 3.225,1239 1.915,1240 1.902,1241 1.971,1242 1.985,1243 1.124,1244 1.987,1245 1.633,1246 1.612,1247 1.697,1248 1.881,1249 0.674,1250 1.826,1251 0.985,1252 0.967,1253 1.182,1254 1.253,1255 0.223,1256 1.215,1257 0.943,1258 0.905,1259 1.036,1260 1.133,1261 0.084,1262 1.117,1263 0.735,1264 0.702,1265 0.89,1266 0.929,1268 0.913,1269 0.482,1270 0.442,1271 0.702,1272 0.808,1274 0.799,1277 0.294,1278 0.238,1280 0.213,1283 0.121,1284 0.111,1286 0.186,1287 3.555,1289 4.905,1290 2.398,1291 6.463,1292 4.844,1293 8.117,1294 7.066,1295 9.82,1298 5.86,1305 2.456,1314 15.354,1315 37.61,1316 73.684,1317 81.684,1318 86.439,1319 86.439,1320 86.439,1321 18.431,1322 6.387,1323 58.89,1324 58.89,1325 17,1326 12.223,1327 3.7,1328 3,1329 19.799,1330 33,1331 27,1332 0.339,1333 96.863,1334 161.63,1335 228.106,1336 3979,1337 5,1338 10.414,1339 0.694,1340 0.547,1341 10.914,1342 8.207,1343 7.254,1344 0.427,1345 0.276,1346 4.264,1347 6.633,1348 4.183,1349 3.416,1350 7.543,1351 4.688,1352 6.814,1353 0.273,1354 0.144,1355 7.222,1356 3.588,1357 5.913,1358 0.169,1359 0.07,1360 6.175,1361 2.454,1362 5.119,1363 0.104,1364 0.035,1365 5.338,1366 1.732,1367 4.412,1368 0.069,1369 0.019,1370 4.702,1371 1.208,1372 0.486,1373 49.002,1374 0.296,1375 14.563,1376 1.078,1377 84,1378 301.652,1379 109.438,1380 316.225,1381 422.17,1382 294,1383 102,1384 292.208,1385 122.62,1386 301.163,1387 446.96,1388 284,1389 5.1}
{0 CHEMBL1992342,1 1.722,2 10.217,3 3.041,4 9.246,5 94.331,6 8.06,7 0.64,8 3.823,9 3.938,10 3.624,11 3.413,12 4.915,13 3.363,14 4.335,15 4.482,16 3.868,17 3.79,18 5.659,19 3.725,20 4.576,21 4.774,22 3.867,23 3.888,24 5.708,25 3.791,26 4.586,27 4.795,28 3.758,29 3.84,30 5.754,31 3.727,32 4.516,33 4.735,34 3.542,35 3.705,36 5.69,37 3.595,38 4.324,39 4.552,40 3.404,41 3.562,42 5.374,43 3.446,44 4.216,45 4.461,46 3.319,47 3.43,48 5.217,49 3.293,50 4.139,51 4.403,52 3.197,53 3.273,54 5.171,55 3.116,56 0.131,57 0.66,58 10.786,59 3.913,60 19.325,61 4.612,62 0.304,63 1.008,64 17.701,65 6.952,66 53.668,67 8.441,68 0.326,69 1.185,70 23.762,71 8.451,72 53.236,73 10.317,74 0.33,75 1.167,76 26.908,77 8.761,78 52.077,79 10.482,80 0.378,81 0.995,82 23.296,83 7.962,84 68.85,85 9.828,86 0.193,87 0.865,88 16.969,89 6.516,90 36.766,91 8.759,92 0.164,93 0.815,94 15.763,95 5.508,96 23.648,97 7.538,98 0.186,99 0.707,100 17.878,101 5.636,102 28.403,103 7.231,104 21,105 36,106 0.301,107 0.633,108 0.76,109 0.835,110 0.847,111 0.847,112 3.188,113 1.078,114 -3.78,115 -3.75,116 -3.56,119 39,120 1,121 1,125 1,142 7,143 3,144 1,147 1,152 1,163 1,164 1,165 1,168 1,172 10,174 1,175 1,177 1,178 3,180 5,183 12,185 1,188 4,192 1,193 6,195 1,196 12,198 1,200 8,205 5,208 8,210 2,213 5,218 4,221 6,223 2,225 4,230 6,233 4,235 2,238 4,243 6,246 3,248 2,250 4,258 2,264 4,267 1,268 2,271 1,272 3,276 685,277 15.248,278 15.248,279 15.248,280 15.248,281 15.248,282 13.067,283 8.618,284 8.85,285 15.513,286 12.297,287 12.297,288 12.297,289 12.297,290 12.297,291 8.934,292 5.975,293 4.091,294 12.731,295 3.636,296 1.731,297 1.004,298 0.573,299 0.506,300 0.506,301 3.865,304 1,305 1,306 1,307 502,308 3.464,311 57.587,312 136.412,315 99.279,319 1.773,320 25.567,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 50,332 235,333 4.697,334 4.458,335 6.74,336 4.146,337 3.216,338 4.511,340 11.041,341 3.051,342 4.556,343 3.121,344 6.521,345 4.079,346 3.098,347 4.487,349 10.224,350 2.961,351 4.146,352 2.791,353 6.089,354 3.741,355 2.753,356 3.771,358 8.85,359 2.713,360 3.679,361 2.445,362 5.26,363 3.254,364 2.281,365 3.12,367 6.681,368 2.214,369 3.311,370 1.958,371 4.952,372 2.839,373 1.883,374 2.653,376 5.416,377 1.799,378 2.975,379 1.549,380 4.407,381 2.486,382 1.503,383 2.193,385 4.276,386 1.475,387 2.657,388 1.261,389 4.016,390 2.165,391 1.187,392 1.729,394 3.169,395 1.158,396 2.5,397 1.188,398 3.593,399 2.109,400 1.116,401 1.5,403 2.275,404 1.105,405 2.181,406 1,407 3.414,408 2,409 1,410 1.158,412 1.902,413 1,414 2.124,415 0.716,416 3.225,417 1.653,418 0.673,419 0.96,421 1.578,422 0.659,423 1.355,424 0.514,425 2.923,426 1.019,427 0.052,428 0.064,430 0.135,431 0.05,432 1,433 0.067,434 2.593,435 0.544,436 -0.421,437 -0.502,439 -0.797,440 -0.399,441 0.921,442 -0.34,443 2.206,444 0.401,445 -0.537,446 -0.627,448 -1.113,449 -0.492,450 0.654,451 -0.734,452 2,453 0.199,454 -0.787,455 -1.042,457 -2.259,458 -0.775,459 0.63,460 -0.887,461 2,462 0.098,463 -0.891,464 -1.29,466 -2.616,467 -0.878,468 11.1,469 0.483,470 0.69,471 0.03,472 32,473 1.391,474 18,475 0.783,476 14,477 0.609,478 16.034,479 0.697,480 24.9,481 0.607,482 22.503,483 0.978,484 5.977,485 0.26,486 5.005,487 0.218,488 0.141,489 0.075,490 0.27,496 0.585,497 1.106,498 0.849,499 1.134,500 0.754,501 0.883,502 0.508,503 1.166,504 0.994,505 1.146,506 0.501,507 1,508 1.143,509 1.007,510 1.031,511 0.972,512 1.123,513 0.979,514 1.211,515 1.039,516 1.303,517 1.169,518 1.076,519 1.065,520 1.43,521 0.875,522 1.033,523 0.908,524 1.569,525 0.986,526 0.825,527 1.089,528 0.741,529 0.922,530 0.877,531 1.049,532 0.713,533 1.154,534 0.86,535 0.983,536 0.52,537 1.1,538 0.851,539 1.01,540 1.042,541 1.052,542 0.702,543 0.967,544 6,545 0.174,546 3.111,547 1.729,548 0.991,549 0.712,550 0.473,551 0.278,552 0.231,553 0.119,554 5772,555 17297,556 2.031,557 43.9,558 3,559 9,562 4,564 2,567 1.652,568 1.878,569 3.299,570 1.865,571 1,572 1,574 1,577 70.601,578 1.722,579 3.627,580 4.354,581 4.784,582 4.851,583 4.851,584 2.736,585 4.143,586 4.494,587 3.492,588 883.558,589 7.712,590 10179.3,591 1,592 1,594 1,595 219.66,596 1.631,597 4.433,598 0.24,599 0.013,600 0.086,601 0.051,602 0.033,603 0.028,604 0.021,605 0.015,606 0.015,607 0.009,608 0.513,609 0.17,610 1,611 1.422,612 108.623,613 0.1,614 0.128,615 0.211,616 0.024,617 -0.188,618 0.09,619 0.329,620 -0.062,621 -0.014,622 -0.075,623 0.303,624 -0.023,625 -0.15,626 0.007,627 -0.064,628 0.027,629 -0.125,630 -0.01,631 -0.198,632 -0.022,633 -0.203,634 -0.101,635 -0.058,636 -0.084,637 -0.237,638 0.021,639 -0.122,640 0.032,641 -0.197,642 -0.01,643 -0.038,644 -0.186,645 0.021,646 -0.048,647 -0.058,648 -0.053,649 -0.045,650 -0.172,651 -0.004,652 -0.088,653 -0.015,654 -0.125,655 -0.013,656 -0.072,657 0.067,658 -0.017,659 0.065,660 0.05,661 4.185,662 4.774,663 0.652,664 20.363,665 1.008,666 1.128,667 2.555,668 6.528,669 0.681,670 3.258,671 3.611,672 3.829,673 4.078,674 4.234,675 4.304,676 4.466,677 4.585,678 4.564,679 4.615,680 6.111,681 0.644,682 330.45,683 3.258,684 4.812,685 5.652,686 6.544,687 7.401,688 8.294,689 9.157,690 10.05,691 10.919,692 11.811,693 9.8,697 1,698 1,701 1,703 1,708 2,709 7,710 1,711 1,714 4,716 16,727 1,735 41,737 18,738 2,739 25,741 43,742 16,743 13,744 5,745 7,748 3,749 4,754 1,760 1,762 13,763 3,767 2,770 1,772 2,779 1,780 1,783 18,784 5,785 4,786 7,787 1,792 4,797 0.667,798 2,807 1,815 1,816 2,819 1,843 2,845 1,847 1,851 23,852 1,855 1,858 2,860 1,874 4.9,877 2,881 12.25,882 7.367,883 5,884 2.426,886 3.282,887 1.469,888 1.023,889 4.286,890 10.286,891 3.584,892 4.273,893 4.803,894 5.426,895 5.95,896 6.308,897 6.812,898 7.27,899 7.5,900 7.883,901 0.857,902 34,903 8.638,905 3.857,906 7.931,907 16.08,909 13.408,911 2.431,912 55.917,915 1,916 164.795,917 100.574,918 82.628,920 44.313,922 5.807,923 94.766,924 209.108,925 82.628,926 8.825,927 3.434,928 105.038,929 77.381,930 28.364,931 4.472,932 164.795,934 164.795,935 177.394,936 44.313,937 5.807,939 141.253,940 67.855,943 28.922,944 115.404,945 38.875,947 164.795,948 126.941,949 100.574,951 5.807,952 164.795,953 19.607,954 75.159,955 33.068,956 93.873,957 164.795,958 126.941,959 100.574,961 0.588,962 0.331,963 0.176,964 0.085,965 18,966 8,967 0.116,968 5,969 1,970 1.133,971 3.517,972 179.936,973 0.133,974 15,975 98.042,980 1,981 15.841,982 6.222,983 3.489,984 1.755,985 110.278,986 13.117,987 3.978,988 2.862,991 2.997,993 65.965,994 392.31,995 35,998 -3.268,1000 23.548,1007 41.323,1008 46.238,1009 0.321,1010 0.677,1011 0.813,1012 0.893,1013 0.906,1014 0.906,1015 4.82,1016 1.116,1017 5.687,1018 3.169,1019 4.29,1020 4.959,1022 6.535,1023 4.226,1024 6.089,1025 1,1026 7.277,1027 2.275,1028 4.111,1029 5.121,1031 7.719,1032 3.975,1033 7.458,1034 0.673,1035 8.973,1036 1.902,1037 5.984,1038 7.356,1040 10.68,1041 5.839,1042 8.869,1043 0.052,1044 10.731,1045 1.578,1046 6.581,1047 8.293,1049 12.617,1050 6.357,1051 10.311,1052 -0.421,1053 12.526,1054 0.135,1055 7.987,1056 10.066,1058 15.162,1059 7.749,1060 11.774,1061 -0.537,1062 14.345,1063 -0.797,1064 8.901,1065 11.318,1067 17.369,1068 8.589,1069 13.252,1070 -0.787,1071 16.18,1072 -1.113,1073 10.138,1074 12.923,1076 19.79,1077 9.8,1078 3.216,1079 -0.891,1080 18.028,1081 -2.259,1082 11.185,1083 14.311,1085 22.099,1086 10.779,1087 3.098,1088 11.041,1089 19.885,1090 -2.616,1091 12.361,1092 15.852,1094 24.484,1095 11.918,1096 2.753,1097 10.224,1098 21.748,1099 4.511,1100 13.464,1101 17.3,1103 26.832,1104 12.96,1105 2.281,1106 8.85,1107 23.616,1108 4.487,1109 14.619,1110 18.815,1112 29.208,1113 14.071,1114 1.883,1115 6.681,1116 25.489,1117 3.771,1118 15.747,1119 20.291,1121 31.574,1122 15.141,1123 1.503,1124 5.416,1125 27.365,1126 3.12,1127 16.897,1128 21.797,1130 33.951,1131 16.242,1132 1.187,1133 4.276,1134 29.244,1135 2.653,1136 18.036,1137 23.286,1139 36.326,1140 17.326,1141 5681,1142 9949,1143 16.296,1144 27.909,1145 37.651,1146 38.702,1147 38.92,1148 37.599,1149 37.524,1150 52.294,1152 111.092,1153 36.369,1154 5.537,1155 6.458,1156 6.457,1157 5.163,1158 5.216,1159 7.511,1161 17.567,1162 5.051,1163 12.241,1164 1.506,1165 1.548,1166 1.557,1167 1.504,1168 1.501,1169 2.092,1171 4.444,1172 1.455,1173 4.131,1174 4.165,1175 4.723,1176 4.055,1177 7.716,1178 4.048,1179 4.009,1180 4,1181 4.086,1182 3.957,1183 6.999,1184 3.867,1185 3.802,1186 3.816,1187 3.789,1188 3.738,1189 5.249,1190 3.701,1191 3.412,1192 3.477,1193 3.284,1194 3.244,1195 4.8,1196 3.228,1197 3.327,1198 3.381,1199 3.228,1200 3.164,1201 4.678,1202 3.148,1203 3.026,1204 3.117,1205 2.914,1206 2.864,1207 4.286,1208 2.862,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 4.075,1214 2.715,1215 2.754,1216 2.862,1217 2.63,1218 2.54,1219 3.786,1220 2.545,1221 0.188,1222 0.178,1223 0.27,1224 0.166,1225 0.129,1226 4.697,1227 0.18,1228 4.458,1230 6.74,1231 0.442,1232 4.146,1233 0.122,1234 3.216,1235 4.511,1237 11.041,1238 3.051,1239 2.013,1240 1.996,1241 2.087,1242 2.081,1243 1.278,1244 2.095,1245 1.845,1246 1.847,1247 1.913,1248 1.957,1249 1.22,1250 1.999,1251 1.719,1252 1.704,1253 1.879,1254 1.833,1255 1,1256 1.858,1257 1.351,1258 1.297,1259 1.492,1260 1.695,1261 0.695,1262 1.643,1263 1.336,1264 1.268,1265 1.38,1266 1.546,1267 0.376,1268 1.598,1269 1.048,1270 1.004,1271 1.231,1272 1.274,1273 0.34,1274 1.271,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.771,1282 0.688,1283 1.064,1284 1.037,1285 0.136,1286 1.073,1287 3.932,1289 5.273,1290 2.398,1291 6.799,1292 4.727,1293 8.404,1294 6.804,1295 10.051,1297 1.833,1301 5.826,1303 0.699,1305 2.57,1314 26.39,1315 70.601,1316 148.705,1317 178.498,1318 196.15,1319 198.905,1320 198.905,1321 42.903,1322 7.004,1323 100.87,1324 109.25,1325 17,1326 12.343,1327 4.248,1328 3.459,1329 37.098,1330 85,1331 86,1332 0.218,1333 167.877,1334 277.19,1335 401.379,1336 9473,1338 16.449,1339 0.715,1340 0.588,1341 16.699,1342 13.521,1343 10.982,1344 0.439,1345 0.359,1346 7.39,1347 9.872,1348 7.06,1349 5.907,1350 11.836,1351 8.981,1352 10.451,1353 0.29,1354 0.2,1355 11.76,1356 7.209,1357 8.138,1358 0.181,1359 0.112,1360 9.022,1361 5.049,1362 6.901,1363 0.119,1364 0.062,1365 7.783,1366 3.579,1367 5.055,1368 0.074,1369 0.029,1370 5.513,1371 2.001,1372 0.345,1373 77.007,1374 0.248,1375 22.746,1376 0.589,1377 122,1378 357.955,1379 166.092,1380 373.801,1381 507.38,1382 342,1383 142,1384 355.714,1385 193.831,1386 394.62,1387 567.6,1388 369,1389 5.1}
{0 CHEMBL1992363,1 1.525,2 14.364,3 4.395,4 19.318,5 130.585,6 7.813,7 0.73,8 4.142,9 4.271,10 3.762,11 3.698,12 5.3,13 3.688,14 4.63,15 4.802,16 4.108,17 4.083,18 5.731,19 4.059,20 4.824,21 5.01,22 4.114,23 4.188,24 5.913,25 4.128,26 4.943,27 5.179,28 4.05,29 4.144,30 6.003,31 4.068,32 4.854,33 5.097,34 3.988,35 4.037,36 5.927,37 3.974,38 4.698,39 4.927,40 3.969,41 3.957,42 5.787,43 3.911,44 4.617,45 4.819,46 3.933,47 3.918,48 5.783,49 3.881,50 4.61,51 4.814,52 3.772,53 3.898,54 5.745,55 3.831,56 0.1,57 0.905,58 10.389,59 4.562,60 9.991,61 5.901,62 0.231,63 1.406,64 19.021,65 7.249,66 17.815,67 9.749,68 0.17,69 1.621,70 23.852,71 9.401,72 28.746,73 12.648,74 0.34,75 1.718,76 30.416,77 10.219,78 49.09,79 14.338,80 0.348,81 1.548,82 28.654,83 9.344,84 50.538,85 13.141,86 0.351,87 1.395,88 23.484,89 7.918,90 34.62,91 11.095,92 0.335,93 1.318,94 20.406,95 7.048,96 33.076,97 9.406,98 0.377,99 1.221,100 21.151,101 7.355,102 52.777,103 9.552,104 11,105 52,106 0.245,107 0.586,108 0.715,109 0.816,110 0.832,111 0.832,112 3.532,113 0.858,114 -4.96,115 -4.87,116 -4.56,119 44.6,124 2,125 1,142 12,143 4,144 1,146 2,151 1,153 1,158 1,166 2,168 1,172 14,174 1,175 7,178 1,179 1,180 3,183 14,188 13,191 1,193 5,196 7,200 16,203 1,205 7,208 1,212 1,213 11,218 3,221 4,224 2,225 7,228 3,230 2,233 10,237 2,238 4,241 4,246 15,249 1,250 2,253 1,258 15,263 3,264 6,269 2,272 8,276 2104,277 22.532,278 22.532,279 22.532,280 22.532,281 22.532,282 19.33,283 22.418,284 13.235,285 22.837,286 18.281,287 18.281,288 18.281,289 18.281,290 18.281,291 13.419,292 34.035,293 6.318,294 18.75,295 4.282,296 2.163,297 1.358,298 0.732,299 0.634,300 0.634,301 4.24,306 1,307 1043,308 3.536,311 171.047,312 319.56,315 143.454,319 2.397,320 21.308,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 70.5,332 474,333 4.578,334 3.581,335 6.577,336 4.114,337 3.137,338 4.522,339 1.058,340 10.481,341 3.065,342 4.248,343 3.126,344 6.152,345 3.871,346 2.89,347 3.88,348 0.8,349 9.13,350 2.844,351 4.196,352 2.969,353 6.055,354 3.796,355 2.824,356 3.789,357 0.522,358 8.672,359 2.74,360 3.917,361 2.952,362 5.864,363 3.571,364 2.602,365 3.451,367 7.984,368 2.529,369 3.854,370 2.692,371 5.547,372 3.526,373 2.541,374 3.183,376 7.553,377 2.483,378 3.579,379 2.224,380 5.134,381 3.135,382 2.162,383 3.005,385 6.161,386 2.099,387 3.34,388 2.086,389 5.042,390 2.899,391 1.945,392 2.669,394 5.933,395 1.853,396 2.941,397 1.977,398 4.345,399 2.5,400 1.513,401 2.124,403 4.044,404 1.483,405 2.921,406 1.563,407 4.209,408 2.483,409 1.495,410 2.009,412 3.752,413 1.476,414 2.774,415 1.355,416 3.997,417 2.29,418 1.315,419 1.882,421 3.172,422 1.279,423 2.602,424 1.351,425 3.667,426 2.131,427 1.162,428 1.64,430 2.945,431 1.123,432 2.5,433 1.2,434 3.576,435 2,436 1.008,437 1.5,439 2.552,440 1,441 2.5,442 1,443 3.414,444 2,445 1,446 1.5,448 2.275,449 1,450 2.356,451 1,452 3.28,453 1.988,454 1,455 1.304,457 2.136,458 0.981,459 2.206,460 0.82,461 3.247,462 1.707,463 0.726,464 1.063,466 1.737,467 0.71,468 15.633,469 0.474,470 0.78,471 0.024,472 47.75,473 1.447,474 26.5,475 0.803,476 21.25,477 0.644,478 23.566,479 0.714,480 33.567,481 0.599,482 37.473,483 1.136,484 9.796,485 0.297,486 6.268,487 0.19,488 0.085,490 0.339,496 0.667,497 1.109,498 0.731,499 0.966,500 0.591,501 0.875,502 0.857,503 1.028,504 0.816,505 0.87,506 0.599,507 0.834,508 0.973,509 1.258,510 1.044,511 1.212,512 0.922,513 1.152,514 1.162,515 1.138,516 1.037,517 1.054,518 1.157,519 1.03,520 1.234,521 1.052,522 0.916,523 0.907,524 1.34,525 0.875,526 0.942,527 0.938,528 0.821,529 0.848,530 0.959,531 0.82,532 1.178,533 0.897,534 1.003,535 0.953,536 1.27,537 0.952,538 1.644,539 0.85,540 1.204,541 0.902,542 2.185,543 0.994,544 6.5,545 0.19,546 3.778,547 1.889,548 1.432,549 1.129,550 0.662,551 0.409,552 0.275,553 0.295,554 17605,555 44126,556 2.15,557 41.1,559 20,560 1,562 2,567 1.75,568 2.041,569 3.793,570 0.192,577 85.422,578 1.525,579 3.644,580 4.45,581 5.075,582 5.173,583 5.173,584 3.283,585 4.62,586 5.01,587 3.97,588 2096.28,589 8.763,590 32351.2,592 1,595 325.212,596 1.301,597 4.989,598 0.176,599 0.006,600 0.073,601 0.038,602 0.032,603 0.026,604 0.015,605 0.01,606 0.008,607 0.008,608 0.392,609 0.17,610 0.88,611 0.62,612 177.785,613 0.14,614 0.045,615 0.066,616 -0.002,617 -0.022,618 0.013,619 0.046,620 0.078,621 0.058,622 0.086,623 0.053,624 0.078,625 -0.071,626 -0.224,627 -0.142,628 -0.229,629 -0.03,630 -0.202,631 -0.066,632 -0.156,633 -0.034,634 -0.089,635 -0.025,636 -0.06,637 -0.04,638 -0.089,639 0.115,640 0.06,641 0.001,642 0.102,643 0.16,644 0.079,645 0.172,646 0.104,647 0.096,648 0.133,649 0.061,650 0.171,651 -0.047,652 -0.022,653 0.01,654 -0.046,655 -0.239,656 0.145,657 -0.222,658 0.069,659 -0.294,660 -0.055,661 1.87,662 5.771,663 0.788,664 41.752,665 1.002,666 1.125,667 3.732,668 13.927,669 0.689,670 3.638,671 3.97,672 4.248,673 4.5,674 4.7,675 4.828,676 4.997,677 5.106,678 5.242,679 5.38,680 8.218,681 0.662,682 437.55,683 3.638,684 5.187,685 6.043,686 6.919,687 7.789,688 8.669,689 9.546,690 10.43,691 11.311,692 12.197,693 12.5,699 1,700 1,701 2,703 3,708 2,709 13,710 3,711 1,714 6,715 1,716 27,723 1,730 1,735 56,737 28,738 3,739 37,741 60,742 25,743 21,744 6,745 12,746 1,748 5,749 6,762 22,763 3,767 1,772 1,776 1,783 23,784 6,785 2,786 8,792 7,797 0.8,798 1,807 1,815 2,816 3,819 1,843 4,847 2,851 33,858 1,860 1,864 1,871 1,874 1.8,877 1,881 16.167,882 10.75,883 7.139,884 3.145,886 4.95,887 1.587,888 1.03,889 5.738,890 13.381,891 3.961,892 4.6,893 5.223,894 5.827,895 6.328,896 6.682,897 7.161,898 7.586,899 7.959,900 8.376,901 0.9,902 50,903 12.136,905 5.162,906 7.667,907 23.184,909 18.946,911 2.167,912 71.5,915 1,916 247.193,917 168.481,918 89.441,920 25.145,923 168.481,924 272.338,925 89.441,926 16.793,927 20.116,928 122.762,929 79.716,930 43.679,931 11.771,932 235.422,934 247.193,935 257.922,936 25.145,939 247.193,940 25.145,943 45.785,944 162.271,945 49.867,947 247.193,948 114.586,949 168.481,952 247.193,953 28.926,954 144.456,955 34.674,956 75.011,957 247.193,958 114.586,959 168.481,961 0.585,962 0.34,963 0.177,964 0.092,965 26,966 11,967 0.1,968 6,969 1,970 1.077,971 4.552,972 305.59,973 0.077,974 26,975 156.465,981 21.074,982 8.985,983 4.556,984 1.567,985 96.146,986 25.283,987 12.892,988 2.929,991 4.958,992 1.81,993 34.674,994 530.26,995 51.5,1000 12.771,1004 -0.204,1007 56.109,1008 63.019,1009 0.263,1010 0.628,1011 0.766,1012 0.874,1013 0.891,1014 0.891,1015 5.186,1016 1.513,1017 6.023,1018 5.933,1019 4.654,1020 5.288,1021 1.557,1022 6.821,1023 4.606,1024 6.404,1025 1.495,1026 7.574,1027 4.044,1028 4.205,1029 5.037,1030 0.325,1031 7.673,1032 4.123,1033 7.71,1034 1.315,1035 9.221,1036 3.752,1037 6.24,1038 7.522,1039 1.415,1040 10.751,1041 6.145,1042 9.054,1043 1.162,1044 10.925,1045 3.172,1046 6.621,1047 8.134,1048 0.268,1049 12.429,1050 6.494,1051 10.429,1052 1.008,1053 12.665,1054 2.945,1055 8.103,1056 10.045,1057 1.416,1058 14.999,1059 7.962,1060 11.826,1061 1,1062 14.429,1063 2.552,1064 8.858,1065 11.076,1066 0.188,1067 17.021,1068 8.687,1069 13.241,1070 1,1071 16.211,1072 2.275,1073 10.113,1074 12.741,1075 1.465,1076 19.417,1077 9.928,1078 3.137,1079 0.726,1080 18.005,1081 2.136,1082 11.047,1083 13.99,1084 0.125,1085 21.595,1086 10.834,1087 2.89,1088 10.481,1089 19.81,1090 1.737,1091 12.208,1092 15.547,1093 1.534,1094 23.932,1095 11.978,1096 2.824,1097 9.13,1098 21.622,1099 4.522,1100 13.229,1101 16.912,1102 0.082,1103 26.185,1104 12.973,1105 2.602,1106 8.672,1107 23.441,1108 3.88,1109 14.353,1110 18.423,1111 1.613,1112 28.507,1113 14.078,1114 2.541,1115 7.984,1116 25.265,1117 3.789,1118 15.417,1119 19.85,1120 0.054,1121 30.798,1122 15.118,1123 2.162,1124 7.553,1125 27.094,1126 3.451,1127 16.529,1128 21.346,1129 1.698,1130 33.119,1131 16.209,1132 1.945,1133 6.161,1134 28.927,1135 3.183,1136 17.617,1137 22.806,1138 0.035,1139 35.431,1140 17.274,1141 16352,1142 26095,1143 25.255,1144 38.586,1145 56.656,1146 56.684,1147 56.736,1148 55.896,1149 55.843,1150 76.809,1151 4.76,1152 160.042,1153 54.518,1154 5.416,1155 5.581,1156 6.379,1157 5.156,1158 5.137,1159 7.522,1160 2.117,1161 17.287,1162 5.065,1163 13.783,1164 1.531,1165 1.532,1166 1.533,1167 1.511,1168 1.509,1169 2.076,1170 0.129,1171 4.325,1172 1.473,1173 4.133,1174 4.175,1175 4.103,1176 4.022,1177 7.429,1178 4.035,1179 3.95,1180 4.002,1181 3.898,1182 3.861,1183 5.14,1184 3.86,1185 3.934,1186 3.966,1187 3.879,1188 3.854,1189 5.027,1190 3.853,1191 3.774,1192 3.83,1193 3.726,1194 3.567,1195 4.742,1196 3.606,1197 3.51,1198 3.581,1199 3.42,1200 3.281,1201 4.719,1202 3.304,1203 3.367,1204 3.442,1205 3.26,1206 3.161,1207 4.326,1208 3.175,1209 3.159,1210 3.213,1211 3.056,1212 2.959,1213 4.18,1214 2.966,1215 3.03,1216 3.096,1217 2.903,1218 2.853,1219 3.907,1220 2.865,1221 0.124,1222 0.097,1223 0.178,1224 0.111,1225 0.085,1226 4.578,1227 0.122,1228 3.581,1229 0.029,1230 6.577,1231 0.283,1232 4.114,1233 0.083,1234 3.137,1235 4.522,1236 1.058,1237 10.481,1238 3.065,1239 1.952,1240 1.932,1241 2.046,1242 2.039,1243 1.185,1244 2.039,1245 1.916,1246 1.887,1247 2.028,1248 2.017,1249 1.152,1250 2.024,1251 1.905,1252 1.878,1253 2.002,1254 1.989,1255 1.118,1256 1.995,1257 1.486,1258 1.423,1259 1.727,1260 1.778,1261 0.79,1262 1.745,1263 1.448,1264 1.38,1265 1.617,1266 1.695,1267 0.759,1268 1.671,1269 1.37,1270 1.283,1271 1.53,1272 1.655,1273 0.545,1274 1.648,1275 1.213,1276 1.153,1277 1.417,1278 1.444,1279 0.469,1280 1.403,1281 0.992,1282 0.954,1283 1.335,1284 1.279,1285 0.43,1286 1.308,1287 4.317,1289 5.645,1290 3.045,1291 7.155,1292 5.352,1293 8.743,1294 7.402,1295 10.372,1297 3.924,1303 0.649,1305 2.935,1309 1.988,1314 37.079,1315 85.422,1316 204.087,1317 249.173,1318 284.192,1319 289.702,1320 289.702,1321 47.332,1322 8.431,1323 91.73,1324 91.73,1325 28,1326 12.73,1327 4.858,1328 3.954,1329 48.033,1330 160,1331 164,1332 0.143,1333 227.112,1334 376.23,1335 545.914,1336 64045,1338 22.786,1339 0.69,1340 0.556,1341 22.786,1342 18.357,1343 16.064,1344 0.434,1345 0.286,1346 10.428,1347 15.465,1348 10.129,1349 8.472,1350 16.064,1351 10.58,1352 14.645,1353 0.282,1354 0.154,1355 14.645,1356 8.013,1357 12.481,1358 0.181,1359 0.079,1360 12.481,1361 5.46,1362 10.302,1363 0.116,1364 0.041,1365 10.302,1366 3.64,1367 7.995,1368 0.073,1369 0.022,1370 7.995,1371 2.354,1372 0.229,1373 100.541,1374 0.199,1375 31.196,1376 0.376,1377 178,1378 494.627,1379 193.092,1380 491.291,1381 686.12,1382 460,1383 210,1384 527.913,1385 227.314,1386 538.604,1387 777.99,1388 504,1389 6}
{0 CHEMBL1992536,1 1.643,2 11.577,3 2.123,4 4.505,5 98.998,6 8.295,7 0.552,8 3.881,9 3.978,10 3.529,11 3.417,12 5.129,13 3.433,14 4.309,15 4.447,16 3.838,17 3.735,18 5.509,19 3.745,20 4.45,21 4.603,22 3.846,23 3.791,24 5.759,25 3.766,26 4.502,27 4.708,28 3.66,29 3.732,30 5.633,31 3.67,32 4.409,33 4.634,34 3.598,35 3.634,36 5.512,37 3.582,38 4.309,39 4.474,40 3.655,41 3.591,42 5.565,43 3.583,44 4.315,45 4.467,46 3.657,47 3.57,48 5.62,49 3.568,50 4.377,51 4.589,52 3.552,53 3.479,54 5.638,55 3.455,56 0.133,57 0.627,58 7.132,59 3.564,60 14.245,61 3.91,62 0.224,63 0.941,64 12.512,65 5.3,66 20.123,67 6.137,68 0.405,69 1.057,70 14.936,71 6.281,72 45.827,73 7.683,74 0.417,75 1.074,76 18.274,77 6.655,78 44.307,79 8.579,80 0.342,81 0.963,82 17.704,83 6.391,84 38.695,85 8.385,86 0.346,87 0.839,88 14.656,89 5.652,90 37.716,91 6.573,92 0.275,93 0.862,94 13.796,95 5.482,96 35.662,97 6.218,98 0.491,99 0.874,100 17.756,101 5.86,102 55.469,103 7.241,104 11,105 41,106 0.283,107 0.669,108 0.779,109 0.852,110 0.86,111 0.868,112 3.304,113 0.826,114 -2.18,115 -2.23,116 -2.2,119 45.2,124 1,125 1,138 2,142 7,143 2,144 2,145 1,152 1,156 2,168 1,172 6,175 6,180 2,183 6,187 1,188 8,191 2,192 1,193 2,196 4,200 4,203 2,212 1,213 3,216 1,218 3,224 1,225 4,230 7,238 2,243 6,246 2,249 1,253 2,254 1,255 2,258 6,263 1,267 2,268 1,272 8,276 1090,277 17.817,278 17.817,279 17.817,280 17.817,281 17.817,282 15.239,283 19.509,284 10.311,285 18.218,286 14.217,287 14.217,288 14.217,289 14.217,290 14.217,291 10.354,292 26.986,293 4.809,294 14.819,295 3.749,296 1.506,297 0.867,298 0.447,299 0.399,300 0.351,301 3.999,304 1,305 1,306 1,307 663,308 2.915,310 65.12,311 65.432,312 159.73,315 111.845,319 1.808,320 27.152,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 57,332 301,333 4.677,334 3.602,335 6.951,336 4.257,337 3.299,338 4.382,339 0.86,340 11.622,341 3.153,342 4.419,343 2.962,344 6.193,345 3.914,346 2.932,347 4.199,348 0.795,349 9.256,350 2.876,351 4.035,352 2.906,353 5.484,354 3.623,355 2.647,356 3.635,357 0.6,358 7.343,359 2.585,360 3.693,361 2.617,362 5.343,363 3.236,364 2.278,365 3.118,367 6.842,368 2.181,369 3.499,370 2.486,371 5.124,372 3.141,373 2.192,374 2.781,376 6.286,377 2.068,378 3.125,379 2.082,380 4.915,381 2.518,382 1.591,383 2.301,385 4.778,386 1.507,387 3.034,388 1.826,389 4.804,390 2.517,391 1.534,392 2.207,394 4.45,395 1.466,396 2.931,397 1.534,398 4.362,399 2.376,400 1.44,401 1.964,403 4.166,404 1.34,405 2.566,406 1.279,407 3.456,408 2.051,409 1.088,410 1.584,412 2.441,413 1.044,414 2.5,415 1.133,416 3.414,417 2,418 1,419 1.5,421 2.275,422 1,423 1.944,424 1.035,425 3.33,426 1.674,427 0.764,428 0.831,430 1.71,431 0.689,432 1.874,433 1,434 3.096,435 1.447,436 0.507,437 0.691,439 1.167,440 0.47,441 1.633,442 0.58,443 2.909,444 1.315,445 0.422,446 0.498,448 0.744,449 0.377,450 1.301,451 0.423,452 2.701,453 0.926,454 0.011,455 0.014,457 0.027,458 0.01,459 0.901,460 -0.104,461 2.321,462 0.522,463 -0.426,464 -0.522,466 -0.949,467 -0.4,468 12.1,469 0.465,470 0.606,471 0.023,472 36.5,473 1.404,474 19.5,475 0.75,476 17,477 0.654,478 17.379,479 0.668,480 26.9,481 0.64,482 26.245,483 1.009,484 7.625,485 0.293,486 5.027,487 0.193,488 0.096,490 0.372,496 0.948,497 1.061,498 0.731,499 0.913,500 0.996,501 0.804,502 1.038,503 1.182,504 0.807,505 0.943,506 0.784,507 0.841,508 0.73,509 1.212,510 0.975,511 1.167,512 0.564,513 1.134,514 0.882,515 1.068,516 1.099,517 1.053,518 0.857,519 1.103,520 0.826,521 0.807,522 0.869,523 0.872,524 0.949,525 0.869,526 1.279,527 0.953,528 0.935,529 0.928,530 1.425,531 0.88,532 1.365,533 1.3,534 1.072,535 1.232,536 1.653,537 1.122,538 1.25,539 0.796,540 0.992,541 0.88,542 1.56,543 0.885,544 5,545 0.124,546 3.111,547 2.007,548 1.293,549 0.872,550 0.571,551 0.457,552 0.302,553 0.162,554 8896,555 26216,556 2.124,557 38.1,559 12,561 1,562 3,567 1.688,568 2,569 3.496,570 0.974,571 1,572 1,577 69.012,578 1.643,579 3.886,580 4.525,581 4.946,582 4.993,583 5.041,584 2.969,585 4.056,586 4.671,587 3.653,588 1187.29,589 8.082,590 15226.3,591 1,592 1,594 1,595 226.477,596 1.37,597 4.637,598 0.172,599 0.007,600 0.08,601 0.054,602 0.043,603 0.03,604 0.018,605 0.015,606 0.012,607 0.008,608 0.44,609 0.33,610 1,611 0.721,612 128.852,613 -0.101,614 0.04,615 0.011,616 0.065,617 -0.176,618 0.059,619 -0.153,620 -0.11,621 0.022,622 0.018,623 -0.083,624 0.053,625 0.153,626 -0.166,627 -0.109,628 -0.207,629 0.249,630 -0.219,631 -0.036,632 -0.064,633 -0.137,634 -0.09,635 -0.041,636 -0.127,637 -0.003,638 0.165,639 0.135,640 0.112,641 -0.02,642 0.151,643 -0.124,644 0.005,645 0.023,646 0.062,647 -0.08,648 0.071,649 -0.2,650 -0.319,651 -0.142,652 -0.264,653 -0.156,654 -0.206,655 -0.003,656 0.147,657 0.078,658 0.079,659 -0.063,660 0.09,661 1.911,662 3.93,663 0.731,664 23.538,665 1.016,666 1.122,667 0.955,668 0.912,669 0.689,670 3.401,671 3.738,672 4.043,673 4.234,674 4.382,675 4.454,676 4.575,677 4.727,678 4.82,679 4.905,680 6.738,681 0.676,682 348.39,683 3.401,684 4.949,685 5.814,686 6.696,687 7.576,688 8.463,689 9.35,690 10.241,691 11.131,692 12.026,693 9.5,701 1,702 2,703 1,708 2,709 8,710 1,711 1,714 3,716 16,733 1,735 42,737 19,738 2,739 29,741 45,742 19,743 13,744 5,745 7,746 4,748 4,749 5,762 17,763 2,767 3,775 2,776 4,779 1,780 1,783 16,784 6,785 3,786 7,792 4,797 0.75,798 3,807 1,814 1,815 1,816 2,819 1,826 2,834 2,841 2,843 3,847 1,851 26,857 2,858 1,861 1,874 7.1,876 2,879 1,881 13,882 7.833,883 5.722,884 2.258,886 4.569,887 1.611,888 0.973,889 4.288,890 12.053,891 3.714,892 4.366,893 5.005,894 5.558,895 6.041,896 6.38,897 6.843,898 7.341,899 7.677,900 8.082,901 0.875,902 37,903 9.555,905 4.127,906 7.865,907 17.867,909 14.563,911 2.365,912 61.5,916 153.024,917 109.786,918 66.897,920 96.367,923 109.786,924 249.391,925 66.897,926 10.883,927 2.106,928 66.334,929 119.314,930 84.04,931 2.144,932 141.253,934 153.024,935 176.683,936 96.367,939 153.024,940 96.367,943 61.387,944 98.633,945 16.663,947 153.024,948 163.264,949 109.786,952 153.024,953 23.522,954 86.264,955 16.663,956 146.601,957 153.024,958 163.264,959 109.786,961 0.585,962 0.355,963 0.179,964 0.088,965 21,966 9,967 0.089,968 4,969 1,970 1.105,971 3.956,972 215.48,973 0.105,974 19,975 118.211,981 16.517,982 6.75,983 3.157,984 1.814,985 146.601,986 14.683,987 3.968,988 2.869,991 2.365,993 102.03,994 426.074,995 40,1003 8.778,1004 0.094,1007 42.691,1008 47.113,1009 0.305,1010 0.721,1011 0.839,1012 0.917,1013 0.926,1014 0.935,1015 4.949,1016 1.44,1017 5.802,1018 4.45,1019 4.419,1020 5.053,1021 1.496,1022 6.624,1023 4.34,1024 6.184,1025 1.088,1026 7.371,1027 4.166,1028 4.007,1029 4.868,1031 7.538,1032 3.892,1033 7.516,1034 1,1035 9.039,1036 2.441,1037 6.047,1038 7.33,1039 1.148,1040 10.694,1041 5.906,1042 8.889,1043 0.764,1044 10.767,1045 2.275,1046 6.509,1047 8.009,1049 12.485,1050 6.319,1051 10.296,1052 0.507,1053 12.535,1054 1.71,1055 7.99,1056 9.894,1057 0.879,1058 15.175,1059 7.782,1060 11.726,1061 0.422,1062 14.334,1063 1.167,1064 8.84,1065 10.974,1067 17.331,1068 8.578,1069 13.176,1070 0.011,1071 16.157,1072 0.744,1073 10.114,1074 12.619,1075 0.668,1076 19.87,1077 9.828,1078 3.299,1079 -0.426,1080 17.999,1081 0.027,1082 11.139,1083 13.894,1085 22.184,1086 10.801,1087 2.932,1088 11.622,1089 19.856,1090 -0.949,1091 12.339,1092 15.433,1093 0.505,1094 24.668,1095 11.968,1096 2.647,1097 9.256,1098 21.727,1099 4.382,1100 13.444,1101 16.802,1103 27.053,1104 13.022,1105 2.278,1106 7.343,1107 23.609,1108 4.199,1109 14.62,1110 18.295,1111 0.378,1112 29.515,1113 14.16,1114 2.192,1115 6.842,1116 25.499,1117 3.635,1118 15.762,1119 19.71,1121 31.934,1122 15.252,1123 1.591,1124 6.286,1125 27.398,1126 3.118,1127 16.934,1128 21.184,1129 0.281,1130 34.389,1131 16.381,1132 1.534,1133 4.778,1134 29.302,1135 2.781,1136 18.094,1137 22.622,1139 36.823,1140 17.492,1141 8366,1142 14493,1143 19.592,1144 28.955,1145 43.999,1146 44.442,1147 45.246,1148 43.39,1149 43.411,1150 59.409,1151 4.51,1152 126.211,1153 41.534,1154 5.536,1155 5.602,1156 6.505,1157 5.303,1158 5.299,1159 7.382,1160 1.72,1161 19.622,1162 5.153,1163 11.463,1164 1.517,1165 1.532,1166 1.56,1167 1.496,1168 1.497,1169 2.049,1170 0.156,1171 4.352,1172 1.432,1173 4.107,1174 4.147,1175 4.073,1176 3.999,1177 6.539,1178 4.011,1179 3.95,1180 3.977,1181 3.907,1182 3.862,1183 6.391,1184 3.865,1185 3.838,1186 3.855,1187 3.805,1188 3.723,1189 5.106,1190 3.745,1191 3.362,1192 3.427,1193 3.295,1194 3.165,1195 4.878,1196 3.188,1197 3.304,1198 3.355,1199 3.179,1200 3.081,1201 4.727,1202 3.095,1203 3.075,1204 3.16,1205 2.877,1206 2.837,1207 4.456,1208 2.83,1209 2.954,1210 3.015,1211 2.838,1212 2.815,1213 4.294,1214 2.811,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.971,1220 2.715,1221 0.161,1222 0.124,1223 0.24,1224 0.147,1225 0.114,1226 4.677,1227 0.151,1228 3.602,1229 0.03,1230 6.951,1231 0.401,1232 4.257,1233 0.109,1234 3.299,1235 4.382,1236 0.86,1237 11.622,1238 3.153,1239 1.957,1240 1.934,1241 2.034,1242 2.063,1243 1.16,1244 2.052,1245 1.905,1246 1.882,1247 2.009,1248 1.998,1249 1.138,1250 2.003,1251 1.751,1252 1.739,1253 1.789,1254 1.883,1255 0.901,1256 1.857,1257 1.31,1258 1.229,1259 1.58,1260 1.637,1261 0.621,1262 1.59,1263 1.255,1264 1.201,1265 1.464,1266 1.543,1267 0.524,1268 1.552,1269 1.072,1270 0.988,1271 1.375,1272 1.324,1273 0.407,1274 1.345,1275 1.002,1276 0.95,1277 1.181,1278 1.194,1279 0.23,1280 1.189,1281 0.886,1282 0.821,1283 1.164,1284 1.062,1285 0.218,1286 1.107,1287 4.078,1289 5.442,1290 2.398,1291 7.017,1292 4.595,1293 8.676,1294 6.581,1295 10.379,1297 1.61,1302 19.836,1303 0.358,1306 5.124,1314 28.391,1315 69.012,1316 163.216,1317 190.071,1318 207.722,1319 209.722,1320 211.722,1321 41.13,1322 7.484,1323 103.09,1324 103.09,1325 21,1326 12.553,1327 4.322,1328 3.585,1329 38.158,1330 103,1331 118,1332 0.176,1333 173.343,1334 299.09,1335 414.718,1336 19025,1338 18.096,1339 0.696,1340 0.537,1341 18.096,1342 13.97,1343 12.652,1344 0.436,1345 0.275,1346 7.843,1347 12.105,1348 7.664,1349 6.359,1350 12.652,1351 7.98,1352 11.284,1353 0.275,1354 0.142,1355 11.284,1356 5.812,1357 10.186,1358 0.182,1359 0.074,1360 10.186,1361 4.141,1362 7.925,1363 0.117,1364 0.038,1365 7.925,1366 2.609,1367 5.968,1368 0.076,1369 0.021,1370 5.968,1371 1.625,1372 0.28,1373 80,1374 0.226,1375 25.448,1376 0.471,1377 140,1378 439.303,1379 153.969,1380 425.322,1381 584.29,1382 398,1383 167,1384 434.635,1385 182.634,1386 441.968,1387 645.3,1388 414,1389 5.1}
{0 CHEMBL1992555,1 1.858,2 13.517,3 4.273,4 18.259,5 107.782,6 9.701,7 0.656,8 3.896,9 3.983,10 3.716,11 3.486,12 5.217,13 3.49,14 4.331,15 4.423,16 4.111,17 3.827,18 5.767,19 3.83,20 4.501,21 4.65,22 4.043,23 3.863,24 5.82,25 3.818,26 4.469,27 4.637,28 3.927,29 3.694,30 5.823,31 3.675,32 4.328,33 4.486,34 3.852,35 3.551,36 5.69,37 3.55,38 4.203,39 4.334,40 3.727,41 3.479,42 5.849,43 3.484,44 4.146,45 4.289,46 3.619,47 3.466,48 5.523,49 3.454,50 4.107,51 4.258,52 3.565,53 3.459,54 5.324,55 3.417,56 0.23,57 0.664,58 4.685,59 3.363,60 8.78,61 3.109,62 0.389,63 1.006,64 9.193,65 5.431,66 45.4,67 5.025,68 0.54,69 1.144,70 16.459,71 7.392,72 38.877,73 6.879,74 0.647,75 1.073,76 16.526,77 6.599,78 65.56,79 6.091,80 0.581,81 0.955,82 17.536,83 5.888,84 55.322,85 4.659,86 0.667,87 0.799,88 12.806,89 4.941,90 91.237,91 4.529,92 0.46,93 0.744,94 11.158,95 4.957,96 46.58,97 4.703,98 0.373,99 0.726,100 10.153,101 4.955,102 26.564,103 4.833,104 11,105 44,106 0.315,107 0.611,108 0.753,109 0.887,110 0.907,111 0.907,112 3.407,113 0.863,114 -3.94,115 -3.9,116 -3.69,119 45.2,142 10,143 1,144 1,146 1,152 2,153 1,155 1,158 1,162 1,166 2,168 1,172 8,174 1,175 8,178 2,180 3,183 7,187 2,188 12,193 4,196 4,199 1,200 11,203 2,205 4,208 2,212 1,213 6,216 1,218 3,221 2,224 4,225 5,228 2,230 1,233 3,237 3,238 5,241 1,246 7,250 2,253 1,254 1,258 6,263 1,264 4,272 4,276 1403,277 19.67,278 19.67,279 19.67,280 19.67,281 19.67,282 16.638,283 13.202,284 11.705,285 20.08,286 15.833,287 15.833,288 15.833,289 15.833,290 15.833,291 11.247,292 10.434,293 5.599,294 16.514,295 3.534,296 1.792,297 0.952,298 0.161,299 0.048,300 0.048,301 4.104,305 1,306 1,307 856,308 3.674,311 156.516,312 201.752,315 135.581,319 2.188,320 35.464,323 1,324 0.83,325 1,326 0.4,328 0.83,329 1,330 0.72,331 64.5,332 392,333 4.464,334 4.558,335 6.248,336 3.933,337 2.998,338 4.403,339 2.95,340 9.501,341 2.884,342 4.325,343 3.783,344 6.135,345 3.897,346 2.904,347 4.015,348 2.612,349 8.971,350 2.819,351 4.137,352 3.545,353 5.786,354 3.697,355 2.731,356 3.769,357 0.98,358 7.989,359 2.638,360 3.972,361 3.207,362 5.685,363 3.521,364 2.537,365 3.426,367 7.689,368 2.485,369 3.543,370 2.721,371 5.195,372 3.09,373 2.193,374 2.879,376 6.487,377 1.931,378 3.282,379 2.462,380 4.712,381 2.759,382 1.811,383 2.535,385 5.108,386 1.71,387 3.169,388 2.294,389 4.414,390 2.633,391 1.646,392 2.389,394 4.312,395 1.611,396 3.032,397 1.667,398 4.275,399 2.495,400 1.532,401 2.298,403 4.052,404 1.474,405 2.845,406 1.593,407 3.708,408 2.334,409 1.358,410 1.99,412 2.952,413 1.314,414 2.72,415 1.532,416 3.603,417 2.217,418 1.236,419 1.738,421 2.857,422 1.209,423 2.592,424 1.449,425 3.436,426 2,427 1,428 1.583,430 2.323,431 1,432 2.475,433 1.149,434 3.321,435 1.852,436 0.858,437 1.306,439 2.003,440 0.843,441 2.185,442 1,443 3.204,444 1.681,445 0.679,446 1.009,448 1.61,449 0.678,450 1.847,451 0.854,452 3,453 1.295,454 0.347,455 0.521,457 0.86,458 0.328,459 1.184,460 0.527,461 2.828,462 0.819,463 -0.113,464 -0.137,466 -0.306,467 -0.1,468 13.667,469 0.471,470 0.677,471 0.023,472 43.5,473 1.5,474 24.5,475 0.845,476 19,477 0.655,478 17.973,479 0.62,480 29.533,481 0.703,482 32.096,483 1.107,484 8.901,485 0.307,486 5.18,487 0.179,488 0.073,490 0.322,496 0.572,497 0.954,498 0.635,499 0.777,500 0.531,501 0.74,502 0.623,503 1.253,504 0.749,505 1.157,506 0.476,507 1.007,508 0.948,509 1.145,510 1.166,511 1.124,512 0.706,513 1.079,514 1.171,515 1.098,516 1.076,517 0.971,518 1.238,519 1.008,520 1.458,521 1.052,522 1.389,523 1.094,524 1.294,525 0.897,526 0.865,527 0.878,528 1.088,529 0.999,530 0.834,531 0.978,532 1.086,533 0.745,534 0.972,535 0.889,536 0.903,537 0.953,538 0.957,539 0.876,540 0.929,541 1.005,542 0.655,543 1.11,544 6,545 0.114,546 2.667,547 2.111,548 0.889,549 0.98,550 0.331,551 0.288,552 0.172,553 0.165,554 13170,555 46040,556 2.111,557 31,559 10,561 1,562 2,567 1.711,568 2,569 3.725,570 0.33,572 1,577 78.051,578 1.858,579 3.6,580 4.441,581 5.231,582 5.345,583 5.345,584 3.125,585 4.375,586 4.833,587 3.931,588 1595.81,589 8.368,590 23463.9,592 1,594 1,595 226.477,596 1.314,597 4.8,598 0.188,599 0.005,600 0.061,601 0.053,602 0.025,603 0.031,604 0.011,605 0.01,606 0.007,607 0.008,608 0.398,609 0.33,610 1,611 0.674,612 152.174,613 0.097,614 0.128,615 0.043,616 0.1,617 -0.04,618 0.046,619 0.144,620 -0.216,621 0.07,622 -0.206,623 0.152,624 -0.163,625 -0.085,626 -0.134,627 -0.091,628 -0.068,629 0.021,630 -0.096,631 -0.123,632 -0.096,633 -0.041,634 0.004,635 -0.147,636 -0.03,637 -0.29,638 0.007,639 -0.15,640 0.008,641 -0.197,642 0.063,643 0.296,644 0.109,645 -0.118,646 -0.03,647 0.363,648 -0.06,649 -0.037,650 0.194,651 -0.076,652 0.05,653 -0.022,654 0.011,655 -0.069,656 0.045,657 -0.03,658 -0.049,659 -0.044,660 -0.103,661 2.565,662 5.047,663 0.69,664 30.97,665 1.034,666 1.117,667 2.711,668 7.35,669 0.727,670 3.497,671 3.807,672 4.043,673 4.277,674 4.407,675 4.431,676 4.533,677 4.575,678 4.595,679 4.682,680 8.163,681 0.72,682 407.44,683 3.497,684 5.03,685 5.866,686 6.73,687 7.58,688 8.445,689 9.301,690 10.166,691 11.025,692 11.891,693 11.9,700 1,701 1,702 1,703 1,704 1,708 2,709 10,710 1,711 1,712 1,714 5,716 21,729 1,735 42,737 25,738 2,739 32,741 45,742 19,743 17,744 4,745 8,746 2,748 4,749 5,751 1,762 19,767 4,769 1,772 3,774 1,775 1,776 1,780 1,782 1,783 13,784 7,785 2,786 10,787 1,789 1,792 5,797 0.75,798 4,815 2,816 2,819 1,843 3,844 1,845 1,851 29,860 1,862 1,874 9.5,877 1,879 1,880 2,881 14.5,882 7.6,883 6.333,884 2.271,886 4.733,887 1.617,888 1.01,889 5.534,890 12.406,891 3.861,892 4.489,893 5.063,894 5.647,895 6.075,896 6.342,897 6.727,898 7.043,899 7.203,900 7.61,901 0.889,902 40,903 10.642,905 4.588,906 8.075,907 19.509,909 15.614,911 2.575,912 74.667,915 1,916 129.482,917 160.921,918 73.792,920 85.399,922 32.22,923 128.701,924 214.881,925 73.792,926 5.67,927 17.888,928 94.762,929 67.454,930 55.549,931 7.593,932 149.931,933 50.747,934 129.482,935 202.493,936 85.399,937 32.22,939 129.482,940 34.652,941 50.747,943 57.988,944 113.002,945 31.503,946 32.22,947 129.482,948 159.192,949 160.921,952 129.482,953 57.111,954 109.48,955 34.674,956 118.848,957 129.482,958 159.192,959 160.921,961 0.58,962 0.332,963 0.174,964 0.09,965 21,966 9,967 0.133,968 6,969 1,970 1.1,971 4.286,972 240.937,973 0.1,974 20,975 138.881,977 1,981 19.086,982 8.409,983 4.605,984 1.805,985 136.736,986 16.563,987 4.464,988 3.195,989 5.635,991 1.707,993 34.674,994 449.594,995 46.5,997 -0.565,1000 33.611,1002 1.345,1003 3.827,1004 -0.562,1007 43.429,1008 46.91,1009 0.345,1010 0.668,1011 0.823,1012 0.97,1013 0.991,1014 0.991,1015 5.07,1016 1.532,1017 5.838,1018 4.312,1019 4.489,1020 5.176,1021 3.451,1022 6.603,1023 4.411,1024 6.291,1025 1.358,1026 7.367,1027 4.052,1028 4.007,1029 4.977,1030 2.361,1031 7.372,1032 3.885,1033 7.597,1034 1.236,1035 8.991,1036 2.952,1037 6.043,1038 7.414,1039 5.38,1040 10.433,1041 5.889,1042 8.939,1043 1,1044 10.67,1045 2.857,1046 6.382,1047 8.065,1048 4.506,1049 12.02,1050 6.193,1051 10.31,1052 0.858,1053 12.383,1054 2.323,1055 7.864,1056 9.935,1057 7.44,1058 14.554,1059 7.646,1060 11.703,1061 0.679,1062 14.12,1063 2.003,1064 8.582,1065 10.989,1066 6.556,1067 16.486,1068 8.33,1069 13.112,1070 0.347,1071 15.873,1072 1.61,1073 9.832,1074 12.622,1075 9.54,1076 18.824,1077 9.55,1078 2.998,1079 -0.113,1080 17.638,1081 0.86,1082 10.731,1083 13.876,1084 8.548,1085 20.911,1086 10.416,1087 2.904,1088 9.501,1089 19.412,1090 -0.306,1091 11.878,1092 15.404,1093 11.658,1094 23.174,1095 11.532,1096 2.731,1097 8.971,1098 21.193,1099 4.403,1100 12.865,1101 16.758,1102 10.509,1103 25.333,1104 12.484,1105 2.537,1106 7.989,1107 22.979,1108 4.015,1109 13.968,1110 18.242,1111 13.789,1112 27.569,1113 13.555,1114 2.193,1115 7.689,1116 24.77,1117 3.769,1118 14.998,1119 19.647,1120 12.452,1121 29.762,1122 14.549,1123 1.811,1124 6.487,1125 26.564,1126 3.426,1127 16.083,1128 21.114,1129 15.928,1130 31.99,1131 15.6,1132 1.646,1133 5.108,1134 28.362,1135 2.879,1136 17.135,1137 22.545,1138 14.386,1139 34.201,1140 16.616,1141 12345,1142 23281,1143 21.671,1144 30.54,1145 48.491,1146 51.577,1147 48.601,1148 47.769,1149 47.661,1150 67.724,1151 13.084,1152 133.428,1153 45.849,1154 5.251,1155 6.558,1156 5.931,1157 5.109,1158 4.998,1159 7.403,1160 5.9,1161 15.783,1162 4.884,1163 12.648,1164 1.515,1165 1.612,1166 1.519,1167 1.493,1168 1.489,1169 2.116,1170 0.409,1171 4.17,1172 1.433,1173 4.095,1174 4.132,1175 4.169,1176 3.987,1177 7.815,1178 3.992,1179 3.997,1180 4.022,1181 3.963,1182 3.874,1183 7.429,1184 3.885,1185 3.885,1186 3.891,1187 3.904,1188 3.758,1189 6.999,1190 3.764,1191 3.565,1192 3.591,1193 3.57,1194 3.275,1195 5.109,1196 3.28,1197 3.384,1198 3.437,1199 3.468,1200 3.178,1201 5.016,1202 3.224,1203 3.323,1204 3.382,1205 3.257,1206 2.992,1207 4.676,1208 3.057,1209 3.021,1210 3.059,1211 3.018,1212 2.863,1213 4.554,1214 2.866,1215 2.911,1216 2.978,1217 2.818,1218 2.777,1219 4.325,1220 2.77,1221 0.139,1222 0.142,1223 0.195,1224 0.123,1225 0.094,1226 4.464,1227 0.138,1228 4.558,1229 0.092,1230 6.248,1231 0.297,1232 3.933,1233 0.09,1234 2.998,1235 4.403,1236 2.95,1237 9.501,1238 2.884,1239 1.925,1240 1.903,1241 2.014,1242 2.088,1243 1.097,1244 2.05,1245 1.91,1246 1.881,1247 2.01,1248 2.006,1249 1.093,1250 2.01,1251 1.562,1252 1.527,1253 1.684,1254 1.795,1255 0.753,1256 1.737,1257 1.46,1258 1.451,1259 1.475,1260 1.659,1261 0.539,1262 1.633,1263 1.289,1264 1.258,1265 1.399,1266 1.636,1267 0.368,1268 1.573,1269 1.207,1270 1.165,1271 1.297,1272 1.473,1273 0.277,1274 1.457,1275 1.081,1276 1.047,1277 1.237,1278 1.398,1279 0.213,1280 1.34,1281 0.946,1282 0.893,1283 1.127,1284 1.13,1285 0.189,1286 1.133,1287 4.174,1289 5.485,1290 3.045,1291 6.967,1292 5.352,1293 8.525,1294 7.391,1295 10.125,1305 2.313,1307 1.329,1314 30.261,1315 78.051,1316 151.204,1317 186.503,1318 219.722,1319 224.477,1320 224.477,1321 52,1322 7.672,1323 129.1,1324 154.4,1325 22,1326 12.438,1327 4.7,1328 3.954,1329 45.175,1330 145,1331 111,1332 0.149,1333 189.41,1334 321.21,1335 453.92,1336 26761,1338 20.217,1339 0.697,1340 0.536,1341 20.571,1342 15.55,1343 14.081,1344 0.44,1345 0.288,1346 8.309,1347 12.951,1348 8.13,1349 6.738,1350 14.489,1351 9.203,1352 12.762,1353 0.29,1354 0.155,1355 13.457,1356 6.818,1357 10.43,1358 0.186,1359 0.083,1360 11.115,1361 4.651,1362 8.53,1363 0.12,1364 0.046,1365 9.359,1366 3.281,1367 6.457,1368 0.08,1369 0.027,1370 7.356,1371 2.158,1372 0.245,1373 93.629,1374 0.215,1375 28.431,1376 0.378,1377 152,1378 559.404,1379 199.715,1380 555.457,1381 746.11,1382 514,1383 176,1384 540.186,1385 215.724,1386 551.431,1387 798.32,1388 517,1389 5.1}
{0 CHEMBL1992634,1 1.498,2 6.313,3 3.299,4 10.884,5 67.699,6 10.926,7 0.889,8 3.348,9 3.448,10 3.262,11 3.069,12 4.484,13 3.027,14 3.797,15 3.919,16 3.686,17 3.463,18 4.903,19 3.394,20 3.988,21 4.16,22 3.702,23 3.503,24 5.012,25 3.396,26 3.884,27 4.077,28 3.529,29 3.376,30 4.858,31 3.259,32 3.819,33 4.027,34 3.629,35 3.264,36 4.798,37 3.124,38 3.658,39 3.889,40 3.279,41 3.042,42 4.61,43 2.862,44 3.29,45 3.525,46 3.033,47 2.685,48 4.21,49 2.45,50 2.69,51 2.945,52 2.334,53 2.051,54 3.486,55 1.751,56 0.011,57 0.318,58 1.526,59 1.767,60 3.544,61 2.183,62 0.047,63 0.516,64 2.959,65 3.022,66 5.91,67 3.737,68 0.076,69 0.605,70 16.998,71 4.858,72 10.29,73 5.733,74 0.056,75 0.572,76 6.983,77 4.005,78 8.934,79 4.973,80 0.072,81 0.523,82 9.364,83 4.144,84 9.977,85 5.093,86 0.081,87 0.452,88 17.302,89 4.161,90 11.462,91 4.634,92 0.065,93 0.297,94 15.357,95 3.216,96 8.949,97 3.443,98 0.042,99 0.147,100 13.321,101 2.149,102 5.463,103 2.255,104 2,105 25,106 0.292,107 0.582,108 0.732,109 0.821,110 0.843,111 0.843,112 2.855,113 0.97,114 -4.48,115 -4.41,116 -4.15,117 1,119 52,142 6,143 3,144 1,145 1,151 1,161 1,172 9,175 1,178 1,180 2,183 11,188 3,193 2,196 9,200 1,205 2,208 6,213 2,218 3,221 4,225 2,230 1,233 3,238 1,246 2,258 1,276 242,277 11.069,278 11.069,279 11.069,280 11.069,281 11.069,282 9.199,283 1.644,284 6.624,285 11.348,286 8.909,287 8.909,288 8.909,289 8.909,290 8.909,291 6.186,292 0.676,293 3.166,294 9.426,295 3.145,296 1.66,297 0.891,298 0.43,299 0.32,300 0.32,301 3.533,305 1,306 1,307 221,308 1.581,311 27.787,312 76.123,315 52.447,319 0.977,320 6.185,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 32.75,332 101,333 4.607,334 3.2,335 6.716,336 4.145,337 3.166,338 4.552,340 10.933,341 3.104,342 3.945,343 2.788,344 5.754,345 3.491,346 2.529,347 3.531,349 7.785,350 2.432,351 3.554,352 2.394,353 4.962,354 3.011,355 2.141,356 2.981,358 5.833,359 1.783,360 3.217,361 1.745,362 4.632,363 2.705,364 1.739,365 2.554,367 4.646,368 1.636,369 2.817,370 1.345,371 4.026,372 2.308,373 1.336,374 1.966,376 3.326,377 1.291,378 2.563,379 1.112,380 3.499,381 2.028,382 1.073,383 1.594,385 2.587,386 1.009,387 2.5,388 1,389 3.247,390 2,391 1,392 1.5,394 2.136,395 1,396 2.052,397 0.677,398 3.202,399 1.499,400 0.58,401 0.845,403 1.421,404 0.514,405 1.037,406 0.137,407 2.378,408 0.519,409 -0.315,410 -0.403,412 -0.737,413 -0.183,414 0.718,415 -0.651,416 2.356,417 0.233,418 -0.718,419 -0.981,421 -1.694,422 -0.643,423 0.573,424 -0.874,425 2,426 0.034,427 -0.909,428 -1.342,430 -2.347,431 -0.838,432 0.5,433 -1,434 1.822,436 -1,437 -1.5,439 -2.704,440 -1,441 0.057,442 -1.08,443 1.555,444 -0.469,445 -1.274,446 -1.723,448 -3.098,449 -1.016,450 -0.077,451 -1.492,452 1.122,453 -0.639,454 -1.511,455 -2.131,457 -4.578,458 -1.44,459 -0.42,460 -1.875,461 1.031,462 -0.927,463 -1.889,464 -2.6,466 -4.789,467 -1.795,468 8.633,469 0.54,470 0.329,471 0.021,472 24,473 1.5,474 14,475 0.875,476 10,477 0.625,478 9.841,479 0.615,480 14.767,481 0.591,482 12.372,483 0.773,484 4.589,485 0.287,486 3.254,487 0.203,488 0.154,490 0.29,496 0.827,497 0.994,498 0.451,499 0.622,500 0.823,501 0.677,502 0.781,503 0.943,504 0.566,505 0.729,506 0.843,507 0.829,508 0.838,509 1.151,510 0.967,511 1.107,512 0.861,513 1.055,514 0.945,515 0.995,516 0.543,517 0.79,518 1,519 0.949,520 0.779,521 1.1,522 0.767,523 0.941,524 0.782,525 0.996,526 1.362,527 0.959,528 1.338,529 1.125,530 1.221,531 1.08,532 1.523,533 0.882,534 1.901,535 1.358,536 1.457,537 1.216,538 1.537,539 0.762,540 2.692,541 1.752,542 1.52,543 1.369,544 2.5,546 1.778,547 0.944,548 0.689,549 0.344,550 0.161,551 0.071,552 0.02,554 1967,555 5856,556 2.174,557 36,559 6,560 1,561 1,562 1,567 1.554,568 2.087,569 2.734,570 -0.291,574 1,577 37.461,578 1.498,579 2.983,580 3.753,581 4.214,582 4.324,583 4.324,584 2.18,585 3.453,586 3.975,587 2.778,588 333.356,589 6.705,590 2795.9,592 1,594 1,595 116.096,596 1.198,597 3.954,598 0.139,600 0.071,601 0.041,602 0.036,603 0.022,604 0.015,605 0.012,606 0.01,608 0.346,609 0.83,610 1,611 0.5,612 62.976,613 -0.072,614 -0.02,615 -0.002,616 0.025,617 -0.124,618 0.037,619 0.041,620 0.036,621 -0.004,622 -0.015,623 -0.07,624 -0.067,625 0.064,626 -0.211,627 -0.068,628 -0.194,629 0.062,630 -0.133,631 -0.097,632 -0.019,633 0.031,634 0.034,635 -0.136,636 -0.033,637 0.16,638 -0.142,639 0.078,640 0.008,641 0.154,642 -0.005,643 -0.199,644 0.031,645 -0.091,646 -0.007,647 -0.061,648 -0.014,649 -0.269,650 0.069,651 -0.156,652 -0.043,653 -0.195,654 -0.065,655 -0.257,656 0.099,657 -0.309,658 -0.147,659 -0.206,660 -0.045,661 0.748,662 1.324,663 0.938,664 8.016,665 0.999,666 1.1,667 3.251,668 10.567,669 0.776,670 2.944,671 3.258,672 3.555,673 3.85,674 4.06,675 4.06,676 4.111,677 4.159,678 3.989,679 3.85,680 3.923,681 0.727,682 273.14,683 2.944,684 4.466,685 5.323,686 6.205,687 7.084,688 7.974,689 8.862,690 9.756,691 10.647,692 11.542,693 8,701 1,703 1,708 2,709 8,710 1,711 1,714 3,716 16,734 1,735 25,737 16,738 1,739 18,740 1,741 27,742 13,743 13,744 1,745 5,748 3,749 4,762 13,780 1,783 9,784 1,785 1,786 3,787 1,792 2,797 0.667,809 1,811 1,815 1,816 2,819 1,843 2,846 1,851 16,873 1,881 7.667,882 4.51,883 3.5,884 1.43,886 3.153,887 1.499,888 1.069,889 2.351,890 9.478,891 3.296,892 3.966,893 4.638,894 5.307,895 5.868,896 6.186,897 6.616,898 7.036,899 7.163,900 7.419,901 1,902 23,903 5.858,905 2.466,906 7.536,907 11.343,909 9.346,911 2.036,912 32.583,913 0.004,916 94.169,917 88.667,918 79.525,923 134.621,924 94.169,925 33.571,928 65.905,929 30.272,930 37.832,931 11.771,932 70.627,933 45.954,934 94.169,935 122.238,938 45.954,939 94.169,943 27.548,944 77.904,945 16.786,946 45.954,947 94.169,948 33.571,949 134.621,952 94.169,953 13.715,954 74.952,955 62.74,956 16.786,957 94.169,958 33.571,959 134.621,961 0.577,962 0.339,963 0.194,964 0.11,965 14,966 5,967 0.037,968 1,969 1,970 1.133,971 2.895,972 113.401,973 0.133,974 15,975 60,981 9.761,982 3.853,983 1.72,984 2.058,985 16.786,986 16.187,987 4.324,988 3.182,991 3.384,993 16.786,994 262.361,995 26,1007 24.967,1008 27.499,1009 0.323,1010 0.642,1011 0.808,1012 0.907,1013 0.931,1014 0.931,1015 4.489,1016 0.58,1017 5.293,1018 2.136,1019 3.932,1020 4.649,1022 6.107,1023 3.834,1024 5.714,1025 -0.315,1026 6.845,1027 1.421,1028 3.434,1029 4.407,1031 7.018,1032 3.245,1033 7.026,1034 -0.718,1035 8.502,1036 -0.737,1037 5.509,1038 6.953,1040 10.158,1041 5.357,1042 8.382,1043 -0.909,1044 10.226,1045 -1.694,1046 5.889,1047 7.618,1049 11.967,1050 5.694,1051 9.773,1052 -1,1053 11.994,1054 -2.347,1055 7.407,1056 9.571,1058 14.611,1059 7.224,1060 11.192,1061 -1.274,1062 13.792,1063 -2.704,1064 8.2,1065 10.678,1067 16.77,1068 7.999,1069 12.631,1070 -1.511,1071 15.614,1072 -3.098,1073 9.489,1074 12.376,1076 19.25,1077 9.285,1078 3.166,1079 -1.889,1080 17.452,1081 -4.578,1082 10.477,1083 13.7,1085 21.548,1086 10.259,1087 2.529,1088 10.933,1089 19.304,1090 -4.789,1091 11.675,1092 15.288,1094 23.971,1095 11.447,1096 2.141,1097 7.785,1098 21.165,1099 4.552,1100 12.752,1101 16.715,1103 26.324,1104 12.509,1105 1.739,1106 5.833,1107 23.034,1108 3.531,1109 13.915,1110 18.258,1112 28.726,1113 13.659,1114 1.336,1115 4.646,1116 24.91,1117 2.981,1118 15.032,1119 19.733,1121 31.102,1122 14.76,1123 1.073,1124 3.326,1125 26.791,1126 2.554,1127 16.185,1128 21.258,1130 33.497,1131 15.896,1132 1,1133 2.587,1134 28.675,1135 1.966,1136 17.319,1137 22.754,1139 35.882,1140 17.014,1141 1917,1142 3392,1143 12.425,1144 19.409,1145 27.398,1146 27.315,1147 27.635,1148 27.352,1149 27.125,1150 39.047,1152 77.335,1153 25.538,1154 5.25,1155 5.2,1156 6.518,1157 5.189,1158 5.166,1159 7.552,1161 18.059,1162 5.104,1163 4.554,1164 1.522,1165 1.518,1166 1.535,1167 1.52,1168 1.507,1169 2.169,1171 4.296,1172 1.419,1173 4.129,1174 4.163,1175 6.88,1176 4.046,1177 5.066,1178 4.05,1179 3.82,1180 3.855,1181 4.069,1182 3.754,1183 4.725,1184 3.746,1185 3.379,1186 3.424,1187 3.734,1188 3.314,1189 4.34,1190 3.28,1191 2.919,1192 2.983,1193 3.138,1194 2.764,1195 3.925,1196 2.768,1197 2.854,1198 2.925,1199 2.808,1200 2.735,1201 3.674,1202 2.715,1203 2.674,1204 2.748,1205 2.687,1206 2.52,1207 3.551,1208 2.519,1209 2.387,1210 2.435,1211 2.542,1212 2.341,1213 3.312,1214 2.277,1215 2.044,1216 2.165,1217 2.118,1218 1.858,1219 2.821,1220 1.784,1221 0.256,1222 0.178,1223 0.373,1224 0.23,1225 0.176,1226 4.607,1227 0.253,1228 3.2,1230 6.716,1231 0.607,1232 4.145,1233 0.172,1234 3.166,1235 4.552,1237 10.933,1238 3.104,1239 1.952,1240 1.932,1241 2.042,1242 2.017,1243 1.164,1244 2.026,1245 1.804,1246 1.772,1247 1.861,1248 1.936,1249 0.965,1250 1.927,1251 1.421,1252 1.361,1253 1.576,1254 1.623,1255 0.599,1256 1.62,1257 1.024,1258 0.991,1259 1.181,1260 1.139,1261 0.281,1262 1.161,1263 0.886,1264 0.821,1265 1.142,1266 1.062,1267 0.218,1268 1.107,1269 0.688,1270 0.629,1271 0.965,1272 0.876,1273 0.049,1274 0.909,1275 0.535,1276 0.458,1277 0.792,1278 0.745,1280 0.779,1283 0.381,1284 0.133,1286 0.23,1287 3.611,1289 4.92,1290 2.398,1291 6.438,1292 4.727,1293 8.048,1294 6.843,1295 9.708,1296 3.447,1314 18.175,1315 37.461,1316 74.587,1317 93.832,1318 105.342,1319 108.096,1320 108.096,1321 13.888,1322 6.324,1323 28.68,1324 28.68,1325 17,1326 12.068,1327 4.087,1328 3.17,1329 21.701,1330 37,1331 34,1332 0.302,1333 118.301,1334 186.48,1335 280.415,1336 3820,1337 4,1338 10.958,1339 0.685,1340 0.627,1341 11.958,1342 10.03,1343 7.843,1344 0.436,1345 0.323,1346 5.039,1347 7.147,1348 4.88,1349 4.043,1350 8.421,1351 5.818,1352 6.981,1353 0.279,1354 0.181,1355 7.798,1356 4.534,1357 5.986,1358 0.176,1359 0.089,1360 6.511,1361 3.016,1362 5.139,1363 0.112,1364 0.047,1365 5.577,1366 2.166,1367 4.231,1368 0.074,1369 0.027,1370 4.812,1371 1.526,1372 0.444,1373 56.34,1374 0.284,1375 15.824,1376 0.915,1377 86,1378 218.632,1379 155.368,1380 258.489,1381 352.89,1382 242,1383 102,1384 241.17,1385 135.202,1386 261.395,1387 382.1,1388 247,1389 6.6}
{0 CHEMBL1992645,1 1.853,2 17.821,3 5.54,4 30.686,5 149.515,6 9.306,7 0.571,8 4.227,9 4.303,10 4.097,11 3.864,12 5.484,13 3.827,14 4.707,15 4.804,16 4.406,17 4.241,18 6.21,19 4.188,20 4.98,21 5.127,22 4.49,23 4.357,24 6.298,25 4.289,26 5.032,27 5.188,28 4.421,29 4.288,30 6.498,31 4.223,32 4.995,33 5.178,34 4.417,35 4.236,36 6.274,37 4.163,38 4.98,39 5.153,40 4.355,41 4.155,42 6.583,43 4.098,44 4.809,45 4.965,46 4.234,47 4.048,48 6.206,49 4.009,50 4.729,51 4.87,52 4.25,53 4.028,54 6.264,55 3.99,56 0.281,57 0.931,58 10.607,59 5.935,60 34.81,61 5.69,62 0.589,63 1.458,64 18.651,65 10.173,66 92.67,67 10.163,68 0.738,69 1.903,70 33.872,71 14.114,72 108.116,73 13.844,74 1.117,75 1.875,76 33.873,77 13.658,78 181.625,79 13.366,80 0.909,81 1.751,82 36.293,83 13.788,84 135.106,85 14.539,86 1.359,87 1.703,88 37.956,89 13.365,90 242.594,91 13.593,92 0.931,93 1.512,94 31.155,95 11.328,96 159.211,97 10.076,98 0.894,99 1.4,100 25.878,101 10.111,102 159.767,103 9.266,104 51,105 59,106 0.292,107 0.579,108 0.702,109 0.823,110 0.853,111 0.853,112 3.692,113 0.997,114 -5.05,115 -4.95,116 -4.64,119 44.3,125 2,142 15,143 3,144 6,158 1,166 2,172 14,174 2,175 2,178 3,180 4,183 19,188 9,191 1,193 9,196 18,199 2,200 9,203 2,205 3,208 9,212 2,213 9,216 1,218 4,221 9,224 4,225 7,228 4,229 1,230 3,233 9,237 1,238 7,243 2,246 8,249 2,250 10,253 1,254 1,255 3,258 10,264 18,269 3,272 7,276 3531,277 25.678,278 25.678,279 25.678,280 25.678,281 25.678,282 22.083,283 21.593,284 15.001,285 26.262,286 20.682,287 20.682,288 20.682,289 20.682,290 20.682,291 15.237,292 22.017,293 7.109,294 21.653,295 4.078,296 2.262,297 1.477,298 0.713,299 0.525,300 0.525,301 4.382,306 1,307 1484,308 4.637,312 642.825,319 3.047,320 70.916,323 0.75,324 0.5,325 0.67,326 0.3,328 0.67,329 1,330 0.55,331 87,332 695,333 4.868,334 4.691,335 7.316,336 4.334,337 3.41,338 4.721,339 2.95,340 12.548,341 3.135,342 4.366,343 4.406,344 6.407,345 3.925,346 2.943,347 4.06,348 2.612,349 9.771,350 2.908,351 4.284,352 3.799,353 6.167,354 3.877,355 2.894,356 3.943,357 0.98,358 9.117,359 2.821,360 4.034,361 3.527,362 5.98,363 3.653,364 2.654,365 3.614,366 0.4,367 8.399,368 2.634,369 4.011,370 2.966,371 5.412,372 3.557,373 2.618,374 3.561,376 7.154,377 2.455,378 3.678,379 2.842,380 5.047,381 3.242,382 2.292,383 3.086,385 6.099,386 2.162,387 3.566,388 2.72,389 4.92,390 3.03,391 2.124,392 2.983,394 5.697,395 1.939,396 3.425,397 2.678,398 4.892,399 2.959,400 2.001,401 2.708,403 5.353,404 1.877,405 3.164,406 2.514,407 4.886,408 2.729,409 1.75,410 2.386,412 5.151,413 1.703,414 3.057,415 2.064,416 4.392,417 2.56,418 1.569,419 2.247,421 4.254,422 1.545,423 2.643,424 1.786,425 3.991,426 2.296,427 1.361,428 1.631,430 3.117,431 1.255,432 2.615,433 1.449,434 3.653,435 2.124,436 1.117,437 1.6,439 2.958,440 1.115,441 2.5,442 1.426,443 3.576,444 2,445 1,446 1.5,448 2.42,449 1,450 2.5,451 1.137,452 3.414,453 2,454 1,455 1.5,457 2.275,458 1,459 2.5,460 1,461 3.414,462 2,463 1,464 1.5,466 2.275,467 1,468 18.652,469 0.478,470 1.139,471 0.029,472 56.75,473 1.455,474 33,475 0.846,476 23.75,477 0.609,478 29.49,479 0.756,480 41.348,481 0.678,482 51.074,483 1.31,484 11.14,485 0.286,486 7.479,487 0.192,488 0.123,489 0.045,490 0.29,494 1,496 0.506,497 0.931,498 0.74,499 0.957,500 0.616,501 0.808,502 0.522,503 1.044,504 0.953,505 1.079,506 0.496,507 1.019,508 0.892,509 1.121,510 1.154,511 1.206,512 0.819,513 1.081,514 1.014,515 1.017,516 1.126,517 1.078,518 0.995,519 1.121,520 0.814,521 0.89,522 0.907,523 1.04,524 0.923,525 0.997,526 0.917,527 0.84,528 1.054,529 0.952,530 0.979,531 0.926,532 1.367,533 1.006,534 1.166,535 1.008,536 1.416,537 0.932,538 1.081,539 0.98,540 0.906,541 0.878,542 1.085,543 0.951,544 9.5,545 0.318,546 5.556,547 2.438,548 2.16,549 1.868,550 0.873,551 0.663,552 0.558,553 0.486,554 27718,555 98607,556 2.016,557 36.1,559 19,562 3,567 1.79,568 1.865,569 4.05,570 0.824,577 113.021,578 1.853,579 3.669,580 4.453,581 5.217,582 5.406,583 5.406,584 3.587,585 4.805,586 5.248,587 4.256,588 3153.91,589 9.237,590 57197.6,595 361.775,596 1.589,597 5.198,598 0.226,599 0.007,600 0.094,601 0.04,602 0.039,603 0.036,604 0.017,605 0.014,606 0.012,607 0.01,608 0.496,609 0.17,610 0.75,611 0.716,612 223.674,613 0.085,614 0.08,615 0.123,616 0.061,617 -0.085,618 0.071,619 0.17,620 -0.057,621 -0.056,622 -0.066,623 0.178,624 -0.106,625 -0.082,626 -0.113,627 -0.094,628 -0.138,629 -0.042,630 -0.09,631 -0.049,632 -0.076,633 -0.136,634 -0.099,635 -0.014,636 -0.16,637 0.018,638 -0.047,639 0.132,640 -0.04,641 -0.062,642 0.034,643 0.148,644 0.042,645 0.029,646 0.058,647 0.16,648 0.075,649 -0.228,651 -0.097,652 0.018,653 -0.233,654 0.035,655 -0.026,656 0.004,657 0.004,658 0.054,659 -0.01,660 -0.033,661 5.327,662 5.832,663 0.615,664 62.919,665 1.029,666 1.116,667 3.821,668 14.6,669 0.715,670 3.761,671 4.094,672 4.304,673 4.489,674 4.718,675 4.754,676 4.787,677 4.828,678 4.927,679 5.011,680 9.891,681 0.695,682 567.66,683 3.761,684 5.313,685 6.146,686 7.017,687 7.867,688 8.74,689 9.597,690 10.472,691 11.334,692 12.21,693 4.9,698 1,700 1,704 1,709 15,714 9,716 24,728 1,729 1,732 1,734 1,735 61,737 29,738 4,739 42,741 64,742 27,743 24,744 9,745 15,746 1,748 4,749 4,762 25,763 2,767 5,769 1,770 1,772 5,776 1,781 1,783 22,784 9,785 3,786 12,787 2,792 3,797 1,798 6,816 4,843 4,844 1,845 2,849 1,851 39,855 1,857 1,858 2,860 2,862 1,873 1,874 9.8,876 1,877 3,880 2,881 20.917,882 10.71,883 8.486,884 3.307,886 3.973,887 1.494,888 0.98,889 8.997,890 12.025,891 4.094,892 4.727,893 5.226,894 5.743,895 6.279,896 6.486,897 6.749,898 6.944,899 7.218,900 7.54,901 1,902 61,903 14.954,905 7.008,906 8.28,907 26.392,909 21.626,911 2.78,912 108.417,916 223.651,917 215.173,918 40.086,920 162.888,921 14.96,922 38.027,923 177.146,924 386.539,925 55.046,926 5.67,927 19.41,928 147.951,929 134.857,930 27.293,931 14.96,932 255.87,933 50.747,934 223.651,935 217.232,936 177.848,937 38.027,939 238.611,940 112.141,941 50.747,943 19.41,944 174.141,945 29.488,946 32.22,947 238.611,948 202.974,949 215.173,951 5.807,952 223.651,953 67.222,954 147.814,955 34.416,956 177.848,957 223.651,958 217.934,959 215.173,961 0.589,962 0.333,963 0.164,964 0.093,965 26,966 13,967 0.156,968 10,970 1,971 4.945,972 363.059,974 24,975 190.131,977 1,980 1,981 28.272,982 12.411,983 7.433,985 212.264,986 21.765,991 1.402,993 77.099,994 656.758,995 59,997 -0.704,998 -4.41,1000 61.547,1004 -0.906,1007 62.771,1008 68.083,1009 0.312,1010 0.619,1011 0.751,1012 0.88,1013 0.912,1014 0.912,1015 5.328,1016 2.001,1017 6.159,1018 5.697,1019 4.779,1020 5.416,1021 3.461,1022 6.974,1023 4.696,1024 6.571,1025 1.75,1026 7.734,1027 5.353,1028 4.511,1029 5.44,1030 2.361,1031 8.085,1032 4.353,1033 7.911,1034 1.569,1035 9.419,1036 5.151,1037 6.422,1038 7.7,1039 5.38,1040 11.097,1041 6.249,1042 9.291,1043 1.361,1044 11.172,1045 4.254,1046 6.948,1047 8.516,1048 4.506,1049 13.062,1050 6.687,1051 10.704,1052 1.117,1053 12.971,1054 3.117,1055 8.379,1056 10.305,1057 7.44,1058 15.68,1059 8.1,1060 12.141,1061 1,1062 14.804,1063 2.958,1064 9.259,1065 11.475,1066 6.556,1067 17.979,1068 8.887,1069 13.598,1070 1,1071 16.664,1072 2.42,1073 10.518,1074 13.091,1075 9.54,1076 20.502,1077 10.111,1078 3.41,1079 1,1080 18.545,1081 2.275,1082 11.563,1083 14.436,1084 8.548,1085 22.932,1086 11.062,1087 2.943,1088 12.548,1089 20.443,1090 2.275,1091 12.763,1092 15.986,1093 11.658,1094 25.44,1095 12.209,1096 2.894,1097 9.771,1098 22.355,1099 4.721,1100 13.887,1101 17.42,1102 10.509,1103 27.924,1104 13.239,1105 2.654,1106 9.117,1107 24.278,1108 4.06,1109 15.075,1110 18.949,1111 13.789,1112 30.436,1113 14.358,1114 2.618,1115 8.399,1116 26.211,1117 3.943,1118 16.238,1119 20.431,1120 12.452,1121 32.942,1122 15.427,1123 2.292,1124 7.154,1125 28.153,1126 3.614,1127 17.429,1128 21.957,1129 15.928,1130 35.46,1131 16.537,1132 2.124,1133 6.099,1134 30.102,1135 3.561,1136 18.613,1137 23.465,1138 14.386,1139 37.977,1140 17.627,1141 26447,1142 50140,1143 27.334,1144 43.591,1145 63.092,1146 68.585,1147 64.799,1148 62.694,1149 62.564,1150 86.307,1151 13.884,1152 180.227,1153 60.024,1154 5.77,1155 6.691,1156 6.998,1157 5.446,1158 5.41,1159 7.721,1160 5.9,1161 20.022,1162 5.135,1163 22.978,1164 1.502,1165 1.633,1166 1.543,1167 1.493,1168 1.49,1169 2.055,1170 0.331,1171 4.291,1172 1.429,1173 4.12,1174 4.115,1175 4.737,1176 4.08,1177 8.201,1178 4.017,1179 3.994,1180 4.013,1181 4.023,1182 3.948,1183 7.815,1184 3.934,1185 3.89,1186 3.906,1187 3.954,1188 3.857,1189 7.718,1190 3.827,1191 3.821,1192 3.832,1193 3.891,1194 3.707,1195 7.427,1196 3.708,1197 3.727,1198 3.723,1199 3.716,1200 3.602,1201 6.999,1202 3.553,1203 3.517,1204 3.575,1205 3.553,1206 3.355,1207 6.999,1208 3.304,1209 3.363,1210 3.392,1211 3.388,1212 3.04,1213 6.471,1214 3.103,1215 3.17,1216 3.161,1217 3.192,1218 2.98,1219 4.784,1220 3.015,1221 0.116,1222 0.112,1223 0.174,1224 0.103,1225 0.081,1226 4.868,1227 0.112,1228 4.691,1229 0.07,1230 7.316,1231 0.299,1232 4.334,1233 0.075,1234 3.41,1235 4.721,1236 2.95,1237 12.548,1238 3.135,1239 2.001,1240 1.995,1241 2.079,1242 2.114,1243 1.21,1244 2.107,1245 1.967,1246 1.958,1247 1.992,1248 2.056,1249 1.186,1250 2.059,1251 1.87,1252 1.854,1253 1.953,1254 1.945,1255 1.108,1256 1.962,1257 1.766,1258 1.742,1259 1.874,1260 1.885,1261 0.977,1262 1.882,1263 1.554,1264 1.56,1265 1.704,1266 1.757,1267 0.943,1268 1.767,1269 1.418,1270 1.381,1271 1.325,1272 1.709,1273 0.605,1274 1.679,1275 1.161,1276 1.134,1277 1.266,1278 1.501,1279 0.275,1280 1.468,1281 1.049,1282 1.045,1283 1.181,1284 1.232,1285 0.218,1286 1.217,1287 4.443,1289 5.771,1291 7.286,1293 8.88,1295 10.516,1299 13.142,1302 9.341,1303 0.904,1305 4.864,1307 1.473,1314 42.378,1315 113.021,1316 223.813,1317 271.662,1318 318.265,1319 329.775,1320 329.775,1321 128.044,1322 8.051,1323 141.32,1324 175,1325 24,1326 12.752,1327 4.907,1328 4.17,1329 70.796,1330 227,1331 256,1332 0.146,1333 267.027,1334 474.49,1335 643.306,1336 42195,1337 1.6,1338 27.993,1339 0.718,1340 0.56,1341 27.726,1342 21.838,1343 18.619,1344 0.443,1345 0.332,1346 11.551,1347 16.617,1348 11.14,1349 9.196,1350 19.5,1351 13.964,1352 17.453,1353 0.296,1354 0.188,1355 18.741,1356 11.075,1357 13.779,1358 0.189,1359 0.108,1360 15.111,1361 7.893,1362 10.716,1363 0.122,1364 0.061,1365 12.161,1366 5.334,1367 8.651,1368 0.078,1369 0.035,1370 9.976,1371 3.842,1372 0.238,1373 130.221,1374 0.191,1375 36.192,1376 0.375,1377 202,1378 764.97,1379 283.237,1380 750.588,1381 979.87,1382 686,1383 233,1384 655.216,1385 316.008,1386 700.159,1387 1009.56,1388 655,1389 5.1}
{0 CHEMBL1992732,1 1.739,2 11.367,3 2.087,4 4.356,5 113.729,6 8.068,7 0.485,8 4.079,9 4.21,10 3.709,11 3.483,12 5.296,13 3.515,14 4.578,15 4.758,16 4.034,17 3.844,18 5.712,19 3.859,20 4.76,21 4.98,22 4.053,23 3.883,24 5.918,25 3.874,26 4.743,27 4.95,28 4.131,29 3.887,30 5.96,31 3.907,32 4.772,33 4.97,34 4.125,35 3.944,36 5.97,37 3.952,38 4.84,39 5.06,40 4,41 3.897,42 6.031,43 3.889,44 4.818,45 5.054,46 3.913,47 3.746,48 6.133,49 3.749,50 4.587,51 4.836,52 3.609,53 3.587,54 5.726,55 3.552,56 0.271,57 0.83,58 9.676,59 3.754,60 17.667,61 5.048,62 0.473,63 1.218,64 18.558,65 6.041,66 29.601,67 8.621,68 0.784,69 1.275,70 25.37,71 7.155,72 58.02,73 10.711,74 0.832,75 1.314,76 24.145,77 6.331,78 51.431,79 9.549,80 0.727,81 1.398,82 23.222,83 6.219,84 47.365,85 9.396,86 0.753,87 1.315,88 27.037,89 6.343,90 70.905,91 9.989,92 1.161,93 1.143,94 29.081,95 5.555,96 115.835,97 8.953,98 0.778,99 0.935,100 23.436,101 5.196,102 71.627,103 8.095,104 12,105 45,106 0.29,107 0.682,108 0.812,109 0.845,110 0.851,111 0.851,112 3.441,113 0.866,114 -4.05,115 -4,116 -3.79,119 35.3,120 1,121 2,125 3,142 4,143 1,144 1,146 1,147 2,153 1,155 1,158 1,163 1,164 1,165 1,166 4,168 1,172 5,174 4,175 6,177 1,178 2,183 4,187 7,188 3,190 3,191 4,193 1,196 2,199 9,200 5,202 1,203 4,205 1,208 2,212 7,213 6,215 2,216 3,218 2,221 2,224 1,225 7,228 1,230 3,233 1,237 4,238 12,240 1,241 3,242 1,243 3,245 1,248 2,249 3,250 6,252 1,253 1,263 3,264 9,272 2,276 1558,277 20.75,278 20.75,279 20.75,280 20.75,281 20.75,282 18.516,283 25.224,284 12.522,285 21.292,286 16.263,287 16.263,288 16.263,289 16.263,290 16.263,291 12.864,292 28.187,293 5.802,294 17.053,295 3.933,296 1.578,297 0.799,298 0.603,299 0.564,300 0.564,301 4.135,305 1,306 1,307 740,308 3.464,311 252.44,312 113.172,319 1.609,320 30.531,323 0.75,324 0.83,325 0.83,326 0.7,328 0.67,329 0.5,330 0.61,331 67.5,332 341,333 4.626,334 3.64,335 7.009,336 4.243,337 3.298,338 4.326,339 0.98,340 11.974,341 3.117,342 4.22,343 3.277,344 6.283,345 3.813,346 2.846,347 3.842,348 0.86,349 9.3,350 2.751,351 4.153,352 3.073,353 6.137,354 3.753,355 2.799,356 3.729,357 0.8,358 9.03,359 2.668,360 3.657,361 2.89,362 5.693,363 3.415,364 2.455,365 2.88,367 7.439,368 2.344,369 3.315,370 2.288,371 5.105,372 3.013,373 2.052,374 2.426,376 5.777,377 1.967,378 3.138,379 2.192,380 4.47,381 2.677,382 1.74,383 2.3,385 4.503,386 1.628,387 2.937,388 1.755,389 4.373,390 2.494,391 1.529,392 2.106,394 3.89,395 1.468,396 2.778,397 1.698,398 3.892,399 2.386,400 1.414,401 1.842,403 3.121,404 1.369,405 2.563,406 1.337,407 3.732,408 2.233,409 1.264,410 1.586,412 2.959,413 1.221,414 2.531,415 1.319,416 3.642,417 2.104,418 1.137,419 1.513,421 2.611,422 1.097,423 2.51,424 1.232,425 3.398,426 1.953,427 1,428 1.42,430 2.204,431 0.948,432 2.195,433 1.202,434 3.259,435 1.934,436 0.966,437 1.122,439 1.785,440 0.925,441 2.147,442 0.843,443 3.221,444 1.642,445 0.658,446 0.985,448 1.638,449 0.642,450 1.846,451 0.744,452 3.096,453 1.591,454 0.618,455 0.746,457 1.579,458 0.6,459 1.618,460 0.696,461 3,462 1.565,463 0.618,464 0.618,466 1.372,467 0.584,468 13.6,469 0.453,470 0.572,471 0.019,472 39,473 1.3,474 18.5,475 0.617,476 20.5,477 0.683,478 24.001,479 0.8,480 33.2,481 0.651,482 30.893,483 1.03,484 7.909,485 0.264,486 6.777,487 0.226,488 0.091,490 0.316,496 0.672,497 1.306,498 0.704,499 1.153,500 0.638,501 0.967,502 0.826,503 1.241,504 0.771,505 1.121,506 0.594,507 0.962,508 0.798,509 0.978,510 0.798,511 0.967,512 0.701,513 0.908,514 0.865,515 0.977,516 0.8,517 0.875,518 0.773,519 0.835,520 0.934,521 1.149,522 1.029,523 1.108,524 1.105,525 1.081,526 1.294,527 1.248,528 1.168,529 1.159,530 1.699,531 1.122,532 1.411,533 0.831,534 1.195,535 0.787,536 1.786,537 0.904,538 1.352,539 0.745,540 1.138,541 0.732,542 1.586,543 0.861,544 4,545 0.145,546 3.556,547 1.806,548 1.477,549 0.878,550 0.649,551 0.323,552 0.217,553 0.184,554 11948,555 35243,556 2.107,557 41.2,559 10,561 1,562 3,564 7,567 1.73,568 2,569 3.44,570 1.032,571 1,572 1,577 88.712,578 1.739,579 4.095,580 4.873,581 5.069,582 5.109,583 5.109,584 2.836,585 4.64,586 4.879,587 3.648,588 1586.97,589 8.521,590 22359.4,592 1,594 1,595 289.294,596 1.295,597 4.851,598 0.121,599 0.005,600 0.079,601 0.041,602 0.031,603 0.019,604 0.016,605 0.009,606 0.008,607 0.007,608 0.336,609 0.33,610 0.88,611 0.823,612 154.352,613 0.144,614 -0.004,615 0.073,616 -0.05,617 0.027,618 -0.018,619 0.043,620 -0.096,621 0.103,622 -0.071,623 0.089,624 0.01,625 0.181,626 0.025,627 0.171,628 0.023,629 0.202,630 0.071,631 0.174,632 0.082,633 0.153,634 0.075,635 0.158,636 0.091,637 0.001,638 -0.014,639 -0.128,640 -0.158,641 -0.099,642 -0.173,643 -0.246,644 -0.235,645 -0.199,646 -0.221,647 -0.246,648 -0.191,649 -0.083,650 0.082,651 -0.136,652 0.063,653 -0.021,654 -0.02,655 -0.201,656 0.156,657 -0.093,658 0.183,659 -0.219,660 0.09,661 2.177,662 5.802,663 0.7,664 29.4,665 1.024,666 1.149,667 2.822,668 7.963,669 0.647,670 3.526,671 3.829,672 4.143,673 4.431,674 4.533,675 4.644,676 4.736,677 4.771,678 4.771,679 4.771,680 6.936,681 0.637,682 411.48,683 3.526,684 5.056,685 5.916,686 6.797,687 7.678,688 8.569,689 9.46,690 10.356,691 11.252,692 12.152,693 17.6,697 1,699 1,700 1,701 1,702 1,703 4,709 4,710 4,712 1,714 6,715 1,716 16,727 1,730 1,733 1,735 51,737 18,738 1,739 33,741 54,742 18,743 10,744 2,745 4,746 2,748 4,749 4,751 1,754 1,757 2,760 2,762 12,763 6,767 2,772 1,774 1,775 1,776 1,780 1,783 21,784 11,785 3,786 12,792 9,797 1,798 3,812 1,815 3,816 1,843 4,847 1,851 30,852 1,858 5,860 1,861 1,864 1,871 1,874 5.9,877 1,879 2,881 15,882 9.4,883 6.778,884 3.159,886 3.193,887 1.429,888 0.972,889 6.256,890 10.641,891 3.784,892 4.344,893 4.945,894 5.527,895 5.86,896 6.174,897 6.494,898 6.765,899 6.994,900 7.199,901 1,902 44,903 11.017,905 4.653,906 7.856,907 20.628,909 16.413,911 2.356,912 70.667,916 211.88,917 92.525,918 144.746,920 46.106,923 92.525,924 257.986,925 144.746,926 8.825,927 31.761,928 70.802,929 123.065,930 56.038,931 4.656,932 200.109,934 211.88,935 237.271,936 46.106,939 129.482,940 128.503,943 64.111,944 91.716,945 81.444,947 211.88,948 190.852,949 92.525,952 211.88,953 36.747,954 60.678,955 17.888,956 168.063,957 211.88,958 190.852,959 92.525,961 0.567,962 0.346,963 0.2,964 0.099,965 21,966 9,967 0.13,968 7,970 1,971 4.152,972 267.42,974 21,975 143.207,981 20.317,982 9.237,983 4.324,985 189.075,986 7.401,987 15.403,989 4.664,991 2.225,992 1.361,993 50.785,994 495.256,995 43,1000 12.802,1002 1.516,1003 4.047,1004 -0.511,1007 52.2,1008 58.604,1009 0.307,1010 0.722,1011 0.859,1012 0.894,1013 0.901,1014 0.901,1015 5.011,1016 1.414,1017 5.883,1018 3.89,1019 4.511,1020 5.03,1021 1.679,1022 6.713,1023 4.421,1024 6.196,1025 1.264,1026 7.448,1027 3.121,1028 4.007,1029 4.732,1030 0.325,1031 7.689,1032 3.861,1033 7.494,1034 1.137,1035 9.124,1036 2.959,1037 6.103,1038 7.189,1039 1.481,1040 10.846,1041 5.916,1042 8.837,1043 1,1044 10.87,1045 2.611,1046 6.538,1047 7.841,1048 0.268,1049 12.725,1050 6.289,1051 10.219,1052 0.966,1053 12.66,1054 2.204,1055 8.026,1056 9.683,1057 1.348,1058 15.39,1059 7.739,1060 11.63,1061 0.658,1062 14.482,1063 1.785,1064 8.87,1065 10.755,1066 0.188,1067 17.613,1068 8.518,1069 13.061,1070 0.618,1071 16.326,1072 1.638,1073 10.139,1074 12.357,1075 1.243,1076 20.135,1077 9.743,1078 3.298,1079 0.618,1080 18.185,1081 1.579,1082 11.16,1083 13.621,1084 0.125,1085 22.5,1086 10.701,1087 2.846,1088 11.974,1089 20.057,1090 1.372,1091 12.353,1092 15.124,1093 1.157,1094 24.981,1095 11.845,1096 2.799,1097 9.3,1098 21.939,1099 4.326,1100 13.454,1101 16.478,1102 0.082,1103 27.408,1104 12.884,1105 2.455,1106 9.03,1107 23.828,1108 3.842,1109 14.624,1110 17.941,1111 1.086,1112 29.881,1113 14,1114 2.052,1115 7.439,1116 25.725,1117 3.729,1118 15.762,1119 19.339,1120 0.054,1121 32.336,1122 15.078,1123 1.74,1124 5.777,1125 27.627,1126 2.88,1127 16.929,1128 20.789,1129 1.026,1130 34.809,1131 16.189,1132 1.529,1133 4.503,1134 29.534,1135 2.426,1136 18.087,1137 22.21,1138 0.035,1139 37.277,1140 17.286,1141 11399,1142 19855,1143 22.364,1144 32.983,1145 49.381,1146 50.227,1147 50.801,1148 48.966,1149 48.882,1150 62.988,1151 5.28,1152 138.552,1153 46.748,1154 5.545,1155 5.64,1156 6.782,1157 5.318,1158 5.298,1159 7.326,1160 1.96,1161 19.472,1162 5.117,1163 12.503,1164 1.496,1165 1.522,1166 1.539,1167 1.484,1168 1.481,1169 1.909,1170 0.16,1171 4.199,1172 1.417,1173 4.038,1174 4.099,1175 4.02,1176 3.859,1177 7.43,1178 3.87,1179 3.92,1180 3.946,1181 3.868,1182 3.783,1183 5.443,1184 3.816,1185 3.773,1186 3.835,1187 3.705,1188 3.558,1189 5.015,1190 3.578,1191 3.637,1192 3.688,1193 3.566,1194 3.367,1195 4.9,1196 3.422,1197 3.462,1198 3.535,1199 3.309,1200 3.257,1201 4.848,1202 3.245,1203 3.361,1204 3.445,1205 3.263,1206 3.089,1207 4.59,1208 3.122,1209 3.033,1210 3.073,1211 2.972,1212 2.759,1213 4.358,1214 2.814,1215 2.869,1216 2.979,1217 2.707,1218 2.713,1219 4.272,1220 2.705,1221 0.14,1222 0.11,1223 0.212,1224 0.129,1225 0.1,1226 4.626,1227 0.131,1228 3.64,1229 0.03,1230 7.009,1231 0.363,1232 4.243,1233 0.094,1234 3.298,1235 4.326,1236 0.98,1237 11.974,1238 3.117,1239 1.898,1240 1.876,1241 2.004,1242 2.002,1243 1.211,1244 2.002,1245 1.655,1246 1.608,1247 1.86,1248 1.887,1249 1.088,1250 1.845,1251 1.577,1252 1.507,1253 1.787,1254 1.751,1255 1.028,1256 1.793,1257 1.458,1258 1.384,1259 1.752,1260 1.733,1261 0.924,1262 1.73,1263 1.425,1264 1.368,1265 1.529,1266 1.691,1267 0.634,1268 1.662,1269 1.334,1270 1.26,1271 1.499,1272 1.616,1273 0.405,1274 1.597,1275 1.141,1276 1.086,1277 1.3,1278 1.508,1279 0.317,1280 1.394,1281 0.996,1282 0.917,1283 1.14,1284 1.361,1285 0.182,1286 1.339,1287 4.205,1289 5.509,1290 3.434,1291 7.002,1292 5.687,1293 8.59,1294 7.695,1295 10.232,1297 1.899,1301 5.798,1303 4.017,1305 2.496,1306 5.552,1309 1.997,1314 32.498,1315 88.712,1316 208.823,1317 248.539,1318 258.539,1319 260.539,1320 260.539,1321 52.1,1322 7.448,1323 149.58,1324 149.58,1325 21,1326 12.675,1327 4.248,1328 3.459,1329 46.997,1330 123,1331 134,1332 0.182,1333 200.65,1334 339.43,1335 481.346,1336 17105,1338 20.924,1339 0.697,1340 0.545,1341 20.924,1342 16.355,1343 14.686,1344 0.445,1345 0.289,1346 9.312,1347 13.733,1348 9.193,1349 7.635,1350 14.686,1351 9.53,1352 12.6,1353 0.28,1354 0.145,1355 12.6,1356 6.511,1357 10.935,1358 0.176,1359 0.073,1360 10.935,1361 4.552,1362 9.434,1363 0.114,1364 0.039,1365 9.434,1366 3.204,1367 6.66,1368 0.072,1369 0.019,1370 6.66,1371 1.761,1372 0.286,1373 94.772,1374 0.211,1375 28.328,1376 0.498,1377 156,1378 550.367,1379 181.094,1380 520.917,1381 716.76,1382 486,1383 185,1384 560.141,1385 213.869,1386 547.889,1387 795.4,1388 514,1389 5.1}
{0 CHEMBL1992740,1 1.7,2 14.032,3 2.673,4 7.144,5 113.254,6 7.67,7 0.471,8 4.138,9 4.277,10 3.722,11 3.6,12 5.268,13 3.603,14 4.701,15 4.902,16 4.077,17 3.99,18 5.792,19 3.974,20 4.97,21 5.206,22 4.156,23 4.118,24 6.169,25 4.074,26 5.012,27 5.268,28 4.03,29 4.098,30 6.095,31 4.014,32 4.994,33 5.281,34 3.947,35 3.993,36 6.082,37 3.906,38 4.797,39 5.061,40 3.895,41 3.869,42 5.882,43 3.816,44 4.706,45 4.941,46 3.884,47 3.774,48 5.944,49 3.748,50 4.671,51 4.923,52 3.747,53 3.701,54 5.872,55 3.651,56 0.142,57 1.024,58 11.193,59 4.709,60 12.885,61 6.327,62 0.405,63 1.584,64 22.654,65 7.449,66 30.824,67 10.77,68 0.836,69 1.971,70 32.836,71 9.92,72 100.041,73 14.165,74 0.732,75 1.791,76 35.198,77 10.895,78 86.306,79 15.912,80 0.925,81 1.581,82 37.106,83 10.188,84 103.813,85 15.599,86 0.599,87 1.413,88 28.802,89 7.987,90 67.012,91 12.313,92 0.713,93 1.346,94 25.481,95 6.5,96 74.859,97 9.972,98 0.771,99 1.242,100 25.588,101 6.565,102 77.472,103 9.917,104 18,105 47,106 0.279,107 0.595,108 0.743,109 0.823,110 0.834,111 0.858,112 3.471,113 0.923,114 -4.69,115 -4.61,116 -4.33,119 37.5,120 1,121 2,125 6,142 4,143 2,144 2,146 1,149 1,153 1,158 1,166 1,168 1,172 5,174 1,175 7,178 1,179 1,180 3,183 3,187 2,188 7,191 2,193 3,196 3,200 3,203 3,205 1,208 3,212 2,213 7,216 2,218 3,221 4,224 1,225 5,230 2,233 2,237 1,238 5,241 1,243 2,246 2,249 2,250 4,253 1,255 2,258 3,263 1,264 1,272 2,276 1782,277 21.093,278 21.093,279 21.093,280 21.093,281 21.093,282 19.015,283 22.362,284 12.364,285 21.625,286 16.687,287 16.687,288 16.687,289 16.687,290 16.687,291 13.554,292 29.373,293 5.779,294 17.533,295 4.107,296 2.183,297 1.282,298 0.799,299 0.728,300 0.585,301 4.168,305 1,306 1,307 943,308 3.536,311 75.772,312 303.687,315 135.612,319 2.164,320 42.959,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 69.5,332 435,333 4.59,334 3.599,335 6.645,336 4.129,337 3.162,338 4.527,339 1.907,340 10.642,341 3.056,342 4.367,343 3.404,344 6.487,345 3.932,346 2.975,347 4.061,348 0.8,349 10.046,350 2.84,351 3.749,352 3.079,353 5.586,354 3.576,355 2.652,356 3.145,357 0.8,358 7.339,359 2.453,360 3.658,361 2.974,362 5.481,363 3.395,364 2.417,365 2.898,366 0.149,367 7.127,368 2.36,369 3.613,370 2.576,371 5.282,372 3.235,373 2.279,374 2.651,376 6.588,377 2.153,378 3.266,379 2.557,380 5.108,381 3.093,382 2.176,383 2.53,385 6.265,386 1.99,387 3.181,388 2.076,389 4.818,390 2.78,391 1.829,392 2.188,394 5.256,395 1.728,396 2.939,397 1.936,398 4.484,399 2.438,400 1.48,401 2.136,403 4.202,404 1.411,405 2.863,406 1.537,407 4.091,408 2.382,409 1.414,410 2.023,412 3.293,413 1.355,414 2.66,415 1.417,416 3.843,417 2.192,418 1.224,419 1.729,421 3.155,422 1.18,423 2.22,424 1.267,425 3.417,426 2.081,427 1.097,428 1.186,430 2.424,431 1.073,432 2.121,433 1.146,434 3.414,435 1.967,436 1,437 1,439 2.275,440 0.965,441 2,442 0.916,443 3.244,444 1.668,445 0.697,446 0.965,448 1.654,449 0.673,450 1.559,451 0.773,452 2.863,453 1.509,454 0.538,455 0.546,457 0.876,458 0.521,459 1.38,460 0.695,461 2.782,462 1.019,463 0.154,464 0.18,466 0.349,467 0.128,468 14.205,469 0.458,470 0.712,471 0.023,472 36.75,473 1.185,474 16,475 0.516,476 20.75,477 0.669,478 27.881,479 0.899,480 34.995,481 0.625,482 28.787,483 0.929,484 7.361,485 0.237,486 7.685,487 0.248,488 0.099,490 0.338,494 2,496 0.606,497 1.225,498 0.724,499 1.19,500 0.494,501 1.027,502 0.725,503 1.096,504 0.818,505 1.037,506 0.528,507 0.956,508 0.853,509 0.948,510 0.914,511 0.975,512 0.725,513 0.959,514 0.807,515 1.009,516 0.94,517 1.106,518 0.801,519 1.075,520 0.759,521 0.733,522 0.785,523 0.792,524 0.802,525 0.799,526 0.782,527 0.92,528 0.775,529 0.901,530 0.731,531 0.842,532 0.969,533 0.92,534 0.97,535 0.98,536 1.023,537 0.973,538 1.002,539 0.811,540 1.013,541 0.902,542 1.107,543 0.952,544 6,545 0.127,546 3.778,547 1.917,548 1.444,549 1.045,550 0.604,551 0.446,552 0.332,553 0.195,554 14533,555 40278,556 2.084,557 44.6,559 16,562 2,563 2,564 5,567 1.732,568 1.958,569 3.736,570 0.289,571 1,572 1,577 95.225,578 1.7,579 3.625,580 4.526,581 5.008,582 5.08,583 5.222,584 3.244,585 4.696,586 4.923,587 3.932,588 1828.2,589 8.575,590 27311.9,592 1,594 1,595 325.212,596 1.383,597 4.888,598 0.176,599 0.005,600 0.08,601 0.04,602 0.035,603 0.028,604 0.016,605 0.013,606 0.011,607 0.007,608 0.411,609 0.17,610 1,611 0.701,612 164.429,613 0.006,614 -0.12,615 0.052,616 -0.071,617 0.006,618 -0.015,619 -0.013,620 -0.108,621 0.052,622 -0.022,623 0.045,624 0.024,625 0.051,626 0.018,627 0.036,628 0.008,629 0.137,630 0.017,631 0.033,632 -0.11,633 0.022,634 -0.109,635 0.036,636 -0.064,637 0.118,638 0.064,639 0.227,640 0.152,641 0.083,642 0.203,643 0.042,644 -0.088,645 0.199,646 0.053,647 0.06,648 0.151,649 0.047,650 -0.018,651 0.008,652 -0.06,653 0.011,654 -0.044,655 0.058,656 0.101,657 -0.008,658 0.018,659 -0.02,660 -0.013,661 2.662,662 6.116,663 0.677,664 36.239,665 1.016,666 1.152,667 3.461,668 11.982,669 0.643,670 3.555,671 3.871,672 4.143,673 4.369,674 4.575,675 4.644,676 4.779,677 4.875,678 4.927,679 5.011,680 8.062,681 0.623,682 429.53,683 3.555,684 5.094,685 5.943,686 6.812,687 7.677,688 8.553,689 9.426,690 10.306,691 11.184,692 12.068,693 12.5,696 2,700 1,701 1,703 3,708 2,709 4,710 3,711 1,714 5,716 16,734 2,735 56,737 17,738 1,739 34,741 59,742 21,743 11,744 3,745 3,748 4,749 5,754 1,760 2,762 12,763 9,767 1,772 1,776 1,780 1,781 2,783 25,784 9,785 2,786 10,792 7,797 0.75,798 1,807 1,808 1,815 1,816 3,819 1,829 1,839 2,843 3,847 1,849 2,851 31,858 8,860 1,864 2,873 2,874 1.8,877 1,881 15.833,882 10.286,883 6.889,884 3.634,886 3.165,887 1.402,888 0.991,889 6.74,890 11.049,891 3.784,892 4.366,893 4.944,894 5.53,895 6.059,896 6.427,897 6.921,898 7.366,899 7.639,900 8.009,901 1,902 48,903 11.582,905 5.055,906 7.962,907 21.761,909 17.882,911 2.462,912 76.333,915 1,916 270.735,917 99.939,918 90.911,920 25.145,921 29.92,923 99.939,924 295.88,925 120.832,926 8.825,927 35.714,928 37.905,929 79.839,930 53.712,931 29.92,932 270.735,934 270.735,935 190.85,936 55.065,939 243.515,940 84,943 72.536,944 66.61,945 49.989,947 300.656,948 116.056,949 99.939,952 270.735,953 53.208,954 52.979,955 34.674,956 105.054,957 270.735,958 145.977,959 99.939,961 0.58,962 0.343,963 0.177,964 0.094,965 22,966 10,967 0.119,968 7,969 1,970 1.095,971 4.333,972 270.781,973 0.095,974 21,975 149.58,981 21.603,982 9.672,983 5.001,984 0.766,985 129.314,986 5.4,987 11.894,988 2.732,991 -1.436,993 34.674,994 516.651,995 43,1000 12.417,1004 -0.145,1007 56.901,1008 64.529,1009 0.293,1010 0.624,1011 0.779,1012 0.862,1013 0.875,1014 0.899,1015 5.024,1016 1.48,1017 5.922,1018 5.256,1019 4.554,1020 5.053,1021 2.194,1022 6.718,1023 4.458,1024 6.215,1025 1.414,1026 7.475,1027 4.202,1028 4.111,1029 4.89,1030 1.738,1031 7.597,1032 3.946,1033 7.518,1034 1.224,1035 9.127,1036 3.293,1037 6.138,1038 7.253,1039 2.953,1040 10.685,1041 5.953,1042 8.857,1043 1.097,1044 10.837,1045 3.155,1046 6.524,1047 7.969,1048 3.061,1049 12.407,1050 6.276,1051 10.232,1052 1,1053 12.586,1054 2.424,1055 8.002,1056 9.814,1057 4.047,1058 15.016,1059 7.734,1060 11.633,1061 0.697,1062 14.362,1063 2.275,1064 8.773,1065 10.944,1066 4.414,1067 17.093,1068 8.453,1069 13.054,1070 0.538,1071 16.159,1072 1.654,1073 10.032,1074 12.583,1075 5.252,1076 19.537,1077 9.688,1078 3.162,1079 0.154,1080 17.971,1081 0.876,1082 10.988,1083 13.907,1084 5.75,1085 21.768,1086 10.601,1087 2.975,1088 10.642,1089 19.796,1090 0.349,1091 12.16,1092 15.46,1093 6.502,1094 24.151,1095 11.744,1096 2.652,1097 10.046,1098 21.632,1099 4.527,1100 13.205,1101 16.875,1102 7.068,1103 26.448,1104 12.751,1105 2.417,1106 7.339,1107 23.476,1108 4.061,1109 14.345,1110 18.392,1111 7.771,1112 28.809,1113 13.86,1114 2.279,1115 7.127,1116 25.327,1117 3.145,1118 15.433,1119 19.849,1120 8.374,1121 31.134,1122 14.912,1123 2.176,1124 6.588,1125 27.183,1126 2.898,1127 16.562,1128 21.352,1129 9.051,1130 33.487,1131 16.01,1132 1.829,1133 6.265,1134 29.045,1135 2.651,1136 17.672,1137 22.83,1138 9.674,1139 35.826,1140 17.086,1141 13812,1142 23457,1143 22.77,1144 35.983,1145 50.393,1146 52.072,1147 52.147,1148 50.202,1149 50.192,1150 63.531,1151 7.312,1152 142.982,1153 47.772,1154 5.59,1155 5.599,1156 6.219,1157 5.197,1158 5.162,1159 7.527,1160 3.306,1161 17.759,1162 5.056,1163 15.144,1164 1.482,1165 1.532,1166 1.534,1167 1.477,1168 1.476,1169 1.869,1170 0.215,1171 4.205,1172 1.405,1173 4.101,1174 4.15,1175 4.082,1176 3.963,1177 8.239,1178 3.984,1179 3.879,1180 3.95,1181 3.85,1182 3.76,1183 8.161,1184 3.777,1185 3.873,1186 3.91,1187 3.754,1188 3.677,1189 7.429,1190 3.685,1191 3.65,1192 3.709,1193 3.54,1194 3.473,1195 5.206,1196 3.476,1197 3.425,1198 3.507,1199 3.291,1200 3.212,1201 4.661,1202 3.209,1203 3.298,1204 3.379,1205 3.199,1206 3.087,1207 4.468,1208 3.106,1209 3.142,1210 3.216,1211 2.977,1212 2.941,1213 4.399,1214 2.917,1215 3.111,1216 3.206,1217 2.874,1218 2.902,1219 4.075,1220 2.91,1221 0.135,1222 0.106,1223 0.195,1224 0.121,1225 0.093,1226 4.59,1227 0.133,1228 3.599,1229 0.056,1230 6.645,1231 0.313,1232 4.129,1233 0.09,1234 3.162,1235 4.527,1236 1.907,1237 10.642,1238 3.056,1239 1.94,1240 1.918,1241 2.029,1242 2.052,1243 1.354,1244 2.045,1245 1.817,1246 1.748,1247 2,1248 2.037,1249 1.177,1250 2.03,1251 1.727,1252 1.694,1253 1.884,1254 1.891,1255 1.113,1256 1.882,1257 1.623,1258 1.564,1259 1.783,1260 1.817,1261 0.93,1262 1.807,1263 1.42,1264 1.335,1265 1.724,1266 1.718,1267 0.894,1268 1.697,1269 1.317,1270 1.223,1271 1.513,1272 1.61,1273 0.825,1274 1.617,1275 1.153,1276 1.064,1277 1.478,1278 1.376,1279 0.586,1280 1.429,1281 1.061,1282 0.988,1283 1.317,1284 1.365,1285 0.344,1286 1.356,1287 4.234,1289 5.549,1290 2.398,1291 7.057,1292 4.727,1293 8.652,1294 6.823,1295 10.293,1297 2.169,1299 27.672,1303 7.269,1305 2.804,1309 4.792,1314 34.899,1315 95.225,1316 202.991,1317 253.437,1318 280.457,1319 284.457,1320 292.457,1321 71.726,1322 7.883,1323 90.04,1324 90.04,1325 23,1326 12.602,1327 4.17,1328 3.322,1329 49.758,1330 148,1331 175,1332 0.159,1333 213.17,1334 366.53,1335 511.894,1336 33141,1337 3.6,1338 21.794,1339 0.703,1340 0.56,1341 20.054,1342 17.367,1343 15.046,1344 0.443,1345 0.308,1346 10.252,1347 14.221,1348 10.097,1349 8.305,1350 14.225,1351 10.456,1352 13.332,1353 0.284,1354 0.162,1355 12.299,1356 7.594,1357 11.536,1358 0.186,1359 0.09,1360 10.477,1361 5.6,1362 9.168,1363 0.118,1364 0.048,1365 8.525,1366 3.744,1367 7.208,1368 0.075,1369 0.026,1370 6.812,1371 2.468,1372 0.258,1373 96.035,1374 0.21,1375 29.737,1376 0.414,1377 162,1378 598.849,1379 185.087,1380 524.031,1381 697.17,1382 488,1383 190,1384 505.695,1385 214.692,1386 493.946,1387 723.49,1388 465,1389 5.1}
{0 CHEMBL1992796,1 1.515,2 9.586,3 4.333,4 18.771,5 114.983,6 8.509,7 0.545,8 3.967,9 4.071,10 3.66,11 3.642,12 5.106,13 3.612,14 4.464,15 4.59,16 4.051,17 4.057,18 5.581,19 4.006,20 4.748,21 4.928,22 4.12,23 4.192,24 5.795,25 4.116,26 4.761,27 4.941,28 4.167,29 4.181,30 5.866,31 4.118,32 4.841,33 5.023,34 4.259,35 4.217,36 6.015,37 4.165,38 4.852,39 5.037,40 4.192,41 4.203,42 6.007,43 4.128,44 4.791,45 4.998,46 4.102,47 4.098,48 5.933,49 3.997,50 4.646,51 4.872,52 3.789,53 3.923,54 5.681,55 3.793,56 0.045,57 0.629,58 7.274,59 3.78,60 7.169,61 4.717,62 0.077,63 1.021,64 13.2,65 6.563,66 15.435,67 8.333,68 0.151,69 1.35,70 23.673,71 9.522,72 27.595,73 12.074,74 0.182,75 1.39,76 22.913,77 9.514,78 30.628,79 12.199,80 0.298,81 1.512,82 25.09,83 9.929,84 46.925,85 12.232,86 0.275,87 1.507,88 27.052,89 10.153,90 52.879,91 12.005,92 0.345,93 1.387,94 29.609,95 10.242,96 58.172,97 12.758,98 0.305,99 1.171,100 28.583,101 9.421,102 47.216,103 11.877,104 5,105 47,106 0.253,107 0.549,108 0.681,109 0.817,110 0.858,111 0.865,112 3.409,113 0.897,114 -5.8,115 -5.66,116 -5.28,119 51.1,121 1,127 1,136 2,142 13,143 3,144 2,156 1,158 1,168 1,172 17,175 3,178 1,180 5,183 24,188 3,193 6,196 22,199 1,200 8,203 1,205 5,208 16,213 9,216 1,217 1,218 6,221 17,225 7,230 6,233 16,238 7,243 6,246 18,250 2,255 5,258 16,264 1,269 1,272 17,276 1365,277 20.068,278 20.068,279 20.068,280 20.068,281 20.068,282 17.317,283 19.033,284 11.926,285 20.304,286 16.347,287 16.347,288 16.347,289 16.347,290 16.347,291 12.252,292 27.14,293 5.715,294 16.757,295 4.039,296 2.276,297 1.481,298 0.67,299 0.426,300 0.383,301 4.121,302 1,305 1,306 1,307 620,308 2.236,311 63.783,312 296.218,316 120.826,319 1.422,320 22.523,323 0.75,324 0.83,325 1,326 0.6,328 1,329 1,330 0.74,331 60.833,332 278,333 4.705,334 3.712,335 7.093,336 4.339,337 3.346,338 4.327,339 1.058,340 12.316,341 3.322,342 4.177,343 3.251,344 6.279,345 3.895,346 2.914,347 3.677,348 0.782,349 9.463,350 2.859,351 4.023,352 3.089,353 6.085,354 3.617,355 2.639,356 3.553,357 0.522,358 8.76,359 2.582,360 3.875,361 2.856,362 5.771,363 3.501,364 2.506,365 3.351,367 7.811,368 2.484,369 3.56,370 2.696,371 5.119,372 3.121,373 2.181,374 2.856,376 6.103,377 2.067,378 3.348,379 2.442,380 4.923,381 2.907,382 1.968,383 2.579,385 5.545,386 1.822,387 3.263,388 1.934,389 4.777,390 2.834,391 1.843,392 2.481,394 5.019,395 1.733,396 3.026,397 1.778,398 4.329,399 2.578,400 1.589,401 2.188,403 3.986,404 1.559,405 2.764,406 1.331,407 3.896,408 2.308,409 1.31,410 1.879,412 3.056,413 1.307,414 2.529,415 1.284,416 3.597,417 2.098,418 1.106,419 1.5,421 2.689,422 1.092,423 2.5,424 1.012,425 3.46,426 2,427 1,428 1.5,430 2.168,431 1,432 2.5,433 1,434 3.267,435 2,436 1,437 1.472,439 2.136,440 1,441 2.29,442 1,443 3.247,444 1.779,445 0.799,446 1.135,448 2.136,449 0.78,450 1.764,451 0.901,452 3.247,453 1.653,454 0.663,455 0.703,457 1.635,458 0.656,459 1.484,460 0.841,461 3.111,462 1.025,463 0.086,464 0.111,466 0.207,467 0.07,468 14.248,469 0.491,470 0.64,471 0.022,472 41,473 1.414,474 23,475 0.793,476 18,477 0.621,478 22.56,479 0.778,480 28.352,481 0.603,482 31.084,483 1.072,484 8.198,485 0.283,486 6.006,487 0.207,488 0.074,490 0.351,496 0.614,497 0.876,498 0.591,499 0.75,500 0.56,501 0.744,502 0.618,503 1.128,504 0.711,505 0.957,506 0.583,507 0.946,508 0.967,509 1.049,510 0.937,511 0.988,512 0.908,513 0.973,514 0.841,515 1.096,516 0.782,517 0.979,518 0.86,519 0.941,520 1.157,521 1.065,522 0.761,523 0.911,524 1.328,525 0.892,526 1.586,527 1.101,528 1.055,529 0.97,530 1.694,531 1.004,532 1.16,533 1.066,534 1.138,535 1.073,536 1.076,537 1.052,538 1.308,539 0.877,540 1.342,541 1.038,542 1.247,543 1.047,544 4.5,545 0.07,546 2.889,547 2,548 2.041,549 1.188,550 0.78,551 0.489,552 0.249,553 0.11,554 10170,555 27272,556 2.193,557 38.3,559 14,562 2,563 2,567 1.728,568 2.096,569 3.2,570 0.16,572 1,577 71.213,578 1.515,579 3.279,580 4.073,581 4.884,582 5.129,583 5.172,584 2.672,585 4.513,586 4.827,587 3.375,588 1370.18,589 8.455,590 17662.6,592 1,594 1,595 261.066,596 1.247,597 4.809,598 0.136,599 0.004,600 0.061,601 0.041,602 0.04,603 0.022,604 0.016,605 0.012,606 0.008,607 0.005,608 0.346,609 0.5,610 0.75,611 0.434,612 143.521,613 0.019,614 0.155,615 0.019,616 0.083,617 -0.045,618 0.066,619 0.064,620 -0.122,621 -0.025,622 -0.089,623 0.018,624 -0.092,625 -0.085,626 -0.054,627 -0.059,628 -0.047,629 -0.071,630 -0.034,631 0.094,632 -0.084,633 0.039,634 -0.051,635 0.075,636 -0.011,637 0.058,638 -0.023,639 0.069,640 0.009,641 0.025,642 0.019,643 -0.236,644 -0.068,645 -0.096,646 -0.029,647 -0.188,648 -0.087,649 0.042,650 -0.065,651 -0.005,652 -0.079,653 0.093,654 -0.07,655 -0.125,656 0.089,657 -0.113,658 0.002,659 -0.098,660 -0.014,661 1.812,662 6.145,663 0.931,664 24.973,665 1.001,666 1.106,667 4.571,668 20.894,669 0.732,670 3.526,671 3.871,672 4.205,673 4.554,674 4.852,675 4.984,676 5.182,677 5.323,678 5.455,679 5.481,680 5.818,681 0.698,682 399.9,683 3.526,684 5.081,685 5.958,686 6.862,687 7.763,688 8.676,689 9.588,690 10.507,691 11.425,692 12.347,693 6.4,695 1,700 1,702 1,709 13,714 5,716 18,734 1,735 47,737 21,738 3,739 33,741 51,742 24,743 18,744 5,745 13,746 4,748 5,749 6,750 1,751 1,757 2,760 2,762 22,763 2,767 3,772 1,775 1,776 4,780 1,783 18,784 4,785 2,786 5,787 1,792 3,797 0.8,798 1,815 1,816 4,820 1,829 1,835 2,843 4,848 1,851 29,858 1,860 2,863 1,873 1,874 2.1,877 1,881 13.833,882 8.426,883 6.278,884 2.802,886 3.498,887 1.435,888 1.05,889 4.608,890 11.534,891 3.829,892 4.437,893 5.042,894 5.651,895 6.239,896 6.5,897 6.947,898 7.339,899 7.715,900 7.913,901 1,902 49,903 10.719,905 4.709,906 7.67,907 20.56,909 17.507,911 2.17,912 62.944,915 1,916 188.338,917 155.372,918 52.562,919 39.149,920 25.145,923 155.372,924 252.631,925 52.562,927 20.545,928 141.079,929 32.606,930 38.848,932 188.338,933 39.149,934 188.338,935 207.934,936 25.145,937 39.149,939 188.338,940 25.145,943 55.097,944 152.838,945 39.149,947 188.338,948 77.707,949 194.521,952 188.338,953 32.181,954 123.191,955 35.899,956 80.957,957 188.338,958 77.707,959 194.521,961 0.581,962 0.346,963 0.204,964 0.121,965 25,966 10,967 0.059,968 3,969 1,970 1.074,971 3.974,972 279.78,973 0.074,974 27,975 132.881,981 18.019,982 7.415,983 3.32,985 77.707,986 25.6,991 4.401,993 35.899,994 460.566,995 45,1000 13.145,1003 4.554,1004 2.062,1007 47.025,1008 51.97,1009 0.273,1010 0.59,1011 0.733,1012 0.879,1013 0.923,1014 0.931,1015 5.072,1016 1.589,1017 5.943,1018 5.019,1019 4.554,1020 5.124,1021 1.611,1022 6.797,1023 4.511,1024 6.284,1025 1.31,1026 7.518,1027 3.986,1028 4.111,1029 4.808,1031 7.779,1032 4.027,1033 7.596,1034 1.106,1035 9.199,1036 3.056,1037 6.172,1038 7.295,1039 1.483,1040 10.956,1041 6.101,1042 8.945,1043 1,1044 10.946,1045 2.689,1046 6.594,1047 7.811,1049 12.829,1050 6.503,1051 10.328,1052 1,1053 12.737,1054 2.168,1055 8.101,1056 9.744,1057 1.461,1058 15.53,1059 8.014,1060 11.737,1061 0.799,1062 14.558,1063 2.136,1064 8.929,1065 10.677,1067 17.771,1068 8.832,1069 13.167,1070 0.663,1071 16.403,1072 2.136,1073 10.221,1074 12.358,1075 1.49,1076 20.326,1077 10.123,1078 3.346,1079 0.086,1080 18.266,1081 1.635,1082 11.242,1083 13.521,1085 22.721,1086 11.138,1087 2.914,1088 12.316,1089 20.142,1090 0.207,1091 12.455,1092 15.079,1093 1.547,1094 25.234,1095 12.349,1096 2.639,1097 9.463,1098 22.03,1099 4.327,1100 13.566,1101 16.371,1103 27.694,1104 13.455,1105 2.506,1106 8.76,1107 23.928,1108 3.677,1109 14.756,1110 17.87,1111 1.62,1112 30.197,1113 14.64,1114 2.181,1115 7.811,1116 25.834,1117 3.553,1118 15.909,1119 19.235,1121 32.685,1122 15.789,1123 1.968,1124 6.103,1125 27.746,1126 3.351,1127 17.095,1128 20.707,1129 1.702,1130 35.189,1131 16.97,1132 1.843,1133 5.545,1134 29.665,1135 2.856,1136 18.269,1137 22.114,1139 37.688,1140 18.14,1141 9421,1142 15566,1143 22.77,1144 34.421,1145 50.709,1146 51.553,1147 50.945,1148 50.035,1149 49.9,1150 66.627,1151 4.724,1152 146.059,1153 48.664,1154 5.652,1155 5.712,1156 6.895,1157 5.381,1158 5.346,1159 7.327,1160 2.117,1161 19.878,1162 5.322,1163 9.538,1164 1.537,1165 1.562,1166 1.544,1167 1.516,1168 1.512,1169 2.019,1170 0.143,1171 4.426,1172 1.475,1173 4.08,1174 4.105,1175 4.089,1176 4.018,1177 7.429,1178 4.02,1179 3.932,1180 3.965,1181 3.895,1182 3.866,1183 4.96,1184 3.861,1185 3.822,1186 3.852,1187 3.816,1188 3.767,1189 4.832,1190 3.758,1191 3.684,1192 3.732,1193 3.66,1194 3.562,1195 4.743,1196 3.57,1197 3.404,1198 3.434,1199 3.465,1200 3.25,1201 4.651,1202 3.26,1203 3.049,1204 3.097,1205 3.116,1206 2.895,1207 4.378,1208 2.906,1209 2.854,1210 2.925,1211 2.956,1212 2.757,1213 3.918,1214 2.751,1215 2.854,1216 2.925,1217 2.736,1218 2.735,1219 3.674,1220 2.715,1221 0.143,1222 0.112,1223 0.215,1224 0.131,1225 0.101,1226 4.705,1227 0.131,1228 3.712,1229 0.032,1230 7.093,1231 0.373,1232 4.339,1233 0.101,1234 3.346,1235 4.327,1236 1.058,1237 12.316,1238 3.322,1239 2.017,1240 2.001,1241 2.083,1242 2.087,1243 1.267,1244 2.087,1245 1.914,1246 1.885,1247 2.038,1248 1.996,1249 1.195,1250 2.012,1251 1.825,1252 1.799,1253 1.934,1254 1.909,1255 1.016,1256 1.923,1257 1.558,1258 1.532,1259 1.696,1260 1.681,1261 0.91,1262 1.683,1263 1.334,1264 1.279,1265 1.497,1266 1.55,1267 0.629,1268 1.546,1269 1.07,1270 1.003,1271 1.229,1272 1.39,1273 0.315,1274 1.346,1275 0.989,1276 0.942,1277 1.181,1278 1.156,1279 0.218,1280 1.172,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.205,1289 5.541,1290 2.398,1291 7.086,1292 4.595,1293 8.73,1294 6.605,1295 10.43,1298 6.299,1303 0.638,1305 6.2,1308 0.046,1314 32.821,1315 71.213,1316 154.099,1317 191.45,1318 229.556,1319 241.066,1320 243.066,1321 44.031,1322 8.036,1323 57.25,1324 57.25,1325 29,1326 12.855,1327 4.459,1328 3.7,1329 39.243,1330 97,1331 117,1332 0.193,1333 201.603,1334 354.58,1335 483.671,1336 34538,1337 2.1,1338 19.794,1339 0.683,1340 0.561,1341 20.294,1342 16.279,1343 14.204,1344 0.43,1345 0.299,1346 9.456,1347 13.635,1348 9.233,1349 7.609,1350 14.492,1351 9.867,1352 12.839,1353 0.273,1354 0.161,1355 13.247,1356 7.551,1357 11.149,1358 0.169,1359 0.084,1360 11.412,1361 5.517,1362 9.949,1363 0.106,1364 0.044,1365 10.168,1366 4.094,1367 8.55,1368 0.067,1369 0.023,1370 8.832,1371 2.957,1372 0.292,1373 90.29,1374 0.21,1375 26.844,1376 0.569,1377 160,1378 414.25,1379 183.229,1380 444.159,1381 611.44,1382 416,1383 193,1384 438.922,1385 210.997,1386 458.766,1387 675.21,1388 435,1389 5.1}
{0 CHEMBL1992922,1 1.626,2 7.762,3 1.22,4 1.489,5 81.692,6 7.685,7 0.696,8 3.736,9 3.856,10 3.311,11 3.231,12 4.921,13 3.236,14 4.214,15 4.372,16 3.63,17 3.615,18 5.34,19 3.589,20 4.448,21 4.661,22 3.692,23 3.709,24 5.518,25 3.658,26 4.486,27 4.699,28 3.682,29 3.691,30 5.666,31 3.642,32 4.454,33 4.676,34 3.618,35 3.672,36 5.562,37 3.613,38 4.418,39 4.634,40 3.577,41 3.609,42 5.521,43 3.558,44 4.404,45 4.642,46 3.347,47 3.439,48 5.61,49 3.353,50 4.152,51 4.426,52 2.753,53 3.142,54 5.16,55 2.984,56 0.091,57 0.571,58 7.458,59 3.003,60 14.43,61 3.852,62 0.238,63 0.887,64 13.053,65 5.022,66 30.368,67 6.55,68 0.309,69 1.027,70 18.233,71 6.179,72 34.484,73 8.896,74 0.464,75 1.034,76 19.585,77 6.312,78 59.155,79 8.776,80 0.358,81 1.018,82 18.662,83 5.849,84 41.187,85 8.529,86 0.222,87 0.979,88 17.576,89 5.582,90 26.237,91 8.074,92 0.476,93 0.853,94 18.824,95 5.355,96 50.23,97 7.794,98 0.266,99 0.597,100 15.618,101 4.996,102 37.656,103 7.109,104 11,105 31,106 0.293,107 0.671,108 0.78,109 0.817,110 0.831,111 0.831,112 3.104,113 0.873,114 -3.03,115 -3.03,116 -2.92,119 40.5,125 2,127 1,142 5,143 3,147 1,148 1,151 1,161 1,172 8,174 1,175 2,178 2,180 3,183 9,188 2,192 2,193 2,196 7,200 2,203 2,204 2,205 3,208 3,213 4,216 2,218 6,221 1,225 4,230 5,238 2,241 2,242 2,243 3,255 4,269 4,276 580,277 14.723,278 14.723,279 14.723,280 14.723,281 14.723,282 12.886,283 8.106,284 8.81,285 15.007,286 11.247,287 11.247,288 11.247,289 11.247,290 11.247,291 8.539,292 13.611,293 4.01,294 11.74,295 3.584,296 1.483,297 0.875,298 0.669,299 0.595,300 0.595,301 3.787,305 1,306 1,307 344,308 2.915,311 40.308,312 109.049,315 78.072,319 1.202,320 20.163,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 46,332 163,333 4.676,334 3.275,335 6.911,336 4.22,337 3.245,338 4.632,339 0.4,340 11.631,341 3.169,342 3.956,343 2.748,344 5.886,345 3.571,346 2.602,347 3.529,349 8.178,350 2.521,351 3.601,352 2.489,353 5.418,354 3.359,355 2.404,356 2.916,358 7.011,359 2.287,360 3.245,361 2.049,362 4.998,363 2.873,364 1.944,365 2.598,367 5.647,368 1.804,369 3.225,370 1.763,371 4.528,372 2.735,373 1.763,374 2.305,376 4.429,377 1.71,378 2.808,379 1.333,380 3.877,381 2.283,382 1.33,383 1.952,385 3.004,386 1.265,387 2.5,388 1.296,389 3.503,390 2,391 1,392 1.5,394 2.47,395 1,396 2.5,397 1,398 3.358,399 1.959,400 1,401 1.5,403 2.136,404 0.957,405 2.176,406 1,407 3.247,408 1.688,409 0.76,410 1.046,412 1.899,413 0.703,414 1.618,415 0.957,416 2.843,417 1.477,418 0.618,419 0.618,421 0.791,422 0.525,423 1.358,424 0.592,425 2.618,426 1.071,427 0.193,428 0.217,430 0.347,431 0.168,432 0.837,433 -0.155,434 2.347,435 0.467,436 -0.421,437 -0.491,439 -0.798,440 -0.372,441 0.819,442 -0.593,443 2.292,444 0.375,445 -0.593,446 -0.816,448 -1.407,449 -0.573,450 0.5,451 -0.904,452 2,454 -1,455 -1.283,457 -2.347,458 -0.945,459 0.5,460 -1,461 1.78,462 -0.044,463 -1,464 -1.5,466 -2.463,467 -0.975,468 9.767,469 0.465,470 0.342,471 0.016,472 28.5,473 1.357,474 14.5,475 0.69,476 14,477 0.667,478 13.962,479 0.665,480 22.633,481 0.612,482 19.498,483 0.928,484 5.857,485 0.279,486 4.473,487 0.213,488 0.068,490 0.307,496 1.071,497 1.284,498 0.823,499 0.97,500 1.032,501 0.867,502 0.962,503 1.026,504 0.962,505 0.976,506 0.999,507 0.976,508 0.743,509 1.121,510 0.85,511 0.977,512 0.704,513 0.936,514 0.99,515 0.954,516 0.954,517 0.896,518 0.992,519 0.919,520 0.88,521 1.041,522 0.998,523 0.955,524 0.75,525 0.977,526 0.983,527 1.283,528 1.052,529 1.196,530 0.802,531 1.127,532 1.089,533 0.939,534 1.22,535 1.091,536 1.08,537 1.154,538 1.121,539 0.799,540 1.144,541 1.044,542 1.182,543 1.096,544 3,545 0.025,546 2,547 1.375,548 0.934,549 0.524,550 0.415,551 0.292,552 0.054,553 0.051,554 3914,555 11567,556 2.102,557 43.2,559 10,560 1,561 1,562 4,567 1.639,568 2,569 2.991,570 1.921,571 1,572 1,574 1,577 60.146,578 1.626,579 3.726,580 4.335,581 4.54,582 4.615,583 4.615,584 2.439,585 3.821,586 4.362,587 3.086,588 648.086,589 7.511,590 6752.56,591 1,592 1,595 192.75,596 1.268,597 4.338,598 0.13,599 0.012,600 0.065,601 0.043,602 0.03,603 0.018,604 0.015,605 0.015,606 0.005,607 0.009,608 0.343,609 0.33,610 1,611 1.274,612 93.003,613 -0.187,614 -0.089,615 -0.006,616 0.074,617 -0.182,618 0.068,619 -0.078,620 0.118,621 -0.102,622 0.036,623 -0.17,624 -0.036,625 0.064,626 -0.089,627 0.078,628 0.012,629 0.023,630 0.04,631 0.051,632 0.055,633 0.012,634 0.068,635 0.032,636 0.032,637 -0.019,638 0.001,639 -0.055,640 -0.001,641 0.013,642 -0.025,643 -0.118,644 -0.24,645 -0.117,646 -0.244,647 -0.028,648 -0.18,649 0.064,650 0.029,651 -0.207,652 -0.182,653 0.058,654 -0.228,655 -0.119,656 0.023,657 -0.103,658 -0.061,659 -0.072,660 -0.071,661 1.79,662 3.223,663 0.714,664 14.458,665 1.01,666 1.133,667 1.799,668 3.235,669 0.662,670 3.178,671 3.466,672 3.784,673 4.078,674 4.29,675 4.369,676 4.489,677 4.554,678 4.477,679 4.419,680 4.823,681 0.64,682 284.35,683 3.178,684 4.691,685 5.549,686 6.428,687 7.311,688 8.205,689 9.099,690 9.999,691 10.899,692 11.803,693 10.8,698 1,701 1,703 2,708 2,709 7,710 2,711 1,714 3,716 16,728 1,735 37,737 16,738 1,739 23,741 39,742 15,743 12,744 1,745 5,748 3,749 4,754 2,760 1,762 12,763 3,779 1,780 1,783 16,784 5,785 4,786 6,792 4,797 0.667,798 2,799 2,810 1,811 1,815 1,816 2,819 1,841 2,843 2,851 21,857 2,858 2,860 1,863 1,874 5.4,875 2,881 10.5,882 6.217,883 4.861,884 2.003,886 3.167,887 1.463,888 0.94,889 4.038,890 10.011,891 3.466,892 4.073,893 4.742,894 5.408,895 5.959,896 6.31,897 6.768,898 7.195,899 7.389,900 7.67,901 1,902 32,903 7.72,905 3.261,906 7.865,907 14.558,909 11.81,911 2.365,912 49.667,916 141.253,917 78.035,918 68.367,920 85.367,923 78.035,924 226.62,925 68.367,928 141.795,929 65.068,930 34.348,931 14.099,932 117.711,934 141.253,935 146.402,936 85.367,939 141.253,941 85.367,943 27.119,944 67.701,945 51.582,947 141.253,948 153.734,949 78.035,952 141.253,953 12.987,954 65.047,955 34.796,956 118.938,957 141.253,958 153.734,959 78.035,961 0.561,962 0.346,963 0.196,964 0.106,965 15,966 6,967 0.128,968 5,969 1,970 1.133,971 3.295,972 163.842,973 0.133,974 15,975 84.239,981 13.86,982 6.119,983 2.704,984 1.552,985 136.948,986 13.241,987 8.452,988 3.12,991 2.614,993 120.163,994 373.022,995 31,1007 37.363,1008 41.903,1009 0.312,1010 0.715,1011 0.832,1012 0.872,1013 0.886,1014 0.886,1015 4.663,1016 1,1017 5.509,1018 2.47,1019 4.143,1020 4.758,1021 0.278,1022 6.333,1023 4.063,1024 5.858,1025 0.76,1026 7.067,1027 2.136,1028 3.611,1029 4.477,1031 7.302,1032 3.53,1033 7.159,1034 0.618,1035 8.734,1036 1.899,1037 5.727,1038 7.021,1039 0.05,1040 10.451,1041 5.587,1042 8.508,1043 0.193,1044 10.469,1045 0.791,1046 6.111,1047 7.704,1049 12.325,1050 5.971,1051 9.897,1052 -0.421,1053 12.251,1054 0.347,1055 7.634,1056 9.646,1057 0.008,1058 14.994,1059 7.451,1060 11.316,1061 -0.593,1062 14.065,1063 -0.798,1064 8.444,1065 10.79,1067 17.224,1068 8.256,1069 12.76,1070 -1,1071 15.903,1072 -1.407,1073 9.737,1074 12.486,1075 0.001,1076 19.745,1077 9.517,1078 3.245,1079 -1,1080 17.759,1081 -2.347,1082 10.746,1083 13.845,1085 22.112,1086 10.514,1087 2.602,1088 11.631,1089 19.63,1090 -2.463,1091 11.953,1092 15.44,1094 24.587,1095 11.696,1096 2.404,1097 8.178,1098 21.511,1099 4.632,1100 13.053,1101 16.896,1103 27.007,1104 12.778,1105 1.944,1106 7.011,1107 23.402,1108 3.529,1109 14.231,1110 18.452,1112 29.466,1113 13.934,1114 1.763,1115 5.647,1116 25.301,1117 2.916,1118 15.371,1119 19.95,1121 31.906,1122 15.053,1123 1.33,1124 4.429,1125 27.205,1126 2.598,1127 16.542,1128 21.49,1130 34.361,1131 16.202,1132 1,1133 3.004,1134 29.115,1135 2.305,1136 17.701,1137 23.008,1139 36.809,1140 17.339,1141 3893,1142 6754,1143 15.603,1144 24.5,1145 33.673,1146 34.591,1147 35.226,1148 33.623,1149 33.717,1150 45.626,1151 0.8,1152 95.087,1153 32.219,1154 5.498,1155 5.275,1156 6.713,1157 5.298,1158 5.245,1159 7.632,1160 0.8,1161 18.84,1162 5.169,1163 8.111,1164 1.464,1165 1.504,1166 1.532,1167 1.462,1168 1.466,1169 1.984,1170 0.035,1171 4.134,1172 1.401,1173 4.13,1174 4.17,1175 4.102,1176 4.022,1177 6.469,1178 4.035,1179 3.82,1180 3.859,1181 3.751,1182 3.728,1183 6.443,1184 3.732,1185 3.66,1186 3.717,1187 3.537,1188 3.454,1189 5.123,1190 3.465,1191 3.296,1192 3.372,1193 3.217,1194 3.075,1195 4.741,1196 3.101,1197 3.035,1198 3.089,1199 2.869,1200 2.737,1201 4.453,1202 2.759,1203 2.951,1204 3.023,1205 2.826,1206 2.735,1207 4.139,1208 2.715,1209 2.854,1210 2.925,1211 2.687,1212 2.657,1213 3.712,1214 2.679,1215 2.755,1216 2.833,1217 2.621,1218 2.556,1219 3.674,1220 2.566,1221 0.203,1222 0.142,1223 0.3,1224 0.183,1225 0.141,1226 4.676,1227 0.201,1228 3.275,1229 0.017,1230 6.911,1231 0.506,1232 4.22,1233 0.138,1234 3.245,1235 4.632,1236 0.4,1237 11.631,1238 3.169,1239 1.943,1240 1.92,1241 2.039,1242 2.04,1243 1.172,1244 2.032,1245 1.78,1246 1.735,1247 1.888,1248 1.955,1249 1.107,1250 1.947,1251 1.567,1252 1.513,1253 1.747,1254 1.814,1255 0.858,1256 1.801,1257 1.415,1258 1.359,1259 1.569,1260 1.611,1261 0.593,1262 1.605,1263 0.922,1264 0.852,1265 1.305,1266 1.333,1267 0.403,1268 1.318,1269 0.914,1270 0.842,1271 1.181,1272 1.136,1273 0.218,1274 1.136,1275 0.886,1276 0.821,1277 1.119,1278 1.068,1279 0.136,1280 1.107,1281 0.715,1282 0.639,1283 0.996,1284 1.062,1285 0.005,1286 1.048,1287 3.85,1289 5.142,1290 2.398,1291 6.65,1292 4.727,1293 8.258,1294 6.862,1295 9.921,1302 18.445,1303 -0.347,1305 3.047,1308 -0.457,1314 23.676,1315 60.146,1316 137.879,1317 160.385,1318 167.995,1319 170.75,1320 170.75,1321 30.816,1322 6.844,1323 94.06,1324 94.06,1325 17,1326 12.324,1327 4.087,1328 3.17,1329 31.891,1330 58,1331 59,1332 0.27,1333 147.153,1334 241.38,1335 350.814,1336 7541,1338 14.656,1339 0.698,1340 0.539,1341 14.656,1342 11.322,1343 10.33,1344 0.449,1345 0.291,1346 6.578,1347 9.906,1348 6.48,1349 5.363,1350 10.33,1351 6.689,1352 8.586,1353 0.277,1354 0.152,1355 8.586,1356 4.721,1357 7.65,1358 0.178,1359 0.078,1360 7.65,1361 3.336,1362 6.484,1363 0.112,1364 0.039,1365 6.484,1366 2.26,1367 5.142,1368 0.071,1369 0.02,1370 5.142,1371 1.463,1372 0.404,1373 65.165,1374 0.253,1375 20.373,1376 0.802,1377 108,1378 320.255,1379 118.261,1380 309.945,1381 424.29,1382 292,1383 128,1384 305.904,1385 138.595,1386 311.757,1387 458.04,1388 294,1389 6.9}
{0 CHEMBL1992937,1 1.736,2 9.25,3 3.206,4 10.281,5 73.451,6 8.687,7 0.727,8 3.589,9 3.707,10 3.279,11 3.095,12 4.871,13 3.121,14 4.042,15 4.187,16 3.638,17 3.46,18 5.455,19 3.472,20 4.208,21 4.392,22 3.577,23 3.48,24 5.451,25 3.477,26 4.251,27 4.484,28 3.396,29 3.328,30 5.467,31 3.302,32 3.953,33 4.171,34 3.281,35 3.063,36 5.277,37 3.08,38 3.754,39 3.944,40 3.155,41 3.014,42 5.066,43 3.02,44 3.719,45 3.924,46 2.975,47 2.974,48 4.95,49 2.928,50 3.621,51 3.82,52 2.78,53 2.879,54 4.8,55 2.824,56 0.162,57 0.522,58 4.644,59 2.19,60 2.778,61 2.606,62 0.293,63 0.788,64 8.438,65 3.894,66 40.027,67 4.744,68 0.278,69 0.872,70 11.027,71 3.96,72 13.389,73 4.957,74 0.454,75 0.792,76 15.025,77 4.445,78 45.833,79 5.796,80 0.36,81 0.606,82 10.783,83 2.995,84 40.444,85 4.042,86 0.278,87 0.523,88 7.62,89 2.449,90 18.611,91 3.056,92 0.26,93 0.479,94 8.144,95 2.912,96 26.555,97 3.844,98 0.214,99 0.43,100 6.97,101 2.565,102 21.167,103 3.065,104 11,105 31,106 0.32,107 0.688,108 0.804,109 0.873,110 0.873,111 0.873,112 3.057,113 0.812,114 -3.98,115 -3.93,116 -3.73,119 41.9,120 1,142 5,143 1,144 1,145 1,146 1,147 1,152 1,162 1,166 2,172 4,174 1,175 5,178 3,179 1,180 2,183 3,188 8,193 3,196 2,199 2,200 4,203 1,205 4,212 2,213 1,216 1,218 3,225 3,228 3,230 1,233 2,238 2,241 2,243 1,246 3,249 1,250 1,258 3,263 2,264 3,272 3,276 464,277 13.326,278 13.326,279 13.326,280 13.326,281 13.326,282 11.136,283 16.865,284 7.782,285 13.617,286 10.872,287 10.872,288 10.872,289 10.872,290 10.872,291 7.612,292 24.114,293 3.748,294 11.368,295 3.218,296 1.222,297 0.592,298 0.218,299 0.218,300 0.218,301 3.736,304 1,305 1,306 1,307 396,308 2.646,311 40.767,312 114.362,315 77.594,319 1.475,320 21.933,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 44.5,332 185,333 4.518,334 3.781,335 6.307,336 4.003,337 3.047,338 4.462,339 2.612,340 9.682,341 2.916,342 4.126,343 3.044,344 5.85,345 3.633,346 2.683,347 3.759,348 0.4,349 8.032,350 2.55,351 4.003,352 2.741,353 5.513,354 3.513,355 2.551,356 3.613,358 7.382,359 2.453,360 3.529,361 2.419,362 5.062,363 3.138,364 2.174,365 2.86,367 6.092,368 2.087,369 3.235,370 2.031,371 4.756,372 2.737,373 1.793,374 2.521,376 5.226,377 1.688,378 3.031,379 1.739,380 4.432,381 2.484,382 1.521,383 2.289,385 4.338,386 1.463,387 2.881,388 1.515,389 3.785,390 2.209,391 1.218,392 1.988,394 2.897,395 1.206,396 2.5,397 1,398 3.414,399 1.959,400 1,401 1.5,403 2.275,404 0.956,405 1.903,406 1,407 3.141,408 1.342,409 0.393,410 0.592,412 1.025,413 0.372,414 1.429,415 0.464,416 2.922,417 1.102,418 0.165,419 0.2,421 0.401,422 0.154,423 1,424 0.396,425 2.324,426 0.483,427 -0.471,428 -0.592,430 -1.227,431 -0.447,432 0.89,433 -0.233,434 2,435 0.225,436 -0.741,437 -1.028,439 -2,440 -0.713,441 0.653,442 -0.517,443 2,444 0.044,445 -0.928,446 -1.343,448 -2.058,449 -0.898,450 0.537,451 -0.866,452 2,454 -1,455 -1.5,457 -2.723,458 -0.973,459 0.5,460 -1,461 1.612,462 -0.025,463 -1,464 -1.582,466 -3,467 -1,468 9.167,469 0.458,470 0.558,471 0.028,472 31.25,473 1.563,474 17.5,475 0.875,476 13.75,477 0.688,478 10.631,479 0.532,480 20.833,481 0.672,482 20.193,483 1.01,484 6.244,485 0.312,486 3.37,487 0.168,488 0.127,490 0.371,496 0.523,497 1.251,498 0.643,499 0.915,500 0.521,501 0.82,502 0.437,503 1.081,504 0.657,505 1.027,506 0.35,507 0.925,508 0.938,509 1.375,510 1.063,511 1.213,512 0.596,513 1.152,514 1.122,515 0.925,516 1.089,517 0.955,518 1.069,519 0.997,520 1,521 1.069,522 0.863,523 0.854,524 0.946,525 0.821,526 0.893,527 0.8,528 0.985,529 0.823,530 0.788,531 0.88,532 0.718,533 0.915,534 0.945,535 0.939,536 0.802,537 0.998,538 1.09,539 0.74,540 1.285,541 1.016,542 1.1,543 1.159,544 5,545 0.065,546 2,547 1.354,548 0.916,549 0.594,550 0.425,551 0.128,552 0.209,553 0.097,554 3949,555 13152,556 2.077,557 35.5,558 3,559 5,561 1,562 2,567 1.613,568 1.935,569 3.206,570 0.459,572 1,574 1,577 53.811,578 1.736,579 3.732,580 4.362,581 4.736,582 4.736,583 4.736,584 2.709,585 3.784,586 4.291,587 3.322,588 631.126,589 7.309,590 6446.74,591 1,592 1,593 1,594 1,595 153.58,596 1.441,597 4.248,598 0.227,599 0.009,600 0.065,601 0.048,602 0.042,603 0.03,604 0.024,605 0.009,606 0.017,607 0.01,608 0.48,609 0.67,610 1,611 0.843,612 89.176,613 0.141,614 -0.073,615 0.043,616 0.049,617 -0.037,618 0.023,619 0.286,620 0.02,621 0.122,622 -0.044,623 0.271,624 -0.021,625 -0.191,626 -0.314,627 -0.204,628 -0.283,629 -0.028,630 -0.242,631 -0.125,632 0.001,633 -0.031,634 -0.015,635 -0.113,636 -0.003,637 0.038,638 -0.109,639 0.173,640 0.059,641 0.031,642 0.132,643 0.032,644 0.255,645 -0.073,646 0.093,647 0.012,648 0.02,649 0.123,650 0.023,651 0.032,652 0.076,653 0.023,654 0.032,655 -0.21,656 0.231,657 -0.344,658 -0.023,659 -0.228,660 -0.172,661 2.442,662 3.716,663 0.75,664 15.36,665 1.026,666 1.134,667 2.748,668 7.551,669 0.685,670 3.135,671 3.466,672 3.689,673 3.932,674 4.159,675 4.205,676 4.344,677 4.407,678 4.382,679 4.443,680 5.411,681 0.681,682 269.29,683 3.135,684 4.673,685 5.509,686 6.382,687 7.239,688 8.115,689 8.981,690 9.859,691 10.731,692 11.61,693 16.1,701 2,703 2,704 1,708 2,709 6,710 2,711 1,714 4,716 16,728 1,729 1,735 31,737 18,738 1,739 22,741 33,742 13,743 12,744 3,745 3,748 3,749 4,754 1,762 12,763 1,767 2,769 1,772 2,779 1,780 1,783 11,784 5,785 2,786 7,789 1,792 5,797 0.667,798 2,809 1,815 1,816 2,819 1,843 2,847 1,851 20,860 1,874 6.5,880 2,881 10.333,882 5.933,883 4.306,884 1.701,886 3.25,887 1.481,888 1.01,889 3.085,890 10.002,891 3.497,892 4.171,893 4.742,894 5.351,895 5.91,896 6.24,897 6.704,898 7.085,899 7.243,900 7.623,901 1,902 28,903 7.31,905 3.123,906 8.05,907 13.48,909 10.774,911 2.55,912 51,916 105.94,917 79.711,918 74.037,920 50.747,923 79.711,924 156.687,925 74.037,926 14.495,928 47.381,929 45.342,930 53.829,931 4.472,932 94.169,933 50.747,934 105.94,935 153.749,936 50.747,939 105.94,941 50.747,943 56.712,944 57.796,945 39.241,947 105.94,948 124.784,949 79.711,952 105.94,953 14.458,954 70.924,955 34.796,956 84.318,957 105.94,958 124.784,959 79.711,961 0.589,962 0.328,963 0.166,964 0.096,965 16,966 7,967 0.091,968 3,969 1,970 1.133,971 3.3,972 148.307,973 0.133,974 15,975 84.439,981 12.573,982 4.907,983 2.632,984 1.263,985 102.329,986 10.02,987 8.473,988 3.04,991 2.237,993 34.796,994 310.436,995 32,997 -0.442,1000 21.433,1007 31.814,1008 35.156,1009 0.35,1010 0.753,1011 0.88,1012 0.956,1013 0.956,1014 0.956,1015 4.71,1016 1,1017 5.501,1018 2.897,1019 4.143,1020 4.856,1021 2.527,1022 6.279,1023 4.056,1024 5.951,1025 0.393,1026 7.041,1027 2.275,1028 3.761,1029 4.783,1030 2.361,1031 7.071,1032 3.633,1033 7.273,1034 0.165,1035 8.672,1036 1.025,1037 5.714,1038 7.147,1039 4.155,1040 10.114,1041 5.536,1042 8.629,1043 -0.471,1044 10.352,1045 0.401,1046 6.089,1047 7.86,1048 4.506,1049 11.693,1050 5.865,1051 10.012,1052 -0.741,1053 12.064,1054 -1.227,1055 7.543,1056 9.714,1057 5.948,1058 14.242,1059 7.276,1060 11.413,1061 -0.928,1062 13.797,1063 -2,1064 8.274,1065 10.805,1066 6.556,1067 16.178,1068 7.958,1069 12.83,1070 -1,1071 15.546,1072 -2.058,1073 9.517,1074 12.445,1075 7.794,1076 18.541,1077 9.162,1078 3.047,1079 -1,1080 17.308,1081 -2.723,1082 10.427,1083 13.727,1084 8.548,1085 20.647,1086 10.022,1087 2.683,1088 9.682,1089 19.079,1090 -3,1091 11.578,1092 15.273,1093 9.67,1094 22.939,1095 11.134,1096 2.551,1097 8.032,1098 20.859,1099 4.462,1100 12.578,1101 16.654,1102 10.509,1103 25.126,1104 12.085,1105 2.174,1106 7.382,1107 22.646,1108 3.759,1109 13.692,1110 18.16,1111 11.563,1112 27.394,1113 13.159,1114 1.793,1115 6.092,1116 24.439,1117 3.613,1118 14.739,1119 19.592,1120 12.452,1121 29.62,1122 14.158,1123 1.521,1124 5.226,1125 26.236,1126 2.86,1127 15.839,1128 21.083,1129 13.468,1130 31.881,1131 15.217,1132 1.218,1133 4.338,1134 28.039,1135 2.521,1136 16.911,1137 22.542,1138 14.386,1139 34.127,1140 16.243,1141 3864,1142 7202,1143 14.622,1144 21.222,1145 33.269,1146 34.383,1147 33.997,1148 33.061,1149 33.092,1150 47.568,1151 6.025,1152 94.7,1153 31.691,1154 5.283,1155 5.781,1156 5.721,1157 5.062,1158 5.047,1159 7.462,1160 4.612,1161 16.093,1162 4.916,1163 9.743,1164 1.512,1165 1.563,1166 1.545,1167 1.503,1168 1.504,1169 2.162,1170 0.274,1171 4.305,1172 1.441,1173 4.129,1174 4.171,1175 4.101,1176 3.986,1177 7.815,1178 4.007,1179 3.882,1180 3.924,1181 3.827,1182 3.773,1183 6.999,1184 3.779,1185 3.681,1186 3.719,1187 3.666,1188 3.324,1189 5.081,1190 3.39,1191 3.262,1192 3.328,1193 3.17,1194 3.018,1195 4.862,1196 3.038,1197 3.078,1198 3.148,1199 2.936,1200 2.841,1201 4.295,1202 2.865,1203 2.866,1204 2.933,1205 2.753,1206 2.631,1207 3.974,1208 2.672,1209 2.762,1210 2.849,1211 2.622,1212 2.542,1213 3.835,1214 2.554,1215 2.644,1216 2.754,1217 2.429,1218 2.359,1219 3.786,1220 2.372,1221 0.205,1222 0.172,1223 0.287,1224 0.182,1225 0.139,1226 4.518,1227 0.203,1228 3.781,1229 0.119,1230 6.307,1231 0.44,1232 4.003,1233 0.133,1234 3.047,1235 4.462,1236 2.612,1237 9.682,1238 2.916,1239 1.934,1240 1.908,1241 2.008,1242 2.097,1243 1.115,1244 2.058,1245 1.856,1246 1.816,1247 1.978,1248 1.999,1249 1.041,1250 1.992,1251 1.425,1252 1.353,1253 1.574,1254 1.752,1255 0.599,1256 1.688,1257 1.219,1258 1.182,1259 1.428,1260 1.624,1261 0.436,1262 1.54,1263 1.108,1264 1.036,1265 1.211,1266 1.364,1267 0.189,1268 1.385,1269 0.838,1270 0.771,1271 1.105,1272 1.055,1273 0.113,1274 1.075,1275 0.733,1276 0.646,1277 1.038,1278 0.986,1279 0.036,1280 1.008,1281 0.589,1282 0.512,1283 0.862,1284 0.935,1286 0.937,1287 3.807,1289 5.13,1290 2.398,1291 6.632,1292 4.727,1293 8.213,1294 6.823,1295 9.836,1297 1.955,1305 3.022,1314 21.117,1315 53.811,1316 115.706,1317 135.216,1318 146.825,1319 146.825,1320 146.825,1321 27.763,1322 6.752,1323 99.42,1324 99.42,1325 17,1326 12.148,1327 4.248,1328 3.459,1329 30.129,1330 65,1331 64,1332 0.234,1333 131.835,1334 215.14,1335 313.439,1336 6849,1338 14.113,1339 0.706,1340 0.531,1341 14.113,1342 10.622,1343 9.614,1344 0.437,1345 0.271,1346 5.847,1347 9.115,1348 5.715,1349 4.773,1350 9.614,1351 5.955,1352 9.036,1353 0.291,1354 0.142,1355 9.036,1356 4.39,1357 7.197,1358 0.185,1359 0.073,1360 7.197,1361 2.835,1362 5.749,1363 0.115,1364 0.037,1365 5.749,1366 1.83,1367 4.777,1368 0.076,1369 0.019,1370 4.777,1371 1.222,1372 0.366,1373 61.263,1374 0.262,1375 20.033,1376 0.642,1377 106,1378 369.072,1379 120.281,1380 357.969,1381 482.92,1382 330,1383 123,1384 366.154,1385 137.007,1386 364.91,1387 524.87,1388 341,1389 5.3}
{0 CHEMBL1993166,1 1.591,2 22.875,3 -2.22,4 4.927,5 216.423,6 7.12,7 0.211,8 4.765,9 4.941,10 4.239,11 4.122,12 6,13 4.125,14 5.22,15 5.444,16 4.543,17 4.463,18 6.432,19 4.424,20 5.456,21 5.694,22 4.582,23 4.622,24 6.603,25 4.571,26 5.581,27 5.843,28 4.61,29 4.704,30 6.606,31 4.629,32 5.6,33 5.84,34 4.718,35 4.756,36 6.669,37 4.69,38 5.699,39 5.944,40 4.737,41 4.804,42 6.842,43 4.731,44 5.817,45 6.108,46 4.73,47 4.807,48 6.895,49 4.709,50 5.735,51 6.002,52 4.68,53 4.726,54 6.892,55 4.648,56 0.355,57 1.638,58 24.877,59 6.763,60 47.521,61 11.626,62 0.825,63 2.228,64 41.354,65 12.358,66 91.105,67 19.947,68 1.05,69 2.581,70 53.794,71 12.804,72 131.011,73 22.57,74 0.973,75 2.718,76 62.011,77 15.691,78 115.721,79 27.406,80 0.832,81 2.884,82 61.912,83 17.04,84 107.765,85 28.862,86 1.234,87 3.029,88 69.041,89 16.696,90 141.91,91 29.639,92 1.451,93 2.942,94 81.18,95 19.225,96 186.576,97 34.543,98 1.829,99 2.761,100 75.244,101 17.011,102 226.204,103 29.621,104 290,105 75,106 0.228,107 0.515,108 0.626,109 0.644,110 0.644,111 0.644,112 4.045,113 0.898,114 -2.71,115 -2.73,116 -2.65,119 30.3,120 4,121 2,124 1,125 4,142 6,143 4,144 2,157 4,159 6,163 8,164 8,165 8,166 4,172 8,175 10,177 8,178 12,179 6,180 6,182 8,183 12,186 4,188 16,190 8,191 8,193 4,196 12,200 18,203 2,205 8,208 5,213 12,216 4,218 24,221 4,223 16,224 4,225 10,228 6,230 20,233 6,235 16,237 8,238 8,241 4,243 12,246 4,248 8,249 6,250 6,253 4,254 9,255 10,257 8,258 2,260 8,264 8,266 8,267 8,269 8,272 4,274 8,276 9150,277 35.843,278 35.843,279 35.843,280 35.843,281 35.843,282 31.699,283 53.519,284 21.738,285 36.807,286 28.126,287 28.126,288 28.126,289 28.126,290 28.126,291 22.249,292 69.143,293 10.495,294 29.491,295 5.177,296 3.173,297 2.397,298 2.273,299 2.273,300 2.273,301 4.712,307 2573,308 7.348,312 507.45,319 3.366,320 62.194,323 0.25,324 0.33,325 0.33,326 0.7,327 0.5,328 0.17,330 0.33,331 124.5,332 1281,333 4.376,334 3.548,335 6.231,336 3.98,337 2.994,338 4.022,339 1.656,340 9.385,341 2.953,342 4.376,343 3.548,344 6.231,345 3.98,346 2.994,347 4.022,348 1.656,349 9.385,350 2.953,351 4,352 3.194,353 5.871,354 3.575,355 2.601,356 3.393,357 1.072,358 8.03,359 2.534,360 4,361 3.194,362 5.871,363 3.575,364 2.601,365 3.393,366 1.072,367 8.03,368 2.534,369 3.813,370 3.025,371 5.413,372 3.46,373 2.497,374 3.127,375 1.072,376 7.114,377 2.393,378 3.813,379 3.025,380 5.413,381 3.455,382 2.49,383 3.127,384 1.072,385 7.114,386 2.39,387 3.648,388 2.76,389 5.036,390 3.297,391 2.373,392 2.883,393 0.8,394 6.095,395 2.193,396 3.647,397 2.76,398 4.823,399 3.144,400 2.217,401 2.883,402 0.782,403 5.499,404 2.059,405 3.582,406 2.708,407 4.819,408 3.139,409 2.213,410 2.814,411 0.782,412 5.49,413 2.051,414 3.582,415 2.688,416 4.66,417 3.077,418 2.159,419 2.814,420 0.782,421 5.157,422 1.978,423 3.4,424 2.688,425 4.66,426 3.077,427 2.159,428 2.567,429 0.782,430 5.157,431 1.978,432 3.371,433 2.42,434 4.657,435 2.955,436 1.99,437 2.564,438 0.247,439 5.127,440 1.906,441 3.343,442 2.42,443 4.656,444 2.941,445 1.974,446 2.37,447 0.247,448 5.124,449 1.894,450 2.882,451 1.759,452 4.15,453 2.482,454 1.502,455 1.939,457 3.687,458 1.468,459 2.88,460 1.727,461 4.149,462 2.369,463 1.409,464 1.937,466 3.68,467 1.349,468 25.567,469 0.457,470 1.661,471 0.03,472 63.75,473 1.138,474 28,475 0.5,476 35.75,477 0.638,478 64.123,479 1.145,480 65.033,481 0.597,482 69.004,483 1.232,484 13.93,485 0.249,486 12.494,487 0.223,488 0.249,490 0.329,496 1.047,497 1.452,498 0.94,499 1.14,500 1.042,501 1.019,502 0.479,503 1.11,504 0.747,505 1.102,506 0.343,507 0.991,508 1.257,509 1.037,510 1.165,511 1.021,512 1.06,513 1.064,514 1.052,515 1.063,516 0.96,517 1.004,518 0.87,519 0.968,520 0.955,521 1.327,522 0.897,523 1.224,524 0.972,525 1.082,526 1.102,527 1.225,528 1.145,529 1.246,530 1.096,531 1.208,532 0.828,533 1.029,534 0.846,535 1.027,536 0.88,537 0.95,538 1.303,539 0.915,540 1.052,541 0.95,542 1.535,543 0.984,544 14.5,545 0.339,546 5.556,547 3.25,548 2.907,549 2.236,550 1.544,551 1.069,552 0.994,553 0.591,554 73005,555 227651,556 1.879,557 48.6,559 17,562 20,563 12,565 4,567 1.873,568 1.714,569 4.387,570 15.241,577 173.449,578 1.591,579 3.595,580 4.371,581 4.495,582 4.495,583 4.495,584 3.695,585 4.057,586 5.784,587 4.708,588 7250.1,589 10.291,590 190283,595 737.732,596 1.555,597 5.703,598 0.254,599 0.005,600 0.074,601 0.043,602 0.037,603 0.025,604 0.018,605 0.013,606 0.013,607 0.008,608 0.49,609 0.17,610 0.5,611 1.701,612 362.705,613 -0.14,614 -0.014,615 -0.017,616 0.059,617 -0.208,618 0.05,619 0.356,620 0.12,621 0.189,622 0.056,623 0.341,624 0.082,625 -0.225,626 0.141,627 -0.192,628 0.03,629 -0.148,630 -0.061,631 -0.133,632 0.002,633 0.005,634 0.073,635 -0.063,636 0.07,637 -0.031,638 -0.213,639 0.055,640 -0.079,641 -0.02,642 -0.008,643 -0.1,644 -0.103,645 -0.174,646 -0.184,647 -0.111,648 -0.191,649 0.117,650 -0.096,651 0.141,652 -0.017,653 0.079,654 0.062,655 -0.018,656 0.042,657 -0.031,658 0.031,659 -0.08,660 -0.011,661 2.075,662 5.774,663 0.214,664 101.949,665 1.009,666 1.161,667 1.485,668 2.204,669 0.617,670 4.06,671 4.331,672 4.419,673 4.585,674 4.812,675 4.883,676 4.99,677 5.011,678 5.004,679 4.97,680 14.15,681 0.59,682 776.07,683 4.06,684 5.58,685 6.361,686 7.2,687 8.01,688 8.854,689 9.681,690 10.531,691 11.368,692 12.222,693 19.3,694 8,696 1,700 4,702 8,709 6,714 6,716 12,719 4,735 109,737 22,738 2,739 57,741 110,742 33,743 12,744 6,745 6,746 8,748 2,749 2,752 4,753 2,754 4,760 2,762 22,763 11,767 10,772 2,775 8,776 10,783 53,784 23,785 20,786 23,792 21,797 1,798 2,816 2,836 8,839 1,843 2,847 5,851 56,852 8,858 6,860 4,864 1,874 1.8,877 2,881 32.667,882 19.8,883 12.611,884 5.585,886 3.435,887 1.42,888 0.942,889 20.287,890 11.622,891 4.304,892 4.828,893 5.196,894 5.71,895 6.229,896 6.533,897 6.937,898 7.203,899 7.445,900 7.599,901 1,902 76,903 20.464,905 8.13,906 7.994,907 37.682,909 28.052,911 2.494,912 139.667,916 388.446,917 159.477,918 471.649,920 50.29,923 159.477,924 438.736,925 471.649,926 43.697,927 348.712,928 56.857,929 61.317,930 154.684,931 16.148,932 388.446,934 388.446,935 631.126,936 50.29,939 341.362,940 97.374,943 520.442,944 110.685,947 388.446,948 521.939,949 159.477,952 388.446,953 58.923,954 103.679,955 72.043,956 446.771,957 388.446,958 521.939,959 159.477,961 0.572,962 0.29,963 0.139,964 0.087,965 23,966 17,967 0.164,968 18,970 1,971 6.141,972 537.8,974 12,975 227.212,981 46.842,982 24.254,983 19.222,985 521.939,986 10.43,991 3.437,993 335.221,994 1069.86,995 73,1000 25.548,1003 30.849,1004 0.338,1007 109.93,1008 126.526,1009 0.235,1010 0.531,1011 0.646,1012 0.664,1013 0.664,1014 0.664,1015 5.533,1016 2.217,1017 6.34,1018 6.095,1019 5.017,1020 5.517,1021 3.157,1022 7.052,1023 4.933,1024 6.741,1025 2.213,1026 7.849,1027 5.499,1028 4.635,1029 5.338,1030 2.246,1031 7.774,1032 4.51,1033 8.035,1034 2.159,1035 9.449,1036 5.49,1037 6.526,1038 7.589,1039 3.435,1040 10.782,1041 6.376,1042 9.354,1043 2.159,1044 11.101,1045 5.157,1046 6.858,1047 8.108,1048 3.211,1049 12.277,1050 6.685,1051 10.694,1052 1.99,1053 12.786,1054 5.157,1055 8.272,1056 9.913,1057 4.074,1058 14.826,1059 8.077,1060 12.051,1061 1.974,1062 14.495,1063 5.127,1064 8.945,1065 10.789,1066 4.187,1067 16.688,1068 8.744,1069 13.421,1070 1.502,1071 16.222,1072 5.124,1073 10.16,1074 12.391,1075 4.905,1076 19.048,1077 9.941,1078 2.994,1079 1.409,1080 17.964,1081 3.687,1082 11.018,1083 13.477,1084 5.194,1085 21.095,1086 10.799,1087 2.994,1088 9.385,1089 19.718,1090 3.68,1091 12.145,1092 14.975,1093 5.828,1094 23.373,1095 11.911,1096 2.601,1097 9.385,1098 21.482,1099 4.022,1100 13.104,1101 16.187,1102 6.212,1103 25.511,1104 12.871,1105 2.601,1106 8.03,1107 23.254,1108 4.022,1109 14.194,1110 17.629,1111 6.794,1112 27.757,1113 13.951,1114 2.497,1115 8.03,1116 25.033,1117 3.393,1118 15.21,1119 18.916,1120 7.231,1121 29.941,1122 14.964,1123 2.49,1124 7.114,1125 26.817,1126 3.393,1127 16.288,1128 20.33,1129 7.781,1130 32.174,1131 16.034,1132 2.373,1133 7.114,1134 28.607,1135 3.127,1136 17.335,1137 21.661,1138 8.247,1139 34.382,1140 17.076,1141 73813,1142 130603,1143 35.312,1144 67.211,1145 83.089,1146 84.238,1147 85.532,1148 82.581,1149 82.494,1150 104.507,1151 24.046,1152 221.348,1153 78.964,1154 5.35,1155 5.548,1156 5.941,1157 5.039,1158 4.994,1159 7.022,1160 2.912,1161 15.714,1162 4.953,1163 44.468,1164 1.458,1165 1.478,1166 1.501,1167 1.449,1168 1.447,1169 1.833,1170 0.422,1171 3.883,1172 1.385,1173 4.019,1174 4.057,1175 3.972,1176 3.934,1177 7.433,1178 3.938,1179 3.964,1180 3.996,1181 3.923,1182 3.894,1183 7.429,1184 3.896,1185 3.786,1186 3.86,1187 3.657,1188 3.598,1189 5.381,1190 3.6,1191 3.65,1192 3.722,1193 3.578,1194 3.426,1195 5.345,1196 3.437,1197 3.632,1198 3.717,1199 3.578,1200 3.405,1201 5.343,1202 3.431,1203 3.632,1204 3.717,1205 3.562,1206 3.405,1207 5.343,1208 3.431,1209 3.583,1210 3.67,1211 3.517,1212 3.299,1213 4.847,1214 3.341,1215 3.534,1216 3.627,1217 3.45,1218 3.265,1219 4.827,1220 3.299,1221 0.077,1222 0.062,1223 0.109,1224 0.07,1225 0.053,1226 4.376,1227 0.071,1228 3.548,1229 0.029,1230 6.231,1231 0.165,1232 3.98,1233 0.052,1234 2.994,1235 4.022,1236 1.656,1237 9.385,1238 2.953,1239 1.947,1240 1.922,1241 2.032,1242 2.047,1243 1.288,1244 2.043,1245 1.947,1246 1.922,1247 2.031,1248 2.046,1249 1.17,1250 2.041,1251 1.744,1252 1.671,1253 1.978,1254 1.964,1255 1.167,1256 1.973,1257 1.593,1258 1.522,1259 1.845,1260 1.841,1261 1.147,1262 1.837,1263 1.537,1264 1.47,1265 1.734,1266 1.812,1267 0.791,1268 1.778,1269 1.537,1270 1.47,1271 1.734,1272 1.812,1273 0.791,1274 1.778,1275 1.445,1276 1.37,1277 1.651,1278 1.765,1279 0.763,1280 1.725,1281 1.424,1282 1.344,1283 1.632,1284 1.738,1285 0.676,1286 1.705,1287 4.745,1289 6.028,1291 7.459,1293 8.966,1295 10.526,1297 8.8,1301 43.245,1303 3.565,1305 11.358,1309 2.097,1314 64.308,1315 173.449,1316 391.892,1317 476.448,1318 489.958,1319 489.958,1320 489.958,1321 248.1,1322 8.187,1323 392.54,1324 392.54,1325 12,1326 12.781,1327 4.524,1328 4.087,1329 197,1330 497,1331 358,1332 0.186,1333 416.365,1334 739.28,1335 1007.69,1336 57105,1338 41.786,1339 0.746,1340 0.574,1341 41.786,1342 32.167,1343 26.425,1344 0.464,1345 0.299,1346 16.73,1347 25.022,1348 16.171,1349 13.704,1350 26.425,1351 17.057,1352 24.336,1353 0.324,1354 0.163,1355 24.336,1356 12.211,1357 16.531,1358 0.202,1359 0.089,1360 16.531,1361 7.319,1362 12.128,1363 0.125,1364 0.047,1365 12.128,1366 4.561,1367 10.24,1368 0.084,1369 0.026,1370 10.24,1371 3.135,1372 0.314,1373 168.066,1374 0.168,1375 48.625,1376 0.46,1377 264,1378 848.106,1379 300.705,1380 840.844,1381 1120.24,1382 772,1383 289,1384 830.529,1385 320.354,1386 842.452,1387 1178.27,1388 781,1389 6.5}
{0 CHEMBL1993243,1 1.743,2 9.88,3 2.296,4 5.272,5 98.898,6 8.836,7 0.571,8 3.832,9 3.922,10 3.587,11 3.433,12 5.032,13 3.418,14 4.318,15 4.436,16 3.96,17 3.822,18 5.532,19 3.789,20 4.425,21 4.56,22 3.988,23 3.922,24 5.598,25 3.859,26 4.499,27 4.64,28 3.992,29 3.946,30 5.65,31 3.855,32 4.491,33 4.683,34 3.816,35 3.868,36 5.531,37 3.743,38 4.385,39 4.557,40 3.904,41 3.71,42 5.595,43 3.662,44 4.34,45 4.512,46 3.772,47 3.639,48 5.524,49 3.574,50 4.292,51 4.502,52 3.395,53 3.452,54 5.456,55 3.349,56 0.091,57 0.583,58 6.407,59 3.565,60 9.913,61 3.683,62 0.395,63 0.916,64 14.139,65 6.266,66 26.16,67 6.415,68 0.246,69 1.019,70 14.737,71 7.222,72 26.241,73 7.788,74 0.326,75 1.128,76 19.309,77 8.046,78 35.532,79 8.382,80 0.25,81 1.114,82 23.512,83 9.118,84 24.192,85 10.288,86 0.358,87 1.004,88 18.786,89 6.762,90 34.449,91 7.337,92 0.313,93 0.93,94 16.537,95 6.611,96 27.315,97 7.35,98 0.422,99 0.872,100 20.872,101 6.944,102 44.054,103 7.816,104 14,105 40,106 0.304,107 0.704,108 0.844,109 0.882,110 0.891,111 0.891,112 3.268,113 0.911,114 -3.33,115 -3.31,116 -3.17,119 45,124 1,126 1,135 2,142 3,143 4,144 2,145 1,147 1,151 1,152 1,158 1,163 1,164 1,165 1,172 7,174 1,175 5,177 1,178 2,180 2,183 10,185 1,188 7,193 2,196 8,198 1,200 7,205 4,208 7,210 3,213 4,218 3,221 5,223 3,224 1,225 5,228 1,230 4,233 4,235 2,237 1,238 3,240 1,241 1,243 1,246 3,249 1,250 3,252 2,253 2,254 1,255 1,257 1,258 1,264 4,269 2,276 909,277 17.162,278 17.162,279 17.162,280 17.162,281 17.162,282 15.047,283 14.121,284 9.933,285 17.602,286 13.741,287 13.741,288 13.741,289 13.741,290 13.741,291 10.316,292 13.532,293 4.617,294 14.381,295 3.579,296 1.288,297 0.488,298 0.269,299 0.219,300 0.219,301 3.965,304 1,305 1,306 1,307 541,308 3.162,311 99.773,312 116.698,315 180.324,319 1.725,320 23.603,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 54.5,332 247,333 4.728,334 3.449,335 6.974,336 4.258,337 3.292,338 4.707,339 1.392,340 11.832,341 3.183,342 4.291,343 3.349,344 6.239,345 3.882,346 2.929,347 3.942,348 1.058,349 9.381,350 2.787,351 3.918,352 3.245,353 5.996,354 3.538,355 2.557,356 3.372,357 0.532,358 8.476,359 2.499,360 3.697,361 2.601,362 5.498,363 3.328,364 2.326,365 2.999,367 6.818,368 2.313,369 3.528,370 2.279,371 4.987,372 3.111,373 2.154,374 2.86,376 5.851,377 2.063,378 3.233,379 1.993,380 4.712,381 2.717,382 1.795,383 2.526,385 4.929,386 1.637,387 2.886,388 1.917,389 4.393,390 2.477,391 1.534,392 2.025,394 4.226,395 1.438,396 2.621,397 1.669,398 4.186,399 2.186,400 1.215,401 1.642,403 3.308,404 1.172,405 2.51,406 1.141,407 3.672,408 1.971,409 1,410 1.408,412 2.377,413 0.964,414 2.237,415 1.095,416 3.435,417 1.859,418 0.95,419 1.154,421 2.316,422 0.849,423 2.14,424 1.002,425 3.166,426 1.581,427 0.695,428 0.963,430 1.519,431 0.604,432 1.629,433 0.805,434 3.036,435 1.323,436 0.394,437 0.471,439 0.979,440 0.362,441 1.481,442 0.692,443 2.703,444 1.212,445 0.252,446 0.289,448 0.382,449 0.239,450 1.311,451 0.144,452 2.626,453 0.828,454 -0.152,455 -0.214,457 -0.315,458 -0.147,459 0.785,460 -0.363,461 2.284,462 0.39,463 -0.569,464 -0.728,466 -1.591,467 -0.532,468 12.033,469 0.481,470 0.589,471 0.024,472 35,473 1.4,474 18.5,475 0.74,476 16.5,477 0.66,478 17.827,479 0.713,480 25.767,481 0.644,482 25.067,483 1.003,484 7.015,485 0.281,486 5.154,487 0.206,488 0.102,490 0.374,496 0.878,497 1.032,498 0.693,499 0.836,500 0.766,501 0.77,502 0.967,503 0.735,504 0.859,505 0.746,506 0.643,507 0.712,508 0.921,509 0.981,510 0.849,511 0.885,512 0.938,513 0.918,514 1.008,515 1.174,516 1.219,517 1.177,518 1.227,519 1.129,520 0.625,521 1.172,522 1.285,523 1.294,524 0.576,525 1.13,526 0.889,527 1.079,528 0.915,529 1.081,530 1.034,531 0.933,532 0.85,533 1.207,534 0.954,535 1.163,536 0.898,537 1.103,538 0.877,539 1.023,540 1.362,541 1.262,542 0.784,543 1.143,544 4.5,545 0.065,546 3.333,547 1.41,548 1.508,549 0.774,550 0.546,551 0.445,552 0.26,553 0.077,554 7014,555 22069,556 2.13,557 37.5,559 8,560 3,561 1,562 3,567 1.682,568 2,569 3.281,570 1.005,571 1,572 1,577 69.705,578 1.743,579 4.034,580 4.834,581 5.053,582 5.103,583 5.103,584 2.779,585 4.564,586 4.61,587 3.426,588 1027.92,589 7.987,590 12116.4,591 1,592 1,594 1,595 212.877,596 1.388,597 4.579,598 0.161,599 0.007,600 0.083,601 0.035,602 0.041,603 0.024,604 0.017,605 0.015,606 0.012,607 0.005,608 0.401,609 0.5,610 1,611 1.296,612 119.385,613 -0.11,614 0.029,615 0.042,616 0.061,617 -0.145,618 0.065,619 0.049,620 0.292,621 0.033,622 0.222,623 0.058,624 0.173,625 -0.121,626 0.008,627 0.012,628 0.075,629 -0.061,630 0.012,631 -0.17,632 -0.157,633 -0.164,634 -0.106,635 -0.227,636 -0.177,637 -0.002,638 -0.177,639 -0.102,640 -0.155,641 0.055,642 -0.074,643 0.053,644 -0.038,645 0.125,646 -0.078,647 0.001,648 0.018,649 0.09,650 -0.206,651 0.028,652 -0.189,653 0.013,654 -0.148,655 0.125,656 -0.034,657 -0.201,658 -0.202,659 0.178,660 -0.116,661 1.836,662 4.458,663 0.72,664 22.323,665 1.017,666 1.113,667 2.1,668 4.409,669 0.715,670 3.367,671 3.714,672 4.043,673 4.344,674 4.564,675 4.718,676 4.89,677 5.088,678 5.124,679 5.182,680 5.83,681 0.689,682 353.43,683 3.367,684 4.92,685 5.796,686 6.693,687 7.59,688 8.496,689 9.403,690 10.314,691 11.226,692 12.14,693 7.5,697 1,700 1,703 1,708 2,709 5,710 1,713 1,714 6,716 16,727 1,733 2,735 40,737 18,738 1,739 28,741 43,742 18,743 13,744 3,745 3,746 3,748 4,749 6,762 16,763 2,767 2,772 1,774 2,776 1,779 1,780 1,783 15,784 6,785 3,786 7,787 1,792 3,797 0.5,798 3,809 1,815 2,816 2,819 2,829 1,834 2,843 2,845 1,847 1,851 25,852 1,858 1,860 1,861 2,869 1,874 7.5,877 1,879 2,881 12.5,882 7.533,883 5.5,884 2.165,886 3.763,887 1.492,888 1.031,889 4.252,890 11.409,891 3.664,892 4.314,893 4.996,894 5.646,895 6.223,896 6.675,897 7.165,898 7.67,899 8,900 8.353,901 0.857,902 40,903 9.185,905 3.944,906 7.813,907 17.34,909 14.25,911 2.313,912 57.833,916 141.253,917 140.797,918 67.693,920 47.145,922 31.278,923 109.519,924 188.398,925 67.693,926 8.396,927 24.661,928 87.927,929 58.406,930 53.664,931 38.387,932 125.447,934 141.253,935 177.213,936 47.145,937 31.278,939 141.253,940 47.145,943 33.708,944 107.766,945 35.738,946 31.278,947 141.253,948 114.838,949 140.797,952 141.253,953 68.323,954 72.474,955 18.011,956 96.827,957 141.253,958 114.838,959 140.797,961 0.584,962 0.353,963 0.187,964 0.099,965 21,966 9,967 0.07,968 3,969 2,970 1.222,971 3.693,972 216.332,973 0.222,974 18,975 116.096,977 1,981 16.21,982 6.558,983 2.929,984 1.864,985 114.838,986 9.52,987 4.287,990 1.567,991 4.739,993 50.908,994 396.888,995 38,1000 11.458,1002 3.222,1004 -0.169,1007 40.665,1008 44.534,1009 0.327,1010 0.758,1011 0.908,1012 0.949,1013 0.959,1014 0.959,1015 4.905,1016 1.215,1017 5.79,1018 4.226,1019 4.394,1020 5.001,1021 2.038,1022 6.642,1023 4.309,1024 6.136,1025 1,1026 7.373,1027 3.308,1028 4.007,1029 4.902,1031 7.639,1032 3.915,1033 7.465,1034 0.95,1035 9.058,1036 2.377,1037 6.023,1038 7.3,1039 2.413,1040 10.773,1041 5.873,1042 8.836,1043 0.695,1044 10.805,1045 2.316,1046 6.494,1047 8.079,1049 12.634,1050 6.32,1051 10.242,1052 0.394,1053 12.592,1054 1.519,1055 7.96,1056 9.935,1057 2.911,1058 15.297,1059 7.746,1060 11.673,1061 0.252,1062 14.407,1063 0.979,1064 8.813,1065 11.119,1067 17.506,1068 8.563,1069 13.124,1070 -0.152,1071 16.244,1072 0.382,1073 10.079,1074 12.771,1075 3.474,1076 20.024,1077 9.795,1078 3.292,1079 -0.569,1080 18.096,1081 -0.315,1082 11.106,1083 14.146,1085 22.379,1086 10.783,1087 2.929,1088 11.832,1089 19.962,1090 -1.591,1091 12.302,1092 15.722,1093 4.077,1094 24.853,1095 11.946,1096 2.557,1097 9.381,1098 21.839,1099 4.707,1100 13.407,1101 17.186,1103 27.27,1104 13.013,1105 2.326,1106 8.476,1107 23.724,1108 3.942,1109 14.581,1110 18.735,1111 4.704,1112 29.733,1113 14.154,1114 2.154,1115 6.818,1116 25.616,1117 3.372,1118 15.724,1119 20.241,1121 32.177,1122 15.261,1123 1.795,1124 5.851,1125 27.515,1126 2.999,1127 16.894,1128 21.782,1129 5.345,1130 34.64,1131 16.398,1132 1.534,1133 4.929,1134 29.42,1135 2.86,1136 18.054,1137 23.308,1139 37.097,1140 17.524,1141 6708,1142 11999,1143 18.898,1144 28.597,1145 42.512,1146 43.939,1147 44.018,1148 42.097,1149 42.186,1150 56.715,1151 5.963,1152 124.783,1153 40.218,1154 5.55,1155 5.449,1156 6.535,1157 5.369,1158 5.292,1159 7.707,1160 2.783,1161 19.233,1162 5.183,1163 11.16,1164 1.518,1165 1.569,1166 1.572,1167 1.503,1168 1.507,1169 2.026,1170 0.213,1171 4.457,1172 1.436,1173 4.122,1174 4.13,1175 4.34,1176 4.127,1177 7.43,1178 4.087,1179 3.89,1180 3.899,1181 3.877,1182 3.797,1183 5.187,1184 3.801,1185 3.654,1186 3.695,1187 3.625,1188 3.501,1189 5.001,1190 3.506,1191 3.38,1192 3.42,1193 3.433,1194 3.197,1195 4.673,1196 3.205,1197 3.234,1198 3.321,1199 3.229,1200 3.02,1201 4.406,1202 3.009,1203 3.179,1204 3.221,1205 3.081,1206 2.989,1207 4.239,1208 2.99,1209 2.96,1210 3.041,1211 2.814,1212 2.776,1213 4.136,1214 2.757,1215 2.828,1216 2.879,1217 2.717,1218 2.683,1219 4.017,1220 2.679,1221 0.169,1222 0.123,1223 0.249,1224 0.152,1225 0.118,1226 4.728,1227 0.168,1228 3.449,1229 0.05,1230 6.974,1231 0.423,1232 4.258,1233 0.114,1234 3.292,1235 4.707,1236 1.392,1237 11.832,1238 3.183,1239 1.953,1240 1.938,1241 2.007,1242 2.03,1243 1.178,1244 2.024,1245 1.83,1246 1.816,1247 1.892,1248 1.914,1249 1.035,1250 1.917,1251 1.541,1252 1.502,1253 1.72,1254 1.779,1255 0.726,1256 1.762,1257 1.358,1258 1.345,1259 1.538,1260 1.523,1261 0.637,1262 1.528,1263 1.187,1264 1.124,1265 1.439,1266 1.498,1267 0.577,1268 1.484,1269 1.153,1270 1.105,1271 1.31,1272 1.323,1273 0.491,1274 1.371,1275 0.87,1276 0.823,1277 1.165,1278 1.208,1279 0.156,1280 1.207,1281 0.825,1282 0.762,1283 1.077,1284 0.988,1285 0.082,1286 1.02,1287 4.043,1289 5.38,1290 3.045,1291 6.913,1292 5.352,1293 8.541,1294 7.434,1295 10.224,1297 1.59,1301 6.139,1303 0.237,1305 2.556,1306 10.822,1314 27.557,1315 69.705,1316 161.351,1317 193.367,1318 202.122,1319 204.122,1320 204.122,1321 34.153,1322 7.645,1323 86.47,1324 114.71,1325 22,1326 12.653,1327 4.248,1328 3.459,1329 35.857,1330 85,1331 100,1332 0.208,1333 171.015,1334 291.94,1335 409.037,1336 21236,1338 17.389,1339 0.696,1340 0.569,1341 17.742,1342 14.223,1343 12.169,1344 0.435,1345 0.304,1346 7.571,1347 11.209,1348 7.308,1349 6.053,1350 12.623,1351 8.506,1352 10.912,1353 0.273,1354 0.159,1355 11.436,1356 6.348,1357 9.74,1358 0.174,1359 0.09,1360 10.46,1361 5.025,1362 8.104,1363 0.107,1364 0.05,1365 9.046,1366 3.81,1367 6.464,1368 0.068,1369 0.027,1370 7.275,1371 2.527,1372 0.319,1373 81.25,1374 0.23,1375 24.028,1376 0.588,1377 136,1378 431.357,1379 171.994,1380 432.119,1381 593.4,1382 406,1383 164,1384 422.664,1385 198.791,1386 443.014,1387 653.67,1388 415,1389 5.4}
{0 CHEMBL1993413,1 1.647,2 10.04,3 3.598,4 12.942,5 97.354,6 9.179,7 0.786,8 3.771,9 3.873,10 3.519,11 3.413,12 4.989,13 3.407,14 4.225,15 4.346,16 3.903,17 3.787,18 5.481,19 3.764,20 4.442,21 4.614,22 3.899,23 3.86,24 5.61,25 3.812,26 4.415,27 4.589,28 3.889,29 3.784,30 5.666,31 3.737,32 4.391,33 4.576,34 3.813,35 3.73,36 5.588,37 3.671,38 4.31,39 4.496,40 3.905,41 3.657,42 5.603,43 3.613,44 4.186,45 4.366,46 3.721,47 3.571,48 5.428,49 3.505,50 4.062,51 4.233,52 3.542,53 3.455,54 5.316,55 3.377,56 0.055,57 0.55,58 4.719,59 2.765,60 5.617,61 3.083,62 0.195,63 0.865,64 8.623,65 4.567,66 15.465,67 5.329,68 0.207,69 1.034,70 15.141,71 6.4,72 26.654,73 7.473,74 0.291,75 0.987,76 14.791,77 6.152,78 34.395,79 7.057,80 0.276,81 0.943,82 17.773,83 6.366,84 36.294,85 7.159,86 0.375,87 0.887,88 17.314,89 5.654,90 41.18,91 6.426,92 0.286,93 0.77,94 15.33,95 5.053,96 29.218,97 5.724,98 0.237,99 0.633,100 14.75,101 4.828,102 27.636,103 5.532,104 5,105 39,106 0.288,107 0.57,108 0.754,109 0.867,110 0.879,111 0.879,112 3.267,113 0.862,114 -4.82,115 -4.73,116 -4.44,119 50,142 9,143 4,145 1,147 2,151 1,158 1,161 1,172 12,175 6,178 3,180 4,183 13,188 5,193 5,196 8,199 1,200 6,205 8,208 6,213 7,218 2,221 6,225 6,228 1,229 1,230 2,233 8,237 1,238 4,241 1,243 1,246 11,250 1,253 1,255 1,258 10,263 1,264 2,269 2,272 8,276 844,277 17.154,278 17.154,279 17.154,280 17.154,281 17.154,282 14.469,283 9.121,284 10.245,285 17.519,286 13.87,287 13.87,288 13.87,289 13.87,290 13.87,291 9.855,292 12.599,293 4.908,294 14.493,295 3.6,296 1.983,297 0.929,298 0.283,299 0.211,300 0.211,301 3.967,303 1,304 1,305 1,306 1,307 555,308 2.739,311 50.501,312 223.891,315 96.079,319 1.485,320 21.552,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 53.333,332 251,333 4.601,334 3.573,335 6.714,336 4.149,337 3.168,338 4.535,339 1.058,340 10.928,341 3.111,342 4.211,343 3.193,344 6.059,345 3.833,346 2.847,347 3.835,349 8.757,350 2.818,351 4.074,352 2.943,353 5.837,354 3.608,355 2.654,356 3.652,358 8.156,359 2.519,360 3.562,361 2.398,362 5.351,363 3.13,364 2.183,365 2.949,367 6.752,368 2.065,369 3.36,370 2.235,371 4.815,372 2.877,373 1.988,374 2.648,376 5.446,377 1.764,378 3.14,379 2.139,380 4.504,381 2.653,382 1.673,383 2.372,385 4.253,386 1.553,387 3.046,388 1.547,389 4.169,390 2.513,391 1.547,392 2.319,394 3.855,395 1.49,396 2.917,397 1.465,398 4,399 2.387,400 1.436,401 2.113,403 3.438,404 1.341,405 2.552,406 1.323,407 3.564,408 2.038,409 1.045,410 1.546,412 2.568,413 1.03,414 2.517,415 1.039,416 3.443,417 2,418 1,419 1.5,421 2.437,422 1,423 2.5,424 1,425 3.247,426 1.985,427 1,428 1.478,430 2.136,431 0.979,432 1.973,433 0.517,434 3.094,435 1.431,436 0.488,437 0.72,439 1.177,440 0.459,441 1.188,442 0.449,443 2.742,444 0.788,445 -0.193,446 -0.25,448 -0.532,449 -0.185,450 0.947,451 0.206,452 2.55,453 0.431,454 -0.408,455 -0.516,457 -1.038,458 -0.26,459 0.758,460 -0.439,461 2.217,462 0.282,463 -0.661,464 -0.869,466 -1.607,467 -0.606,468 12.148,469 0.486,470 0.554,471 0.022,472 38.5,473 1.54,474 22,475 0.88,476 16.5,477 0.66,478 15.436,479 0.617,480 24.452,481 0.643,482 26.827,483 1.073,484 7.745,485 0.31,486 4.458,487 0.178,488 0.086,490 0.329,496 0.73,497 1.12,498 0.553,499 0.785,500 0.596,501 0.729,502 0.535,503 1.043,504 0.662,505 0.954,506 0.554,507 0.929,508 0.998,509 1.131,510 0.869,511 1.006,512 0.953,513 0.99,514 1.059,515 1.105,516 0.838,517 1.002,518 1.156,519 1.001,520 1.39,521 1.093,522 1.146,523 1.009,524 1.43,525 0.992,526 1.077,527 0.92,528 1.063,529 0.895,530 1.03,531 0.841,532 1.215,533 0.835,534 1.328,535 0.971,536 1.086,537 0.971,538 1.344,539 0.891,540 1.516,541 1.077,542 1.366,543 1.04,544 4.5,545 0.048,546 2.444,547 1.819,548 1.112,549 0.597,550 0.518,551 0.33,552 0.233,553 0.114,554 7395,555 22238,556 2.154,557 34.2,559 9,560 1,561 1,562 2,567 1.681,568 2.055,569 3.312,570 0.273,572 1,577 62.605,578 1.647,579 3.265,580 4.319,581 4.965,582 5.037,583 5.037,584 2.739,585 3.974,586 4.617,587 3.439,588 1031.65,589 7.99,590 12360.5,591 1,592 1,594 1,595 199.421,596 1.26,597 4.592,598 0.161,599 0.003,600 0.063,601 0.048,602 0.032,603 0.019,604 0.016,605 0.012,606 0.01,607 0.006,608 0.37,609 0.33,610 1,611 0.477,612 119.999,613 -0.088,614 -0.067,615 0.007,616 0.023,617 -0.094,618 0.04,619 0.202,621 -0.008,622 -0.115,623 0.07,624 -0.122,625 -0.115,626 -0.14,627 -0.043,628 -0.075,629 -0.066,630 -0.057,631 0.005,632 -0.113,633 0.025,634 -0.061,635 0.022,636 -0.068,637 -0.213,638 -0.124,639 -0.069,640 -0.018,641 -0.163,642 -0.018,643 0.144,644 0.099,645 0.154,646 0.093,647 0.101,648 0.119,649 -0.05,650 0.164,651 -0.063,652 0.025,653 -0.046,654 -0.013,655 -0.104,656 0.023,657 -0.157,658 -0.03,659 -0.069,660 -0.041,661 1.901,662 5.325,663 0.84,664 20.09,665 1.013,666 1.111,667 3.591,668 12.896,669 0.741,670 3.367,671 3.689,672 3.97,673 4.263,674 4.454,675 4.511,676 4.635,677 4.762,678 4.771,679 4.844,680 5.923,681 0.717,682 348.81,683 3.367,684 4.905,685 5.759,686 6.64,687 7.509,688 8.397,689 9.273,690 10.164,691 11.045,692 11.937,693 10.5,700 1,701 1,703 2,708 2,709 11,710 2,711 1,714 5,716 22,723 1,734 1,735 38,737 23,738 1,739 28,741 41,742 19,743 18,744 1,745 5,746 1,748 4,749 5,750 1,762 19,767 1,772 1,776 1,779 1,780 1,783 13,784 4,785 2,786 6,787 1,792 4,797 0.75,798 1,809 2,811 1,815 1,816 3,819 1,843 3,848 1,851 25,860 1,873 1,874 2.6,877 1,881 12.167,882 6.876,883 5.444,884 2.148,886 4.105,887 1.555,888 1.049,889 4.121,890 11.497,891 3.714,892 4.36,893 4.995,894 5.631,895 6.159,896 6.455,897 6.899,898 7.342,899 7.585,900 7.989,901 0.857,902 38,903 9.177,905 3.948,906 7.798,907 17.266,909 14.123,911 2.298,912 57.444,916 129.482,917 127.33,918 68.367,919 39.149,920 25.145,923 127.33,924 193.776,925 68.367,927 18.011,928 94.334,929 76.907,930 37.963,931 56.319,932 105.94,934 129.482,935 195.698,936 25.145,937 39.149,939 129.482,940 25.145,943 45.559,944 116.568,945 33.571,946 39.149,947 129.482,948 93.512,949 166.479,952 129.482,953 23.949,954 103.381,955 34.796,956 97.865,957 129.482,958 93.512,959 166.479,961 0.579,962 0.338,963 0.192,964 0.102,965 20,966 8,967 0.073,968 3,969 1,970 1.095,971 3.762,972 211.487,973 0.095,974 21,975 112.096,981 15.67,982 6.575,983 3.213,984 1.769,985 76.727,986 19.966,987 8.483,988 3.13,991 3.057,993 34.796,994 389.473,995 40,1000 12.325,1004 -0.234,1007 38.476,1008 42.223,1009 0.314,1010 0.622,1011 0.823,1012 0.946,1013 0.96,1014 0.96,1015 4.924,1016 1.436,1017 5.733,1018 3.855,1019 4.369,1020 5.047,1021 1.176,1022 6.538,1023 4.293,1024 6.145,1025 1.045,1026 7.281,1027 3.438,1028 3.892,1029 4.796,1031 7.402,1032 3.77,1033 7.453,1034 1,1035 8.931,1036 2.568,1037 5.948,1038 7.303,1039 1.255,1040 10.529,1041 5.821,1042 8.799,1043 1,1044 10.642,1045 2.437,1046 6.312,1047 7.917,1049 12.259,1050 6.168,1051 10.178,1052 0.488,1053 12.393,1054 2.136,1055 7.82,1056 9.858,1057 1.338,1058 14.886,1059 7.662,1060 11.582,1061 -0.193,1062 14.173,1063 1.177,1064 8.585,1065 10.907,1067 16.98,1068 8.419,1069 13.006,1070 -0.408,1071 15.974,1072 -0.532,1073 9.863,1074 12.596,1075 1.422,1076 19.437,1077 9.681,1078 3.168,1079 -0.661,1080 17.79,1081 -1.038,1082 10.82,1083 13.869,1085 21.69,1086 10.63,1087 2.847,1088 10.928,1089 19.62,1090 -1.607,1091 12.002,1092 15.445,1093 1.51,1094 24.092,1095 11.796,1096 2.654,1097 8.757,1098 21.459,1099 4.535,1100 13.05,1101 16.832,1103 26.416,1104 12.833,1105 2.183,1106 8.156,1107 23.306,1108 3.835,1109 14.196,1110 18.359,1111 1.599,1112 28.802,1113 13.964,1114 1.988,1115 6.752,1116 25.161,1117 3.652,1118 15.288,1119 19.803,1121 31.159,1122 15.042,1123 1.673,1124 5.446,1125 27.021,1126 2.949,1127 16.423,1128 21.313,1129 1.69,1130 33.543,1131 16.161,1132 1.547,1133 4.253,1134 28.886,1135 2.648,1136 17.536,1137 22.786,1139 35.915,1140 17.259,1141 6930,1142 12156,1143 19.186,1144 28.142,1145 42.62,1146 43.293,1147 42.739,1148 42.238,1149 42.055,1150 59.334,1151 2.117,1152 119.806,1153 40.258,1154 5.429,1155 5.573,1156 6.516,1157 5.196,1158 5.168,1159 7.535,1160 2.117,1161 18.111,1162 5.111,1163 8.661,1164 1.522,1165 1.546,1166 1.526,1167 1.508,1168 1.502,1169 2.119,1170 0.076,1171 4.279,1172 1.438,1173 4.13,1174 4.167,1175 4.118,1176 4.032,1177 7.429,1178 4.043,1179 3.926,1180 3.955,1181 3.928,1182 3.849,1183 5.101,1184 3.848,1185 3.798,1186 3.834,1187 3.839,1188 3.69,1189 4.986,1190 3.699,1191 3.381,1192 3.44,1193 3.405,1194 3.225,1195 4.726,1196 3.233,1197 3.294,1198 3.331,1199 3.296,1200 3.09,1201 4.403,1202 3.118,1203 2.889,1204 2.946,1205 3.117,1206 2.776,1207 4.305,1208 2.76,1209 2.854,1210 2.925,1211 2.79,1212 2.735,1213 3.945,1214 2.715,1215 2.851,1216 2.895,1217 2.687,1218 2.666,1219 3.744,1220 2.692,1221 0.164,1222 0.128,1223 0.24,1224 0.148,1225 0.113,1226 4.601,1227 0.162,1228 3.573,1229 0.038,1230 6.714,1231 0.39,1232 4.149,1233 0.111,1234 3.168,1235 4.535,1236 1.058,1237 10.928,1238 3.111,1239 1.936,1240 1.913,1241 2.023,1242 2.035,1243 1.131,1244 2.029,1245 1.894,1246 1.87,1247 1.986,1248 1.99,1249 1.073,1250 1.99,1251 1.773,1252 1.734,1253 1.857,1254 1.919,1255 0.904,1256 1.911,1257 1.4,1258 1.339,1259 1.54,1260 1.635,1261 0.542,1262 1.616,1263 1.19,1264 1.156,1265 1.326,1266 1.436,1267 0.332,1268 1.406,1269 0.997,1270 0.952,1271 1.181,1272 1.14,1273 0.265,1274 1.15,1275 0.886,1276 0.821,1277 1.153,1278 1.062,1279 0.218,1280 1.107,1281 0.834,1282 0.794,1283 1.042,1284 0.988,1285 0.135,1286 1.016,1287 4.043,1289 5.361,1290 2.398,1291 6.876,1292 4.727,1293 8.479,1294 6.843,1295 10.127,1298 6.159,1305 2.789,1314 27.262,1315 62.605,1316 124.083,1317 164.137,1318 188.666,1319 191.421,1320 191.421,1321 33.708,1322 7.393,1323 70.67,1324 70.67,1325 23,1326 12.467,1327 4.585,1328 3.7,1329 35.881,1330 90,1331 86,1332 0.198,1333 170.756,1334 283.18,1335 408.405,1336 16357,1337 2.6,1338 17.225,1339 0.689,1340 0.551,1341 17.725,1342 13.787,1343 12.204,1344 0.436,1345 0.287,1346 7.62,1347 11.583,1348 7.449,1349 6.168,1350 12.492,1351 8.048,1352 10.999,1353 0.282,1354 0.151,1355 11.407,1356 5.873,1357 9.231,1358 0.178,1359 0.077,1360 9.466,1361 4.027,1362 8.13,1363 0.116,1364 0.041,1365 8.449,1366 2.898,1367 6.322,1368 0.074,1369 0.022,1370 6.554,1371 1.851,1372 0.307,1373 78.699,1374 0.228,1375 24.167,1376 0.55,1377 134,1378 395.895,1379 160.044,1380 422.224,1381 574.21,1382 394,1383 158,1384 407.006,1385 177.412,1386 424.937,1387 621.85,1388 401,1389 5.5}
{0 CHEMBL1993424,1 1.737,2 10.963,3 3.093,4 9.566,5 105.045,6 8.625,7 0.733,8 3.914,9 4.017,10 3.758,11 3.522,12 5.051,13 3.493,14 4.406,15 4.539,16 4.02,17 3.891,18 5.838,19 3.854,20 4.622,21 4.798,22 3.979,23 3.965,24 5.801,25 3.897,26 4.661,27 4.884,28 3.885,29 3.873,30 5.785,31 3.799,32 4.537,33 4.755,34 3.825,35 3.795,36 5.716,37 3.733,38 4.483,39 4.691,40 3.772,41 3.777,42 5.6,43 3.714,44 4.412,45 4.625,46 3.772,47 3.731,48 5.665,49 3.652,50 4.308,51 4.505,52 3.61,53 3.632,54 5.441,55 3.544,56 0.113,57 0.718,58 9.667,59 3.916,60 19.832,61 4.182,62 0.39,63 1.12,64 15.16,65 6.494,66 63.525,67 7.42,68 0.272,69 1.306,70 20.756,71 8.301,72 40.199,73 9.665,74 0.43,75 1.33,76 24.049,77 8.093,78 53.323,79 9.973,80 0.408,81 1.185,82 21.559,83 7.307,84 46.141,85 9.053,86 0.357,87 1.133,88 18.652,89 6.235,90 47.054,91 7.727,92 0.403,93 1.046,94 17.177,95 6.605,96 48.413,97 8.628,98 0.204,99 0.949,100 15.711,101 5.92,102 22.797,103 7.208,104 11,105 43,106 0.294,107 0.59,108 0.735,109 0.847,110 0.87,111 0.87,112 3.34,113 0.979,114 -3.8,115 -3.76,116 -3.58,119 43.2,125 1,142 10,143 2,144 2,145 1,150 1,151 1,161 1,163 1,164 1,165 1,172 9,174 3,175 5,177 2,178 4,180 2,183 9,188 8,193 3,196 4,198 2,199 1,200 9,203 1,205 3,208 2,210 1,213 7,216 2,217 1,218 2,220 1,221 4,223 1,225 7,230 1,233 6,237 4,238 4,240 2,241 2,243 2,246 5,250 3,255 2,258 4,263 2,264 3,266 1,267 1,269 2,272 6,274 1,276 1096,277 18.074,278 18.074,279 18.074,280 18.074,281 18.074,282 15.168,283 20.779,284 10.639,285 18.503,286 14.872,287 14.872,288 14.872,289 14.872,290 14.872,291 10.509,292 33.334,293 5.124,294 15.61,295 3.723,296 1.977,297 1.119,298 0.455,299 0.318,300 0.318,301 4.037,304 1,305 1,306 1,307 643,308 3.391,311 61.449,312 241.886,315 108.487,319 1.819,320 27.559,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 58.5,332 296,333 4.805,334 4.662,335 7.116,336 4.236,337 3.32,338 4.665,339 0.522,340 11.69,341 3.009,342 4.557,343 3.181,344 6.556,345 4.049,346 3.105,347 4.507,348 0.4,349 10.405,350 2.934,351 3.961,352 2.807,353 5.583,354 3.561,355 2.609,356 3.485,358 7.706,359 2.509,360 3.889,361 2.644,362 5.436,363 3.476,364 2.488,365 3.441,367 7.199,368 2.44,369 3.595,370 2.208,371 5.073,372 3.089,373 2.147,374 3.045,376 6.178,377 2.012,378 3.307,379 1.933,380 4.969,381 2.831,382 1.871,383 2.648,385 5.58,386 1.79,387 2.996,388 1.597,389 4.474,390 2.5,391 1.52,392 2.184,394 4.352,395 1.485,396 2.888,397 1.505,398 4.123,399 2.424,400 1.437,401 2.056,403 3.448,404 1.417,405 2.688,406 1.239,407 3.587,408 2.159,409 1.211,410 1.775,412 2.975,413 1.145,414 2.612,415 1.172,416 3.492,417 2.106,418 1.112,419 1.655,421 2.542,422 1.103,423 2.5,424 1,425 3.27,426 2,427 1,428 1.5,430 2.136,431 1,432 2.176,433 0.788,434 3.247,435 1.681,436 0.734,437 1.04,439 1.752,440 0.694,441 1.38,442 0.252,443 2.951,444 1.03,445 0.085,446 0.107,448 0.229,449 0.081,450 1.134,451 0.132,452 2.748,453 0.782,454 -0.178,455 -0.227,457 -0.476,458 -0.17,459 1,460 0.003,461 2.711,462 0.342,463 -0.616,464 -0.83,466 -1.485,467 -0.584,468 13,469 0.481,470 0.771,471 0.029,472 41.25,473 1.528,474 23.5,475 0.87,476 17.75,477 0.657,478 17.253,479 0.639,480 27.8,481 0.632,482 30.153,483 1.117,484 8.06,485 0.299,486 4.927,487 0.182,488 0.082,489 0.064,490 0.262,496 0.641,497 1.281,498 0.794,499 1.134,500 0.773,501 0.84,502 0.561,503 0.97,504 0.922,505 0.998,506 0.437,507 0.942,508 1.048,509 1.316,510 1.033,511 1.146,512 0.921,513 1.138,514 1.105,515 1.019,516 0.934,517 0.911,518 0.987,519 0.976,520 0.9,521 0.993,522 0.903,523 0.868,524 0.746,525 0.879,526 1.174,527 0.962,528 0.905,529 0.815,530 1.015,531 0.932,532 0.46,533 0.834,534 0.703,535 0.781,536 0.395,537 0.889,538 0.908,539 1.14,540 1.039,541 1.129,542 0.721,543 1.151,544 6.5,545 0.118,546 2.667,547 1.792,548 1.239,549 0.705,550 0.604,551 0.314,552 0.259,553 0.24,554 9317,555 28221,556 2.11,557 38.6,559 12,560 1,561 1,562 3,567 1.7,568 1.988,569 3.44,570 0.981,571 1,572 1,577 76.408,578 1.737,579 3.482,580 4.341,581 5.005,582 5.141,583 5.141,584 2.921,585 4.255,586 4.727,587 3.615,588 1268.72,589 8.199,590 16446.6,592 1,594 1,595 240.215,596 1.481,597 4.685,598 0.217,599 0.006,600 0.062,601 0.045,602 0.035,603 0.02,604 0.019,605 0.01,606 0.01,607 0.011,608 0.435,609 0.33,610 1,611 0.704,612 134.517,613 0.038,614 -0.13,615 0.199,616 -0.064,617 -0.218,618 0.045,619 0.345,620 0.126,621 -0.056,622 -0.05,623 0.386,624 -0.069,625 -0.144,626 -0.317,627 -0.144,628 -0.204,629 -0.066,630 -0.199,631 -0.112,632 -0.031,633 -0.023,634 -0.015,635 -0.096,636 -0.019,637 0.035,638 0.012,639 0.015,640 0.041,641 0.051,642 0.078,643 -0.235,644 0.052,645 -0.072,646 0.048,647 -0.199,648 -0.004,649 0.344,650 0.155,651 0.149,652 0.112,653 0.269,654 0.081,655 -0.109,656 -0.137,657 -0.124,658 -0.181,659 -0.035,660 -0.189,661 4.686,662 4.511,663 0.778,664 25.221,665 1.012,666 1.121,667 2.573,668 6.622,669 0.708,670 3.434,671 3.784,672 4.007,673 4.263,674 4.489,675 4.522,676 4.718,677 4.82,678 4.913,679 5.05,680 6.625,681 0.679,682 379.48,683 3.434,684 4.99,685 5.832,686 6.718,687 7.578,688 8.465,689 9.334,690 10.221,691 11.096,692 11.983,693 11.4,697 1,701 2,703 2,708 2,709 12,710 2,714 4,715 1,716 22,728 1,735 44,737 24,738 2,739 30,741 47,742 19,743 18,744 3,745 9,748 4,749 5,762 18,763 1,767 2,770 1,772 2,779 1,780 1,783 17,784 6,785 3,786 8,787 1,792 5,797 0.75,798 2,810 1,811 1,815 1,816 3,819 1,843 3,845 1,851 27,852 1,855 1,858 1,860 1,874 4.5,877 2,881 13.583,882 7.683,883 5.722,884 2.343,886 4.258,887 1.555,888 1.048,889 4.561,890 11.934,891 3.784,892 4.469,893 5.015,894 5.617,895 6.16,896 6.408,897 6.905,898 7.313,899 7.64,900 8.104,901 1,902 40,903 10.152,905 4.598,906 7.904,907 18.744,909 15.59,911 2.404,912 64.917,915 1,916 164.795,917 134.451,918 84.772,920 44.313,922 5.807,923 128.643,924 209.108,925 84.772,927 2.106,928 140.909,929 91.37,930 39.023,931 13.67,932 141.253,934 164.795,935 213.416,936 44.313,937 5.807,939 164.795,940 44.313,943 34.677,944 145.167,945 39.378,947 164.795,948 129.085,949 134.451,951 5.807,952 164.795,953 15.786,954 114.756,955 18.011,956 109.175,957 164.795,958 129.085,959 134.451,961 0.59,962 0.327,963 0.171,964 0.095,965 22,966 9,967 0.106,968 5,969 1,970 1.095,971 3.935,972 231.595,973 0.095,974 21,975 122.382,980 1,981 17.527,982 7.026,983 3.945,984 1.716,985 127.186,986 21.999,987 8.877,991 2.12,992 2.04,993 49.302,994 428.332,995 43,998 -3.77,1000 23.023,1007 44.542,1008 49.322,1009 0.318,1010 0.638,1011 0.795,1012 0.917,1013 0.942,1014 0.942,1015 5.014,1016 1.437,1017 5.849,1018 4.352,1019 4.466,1020 5.156,1021 0.623,1022 6.681,1023 4.367,1024 6.271,1025 1.211,1026 7.425,1027 3.448,1028 4.205,1029 5.198,1031 7.803,1032 4.004,1033 7.623,1034 1.112,1035 9.112,1036 2.975,1037 6.129,1038 7.514,1039 0.182,1040 10.808,1041 5.898,1042 9.018,1043 1,1044 10.869,1045 2.542,1046 6.673,1047 8.376,1049 12.752,1050 6.318,1051 10.446,1052 0.734,1053 12.672,1054 2.136,1055 8.117,1056 10.203,1057 0.047,1058 15.347,1059 7.727,1060 11.9,1061 0.085,1062 14.508,1063 1.752,1064 9.014,1065 11.429,1067 17.598,1068 8.498,1069 13.375,1070 -0.178,1071 16.368,1072 0.229,1073 10.28,1074 13.071,1075 0.012,1076 20.076,1077 9.713,1078 3.32,1079 -0.616,1080 18.246,1081 -0.476,1082 11.334,1083 14.462,1085 22.442,1086 10.648,1087 3.105,1088 11.69,1089 20.139,1090 -1.485,1091 12.536,1092 16.031,1093 0.003,1094 24.888,1095 11.782,1096 2.609,1097 10.405,1098 22.043,1099 4.665,1100 13.658,1101 17.496,1103 27.298,1104 12.795,1105 2.488,1106 7.706,1107 23.957,1108 4.507,1109 14.84,1110 19.037,1111 0.001,1112 29.737,1113 13.897,1114 2.147,1115 7.199,1116 25.877,1117 3.485,1118 15.994,1119 20.536,1121 32.166,1122 14.948,1123 1.871,1124 6.178,1125 27.803,1126 3.441,1127 17.172,1128 22.068,1130 34.606,1131 16.038,1132 1.52,1133 5.58,1134 29.734,1135 3.045,1136 18.341,1137 23.582,1139 37.043,1140 17.107,1141 8830,1142 15566,1143 20.167,1144 31.154,1145 45.547,1146 45.788,1147 45.22,1148 45.324,1149 45.281,1150 64.215,1151 1.843,1152 132.387,1153 43.235,1154 5.581,1155 6.662,1156 6.918,1157 5.311,1158 5.32,1159 7.665,1160 1.043,1161 18.669,1162 5.009,1163 11.817,1164 1.518,1165 1.526,1166 1.507,1167 1.511,1168 1.509,1169 2.141,1170 0.061,1171 4.413,1172 1.441,1173 4.132,1174 4.173,1175 4.728,1176 4.058,1177 7.726,1178 4.017,1179 4.043,1180 4.028,1181 4.086,1182 3.971,1183 6.999,1184 3.942,1185 3.871,1186 3.904,1187 3.804,1188 3.807,1189 5.1,1190 3.802,1191 3.648,1192 3.648,1193 3.717,1194 3.551,1195 4.83,1196 3.479,1197 3.375,1198 3.443,1199 3.317,1200 3.163,1201 4.75,1202 3.187,1203 3.114,1204 3.182,1205 2.995,1206 2.969,1207 4.684,1208 2.967,1209 2.892,1210 2.966,1211 2.763,1212 2.743,1213 4.412,1214 2.739,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.999,1220 2.715,1221 0.16,1222 0.155,1223 0.237,1224 0.141,1225 0.111,1226 4.805,1227 0.156,1228 4.662,1229 0.017,1230 7.116,1231 0.39,1232 4.236,1233 0.1,1234 3.32,1235 4.665,1236 0.522,1237 11.69,1238 3.009,1239 1.961,1240 1.963,1241 2.048,1242 2.069,1243 1.184,1244 2.075,1245 1.923,1246 1.892,1247 1.989,1248 2.016,1249 1.152,1250 2.034,1251 1.789,1252 1.756,1253 1.844,1254 1.925,1255 0.932,1256 1.919,1257 1.517,1258 1.483,1259 1.679,1260 1.707,1261 0.792,1262 1.705,1263 1.453,1264 1.453,1265 1.333,1266 1.64,1267 0.527,1268 1.677,1269 1.109,1270 1.045,1271 1.273,1272 1.326,1273 0.386,1274 1.329,1275 0.937,1276 0.875,1277 1.181,1278 1.13,1279 0.25,1280 1.156,1281 0.886,1282 0.821,1283 1.18,1284 1.062,1285 0.218,1286 1.107,1287 4.111,1289 5.451,1290 2.398,1291 6.974,1292 4.727,1293 8.576,1294 6.823,1295 10.219,1301 5.183,1303 0.696,1305 3.034,1314 29.885,1315 76.408,1316 153.221,1317 190.996,1318 220.215,1319 226.215,1320 226.215,1321 41.662,1322 7.676,1323 102.9,1324 111.28,1325 23,1326 12.516,1327 4.644,1328 3.807,1329 40.268,1330 108,1331 101,1332 0.183,1333 187.272,1334 308.91,1335 448.704,1336 23831,1338 18.855,1339 0.698,1340 0.559,1341 19.105,1342 15.096,1343 12.987,1344 0.433,1345 0.326,1346 8.272,1347 11.801,1348 7.976,1349 6.628,1350 13.882,1351 9.793,1352 12.511,1353 0.291,1354 0.178,1355 13.899,1356 7.661,1357 9.705,1358 0.18,1359 0.093,1360 10.449,1361 5.027,1362 8.058,1363 0.115,1364 0.048,1365 8.585,1366 3.378,1367 6.683,1368 0.076,1369 0.026,1370 7.169,1371 2.261,1372 0.288,1373 89.963,1374 0.223,1375 26.023,1376 0.496,1377 146,1378 436.912,1379 193.006,1380 452.617,1381 617.66,1382 416,1383 170,1384 437.032,1385 223.269,1386 481.295,1387 694.96,1388 449,1389 6.4}
{0 CHEMBL1993548,1 1.632,2 9.25,3 1.921,4 3.689,5 81.896,6 8.05,7 0.571,8 3.666,9 3.785,10 3.289,11 3.222,12 4.823,13 3.194,14 4.138,15 4.304,16 3.608,17 3.542,18 5.257,19 3.494,20 4.351,21 4.554,22 3.631,23 3.641,24 5.45,25 3.544,26 4.343,27 4.59,28 3.398,29 3.525,30 5.272,31 3.391,32 4.101,33 4.313,34 3.422,35 3.42,36 5.146,37 3.33,38 4.106,39 4.298,40 3.474,41 3.472,42 5.208,43 3.369,44 4.204,45 4.444,46 3.434,47 3.425,48 5.244,49 3.3,50 3.955,51 4.155,52 3.272,53 3.168,54 5.135,55 3.053,56 0.03,57 0.506,58 6.708,59 3.083,60 9.132,61 4,62 0.153,63 0.745,64 13.17,65 4.912,66 20.488,67 6.443,68 0.283,69 0.847,70 17.907,71 6.381,72 33.66,73 8.429,74 0.267,75 0.76,76 22.631,77 6.99,78 31.087,79 9.227,80 0.213,81 0.677,82 15.44,83 5.102,84 22.204,85 6.855,86 0.117,87 0.707,88 13.417,89 5.075,90 19.931,91 6.796,92 0.205,93 0.688,94 20.95,95 5.683,96 28.335,97 7.644,98 0.263,99 0.518,100 16.407,101 4.217,102 30.457,103 5.454,104 13,105 27,106 0.299,107 0.657,108 0.813,109 0.852,110 0.862,111 0.862,112 3.056,113 0.95,114 -2.67,115 -2.69,116 -2.61,119 41.7,120 1,125 1,127 1,135 2,142 3,143 2,144 1,145 3,147 1,163 1,164 1,165 1,172 6,175 5,180 1,183 7,185 1,187 1,188 5,190 1,191 1,196 6,200 3,208 4,213 4,218 1,221 4,223 1,225 5,227 1,228 1,230 1,233 3,235 1,238 3,243 1,246 1,248 1,249 1,250 1,255 2,258 2,260 2,263 1,269 1,272 1,274 1,276 554,277 13.345,278 13.345,279 13.345,280 13.345,281 13.345,282 11.712,283 8.387,284 8.206,285 13.747,286 10.377,287 10.377,288 10.377,289 10.377,290 10.377,291 7.98,292 7.661,293 3.955,294 11.076,295 3.538,296 1.584,297 0.73,298 0.521,299 0.465,300 0.465,301 3.718,303 1,304 1,305 1,306 1,307 379,308 3,312 140.194,319 1.575,320 15.419,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 42.833,332 185,333 4.27,334 3.174,335 6.08,336 3.817,337 2.881,338 3.931,339 0.86,340 8.825,341 2.695,342 3.926,343 2.793,344 5.339,345 3.497,346 2.509,347 3.493,349 6.966,350 2.472,351 3.562,352 2.515,353 5.236,354 3.248,355 2.327,356 2.866,358 6.556,359 2.141,360 3.154,361 2.267,362 4.604,363 2.997,364 2.05,365 2.287,367 5.023,368 1.924,369 3.082,370 1.798,371 4.238,372 2.52,373 1.61,374 2.163,376 3.985,377 1.437,378 2.841,379 1.458,380 3.629,381 2.335,382 1.414,383 1.981,385 3.107,386 1.264,387 2.5,388 1.181,389 3.247,390 1.984,391 1,392 1.5,394 2.136,395 0.983,396 2.319,397 1,398 3.14,399 1.619,400 0.685,401 1.032,403 1.541,404 0.621,405 1.771,406 0.714,407 3.03,408 1.496,409 0.608,410 0.699,412 1.392,413 0.533,414 1.208,415 0.436,416 2.451,417 0.804,418 -0.037,419 -0.044,421 -0.083,422 -0.027,423 0.822,424 -0.391,425 2.266,426 0.432,427 -0.519,428 -0.639,430 -1.265,431 -0.489,432 0.635,433 -0.534,434 1.942,435 0.113,436 -0.864,437 -1,439 -2,440 -0.733,441 0.5,442 -0.804,443 1.604,444 -0.048,445 -1,446 -1.095,448 -2.231,449 -0.853,450 0.146,451 -0.873,452 1.555,453 -0.049,454 -1,455 -1.34,457 -2.347,458 -0.946,460 -1,461 1.252,462 -0.146,463 -1,464 -1.5,466 -2.652,467 -0.948,468 9.748,469 0.487,470 0.438,471 0.022,472 26.5,473 1.325,474 14,475 0.7,476 12.5,477 0.625,478 13.715,479 0.686,480 21.452,481 0.596,482 16.954,483 0.848,484 5.368,485 0.268,486 4.28,487 0.214,488 0.166,490 0.256,496 0.853,497 1.255,498 0.639,499 0.969,500 0.999,501 0.906,502 1.059,503 1.114,504 0.729,505 0.948,506 0.856,507 0.918,508 1.09,509 0.949,510 0.861,511 0.921,512 1.03,513 0.992,514 1.264,515 0.812,516 1.072,517 0.884,518 1.004,519 0.877,520 0.794,521 0.977,522 0.851,523 0.951,524 0.76,525 0.916,526 0.848,527 1.21,528 0.909,529 1.079,530 0.976,531 1.115,532 1.223,533 0.985,534 1.389,535 1.019,536 1.167,537 0.956,538 1.428,539 1.038,540 1.601,541 1.304,542 1.268,543 1.228,544 4,545 0.054,546 1.778,547 0.625,548 0.884,549 0.493,550 0.327,551 0.283,552 0.074,553 0.066,554 3809,555 11458,556 1.995,557 44.4,559 8,561 3,562 2,564 3,567 1.616,568 1.875,569 3.218,570 0.361,571 1,572 1,574 1,577 58.759,578 1.632,579 3.586,580 4.44,581 4.649,582 4.705,583 4.705,584 2.733,585 3.722,586 4.291,587 3.365,588 639.365,589 7.323,590 6788.07,591 1,592 1,594 1,595 186.117,596 1.353,597 4.255,598 0.19,599 0.008,600 0.066,601 0.025,602 0.044,603 0.023,604 0.016,605 0.015,606 0.005,607 0.008,608 0.401,609 0.5,610 1,611 1.275,612 90.153,613 -0.071,614 -0.083,615 0.01,616 -0.023,617 -0.184,618 0.008,619 -0.042,620 -0.035,621 0.035,622 -0.006,623 0.024,624 0.005,625 0.018,626 0.051,627 -0.003,628 0.032,629 -0.015,630 -0.048,631 -0.13,632 0.051,633 0.01,634 0.133,635 -0.076,636 0.135,637 0.103,638 0.016,639 0.07,640 0.027,641 0.099,642 0.059,643 -0.031,644 -0.162,645 -0.023,646 -0.114,647 -0.065,648 -0.161,649 -0.143,650 -0.041,651 -0.064,652 -0.003,653 -0.064,654 0.033,655 -0.005,656 -0.075,657 -0.196,658 -0.29,659 0.047,660 -0.28,661 1.36,662 2.025,663 0.6,664 16.7,665 1.004,666 1.127,667 1.44,668 2.073,669 0.685,670 3.091,671 3.332,672 3.466,673 3.611,674 3.829,675 3.714,676 3.738,677 3.784,678 3.738,679 3.638,680 5.63,681 0.647,682 289.79,683 3.091,684 4.575,685 5.361,686 6.184,687 6.993,688 7.82,689 8.639,690 9.468,691 10.293,692 11.124,693 8.3,694 1,703 2,709 6,710 2,714 4,716 12,733 1,734 1,735 36,737 13,739 21,741 37,742 15,743 10,746 2,748 2,749 2,750 1,754 1,760 1,762 12,763 3,767 1,774 2,779 1,780 1,783 16,784 4,785 2,786 5,787 1,792 3,797 1,798 1,809 2,816 2,834 2,836 1,843 2,847 1,848 1,851 20,852 1,858 1,861 1,863 1,873 1,874 2.8,879 1,881 10.667,882 6.543,883 4.528,884 2.001,886 2.785,887 1.45,888 0.945,889 5.244,890 8.977,891 3.367,892 3.892,893 4.394,894 4.894,895 5.435,896 5.486,897 5.807,898 6.135,899 6.502,900 6.767,901 1,902 25,903 7.308,905 2.917,906 7.756,907 13.827,909 10.591,911 2.256,912 45.111,916 164.795,917 102.627,918 66.468,919 39.149,920 11,923 102.627,924 214.944,925 66.468,926 8.825,927 37.49,928 47.381,929 68.884,930 49.757,931 42.22,932 129.482,934 164.795,935 169.096,936 11,937 39.149,939 129.482,940 46.313,943 73.457,944 43.115,945 52.524,946 39.149,947 164.795,948 77.468,949 141.776,952 164.795,953 19.279,954 83.349,956 116.617,957 164.795,958 77.468,959 141.776,961 0.564,962 0.299,963 0.147,964 0.088,965 11,966 5,967 0.135,968 5,970 1,971 3.318,972 134.833,974 12,975 82.439,981 14.664,982 7.152,983 4.712,985 77.468,986 10.732,987 8.074,991 2.924,993 32.897,994 384.04,995 28,1002 3.837,1007 36.142,1008 40.555,1009 0.316,1010 0.694,1011 0.859,1012 0.899,1013 0.91,1014 0.91,1015 4.543,1016 0.685,1017 5.303,1018 2.136,1019 4.007,1020 4.575,1021 0.908,1022 5.984,1023 3.884,1024 5.715,1025 0.608,1026 6.783,1027 1.541,1028 3.434,1029 4.111,1031 6.629,1032 3.233,1033 6.973,1034 -0.037,1035 8.358,1036 1.392,1037 5.476,1038 6.67,1039 0.739,1040 9.633,1041 5.256,1042 8.265,1043 -0.519,1044 9.989,1045 -0.083,1046 5.673,1047 7.002,1049 11.092,1050 5.364,1051 9.587,1052 -0.864,1053 11.655,1054 -1.265,1055 7.191,1056 9.028,1057 0.593,1058 13.593,1059 6.87,1060 10.93,1061 -1,1062 13.347,1063 -2,1064 7.769,1065 9.775,1067 15.416,1068 7.357,1069 12.29,1070 -1,1071 15.057,1072 -2.231,1073 9.043,1074 11.525,1075 0.469,1076 17.724,1077 8.611,1078 2.881,1079 -1,1080 16.782,1081 -2.347,1082 9.83,1083 12.513,1085 19.722,1086 9.309,1087 2.509,1088 8.825,1089 18.518,1090 -2.652,1091 10.982,1092 14.102,1093 0.366,1094 21.95,1095 10.431,1096 2.327,1097 6.966,1098 20.264,1099 3.931,1100 11.886,1101 15.236,1103 24.037,1104 11.249,1105 2.05,1106 6.556,1107 22.017,1108 3.493,1109 12.979,1110 16.73,1111 0.283,1112 26.232,1113 12.299,1114 1.61,1115 5.023,1116 23.777,1117 2.866,1118 13.948,1119 17.952,1121 28.363,1122 13.186,1123 1.414,1124 3.985,1125 25.543,1126 2.287,1127 15.014,1128 19.39,1129 0.217,1130 30.546,1131 14.2,1132 1,1133 3.107,1134 27.314,1135 2.163,1136 16.019,1137 20.667,1139 32.698,1140 15.127,1141 3872,1142 6826,1143 13.811,1144 24.659,1145 30.851,1146 31.167,1147 30.801,1148 30.312,1149 30.168,1150 39.902,1151 1.72,1152 79.063,1153 28.136,1154 5.092,1155 5.174,1156 5.882,1157 4.864,1158 4.881,1159 6.931,1160 1.72,1161 15.024,1162 4.643,1163 9.682,1164 1.469,1165 1.484,1166 1.467,1167 1.443,1168 1.437,1169 1.9,1170 0.082,1171 3.765,1172 1.34,1173 3.958,1174 3.987,1175 4.02,1176 3.875,1177 5.084,1178 3.878,1179 3.821,1180 3.856,1181 3.799,1182 3.71,1183 5.001,1184 3.718,1185 3.634,1186 3.707,1187 3.53,1188 3.452,1189 4.904,1190 3.449,1191 3.272,1192 3.325,1193 3.303,1194 3.137,1195 4.558,1196 3.139,1197 2.977,1198 3.038,1199 3.173,1200 2.764,1201 4.271,1202 2.765,1203 2.854,1204 2.925,1205 2.687,1206 2.735,1207 4.065,1208 2.715,1209 2.75,1210 2.892,1211 2.63,1212 2.539,1213 3.741,1214 2.526,1215 2.698,1216 2.774,1217 2.592,1218 2.504,1219 3.674,1220 2.491,1221 0.203,1222 0.151,1223 0.29,1224 0.182,1225 0.137,1226 4.27,1227 0.187,1228 3.174,1229 0.041,1230 6.08,1231 0.42,1232 3.817,1233 0.128,1234 2.881,1235 3.931,1236 0.86,1237 8.825,1238 2.695,1239 1.91,1240 1.885,1241 2.003,1242 2.014,1243 1.102,1244 2.013,1245 1.778,1246 1.748,1247 1.905,1248 1.926,1249 1.059,1250 1.921,1251 1.609,1252 1.54,1253 1.826,1254 1.818,1255 0.902,1256 1.831,1257 1.252,1258 1.203,1259 1.448,1260 1.425,1261 0.485,1262 1.436,1263 0.915,1264 0.84,1265 1.318,1266 1.224,1267 0.415,1268 1.259,1269 0.886,1270 0.821,1271 1.181,1272 1.12,1273 0.218,1274 1.127,1275 0.704,1276 0.638,1277 1.098,1278 1.062,1280 1.107,1281 0.656,1282 0.575,1283 0.944,1284 0.894,1286 0.913,1287 3.761,1289 5.017,1291 6.457,1293 7.979,1295 9.545,1297 1.883,1298 6.07,1301 5.652,1303 0.441,1306 5.525,1308 -0.026,1314 23.294,1315 58.759,1316 129.098,1317 159.853,1318 167.362,1319 169.362,1320 169.362,1321 29.179,1322 6.192,1323 61.03,1324 61.03,1325 12,1326 11.698,1327 3.807,1328 3,1329 36.48,1330 65,1331 62,1332 0.268,1333 152.089,1334 260.06,1335 362.857,1336 3471,1337 2.8,1338 14.372,1339 0.719,1340 0.596,1341 14.872,1342 11.917,1343 9.648,1344 0.459,1345 0.317,1346 6.221,1347 9.055,1348 6.003,1349 5.045,1350 9.937,1351 6.648,1352 8.469,1353 0.314,1354 0.178,1355 8.84,1356 4.811,1357 6.294,1358 0.203,1359 0.091,1360 6.674,1361 2.831,1362 4.672,1363 0.13,1364 0.047,1365 4.907,1366 1.695,1367 3.954,1368 0.088,1369 0.026,1370 4.216,1371 1.159,1372 0.422,1373 63.214,1374 0.269,1375 20.292,1376 0.727,1377 96,1378 292.541,1379 119.848,1380 315.306,1381 416.82,1382 294,1383 106,1384 277.529,1385 125.305,1386 293.489,1387 420.35,1388 274,1389 5.1}
{0 CHEMBL1993584,1 1.471,2 13.214,3 3.186,4 10.151,5 110.078,6 7.581,7 0.71,8 3.992,9 4.1,10 3.578,11 3.577,12 5.135,13 3.558,14 4.475,15 4.617,16 3.882,17 3.943,18 5.561,19 3.903,20 4.719,21 4.907,22 3.865,23 4.031,24 5.772,25 3.945,26 4.724,27 4.955,28 3.716,29 3.952,30 5.654,31 3.84,32 4.661,33 4.89,34 3.695,35 3.86,36 5.669,37 3.766,38 4.628,39 4.841,40 3.678,41 3.817,42 5.7,43 3.732,44 4.584,45 4.823,46 3.619,47 3.747,48 5.602,49 3.663,50 4.432,51 4.649,52 3.506,53 3.64,54 5.466,55 3.563,56 0.033,57 0.674,58 9.462,59 4.376,60 11.862,61 5.466,62 0.116,63 1.067,64 16.692,65 7.07,66 20.374,67 8.897,68 0.366,69 1.282,70 23.742,71 9.519,72 43.062,73 12.325,74 0.191,75 1.288,76 24.976,77 9.791,78 30.447,79 13.222,80 0.243,81 1.194,82 23.728,83 8.995,84 37.018,85 12.034,86 0.327,87 1.143,88 22.867,89 8.466,90 45.079,91 11.018,92 0.209,93 1.1,94 22.512,95 8.206,96 38.252,97 10.981,98 0.247,99 0.961,100 18.883,101 6.832,102 34.965,103 8.83,104 2,105 41,106 0.245,107 0.601,108 0.787,109 0.881,110 0.895,111 0.895,112 3.374,113 0.887,114 -2.91,115 -2.92,116 -2.82,119 46.9,121 1,125 1,127 1,135 2,142 7,143 4,144 1,145 4,151 1,152 1,172 12,175 4,180 4,183 12,187 1,188 5,191 1,193 4,196 9,200 4,205 2,208 6,213 4,217 1,218 2,221 4,225 6,228 2,230 3,233 2,238 6,243 2,246 3,249 1,250 2,255 2,258 4,263 1,264 1,267 1,269 2,272 6,276 1294,277 19.43,278 19.43,279 19.43,280 19.43,281 19.43,282 16.693,283 8.307,284 11.876,285 19.778,286 15.364,287 15.364,288 15.364,289 15.364,290 15.364,291 11.338,292 7.558,293 5.712,294 15.923,295 4.144,296 2.012,297 0.891,298 0.327,299 0.245,300 0.245,301 4.077,305 1,306 1,307 815,308 3.317,311 67.608,312 281.862,315 126.087,319 2.143,320 19.339,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 59.5,332 370,333 4.527,334 3.171,335 6.533,336 4.058,337 3.072,338 4.474,339 0.86,340 10.301,341 3.029,342 4.113,343 2.953,344 5.611,345 3.686,346 2.717,347 3.726,349 7.776,350 2.642,351 3.916,352 2.617,353 5.343,354 3.492,355 2.509,356 3.481,358 6.97,359 2.462,360 3.537,361 2.517,362 5.286,363 3.322,364 2.364,365 2.812,367 6.654,368 2.254,369 3.413,370 2.24,371 4.985,372 3.013,373 2.055,374 2.706,376 5.909,377 1.957,378 3.119,379 1.995,380 4.774,381 2.794,382 1.821,383 2.319,385 5.158,386 1.763,387 3.045,388 1.546,389 4.147,390 2.518,391 1.546,392 2.217,394 3.711,395 1.501,396 2.962,397 1.511,398 3.642,399 2.433,400 1.495,401 2.131,403 3.152,404 1.399,405 2.696,406 1.323,407 3.583,408 2.162,409 1.232,410 1.779,412 2.759,413 1.15,414 2.616,415 1.202,416 3.502,417 2.127,418 1.152,419 1.667,421 2.665,422 1.113,423 2.5,424 1.024,425 3.247,426 1.984,427 1,428 1.5,430 2.136,431 0.983,432 2.306,433 1,434 3.217,435 1.631,436 0.691,437 0.986,439 1.62,440 0.645,441 2.086,442 0.699,443 3.09,444 1.587,445 0.604,446 0.92,448 1.41,449 0.593,450 1.687,451 0.602,452 3,453 1.393,454 0.495,455 0.585,457 1.14,458 0.441,459 0.958,460 -0.063,461 2.521,462 0.644,463 -0.311,464 -0.371,466 -0.805,467 -0.295,468 13.367,469 0.477,470 0.482,471 0.017,472 39.75,473 1.42,474 22,475 0.786,476 17.75,477 0.634,478 19.1,479 0.682,480 28.633,481 0.584,482 27.634,483 0.987,484 8.113,485 0.29,486 5.663,487 0.202,488 0.025,490 0.262,496 0.938,497 1.137,498 0.786,499 0.966,500 0.958,501 0.874,502 1.181,503 1.097,504 0.998,505 1.029,506 1.015,507 0.993,508 1.118,509 1.035,510 1.103,511 1.063,512 1.188,513 1.087,514 0.981,515 1.029,516 1.027,517 1.078,518 0.819,519 1.062,520 1.11,521 0.979,522 0.989,523 1.028,524 1.117,525 0.999,526 1.374,527 0.992,528 1.093,529 1.041,530 1.522,531 1.039,532 1.265,533 0.963,534 0.913,535 0.928,536 1.135,537 0.883,538 1.527,539 0.944,540 1.075,541 0.922,542 1.312,543 0.942,544 4.5,545 0.094,546 2.222,547 1.229,548 0.991,549 0.577,550 0.304,551 0.285,552 0.153,553 0.125,554 11968,555 30351,556 2.159,557 42.9,559 12,560 1,561 4,562 2,564 2,567 1.704,568 2.1,569 3.676,570 0.176,571 1,572 1,577 72.085,578 1.471,579 3.603,580 4.724,581 5.288,582 5.37,583 5.37,584 3.098,585 4.45,586 4.781,587 3.863,588 1460.24,589 8.278,590 20652.7,592 1,594 1,595 275.121,596 1.018,597 4.772,598 0.145,599 0.004,600 0.054,601 0.032,602 0.031,603 0.019,604 0.01,605 0.01,606 0.006,607 0.005,608 0.317,609 0.33,610 1,611 0.343,612 144.615,613 -0.068,614 -0.061,615 0.037,616 0.012,617 -0.118,618 0.033,619 -0.149,620 -0.047,621 -0.116,622 -0.061,623 -0.13,624 -0.078,625 0.05,626 -0.067,627 -0.141,628 -0.077,629 -0.055,630 -0.128,631 -0.048,632 -0.079,633 -0.039,634 -0.087,635 -0.01,636 -0.064,637 0.018,638 -0.027,639 0.023,640 -0.046,641 0.066,642 -0.014,643 0.006,644 -0.035,645 -0.07,646 -0.07,647 -0.041,648 -0.08,649 -0.053,650 -0.015,651 0.125,652 0.049,653 0.053,654 0.104,655 -0.151,656 0.033,657 -0.05,658 0.041,659 -0.12,660 0.01,661 1.935,662 4.384,663 0.75,664 29.531,665 0.998,666 1.115,667 1.682,668 2.828,669 0.689,670 3.466,671 3.738,672 3.97,673 4.205,674 4.369,675 4.304,676 4.394,677 4.443,678 4.443,679 4.477,680 7.753,681 0.658,682 371.47,683 3.466,684 4.977,685 5.802,686 6.65,687 7.489,688 8.342,689 9.188,690 10.043,691 10.892,692 11.749,693 6.1,701 1,703 2,708 2,709 12,710 2,711 1,714 4,716 22,733 1,735 49,737 23,738 1,739 31,741 52,742 23,743 18,744 2,745 4,746 2,748 4,749 5,760 2,762 20,763 3,767 1,774 2,780 1,783 21,784 4,785 2,786 5,792 3,797 0.75,798 2,800 1,809 2,811 1,815 1,816 3,819 1,834 2,841 1,843 3,851 28,857 1,858 2,861 1,863 1,874 4.1,875 1,879 1,881 13.333,882 8.517,883 6.222,884 2.771,886 4.588,887 1.613,888 0.979,889 5.691,890 12.077,891 3.784,892 4.373,893 4.971,894 5.55,895 6.035,896 6.167,897 6.533,898 6.839,899 6.916,900 7.169,901 0.889,902 38,903 10.312,905 4.324,906 7.655,907 19.776,909 16.046,911 2.155,912 60.333,915 1,916 223.651,917 157.167,918 50.357,920 53.683,923 157.167,924 277.334,925 50.357,927 7.127,928 137.017,929 80.655,930 81.348,931 13.915,932 164.795,934 223.651,935 207.524,936 53.683,939 200.109,940 34.542,941 42.683,943 60.102,944 94.898,945 52.524,947 223.651,948 104.04,949 157.167,952 223.651,953 26.644,954 130.523,955 16.786,956 87.254,957 223.651,958 104.04,959 157.167,961 0.567,962 0.322,963 0.177,964 0.095,965 19,966 7,967 0.135,968 7,969 1,970 1.095,971 4.258,972 228.209,973 0.095,974 21,975 130.606,981 18.268,982 8.723,983 4.801,984 2.204,985 87.254,986 22.73,987 8.223,988 3.229,991 3.713,993 59.469,994 484.858,995 43,1002 3.964,1007 48.912,1008 54.651,1009 0.262,1010 0.642,1011 0.841,1012 0.942,1013 0.956,1014 0.956,1015 4.973,1016 1.495,1017 5.74,1018 3.711,1019 4.419,1020 5.059,1021 0.908,1022 6.469,1023 4.353,1024 6.158,1025 1.232,1026 7.238,1027 3.152,1028 3.761,1029 4.62,1031 7.182,1032 3.689,1033 7.432,1034 1.152,1035 8.834,1036 2.759,1037 5.927,1038 7.253,1039 0.739,1040 10.269,1041 5.815,1042 8.746,1043 1,1044 10.492,1045 2.665,1046 6.133,1047 7.742,1049 11.893,1050 6.021,1051 10.094,1052 0.691,1053 12.192,1054 2.136,1055 7.705,1056 9.757,1057 0.593,1058 14.462,1059 7.56,1060 11.468,1061 0.604,1062 13.923,1063 1.62,1064 8.343,1065 10.727,1067 16.486,1068 8.198,1069 12.865,1070 0.495,1071 15.678,1072 1.41,1073 9.647,1074 12.454,1075 0.469,1076 18.887,1077 9.476,1078 3.072,1079 -0.311,1080 17.452,1081 1.14,1082 10.511,1083 13.68,1085 21.086,1086 10.337,1087 2.717,1088 10.301,1089 19.241,1090 -0.805,1091 11.693,1092 15.271,1093 0.366,1094 23.435,1095 11.5,1096 2.509,1097 7.776,1098 21.044,1099 4.474,1100 12.675,1101 16.63,1103 25.709,1104 12.476,1105 2.364,1106 6.97,1107 22.858,1108 3.726,1109 13.806,1110 18.161,1111 0.283,1112 28.043,1113 13.591,1114 2.055,1115 6.654,1116 24.682,1117 3.481,1118 14.849,1119 19.586,1121 30.349,1122 14.625,1123 1.821,1124 5.909,1125 26.514,1126 2.812,1127 15.96,1128 21.092,1129 0.217,1130 32.68,1131 15.723,1132 1.546,1133 5.158,1134 28.353,1135 2.706,1136 17.035,1137 22.551,1139 35,1140 16.788,1141 11098,1142 17788,1143 21.553,1144 33.779,1145 46.208,1146 45.856,1147 45.856,1148 45.481,1149 45.505,1150 62.607,1151 1.72,1152 122.724,1153 43.86,1154 5.427,1155 5.171,1156 6.335,1157 5.122,1158 5.072,1159 7.474,1160 1.72,1161 17.025,1162 5.029,1163 6.705,1164 1.491,1165 1.479,1166 1.479,1167 1.467,1168 1.468,1169 2.02,1170 0.055,1171 3.959,1172 1.415,1173 4.128,1174 4.162,1175 4.083,1176 4.046,1177 6.449,1178 4.051,1179 3.949,1180 3.981,1181 3.896,1182 3.864,1183 4.989,1184 3.867,1185 3.816,1186 3.853,1187 3.76,1188 3.702,1189 4.951,1190 3.711,1191 3.603,1192 3.644,1193 3.486,1194 3.462,1195 4.89,1196 3.459,1197 3.372,1198 3.429,1199 3.265,1200 3.211,1201 4.406,1202 3.218,1203 3.26,1204 3.315,1205 3.16,1206 3.117,1207 4.304,1208 3.119,1209 2.998,1210 3.065,1211 2.873,1212 2.828,1213 4.232,1214 2.827,1215 2.854,1216 2.925,1217 2.73,1218 2.735,1219 3.809,1220 2.715,1221 0.146,1222 0.102,1223 0.211,1224 0.131,1225 0.099,1226 4.527,1227 0.144,1228 3.171,1229 0.028,1230 6.533,1231 0.332,1232 4.058,1233 0.098,1234 3.072,1235 4.474,1236 0.86,1237 10.301,1238 3.029,1239 1.941,1240 1.918,1241 2.04,1242 2.026,1243 1.247,1244 2.03,1245 1.912,1246 1.883,1247 2.012,1248 2.013,1249 1.08,1250 2.016,1251 1.781,1252 1.748,1253 1.895,1254 1.927,1255 1.053,1256 1.919,1257 1.661,1258 1.616,1259 1.835,1260 1.839,1261 0.911,1262 1.841,1263 1.361,1264 1.309,1265 1.562,1266 1.603,1267 0.687,1268 1.595,1269 1.238,1270 1.184,1271 1.433,1272 1.413,1273 0.447,1274 1.424,1275 1.032,1276 0.975,1277 1.277,1278 1.245,1279 0.381,1280 1.26,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.143,1289 5.425,1290 2.398,1291 6.895,1292 4.727,1293 8.447,1294 6.823,1295 10.041,1302 10.384,1303 0.734,1306 5.755,1308 -0.602,1314 32.235,1315 72.085,1316 176.557,1317 231.469,1318 259.121,1319 263.121,1320 263.121,1321 39.927,1322 7.489,1323 71.03,1324 71.03,1325 23,1326 12.304,1327 4.585,1328 3.7,1329 42.751,1330 132,1331 120,1332 0.153,1333 197.995,1334 334.96,1335 474.867,1336 21786,1338 19.184,1339 0.685,1340 0.547,1341 19.184,1342 15.324,1343 13.776,1344 0.444,1345 0.296,1346 9.064,1347 13.361,1348 8.879,1349 7.367,1350 13.776,1351 9.168,1352 11.944,1353 0.291,1354 0.161,1355 11.944,1356 6.596,1357 9.854,1358 0.189,1359 0.086,1360 9.854,1361 4.481,1362 8.179,1363 0.124,1364 0.047,1365 8.179,1366 3.078,1367 6.546,1368 0.084,1369 0.026,1370 6.546,1371 2.018,1372 0.251,1373 85.596,1374 0.215,1375 27.561,1376 0.395,1377 144,1378 395.508,1379 154.143,1380 387.847,1381 534.7,1382 366,1383 165,1384 390.924,1385 175.477,1386 400.289,1387 576.33,1388 377,1389 5.1}
{0 CHEMBL1993661,1 1.907,2 11.875,3 3.932,4 15.464,5 121.203,6 8.889,7 0.529,8 4.111,9 4.204,10 3.936,11 3.603,12 5.286,13 3.6,14 4.616,15 4.763,16 4.226,17 3.934,18 5.96,19 3.928,20 4.737,21 4.86,22 4.388,23 4.076,24 6.042,25 4.065,26 4.876,27 5.021,28 4.331,29 4.12,30 6.196,31 4.093,32 4.969,33 5.147,34 4.274,35 4.142,36 6.153,37 4.104,38 4.94,39 5.135,40 4.313,41 4.162,42 6.119,43 4.066,44 4.929,45 5.175,46 4.294,47 4.037,48 6.102,49 3.956,50 4.72,51 4.943,52 4.027,53 3.848,54 5.956,55 3.787,56 0.217,57 0.817,58 11.13,59 4.877,60 18.24,61 5.224,62 0.78,63 1.183,64 21.82,65 7.902,66 71.311,67 8.566,68 0.774,69 1.363,70 27.423,71 8.946,72 52.855,73 9.749,74 0.965,75 1.481,76 28.741,77 10.282,78 78.167,79 11.32,80 1.12,81 1.543,82 32.723,83 10.225,84 87.585,85 11.683,86 1.002,87 1.511,88 35.996,89 11.195,90 75.128,91 13.62,92 0.96,93 1.399,94 42.247,95 11.025,96 86.777,97 15.104,98 0.966,99 1.154,100 32.351,101 7.993,102 82.503,103 10.151,104 67,105 48,106 0.314,107 0.628,108 0.74,109 0.796,110 0.81,111 0.836,112 3.502,113 0.978,114 -2.37,115 -2.41,116 -2.36,119 37,124 4,142 6,144 7,145 1,147 1,150 1,172 3,174 2,175 2,178 5,180 3,183 3,187 2,188 6,193 4,196 1,199 1,200 11,203 5,204 2,205 3,213 4,216 1,218 2,221 1,224 6,225 2,228 1,230 3,233 2,237 2,238 4,243 3,246 3,249 2,250 1,253 5,254 1,255 1,258 2,264 2,267 1,272 4,276 1682,277 21.452,278 21.452,279 21.452,280 21.452,281 21.452,282 18.937,283 30.317,284 12.275,285 22.453,286 16.473,287 16.473,288 16.473,289 16.473,290 16.473,291 12.401,292 48.09,293 5.432,294 17.938,295 3.848,296 1.948,297 1.265,298 0.927,299 0.839,300 0.686,301 4.18,302 1,305 1,306 1,307 786,308 4.062,312 334.929,319 1.773,320 43.701,323 1,324 0.67,325 0.83,326 0.6,328 1,329 1,330 0.73,331 71.833,332 380,333 4.879,334 4.704,335 7.392,336 4.342,337 3.424,338 4.736,339 0.86,340 12.808,341 3.114,342 4.426,343 3.375,344 6.524,345 4.011,346 3.069,347 4.11,348 0.86,349 10.264,350 2.886,351 4.259,352 3.208,353 6.126,354 3.795,355 2.889,356 3.903,357 0.86,358 9.007,359 2.599,360 3.862,361 2.699,362 5.673,363 3.411,364 2.462,365 3.405,366 0.4,367 7.585,368 2.342,369 3.666,370 2.555,371 5.481,372 3.265,373 2.323,374 3.001,375 0.4,376 7.175,377 2.157,378 3.355,379 2.545,380 5.19,381 2.972,382 2.061,383 2.613,385 6.118,386 1.867,387 3.312,388 2.159,389 4.962,390 2.845,391 1.923,392 2.604,394 5.752,395 1.756,396 2.965,397 1.915,398 4.39,399 2.508,400 1.573,401 2.143,403 4.038,404 1.451,405 2.767,406 1.809,407 4.085,408 2.257,409 1.311,410 1.883,412 3.233,413 1.215,414 2.662,415 1.419,416 3.78,417 2.167,418 1.186,419 1.722,421 2.858,422 1.156,423 2.201,424 1.378,425 3.626,426 1.966,427 1.145,428 1.187,430 2.397,431 0.936,432 1.629,433 1.026,434 3.104,435 1.327,436 0.418,437 0.477,439 0.87,440 0.371,441 1.576,442 0.916,443 2.998,444 1.27,445 0.396,446 0.452,448 0.603,449 0.342,450 1.539,451 0.768,452 2.93,453 1.235,454 0.381,455 0.42,457 0.542,458 0.316,459 1.431,460 0.73,461 2.859,462 1.141,463 0.292,464 0.33,466 0.428,467 0.233,468 15.214,469 0.475,470 0.85,471 0.027,472 45,473 1.406,474 23.5,475 0.734,476 21.5,477 0.672,478 25.479,479 0.796,480 35.786,481 0.663,482 38.839,483 1.214,484 9.19,485 0.287,486 6.131,487 0.192,488 0.222,489 0.055,490 0.296,496 0.79,497 1.54,498 0.703,499 1.272,500 0.735,501 0.957,502 1.075,503 0.849,504 0.751,505 0.714,506 0.711,507 0.671,508 0.949,509 1.368,510 1.057,511 1.259,512 0.961,513 0.993,514 1.085,515 1.177,516 1.009,517 1.115,518 1.353,519 1.093,520 1.402,521 1.037,522 0.941,523 0.829,524 1.213,525 0.962,526 0.863,527 1.047,528 0.956,529 0.928,530 0.782,531 1.11,532 0.58,533 1.035,534 0.802,535 0.913,536 0.542,537 0.821,538 0.986,539 0.666,540 1.155,541 0.723,542 0.926,543 0.821,544 8,545 0.219,546 4.222,547 2.938,548 2.058,549 1.375,550 0.853,551 0.589,552 0.402,553 0.328,554 12852,555 46055,556 1.968,557 40.7,559 18,561 1,562 3,567 1.747,568 1.803,569 3.517,570 0.977,572 1,577 102.999,578 1.907,579 3.807,580 4.49,581 4.828,582 4.916,583 5.069,584 2.878,585 4.304,586 4.976,587 3.706,588 1838.03,589 8.711,590 26977.6,595 310.764,596 1.663,597 4.899,598 0.235,599 0.008,600 0.088,601 0.054,602 0.04,603 0.029,604 0.019,605 0.014,606 0.011,607 0.011,608 0.509,609 0.33,610 0.75,611 1.167,612 167.958,613 -0.042,614 -0.285,615 0.13,616 -0.159,617 -0.175,618 -0.023,619 -0.006,620 0.246,621 0.104,622 0.259,623 0.186,624 0.238,625 0.029,626 -0.218,627 -0.046,628 -0.168,629 0.006,630 -0.062,631 -0.028,632 -0.099,633 -0.147,634 -0.146,635 -0.098,636 -0.183,637 -0.305,638 -0.032,639 -0.125,640 0.056,641 -0.223,642 -0.05,643 0.004,644 -0.031,645 -0.017,646 -0.004,647 -0.031,648 -0.144,649 0.207,650 -0.125,651 0.303,652 0.037,653 0.241,654 0.228,655 -0.008,656 0.336,657 -0.06,658 0.159,659 0.001,660 0.12,661 4.613,662 5.315,663 0.563,664 30.563,665 1.028,666 1.132,667 1.145,668 1.311,669 0.679,670 3.555,671 3.892,672 4.159,673 4.382,674 4.575,675 4.595,676 4.691,677 4.745,678 4.82,679 4.949,680 7.181,681 0.656,682 479.99,683 3.555,684 5.106,685 5.958,686 6.847,687 7.716,688 8.607,689 9.481,690 10.372,691 11.247,692 12.137,693 9.3,695 1,701 2,703 2,709 7,710 2,714 9,716 18,728 2,733 3,734 1,735 54,737 20,738 2,739 34,741 56,742 20,743 16,744 6,745 6,748 3,749 3,750 1,762 16,763 4,767 2,770 1,772 2,783 22,784 10,785 3,786 12,787 2,792 5,797 1,798 5,810 1,816 3,843 3,845 1,847 4,848 1,851 32,855 1,860 3,861 3,873 1,874 9.3,877 2,879 3,881 17.75,882 10.876,883 7.319,884 2.683,886 3.634,887 1.478,888 0.96,889 7.894,890 11.23,891 3.829,892 4.472,893 5.006,894 5.535,895 6.042,896 6.222,897 6.544,898 6.866,899 7.227,900 7.643,901 0.875,902 54,903 11.979,905 5.197,906 8.001,907 21.699,909 16.908,911 2.501,912 80.028,916 223.651,917 143.28,918 85.998,919 39.149,920 77.313,922 5.807,923 137.473,924 340.112,925 85.998,926 41.046,928 79.07,929 89.655,930 104.364,931 4.227,932 211.88,933 39.149,934 223.651,935 223.47,936 77.313,937 44.956,939 223.651,940 77.313,943 63.373,944 126.526,945 78.527,947 223.651,948 163.31,949 182.429,951 5.807,952 223.651,953 30.522,954 106.95,955 52.426,956 150.032,957 223.651,958 163.31,959 182.429,961 0.578,962 0.358,963 0.19,964 0.101,965 21,966 11,967 0.161,968 9,970 1,971 4.076,972 287.794,974 18,975 147.245,980 1,981 24.193,982 10.441,983 5.494,985 163.31,986 11.178,987 8.551,991 2.916,993 52.426,994 569.39,995 45,998 -3.697,1000 24.63,1007 55.498,1008 61.139,1009 0.331,1010 0.661,1011 0.78,1012 0.839,1013 0.854,1014 0.881,1015 5.072,1016 1.573,1017 5.984,1018 5.752,1019 4.575,1020 5.159,1021 1.805,1022 6.851,1023 4.412,1024 6.322,1025 1.311,1026 7.591,1027 4.038,1028 4.369,1029 5.27,1031 8.067,1032 4.105,1033 7.683,1034 1.186,1035 9.309,1036 3.233,1037 6.271,1038 7.492,1039 1.478,1040 11.099,1041 5.953,1042 9.086,1043 1.145,1044 11.093,1045 2.858,1046 6.868,1047 8.388,1049 13.121,1050 6.429,1051 10.522,1052 0.418,1053 12.921,1054 2.397,1055 8.289,1056 10.155,1057 1.237,1058 15.769,1059 7.801,1060 11.983,1061 0.396,1062 14.781,1063 0.87,1064 9.228,1065 11.389,1067 18.104,1068 8.619,1069 13.462,1070 0.381,1071 16.665,1072 0.603,1073 10.488,1074 12.998,1075 1.029,1076 20.657,1077 9.819,1078 3.424,1079 0.292,1080 18.568,1081 0.542,1082 11.575,1083 14.387,1085 23.114,1086 10.792,1087 3.069,1088 12.808,1089 20.486,1090 0.428,1091 12.785,1092 15.941,1093 0.845,1094 25.647,1095 11.928,1096 2.889,1097 10.264,1098 22.416,1099 4.736,1100 13.935,1101 17.404,1103 28.153,1104 12.974,1105 2.462,1106 9.007,1107 24.358,1108 4.11,1109 15.134,1110 18.94,1111 0.684,1112 30.688,1113 14.089,1114 2.323,1115 7.585,1116 26.308,1117 3.903,1118 16.315,1119 20.44,1121 33.215,1122 15.169,1123 2.061,1124 7.175,1125 28.266,1126 3.405,1127 17.514,1128 21.974,1129 0.546,1130 35.754,1131 16.28,1132 1.923,1133 6.118,1134 30.23,1135 3.001,1136 18.71,1137 23.494,1139 38.291,1140 17.377,1141 12833,1142 24492,1143 21.671,1144 36.659,1145 49.354,1146 52.114,1147 53.533,1148 49.746,1149 49.778,1150 66.062,1151 6.76,1152 147.522,1153 45.549,1154 5.696,1155 6.704,1156 7.072,1157 5.422,1158 5.424,1159 7.736,1160 1.72,1161 20.475,1162 5.114,1163 20.105,1164 1.452,1165 1.533,1166 1.575,1167 1.463,1168 1.464,1169 1.943,1170 0.199,1171 4.339,1172 1.34,1173 4.086,1174 4.079,1175 4.735,1176 4.063,1177 7.717,1178 3.983,1179 3.953,1180 3.966,1181 4.014,1182 3.839,1183 6.999,1184 3.852,1185 3.804,1186 3.83,1187 3.88,1188 3.661,1189 5.105,1190 3.669,1191 3.638,1192 3.655,1193 3.689,1194 3.54,1195 4.962,1196 3.481,1197 3.303,1198 3.355,1199 3.346,1200 3.033,1201 4.705,1202 3.058,1203 3.288,1204 3.347,1205 3.144,1206 3.006,1207 4.58,1208 3.026,1209 3.202,1210 3.281,1211 3.069,1212 2.897,1213 4.536,1214 2.897,1215 3.115,1216 3.188,1217 2.97,1218 2.881,1219 4.456,1220 2.859,1221 0.144,1222 0.138,1223 0.217,1224 0.128,1225 0.101,1226 4.879,1227 0.139,1228 4.704,1229 0.025,1230 7.392,1231 0.377,1232 4.342,1233 0.092,1234 3.424,1235 4.736,1236 0.86,1237 12.808,1238 3.114,1239 1.966,1240 1.97,1241 1.991,1242 2.06,1243 1.181,1244 2.078,1245 1.877,1246 1.863,1247 1.946,1248 2.011,1249 1.068,1250 1.997,1251 1.698,1252 1.667,1253 1.73,1254 1.874,1255 0.77,1256 1.853,1257 1.512,1258 1.51,1259 1.656,1260 1.717,1261 0.733,1262 1.745,1263 1.227,1264 1.163,1265 1.59,1266 1.558,1267 0.584,1268 1.565,1269 1.214,1270 1.15,1271 1.572,1272 1.521,1273 0.575,1274 1.536,1275 1.159,1276 1.072,1277 1.54,1278 1.476,1279 0.562,1280 1.498,1281 1.075,1282 1.002,1283 1.194,1284 1.307,1285 0.423,1286 1.362,1287 4.234,1289 5.565,1291 7.102,1293 8.732,1295 10.406,1297 5.875,1298 6.248,1305 8.3,1306 16.027,1314 35.437,1315 102.999,1316 205.564,1317 242.46,1318 260.725,1319 265.48,1320 273.744,1321 75.413,1322 7.596,1323 123.7,1324 132.08,1325 18,1326 12.669,1327 4.392,1328 3.585,1329 61.128,1330 141,1331 122,1332 0.215,1333 227.507,1334 393.69,1335 546.877,1336 21109,1337 1.9,1338 23.303,1339 0.728,1340 0.604,1341 24.053,1342 19.336,1343 15.322,1344 0.451,1345 0.326,1346 9.136,1347 13.327,1348 8.668,1349 7.289,1350 16.431,1351 11.079,1352 13.627,1353 0.284,1354 0.178,1355 15.354,1356 8.52,1357 11.571,1358 0.184,1359 0.097,1360 13.098,1361 6.112,1362 9.181,1363 0.116,1364 0.049,1365 10.173,1366 3.864,1367 7.395,1368 0.077,1369 0.027,1370 8.283,1371 2.562,1372 0.338,1373 109.871,1374 0.215,1375 29.723,1376 0.587,1377 164,1378 608.03,1379 238.501,1380 619.702,1381 824.81,1382 574,1383 193,1384 548.546,1385 272.539,1386 600.27,1387 872.56,1388 556,1389 8.3}
{0 CHEMBL1993722,1 1.771,2 12.2,3 3.01,4 9.06,5 108.322,6 8.813,7 0.667,8 3.971,9 4.081,10 3.652,11 3.515,12 5.294,13 3.541,14 4.407,15 4.524,16 4.035,17 3.9,18 5.833,19 3.906,20 4.666,21 4.829,22 4.088,23 4.006,24 6.008,25 4,26 4.73,27 4.914,28 4.029,29 3.964,30 6.046,31 3.951,32 4.689,33 4.878,34 3.975,35 3.874,36 6.139,37 3.857,38 4.624,39 4.838,40 3.802,41 3.746,42 6.071,43 3.714,44 4.431,45 4.653,46 3.628,47 3.58,48 5.866,49 3.536,50 4.259,51 4.467,52 3.521,53 3.461,54 5.553,55 3.437,56 0.205,57 0.779,58 6.708,59 3.6,60 23.657,61 3.661,62 0.391,63 1.193,64 10.701,65 6.121,66 47.51,67 6.841,68 0.552,69 1.489,70 17.423,71 7.678,72 63.713,73 8.518,74 0.628,75 1.489,76 20.941,77 8.434,78 86.505,79 9.487,80 0.789,81 1.365,82 20.676,83 7.741,84 105.444,85 9.142,86 0.842,87 1.245,88 21.576,89 7.373,90 135.092,91 8.838,92 0.665,93 1.039,94 18.082,95 6.334,96 98.859,97 8.139,98 0.451,99 0.93,100 14.689,101 5.7,102 61.377,103 6.695,104 27,105 47,106 0.297,107 0.603,108 0.748,109 0.862,110 0.891,111 0.891,112 3.44,113 0.805,114 -4.28,115 -4.21,116 -3.98,119 45.7,142 10,143 4,144 3,146 1,153 1,158 1,159 1,163 1,164 1,165 1,167 1,168 1,170 1,172 12,173 1,175 3,178 3,179 2,180 6,182 1,183 14,184 2,185 1,188 4,190 1,191 1,193 9,196 12,197 1,198 1,200 6,205 12,206 1,208 7,210 3,213 6,216 1,217 1,218 10,221 4,223 3,225 4,226 1,230 8,231 1,233 4,235 2,237 1,238 1,241 2,242 1,243 2,246 6,250 2,253 1,254 2,255 3,257 1,258 7,259 2,264 3,269 3,272 5,273 2,276 1424,277 20.016,278 20.016,279 20.016,280 20.016,281 20.016,282 17.078,283 17.119,284 11.592,285 20.263,286 16.26,287 16.26,288 16.26,289 16.26,290 16.26,291 11.838,292 20.358,293 5.474,294 16.669,295 3.752,296 1.931,297 1.07,298 0.391,299 0.217,300 0.217,301 4.133,305 1,306 1,307 795,308 3.536,311 72.473,312 298.59,315 135.637,319 1.987,320 43.009,323 0.75,324 0.83,325 0.83,326 0.3,328 0.83,329 1,330 0.65,331 67,332 366,333 4.661,334 3.6,335 6.879,336 4.209,337 3.223,338 4.621,339 1.656,340 11.471,341 3.18,342 4.314,343 3.555,344 6.174,345 3.92,346 2.947,347 3.959,348 1.437,349 9.122,350 2.865,351 4.078,352 3.24,353 5.887,354 3.669,355 2.69,356 3.693,357 0.247,358 8.163,359 2.629,360 3.86,361 3.082,362 5.772,363 3.507,364 2.526,365 3.205,367 7.694,368 2.456,369 3.724,370 2.672,371 5.446,372 3.35,373 2.381,374 3.094,376 7.181,377 2.294,378 3.412,379 2.347,380 4.955,381 2.981,382 1.995,383 2.703,385 5.457,386 1.952,387 3.343,388 2.009,389 4.816,390 2.87,391 1.911,392 2.652,394 5.361,395 1.83,396 2.968,397 1.983,398 4.459,399 2.487,400 1.507,401 2.175,403 4.198,404 1.474,405 2.808,406 1.744,407 4.122,408 2.347,409 1.365,410 1.916,412 3.613,413 1.333,414 2.754,415 1.535,416 3.817,417 2.226,418 1.233,419 1.751,421 2.895,422 1.197,423 2.631,424 1.185,425 3.783,426 2.138,427 1.157,428 1.692,430 2.803,431 1.132,432 2.5,433 1,434 3.414,435 2,436 1,437 1.5,439 2.275,440 1,441 2.174,442 0.784,443 3.327,444 1.703,445 0.721,446 1.031,448 1.751,449 0.706,450 1.476,451 0.726,452 3.005,453 1.15,454 0.222,455 0.264,457 0.557,458 0.203,459 1.331,460 0.565,461 2.601,462 0.939,463 -0.036,464 -0.045,466 -0.086,467 -0.034,468 13.786,469 0.46,470 0.839,471 0.028,472 43.75,473 1.458,474 24.5,475 0.817,476 19.25,477 0.642,478 19.803,479 0.66,480 31.214,481 0.679,482 35.748,483 1.192,484 9.092,485 0.303,486 5.327,487 0.178,488 0.122,490 0.399,494 1,496 0.769,497 0.884,498 0.698,499 0.768,500 0.692,501 0.707,502 0.47,503 1.042,504 0.69,505 1.04,506 0.478,507 0.969,508 0.903,509 1.043,510 0.981,511 1.051,512 0.846,513 1.038,514 1.094,515 1.167,516 1.071,517 1.131,518 1.03,519 1.099,520 0.856,521 0.977,522 1.025,523 1.074,524 0.893,525 1.096,526 0.937,527 0.971,528 1.073,529 0.975,530 0.902,531 1.034,532 0.684,533 0.923,534 0.923,535 0.924,536 0.645,537 0.974,538 1.028,539 0.964,540 0.954,541 0.964,542 1.056,543 0.954,544 6.5,545 0.143,546 3.778,547 2.347,548 1.719,549 1.084,550 0.655,551 0.339,552 0.257,553 0.248,554 12934,555 44513,556 2.067,557 34.8,559 10,562 6,567 1.723,568 1.915,569 3.549,570 3.29,571 1,572 1,577 81.481,578 1.771,579 3.593,580 4.454,581 5.132,582 5.306,583 5.306,584 2.899,585 4.507,586 4.883,587 3.79,588 1648.71,589 8.485,590 23859.1,592 1,594 1,595 254.084,596 1.475,597 4.828,598 0.197,599 0.006,600 0.08,601 0.049,602 0.039,603 0.027,604 0.02,605 0.012,606 0.01,607 0.01,608 0.45,610 1,611 0.758,612 156.504,613 -0.122,614 0.139,615 -0.029,616 0.174,617 -0.13,618 0.13,619 0.188,620 -0.038,621 0.025,622 -0.065,623 0.128,624 -0.081,625 -0.083,626 -0.024,627 -0.119,628 -0.081,629 -0.055,630 -0.102,631 -0.163,632 -0.171,633 -0.114,634 -0.145,635 -0.116,636 -0.117,637 0.073,638 -0.069,639 -0.044,640 -0.112,641 0.054,642 -0.117,643 0.048,644 -0.033,645 -0.014,646 0.001,647 0.09,648 -0.011,649 0.205,650 -0.013,651 0.142,652 0.066,653 0.224,654 0.086,655 -0.037,656 0.054,657 0.089,658 0.055,659 -0.07,660 0.09,661 2.887,662 5.853,663 0.7,664 29.964,665 1.028,666 1.129,667 3.045,668 9.274,669 0.693,670 3.526,671 3.871,672 4.143,673 4.407,674 4.615,675 4.635,676 4.727,677 4.804,678 4.828,679 4.898,680 7.581,681 0.691,682 405.42,683 3.526,684 5.081,685 5.938,686 6.823,687 7.697,688 8.584,689 9.463,690 10.351,691 11.234,692 12.123,693 10.9,697 1,700 2,701 1,703 1,708 2,709 10,710 1,711 1,714 7,716 22,725 1,727 1,734 1,735 46,737 24,738 3,739 33,741 49,742 21,743 19,744 8,745 10,746 1,748 4,749 5,753 1,762 21,767 2,772 2,776 2,780 1,781 1,783 16,784 8,785 6,786 9,792 5,797 0.75,798 3,807 1,815 1,816 3,819 1,841 1,843 3,849 1,851 30,852 1,857 1,860 2,873 1,874 6.5,876 1,877 2,881 15.667,882 8.043,883 6.5,884 2.429,886 4.282,887 1.549,888 1.017,889 5.292,890 12.086,891 3.85,892 4.503,893 5.114,894 5.737,895 6.276,896 6.551,897 6.96,898 7.34,899 7.567,900 7.91,901 0.875,902 48,903 11.085,905 4.909,906 8.194,907 20.084,909 16.402,911 2.694,912 80.833,915 1,916 117.711,917 131.184,918 102.245,920 92.973,921 14.96,923 131.184,924 210.684,925 117.205,927 36.022,928 127.66,929 110.546,930 47.899,931 19.236,932 117.711,934 117.711,935 233.429,936 107.933,939 132.671,940 92.973,943 57.157,944 159.61,945 16.663,947 132.671,948 195.218,949 131.184,952 117.711,953 36.422,954 94.762,955 52.685,956 157.494,957 117.711,958 210.178,959 131.184,961 0.59,962 0.346,963 0.185,964 0.102,965 23,966 11,967 0.082,968 4,969 1,970 1.095,971 4.155,972 264.632,973 0.095,974 21,975 143.207,981 19.732,982 8.046,983 4.095,984 1.557,985 193.515,986 15.787,987 4.143,988 2.758,991 1.597,993 128.265,994 459.073,995 46,1000 23.201,1004 -1.923,1007 47.305,1008 51.951,1009 0.321,1010 0.65,1011 0.806,1012 0.929,1013 0.961,1014 0.961,1015 5.085,1016 1.507,1017 5.938,1018 5.361,1019 4.554,1020 5.19,1021 2.295,1022 6.76,1023 4.506,1024 6.321,1025 1.365,1026 7.508,1027 4.198,1028 4.205,1029 5.075,1030 1.195,1031 7.692,1032 4.125,1033 7.644,1034 1.233,1035 9.177,1036 3.613,1037 6.163,1038 7.454,1039 2.981,1040 10.79,1041 6.072,1042 9.003,1043 1.157,1044 10.903,1045 2.895,1046 6.608,1047 8.159,1048 2.324,1049 12.567,1050 6.489,1051 10.391,1052 1,1053 12.666,1054 2.803,1055 8.059,1056 10.025,1057 3.766,1058 15.197,1059 7.93,1060 11.802,1061 0.721,1062 14.456,1063 2.275,1064 8.868,1065 11.131,1066 3.407,1067 17.341,1068 8.716,1069 13.231,1070 0.222,1071 16.266,1072 1.751,1073 10.119,1074 12.785,1075 4.606,1076 19.821,1077 9.958,1078 3.223,1079 -0.036,1080 18.093,1081 0.557,1082 11.101,1083 14.096,1084 4.464,1085 22.128,1086 10.921,1087 2.947,1088 11.471,1089 19.933,1090 -0.086,1091 12.275,1092 15.661,1093 5.484,1094 24.565,1095 12.084,1096 2.69,1097 9.122,1098 21.784,1099 4.621,1100 13.34,1101 17.075,1102 5.504,1103 26.944,1104 13.134,1105 2.526,1106 8.163,1107 23.645,1108 3.959,1109 14.488,1110 18.605,1111 6.391,1112 29.372,1113 14.271,1114 2.381,1115 7.694,1116 25.513,1117 3.693,1118 15.594,1119 20.072,1120 6.531,1121 31.782,1122 15.363,1123 1.995,1124 7.181,1125 27.389,1126 3.205,1127 16.736,1128 21.592,1129 7.321,1130 34.212,1131 16.494,1132 1.911,1133 5.457,1134 29.272,1135 3.094,1136 17.864,1137 23.085,1138 7.551,1139 36.636,1140 17.609,1141 12268,1142 22917,1143 21.789,1144 31.898,1145 50.378,1146 51.981,1147 51.954,1148 49.792,1149 49.757,1150 68.515,1151 6.68,1152 145.083,1153 48.504,1154 5.534,1155 5.6,1156 6.408,1157 5.255,1158 5.223,1159 7.621,1160 3.093,1161 18.697,1162 5.18,1163 16.392,1164 1.527,1165 1.575,1166 1.574,1167 1.509,1168 1.508,1169 2.076,1170 0.202,1171 4.396,1172 1.47,1173 4.13,1174 4.166,1175 4.1,1176 4.046,1177 8.201,1178 4.054,1179 3.951,1180 3.977,1181 3.916,1182 3.855,1183 7.475,1184 3.865,1185 3.851,1186 3.886,1187 3.798,1188 3.759,1189 7.431,1190 3.763,1191 3.464,1192 3.515,1193 3.42,1194 3.218,1195 6.351,1196 3.251,1197 3.389,1198 3.444,1199 3.306,1200 3.156,1201 5.242,1202 3.199,1203 3.262,1204 3.258,1205 3.228,1206 2.996,1207 4.799,1208 3.046,1209 2.993,1210 3.058,1211 2.914,1212 2.859,1213 4.695,1214 2.867,1215 2.854,1216 2.941,1217 2.705,1218 2.735,1219 4.587,1220 2.715,1221 0.141,1222 0.109,1223 0.208,1224 0.128,1225 0.098,1226 4.661,1227 0.14,1228 3.6,1229 0.05,1230 6.879,1231 0.348,1232 4.209,1233 0.096,1234 3.223,1235 4.621,1236 1.656,1237 11.471,1238 3.18,1239 2.009,1240 1.991,1241 2.084,1242 2.073,1243 1.235,1244 2.078,1245 1.896,1246 1.876,1247 1.973,1248 2.008,1249 1.073,1250 1.996,1251 1.777,1252 1.749,1253 1.884,1254 1.878,1255 0.979,1256 1.88,1257 1.396,1258 1.313,1259 1.544,1260 1.746,1261 0.458,1262 1.694,1263 1.279,1264 1.242,1265 1.397,1266 1.588,1267 0.345,1268 1.534,1269 1.079,1270 1.076,1271 1.19,1272 1.402,1273 0.227,1274 1.322,1275 0.975,1276 0.922,1277 1.181,1278 1.221,1279 0.218,1280 1.21,1281 0.893,1282 0.83,1283 1.161,1284 1.099,1285 0.156,1286 1.111,1287 4.205,1289 5.541,1290 2.398,1291 7.066,1292 4.727,1293 8.676,1294 6.823,1295 10.334,1299 13.853,1301 5.974,1302 8.994,1305 4.892,1314 31.796,1315 81.481,1316 165.281,1317 204.865,1318 236.084,1319 244.084,1320 244.084,1321 66.032,1322 7.805,1323 133.13,1324 133.13,1325 23,1326 12.653,1327 4.644,1328 3.807,1329 47.382,1330 140,1331 112,1332 0.165,1333 194.666,1334 334.58,1335 466.744,1336 29197,1337 2.2,1338 21.25,1339 0.708,1340 0.515,1341 20.38,1342 15.44,1343 14.419,1344 0.437,1345 0.268,1346 8.718,1347 13.802,1348 8.596,1349 7.109,1350 14.008,1351 8.86,1352 13.399,1353 0.285,1354 0.138,1355 12.881,1356 6.493,1357 11.085,1358 0.179,1359 0.073,1360 10.535,1361 4.524,1362 9.213,1363 0.114,1364 0.038,1365 9.032,1366 3.105,1367 7.522,1368 0.075,1369 0.02,1370 7.176,1371 2.045,1372 0.266,1373 91.124,1374 0.214,1375 28.696,1376 0.434,1377 160,1378 575.688,1379 179.271,1380 535.143,1381 713.73,1382 494,1383 189,1384 519.44,1385 206.343,1386 520.078,1387 757.95,1388 489,1389 6.9}
{0 CHEMBL1993781,1 1.466,2 13.889,3 2.151,4 4.626,5 106.938,6 7.23,7 0.621,8 3.99,9 4.107,10 3.53,11 3.538,12 5.112,13 3.514,14 4.479,15 4.637,16 3.778,17 3.866,18 5.529,19 3.817,20 4.699,21 4.902,22 3.769,23 3.947,24 5.72,25 3.851,26 4.74,27 4.993,28 3.584,29 3.831,30 5.616,31 3.709,32 4.558,33 4.793,34 3.573,35 3.777,36 5.478,37 3.676,38 4.6,39 4.83,40 3.623,41 3.814,42 5.572,43 3.712,44 4.632,45 4.878,46 3.615,47 3.778,48 5.617,49 3.678,50 4.546,51 4.791,52 3.453,53 3.653,54 5.513,55 3.545,56 0.031,57 0.689,58 10.368,59 4.56,60 11.731,61 5.941,62 0.182,63 1.049,64 18.574,65 7.182,66 24.772,67 9.31,68 0.347,69 1.243,70 24.322,71 9.206,72 41.988,73 12.478,74 0.422,75 1.194,76 27.387,77 9.692,78 42.188,79 13.255,80 0.201,81 1.085,82 21.62,83 7.873,84 29.146,85 10.956,86 0.21,87 1.146,88 22.389,89 8.244,90 33.553,91 11.467,92 0.25,93 1.171,94 23.596,95 8.087,96 38.242,97 11.541,98 0.248,99 1.046,100 21.911,101 7.46,102 37.378,103 10.368,104 2,105 36,106 0.246,107 0.562,108 0.744,109 0.851,110 0.867,111 0.867,112 3.338,113 0.913,114 -2.77,115 -2.78,116 -2.7,119 44,125 3,127 1,135 2,142 8,143 3,144 1,145 4,163 1,164 1,165 1,172 12,175 5,183 12,187 1,188 6,190 2,191 2,196 7,199 1,200 5,208 3,213 4,218 2,221 2,223 2,225 6,227 1,228 1,230 3,235 3,237 1,238 6,243 3,248 3,249 1,250 3,255 2,258 1,260 2,263 1,264 3,269 1,272 3,274 1,276 1299,277 18.69,278 18.69,279 18.69,280 18.69,281 18.69,282 16.358,283 11.483,284 11.761,285 19.079,286 14.382,287 14.382,288 14.382,289 14.382,290 14.382,291 11.016,292 13.19,293 5.692,294 14.993,295 4.178,296 2.299,297 1.215,298 0.575,299 0.48,300 0.48,301 4.029,304 1,305 1,306 1,307 801,308 3.464,312 311.494,319 2.337,320 17.488,322 1,323 1,324 1,325 0.83,326 0.6,327 0.5,328 1,329 1,330 0.85,331 57.5,332 375,333 4.113,334 2.966,335 5.611,336 3.687,337 2.718,338 3.726,339 1.151,340 7.775,341 2.642,342 3.916,343 2.852,344 5.344,345 3.517,346 2.535,347 3.481,348 0.86,349 6.976,350 2.493,351 3.897,352 2.575,353 5.338,354 3.49,355 2.505,356 3.444,358 6.963,359 2.462,360 3.469,361 2.489,362 5.073,363 3.297,364 2.34,365 2.716,367 6.199,368 2.226,369 3.291,370 2.227,371 4.896,372 2.983,373 2.028,374 2.341,376 5.704,377 1.925,378 2.967,379 1.863,380 3.676,381 2.519,382 1.548,383 2.145,385 3.229,386 1.503,387 2.929,388 1.514,389 3.641,390 2.433,391 1.495,392 2.091,394 3.151,395 1.399,396 2.697,397 1.442,398 3.506,399 2.153,400 1.239,401 1.779,403 2.695,404 1.129,405 2.5,406 1.276,407 3.343,408 2,409 1.065,410 1.5,412 2.328,413 1,414 2.5,415 1,416 3.247,417 1.984,418 1,419 1.5,421 2.136,422 0.983,423 2.307,424 1,425 3.247,426 1.946,427 1,428 1.175,430 2.136,431 0.927,432 2.195,433 0.979,434 3.092,435 1.591,436 0.61,437 0.983,439 1.428,440 0.597,441 1.653,442 0.602,443 2.945,444 1.404,445 0.521,446 0.578,448 1.186,449 0.456,450 1.037,451 0.354,452 2.434,453 0.79,454 -0.135,455 -0.149,457 -0.307,458 -0.122,459 0.919,460 -0.258,461 2.298,462 0.565,463 -0.406,464 -0.509,466 -0.974,467 -0.391,468 12.867,469 0.477,470 0.379,471 0.014,472 36.75,473 1.361,474 20,475 0.741,476 16.75,477 0.62,478 18.24,479 0.676,480 28.533,481 0.571,482 25.487,483 0.944,484 7.716,485 0.286,486 5.577,487 0.207,488 0.031,490 0.194,496 0.925,497 1.198,498 0.829,499 1.073,500 1.049,501 0.955,502 1.514,503 1.076,504 1.097,505 1.024,506 1.251,507 1.012,508 1.08,509 1.055,510 1.119,511 1.146,512 1.055,513 1.144,514 1.331,515 0.872,516 0.989,517 0.884,518 1.018,519 0.904,520 1.112,521 1.002,522 0.992,523 0.969,524 1.072,525 0.964,526 1.034,527 1.098,528 1.009,529 1.06,530 1.067,531 1.038,532 1.034,533 1.097,534 0.981,535 1.025,536 1.04,537 0.993,538 1.323,539 1.013,540 1.089,541 1.038,542 1.278,543 1.03,544 4,545 0.079,546 1.556,547 0.625,548 0.764,549 0.472,550 0.308,551 0.217,552 0.139,553 0.097,554 10935,555 27649,556 2.101,557 46,559 17,561 4,562 2,567 1.693,568 2.051,569 3.759,570 0.194,571 1,572 1,577 73.289,578 1.466,579 3.345,580 4.429,581 5.069,582 5.164,583 5.164,584 3.217,585 4.31,586 4.725,587 3.941,588 1383.16,589 8.163,590 19738.8,592 1,594 1,595 282.193,596 0.909,597 4.724,598 0.138,599 0.004,600 0.043,601 0.019,602 0.028,603 0.017,604 0.011,605 0.008,606 0.006,607 0.005,608 0.278,609 0.33,610 1,611 0.352,612 139.523,613 -0.035,614 -0.067,615 0.045,616 -0.037,617 -0.117,618 0.01,619 -0.218,620 -0.016,621 -0.146,622 -0.027,623 -0.205,624 -0.069,625 0.093,626 -0.059,627 -0.145,628 -0.16,629 0.028,630 -0.181,631 0.011,632 0.017,633 0.05,634 0.094,635 0.006,636 0.077,637 -0.093,638 -0.019,639 -0.008,640 0.007,641 -0.045,642 0.011,643 -0.033,644 -0.108,645 -0.03,646 -0.086,647 -0.004,648 -0.066,649 0.024,650 -0.101,651 0.021,652 -0.077,653 0.082,654 -0.034,655 -0.08,656 -0.038,657 -0.067,658 -0.094,659 -0.071,660 -0.079,661 1.537,662 2.252,663 0.667,664 32.346,665 0.996,666 1.121,667 1.539,668 2.37,669 0.671,670 3.401,671 3.611,672 3.761,673 3.912,674 4.078,675 3.932,676 3.989,677 4.025,678 4.111,679 4.094,680 8.124,681 0.635,682 361.48,683 3.401,684 4.875,685 5.659,686 6.466,687 7.261,688 8.07,689 8.869,690 9.679,691 10.48,692 11.292,693 6,694 1,703 2,709 12,710 2,714 4,716 18,733 1,735 50,737 19,738 1,739 29,741 52,742 22,743 16,744 1,745 5,746 2,748 3,749 3,760 1,762 18,763 4,767 1,774 2,779 1,780 1,783 23,784 5,785 2,786 5,792 3,797 1,798 2,809 2,816 3,834 2,836 1,842 1,843 3,851 27,852 1,858 3,861 2,863 1,874 4,878 1,879 1,881 13.167,882 8.567,883 6.167,884 2.739,886 3.52,887 1.506,888 0.963,889 7.25,890 10.475,891 3.689,892 4.182,893 4.67,894 5.15,895 5.647,896 5.552,897 5.879,898 6.164,899 6.558,900 6.802,901 1,902 33,903 9.917,905 3.992,906 7.63,907 19.037,909 14.813,911 2.13,912 57.5,916 247.193,917 159.529,918 66.468,920 22,923 159.529,924 269.193,925 66.468,927 46.674,928 94.762,929 91.655,930 61.99,932 200.109,934 247.193,935 225.998,936 22,939 247.193,940 11,941 11,943 82.864,944 90.61,945 52.524,947 247.193,948 88.468,949 159.529,952 247.193,953 28.577,954 130.952,956 88.468,957 247.193,958 88.468,959 159.529,961 0.553,962 0.301,963 0.155,964 0.085,965 14,966 5,967 0.173,968 9,970 1,971 4.234,972 200.934,974 18,975 118.382,981 18.932,982 10.34,983 6.76,985 88.468,986 22.83,987 8.221,991 3.848,993 32.897,994 495.191,995 39,1002 3.99,1007 49.796,1008 56.066,1009 0.26,1010 0.593,1011 0.785,1012 0.898,1013 0.915,1014 0.915,1015 4.848,1016 1.239,1017 5.557,1018 3.151,1019 4.29,1020 4.868,1021 1.635,1022 6.184,1023 4.214,1024 5.986,1025 1.065,1026 6.991,1027 2.695,1028 3.434,1029 4.111,1031 6.629,1032 3.374,1033 7.215,1034 1,1035 8.515,1036 2.328,1037 5.707,1038 6.903,1039 1.723,1040 9.658,1041 5.573,1042 8.476,1043 1,1044 10.091,1045 2.136,1046 5.673,1047 6.969,1049 10.936,1050 5.556,1051 9.766,1052 0.61,1053 11.702,1054 2.136,1055 7.341,1056 9.18,1057 1.865,1058 13.384,1059 7.162,1060 11.077,1061 0.521,1062 13.336,1063 1.428,1064 7.727,1065 9.68,1067 15.023,1068 7.554,1069 12.404,1070 -0.135,1071 14.985,1072 1.186,1073 9.087,1074 11.573,1075 2.048,1076 17.232,1077 8.864,1078 2.718,1079 -0.406,1080 16.644,1081 -0.307,1082 9.71,1083 12.335,1085 19.051,1086 9.484,1087 2.535,1088 7.775,1089 18.311,1090 -0.974,1091 10.899,1092 14.029,1093 2.261,1094 21.154,1095 10.634,1096 2.505,1097 6.976,1098 19.984,1099 3.726,1100 11.663,1101 14.962,1103 23.066,1104 11.386,1105 2.34,1106 6.963,1107 21.66,1108 3.481,1109 12.755,1110 16.526,1111 2.495,1112 25.122,1113 12.446,1114 2.028,1115 6.199,1116 23.34,1117 3.444,1118 13.603,1119 17.573,1121 27.085,1122 13.277,1123 1.548,1124 5.704,1125 25.023,1126 2.716,1127 14.642,1128 19.049,1129 2.743,1130 29.122,1131 14.287,1132 1.495,1133 3.229,1134 26.708,1135 2.341,1136 15.541,1137 20.174,1139 31.113,1140 15.164,1141 10430,1142 16699,1143 20.049,1144 33.54,1145 41.904,1146 41.915,1147 41.365,1148 41.175,1149 41.211,1150 54.92,1151 4.022,1152 103.811,1153 39.483,1154 5.041,1155 4.966,1156 5.413,1157 4.765,1158 4.718,1159 6.726,1160 2.302,1161 13.364,1162 4.642,1163 6.662,1164 1.445,1165 1.445,1166 1.426,1167 1.42,1168 1.421,1169 1.894,1170 0.139,1171 3.58,1172 1.361,1173 3.964,1174 3.996,1175 3.907,1176 3.878,1177 5.047,1178 3.879,1179 3.904,1180 3.934,1181 3.831,1182 3.837,1183 4.949,1184 3.832,1185 3.818,1186 3.856,1187 3.761,1188 3.702,1189 4.886,1190 3.712,1191 3.647,1192 3.707,1193 3.521,1194 3.455,1195 4.776,1196 3.462,1197 3.289,1198 3.334,1199 3.191,1200 3.141,1201 4.442,1202 3.145,1203 3.208,1204 3.267,1205 3.068,1206 3.018,1207 4.377,1208 3.018,1209 2.926,1210 2.994,1211 2.795,1212 2.735,1213 4.229,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.702,1220 2.715,1221 0.142,1222 0.102,1223 0.193,1224 0.127,1225 0.094,1226 4.113,1227 0.128,1228 2.966,1229 0.04,1230 5.611,1231 0.268,1232 3.687,1233 0.091,1234 2.718,1235 3.726,1236 1.151,1237 7.775,1238 2.642,1239 1.913,1240 1.885,1241 2.036,1242 2.023,1243 1.158,1244 2.022,1245 1.904,1246 1.877,1247 2.013,1248 1.997,1249 1.102,1250 2.009,1251 1.781,1252 1.748,1253 1.896,1254 1.927,1255 1.064,1256 1.921,1257 1.601,1258 1.545,1259 1.818,1260 1.823,1261 0.907,1262 1.826,1263 1.256,1264 1.211,1265 1.47,1266 1.462,1267 0.62,1268 1.463,1269 1.176,1270 1.119,1271 1.43,1272 1.401,1273 0.466,1274 1.413,1275 0.886,1276 0.821,1277 1.212,1278 1.177,1279 0.396,1280 1.182,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.078,1289 5.313,1291 6.732,1293 8.227,1295 9.756,1301 6.068,1303 1.351,1306 11.396,1308 -0.204,1314 31.762,1315 73.289,1316 167.238,1317 221.438,1318 253.438,1319 258.193,1320 258.193,1321 39.632,1322 6.955,1323 70.26,1324 70.26,1325 18,1326 11.882,1327 4.322,1328 3.459,1329 47.367,1330 131,1331 120,1332 0.168,1333 198.723,1334 343.56,1335 476.645,1336 11230,1338 18.736,1339 0.694,1340 0.558,1341 18.736,1342 15.07,1343 13.293,1344 0.458,1345 0.304,1346 8.708,1347 12.844,1348 8.509,1349 7.11,1350 13.293,1351 8.826,1352 11.098,1353 0.308,1354 0.171,1355 11.098,1356 6.14,1357 8.701,1358 0.207,1359 0.091,1360 8.701,1361 3.816,1362 6.769,1363 0.138,1364 0.05,1365 6.769,1366 2.426,1367 5.375,1368 0.093,1369 0.027,1370 5.375,1371 1.571,1372 0.278,1373 82.954,1374 0.223,1375 27.123,1376 0.424,1377 130,1378 374.074,1379 140.224,1380 362.123,1381 490.5,1382 342,1383 143,1384 345.95,1385 153.973,1386 355.807,1387 505.71,1388 332,1389 5.1}
{0 CHEMBL1993941,1 1.69,2 15.143,3 4.791,4 22.957,5 138.978,6 8.39,7 0.692,8 4.177,9 4.295,10 3.877,11 3.782,12 5.361,13 3.754,14 4.661,15 4.812,16 4.247,17 4.175,18 5.848,19 4.125,20 4.89,21 5.084,22 4.286,23 4.278,24 6.007,25 4.207,26 4.93,27 5.127,28 4.371,29 4.298,30 6.095,31 4.215,32 4.934,33 5.133,34 4.253,35 4.25,36 6.089,37 4.157,38 4.806,39 5.004,40 4.115,41 4.132,42 6.044,43 4.05,44 4.751,45 4.964,46 3.995,47 4.095,48 5.813,49 3.995,50 4.766,51 4.982,52 3.972,53 4.087,54 5.818,55 3.968,56 0.095,57 0.97,58 10.125,59 4.988,60 11.87,61 5.843,62 0.271,63 1.533,64 19.575,65 8.7,66 27.383,67 10.452,68 0.365,69 1.848,70 27.32,71 10.828,72 48.868,73 12.938,74 0.365,75 1.925,76 31.159,77 11.743,78 43.742,79 14.348,80 0.505,81 1.876,82 36.406,83 12.242,84 63.454,85 13.827,86 0.474,87 1.618,88 26.819,89 10.252,90 77.863,91 12.653,92 0.342,93 1.546,94 26.05,95 9.809,96 43.907,97 12.294,98 0.254,99 1.546,100 27.412,101 10.918,102 32.027,103 13.666,104 19,105 55,106 0.27,107 0.637,108 0.8,109 0.866,110 0.879,111 0.884,112 3.588,113 0.925,114 -5.2,115 -5.09,116 -4.77,119 44.8,120 1,121 1,125 1,142 8,143 5,144 3,145 2,147 1,151 2,152 1,159 1,163 1,164 1,165 1,166 1,172 10,175 5,177 1,178 3,179 1,180 5,183 14,185 1,188 6,193 4,196 11,198 1,200 7,205 9,208 7,210 3,212 2,213 9,218 7,221 7,223 3,225 6,230 5,233 9,235 2,238 4,240 2,241 2,243 2,246 10,250 6,253 1,254 1,255 2,257 1,258 9,264 5,269 3,272 7,274 1,276 2401,277 23.903,278 23.903,279 23.903,280 23.903,281 23.903,282 20.586,283 21.256,284 14.111,285 24.393,286 19.251,287 19.251,288 19.251,289 19.251,290 19.251,291 14.221,292 25.279,293 6.654,294 20.075,295 4.168,296 1.874,297 0.854,298 0.44,299 0.358,300 0.323,301 4.294,306 1,307 1159,308 3.536,311 173.227,312 341.994,315 153.48,319 2.498,320 32.786,323 1,324 0.83,325 1,326 0.6,328 1,329 1,330 0.78,331 75.5,332 530,333 4.748,334 3.563,335 7.013,336 4.283,337 3.316,338 4.726,339 1.656,340 11.98,341 3.207,342 4.25,343 3.328,344 6.353,345 3.865,346 2.881,347 3.889,348 0.247,349 9.667,350 2.836,351 4.089,352 2.947,353 5.785,354 3.699,355 2.736,356 3.67,358 7.932,359 2.627,360 4.015,361 2.9,362 5.617,363 3.577,364 2.61,365 3.629,367 7.733,368 2.52,369 3.769,370 2.653,371 5.416,372 3.388,373 2.426,374 3.168,376 7.139,377 2.324,378 3.59,379 2.43,380 5.359,381 3.195,382 2.235,383 2.937,385 6.765,386 2.141,387 3.465,388 2.307,389 4.942,390 3.042,391 2.09,392 2.773,394 5.71,395 1.984,396 3.267,397 2.259,398 4.899,399 2.784,400 1.873,401 2.549,403 5.353,404 1.696,405 3.138,406 1.915,407 4.55,408 2.687,409 1.717,410 2.327,412 4.675,413 1.632,414 2.863,415 1.508,416 4.424,417 2.435,418 1.459,419 1.999,421 4.095,422 1.42,423 2.658,424 1.275,425 4.017,426 2.172,427 1.183,428 1.73,430 2.946,431 1.166,432 2.557,433 1.118,434 3.604,435 2.05,436 1.086,437 1.582,439 2.586,440 1.039,441 2.5,442 1,443 3.479,444 2,445 1,446 1.5,448 2.275,449 1,450 2.303,451 1,452 3.414,453 1.957,454 1,455 1.235,457 2.154,458 0.95,459 2.156,460 0.819,461 3.284,462 1.65,463 0.774,464 1.02,466 1.74,467 0.665,468 16.852,469 0.481,470 0.832,471 0.024,472 49.5,473 1.414,474 27,475 0.771,476 22.5,477 0.643,478 28.106,479 0.803,480 35.948,481 0.62,482 39.198,483 1.12,484 9.6,485 0.274,486 7.413,487 0.212,488 0.09,490 0.35,494 1,496 0.703,497 0.985,498 0.71,499 0.832,500 0.624,501 0.804,502 0.61,503 0.981,504 0.823,505 0.931,506 0.506,507 0.892,508 1.087,509 0.972,510 0.909,511 0.851,512 0.979,513 0.903,514 0.809,515 1.046,516 0.941,517 1.051,518 0.729,519 0.967,520 1.168,521 0.982,522 1.387,523 1.201,524 1.165,525 1.042,526 0.76,527 0.981,528 0.98,529 1.038,530 0.76,531 1.042,532 0.775,533 0.885,534 1.047,535 1.021,536 0.748,537 1.051,538 0.615,539 1.007,540 1.071,541 1.187,542 0.54,543 1.147,544 7,545 0.137,546 3.556,547 2.5,548 1.989,549 1.359,550 0.737,551 0.508,552 0.364,553 0.348,554 20295,555 58315,556 2.123,557 39.7,558 3,559 10,560 2,561 2,562 4,564 2,567 1.763,568 2,569 3.847,570 1.52,577 98,578 1.69,579 3.984,580 5.004,581 5.418,582 5.5,583 5.535,584 3.4,585 4.958,586 5.094,587 4.038,588 2402.86,589 8.927,590 38679.2,595 339.763,596 1.366,597 5.067,598 0.179,599 0.005,600 0.065,601 0.045,602 0.036,603 0.027,604 0.016,605 0.012,606 0.009,607 0.01,608 0.405,610 0.75,611 0.797,612 192.079,613 -0.043,614 0.036,615 0.042,616 0.081,617 -0.08,618 0.063,619 0.115,620 0.015,621 0.043,622 0.031,623 0.1,624 0.024,625 -0.157,626 0.03,628 0.099,629 -0.102,630 0.042,631 0.029,632 -0.088,633 0.107,634 -0.016,635 0.057,636 0.011,637 -0.143,638 -0.01,639 -0.175,640 -0.086,641 -0.116,642 -0.065,643 0.118,644 -0.076,645 -0.04,646 -0.073,647 0.159,648 -0.076,649 -0.05,650 0.033,651 -0.102,652 -0.048,653 -0.081,654 -0.068,655 0.051,656 -0.124,657 -0.063,658 -0.158,659 0.057,660 -0.121,661 2.119,662 5.328,663 0.743,664 46.766,665 1.008,666 1.124,667 3.974,668 15.789,669 0.706,670 3.689,671 4.025,672 4.317,673 4.635,674 4.836,675 4.977,676 5.13,677 5.318,678 5.425,679 5.529,680 8.599,681 0.675,682 486.62,683 3.689,684 5.242,685 6.103,686 6.995,687 7.874,688 8.774,689 9.664,690 10.569,691 11.466,692 12.375,693 10.3,697 1,700 2,701 1,703 2,708 2,709 12,710 2,713 1,714 8,715 1,716 27,727 1,734 1,735 58,737 28,738 2,739 39,741 62,742 26,743 22,744 4,745 8,748 5,749 6,753 1,754 1,760 1,762 23,763 3,767 1,772 1,776 1,781 1,783 23,784 7,785 4,786 9,787 1,792 6,797 0.8,798 1,807 1,809 1,815 2,816 3,819 1,843 4,845 1,847 1,849 1,851 35,852 1,858 2,860 2,869 1,873 1,874 1.7,877 1,881 17.5,882 10.66,883 7.667,884 3.467,886 5.074,887 1.593,888 1.04,889 6.688,890 13.63,891 3.998,892 4.649,893 5.283,894 5.951,895 6.475,896 6.884,897 7.37,898 7.886,899 8.268,900 8.673,901 1,902 55,903 12.915,905 5.57,906 7.819,907 24.443,909 20.174,911 2.319,912 81.167,916 223.651,917 192.644,918 104.144,920 25.145,921 14.96,922 31.278,923 161.366,924 248.796,925 119.104,926 8.825,927 40.662,928 125.404,929 82.136,930 49.821,931 45.852,932 207.844,934 223.651,935 265.51,936 40.105,937 31.278,939 215.069,940 48.687,943 69.358,944 162.703,945 33.449,946 31.278,947 238.611,948 129.289,949 192.644,952 223.651,953 73.217,954 121.203,955 36.022,956 106.451,957 223.651,958 144.249,959 192.644,961 0.58,962 0.338,963 0.193,964 0.102,965 27,966 12,967 0.097,968 6,969 1,970 1.077,971 4.642,972 334.013,973 0.077,974 26,975 175.525,977 1,981 23.307,982 10.044,983 5.006,984 1.959,985 142.472,986 20.961,987 8.9,990 1.617,991 4.987,992 1.933,993 68.919,994 560.544,995 53.5,1000 12.267,1004 -0.453,1007 58.48,1008 65.196,1009 0.288,1010 0.68,1011 0.854,1012 0.925,1013 0.939,1014 0.945,1015 5.23,1016 1.873,1017 6.089,1018 5.71,1019 4.71,1020 5.338,1021 1.758,1022 6.915,1023 4.629,1024 6.455,1025 1.717,1026 7.651,1027 5.353,1028 4.29,1029 5.165,1030 1.195,1031 7.835,1032 4.186,1033 7.773,1034 1.459,1035 9.312,1036 4.675,1037 6.312,1038 7.6,1039 2.415,1040 10.969,1041 6.167,1042 9.128,1043 1.183,1044 11.034,1045 4.095,1046 6.723,1047 8.287,1048 2.324,1049 12.774,1050 6.553,1051 10.516,1052 1.086,1053 12.797,1054 2.946,1055 8.203,1056 10.172,1057 3.244,1058 15.44,1059 8.001,1060 11.928,1061 1,1062 14.59,1063 2.586,1064 9.004,1065 11.282,1066 3.407,1067 17.63,1068 8.775,1069 13.36,1070 1,1071 16.408,1072 2.275,1073 10.275,1074 12.946,1075 4.156,1076 20.154,1077 10.017,1078 3.316,1079 0.774,1080 18.245,1081 2.154,1082 11.267,1083 14.273,1084 4.464,1085 22.51,1086 10.979,1087 2.881,1088 11.98,1089 20.098,1090 1.74,1091 12.461,1092 15.85,1093 5.111,1094 24.993,1095 12.143,1096 2.736,1097 9.667,1098 21.964,1099 4.726,1100 13.546,1101 17.287,1102 5.504,1103 27.418,1104 13.197,1105 2.61,1106 7.932,1107 23.843,1108 3.889,1109 14.717,1110 18.834,1111 6.091,1112 29.893,1113 14.337,1114 2.426,1115 7.733,1116 25.731,1117 3.67,1118 15.85,1119 20.326,1120 6.531,1121 32.347,1122 15.436,1123 2.235,1124 7.139,1125 27.627,1126 3.629,1127 17.019,1128 21.866,1129 7.083,1130 34.822,1131 16.573,1132 2.09,1133 6.765,1134 29.531,1135 3.168,1136 18.176,1137 23.386,1138 7.551,1139 37.29,1140 17.696,1141 18999,1142 32415,1143 26.353,1144 40.926,1145 58.945,1146 59.454,1147 60.467,1148 58.237,1149 58.251,1150 79.555,1151 3.806,1152 168.895,1153 55.75,1154 5.614,1155 5.563,1156 6.784,1157 5.396,1158 5.316,1159 7.726,1160 2.912,1161 19.548,1162 5.207,1163 16.5,1164 1.511,1165 1.524,1166 1.55,1167 1.493,1168 1.494,1169 2.04,1170 0.098,1171 4.331,1172 1.429,1173 4.141,1174 4.16,1175 4.346,1176 4.137,1177 8.201,1178 4.099,1179 3.932,1180 3.976,1181 3.884,1182 3.833,1183 7.431,1184 3.836,1185 3.905,1186 3.945,1187 3.875,1188 3.803,1189 5.191,1190 3.807,1191 3.805,1192 3.845,1193 3.795,1194 3.682,1195 4.935,1196 3.684,1197 3.498,1198 3.569,1199 3.449,1200 3.368,1201 4.773,1202 3.345,1203 3.421,1204 3.47,1205 3.377,1206 3.174,1207 4.662,1208 3.205,1209 3.259,1210 3.307,1211 3.293,1212 3.097,1213 4.563,1214 3.097,1215 3.039,1216 3.13,1217 2.987,1218 2.869,1219 4.243,1220 2.852,1221 0.122,1222 0.091,1223 0.18,1224 0.11,1225 0.085,1226 4.748,1227 0.121,1228 3.563,1229 0.042,1230 7.013,1231 0.307,1232 4.283,1233 0.082,1234 3.316,1235 4.726,1236 1.656,1237 11.98,1238 3.207,1239 1.966,1240 1.947,1241 2.037,1242 2.047,1243 1.199,1244 2.044,1245 1.88,1246 1.853,1247 1.979,1248 1.993,1249 1.172,1250 1.988,1251 1.844,1252 1.825,1253 1.939,1254 1.935,1255 1.057,1256 1.939,1257 1.67,1258 1.595,1259 1.882,1260 1.895,1261 1.042,1262 1.9,1263 1.46,1264 1.436,1265 1.559,1266 1.61,1267 0.701,1268 1.593,1269 1.295,1270 1.262,1271 1.464,1272 1.534,1273 0.59,1274 1.527,1275 1.21,1276 1.17,1277 1.397,1278 1.512,1279 0.466,1280 1.493,1281 1.191,1282 1.103,1283 1.278,1284 1.308,1285 0.308,1286 1.35,1287 4.369,1289 5.7,1290 3.045,1291 7.217,1292 5.352,1293 8.825,1294 7.434,1295 10.484,1297 2.119,1299 13.328,1301 6.301,1303 1.874,1305 5.374,1314 39.155,1315 98,1316 231.092,1317 290.253,1318 314.253,1319 319.008,1320 321.008,1321 60.687,1322 8.556,1323 97.86,1324 126.1,1325 28,1326 12.894,1327 4.858,1328 3.954,1329 52.523,1330 179,1331 187,1332 0.141,1333 242.239,1334 407.11,1335 582.824,1336 73385,1337 1.7,1338 24.363,1339 0.696,1340 0.565,1341 23.847,1342 19.772,1343 17.012,1344 0.436,1345 0.308,1346 11.078,1347 15.972,1348 10.761,1349 8.951,1350 17.073,1351 12.02,1352 15.424,1353 0.28,1354 0.163,1355 15.315,1356 8.949,1357 12.882,1358 0.174,1359 0.089,1360 13.266,1361 6.571,1362 11.461,1363 0.112,1364 0.05,1365 12.079,1366 5.052,1367 8.823,1368 0.071,1369 0.026,1370 9.56,1371 3.308,1372 0.228,1373 110.685,1374 0.195,1375 32.716,1376 0.371,1377 188,1378 579.62,1379 227.207,1380 567.463,1381 778.08,1382 530,1383 223,1384 567.649,1385 260.387,1386 586.254,1387 856.88,1388 552,1389 7}
{0 CHEMBL1994040,1 1.665,2 10.303,3 4.458,4 19.874,5 120.926,6 7.904,7 0.595,8 4.165,9 4.286,10 3.778,11 3.689,12 5.317,13 3.69,14 4.688,15 4.865,16 4.155,17 4.055,18 5.862,19 4.044,20 4.943,21 5.146,22 4.214,23 4.169,24 6.133,25 4.142,26 5.007,27 5.263,28 4.253,29 4.169,30 6.207,31 4.143,32 4.878,33 5.069,34 4.301,35 4.212,36 6.059,37 4.198,38 4.974,39 5.171,40 4.335,41 4.288,42 6.202,43 4.266,44 5.018,45 5.218,46 4.258,47 4.282,48 6.209,49 4.228,50 5.022,51 5.257,52 4.136,53 4.178,54 6.187,55 4.105,56 0.103,57 1.037,58 10.572,59 4.99,60 16.134,61 6.198,62 0.299,63 1.621,64 20.592,65 8.284,66 34.482,67 10.73,68 0.668,69 1.957,70 29.855,71 10.222,72 82.939,73 12.976,74 0.885,75 2.112,76 34.938,77 9.95,78 114.306,79 14.296,80 0.542,81 1.939,82 25.786,83 9.004,84 48.32,85 12.222,86 0.635,87 2.144,88 28.603,89 9.65,90 60.2,91 12.895,92 0.54,93 2.226,94 30.779,95 11.877,96 61.266,97 15.351,98 0.779,99 2.094,100 33.905,101 11.773,102 90.838,103 15.761,104 29,105 55,106 0.27,107 0.643,108 0.822,109 0.856,110 0.856,111 0.856,112 3.533,113 0.883,114 -4.71,115 -4.62,116 -4.34,119 42.1,120 2,121 3,122 1,125 1,130 1,142 4,143 1,144 2,145 2,146 3,150 1,151 1,152 1,161 1,172 6,174 2,175 4,178 2,180 2,183 6,187 3,188 6,192 1,193 2,196 1,199 1,200 9,205 1,208 1,212 1,213 12,216 3,221 2,224 2,225 6,228 1,230 1,233 5,238 4,243 2,246 8,249 1,250 7,253 2,255 3,258 6,264 3,267 1,269 2,272 6,276 2111,277 21.911,278 21.911,279 21.911,280 21.911,281 21.911,282 19.335,283 16.265,284 12.584,285 22.465,286 18.308,287 18.308,288 18.308,289 18.308,290 18.308,291 14.382,292 17.95,293 6.031,294 19.305,295 4.168,296 1.864,297 0.763,298 0.553,299 0.553,300 0.553,301 4.228,305 1,306 1,307 742,308 3.808,309 52.91,311 67.127,312 273.849,315 131.442,319 1.543,320 46.203,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 73,332 340,333 4.779,334 3.419,335 7.09,336 4.322,337 3.371,338 4.731,339 0.4,340 12.317,341 3.207,342 4.27,343 3.35,344 6.398,345 4.055,346 3.104,347 3.947,349 9.963,350 2.942,351 4.146,352 3.15,353 6.393,354 3.859,355 2.893,356 3.731,358 9.743,359 2.799,360 4.071,361 2.895,362 6.101,363 3.724,364 2.759,365 3.25,367 8.828,368 2.66,369 3.8,370 2.705,371 5.555,372 3.55,373 2.591,374 3.086,376 7.528,377 2.479,378 3.6,379 2.633,380 5.398,381 3.284,382 2.345,383 2.862,385 6.984,386 2.187,387 3.478,388 2.417,389 5.18,390 3.073,391 2.14,392 2.639,394 6.236,395 1.981,396 3.172,397 2.047,398 4.98,399 2.747,400 1.805,401 2.391,403 5.506,404 1.695,405 3.115,406 1.9,407 4.748,408 2.617,409 1.697,410 2.378,412 4.818,413 1.545,414 2.889,415 1.491,416 4.26,417 2.376,418 1.435,419 2.056,421 3.645,422 1.343,423 2.71,424 1.33,425 4.039,426 2.215,427 1.263,428 1.803,430 3.195,431 1.199,432 2.585,433 1.148,434 3.607,435 2.055,436 1.1,437 1.626,439 2.653,440 1.045,441 2.217,442 0.906,443 3.477,444 1.753,445 0.813,446 1.108,448 2.178,449 0.762,450 1.762,451 0.868,452 3.319,453 1.554,454 0.634,455 0.698,457 1.519,458 0.582,459 1.476,460 0.428,461 3.113,462 1.232,463 0.265,464 0.308,466 0.693,467 0.255,468 15.305,469 0.464,470 1.062,471 0.032,472 43,473 1.303,474 20.5,475 0.621,476 22.5,477 0.682,478 30.543,479 0.926,480 35.695,481 0.626,482 35.199,483 1.067,484 7.998,485 0.242,486 7.784,487 0.236,488 0.124,489 0.033,490 0.353,494 2,496 0.693,497 1.176,498 0.711,499 1.077,500 0.631,501 0.937,502 0.677,503 1.059,504 0.727,505 1.05,506 0.564,507 0.932,508 1.142,509 1.082,510 1.012,511 0.985,512 1.13,513 0.978,514 0.82,515 0.806,516 0.733,517 0.636,518 0.646,519 0.633,520 0.711,521 0.988,522 0.826,523 0.923,524 0.609,525 0.894,526 0.836,527 0.885,528 0.985,529 0.913,530 0.646,531 0.948,532 0.892,533 1.195,534 1.039,535 1.253,536 0.912,537 1.203,538 0.875,539 1.032,540 1.023,541 1.119,542 0.959,543 1.118,544 8,545 0.323,546 3.611,547 2.444,548 2.229,549 1.449,550 0.899,551 0.786,552 0.55,553 0.434,554 14101,555 39511,556 2.105,557 42.1,558 5,559 6,560 1,561 2,562 2,563 2,564 6,567 1.762,568 1.951,569 3.318,570 0.222,572 1,577 94.887,578 1.665,579 3.969,580 5.07,581 5.28,582 5.28,583 5.28,584 2.717,585 4.574,586 5.009,587 3.536,588 1867.01,589 8.833,590 26959.5,592 1,595 332.475,596 1.6,597 4.962,598 0.216,599 0.012,600 0.069,601 0.046,602 0.04,603 0.024,604 0.015,605 0.015,606 0.012,607 0.011,608 0.459,609 0.17,610 0.88,611 1.024,612 171.463,613 -0.063,614 -0.154,615 0.038,616 -0.032,617 -0.064,618 0.015,619 0.045,620 -0.094,621 0.12,622 -0.056,623 0.08,624 0.023,625 -0.109,626 -0.098,627 -0.067,628 -0.018,629 -0.119,630 -0.038,631 0.071,632 0.125,633 0.263,634 0.285,635 0.141,636 0.325,637 0.037,638 -0.01,639 0.039,640 0.027,641 0.01,642 0.032,643 -0.045,644 0.113,645 -0.11,646 0.02,647 0.015,648 -0.037,649 -0.011,650 -0.161,651 -0.131,652 -0.239,653 -0.029,654 -0.224,655 0.084,656 -0.027,657 -0.045,658 -0.129,659 0.005,660 -0.13,661 2.37,662 6.835,663 0.727,664 33.787,665 1.014,666 1.141,667 3.476,668 12.082,669 0.666,670 3.638,671 4.025,672 4.248,673 4.585,674 4.898,675 5.094,676 5.303,677 5.521,678 5.659,679 5.727,680 6.528,681 0.647,682 450.54,683 3.638,684 5.22,685 6.084,686 7,687 7.89,688 8.813,689 9.717,690 10.644,691 11.559,692 12.489,693 10.5,698 1,701 1,703 4,708 1,709 7,710 4,714 8,716 22,728 1,734 2,735 57,737 22,738 1,739 37,741 61,742 24,743 16,744 3,745 3,748 5,749 6,754 2,757 2,758 1,760 3,762 16,763 8,764 2,780 1,781 2,783 24,784 8,785 2,786 9,789 1,792 6,797 0.8,798 1,801 1,806 1,810 1,813 1,815 1,816 3,819 1,841 1,843 4,847 2,849 2,851 33,857 1,858 4,860 1,863 1,865 1,873 2,874 1.8,875 1,881 16.917,882 10.902,883 6.903,884 3.471,886 4.152,887 1.508,888 0.976,889 5.497,890 12.326,891 3.892,892 4.557,893 5.161,894 5.847,895 6.484,896 6.957,897 7.487,898 8.025,899 8.436,900 8.815,901 0.857,902 53,903 12.319,905 5.517,906 7.927,907 23.126,909 19.669,911 2.427,912 80.083,915 1,916 258.964,917 128.476,918 86.439,920 42.683,921 29.92,923 128.476,924 301.648,925 116.36,926 17.65,927 9.709,928 89.636,929 110.41,930 49.079,931 46.347,932 223.651,934 258.964,935 214.915,936 72.604,939 218.258,940 70.627,941 42.683,943 58.626,944 71.137,945 85.153,947 288.884,948 129.123,949 128.476,952 258.964,953 45.778,954 83.984,955 18.011,956 139.746,957 258.964,958 159.043,959 128.476,961 0.598,962 0.313,963 0.172,964 0.103,965 29,966 13,967 0.115,968 7,969 1,970 1.083,971 4.255,972 328.893,973 0.083,974 24,975 162.465,981 21.727,982 8.349,983 4.814,984 0.628,985 157.756,986 10.226,987 18.116,991 1.402,993 60.694,994 546.483,995 48,1007 57.8,1008 65.031,1009 0.285,1010 0.68,1011 0.869,1012 0.905,1013 0.905,1014 0.905,1015 5.168,1016 1.805,1017 6.12,1018 6.236,1019 4.71,1020 5.244,1021 0.278,1022 6.993,1023 4.606,1024 6.422,1025 1.697,1026 7.72,1027 5.506,1028 4.575,1029 5.223,1031 8.15,1032 4.419,1033 7.765,1034 1.435,1035 9.422,1036 4.818,1037 6.415,1038 7.52,1039 0.05,1040 11.177,1041 6.22,1042 9.14,1043 1.263,1044 11.183,1045 3.645,1046 7.013,1047 8.276,1049 13.1,1050 6.767,1051 10.544,1052 1.1,1053 12.981,1054 3.195,1055 8.414,1056 10.116,1057 0.008,1058 15.734,1059 8.129,1060 11.969,1061 0.813,1062 14.804,1063 2.653,1064 9.325,1065 11.263,1067 17.972,1068 8.988,1069 13.412,1070 0.634,1071 16.645,1072 2.178,1073 10.57,1074 12.916,1075 0.001,1076 20.491,1077 10.191,1078 3.371,1079 0.265,1080 18.502,1081 1.519,1082 11.623,1083 14.264,1085 22.869,1086 11.191,1087 3.104,1088 12.317,1089 20.371,1090 0.693,1091 12.814,1092 15.841,1094 25.358,1095 12.337,1096 2.893,1097 9.963,1098 22.251,1099 4.731,1100 13.933,1101 17.29,1103 27.799,1104 13.404,1105 2.759,1106 9.743,1107 24.139,1108 3.947,1109 15.109,1110 18.839,1112 30.286,1113 14.532,1114 2.591,1115 8.828,1116 26.034,1117 3.731,1118 16.262,1119 20.338,1121 32.759,1122 15.632,1123 2.345,1124 7.528,1125 27.936,1126 3.25,1127 17.438,1128 21.881,1130 35.251,1131 16.759,1132 2.14,1133 6.984,1134 29.844,1135 3.086,1136 18.608,1137 23.404,1139 37.739,1140 17.877,1141 13371,1142 22584,1143 24.561,1144 37.978,1145 57.224,1146 57.436,1147 58.126,1148 56.532,1149 56.432,1150 73.225,1151 0.8,1152 171.612,1153 53.36,1154 5.69,1155 5.419,1156 6.639,1157 5.396,1158 5.371,1159 7.731,1160 0.8,1161 19.943,1162 5.207,1163 17.363,1164 1.547,1165 1.552,1166 1.571,1167 1.528,1168 1.525,1169 1.979,1170 0.022,1171 4.638,1172 1.442,1173 4.172,1174 4.217,1175 4.153,1176 4.029,1177 8.211,1178 4.053,1179 3.905,1180 3.949,1181 3.843,1182 3.817,1183 8.191,1184 3.812,1185 3.851,1186 3.891,1187 3.79,1188 3.732,1189 6.449,1190 3.739,1191 3.804,1192 3.862,1193 3.715,1194 3.622,1195 5.117,1196 3.642,1197 3.668,1198 3.72,1199 3.553,1200 3.514,1201 4.937,1202 3.516,1203 3.281,1204 3.338,1205 3.232,1206 3.119,1207 4.556,1208 3.139,1209 3.096,1210 3.192,1211 2.956,1212 2.913,1213 4.337,1214 2.907,1215 3.04,1216 3.115,1217 2.891,1218 2.845,1219 4.248,1220 2.849,1221 0.129,1222 0.092,1223 0.192,1224 0.117,1225 0.091,1226 4.779,1227 0.128,1228 3.419,1229 0.011,1230 7.09,1231 0.333,1232 4.322,1233 0.087,1234 3.371,1235 4.731,1236 0.4,1237 12.317,1238 3.207,1239 1.924,1240 1.896,1241 1.988,1242 2.085,1243 1.187,1244 2.056,1245 1.87,1246 1.831,1247 1.948,1248 1.997,1249 1.149,1250 1.983,1251 1.754,1252 1.703,1253 1.935,1254 1.95,1255 1.093,1256 1.942,1257 1.658,1258 1.61,1259 1.805,1260 1.837,1261 0.924,1262 1.836,1263 1.393,1264 1.336,1265 1.611,1266 1.571,1267 0.825,1268 1.589,1269 1.222,1270 1.176,1271 1.513,1272 1.411,1273 0.743,1274 1.429,1275 1.153,1276 1.064,1277 1.417,1278 1.376,1279 0.542,1280 1.411,1281 1.059,1282 0.964,1283 1.413,1284 1.328,1285 0.469,1286 1.33,1287 4.317,1288 1.946,1289 5.687,1290 3.932,1291 7.236,1292 5.861,1293 8.869,1294 7.784,1295 10.549,1297 3.357,1299 28.449,1302 10.015,1303 3.378,1305 3.021,1308 0.589,1310 -0.95,1314 36.878,1315 94.887,1316 226.22,1317 288.965,1318 300.965,1319 300.965,1320 300.965,1321 72.463,1322 8.174,1323 88.23,1324 88.23,1325 26,1326 12.994,1327 4.524,1328 3.585,1329 47.344,1330 121,1331 139,1332 0.183,1333 221.904,1334 378.89,1335 533.206,1336 38696,1337 3.5,1338 23.165,1339 0.702,1340 0.557,1341 21.424,1342 18.386,1343 15.782,1344 0.427,1345 0.294,1346 10.722,1347 15.071,1348 10.457,1349 8.635,1350 14.977,1351 10.894,1352 15.626,1353 0.284,1354 0.165,1355 14.465,1356 9.08,1357 11.563,1358 0.168,1359 0.076,1360 10.771,1361 5.269,1362 10.05,1363 0.104,1364 0.037,1365 9.334,1366 3.636,1367 8.64,1368 0.065,1369 0.019,1370 8.269,1371 2.592,1372 0.278,1373 99.639,1374 0.202,1375 30.023,1376 0.531,1377 184,1378 618.93,1379 206.669,1380 551.36,1381 747.47,1382 514,1383 219,1384 555.824,1385 241.246,1386 550.324,1387 812.03,1388 518,1389 5.1}
{0 CHEMBL1994074,1 1.498,2 6.313,3 4.169,4 17.381,5 68.46,6 10.926,7 0.889,8 3.349,9 3.45,10 3.263,11 3.075,12 4.49,13 3.029,14 3.793,15 3.911,16 3.685,17 3.463,18 4.893,19 3.395,20 3.987,21 4.16,22 3.678,23 3.512,24 5.008,25 3.398,26 3.921,27 4.128,28 3.558,29 3.342,30 4.929,31 3.231,32 3.724,33 3.924,34 3.647,35 3.179,36 4.763,37 3.07,38 3.569,39 3.772,40 3.246,41 3.051,42 4.519,43 2.877,44 3.372,45 3.607,46 3.032,47 2.786,48 4.224,49 2.53,50 2.85,51 3.126,52 2.342,53 2.15,54 3.574,55 1.829,56 0.036,57 0.326,58 1.553,59 1.772,60 4.044,61 2.241,62 0.012,63 0.498,64 2.794,65 3.045,66 4.745,67 3.79,68 0.049,69 0.61,70 16.057,71 4.911,72 9.763,73 5.803,74 0.087,75 0.625,76 12.652,77 4.346,78 11.987,79 4.899,80 0.12,81 0.493,82 9.131,83 3.426,84 11.167,85 3.877,86 0.052,87 0.395,88 10.422,89 3.462,90 8.308,91 4.099,92 0.05,93 0.302,94 15.898,95 3.623,96 8.173,97 4.201,98 0.04,99 0.171,100 14.621,101 2.58,102 5.903,103 2.924,104 2,105 25,106 0.292,107 0.531,108 0.666,109 0.821,110 0.843,111 0.843,112 2.855,113 0.971,114 -5.14,115 -5.04,116 -4.71,117 1,119 52,142 8,143 2,144 1,146 1,152 1,168 1,172 8,175 2,180 2,183 11,188 4,193 3,196 10,200 3,205 2,208 5,213 2,218 3,221 7,230 1,233 7,246 5,258 2,276 242,277 11.069,278 11.069,279 11.069,280 11.069,281 11.069,282 9.199,283 1.644,284 6.624,285 11.3,286 8.909,287 8.909,288 8.909,289 8.909,290 8.909,291 6.186,292 0.676,293 3.166,294 9.336,295 3.145,296 1.92,297 1.23,298 0.43,299 0.32,300 0.32,301 3.533,305 1,306 1,307 221,308 1.581,311 27.787,312 76.123,315 52.447,319 0.977,320 5.88,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 32.75,332 101,333 4.607,334 3.2,335 6.716,336 4.145,337 3.166,338 4.552,340 10.933,341 3.099,342 3.945,343 2.788,344 5.754,345 3.501,346 2.529,347 3.531,349 7.785,350 2.461,351 3.554,352 2.394,353 4.962,354 3.017,355 2.141,356 2.981,358 5.833,359 1.795,360 3.217,361 1.745,362 4.632,363 2.718,364 1.739,365 2.554,367 4.646,368 1.663,369 2.817,370 1.345,371 4.026,372 2.329,373 1.336,374 1.966,376 3.326,377 1.323,378 2.563,379 1.112,380 3.499,381 2.037,382 1.073,383 1.594,385 2.587,386 1.016,387 2.5,388 1,389 3.247,390 2,391 1,392 1.5,394 2.136,395 1,396 2.052,397 0.677,398 3.202,399 1.54,400 0.58,401 0.845,403 1.421,404 0.536,405 1.037,406 0.137,407 2.378,408 0.548,409 -0.315,410 -0.403,412 -0.737,413 -0.186,414 0.718,415 -0.651,416 2.356,417 0.24,418 -0.718,419 -0.981,421 -1.694,422 -0.646,423 0.573,424 -0.874,425 2,426 0.052,427 -0.909,428 -1.342,430 -2.347,431 -0.856,432 0.5,433 -1,434 1.822,436 -1,437 -1.5,439 -2.704,440 -1,441 0.057,442 -1.08,443 1.555,444 -0.468,445 -1.274,446 -1.723,448 -3.098,449 -1.04,450 -0.077,451 -1.492,452 1.122,453 -0.645,454 -1.511,455 -2.131,457 -4.578,458 -1.439,459 -0.42,460 -1.875,461 1.031,462 -0.924,463 -1.889,464 -2.6,466 -4.789,467 -1.814,468 8.633,469 0.54,470 0.329,471 0.021,472 23.5,473 1.469,474 14,475 0.875,476 9.5,477 0.594,478 10.085,479 0.63,480 14.767,481 0.591,482 12.128,483 0.758,484 4.525,485 0.283,486 3.318,487 0.207,488 0.154,490 0.29,496 0.622,497 0.751,498 0.451,499 0.581,500 0.771,501 0.66,502 0.799,503 1.128,504 0.564,505 0.785,506 0.857,507 0.865,508 0.949,509 1.172,510 0.978,511 1.066,512 0.851,513 1.045,514 1.399,515 1.104,516 0.8,517 0.873,518 1.282,519 0.937,520 1.06,521 0.979,522 0.837,523 0.902,524 1.038,525 0.898,526 1.032,527 0.914,528 1.08,529 1.063,530 1.042,531 1.138,532 0.965,533 0.889,534 1.715,535 1.392,536 1.064,537 1.299,538 1.005,539 0.808,540 2.226,541 1.608,542 1.086,543 1.311,544 2.5,546 1.778,547 0.944,548 0.689,549 0.344,550 0.161,551 0.071,552 0.02,554 1967,555 5826,556 2.174,557 36,559 8,562 1,567 1.554,568 2.087,569 2.734,570 -0.291,577 37.461,578 1.498,579 2.724,580 3.414,581 4.214,582 4.324,583 4.324,584 2.18,585 3.453,586 3.975,587 2.778,588 333.356,589 6.705,590 2795.9,592 1,594 1,595 116.096,596 1.198,597 3.954,598 0.139,600 0.071,601 0.041,602 0.036,603 0.022,604 0.015,605 0.012,606 0.01,608 0.346,609 0.83,610 1,611 0.5,612 62.976,613 0.141,614 0.232,615 -0.001,616 0.068,617 -0.069,618 0.054,619 -0.046,620 -0.182,621 -0.002,622 -0.071,623 -0.104,624 -0.098,625 -0.052,626 -0.233,627 -0.079,628 -0.151,629 0.045,630 -0.122,631 -0.206,632 -0.031,633 -0.025,634 0.018,635 -0.142,636 -0.015,637 0.145,638 0.078,639 0.078,640 0.034,641 0.067,642 0.037,643 -0.16,644 0.003,645 -0.049,646 -0.046,647 -0.136,648 -0.124,649 -0.077,650 -0.06,651 -0.122,652 -0.105,653 -0.075,654 -0.11,655 -0.006,656 -0.008,657 -0.201,658 -0.084,659 0.058,660 0.051,661 0.67,662 1.361,663 0.938,664 8.016,665 0.999,666 1.1,667 3.911,668 15.294,669 0.776,670 2.944,671 3.258,672 3.555,673 3.85,674 4.06,675 4.06,676 4.111,677 4.159,678 3.989,679 3.85,680 3.923,681 0.727,682 273.14,683 2.944,684 4.466,685 5.323,686 6.205,687 7.084,688 7.974,689 8.862,690 9.756,691 10.647,692 11.542,693 8,701 1,703 1,708 2,709 8,710 1,711 1,714 3,716 16,734 1,735 25,737 16,738 2,739 18,740 1,741 27,742 13,743 13,744 4,745 8,748 3,749 4,762 13,780 1,783 9,784 1,785 1,786 3,787 1,792 2,797 0.667,807 1,815 1,816 2,819 1,843 2,846 1,851 16,873 1,881 7.667,882 4.51,883 3.5,884 1.441,886 3.153,887 1.499,888 1.066,889 2.351,890 9.478,891 3.296,892 3.966,893 4.638,894 5.307,895 5.868,896 6.186,897 6.616,898 7.036,899 7.163,900 7.419,901 1,902 23,903 5.858,905 2.468,906 7.536,907 11.343,909 9.356,911 2.036,912 32.583,913 0.004,916 94.169,917 89.525,918 79.28,923 135.479,924 94.169,925 33.326,928 75.81,929 16.663,930 28.233,931 2.144,932 94.169,933 45.954,934 94.169,935 122.851,938 45.954,939 94.169,943 19.42,944 86.768,945 16.663,946 45.954,947 94.169,948 33.326,949 135.479,952 94.169,953 13.715,954 75.81,955 62.617,956 16.663,957 94.169,958 33.326,959 135.479,961 0.577,962 0.339,963 0.194,964 0.11,965 14,966 5,967 0.037,968 1,969 1,970 1.133,971 2.895,972 113.401,973 0.133,974 15,975 60,981 9.761,982 3.853,983 1.72,984 2.197,985 16.663,986 16.304,987 4.361,988 3.043,991 3.197,993 16.663,994 262.973,995 26,1007 24.967,1008 27.499,1009 0.323,1010 0.587,1011 0.735,1012 0.907,1013 0.931,1014 0.931,1015 4.489,1016 0.58,1017 5.293,1018 2.136,1019 3.932,1020 4.649,1022 6.107,1023 3.85,1024 5.714,1025 -0.315,1026 6.845,1027 1.421,1028 3.434,1029 4.407,1031 7.018,1032 3.243,1033 7.026,1034 -0.718,1035 8.502,1036 -0.737,1037 5.509,1038 6.953,1040 10.158,1041 5.378,1042 8.382,1043 -0.909,1044 10.226,1045 -1.694,1046 5.889,1047 7.618,1049 11.967,1050 5.692,1051 9.773,1052 -1,1053 11.994,1054 -2.347,1055 7.407,1056 9.571,1058 14.611,1059 7.241,1060 11.192,1061 -1.274,1062 13.792,1063 -2.704,1064 8.2,1065 10.678,1067 16.77,1068 7.996,1069 12.631,1070 -1.511,1071 15.614,1072 -3.098,1073 9.489,1074 12.376,1076 19.25,1077 9.293,1078 3.166,1079 -1.889,1080 17.452,1081 -4.578,1082 10.477,1083 13.7,1085 21.548,1086 10.253,1087 2.529,1088 10.933,1089 19.304,1090 -4.789,1091 11.675,1092 15.288,1094 23.971,1095 11.446,1096 2.141,1097 7.785,1098 21.165,1099 4.552,1100 12.752,1101 16.715,1103 26.324,1104 12.499,1105 1.739,1106 5.833,1107 23.034,1108 3.531,1109 13.915,1110 18.258,1112 28.726,1113 13.65,1114 1.336,1115 4.646,1116 24.91,1117 2.981,1118 15.032,1119 19.733,1121 31.102,1122 14.745,1123 1.073,1124 3.326,1125 26.791,1126 2.554,1127 16.185,1128 21.258,1130 33.497,1131 15.881,1132 1,1133 2.587,1134 28.675,1135 1.966,1136 17.319,1137 22.754,1139 35.882,1140 16.994,1141 1917,1142 3380,1143 12.425,1144 19.409,1145 27.398,1146 27.315,1147 27.635,1148 27.376,1149 27.125,1150 39.047,1152 77.335,1153 25.785,1154 5.25,1155 5.2,1156 6.518,1157 5.145,1158 5.166,1159 7.552,1161 18.059,1162 5.099,1163 4.554,1164 1.522,1165 1.518,1166 1.535,1167 1.521,1168 1.507,1169 2.169,1171 4.296,1172 1.433,1173 4.125,1174 4.161,1175 6.88,1176 4.045,1177 5.089,1178 4.048,1179 3.827,1180 3.859,1181 4.064,1182 3.776,1183 4.706,1184 3.764,1185 3.346,1186 3.401,1187 3.739,1188 3.237,1189 4.406,1190 3.218,1191 2.975,1192 3.029,1193 3.132,1194 2.885,1195 3.798,1196 2.863,1197 2.854,1198 2.925,1199 2.825,1200 2.735,1201 3.674,1202 2.715,1203 2.72,1204 2.786,1205 2.687,1206 2.61,1207 3.518,1208 2.595,1209 2.313,1210 2.381,1211 2.573,1212 2.166,1213 3.357,1214 2.112,1215 1.998,1216 2.11,1217 2.032,1218 1.784,1219 2.875,1220 1.763,1221 0.256,1222 0.178,1223 0.373,1224 0.23,1225 0.176,1226 4.607,1227 0.253,1228 3.2,1230 6.716,1231 0.607,1232 4.145,1233 0.172,1234 3.166,1235 4.552,1237 10.933,1238 3.099,1239 1.97,1240 1.952,1241 2.046,1242 2.023,1243 1.193,1244 2.036,1245 1.844,1246 1.816,1247 1.938,1248 1.943,1249 1.032,1250 1.948,1251 1.285,1252 1.219,1253 1.402,1254 1.571,1255 0.429,1256 1.529,1257 1.021,1258 0.985,1259 1.181,1260 1.148,1261 0.252,1262 1.169,1263 0.886,1264 0.821,1265 1.143,1266 1.062,1267 0.218,1268 1.107,1269 0.759,1270 0.696,1271 1.039,1272 0.935,1273 0.108,1274 0.978,1275 0.549,1276 0.475,1277 0.765,1278 0.74,1280 0.775,1283 0.391,1284 0.195,1286 0.274,1287 3.611,1289 4.92,1290 2.398,1291 6.438,1292 4.727,1293 8.048,1294 6.843,1295 9.708,1296 3.482,1314 18.175,1315 37.461,1316 68.096,1317 85.342,1318 105.342,1319 108.096,1320 108.096,1321 14.208,1322 6.324,1323 28.68,1324 28.68,1325 17,1326 12.068,1327 4.087,1328 3.17,1329 21.701,1330 37,1331 34,1332 0.302,1333 118.301,1334 186.48,1335 280.415,1336 3820,1337 4,1338 10.958,1339 0.685,1340 0.627,1341 11.958,1342 10.03,1343 7.843,1344 0.436,1345 0.324,1346 5.053,1347 7.141,1348 4.894,1349 4.055,1350 8.421,1351 5.828,1352 6.981,1353 0.279,1354 0.182,1355 7.798,1356 4.544,1357 5.986,1358 0.176,1359 0.09,1360 6.511,1361 3.065,1362 5.139,1363 0.112,1364 0.047,1365 5.577,1366 2.163,1367 4.231,1368 0.074,1369 0.027,1370 4.812,1371 1.56,1372 0.444,1373 56.34,1374 0.284,1375 15.824,1376 0.915,1377 86,1378 218.632,1379 155.312,1380 258.809,1381 353.69,1382 242,1383 102,1384 244.185,1385 134.51,1386 263.396,1387 384.16,1388 249,1389 5.1}
{0 CHEMBL1994241,1 1.722,2 8.783,3 4.042,4 16.339,5 90.659,6 10.578,7 0.64,8 3.682,9 3.766,10 3.542,11 3.312,12 4.971,13 3.305,14 4.12,15 4.233,16 3.95,17 3.676,18 5.339,19 3.652,20 4.308,21 4.44,22 4.11,23 3.787,24 5.599,25 3.736,26 4.347,27 4.514,28 4.066,29 3.731,30 5.628,31 3.66,32 4.246,33 4.429,34 3.976,35 3.629,36 5.486,37 3.553,38 4.128,39 4.298,40 4.084,41 3.551,42 5.479,43 3.496,44 4.087,45 4.263,46 3.775,47 3.475,48 5.447,49 3.384,50 3.873,51 4.025,52 3.613,53 3.274,54 5.325,55 3.207,56 0.083,57 0.465,58 2.785,59 2.743,60 10.546,61 2.786,62 0.18,63 0.721,64 6.809,65 4.686,66 15.642,67 4.871,68 0.296,69 0.864,70 13.361,71 6.034,72 28.049,73 6.161,74 0.363,75 0.914,76 22.191,77 6.703,78 39.569,79 6.619,80 0.31,81 0.8,82 19.638,83 6.352,84 39.278,85 6.683,86 0.23,87 0.732,88 13.641,89 4.944,90 29.239,91 5.416,92 0.326,93 0.684,94 27.706,95 5.764,96 40.766,97 5.956,98 0.246,99 0.547,100 6.64,101 3.854,102 41.51,103 4.241,104 21,105 35,106 0.308,107 0.704,108 0.805,109 0.884,110 0.894,111 0.894,112 3.189,113 0.906,114 -3.8,115 -3.76,116 -3.57,117 1,119 48.6,124 1,135 1,136 1,142 6,143 1,144 3,146 1,152 1,158 1,161 1,172 6,175 4,178 1,180 3,183 7,188 6,191 1,193 4,196 6,199 1,200 4,203 1,205 4,208 4,213 4,218 2,221 4,225 6,230 3,233 4,237 2,238 2,241 1,246 4,253 2,254 1,258 6,264 2,272 4,276 701,277 15.618,278 15.618,279 15.618,280 15.618,281 15.618,282 13.416,283 10.044,284 9.056,285 16.073,286 12.203,287 12.203,288 12.203,289 12.203,290 12.203,291 8.745,292 8.698,293 4.124,294 12.946,295 3.407,296 1.198,297 0.636,298 0.193,299 0.136,300 0.136,301 3.867,304 1,305 1,306 1,307 430,308 3.082,311 48.484,312 142.614,315 95.74,319 1.289,320 23.017,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 49.25,332 202,333 4.529,334 4.069,335 6.392,336 4.038,337 3.081,338 4.436,339 2.035,340 9.941,341 2.946,342 4.372,343 3.269,344 6.245,345 3.911,346 2.966,347 4.081,348 0.86,349 9.367,350 2.787,351 4.042,352 3.026,353 5.913,354 3.545,355 2.571,356 3.48,358 8.238,359 2.502,360 3.663,361 2.82,362 5.684,363 3.231,364 2.313,365 3.007,367 7.34,368 2.094,369 3.292,370 2.504,371 4.581,372 2.63,373 1.706,374 2.374,376 4.749,377 1.523,378 3.077,379 2.012,380 4.414,381 2.496,382 1.532,383 2.298,385 4.312,386 1.474,387 3.032,388 1.657,389 4.252,390 2.495,391 1.52,392 2.189,394 3.742,395 1.471,396 2.894,397 1.532,398 3.597,399 2.141,400 1.187,401 1.796,403 2.82,404 1.126,405 2.535,406 1.465,407 3.467,408 1.718,409 0.892,410 1.069,412 1.896,413 0.669,414 1.947,415 1.139,416 3,417 1.299,418 0.378,419 0.602,421 0.86,422 0.345,423 1.847,424 0.695,425 2.851,426 1.295,427 0.347,428 0.521,430 0.595,431 0.328,432 1.285,433 0.347,434 2.575,435 0.869,436 -0.017,437 -0.023,439 -0.026,440 -0.013,441 0.817,442 0.076,443 2.478,444 0.336,445 -0.504,446 -0.615,448 -1.235,449 -0.313,450 0.75,451 -0.175,452 2.151,453 0.281,454 -0.655,455 -0.817,457 -1.582,458 -0.61,459 0.547,460 -0.659,461 2,462 0.109,463 -0.845,464 -1.221,466 -1.996,467 -0.802,468 11.7,469 0.509,470 0.554,471 0.024,472 34,473 1.478,474 19.5,475 0.848,476 14.5,477 0.63,478 16.389,479 0.713,480 22.5,481 0.643,482 22.631,483 0.984,484 6.653,485 0.289,486 4.465,487 0.194,488 0.219,490 0.342,496 0.929,497 1.035,498 0.478,499 0.713,500 0.765,501 0.717,502 0.978,503 0.999,504 0.585,505 0.738,506 0.593,507 0.756,508 0.935,509 1.183,510 0.972,511 0.988,512 0.748,513 0.987,514 1.069,515 0.952,516 1.186,517 1.096,518 0.991,519 1.069,520 0.987,521 1.003,522 0.99,523 0.948,524 1.186,525 0.922,526 0.752,527 1.219,528 0.997,529 1.045,530 1.074,531 0.93,532 0.855,533 0.935,534 1.86,535 1.266,536 1.252,537 1.075,538 0.8,539 1.026,540 0.76,541 0.932,542 0.932,543 1.045,544 5,545 0.058,546 2.889,547 1.667,548 1.592,549 0.705,550 0.486,551 0.425,552 0.164,553 0.165,554 5322,555 18224,556 2.041,557 34.3,559 10,562 2,567 1.66,568 1.89,569 3.167,570 0.321,572 1,577 60.264,578 1.722,579 3.932,580 4.493,581 4.936,582 4.993,583 4.993,584 2.525,585 4.056,586 4.498,587 3.294,588 833.386,589 7.757,590 9408.88,592 1,593 1,594 1,595 179.525,596 1.478,597 4.443,598 0.2,599 0.007,600 0.083,601 0.046,602 0.051,603 0.025,604 0.017,605 0.018,606 0.008,607 0.012,608 0.468,609 0.5,610 1,611 0.942,612 106.742,613 -0.128,614 -0.029,615 -0.007,616 0.033,617 -0.099,618 0.041,619 -0.083,620 -0.013,621 0.02,622 0.079,623 -0.023,624 0.074,625 0.009,626 -0.192,627 -0.041,628 -0.069,629 0.028,630 -0.105,631 -0.073,632 0.06,633 -0.072,634 -0.105,635 -0.045,636 -0.125,637 -0.055,638 -0.043,639 0.028,640 0.05,641 -0.1,642 0.084,643 0.07,644 -0.196,645 0.11,646 -0.064,647 0.001,648 0.026,649 0.122,650 0.072,651 -0.215,652 -0.111,653 -0.002,654 -0.06,655 0.242,656 -0.042,657 0.026,658 -0.031,659 0.268,660 -0.131,661 1.64,662 3.76,663 0.652,664 16.802,665 1.017,666 1.109,667 2.568,668 6.597,669 0.745,670 3.258,671 3.584,672 3.871,673 4.111,674 4.317,675 4.357,676 4.369,677 4.454,678 4.382,679 4.419,680 5.469,681 0.719,682 370.22,683 3.258,684 4.796,685 5.652,686 6.532,687 7.408,688 8.291,689 9.172,690 10.057,691 10.94,692 11.825,693 8.6,701 1,702 1,703 1,708 2,709 6,710 1,711 1,714 5,716 16,732 1,733 1,734 1,735 35,737 18,738 2,739 25,740 1,741 37,742 17,743 13,744 6,745 6,746 2,748 3,749 4,761 1,762 15,763 1,767 1,774 1,776 1,780 1,783 12,784 4,785 2,786 6,787 1,789 1,792 3,797 0.667,798 2,815 1,816 2,819 1,825 1,834 1,835 1,843 2,846 1,847 1,851 23,857 1,861 1,866 1,870 1,872 1,873 1,874 5.7,876 1,879 1,881 12.167,882 6.743,883 5.194,884 1.882,886 3.689,887 1.536,888 0.979,889 4.377,890 10.575,891 3.611,892 4.245,893 4.906,894 5.51,895 6.07,896 6.433,897 6.81,898 7.25,899 7.462,900 7.837,901 0.833,902 36,903 8.41,905 3.544,906 7.917,907 15.65,909 12.479,911 2.417,912 55.583,916 117.711,917 115.104,918 110.585,920 53.683,923 161.059,924 171.394,925 64.63,926 10.883,928 66.334,929 78.399,930 75.659,931 2.144,932 117.711,933 45.954,934 117.711,935 179.735,936 53.683,938 45.954,939 117.711,940 53.683,943 52.317,944 101.156,945 26.262,946 45.954,947 117.711,948 118.314,949 161.059,952 117.711,953 21.286,954 77.217,955 79.341,956 101.528,957 117.711,958 118.314,959 161.059,961 0.578,962 0.356,963 0.192,964 0.104,965 17,966 8,967 0.081,968 3,969 1,970 1.133,971 3.456,972 183.411,973 0.133,974 15,975 104.042,981 15.604,982 6.451,983 3.094,984 1.664,985 101.528,986 10.757,987 4.428,988 3.128,991 2.212,993 59.469,994 397.083,995 36,1002 1.684,1004 0.384,1007 35.607,1008 38.831,1009 0.336,1010 0.767,1011 0.876,1012 0.962,1013 0.974,1014 0.974,1015 4.844,1016 1.187,1017 5.645,1018 3.742,1019 4.263,1020 4.931,1021 2.376,1022 6.466,1023 4.149,1024 6.091,1025 0.892,1026 7.216,1027 2.82,1028 3.892,1029 4.796,1031 7.368,1032 3.69,1033 7.419,1034 0.378,1035 8.883,1036 1.896,1037 5.872,1038 7.227,1039 3.594,1040 10.445,1041 5.671,1042 8.783,1043 0.347,1044 10.603,1045 0.86,1046 6.312,1047 7.925,1049 12.124,1050 6.017,1051 10.175,1052 -0.017,1053 12.356,1054 0.595,1055 7.763,1056 9.805,1057 4.968,1058 14.703,1059 7.468,1060 11.588,1061 -0.504,1062 14.131,1063 -0.026,1064 8.564,1065 10.896,1067 16.7,1068 8.182,1069 13.017,1070 -0.655,1071 15.919,1072 -1.235,1073 9.805,1074 12.545,1075 6.379,1076 19.095,1077 9.411,1078 3.081,1079 -0.845,1080 17.717,1081 -1.582,1082 10.771,1083 13.829,1085 21.236,1086 10.301,1087 2.966,1088 9.941,1089 19.523,1090 -1.996,1091 11.928,1092 15.375,1093 7.797,1094 23.556,1095 11.432,1096 2.571,1097 9.367,1098 21.334,1099 4.436,1100 12.969,1101 16.754,1103 25.765,1104 12.407,1105 2.313,1106 8.238,1107 23.15,1108 4.081,1109 14.093,1110 18.255,1111 9.217,1112 28.056,1113 13.496,1114 1.706,1115 7.34,1116 24.969,1117 3.48,1118 15.169,1119 19.681,1121 30.298,1122 14.513,1123 1.532,1124 4.749,1125 26.791,1126 3.007,1127 16.282,1128 21.164,1129 10.638,1130 32.579,1131 15.584,1132 1.52,1133 4.312,1134 28.615,1135 2.374,1136 17.374,1137 22.614,1139 34.839,1140 16.623,1141 5235,1142 9796,1143 16.414,1144 26.085,1145 38.78,1146 40.624,1147 39.193,1148 37.18,1149 36.989,1150 51.705,1151 5.789,1152 107.722,1153 34.53,1154 5.199,1155 6.069,1156 6.075,1157 5.053,1158 5.081,1159 7.436,1160 4.069,1161 16.688,1162 4.946,1163 11.9,1164 1.551,1165 1.625,1166 1.568,1167 1.487,1168 1.48,1169 2.068,1170 0.232,1171 4.309,1172 1.381,1173 4.113,1174 4.153,1175 6.88,1176 4.003,1177 6.82,1178 4.015,1179 3.923,1180 3.932,1181 4.076,1182 3.875,1183 6.47,1184 3.867,1185 3.565,1186 3.596,1187 3.811,1188 3.467,1189 5.065,1190 3.475,1191 3.264,1192 3.323,1193 3.519,1194 3.059,1195 4.772,1196 3.074,1197 3.202,1198 3.267,1199 3.152,1200 3.002,1201 4.432,1202 2.993,1203 2.951,1204 2.987,1205 3.004,1206 2.776,1207 4.319,1208 2.781,1209 2.91,1210 2.977,1211 2.878,1212 2.758,1213 3.859,1214 2.77,1215 2.779,1216 2.824,1217 2.791,1218 2.72,1219 3.849,1220 2.653,1221 0.181,1222 0.163,1223 0.256,1224 0.162,1225 0.123,1226 4.529,1227 0.177,1228 4.069,1229 0.081,1230 6.392,1231 0.398,1232 4.038,1233 0.118,1234 3.081,1235 4.436,1236 2.035,1237 9.941,1238 2.946,1239 1.915,1240 1.902,1241 2.011,1242 2.011,1243 1.114,1244 2.013,1245 1.905,1246 1.88,1247 1.948,1248 1.983,1249 1.094,1250 1.981,1251 1.59,1252 1.56,1253 1.661,1254 1.759,1255 0.692,1256 1.731,1257 1.198,1258 1.132,1259 1.546,1260 1.5,1261 0.567,1262 1.519,1263 1.113,1264 1.048,1265 1.287,1266 1.355,1267 0.31,1268 1.336,1269 0.942,1270 0.89,1271 1.126,1272 1.127,1273 0.188,1274 1.128,1275 0.863,1276 0.822,1277 1.071,1278 1.103,1279 0.131,1280 1.076,1281 0.759,1282 0.724,1283 0.915,1284 0.914,1286 0.938,1287 3.932,1289 5.252,1290 2.398,1291 6.772,1292 4.727,1293 8.38,1294 6.843,1295 10.031,1296 3.375,1297 1.473,1302 9.76,1306 5.103,1312 9.464,1313 2.15,1314 25.153,1315 60.264,1316 137.609,1317 157.26,1318 172.77,1319 174.77,1320 174.77,1321 37.192,1322 6.886,1323 81.93,1324 81.93,1325 17,1326 12.357,1327 4.248,1328 3.585,1329 36.745,1330 75,1331 66,1332 0.241,1333 162.675,1334 276.34,1335 388.688,1336 8047,1337 2.9,1338 16.397,1339 0.713,1340 0.598,1341 17.397,1342 13.755,1343 11.118,1344 0.445,1345 0.302,1346 6.708,1347 10.192,1348 6.485,1349 5.393,1350 11.695,1351 7.548,1352 9.795,1353 0.28,1354 0.162,1355 10.536,1356 5.672,1357 8.557,1358 0.182,1359 0.086,1360 9.264,1361 4.05,1362 6.968,1363 0.116,1364 0.044,1365 7.612,1366 2.668,1367 5.456,1368 0.074,1369 0.024,1370 5.998,1371 1.779,1372 0.372,1373 77.941,1374 0.247,1375 22.333,1376 0.682,1377 120,1378 384.163,1379 195.71,1380 414.15,1381 551.64,1382 384,1383 142,1384 376.788,1385 186.367,1386 398.895,1387 578.78,1388 373,1389 5.4}
{0 CHEMBL1994321,1 1.746,2 15.343,3 3.734,4 13.944,5 141.263,6 8.718,7 0.579,8 4.164,9 4.266,10 4.006,11 3.806,12 5.326,13 3.754,14 4.651,15 4.786,16 4.27,17 4.169,18 6.019,19 4.102,20 4.854,21 5.015,22 4.264,23 4.272,24 6.053,25 4.187,26 4.885,27 5.074,28 4.287,29 4.257,30 6.085,31 4.16,32 4.85,33 5.051,34 4.142,35 4.177,36 6.031,37 4.07,38 4.753,39 4.954,40 4.099,41 4.092,42 5.907,43 3.993,44 4.696,45 4.872,46 4.136,47 4.085,48 5.863,49 3.98,50 4.724,51 4.915,52 4.167,53 4.079,54 5.947,55 3.964,56 0.136,57 0.89,58 12.253,59 5.366,60 22.237,61 5.722,62 0.474,63 1.382,64 23.439,65 9.608,66 63.994,67 10.771,68 0.436,69 1.617,70 26.51,71 10.886,72 76.129,73 11.864,74 0.324,75 1.661,76 29.144,77 11.83,78 58.629,79 14.225,80 0.371,81 1.599,82 31.118,83 11.752,84 61.642,85 13.573,86 0.365,87 1.487,88 29.02,89 10.492,90 54.095,91 12.139,92 0.322,93 1.408,94 27.06,95 9.845,96 50.476,97 10.825,98 0.421,99 1.403,100 26.879,101 10.793,102 55.688,103 12.526,104 42,105 54,106 0.279,107 0.657,108 0.791,109 0.852,110 0.865,111 0.87,112 3.588,113 1.051,114 -3.81,115 -3.77,116 -3.59,119 43.1,120 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 13,174 1,175 2,177 1,178 5,179 1,180 6,183 18,185 1,188 2,193 6,196 13,198 1,200 9,205 11,208 9,210 3,213 8,218 8,221 6,223 3,225 7,228 1,230 9,233 9,235 3,238 1,243 3,246 12,249 2,250 5,253 1,254 2,255 3,257 2,258 12,264 3,269 4,272 8,276 2542,277 23.032,278 23.032,279 23.032,280 23.032,281 23.032,282 19.571,283 23.906,284 13.495,285 23.48,286 18.787,287 18.787,288 18.787,289 18.787,290 18.787,291 13.497,292 28.787,293 6.44,294 19.531,295 4.112,296 1.738,297 0.901,298 0.522,299 0.44,300 0.405,301 4.279,306 1,307 1139,308 4.416,311 85.246,312 353.549,315 161.683,319 2.715,320 37.24,323 0.75,324 0.83,325 0.83,326 0.5,328 0.67,329 0.5,330 0.58,331 75.5,332 537,333 4.732,334 4.308,335 6.972,336 4.252,337 3.286,338 4.712,339 1.656,340 11.822,341 3.176,342 4.623,343 3.563,344 6.394,345 4.03,346 3.098,347 4.424,348 0.769,349 9.951,350 2.862,351 4.155,352 3.364,353 6.078,354 3.736,355 2.761,356 3.74,357 0.247,358 8.756,359 2.688,360 4.073,361 2.883,362 5.63,363 3.659,364 2.675,365 3.66,367 7.806,368 2.629,369 3.934,370 2.74,371 5.535,372 3.453,373 2.473,374 3.329,376 7.244,377 2.417,378 3.703,379 2.593,380 5.373,381 3.208,382 2.232,383 2.98,385 6.76,386 2.179,387 3.468,388 2.382,389 4.903,390 3.056,391 2.089,392 2.776,394 5.71,395 2.016,396 3.432,397 2.268,398 4.718,399 2.779,400 1.834,401 2.593,403 4.973,404 1.741,405 3.185,406 2.136,407 4.505,408 2.67,409 1.695,410 2.341,412 4.595,413 1.613,414 3.074,415 1.867,416 4.195,417 2.436,418 1.464,419 2.115,421 3.385,422 1.419,423 2.659,424 1.24,425 3.731,426 2.18,427 1.183,428 1.73,430 2.927,431 1.179,432 2.562,433 1.192,434 3.574,435 2.038,436 1.083,437 1.587,439 2.586,440 1.024,441 2.5,442 1.027,443 3.479,444 2,445 1,446 1.5,448 2.275,449 1,450 2.286,451 1,452 3.414,453 1.72,454 0.875,455 1.2,457 2.23,458 0.72,459 1.978,460 0.883,461 3.11,462 1.435,463 0.509,464 0.676,466 1.162,467 0.467,468 17.167,469 0.49,470 1.066,471 0.03,472 49.75,473 1.421,474 28,475 0.8,476 21.75,477 0.621,478 28.137,479 0.804,480 36.233,481 0.625,482 40.222,483 1.149,484 9.617,485 0.275,486 7.075,487 0.202,488 0.14,489 0.049,490 0.291,496 0.668,497 1.104,498 0.79,499 0.977,500 0.717,501 0.808,502 0.489,503 0.954,504 1.003,505 1.011,506 0.477,507 0.888,508 1.295,509 0.991,510 1.014,511 0.885,512 1.253,513 0.995,514 0.829,515 1.132,516 0.806,517 0.964,518 0.771,519 0.992,520 0.979,521 1.057,522 1.01,523 0.998,524 0.822,525 1.008,526 0.925,527 1.033,528 1.009,529 0.988,530 0.81,531 0.952,532 1.025,533 1.117,534 0.946,535 1.013,536 0.974,537 1.081,538 0.672,539 0.956,540 0.865,541 1.036,542 0.833,543 1.029,544 8.5,545 0.211,546 3.556,547 2.403,548 1.984,549 1.115,550 0.767,551 0.592,552 0.433,553 0.434,554 19961,555 63510,556 2.034,557 39.7,558 3,559 13,560 1,561 1,562 5,567 1.763,568 1.883,569 3.851,570 2.304,577 101.26,578 1.746,579 4.12,580 4.957,581 5.336,582 5.418,583 5.453,584 3.375,585 4.765,586 5.092,587 4.102,588 2440.45,589 8.923,590 40386.9,595 339.763,596 1.592,597 5.043,598 0.224,599 0.007,600 0.066,601 0.046,602 0.039,603 0.025,604 0.018,605 0.014,606 0.011,607 0.012,608 0.461,609 0.17,610 0.88,611 1.315,612 193.554,613 -0.003,614 0.024,615 0.14,616 0.033,617 -0.173,618 0.079,619 0.349,620 0.115,621 -0.036,622 0.001,623 0.287,624 0.037,625 -0.278,626 0.023,627 -0.163,628 0.027,629 -0.242,630 -0.081,631 -0.024,632 -0.167,633 0.071,634 -0.031,635 0.014,636 -0.012,637 -0.112,638 -0.069,639 -0.061,640 -0.035,641 -0.011,642 -0.024,643 -0.075,644 -0.015,645 -0.031,646 -0.012,647 -0.042,648 0.026,649 -0.14,650 -0.102,651 -0.029,652 -0.063,653 -0.135,654 -0.134,655 0.213,656 0.017,657 0.124,658 -0.034,659 0.057,660 -0.032,661 4.221,662 5.331,663 0.6,664 51.669,665 1.01,666 1.115,667 2.583,668 6.672,669 0.716,670 3.664,671 4.007,672 4.205,673 4.489,674 4.691,675 4.779,676 4.913,677 5.094,678 5.153,679 5.268,680 8.994,681 0.679,682 505.67,683 3.664,684 5.22,685 6.052,686 6.94,687 7.793,688 8.685,689 9.551,690 10.447,691 11.323,692 12.222,693 8.6,695 1,697 1,700 2,703 1,708 2,709 10,710 1,713 1,714 7,716 22,727 1,735 58,737 26,738 2,739 38,741 61,742 25,743 19,744 4,745 8,748 4,749 5,753 1,754 1,761 2,762 20,763 3,767 3,770 1,772 3,776 1,783 23,784 8,785 5,786 10,787 2,792 5,797 0.75,798 3,809 1,815 1,816 3,819 1,823 2,843 3,845 2,847 2,851 35,852 1,855 1,858 1,860 3,866 1,869 1,872 2,874 5.2,877 3,881 18.583,882 10.95,883 7.514,884 3.068,886 5.073,887 1.617,888 1.019,889 7.489,890 13.29,891 4.007,892 4.666,893 5.188,894 5.835,895 6.4,896 6.769,897 7.236,898 7.732,899 8.066,900 8.471,901 1,902 52,903 13.035,905 5.687,906 7.94,907 24.204,909 19.726,911 2.44,912 85.417,916 211.88,917 209.952,918 102.109,920 69.458,922 37.085,923 172.867,924 281.338,925 102.109,926 16.016,927 38.127,928 138.569,929 98.015,930 29.876,931 53.182,932 219.615,934 211.88,935 274.976,936 69.458,937 37.085,939 211.88,940 69.458,943 72.405,944 151.725,945 56.654,946 31.278,947 211.88,948 171.567,949 209.952,951 5.807,952 211.88,953 61.562,954 108.522,955 86.488,956 119.141,957 211.88,958 171.567,959 209.952,961 0.588,962 0.315,963 0.17,964 0.091,965 25,966 12,967 0.082,968 5,969 1,970 1.095,971 4.614,972 318.305,973 0.095,974 21,975 171.525,977 1,980 1,981 24.839,982 10.552,983 6.445,984 1.662,985 171.567,986 18.576,987 4.274,990 1.489,991 5.306,993 85.324,994 593.399,995 54,998 -3.304,1000 34.74,1004 -0.327,1007 58.596,1008 64.697,1009 0.298,1010 0.703,1011 0.846,1012 0.911,1013 0.925,1014 0.931,1015 5.255,1016 1.834,1017 6.071,1018 5.71,1019 4.691,1020 5.354,1021 1.944,1022 6.893,1023 4.615,1024 6.52,1025 1.695,1026 7.639,1027 4.973,1028 4.443,1029 5.394,1030 1.195,1031 7.968,1032 4.321,1033 7.872,1034 1.464,1035 9.31,1036 4.595,1037 6.337,1038 7.687,1039 2.476,1040 10.973,1041 6.186,1042 9.26,1043 1.183,1044 11.043,1045 3.385,1046 6.858,1047 8.519,1048 2.324,1049 12.853,1050 6.648,1051 10.677,1052 1.083,1053 12.816,1054 2.927,1055 8.278,1056 10.334,1057 3.26,1058 15.452,1059 8.042,1060 12.116,1061 1,1062 14.617,1063 2.586,1064 9.14,1065 11.529,1066 3.407,1067 17.659,1068 8.844,1069 13.571,1070 0.875,1071 16.44,1072 2.275,1073 10.386,1074 13.163,1075 4.159,1076 20.142,1077 10.058,1078 3.286,1079 0.509,1080 18.279,1081 2.23,1082 11.406,1083 14.532,1084 4.464,1085 22.488,1086 11.022,1087 3.098,1088 11.822,1089 20.132,1090 1.162,1091 12.588,1092 16.095,1093 5.112,1094 24.941,1095 12.168,1096 2.761,1097 9.951,1098 21.996,1099 4.712,1100 13.682,1101 17.547,1102 5.504,1103 27.347,1104 13.212,1105 2.675,1106 8.756,1107 23.87,1108 4.424,1109 14.844,1110 19.084,1111 6.091,1112 29.797,1113 14.336,1114 2.473,1115 7.806,1116 25.752,1117 3.74,1118 15.974,1119 20.576,1120 6.531,1121 32.231,1122 15.42,1123 2.232,1124 7.244,1125 27.641,1126 3.66,1127 17.132,1128 22.106,1129 7.083,1130 34.684,1131 16.541,1132 2.089,1133 6.76,1134 29.536,1135 3.329,1136 18.28,1137 23.618,1138 7.551,1139 37.133,1140 17.648,1141 19250,1142 34560,1143 24.849,1144 41.54,1145 58.098,1146 59.503,1147 58.189,1148 56.603,1149 56.662,1150 78.893,1151 5.345,1152 164.755,1153 54.393,1154 5.599,1155 6.308,1156 6.614,1157 5.358,1158 5.286,1159 7.712,1160 2.912,1161 19.202,1162 5.176,1163 20.455,1164 1.529,1165 1.566,1166 1.531,1167 1.49,1168 1.491,1169 2.076,1170 0.141,1171 4.336,1172 1.431,1173 4.121,1174 4.131,1175 4.714,1176 4.128,1177 7.718,1178 4.087,1179 3.958,1180 3.968,1181 4.339,1182 3.925,1183 7.431,1184 3.858,1185 3.934,1186 3.922,1187 3.884,1188 3.86,1189 6.999,1190 3.791,1191 3.844,1192 3.87,1193 3.805,1194 3.786,1195 5.194,1196 3.761,1197 3.483,1198 3.515,1199 3.529,1200 3.417,1201 4.817,1202 3.395,1203 3.403,1204 3.444,1205 3.383,1206 3.168,1207 4.763,1208 3.205,1209 3.256,1210 3.314,1211 3.328,1212 3.113,1213 4.732,1214 3.095,1215 3.144,1216 3.222,1217 2.988,1218 2.986,1219 4.465,1220 2.968,1221 0.125,1222 0.113,1223 0.183,1224 0.112,1225 0.086,1226 4.732,1227 0.124,1228 4.308,1229 0.044,1230 6.972,1231 0.311,1232 4.252,1233 0.084,1234 3.286,1235 4.712,1236 1.656,1237 11.822,1238 3.176,1239 1.964,1240 1.945,1241 2.044,1242 2.047,1243 1.176,1244 2.046,1245 1.913,1246 1.884,1247 2.027,1248 2.006,1249 1.131,1250 2.015,1251 1.844,1252 1.831,1253 1.883,1254 1.937,1255 1.033,1256 1.973,1257 1.732,1258 1.76,1259 1.688,1260 1.878,1261 0.99,1262 1.909,1263 1.451,1264 1.434,1265 1.563,1266 1.62,1267 0.69,1268 1.602,1269 1.324,1270 1.291,1271 1.549,1272 1.532,1273 0.631,1274 1.549,1275 1.258,1276 1.214,1277 1.423,1278 1.404,1279 0.609,1280 1.448,1281 1.139,1282 1.075,1283 1.315,1284 1.34,1285 0.301,1286 1.377,1287 4.344,1289 5.68,1290 2.398,1291 7.189,1292 4.727,1293 8.782,1294 6.88,1295 10.423,1297 3.046,1301 6.19,1303 0.009,1305 7.984,1313 5.772,1314 39.367,1315 101.26,1316 238.934,1317 287.498,1318 309.498,1319 314.253,1320 316.253,1321 72.757,1322 8.216,1323 126.21,1324 162.83,1325 23,1326 12.75,1327 4.755,1328 4.087,1329 59.842,1330 186,1331 177,1332 0.154,1333 251.171,1334 432.09,1335 604.618,1336 49396,1338 25.001,1339 0.714,1340 0.591,1341 25.605,1342 20.679,1343 16.692,1344 0.439,1345 0.35,1346 10.661,1347 14.994,1348 10.072,1349 8.417,1350 18.073,1351 13.308,1352 16.099,1353 0.298,1354 0.195,1355 18.028,1356 10.544,1357 11.842,1358 0.179,1359 0.101,1360 13.025,1361 6.682,1362 10.195,1363 0.116,1364 0.055,1365 11.465,1366 4.812,1367 8.008,1368 0.074,1369 0.029,1370 9.059,1371 3.09,1372 0.25,1373 117.527,1374 0.201,1375 32.966,1376 0.4,1377 184,1378 562.883,1379 251.468,1380 597.149,1381 804.25,1382 550,1383 212,1384 548.365,1385 282.585,1386 608.9,1387 873.05,1388 567,1389 6.3}
{0 CHEMBL1994361,1 1.554,2 14.806,3 4.442,4 19.735,5 139.067,6 7.878,7 0.7,8 4.215,9 4.329,10 3.823,11 3.812,12 5.409,13 3.798,14 4.701,15 4.838,16 4.181,17 4.205,18 5.852,19 4.173,20 4.98,21 5.16,22 4.27,23 4.328,24 6.156,25 4.274,26 5.061,27 5.27,28 4.216,29 4.294,30 6.307,31 4.228,32 5.003,33 5.214,34 4.161,35 4.25,36 6.142,37 4.183,38 4.998,39 5.207,40 4.151,41 4.227,42 6.196,43 4.161,44 4.994,45 5.229,46 4.039,47 4.174,48 6.118,49 4.09,50 4.859,51 5.088,52 3.959,53 4.086,54 5.97,55 3.997,56 0.067,57 0.923,58 11.015,59 5.318,60 16.653,61 6.432,62 0.128,63 1.454,64 19.431,65 9.117,66 25.371,67 11.145,68 0.345,69 1.869,70 28.944,71 12.176,72 52.961,73 15.239,74 0.583,75 1.956,76 34.381,77 13.186,78 109.78,79 16.64,80 0.38,81 1.837,82 31.965,83 12.32,84 70.384,85 15.743,86 0.493,87 1.902,88 31.547,89 11.792,90 78.565,91 15.034,92 0.509,93 1.845,94 33.557,95 12.265,96 84.739,97 15.811,98 0.411,99 1.584,100 28.5,101 11.054,102 60.079,103 14.73,104 17,105 56,106 0.246,107 0.588,108 0.775,109 0.891,110 0.917,111 0.917,112 3.615,113 0.868,114 -4.56,115 -4.48,116 -4.22,119 47.5,121 1,125 1,127 1,142 12,143 6,144 3,145 2,151 1,152 1,157 1,163 2,164 2,165 2,172 16,175 4,180 6,183 18,185 3,187 1,188 6,190 1,191 1,193 6,196 15,198 3,200 8,202 1,203 1,205 4,208 10,210 3,213 8,217 1,218 4,220 1,221 9,223 4,225 5,227 1,228 2,230 6,233 10,235 6,237 1,238 4,240 1,241 1,243 3,246 10,248 3,249 1,250 4,252 1,253 1,255 3,258 9,260 2,264 4,267 1,269 3,272 9,274 2,276 2528,277 24.499,278 24.499,279 24.499,280 24.499,281 24.499,282 21.072,283 14.673,284 14.43,285 24.794,286 19.732,287 19.732,288 19.732,289 19.732,290 19.732,291 14.627,292 13.064,293 6.841,294 20.232,295 4.377,296 2.211,297 1.033,298 0.295,299 0.131,300 0.131,301 4.321,306 1,307 1173,308 3.742,311 90.191,312 479.898,315 167.947,319 2.327,320 42.247,323 1,324 0.83,325 1,326 0.6,328 1,329 1,330 0.78,331 77.5,332 533,333 4.527,334 3.65,335 6.699,336 4.153,337 3.149,338 4.474,339 0.86,340 10.71,341 3.162,342 4.505,343 3.162,344 6.533,345 4.058,346 3.072,347 4.169,349 10.301,350 3.03,351 4.248,352 3.019,353 6.2,354 3.863,355 2.877,356 3.879,358 9.24,359 2.84,360 4.003,361 2.925,362 5.933,363 3.576,364 2.612,365 3.594,367 8.168,368 2.517,369 3.646,370 2.732,371 5.353,372 3.372,373 2.413,374 2.995,376 6.912,377 2.31,378 3.504,379 2.497,380 5.246,381 3.193,382 2.229,383 2.805,385 6.537,386 2.136,387 3.282,388 2.368,389 4.852,390 2.861,391 1.867,392 2.528,394 5.208,395 1.843,396 3.134,397 1.975,398 4.798,399 2.815,400 1.833,401 2.319,403 5.007,404 1.796,405 3.045,406 1.663,407 4.307,408 2.518,409 1.546,410 2.235,412 3.966,413 1.501,414 2.884,415 1.576,416 4.146,417 2.412,418 1.459,419 2.034,421 3.706,422 1.386,423 2.863,424 1.546,425 4.128,426 2.383,427 1.414,428 2.019,430 3.447,431 1.359,432 2.736,433 1.323,434 3.633,435 2.284,436 1.29,437 1.84,439 2.975,440 1.277,441 2.618,442 1.309,443 3.582,444 2.144,445 1.155,446 1.671,448 2.748,449 1.141,450 2.589,451 1.216,452 3.489,453 2.05,454 1.105,455 1.631,457 2.55,458 1.04,459 2.354,460 1.125,461 3.454,462 1.789,463 0.747,464 1.152,466 1.82,467 0.773,468 17.052,469 0.474,470 0.853,471 0.024,472 51,473 1.417,474 28.5,475 0.792,476 22.5,477 0.625,478 27.927,479 0.776,480 36.948,481 0.606,482 42.562,483 1.182,484 10.346,485 0.287,486 7.145,487 0.198,488 0.083,490 0.352,494 1,496 0.751,497 0.916,498 0.751,499 0.862,500 0.7,501 0.806,502 0.835,503 1.023,504 0.849,505 1.012,506 0.658,507 0.95,508 0.957,509 1.069,510 0.971,511 1.082,512 0.88,513 1.043,514 1.099,515 1.007,516 1.013,517 1.013,518 1.009,519 1.003,520 1.059,521 0.99,522 0.988,523 1.014,524 1.078,525 0.995,526 1.085,527 1.027,528 1.084,529 1.069,530 0.937,531 1.073,532 1.15,533 0.95,534 1.047,535 0.947,536 1.088,537 0.97,538 0.76,539 0.986,540 0.912,541 1.006,542 0.649,543 0.992,544 6.5,545 0.214,546 4.444,547 2.604,548 1.835,549 1.285,550 0.668,551 0.613,552 0.305,553 0.236,554 22305,555 60257,556 2.12,557 41,559 15,560 1,561 2,562 5,564 2,567 1.771,568 2,569 3.826,570 2.19,577 94.797,578 1.554,579 3.72,580 4.898,581 5.636,582 5.8,583 5.8,584 3.251,585 4.837,586 5.144,587 4.026,588 2536.49,589 9.02,590 42087.4,595 361.775,596 1.352,597 5.109,598 0.162,599 0.006,600 0.079,601 0.045,602 0.035,603 0.025,604 0.014,605 0.014,606 0.007,607 0.006,608 0.394,610 0.75,611 0.496,612 199.426,613 -0.083,614 0.091,615 0.015,616 0.097,617 -0.109,618 0.087,619 -0.065,620 -0.055,621 -0.023,622 -0.033,623 -0.028,624 -0.021,625 0.003,626 -0.092,627 -0.046,628 -0.1,629 0.002,630 -0.087,631 0.029,632 -0.039,633 -0.013,634 -0.03,635 0.122,636 -0.029,637 -0.072,638 -0.076,639 -0.007,640 -0.042,641 -0.055,642 -0.02,643 -0.017,644 -0.047,645 -0.1,646 -0.114,647 0.011,648 -0.123,649 -0.067,650 0.031,651 -0.017,652 0.03,653 -0.069,654 0.02,655 0.113,656 -0.076,657 0.083,658 -0.017,659 0.095,660 0.018,661 2.256,662 6.18,663 0.75,664 43.025,665 1.005,666 1.12,667 3.329,668 11.085,669 0.693,670 3.714,671 4.043,672 4.331,673 4.585,674 4.787,675 4.804,676 4.913,677 5.004,678 5.037,679 5.118,680 8.677,681 0.667,682 480.58,683 3.714,684 5.263,685 6.12,686 6.999,687 7.87,688 8.751,689 9.627,690 10.51,691 11.388,692 12.271,693 6.6,694 1,697 1,701 1,703 1,708 2,709 15,710 1,711 1,714 8,716 28,721 1,727 1,733 1,734 1,735 61,737 29,738 3,739 40,741 65,742 29,743 25,744 7,745 11,746 1,748 5,749 6,760 2,762 26,763 3,767 1,772 1,776 1,781 1,783 25,784 6,785 5,786 7,792 4,797 0.8,798 2,809 1,811 1,815 1,816 4,819 1,836 1,843 4,849 1,851 36,852 2,858 2,861 1,863 1,873 1,874 3.3,877 1,879 1,881 18,882 10.676,883 7.861,884 3.433,886 5.261,887 1.627,888 1.032,889 6.81,890 13.655,891 4.025,892 4.661,893 5.29,894 5.883,895 6.398,896 6.613,897 7.003,898 7.351,899 7.531,900 7.848,901 0.9,902 58,903 13.358,905 5.848,906 7.852,907 25.102,909 20.858,911 2.352,912 84.667,916 235.422,917 190.884,918 99.365,920 36.145,921 14.96,923 190.884,924 271.567,925 114.326,927 40.024,928 155.66,929 70.606,930 81.502,931 28.875,932 200.109,934 235.422,935 290.249,936 51.105,939 226.84,940 59.687,943 74.904,944 198.559,945 16.786,947 250.382,948 135.51,949 190.884,952 235.422,953 50.027,954 140.857,955 16.786,956 133.685,957 235.422,958 150.47,959 190.884,961 0.583,962 0.347,963 0.189,964 0.102,965 27,966 12,967 0.123,968 8,969 1,970 1.074,971 4.723,972 342.956,973 0.074,974 27,975 186.117,981 23.741,982 10.326,983 5.182,984 2.231,985 133.685,986 26.106,987 4.278,988 3.263,991 3.03,993 82.58,994 576.776,995 55,1000 12.952,1004 -0.476,1007 61.294,1008 68.319,1009 0.262,1010 0.627,1011 0.826,1012 0.95,1013 0.978,1014 0.978,1015 5.252,1016 1.833,1017 6.103,1018 5.208,1019 4.727,1020 5.349,1021 0.908,1022 6.915,1023 4.683,1024 6.47,1025 1.546,1026 7.663,1027 5.007,1028 4.29,1029 5.121,1031 7.816,1032 4.24,1033 7.779,1034 1.459,1035 9.325,1036 3.966,1037 6.323,1038 7.59,1039 0.739,1040 10.927,1041 6.253,1042 9.127,1043 1.414,1044 11.048,1045 3.706,1046 6.723,1047 8.22,1049 12.669,1050 6.655,1051 10.508,1052 1.29,1053 12.809,1054 3.447,1055 8.208,1056 10.133,1057 0.593,1058 15.287,1059 8.127,1060 11.913,1061 1.155,1062 14.598,1063 2.975,1064 8.994,1065 11.18,1067 17.369,1068 8.918,1069 13.338,1070 1.105,1071 16.407,1072 2.748,1073 10.258,1074 12.849,1075 0.469,1076 19.815,1077 10.174,1078 3.149,1079 0.747,1080 18.229,1081 2.55,1082 11.224,1083 14.105,1085 22.042,1086 11.145,1087 3.072,1088 10.71,1089 20.064,1090 1.82,1091 12.398,1092 15.662,1093 0.366,1094 24.424,1095 12.315,1096 2.877,1097 10.301,1098 21.906,1099 4.474,1100 13.448,1101 17.023,1103 26.716,1104 13.369,1105 2.612,1106 9.24,1107 23.756,1108 4.169,1109 14.587,1110 18.53,1111 0.283,1112 29.076,1113 14.507,1114 2.413,1115 8.168,1116 25.611,1117 3.879,1118 15.676,1119 19.946,1121 31.398,1122 15.599,1123 2.229,1124 6.912,1125 27.471,1126 3.594,1127 16.804,1128 21.432,1129 0.217,1130 33.75,1131 16.727,1132 1.867,1133 6.537,1134 29.335,1135 2.995,1136 17.911,1137 22.876,1139 36.087,1140 17.837,1141 20640,1142 34113,1143 27.046,1144 42.245,1145 60.671,1146 61.898,1147 61.969,1148 59.937,1149 59.906,1150 81.707,1151 1.72,1152 172.108,1153 58.4,1154 5.429,1155 5.65,1156 6.384,1157 5.219,1158 5.149,1159 7.474,1160 1.72,1161 18.015,1162 5.162,1163 16.22,1164 1.517,1165 1.547,1166 1.549,1167 1.498,1168 1.498,1169 2.043,1170 0.043,1171 4.303,1172 1.46,1173 4.133,1174 4.167,1175 4.087,1176 4.051,1177 8.201,1178 4.055,1179 4.033,1180 4.053,1181 3.996,1182 3.968,1183 7.427,1184 3.972,1185 3.891,1186 3.916,1187 3.848,1188 3.815,1189 5.106,1190 3.817,1191 3.751,1192 3.786,1193 3.692,1194 3.635,1195 5.041,1196 3.645,1197 3.611,1198 3.674,1199 3.491,1200 3.475,1201 4.946,1202 3.47,1203 3.371,1204 3.435,1205 3.259,1206 3.208,1207 4.916,1208 3.213,1209 3.205,1210 3.216,1211 3.149,1212 3.063,1213 4.623,1214 3.078,1215 3.074,1216 3.151,1217 2.965,1218 2.889,1219 4.455,1220 2.898,1221 0.113,1222 0.091,1223 0.167,1224 0.104,1225 0.079,1226 4.527,1227 0.112,1228 3.65,1229 0.022,1230 6.699,1231 0.268,1232 4.153,1233 0.079,1234 3.149,1235 4.474,1236 0.86,1237 10.71,1238 3.162,1239 1.994,1240 1.977,1241 2.067,1242 2.077,1243 1.259,1244 2.074,1245 1.942,1246 1.918,1247 2.041,1248 2.02,1249 1.185,1250 2.028,1251 1.871,1252 1.848,1253 1.97,1254 1.973,1255 1.072,1256 1.97,1257 1.723,1258 1.688,1259 1.887,1260 1.893,1261 1.043,1262 1.895,1263 1.66,1264 1.612,1265 1.791,1266 1.814,1267 0.847,1268 1.811,1269 1.372,1270 1.307,1271 1.574,1272 1.617,1273 0.687,1274 1.611,1275 1.142,1276 1.125,1277 1.293,1278 1.319,1279 0.389,1280 1.309,1281 1.048,1282 0.992,1283 1.272,1284 1.3,1285 0.327,1286 1.286,1287 4.394,1289 5.72,1290 2.398,1291 7.241,1292 4.727,1293 8.847,1294 6.823,1295 10.497,1299 14.18,1301 12.406,1303 0.972,1306 5.938,1308 -0.214,1314 40.693,1315 94.797,1316 226.933,1317 298.755,1318 343.775,1319 353.775,1320 353.775,1321 76.565,1322 8.393,1323 107.02,1324 107.02,1325 29,1326 12.806,1327 4.907,1328 4,1329 54.719,1330 189,1331 178,1332 0.137,1333 247.366,1334 424.65,1335 595.332,1336 66602,1337 1.6,1338 25.07,1339 0.696,1340 0.54,1341 24.2,1342 19.448,1343 17.491,1344 0.437,1345 0.289,1346 11.44,1347 16.978,1348 11.213,1349 9.28,1350 17.081,1351 11.569,1352 15.756,1353 0.281,1354 0.155,1355 15.228,1356 8.655,1357 13.572,1358 0.181,1359 0.081,1360 13.112,1361 6.084,1362 11.323,1363 0.117,1364 0.044,1365 10.889,1366 4.224,1367 9.054,1368 0.076,1369 0.024,1370 8.868,1371 2.853,1372 0.222,1373 108.83,1374 0.192,1375 33.471,1376 0.359,1377 192,1378 578.185,1379 206.64,1380 543.87,1381 740.7,1382 508,1383 227,1384 541.988,1385 242.078,1386 549.675,1387 802.79,1388 518,1389 5.7}
{0 CHEMBL1994438,1 1.573,2 9.292,3 3.006,4 9.034,5 96.407,6 7.974,7 0.593,8 3.882,9 4.02,10 3.51,11 3.427,12 4.947,13 3.407,14 4.427,15 4.606,16 3.911,17 3.852,18 5.468,19 3.799,20 4.729,21 4.976,22 3.915,23 3.963,24 5.649,25 3.87,26 4.725,27 4.992,28 3.882,29 3.883,30 5.675,31 3.785,32 4.614,33 4.883,34 3.807,35 3.786,36 5.598,37 3.69,38 4.446,39 4.673,40 3.884,41 3.725,42 5.514,43 3.652,44 4.345,45 4.534,46 3.784,47 3.698,48 5.462,49 3.588,50 4.301,51 4.51,52 3.438,53 3.609,54 5.245,55 3.456,56 0.047,57 0.701,58 8.41,59 3.413,60 9.039,61 4.733,62 0.209,63 1.121,64 16.631,65 6.338,66 22.856,67 8.898,68 0.257,69 1.335,70 26.793,71 8.471,72 32.569,73 12.406,74 0.39,75 1.27,76 28.048,77 7.815,78 40.37,79 11.817,80 0.343,81 1.126,82 26.065,83 7.315,84 40.228,85 10.764,86 0.332,87 0.967,88 23.304,89 5.862,90 31.559,91 8.306,92 0.329,93 0.838,94 23.743,95 6.173,96 35.702,97 8.25,98 0.196,99 0.776,100 23.489,101 6.647,102 25.937,103 8.899,104 5,105 38,106 0.273,107 0.651,108 0.794,109 0.862,110 0.886,111 0.902,112 3.229,113 0.953,114 -3.89,115 -3.85,116 -3.65,119 39.5,121 4,127 2,142 3,143 2,145 1,146 1,147 1,150 1,151 1,161 1,163 1,164 1,165 1,172 6,174 1,175 6,178 3,180 4,183 6,185 1,188 3,192 1,193 5,195 1,196 3,198 2,200 5,203 1,205 7,208 2,210 1,212 1,213 7,215 2,216 2,218 1,221 2,225 3,228 1,229 1,230 2,233 4,237 1,238 2,241 1,243 4,246 8,248 3,255 2,258 6,260 1,264 1,268 1,269 3,271 1,272 4,274 1,276 756,277 16.447,278 16.447,279 16.447,280 16.447,281 16.447,282 14.604,283 12.206,284 9.749,285 16.91,286 13.37,287 13.37,288 13.37,289 13.37,290 13.37,291 10.59,292 19.71,293 4.664,294 14.199,295 3.854,296 1.682,297 0.855,298 0.465,299 0.326,300 0.233,301 3.929,303 1,304 1,305 1,306 1,307 494,308 2.236,311 46.551,312 204.417,315 88.846,319 1.458,320 20.245,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 51.333,332 223,333 4.601,334 3.208,335 6.714,336 4.142,337 3.168,338 4.535,339 0.4,340 10.928,341 3.088,342 4.157,343 3.014,344 6.072,345 3.813,346 2.86,347 3.816,349 8.826,350 2.735,351 3.799,352 2.878,353 5.832,354 3.579,355 2.648,356 2.974,358 8.125,359 2.453,360 3.532,361 2.386,362 5.336,363 3.102,364 2.17,365 2.789,367 6.689,368 2.011,369 3.255,370 2.212,371 4.795,372 2.806,373 1.948,374 2.468,376 5.379,377 1.62,378 3.046,379 1.552,380 4.504,381 2.513,382 1.547,383 2.319,385 4.244,386 1.49,387 2.92,388 1.541,389 4.125,390 2.405,391 1.459,392 2.116,394 3.651,395 1.398,396 2.528,397 1.46,398 4,399 2.395,400 1.414,401 1.542,403 3.43,404 1.334,405 2.432,406 1.408,407 3.598,408 2.34,409 1.372,410 1.429,412 2.963,413 1.32,414 2.414,415 1.035,416 3.564,417 1.988,418 1.027,419 1.414,421 2.557,422 0.981,423 1.973,424 0.497,425 3.094,426 1.428,427 0.489,428 0.721,430 1.179,431 0.458,432 1.291,433 0.355,434 2.948,435 1.131,436 0.188,437 0.2,439 0.459,440 0.177,441 0.954,442 0.206,443 2.556,444 0.547,445 -0.366,446 -0.432,448 -0.932,449 -0.244,450 0.841,451 -0.251,452 2.284,453 0.407,454 -0.438,455 -0.526,457 -1.114,458 -0.388,459 0.672,460 -0.605,461 2,462 0.255,463 -0.664,464 -0.805,466 -1.693,467 -0.604,468 11.614,469 0.484,470 0.554,471 0.023,472 31,473 1.292,474 14.5,475 0.604,476 16.5,477 0.688,478 20.091,479 0.837,480 25.586,481 0.595,482 19.936,483 0.831,484 5.585,485 0.233,486 6.119,487 0.255,488 0.096,490 0.344,496 0.94,497 1.336,498 0.648,499 0.919,500 0.937,501 0.86,502 0.602,503 1.15,504 0.697,505 1.049,506 0.576,507 1.01,508 0.918,509 1.125,510 0.786,511 0.947,512 0.87,513 0.935,514 0.951,515 0.994,516 0.757,517 0.854,518 0.961,519 0.874,520 1.05,521 0.882,522 0.836,523 0.757,524 0.963,525 0.785,526 1.452,527 0.942,528 1.217,529 0.842,530 1.378,531 0.846,532 1.458,533 0.965,534 1.817,535 1.298,536 1.396,537 1.229,538 1.421,539 1.111,540 1.916,541 1.485,542 1.466,543 1.37,544 4.5,545 0.037,546 2.444,547 1.757,548 1.183,549 0.451,550 0.617,551 0.278,552 0.183,553 0.108,554 6472,555 16187,556 2.161,557 44.2,558 4,559 5,560 1,561 1,562 4,564 4,567 1.671,568 2.057,569 3.206,570 1.819,571 1,572 1,574 1,577 67.622,578 1.573,579 3.744,580 4.571,581 4.961,582 5.101,583 5.194,584 2.654,585 4.252,586 4.56,587 3.339,588 921.461,589 7.878,590 10635.6,592 1,594 1,595 233.329,596 1.281,597 4.532,598 0.167,599 0.003,600 0.064,601 0.047,602 0.036,603 0.015,604 0.02,605 0.011,606 0.009,607 0.007,608 0.379,609 0.33,610 1,611 0.49,612 112.929,613 -0.134,614 -0.099,615 0.014,616 0.039,617 -0.113,618 0.057,619 0.223,620 -0.009,621 0.037,622 -0.087,623 0.206,624 -0.068,625 -0.031,626 -0.132,627 0.05,628 0.004,629 0.031,630 0.033,631 0.04,632 -0.019,633 0.111,634 0.067,635 0.023,636 0.077,637 0.012,638 0.079,639 0.131,640 0.182,641 0.062,642 0.173,643 -0.1,644 0.093,645 0.031,646 0.129,647 -0.146,648 0.083,649 -0.066,650 0.052,651 -0.26,652 -0.211,653 -0.042,654 -0.248,655 -0.275,656 -0.184,657 -0.431,658 -0.357,659 -0.292,660 -0.33,661 1.259,662 2.208,663 0.875,664 18.042,665 1.003,666 1.136,667 2.659,668 7.07,669 0.68,670 3.332,671 3.664,672 3.951,673 4.248,674 4.454,675 4.511,676 4.644,677 4.787,678 4.812,679 4.875,680 5.592,681 0.643,682 342.87,683 3.332,684 4.875,685 5.733,686 6.619,687 7.493,688 8.384,689 9.264,690 10.158,691 11.042,692 11.937,693 14,694 1,698 1,701 1,703 3,708 2,709 5,710 3,711 1,714 4,716 16,728 1,734 1,735 43,737 16,739 27,741 46,742 17,743 11,748 4,749 5,750 1,757 6,760 6,762 11,763 6,779 1,780 1,783 19,784 5,785 4,786 7,787 1,792 6,797 0.75,809 1,810 1,811 1,815 1,816 3,819 1,836 1,843 3,848 1,851 24,852 1,858 4,860 1,863 2,873 1,881 11.667,882 7.41,883 5.194,884 2.693,886 3.213,887 1.435,888 1.02,889 4.293,890 10.598,891 3.584,892 4.201,893 4.819,894 5.461,895 5.991,896 6.347,897 6.798,898 7.255,899 7.466,900 7.832,901 1,902 37,903 8.854,905 3.826,906 7.616,907 17.171,909 14.589,911 2.116,912 50.778,915 1,916 176.567,917 71.863,918 118.05,919 39.149,923 71.863,924 215.715,925 118.05,927 43.035,928 37.476,929 81.854,930 34.348,931 55.891,932 153.024,934 176.567,935 189.913,937 39.149,939 129.482,940 47.084,943 75.239,944 46.306,945 68.367,946 39.149,947 176.567,948 118.05,949 111.012,952 176.567,953 25.34,954 46.524,955 34.796,956 122.402,957 176.567,958 118.05,959 111.012,961 0.582,962 0.341,963 0.193,964 0.104,965 20,966 8,967 0.065,968 3,969 1,970 1.095,971 3.651,972 202.375,973 0.095,974 21,975 110.039,981 15.67,982 6.575,983 3.221,984 1.832,985 101.265,986 9.333,987 13.271,988 3.159,991 2.655,993 67.693,994 405.628,995 35,1007 43.12,1008 48.84,1009 0.29,1010 0.69,1011 0.842,1012 0.914,1013 0.94,1014 0.957,1015 4.82,1016 1.414,1017 5.714,1018 3.651,1019 4.344,1020 4.887,1021 0.278,1022 6.526,1023 4.233,1024 6.019,1025 1.372,1026 7.268,1027 3.43,1028 3.892,1029 4.677,1031 7.402,1032 3.704,1033 7.323,1034 1.027,1035 8.921,1036 2.963,1037 5.932,1038 7.113,1039 0.05,1040 10.527,1041 5.737,1042 8.664,1043 0.489,1044 10.636,1045 2.557,1046 6.312,1047 7.786,1049 12.261,1050 6.07,1051 10.04,1052 0.188,1053 12.389,1054 1.179,1055 7.812,1056 9.684,1057 0.008,1058 14.888,1059 7.554,1060 11.443,1061 -0.366,1062 14.171,1063 0.459,1064 8.587,1065 10.789,1067 16.984,1068 8.301,1069 12.866,1070 -0.438,1071 15.973,1072 -0.932,1073 9.862,1074 12.457,1075 0.001,1076 19.442,1077 9.554,1078 3.168,1079 -0.664,1080 17.79,1081 -1.114,1082 10.825,1083 13.773,1085 21.696,1086 10.495,1087 2.86,1088 10.928,1089 19.62,1090 -1.693,1091 12.007,1092 15.342,1094 24.097,1095 11.655,1096 2.648,1097 8.826,1098 21.46,1099 4.535,1100 13.058,1101 16.758,1103 26.421,1104 12.685,1105 2.17,1106 8.125,1107 23.308,1108 3.816,1109 14.204,1110 18.287,1112 28.807,1113 13.81,1114 1.948,1115 6.689,1116 25.163,1117 2.974,1118 15.297,1119 19.75,1121 31.164,1122 14.882,1123 1.547,1124 5.379,1125 27.023,1126 2.789,1127 16.431,1128 21.262,1130 33.547,1131 15.996,1132 1.459,1133 4.244,1134 28.889,1135 2.468,1136 17.545,1137 22.748,1139 35.919,1140 17.09,1141 6073,1142 9780,1143 18.493,1144 29.222,1145 40.798,1146 40.852,1147 41.611,1148 40.795,1149 40.581,1150 52.648,1151 0.8,1152 116.859,1153 38.131,1154 5.601,1155 5.208,1156 6.402,1157 5.216,1158 5.168,1159 7.535,1160 0.8,1161 18.11,1162 5.088,1163 8.56,1164 1.511,1165 1.513,1166 1.541,1167 1.511,1168 1.503,1169 1.95,1170 0.03,1171 4.328,1172 1.412,1173 4.125,1174 4.165,1175 4.113,1176 4.014,1177 5.143,1178 4.029,1179 3.904,1180 3.965,1181 3.919,1182 3.765,1183 5.013,1184 3.762,1185 3.748,1186 3.797,1187 3.739,1188 3.606,1189 4.991,1190 3.619,1191 3.368,1192 3.433,1193 3.352,1194 3.218,1195 4.502,1196 3.223,1197 3.232,1198 3.33,1199 3.229,1200 3.029,1201 4.339,1202 3.025,1203 3.179,1204 3.27,1205 3.02,1206 2.979,1207 4.141,1208 2.964,1209 2.879,1210 2.961,1211 2.962,1212 2.667,1213 3.938,1214 2.693,1215 2.832,1216 2.914,1217 2.753,1218 2.617,1219 3.766,1220 2.624,1221 0.17,1222 0.119,1223 0.249,1224 0.153,1225 0.117,1226 4.601,1227 0.168,1228 3.208,1229 0.015,1230 6.714,1231 0.405,1232 4.142,1233 0.114,1234 3.168,1235 4.535,1236 0.4,1237 10.928,1238 3.088,1239 1.911,1240 1.879,1241 2.085,1242 2.059,1243 1.464,1244 2.067,1245 1.868,1246 1.816,1247 1.967,1248 2.001,1249 1.082,1250 1.995,1251 1.72,1252 1.676,1253 1.791,1254 1.901,1255 0.845,1256 1.88,1257 1.386,1258 1.322,1259 1.545,1260 1.622,1261 0.8,1262 1.608,1263 1.213,1264 1.127,1265 1.524,1266 1.487,1267 0.768,1268 1.506,1269 1.178,1270 1.092,1271 1.46,1272 1.409,1273 0.495,1274 1.438,1275 1,1276 0.952,1277 1.166,1278 1.16,1279 0.274,1280 1.172,1281 0.776,1282 0.689,1283 1.081,1284 1.078,1285 0.069,1286 1.097,1287 4.007,1289 5.333,1290 2.398,1291 6.855,1292 4.727,1293 8.468,1294 6.843,1295 10.124,1298 6.224,1301 6.208,1303 4.416,1305 3.364,1308 0.316,1314 27.644,1315 67.622,1316 160.991,1317 196.574,1318 213.329,1319 219.329,1320 223.329,1321 32.617,1322 7.385,1323 92.51,1324 92.51,1325 23,1326 12.465,1327 4.087,1328 3.17,1329 33.777,1330 81,1331 72,1332 0.207,1333 172.874,1334 283.25,1335 413.571,1336 16016,1337 2.3,1338 16.518,1339 0.688,1340 0.58,1341 17.018,1342 13.923,1343 11.704,1344 0.433,1345 0.318,1346 8.134,1347 11.056,1348 7.983,1349 6.587,1350 11.992,1351 8.575,1352 10.646,1353 0.28,1354 0.173,1355 11.054,1356 6.588,1357 8.996,1358 0.176,1359 0.093,1360 9.232,1361 4.749,1362 7.88,1363 0.114,1364 0.05,1365 8.198,1366 3.476,1367 6.27,1368 0.074,1369 0.028,1370 6.502,1371 2.363,1372 0.318,1373 75.818,1374 0.233,1375 23.182,1376 0.583,1377 130,1378 335.117,1379 157.021,1380 362.868,1381 499.8,1382 340,1383 154,1384 360.539,1385 174.777,1386 375.051,1387 553.59,1388 355,1389 6.8}
{0 CHEMBL1994526,1 1.432,2 8.556,3 1.108,4 1.227,5 70.661,6 6.343,7 0.316,8 3.722,9 3.873,10 3.134,11 3.225,12 4.724,13 3.172,14 4.293,15 4.498,16 3.45,17 3.639,18 5.206,19 3.54,20 4.654,21 4.915,22 3.478,23 3.798,24 5.509,25 3.655,26 4.723,27 5.017,28 3.326,29 3.717,30 5.605,31 3.543,32 4.6,33 4.913,34 3.126,35 3.538,36 5.473,37 3.361,38 4.299,39 4.588,40 3.019,41 3.374,42 5.173,43 3.209,44 4.135,45 4.402,46 2.933,47 3.249,48 5.138,49 3.09,50 4.072,51 4.373,52 2.54,53 3.017,54 4.966,55 2.841,56 0.048,57 0.57,58 9.402,59 3.554,60 8.953,61 5.319,62 0.137,63 0.899,64 16.744,65 6.19,66 20.298,67 9.343,68 0.208,69 1.109,70 24.209,71 7.977,72 30.872,73 12.408,74 0.302,75 1.057,76 26.146,77 8.081,78 44.101,79 12.617,80 0.294,81 0.874,82 23.122,83 6.931,84 49.688,85 10.85,86 0.208,87 0.704,88 16.851,89 5.76,90 33.798,91 8.719,92 0.181,93 0.637,94 14.336,95 4.878,96 32.968,97 7.442,98 0.215,99 0.537,100 13.76,101 3.568,102 31.816,103 5.97,104 11,105 25,106 0.262,107 0.602,108 0.767,109 0.805,110 0.805,111 0.805,112 2.959,113 1.047,114 -2.55,115 -2.57,116 -2.51,119 35.9,120 1,121 4,122 2,127 1,142 2,144 1,145 2,158 1,163 1,164 1,165 1,172 6,175 3,178 1,180 5,183 8,185 2,188 2,193 4,196 5,198 2,200 4,203 1,205 4,208 4,210 2,213 1,218 2,221 5,223 1,224 1,225 1,233 4,238 3,240 1,241 1,242 1,243 1,245 1,246 2,250 2,264 1,269 2,272 2,274 2,276 364,277 11.983,278 11.983,279 11.983,280 11.983,281 11.983,282 11.102,283 12.427,284 7.23,285 12.113,286 9.362,287 9.362,288 9.362,289 9.362,290 9.362,291 8.071,292 15.179,293 3.429,294 9.543,295 3.854,296 2.001,297 1.096,298 0.891,299 0.891,300 0.891,301 3.614,305 1,306 1,307 318,308 2.915,312 126.226,319 1.444,320 16.837,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 38.5,332 154,333 4.057,334 3.714,335 6.083,336 3.885,337 2.886,338 3.491,339 1.907,340 8.786,341 2.879,342 3.813,343 2.786,344 5.874,345 3.643,346 2.657,347 3.048,348 0.149,349 8.033,350 2.617,351 3.637,352 2.552,353 5.317,354 3.376,355 2.392,356 2.688,358 6.849,359 2.347,360 2.921,361 2.071,362 4.189,363 2.588,364 1.614,365 2.067,367 3.834,368 1.567,369 2.671,370 1.519,371 3.714,372 2.319,373 1.366,374 1.642,376 3.007,377 1.294,378 2.5,379 1.318,380 3.502,381 2,382 1,383 1.5,385 2.484,386 1,387 2.117,388 1,389 3.414,390 1.996,391 1,392 1.077,394 2.275,395 0.99,396 2,397 1,398 3.247,399 1.984,400 1,401 1,403 2.136,404 0.983,405 1.177,406 0.469,407 2.619,408 0.795,409 -0.179,410 -0.216,412 -0.435,413 -0.173,414 0.607,415 -0.148,416 2,417 0.483,418 -0.541,419 -0.603,421 -1.222,422 -0.549,423 0.5,424 -0.686,425 1.926,426 0.006,427 -1,428 -1,430 -2,431 -0.946,432 0.439,433 -0.813,434 1.65,436 -1,437 -1,439 -2.258,440 -0.948,442 -1,443 1.555,444 -0.049,445 -1,446 -1.409,448 -2.347,449 -1,451 -1,452 1.24,453 -0.051,454 -1,455 -1.5,457 -3,458 -1.003,459 -0.333,460 -1.18,461 1,462 -0.487,463 -1.504,464 -1.663,466 -4.453,467 -1.537,468 8.533,469 0.474,470 0.421,471 0.023,472 19,473 1.056,474 8,475 0.444,476 11,477 0.611,478 16.041,479 0.891,480 20.867,481 0.535,482 10.746,483 0.597,484 3.219,485 0.179,486 5.446,487 0.303,488 0.145,490 0.293,496 0.832,497 1.353,498 0.982,499 1.181,500 0.713,501 1.102,502 0.605,503 1.325,504 0.995,505 1.255,506 0.547,507 1.183,508 0.991,509 1.137,510 1.053,511 1.128,512 0.956,513 1.1,514 1.166,515 0.948,516 1.027,517 1.006,518 1.225,519 1.004,520 1.363,521 0.72,522 0.92,523 0.753,524 1.515,525 0.786,526 0.857,527 0.871,528 0.853,529 0.906,530 1.064,531 0.895,532 0.675,533 1.125,534 0.996,535 1.184,536 0.691,537 1.143,538 1.773,539 0.812,540 1.245,541 0.801,542 1.705,543 0.937,544 3.5,545 0.037,546 2,547 0.938,548 0.773,549 0.507,550 0.203,551 0.111,552 0.131,553 0.07,554 2819,555 6351,556 1.994,557 53.8,558 8,559 3,561 2,562 3,563 1,564 4,567 1.582,568 1.862,569 3.115,570 1.142,572 1,574 1,577 55.834,578 1.432,579 3.284,580 4.189,581 4.394,582 4.394,583 4.394,584 2.558,585 3.35,586 4.141,587 3.234,588 494.853,589 7.004,590 4741.94,591 1,592 1,595 206.131,596 1.415,597 4.096,598 0.184,599 0.007,600 0.08,601 0.039,602 0.041,603 0.032,604 0.014,605 0.009,606 0.016,607 0.01,608 0.432,609 0.67,610 1,611 0.894,612 77.404,613 -0.075,614 -0.005,615 0.017,616 0.04,617 -0.05,618 0.042,619 0.108,620 -0.143,621 -0.027,622 -0.116,623 0.082,624 -0.093,625 -0.073,626 -0.114,627 -0.081,628 -0.114,629 -0.048,630 -0.099,631 -0.048,632 -0.034,633 -0.046,634 -0.07,635 -0.044,636 -0.059,637 -0.114,638 0.12,639 0.067,640 0.147,641 -0.103,642 0.133,643 0.104,644 0.031,645 0.105,646 0.082,647 0.019,648 0.089,649 0.209,650 -0.137,651 -0.034,652 -0.175,653 0.195,654 -0.145,655 -0.338,656 0.104,657 -0.223,658 0.056,659 -0.287,660 -0.054,661 1.538,662 5.081,663 0.667,664 13.136,665 0.989,666 1.14,667 1.32,668 1.743,669 0.624,670 2.996,671 3.258,672 3.434,673 3.555,674 3.714,675 3.664,676 3.664,677 3.434,678 3.497,679 3.367,680 5.137,681 0.577,682 247.38,683 2.996,684 4.489,685 5.293,686 6.125,687 6.946,688 7.781,689 8.608,690 9.445,691 10.274,692 11.112,693 7.7,694 1,700 1,703 1,709 4,710 1,714 1,716 6,735 39,737 7,739 19,741 40,742 14,743 5,748 2,749 2,754 1,757 4,758 2,760 5,762 6,763 8,764 2,767 1,772 1,776 1,780 1,783 21,784 4,785 3,786 4,792 3,797 1,798 1,809 1,816 2,829 1,836 1,843 2,847 1,851 18,852 1,858 4,860 1,863 3,874 2.6,877 1,881 9.667,882 6.783,883 4.056,884 2.494,886 1.065,887 1.179,888 0.925,889 4.454,890 7.029,891 3.178,892 3.597,893 3.946,894 4.299,895 4.672,896 4.472,897 4.616,898 4.676,899 4.616,900 4.66,901 0.833,902 24,903 6.686,905 2.774,906 7.713,907 13.037,909 10.812,911 2.213,912 39.833,913 0.002,916 211.88,917 63.472,918 67.693,920 25.145,923 63.472,924 237.025,925 67.693,926 8.825,927 61.046,928 18.952,929 70.177,930 20.852,932 188.338,934 211.88,935 131.166,936 25.145,939 164.795,940 72.229,943 87.966,944 26.414,945 16.786,947 211.88,948 92.838,949 63.472,952 211.88,953 17.6,954 45.873,955 18.011,956 74.828,957 211.88,958 92.838,959 63.472,961 0.573,962 0.322,963 0.155,964 0.081,965 11,966 5,967 0.075,968 3,970 1,971 3.084,972 118.432,974 12,975 67.059,981 13.191,982 6.077,983 3.621,985 92.838,986 6.988,987 3.929,991 0.823,993 50.908,994 368.19,995 23,1000 12.081,1004 0.129,1007 38.585,1008 44.441,1009 0.271,1010 0.621,1011 0.793,1012 0.831,1013 0.831,1014 0.831,1015 4.388,1016 1,1017 5.252,1018 2.275,1019 3.932,1020 4.277,1021 1.953,1022 5.974,1023 3.9,1024 5.514,1025 -0.179,1026 6.765,1027 2.136,1028 3.434,1029 3.795,1030 1.593,1031 6.727,1032 3.41,1033 6.759,1034 -0.541,1035 8.378,1036 -0.435,1037 5.442,1038 6.16,1039 2.904,1040 9.735,1041 5.389,1042 8.028,1043 -1,1044 10.049,1045 -1.222,1046 5.74,1047 6.402,1048 3.032,1049 11.284,1050 5.702,1051 9.327,1052 -1,1053 11.756,1054 -2,1055 7.223,1056 8.317,1057 4.037,1058 13.775,1059 7.157,1060 10.644,1061 -1,1062 13.485,1063 -2.258,1064 7.886,1065 8.891,1066 4.409,1067 15.644,1068 7.834,1069 11.975,1070 -1,1071 15.231,1072 -2.347,1073 9.134,1074 10.602,1075 5.25,1076 17.938,1077 9.06,1078 2.886,1079 -1.504,1080 16.987,1081 -3,1082 9.978,1083 11.361,1084 5.75,1085 19.95,1086 9.914,1087 2.657,1088 8.786,1089 18.751,1090 -4.453,1091 11.113,1092 12.954,1093 6.501,1094 22.163,1095 11.034,1096 2.392,1097 8.033,1098 20.52,1099 3.491,1100 12.05,1101 13.833,1102 7.068,1103 24.245,1104 11.977,1105 1.614,1106 6.849,1107 22.294,1108 3.048,1109 13.133,1110 15.344,1111 7.771,1112 26.423,1113 13.05,1114 1.366,1115 3.834,1116 24.07,1117 2.688,1118 14.118,1119 16.312,1120 8.374,1121 28.541,1122 14.039,1123 1,1124 3.007,1125 25.849,1126 2.067,1127 15.178,1128 17.762,1129 9.051,1130 30.705,1131 15.092,1132 1,1133 2.484,1134 27.631,1135 1.642,1136 16.19,1137 18.796,1138 9.674,1139 32.842,1140 16.105,1141 2867,1142 4391,1143 12.425,1144 24.324,1145 28.065,1146 28.804,1147 28.576,1148 27.833,1149 27.831,1150 33.024,1151 4.112,1152 74.806,1153 27.352,1154 5.057,1155 5.714,1156 5.885,1157 4.92,1158 4.886,1159 6.491,1160 3.306,1161 14.982,1162 4.879,1163 8.763,1164 1.477,1165 1.516,1166 1.504,1167 1.465,1168 1.465,1169 1.738,1170 0.216,1171 3.937,1172 1.44,1173 3.957,1174 4.006,1175 3.867,1176 3.84,1177 7.428,1178 3.836,1179 3.838,1180 3.888,1181 3.748,1182 3.724,1183 5.008,1184 3.726,1185 3.55,1186 3.617,1187 3.431,1188 3.374,1189 4.908,1190 3.375,1191 3.237,1192 3.306,1193 3.094,1194 2.981,1195 4.215,1196 2.997,1197 3.111,1198 3.206,1199 2.866,1200 2.941,1201 4.012,1202 2.91,1203 2.854,1204 2.955,1205 2.687,1206 2.735,1207 3.737,1208 2.715,1209 2.849,1210 2.925,1211 2.674,1212 2.612,1213 3.674,1214 2.616,1215 2.724,1216 2.885,1217 2.435,1218 2.343,1219 3.474,1220 2.354,1221 0.214,1222 0.195,1223 0.32,1224 0.204,1225 0.152,1226 4.057,1227 0.184,1228 3.714,1229 0.1,1230 6.083,1231 0.462,1232 3.885,1233 0.152,1234 2.886,1235 3.491,1236 1.907,1237 8.786,1238 2.879,1239 1.924,1240 1.878,1241 2.118,1242 2.067,1243 1.522,1244 2.085,1245 1.813,1246 1.771,1247 1.933,1248 1.96,1249 1.038,1250 1.957,1251 1.525,1252 1.461,1253 1.786,1254 1.743,1255 0.938,1256 1.759,1257 1.162,1258 1.096,1259 1.513,1260 1.451,1261 0.825,1262 1.436,1263 1.153,1264 1.064,1265 1.426,1266 1.376,1267 0.636,1268 1.429,1269 0.886,1270 0.821,1271 1.181,1272 1.156,1273 0.218,1274 1.188,1275 0.826,1276 0.728,1277 1.179,1278 1.085,1279 0.118,1280 1.107,1281 0.673,1282 0.517,1283 1.083,1284 1.062,1285 0.008,1286 1.103,1287 3.664,1289 4.934,1291 6.402,1293 7.947,1295 9.528,1297 2.058,1301 5.905,1303 4.018,1305 2.945,1308 0.956,1314 22.52,1315 55.834,1316 128.073,1317 163.376,1318 171.376,1319 171.376,1320 171.376,1321 34.222,1322 5.964,1323 68.01,1324 68.01,1325 12,1326 11.681,1327 3,1328 2.322,1329 31.165,1330 55,1331 46,1332 0.283,1333 142.946,1334 246.37,1335 340.548,1336 2457,1338 12.958,1339 0.72,1340 0.6,1341 12.958,1342 10.803,1343 8.665,1344 0.456,1345 0.349,1346 6.571,1347 8.416,1348 6.401,1349 5.348,1350 8.665,1351 6.63,1352 7.636,1353 0.305,1354 0.208,1355 7.636,1356 5.196,1357 5.994,1358 0.2,1359 0.128,1360 5.994,1361 3.834,1362 4.522,1363 0.133,1364 0.076,1365 4.522,1366 2.587,1367 3.36,1368 0.084,1369 0.045,1370 3.36,1371 1.807,1372 0.442,1373 53.762,1374 0.284,1375 18.357,1376 0.773,1377 88,1378 217.026,1379 94.683,1380 213.135,1381 284.11,1382 198,1383 99,1384 201.636,1385 105.157,1386 205.206,1387 291.89,1388 193,1389 5.1}
{0 CHEMBL1994538,1 1.905,2 9.583,3 1.889,4 3.57,5 78.386,6 9.803,7 0.654,8 3.689,9 3.796,10 3.454,11 3.186,12 5.038,13 3.248,14 4.182,15 4.314,16 3.902,17 3.523,18 6.064,19 3.584,20 4.327,21 4.495,22 3.856,23 3.611,24 5.725,25 3.657,26 4.384,27 4.562,28 3.9,29 3.539,30 5.991,31 3.607,32 4.346,33 4.522,34 3.801,35 3.424,36 5.945,37 3.511,38 4.249,39 4.454,40 3.587,41 3.239,42 5.854,43 3.305,44 4.01,45 4.213,46 3.334,47 3.116,48 5.438,49 3.165,50 3.887,51 4.053,52 3.458,53 3.059,54 5.849,55 3.106,56 0.254,57 0.778,58 3.155,59 2.596,60 34.642,61 2.305,62 0.883,63 1.474,64 7.185,65 4.262,66 132.666,67 3.829,68 0.631,69 1.258,70 10.023,71 4.945,72 76.768,73 4.842,74 0.849,75 1.356,76 12.04,77 5.364,78 101.766,79 5.281,80 0.845,81 1.273,82 12.237,83 5.287,84 109.451,85 4.753,86 0.95,87 1.004,88 14.021,89 4.628,90 118.629,91 4.455,92 0.695,93 0.808,94 11.104,95 3.845,96 107.667,97 3.599,98 0.717,99 0.713,100 7.429,101 2.905,102 108.303,103 3.109,104 18,105 37,106 0.346,107 0.638,108 0.791,109 0.888,110 0.898,111 0.898,112 3.229,113 0.778,114 -2.97,115 -2.97,116 -2.87,119 44.1,132 1,142 4,143 2,144 1,145 4,146 1,147 1,159 1,172 4,175 3,178 3,179 1,180 2,183 5,187 1,188 2,191 1,193 1,196 3,199 1,200 3,203 2,205 4,208 2,212 1,213 1,216 1,218 2,221 1,224 1,225 4,228 1,230 2,238 4,243 1,249 1,250 3,263 1,264 3,276 804,277 15.817,278 15.817,279 15.817,280 15.817,281 15.817,282 13.67,283 16.178,284 9.38,285 16.357,286 12.876,287 12.876,288 12.876,289 12.876,290 12.876,291 9.683,292 22.484,293 4.468,294 13.806,295 3.182,296 1.574,297 0.728,298 0.199,299 0.14,300 0.14,301 3.907,304 1,305 1,306 1,307 488,308 3.674,312 196.22,316 102.096,319 1.451,320 45.122,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 56,332 230,333 4.696,334 4.47,335 7.295,336 4.319,337 3.417,338 4.572,339 3.825,340 12.505,341 3.155,342 4.206,343 3.569,344 6.47,345 3.86,346 2.935,347 3.549,348 1.656,349 9.972,350 2.669,351 3.954,352 3.049,353 5.54,354 3.546,355 2.608,356 3.465,357 0.247,358 7.472,359 2.434,360 3.579,361 2.537,362 5.366,363 3.159,364 2.219,365 2.819,367 6.708,368 2.065,369 3.288,370 2.271,371 4.787,372 2.835,373 1.877,374 2.502,376 5.236,377 1.756,378 3.118,379 1.618,380 4.303,381 2.586,382 1.618,383 2.427,385 3.781,386 1.562,387 2.854,388 1.519,389 4.079,390 2.352,391 1.405,392 1.993,394 3.556,395 1.324,396 2.774,397 1.438,398 3.574,399 2.276,400 1.293,401 1.902,403 2.985,404 1.264,405 2.5,406 1.155,407 3.45,408 1.953,409 1,410 1.5,412 2.352,413 0.942,414 2.421,415 1,416 3.247,417 1.915,418 1,419 1.384,421 2.136,422 0.914,423 1.372,424 0.61,425 2.965,426 1.006,427 0.074,428 0.09,430 0.198,431 0.069,432 1.177,433 0.51,434 2.716,435 0.744,436 -0.229,437 -0.304,439 -0.551,440 -0.219,441 0.882,442 0.51,443 2.423,444 0.417,445 -0.574,446 -0.774,448 -1.476,449 -0.558,450 0.852,451 0.28,452 2.314,453 0.358,454 -0.618,455 -0.927,457 -1.599,458 -0.605,459 0.516,460 -0.213,461 2.12,462 0.016,463 -1,464 -1,466 -2.249,467 -0.7,468 10.69,469 0.445,470 0.723,471 0.03,472 35,473 1.458,474 18.5,475 0.771,476 16.5,477 0.688,478 14.578,479 0.607,480 25.91,481 0.762,482 27.343,483 1.139,484 7.278,485 0.303,486 4.17,487 0.174,488 0.111,489 0.047,490 0.281,493 3,496 0.648,497 1.042,498 0.564,499 0.997,500 0.61,501 0.821,502 0.436,503 0.758,504 0.662,505 0.925,506 0.41,507 0.938,508 0.771,509 0.914,510 0.857,511 0.993,512 0.692,513 0.976,514 0.951,515 1.009,516 0.943,517 1.089,518 0.957,519 1.049,520 1.243,521 1.225,522 1.076,523 1.197,524 1.227,525 1.094,526 1.279,527 0.892,528 1.229,529 0.893,530 1.384,531 0.979,532 1.352,533 1.003,534 1.232,535 0.842,536 1.364,537 0.893,538 0.423,539 0.662,540 0.794,541 0.82,542 0.446,543 0.97,544 5.5,545 0.099,546 2.667,547 2.063,548 1.396,549 0.868,550 0.526,551 0.297,552 0.132,553 0.158,554 6070,555 25583,556 2.03,557 29.4,559 4,561 4,562 2,567 1.67,568 1.882,569 3.223,570 0.42,572 1,574 1,577 64.787,578 1.905,579 3.514,580 4.359,581 4.889,582 4.948,583 4.948,584 2.685,585 3.97,586 4.557,587 3.394,588 936.821,589 7.868,590 10905.6,591 1,592 1,594 1,595 172.974,596 1.601,597 4.498,598 0.212,599 0.008,600 0.072,601 0.056,602 0.039,603 0.027,604 0.021,605 0.014,606 0.006,607 0.01,608 0.464,609 0.5,610 1,611 0.813,612 113.527,613 -0.091,614 -0.151,615 -0.003,616 -0.053,617 -0.107,618 0.009,619 0.41,620 0.275,621 0.058,622 0.024,623 0.404,624 -0.111,625 -0.104,626 -0.125,627 -0.039,628 -0.071,629 -0.056,630 -0.03,631 -0.012,632 -0.048,633 -0.003,634 -0.131,635 -0.024,636 -0.098,637 -0.215,638 -0.282,639 -0.079,640 -0.229,641 -0.155,642 -0.126,643 -0.141,644 0.059,645 -0.103,646 0.075,647 -0.193,648 0.033,649 -0.319,650 -0.063,651 -0.153,652 0.153,653 -0.3,654 0.149,655 0.508,656 0.235,657 0.133,658 0.105,659 0.494,660 -0.052,661 5.785,662 5.045,663 0.667,664 18.75,665 1.056,666 1.158,667 1.741,668 3.032,669 0.687,670 3.296,671 3.638,672 3.85,673 4.127,674 4.331,675 4.304,676 4.407,677 4.5,678 4.466,679 4.466,680 5.779,681 0.708,682 333.3,683 3.296,684 4.844,685 5.68,686 6.572,687 7.431,688 8.326,689 9.195,690 10.092,691 10.967,692 11.866,693 14.7,700 2,703 3,708 2,709 8,710 3,714 3,716 17,735 34,737 18,738 1,739 26,741 36,742 15,743 13,744 3,745 3,748 3,749 4,753 1,754 1,759 1,762 14,763 1,767 1,772 1,776 1,779 1,780 1,781 3,783 10,784 9,785 2,786 9,792 5,797 0.667,798 1,806 1,809 1,816 3,820 1,843 2,849 3,851 24,860 2,865 1,873 3,874 2.9,877 1,881 12.75,882 6.112,883 5.167,884 1.793,886 3.326,887 1.474,888 1.007,889 4.217,890 10.338,891 3.597,892 4.22,893 4.796,894 5.425,895 5.988,896 6.18,897 6.57,898 6.928,899 7.185,900 7.205,901 1,902 37,903 9.323,905 4.501,906 8.51,907 15.634,909 12.412,911 3.01,912 72.25,916 94.169,917 99.117,918 86.378,920 25.145,921 44.88,923 99.117,924 119.314,925 131.258,927 36.022,928 37.905,929 122.586,930 91.729,931 6.604,932 47.084,933 7.76,934 94.169,935 185.495,936 70.025,939 94.169,940 70.025,943 82.115,944 53.024,945 50.357,947 139.049,948 111.523,949 99.117,952 101.928,953 17.263,954 74.095,955 36.022,956 120.382,957 94.169,958 156.403,959 99.117,961 0.586,962 0.326,963 0.181,964 0.099,965 18,966 8,967 0.056,968 2,969 1,970 1.125,971 3.538,972 193.994,973 0.125,974 16,975 105.284,981 16.004,982 6.324,983 3.567,984 -0.052,985 156.403,986 10.457,987 11.452,991 -0.449,993 36.022,994 349.69,995 35.5,1000 11.975,1004 -0.652,1007 35.909,1008 39.381,1009 0.375,1010 0.691,1011 0.857,1012 0.961,1013 0.973,1014 0.973,1015 4.83,1016 1.293,1017 5.707,1018 3.556,1019 4.317,1020 4.905,1021 3.244,1022 6.564,1023 4.187,1024 6.067,1025 1,1026 7.299,1027 2.985,1028 4.111,1029 4.771,1030 3.949,1031 7.781,1032 3.815,1033 7.395,1034 1,1035 9.011,1036 2.352,1037 5.999,1038 7.151,1039 5.464,1040 10.826,1041 5.718,1042 8.76,1043 0.074,1044 10.798,1045 2.136,1046 6.594,1047 7.827,1048 6.701,1049 12.86,1050 6.147,1051 10.159,1052 -0.229,1053 12.633,1054 0.198,1055 8.029,1056 9.723,1057 8.065,1058 15.523,1059 7.573,1060 11.583,1061 -0.574,1062 14.503,1063 -0.551,1064 8.974,1065 10.815,1066 9.391,1067 17.854,1068 8.38,1069 13.027,1070 -0.618,1071 16.397,1072 -1.476,1073 10.249,1074 12.494,1075 10.736,1076 20.41,1077 9.615,1078 3.417,1079 -1,1080 18.309,1081 -1.599,1082 11.345,1083 13.802,1084 12.075,1085 22.852,1086 10.599,1087 2.935,1088 12.505,1089 20.234,1090 -2.249,1091 12.567,1092 15.384,1093 13.417,1094 25.378,1095 11.762,1096 2.608,1097 9.972,1098 22.171,1099 4.572,1100 13.728,1101 16.801,1102 14.758,1103 27.864,1104 12.829,1105 2.219,1106 7.472,1107 24.116,1108 3.549,1109 14.938,1110 18.342,1111 16.1,1112 30.384,1113 13.968,1114 1.877,1115 6.708,1116 26.067,1117 3.465,1118 16.128,1119 19.812,1120 17.441,1121 32.89,1122 15.073,1123 1.618,1124 5.236,1125 28.024,1126 2.819,1127 17.338,1128 21.337,1129 18.783,1130 35.409,1131 16.208,1132 1.405,1133 3.781,1134 29.986,1135 2.502,1136 18.543,1137 22.832,1138 20.124,1139 37.924,1140 17.331,1141 5956,1142 12380,1143 16.989,1144 23.341,1145 39.488,1146 39.303,1147 39.539,1148 39.052,1149 38.891,1150 52.403,1151 11.457,1152 113.8,1153 36.307,1154 5.563,1155 6.47,1156 7.097,1157 5.388,1158 5.417,1159 7.572,1160 5.335,1161 20.345,1162 5.155,1163 12.066,1164 1.519,1165 1.512,1166 1.521,1167 1.502,1168 1.496,1169 2.016,1170 0.441,1171 4.377,1172 1.396,1173 4.09,1174 4.117,1175 4.064,1176 4.011,1177 8.513,1178 4.019,1179 3.835,1180 3.894,1181 3.791,1182 3.638,1183 7.999,1184 3.669,1185 3.572,1186 3.615,1187 3.547,1188 3.41,1189 7.999,1190 3.424,1191 3.354,1192 3.403,1193 3.324,1194 3.083,1195 7.431,1196 3.127,1197 3.285,1198 3.335,1199 3.228,1200 3.017,1201 5.01,1202 3.068,1203 2.883,1204 2.961,1205 2.8,1206 2.686,1207 4.961,1208 2.696,1209 2.736,1210 2.801,1211 2.641,1212 2.575,1213 4.372,1214 2.566,1215 2.647,1216 2.707,1217 2.534,1218 2.426,1219 4.14,1220 2.486,1221 0.181,1222 0.172,1223 0.281,1224 0.166,1225 0.131,1226 4.696,1227 0.176,1228 4.47,1229 0.147,1230 7.295,1231 0.481,1232 4.319,1233 0.121,1234 3.417,1235 4.572,1236 3.825,1237 12.505,1238 3.155,1239 2.04,1240 2.019,1241 2.1,1242 2.135,1243 1.239,1244 2.124,1245 1.738,1246 1.682,1247 1.837,1248 1.956,1249 0.757,1250 1.925,1251 1.498,1252 1.459,1253 1.639,1254 1.694,1255 0.683,1256 1.665,1257 1.219,1258 1.168,1259 1.364,1260 1.512,1261 0.313,1262 1.474,1263 1.111,1264 1.074,1265 1.213,1266 1.418,1267 0.269,1268 1.342,1269 0.829,1270 0.767,1271 1.072,1272 1.08,1273 0.084,1274 1.079,1275 0.693,1276 0.642,1277 0.935,1278 0.927,1279 0.012,1280 0.924,1281 0.561,1282 0.495,1283 0.801,1284 0.824,1286 0.839,1287 3.97,1289 5.303,1291 6.834,1293 8.458,1295 10.133,1299 39.134,1305 4.921,1310 -4.535,1314 24.079,1315 64.787,1316 119.464,1317 148.219,1318 166.219,1319 168.219,1320 168.219,1321 52.672,1322 7.012,1323 79.8,1324 79.8,1325 18,1326 12.394,1327 4.248,1328 3.392,1329 39.253,1330 82,1331 86,1332 0.235,1333 147.691,1334 256.52,1335 352.126,1336 10009,1337 8.8,1338 17.156,1339 0.715,1340 0.5,1341 14.656,1342 12.003,1343 11.449,1344 0.44,1345 0.259,1346 6.566,1347 10.746,1348 6.528,1349 5.369,1350 10.237,1351 6.739,1352 11.003,1353 0.297,1354 0.128,1355 9.007,1356 4.728,1357 8.115,1358 0.176,1359 0.068,1360 7.361,1361 3.129,1362 7.103,1363 0.116,1364 0.035,1365 6.337,1366 2.147,1367 5.728,1368 0.076,1369 0.019,1370 5.046,1371 1.392,1372 0.364,1373 73.743,1374 0.243,1375 23.297,1376 0.655,1377 126,1378 615.67,1379 154.39,1380 513.129,1381 664.79,1382 474,1383 146,1384 463.186,1385 167.213,1386 448.201,1387 671.68,1388 420,1389 5.4}
{0 CHEMBL1994669,1 1.786,2 9.542,3 2.612,4 6.823,5 94.742,6 10.217,7 0.654,8 3.774,9 3.906,10 3.599,11 3.29,12 5.021,13 3.3,14 4.216,15 4.382,16 4.005,17 3.647,18 5.503,19 3.636,20 4.389,21 4.57,22 4.142,23 3.711,24 5.611,25 3.678,26 4.396,27 4.603,28 3.943,29 3.671,30 5.612,31 3.611,32 4.375,33 4.595,34 4.037,35 3.637,36 5.6,37 3.595,38 4.295,39 4.488,40 4.121,41 3.689,42 5.503,43 3.601,44 4.255,45 4.454,46 4.199,47 3.576,48 5.52,49 3.501,50 4.11,51 4.314,52 3.726,53 3.371,54 5.344,55 3.253,56 0.13,57 0.645,58 3.961,59 2.674,60 9.592,61 3.037,62 0.297,63 0.944,64 9.05,65 4.532,66 26.146,67 5.369,68 0.402,69 1.029,70 19.148,71 5.278,72 31.999,73 6.13,74 0.389,75 0.992,76 18.296,77 6.135,78 31.918,79 7.418,80 0.492,81 0.959,82 17.383,83 5.269,84 46.483,85 6.116,86 0.314,87 0.893,88 23.644,89 6.607,90 33.901,91 7.591,92 0.408,93 0.839,94 25.513,95 5.471,96 31.467,97 5.684,98 0.409,99 0.683,100 34.113,101 5.424,102 35.588,103 6.065,104 18,105 36,106 0.317,107 0.706,108 0.835,109 0.891,110 0.901,111 0.901,112 3.228,113 0.895,114 -3.36,115 -3.34,116 -3.2,117 1,119 39.5,124 1,142 4,143 1,144 3,145 2,147 1,150 1,151 1,158 1,163 1,164 1,165 1,166 1,172 4,174 1,175 1,177 1,178 4,180 3,183 4,185 1,188 3,191 2,193 4,196 2,198 1,200 4,203 2,204 2,205 3,207 1,210 2,212 4,213 3,218 2,221 2,223 1,224 1,225 3,227 1,228 1,230 2,233 2,238 3,241 2,243 3,246 1,248 1,249 1,250 3,252 1,253 2,254 1,255 1,257 1,264 4,276 840,277 15.947,278 15.947,279 15.947,280 15.947,281 15.947,282 13.629,283 24.93,284 9.418,285 16.38,286 12.839,287 12.839,288 12.839,289 12.839,290 12.839,291 9.434,292 43.702,293 4.495,294 13.67,295 3.462,296 1.274,297 0.546,298 0.23,299 0.178,300 0.178,301 3.906,304 1,305 1,306 1,307 485,308 2.915,311 68.196,312 159.812,319 1.58,320 22.787,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 52.25,332 229,333 4.367,334 3.54,335 6.431,336 3.988,337 3.019,338 3.995,339 0.98,340 9.88,341 2.953,342 4.214,343 3.19,344 6.067,345 3.769,346 2.837,347 3.845,348 0.4,349 8.776,350 2.621,351 4.071,352 2.862,353 5.632,354 3.614,355 2.677,356 3.691,357 0.4,358 7.79,359 2.463,360 3.532,361 2.634,362 5.16,363 3.119,364 2.208,365 2.842,367 6.38,368 2.02,369 3.352,370 2.417,371 4.898,372 2.931,373 1.949,374 2.584,376 5.271,377 1.87,378 3.035,379 1.892,380 4.542,381 2.621,382 1.681,383 2.212,385 4.688,386 1.575,387 2.961,388 1.791,389 4.179,390 2.495,391 1.554,392 2.138,394 3.779,395 1.429,396 2.755,397 1.382,398 3.712,399 2.24,400 1.303,401 1.865,403 3.063,404 1.182,405 2.532,406 1.297,407 3.466,408 2.016,409 1,410 1.475,412 2.304,413 1.01,414 2.209,415 0.806,416 3.274,417 1.661,418 0.735,419 1.073,421 1.742,422 0.678,423 1.608,424 0.689,425 2.987,426 1.174,427 0.334,428 0.41,430 0.796,431 0.237,432 1.276,433 0.292,434 2.896,435 0.923,441 0.877,442 0.073,443 2.282,444 0.468,445 -0.422,446 -0.508,448 -1.068,449 -0.314,450 0.677,451 -0.121,452 2.141,453 0.227,454 -0.701,455 -0.88,457 -1.791,458 -0.629,459 0.608,460 -0.553,461 2,462 0.129,463 -0.849,464 -1.046,466 -2,467 -0.73,468 11.967,469 0.499,470 0.647,471 0.027,472 34.75,473 1.448,474 18.5,475 0.771,476 16.25,477 0.677,478 17.093,479 0.712,480 24.633,481 0.648,482 23.812,483 0.992,484 6.876,485 0.287,486 4.648,487 0.194,488 0.214,490 0.326,496 0.893,497 1.326,498 0.487,499 0.774,500 0.775,501 0.768,502 0.738,503 1.069,504 0.583,505 0.753,506 0.488,507 0.785,508 1.089,509 1.202,510 0.973,511 1.123,512 1.066,513 1.07,514 0.908,515 1.108,516 0.786,517 0.987,518 0.906,519 1.04,520 1.284,521 0.71,522 0.753,523 0.637,524 1.378,525 0.737,526 0.826,527 1.129,528 1.459,529 1.121,530 0.774,531 0.978,532 1.198,533 1.003,534 1.794,535 1.239,536 0.969,537 1.044,538 0.935,539 0.973,540 2.276,541 1.684,542 0.936,543 1.399,544 5.5,545 0.098,546 2.444,547 1.882,548 1.076,549 0.806,550 0.544,551 0.361,552 0.224,553 0.109,554 6207,555 21081,556 2.04,557 36.8,559 7,560 1,561 2,562 4,567 1.671,568 1.895,569 3.252,570 1.901,571 1,572 1,577 67.863,578 1.786,579 3.974,580 4.702,581 5.018,582 5.07,583 5.07,584 2.705,585 4.335,586 4.558,587 3.412,588 941.627,589 7.873,590 11148.6,591 1,592 1,594 1,595 199.421,596 1.459,597 4.507,598 0.212,599 0.007,600 0.068,601 0.055,602 0.035,603 0.026,604 0.018,605 0.013,606 0.012,607 0.007,608 0.452,609 0.17,610 1,611 0.813,612 114.045,613 -0.132,614 -0.133,615 -0.006,616 0.008,617 -0.168,618 0.028,619 0.11,620 0.054,621 0.032,622 0.077,623 0.182,624 0.066,625 -0.102,626 -0.151,627 -0.024,628 -0.188,629 -0.148,630 -0.173,631 0.036,632 -0.122,633 -0.016,634 -0.078,635 0.045,636 -0.089,637 -0.169,638 0.294,639 0.047,640 0.252,641 -0.205,642 0.179,643 0.049,644 -0.171,645 -0.017,646 0.032,647 0.081,648 0.064,649 -0.125,650 0.004,651 -0.043,652 -0.059,653 -0.035,654 -0.069,655 0.112,656 -0.039,657 -0.295,658 -0.395,659 0.056,660 -0.343,661 2.183,662 4.523,663 0.708,664 19.667,665 1.021,666 1.137,667 2.126,668 4.519,669 0.708,670 3.296,671 3.611,672 3.829,673 4.06,674 4.205,675 4.205,676 4.304,677 4.357,678 4.431,679 4.477,680 5.879,681 0.684,682 388.26,683 3.296,684 4.828,685 5.659,686 6.526,687 7.375,688 8.243,689 9.097,690 9.965,691 10.822,692 11.69,693 18.4,700 1,701 3,703 3,709 7,710 3,714 6,715 1,716 17,722 1,728 2,734 1,735 38,737 18,738 1,739 26,740 1,741 40,742 15,743 13,744 2,745 4,746 1,748 3,749 3,762 14,763 1,767 1,772 1,776 1,780 1,783 14,784 7,785 4,786 9,787 1,792 7,797 1,798 1,807 1,810 1,815 1,816 2,843 3,846 1,847 1,851 24,852 1,860 2,873 1,874 2.6,877 1,881 12.667,882 7.026,883 5.25,884 1.938,886 3.179,887 1.459,888 1.004,889 4.899,890 10.098,891 3.597,892 4.208,893 4.735,894 5.277,895 5.686,896 5.818,897 6.185,898 6.544,899 6.906,900 7.235,901 1,902 34,903 8.763,905 3.649,906 7.892,907 16.264,909 12.712,911 2.392,912 57.417,916 117.711,917 94.129,918 166.883,920 25.145,923 140.084,924 142.856,925 120.929,926 8.396,927 32.897,928 46.952,929 103.626,930 67.647,931 15.998,932 82.398,933 45.954,934 117.711,935 215.059,936 25.145,938 45.954,939 117.711,940 25.145,943 90.689,944 74.136,945 50.234,946 45.954,947 117.711,948 146.074,949 140.084,952 117.711,953 20.686,954 75.22,955 81.976,956 108.276,957 117.711,958 146.074,959 140.084,961 0.583,962 0.331,963 0.176,964 0.092,965 17,966 8,967 0.125,968 5,970 1,971 3.6,972 190.212,974 17,975 110.039,981 16.58,982 7.091,983 3.992,985 144.298,986 12.036,987 12.682,991 3.263,992 1.67,993 68.919,994 403.869,995 35.5,1000 11.523,1004 -0.517,1007 38.803,1008 43.2,1009 0.34,1010 0.757,1011 0.896,1012 0.956,1013 0.966,1014 0.966,1015 4.814,1016 1.303,1017 5.645,1018 3.779,1019 4.29,1020 4.894,1021 1.27,1022 6.422,1023 4.17,1024 6.032,1025 1,1026 7.186,1027 3.063,1028 3.892,1029 4.677,1031 7.239,1032 3.693,1033 7.334,1034 0.735,1035 8.822,1036 2.304,1037 5.855,1038 7.071,1039 1.08,1040 10.3,1041 5.632,1042 8.67,1043 0.334,1044 10.513,1045 1.742,1046 6.236,1047 7.633,1049 11.925,1050 5.946,1051 10.032,1053 12.238,1054 0.796,1055 7.687,1056 9.5,1057 1.025,1058 14.488,1059 7.372,1060 11.414,1061 -0.422,1062 13.988,1064 8.429,1065 10.436,1067 16.461,1068 8.064,1069 12.811,1070 -0.701,1071 15.756,1072 -1.068,1073 9.666,1074 12.063,1075 0.994,1076 18.839,1077 9.274,1078 3.019,1079 -0.849,1080 17.538,1081 -1.791,1082 10.582,1083 13.192,1085 20.97,1086 10.154,1087 2.837,1088 9.88,1089 19.33,1090 -2,1091 11.725,1092 14.697,1093 0.967,1094 23.278,1095 11.271,1096 2.677,1097 8.776,1098 21.132,1099 3.995,1100 12.725,1101 15.929,1103 25.482,1104 12.243,1105 2.208,1106 7.79,1107 22.94,1108 3.845,1109 13.829,1110 17.371,1111 0.942,1112 27.764,1113 13.323,1114 1.949,1115 6.38,1116 24.754,1117 3.691,1118 14.87,1119 18.659,1121 30.003,1122 14.341,1123 1.681,1124 5.271,1125 26.573,1126 2.842,1127 15.958,1128 20.066,1129 0.917,1130 32.278,1131 15.409,1132 1.554,1133 4.688,1134 28.396,1135 2.584,1136 17.019,1137 21.387,1139 34.536,1140 16.451,1141 6081,1142 11348,1143 17.107,1144 26.892,1145 39.233,1146 39.786,1147 40.027,1148 38.695,1149 38.594,1150 52.259,1151 3.56,1152 108.938,1153 36.076,1154 5.174,1155 5.54,1156 6.113,1157 5.065,1158 5.019,1159 6.995,1160 1.96,1161 16.496,1162 4.953,1163 12.436,1164 1.509,1165 1.53,1166 1.54,1167 1.488,1168 1.484,1169 2.01,1170 0.137,1171 4.19,1172 1.388,1173 3.991,1174 4.044,1175 6.88,1176 3.881,1177 7.437,1178 3.886,1179 3.913,1180 3.961,1181 3.928,1182 3.739,1183 5.053,1184 3.763,1185 3.764,1186 3.812,1187 3.864,1188 3.629,1189 4.915,1190 3.634,1191 3.338,1192 3.391,1193 3.645,1194 3.08,1195 4.89,1196 3.117,1197 3.163,1198 3.257,1199 3.259,1200 2.934,1201 4.677,1202 2.935,1203 3.017,1204 3.105,1205 3.003,1206 2.815,1207 4.11,1208 2.82,1209 2.843,1210 2.92,1211 2.862,1212 2.705,1213 4.011,1214 2.671,1215 2.735,1216 2.825,1217 2.58,1218 2.516,1219 3.744,1220 2.527,1221 0.168,1222 0.136,1223 0.247,1224 0.153,1225 0.116,1226 4.367,1227 0.154,1228 3.54,1229 0.038,1230 6.431,1231 0.38,1232 3.988,1233 0.114,1234 3.019,1235 3.995,1236 0.98,1237 9.88,1238 2.953,1239 1.918,1240 1.892,1241 2.01,1242 2.034,1243 1.097,1244 2.025,1245 1.73,1246 1.689,1247 1.778,1248 1.908,1249 0.835,1250 1.884,1251 1.524,1252 1.461,1253 1.712,1254 1.803,1255 0.765,1256 1.78,1257 1.385,1258 1.307,1259 1.531,1260 1.585,1261 0.593,1262 1.577,1263 1.214,1264 1.171,1265 1.404,1266 1.535,1267 0.259,1268 1.501,1269 0.966,1270 0.895,1271 1.187,1272 1.228,1273 0.224,1274 1.218,1275 0.77,1276 0.702,1277 1.078,1278 1.064,1279 0.049,1280 1.087,1281 0.716,1282 0.624,1283 1.041,1284 0.977,1286 1.011,1287 3.97,1289 5.283,1290 2.398,1291 6.774,1292 4.595,1293 8.348,1294 6.529,1295 9.965,1296 3.391,1297 1.821,1301 5.396,1305 6.151,1314 25.997,1315 67.863,1316 151.015,1317 178.666,1318 190.666,1319 192.666,1320 192.666,1321 35.197,1322 6.919,1323 110.75,1324 110.75,1325 17,1326 12.237,1327 4.248,1328 3.392,1329 39.197,1330 83,1331 86,1332 0.228,1333 169.599,1334 279.59,1335 405.581,1336 8889,1337 2.6,1338 17.104,1339 0.713,1340 0.595,1341 18.104,1342 14.28,1343 11.525,1344 0.443,1345 0.298,1346 6.883,1347 10.458,1348 6.679,1349 5.576,1350 12.102,1351 7.761,1352 10.625,1353 0.295,1354 0.161,1355 11.366,1356 5.807,1357 8.371,1358 0.186,1359 0.083,1360 9.131,1361 3.731,1362 6.861,1363 0.12,1364 0.041,1365 7.3,1366 2.355,1367 5.249,1368 0.08,1369 0.023,1370 5.852,1371 1.517,1372 0.355,1373 81.217,1374 0.242,1375 23.383,1376 0.632,1377 124,1378 404.948,1379 204.685,1380 433.717,1381 580.64,1382 402,1383 143,1384 408.113,1385 194.724,1386 425.769,1387 614.57,1388 398,1389 8.5}
{0 CHEMBL1994693,1 1.64,2 11.643,3 3.447,4 11.882,5 112.681,6 8.611,7 0.688,8 3.942,9 4.054,10 3.68,11 3.591,12 5.106,13 3.559,14 4.429,15 4.562,16 4.098,17 4.015,18 5.597,19 3.953,20 4.667,21 4.839,22 4.131,23 4.139,24 5.728,25 4.052,26 4.699,27 4.882,28 4.117,29 4.101,30 5.798,31 4.005,32 4.677,33 4.878,34 3.941,35 3.973,36 5.802,37 3.888,38 4.576,39 4.791,40 3.756,41 3.829,42 5.689,43 3.746,44 4.472,45 4.713,46 3.532,47 3.677,48 5.505,49 3.576,50 4.293,51 4.532,52 3.427,53 3.564,54 5.294,55 3.444,56 0.052,57 0.699,58 7.493,59 3.692,60 9.173,61 4.208,62 0.231,63 1.136,64 14.133,65 6.638,66 22.01,67 8.045,68 0.19,69 1.391,70 22.083,71 9.151,72 26.232,73 10.529,74 0.177,75 1.441,76 24.889,77 9.792,78 26.209,79 11.636,80 0.279,81 1.373,82 24.722,83 9.048,84 42.321,85 10.182,86 0.275,87 1.245,88 21.691,89 7.712,90 42.491,91 8.945,92 0.276,93 1.087,94 19.566,95 6.929,96 41.657,97 8.718,98 0.222,99 0.889,100 17.593,101 6.893,102 27.862,103 8.802,104 5,105 46,106 0.277,107 0.632,108 0.74,109 0.838,110 0.866,111 0.874,112 3.375,113 0.918,114 -4.68,115 -4.6,116 -4.32,119 46.7,121 2,142 8,143 4,144 2,147 1,148 1,152 1,159 1,161 1,163 1,164 1,165 1,172 12,174 1,175 3,177 1,178 3,179 1,180 5,183 18,185 1,188 2,193 5,196 15,198 1,200 8,202 1,203 1,205 9,208 7,210 2,213 10,218 9,221 3,223 3,225 8,230 7,233 4,235 3,238 2,243 3,246 8,250 1,253 2,254 1,255 1,257 1,258 10,264 1,269 1,272 10,276 1130,277 19.309,278 19.309,279 19.309,280 19.309,281 19.309,282 16.54,283 20.593,284 11.375,285 19.729,286 15.859,287 15.859,288 15.859,289 15.859,290 15.859,291 11.636,292 25.689,293 5.46,294 16.565,295 3.852,296 1.745,297 1.1,298 0.522,299 0.356,300 0.311,301 4.091,305 1,306 1,307 737,308 3.082,311 41.574,312 239.16,315 156.49,316 81.797,319 1.883,320 21.561,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 59.5,332 326,333 4.774,334 3.564,335 7.107,336 4.333,337 3.368,338 4.724,339 1.656,340 12.368,341 3.261,342 4.239,343 3.431,344 6.267,345 3.812,346 2.843,347 3.911,348 0.247,349 9.348,350 2.75,351 3.972,352 2.917,353 5.653,354 3.605,355 2.638,356 3.478,358 7.683,359 2.544,360 3.764,361 2.554,362 5.513,363 3.363,364 2.4,365 3.191,367 7.233,368 2.309,369 3.574,370 2.492,371 5.284,372 3.129,373 2.194,374 2.93,376 6.649,377 2.05,378 3.383,379 2.243,380 5.091,381 2.888,382 1.943,383 2.691,385 5.821,386 1.821,387 3.201,388 1.971,389 4.738,390 2.767,391 1.79,392 2.44,394 4.974,395 1.739,396 3.013,397 1.906,398 4.597,399 2.683,400 1.731,401 2.166,403 4.771,404 1.618,405 2.848,406 1.519,407 4.156,408 2.382,409 1.388,410 1.983,412 3.411,413 1.376,414 2.816,415 1.374,416 3.583,417 2.285,418 1.343,419 1.958,421 2.992,422 1.26,423 2.5,424 1,425 3.564,426 2,427 1,428 1.5,430 2.221,431 1,432 2.301,433 0.958,434 3.25,435 1.853,436 0.892,437 1.225,439 2.136,440 0.852,441 1.861,442 0.642,443 3.247,444 1.476,445 0.575,446 0.719,448 1.468,449 0.507,450 1.311,451 0.614,452 2.948,453 1.017,454 0.07,455 0.082,457 0.193,458 0.066,459 1.174,460 0.27,461 2.561,462 0.767,463 -0.219,464 -0.279,466 -0.526,467 -0.209,468 13.667,469 0.488,470 0.657,471 0.023,472 41.5,473 1.482,474 23,475 0.821,476 18.5,477 0.661,478 20.629,479 0.737,480 27.733,481 0.616,482 28.601,483 1.021,484 7.9,485 0.282,486 5.786,487 0.207,488 0.054,490 0.366,496 0.881,497 1.01,498 0.706,499 0.748,500 0.718,501 0.727,502 0.417,503 0.899,504 0.761,505 0.888,506 0.463,507 0.882,508 1.018,509 1.039,510 1.048,511 1.005,512 0.919,513 0.972,514 0.811,515 1.232,516 1.092,517 1.258,518 0.76,519 1.116,520 1.506,521 1.128,522 1.171,523 1.083,524 1.489,525 1.056,526 1.508,527 1.078,528 1.107,529 0.996,530 1.478,531 1.05,532 1.347,533 0.901,534 0.892,535 0.834,536 1.454,537 0.99,538 0.783,539 0.735,540 0.833,541 0.881,542 1.022,543 0.936,544 5,545 0.107,546 2.444,547 2.382,548 1.822,549 0.799,550 0.508,551 0.301,552 0.221,553 0.192,554 10826,555 29648,556 2.2,557 37.8,558 2,559 8,561 1,562 4,563 2,567 1.707,568 2.1,569 3.475,570 1.662,572 1,577 73.798,578 1.64,579 3.747,580 4.392,581 4.969,582 5.136,583 5.181,584 2.942,585 4.45,586 4.776,587 3.649,588 1379.3,589 8.288,590 18027,592 1,594 1,595 247.133,596 1.264,597 4.757,598 0.156,599 0.005,600 0.053,601 0.051,602 0.041,603 0.021,604 0.016,605 0.012,606 0.01,607 0.009,608 0.374,609 0.17,610 0.88,611 0.444,612 140.685,613 -0.135,614 0.056,615 0.038,616 0.117,617 -0.107,618 0.094,619 0.335,620 0.129,621 0.091,622 0.047,623 0.155,624 0.002,625 -0.139,626 -0.04,627 -0.059,628 -0.001,629 -0.098,630 -0.025,631 0.054,632 -0.251,633 -0.028,634 -0.211,635 0.091,636 -0.134,637 -0.235,638 -0.136,639 -0.157,640 -0.104,641 -0.122,642 -0.103,643 -0.27,644 -0.076,645 -0.175,646 -0.082,647 -0.18,648 -0.106,649 -0.205,650 0.044,651 -0.035,652 0.044,653 -0.236,654 0.002,655 0.171,656 0.149,657 0.124,658 0.1,659 0.018,660 0.126,661 1.929,662 5.273,663 0.821,664 27.526,665 1.005,666 1.114,667 3.448,668 11.889,669 0.727,670 3.497,671 3.85,672 4.174,673 4.533,674 4.812,675 4.934,676 5.13,677 5.357,678 5.455,679 5.549,680 6.747,681 0.693,682 387.5,683 3.497,684 5.056,685 5.932,686 6.838,687 7.735,688 8.651,689 9.559,690 10.48,691 11.396,692 12.322,693 11.1,697 1,700 2,703 2,708 2,709 9,710 2,713 1,714 7,716 22,727 1,735 45,737 23,738 2,739 32,741 49,742 21,743 18,744 4,745 8,748 5,749 11,753 1,757 2,760 2,762 19,763 2,767 1,772 1,776 1,780 1,783 17,784 6,785 4,786 7,787 1,792 5,797 0.4,798 1,810 1,815 1,816 4,819 2,820 1,843 2,845 1,851 28,852 1,858 2,860 2,869 1,874 2.2,877 1,881 13.333,882 8.067,883 6,884 2.622,886 4.211,887 1.506,888 1.078,889 4.304,890 12.527,891 3.807,892 4.469,893 5.111,894 5.795,895 6.378,896 6.73,897 7.209,898 7.725,899 8.049,900 8.421,901 0.875,902 47,903 10.317,905 4.514,906 7.696,907 19.779,909 16.813,911 2.196,912 61.5,915 1,916 153.024,917 146.698,918 102.49,920 25.145,922 31.278,923 115.42,924 178.169,925 102.49,927 41.091,928 108.707,929 70.804,930 26.262,931 7.962,932 172.531,934 153.024,935 217.91,936 25.145,937 31.278,939 153.024,940 25.145,943 50.026,944 134.312,945 33.571,946 31.278,947 153.024,948 127.635,949 146.698,952 153.024,953 62.269,954 84.429,955 36.022,956 91.613,957 153.024,958 127.635,959 146.698,961 0.585,962 0.344,963 0.202,964 0.114,965 25,966 10,967 0.041,968 2,969 3,970 1.261,971 4.052,972 257.097,973 0.261,974 23,975 130.606,977 1,981 17.292,982 6.969,983 3.185,984 1.862,985 127.635,986 16.883,987 8.544,990 1.683,991 6.787,993 68.919,994 427.357,995 44,1000 12.273,1004 -0.263,1007 45.214,1008 50.112,1009 0.299,1010 0.682,1011 0.8,1012 0.905,1013 0.935,1014 0.943,1015 5.047,1016 1.731,1017 5.922,1018 4.974,1019 4.533,1020 5.156,1021 1.758,1022 6.772,1023 4.451,1024 6.273,1025 1.388,1026 7.494,1027 4.771,1028 4.111,1029 4.997,1030 1.195,1031 7.732,1032 3.998,1033 7.596,1034 1.343,1035 9.168,1036 3.411,1037 6.151,1038 7.428,1039 2.415,1040 10.905,1041 5.999,1042 8.956,1043 1,1044 10.906,1045 2.992,1046 6.567,1047 8.125,1048 2.324,1049 12.773,1050 6.384,1051 10.351,1052 0.892,1053 12.687,1054 2.221,1055 8.075,1056 10.024,1057 3.244,1058 15.479,1059 7.864,1060 11.772,1061 0.575,1062 14.501,1063 2.136,1064 8.903,1065 11.153,1066 3.407,1067 17.738,1068 8.659,1069 13.215,1070 0.07,1071 16.34,1072 1.468,1073 10.201,1074 12.832,1075 4.156,1076 20.301,1077 9.931,1078 3.368,1079 -0.219,1080 18.199,1081 0.193,1082 11.229,1083 14.18,1084 4.464,1085 22.716,1086 10.926,1087 2.843,1088 12.368,1089 20.075,1090 -0.526,1091 12.45,1092 15.77,1093 5.111,1094 25.238,1095 12.121,1096 2.638,1097 9.348,1098 21.965,1099 4.724,1100 13.572,1101 17.223,1102 5.504,1103 27.713,1104 13.209,1105 2.4,1106 7.683,1107 23.866,1108 3.911,1109 14.771,1110 18.78,1111 6.091,1112 30.225,1113 14.38,1114 2.194,1115 7.233,1116 25.778,1117 3.478,1118 15.936,1119 20.282,1120 6.531,1121 32.723,1122 15.512,1123 1.943,1124 6.649,1125 27.697,1126 3.191,1127 17.132,1128 21.83,1129 7.083,1130 35.235,1131 16.678,1132 1.79,1133 5.821,1134 29.623,1135 2.93,1136 18.319,1137 23.356,1138 7.551,1139 37.742,1140 17.832,1141 9906,1142 16535,1143 22.076,1144 32.699,1145 48.738,1146 49.512,1147 49.496,1148 48.321,1149 48.346,1150 65.995,1151 3.806,1152 142.536,1153 46.305,1154 5.66,1155 5.564,1156 6.909,1157 5.461,1158 5.368,1159 7.724,1160 2.912,1161 19.834,1162 5.261,1163 9.554,1164 1.523,1165 1.547,1166 1.547,1167 1.51,1168 1.511,1169 2.062,1170 0.119,1171 4.454,1172 1.447,1173 4.141,1174 4.156,1175 4.355,1176 4.134,1177 7.431,1178 4.099,1179 3.909,1180 3.945,1181 3.877,1182 3.828,1183 5.22,1184 3.824,1185 3.833,1186 3.867,1187 3.806,1188 3.767,1189 4.801,1190 3.755,1191 3.509,1192 3.565,1193 3.486,1194 3.336,1195 4.763,1196 3.341,1197 3.341,1198 3.386,1199 3.378,1200 3.108,1201 4.684,1202 3.143,1203 3.12,1204 3.18,1205 3.111,1206 3.002,1207 4.266,1208 2.977,1209 3.001,1210 3.104,1211 2.938,1212 2.818,1213 3.976,1214 2.798,1215 2.868,1216 2.941,1217 2.76,1218 2.735,1219 3.82,1220 2.715,1221 0.149,1222 0.111,1223 0.222,1224 0.135,1225 0.105,1226 4.774,1227 0.148,1228 3.564,1229 0.052,1230 7.107,1231 0.386,1232 4.333,1233 0.102,1234 3.368,1235 4.724,1236 1.656,1237 12.368,1238 3.261,1239 2.006,1240 1.986,1241 2.089,1242 2.08,1243 1.355,1244 2.083,1245 1.886,1246 1.854,1247 2.01,1248 1.99,1249 1.061,1250 1.996,1251 1.759,1252 1.729,1253 1.787,1254 1.913,1255 0.937,1256 1.895,1257 1.54,1258 1.51,1259 1.693,1260 1.694,1261 0.865,1262 1.7,1263 1.229,1264 1.184,1265 1.381,1266 1.497,1267 0.486,1268 1.479,1269 1.104,1270 1.068,1271 1.227,1272 1.284,1273 0.33,1274 1.29,1275 0.893,1276 0.84,1277 1.181,1278 1.175,1279 0.218,1280 1.188,1281 0.886,1282 0.821,1283 1.161,1284 1.062,1285 0.185,1286 1.107,1287 4.174,1289 5.517,1290 2.398,1291 7.064,1292 4.844,1293 8.709,1294 7.081,1295 10.409,1301 6.141,1303 1.848,1305 5.742,1314 31.17,1315 73.798,1316 168.604,1317 197.624,1318 223.624,1319 231.133,1320 233.133,1321 36.434,1322 8.316,1323 92.93,1324 121.17,1325 29,1326 12.829,1327 4.585,1328 3.7,1329 37.868,1330 115,1331 118,1332 0.164,1333 192.14,1334 319.72,1335 460.581,1336 51073,1338 19.087,1339 0.682,1340 0.561,1341 19.441,1342 15.715,1343 13.687,1344 0.428,1345 0.306,1346 8.953,1347 12.874,1348 8.711,1349 7.179,1350 14.095,1351 9.787,1352 12.58,1353 0.273,1354 0.168,1355 13.222,1356 7.74,1357 10.779,1358 0.168,1359 0.094,1360 11.558,1361 6.034,1362 9.848,1363 0.107,1364 0.052,1365 10.81,1366 4.808,1367 8.289,1368 0.068,1369 0.03,1370 9.25,1371 3.604,1372 0.259,1373 88.793,1374 0.213,1375 26.806,1376 0.445,1377 156,1378 419.864,1379 193.247,1380 439.1,1381 615.01,1382 412,1383 188,1384 451.661,1385 221.205,1386 477.209,1387 703.92,1388 451,1389 5.4}
{0 CHEMBL1994830,1 1.965,2 9.826,3 3.151,4 9.931,5 89.821,6 10.775,7 0.808,8 3.655,9 3.726,10 3.572,11 3.296,12 4.941,13 3.293,14 4.086,15 4.164,16 3.998,17 3.68,18 5.408,19 3.655,20 4.211,21 4.312,22 3.962,23 3.661,24 5.455,25 3.621,26 4.131,27 4.254,28 3.815,29 3.551,30 5.295,31 3.51,32 3.979,33 4.109,34 3.683,35 3.459,36 5.179,37 3.432,38 4.053,39 4.184,40 3.698,41 3.505,42 5.315,43 3.454,44 4.045,45 4.219,46 3.593,47 3.441,48 5.187,49 3.347,50 3.77,51 3.932,52 3.413,53 3.14,54 5.051,55 3.047,56 0.151,57 0.49,58 2.127,59 2.395,60 9.396,61 1.981,62 0.318,63 0.734,64 4.388,65 4.097,66 17.803,67 3.617,68 0.456,69 0.805,70 14.032,71 5.774,72 25.17,73 4.467,74 0.388,75 0.739,76 11.103,77 5.053,78 23.083,79 4.168,80 0.291,81 0.673,82 8.106,83 4.131,84 16.453,85 3.899,86 0.392,87 0.74,88 8.221,89 4.476,90 20.011,91 3.973,92 0.32,93 0.719,94 10.912,95 5.058,96 20.245,97 5.022,98 0.275,99 0.515,100 10.408,101 3.932,102 20.482,103 3.85,104 5,105 37,106 0.357,107 0.685,108 0.797,109 0.851,110 0.851,111 0.851,112 3.189,113 0.898,114 -4.33,115 -4.27,116 -4.03,119 46.9,142 5,143 1,144 3,145 2,152 2,161 1,162 1,163 1,164 1,165 1,166 1,172 3,174 2,175 3,177 2,178 2,183 6,187 1,188 9,190 1,191 1,196 4,200 6,208 2,213 4,218 2,221 4,223 2,224 4,225 2,230 1,233 4,235 1,237 2,246 3,250 5,252 2,253 2,258 1,264 6,272 1,276 713,277 15.687,278 15.687,279 15.687,280 15.687,281 15.687,282 13.199,283 11.234,284 9.19,285 16.266,286 12.869,287 12.869,288 12.869,289 12.869,290 12.869,291 9.17,292 11.281,293 4.434,294 13.911,295 3.035,296 1.227,297 0.613,298 0.313,299 0.313,300 0.313,301 3.888,302 1,304 1,305 1,306 1,307 500,308 2.236,311 100.166,312 127.149,315 86.747,319 1.573,320 20.346,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 50.333,332 226,333 4.598,334 3.275,335 6.6,336 4.096,337 3.156,338 4.545,339 0.86,340 10.592,341 2.961,342 4.171,343 2.988,344 6.097,345 3.74,346 2.791,347 3.808,349 8.915,350 2.647,351 4.006,352 2.859,353 5.494,354 3.531,355 2.594,356 3.615,358 7.351,359 2.41,360 3.619,361 2.622,362 5.16,363 3.143,364 2.246,365 3.029,367 6.307,368 2.01,369 3.414,370 2.238,371 4.988,372 2.963,373 2.06,374 2.726,376 5.811,377 1.802,378 3.237,379 1.96,380 4.828,381 2.73,382 1.813,383 2.538,385 5.369,386 1.606,387 2.961,388 1.494,389 4.179,390 2.423,391 1.483,392 2.174,394 3.737,395 1.391,396 2.533,397 1.105,398 3.996,399 2,400 1.071,401 1.547,403 2.958,404 1,405 2.5,406 1,407 3.414,408 1.99,409 1,410 1.5,412 2.275,413 0.974,414 2.166,415 0.934,416 3.34,417 1.656,418 0.695,419 1.003,421 1.832,422 0.66,423 2.104,424 0.671,425 3.267,426 1.541,427 0.663,428 0.945,430 1.649,431 0.57,432 1.442,433 0.538,434 2.856,435 0.987,436 0.128,437 0.163,439 0.309,440 0.101,441 1.015,442 0.01,443 2.451,444 0.508,445 -0.351,446 -0.454,448 -0.832,449 -0.265,450 0.514,451 -0.488,452 2.301,453 0.208,454 -0.722,455 -0.849,457 -1.758,458 -0.642,459 0.5,460 -0.566,461 2,463 -0.897,464 -1.138,466 -2.362,467 -0.727,468 11.314,469 0.492,470 0.571,471 0.025,472 34.5,473 1.5,474 19,475 0.826,476 15.5,477 0.674,478 15.024,479 0.653,480 22.886,481 0.715,482 22.027,483 0.958,484 6.743,485 0.293,486 4.444,487 0.193,488 0.098,490 0.354,496 0.872,497 0.923,498 0.569,499 0.722,500 0.968,501 0.653,502 0.787,503 0.851,504 0.683,505 0.8,506 0.563,507 0.76,508 1.337,509 1.008,510 1.257,511 1.238,512 1.072,513 1.054,514 1.32,515 1.065,516 1.035,517 1.082,518 1.152,519 1.039,520 0.687,521 1.126,522 0.67,523 1.012,524 0.628,525 0.937,526 0.649,527 1.006,528 0.885,529 1.008,530 0.765,531 1.051,532 0.735,533 1.027,534 0.981,535 1.069,536 0.779,537 1.126,538 0.792,539 1.097,540 1.36,541 1.303,542 0.889,543 1.266,544 5,545 0.081,546 2.444,547 1.229,548 1.376,549 0.434,550 0.432,551 0.355,552 0.164,553 0.105,554 5950,555 21932,556 2.168,557 28.1,559 5,561 2,562 2,567 1.657,568 2.06,569 3.273,570 0.407,572 1,574 1,577 62.867,578 1.965,579 3.773,580 4.387,581 4.688,582 4.688,583 4.688,584 2.736,585 4.263,586 4.492,587 3.39,588 857.749,589 7.736,590 9608.25,591 1,592 1,593 1,594 1,595 160,596 1.302,597 4.469,598 0.192,599 0.009,600 0.066,601 0.037,602 0.047,603 0.015,604 0.015,605 0.015,606 0.01,607 0.008,608 0.416,609 0.33,610 1,611 0.503,612 107.197,613 -0.101,614 0.089,615 0.005,616 0.062,617 -0.225,618 0.055,619 0.127,620 0.14,621 0.049,622 0.094,623 0.194,624 0.023,625 -0.185,626 -0.061,627 -0.198,628 -0.163,629 -0.133,630 -0.125,631 -0.247,632 -0.133,633 -0.095,634 -0.088,635 -0.277,636 -0.084,637 0.08,638 -0.165,639 0.059,640 -0.107,641 0.109,643 0.198,644 0.018,645 -0.114,646 -0.064,647 0.044,648 -0.14,649 0.041,650 -0.055,651 -0.014,652 -0.037,653 0.056,654 -0.041,655 0.123,656 -0.142,657 -0.108,658 -0.232,659 0.248,660 -0.18,661 1.631,662 2.395,663 0.87,664 18.957,665 1.035,666 1.11,667 3.105,668 9.641,669 0.773,670 3.296,671 3.638,672 3.912,673 4.205,674 4.419,675 4.511,676 4.654,677 4.852,678 4.883,679 4.883,680 5.672,681 0.753,682 344.8,683 3.296,684 4.844,685 5.7,686 6.586,687 7.462,688 8.353,689 9.238,690 10.131,691 11.022,692 11.918,693 12.5,697 1,703 3,708 2,709 7,710 3,712 1,713 1,714 6,716 21,727 1,733 1,734 1,735 32,737 21,738 1,739 26,741 35,742 15,743 15,744 2,745 4,748 4,749 5,750 1,762 15,779 1,780 1,783 9,784 6,785 2,786 8,787 2,792 4,797 0.75,798 2,809 1,815 2,816 2,819 1,843 3,845 1,848 1,851 23,852 1,861 1,869 1,873 1,874 6.3,879 2,881 11.167,882 5.91,883 4.917,884 1.719,886 3.892,887 1.53,888 1.045,889 3.729,890 11.24,891 3.624,892 4.304,893 4.94,894 5.585,895 6.098,896 6.477,897 6.946,898 7.483,899 7.785,900 8.093,901 0.857,902 33,903 8.383,905 3.602,906 7.816,907 15.679,909 12.796,911 2.316,912 53.278,916 82.398,917 125.03,918 83.009,919 39.149,920 20.507,922 31.278,923 93.752,924 142.054,925 83.009,928 80.278,929 78.674,930 59.754,931 2.104,932 90.133,933 39.149,934 82.398,935 176.761,936 20.507,937 70.426,939 82.398,940 20.507,943 27.706,944 98.943,945 89.26,946 31.278,947 82.398,948 103.516,949 164.178,952 82.398,953 59.553,954 65.476,956 142.665,957 82.398,958 103.516,959 164.178,961 0.587,962 0.336,963 0.182,964 0.102,965 20,966 8,967 0.086,968 3,969 1,970 1.1,971 3.614,972 189.683,973 0.1,974 20,975 100.042,977 1,981 14.571,982 5.886,983 2.929,984 1.856,985 103.516,986 12.475,987 11.774,989 5.261,990 1.475,991 3.186,993 32.897,994 350.092,995 36.5,1007 33.113,1008 35.522,1009 0.393,1010 0.755,1011 0.877,1012 0.938,1013 0.938,1014 0.938,1015 4.846,1016 1.071,1017 5.687,1018 3.737,1019 4.317,1020 4.99,1021 0.908,1022 6.491,1023 4.167,1024 6.08,1025 1,1026 7.236,1027 2.958,1028 3.892,1029 4.808,1031 7.334,1032 3.629,1033 7.397,1034 0.695,1035 8.88,1036 2.275,1037 5.905,1038 7.272,1039 0.739,1040 10.434,1041 5.628,1042 8.751,1043 0.663,1044 10.579,1045 1.832,1046 6.293,1047 7.942,1049 12.125,1050 5.915,1051 10.135,1052 0.128,1053 12.316,1054 1.649,1055 7.769,1056 9.84,1057 0.593,1058 14.731,1059 7.375,1060 11.542,1061 -0.351,1062 14.078,1063 0.309,1064 8.536,1065 10.924,1067 16.787,1068 8.053,1069 12.966,1070 -0.722,1071 15.861,1072 -0.832,1073 9.796,1074 12.585,1075 0.469,1076 19.223,1077 9.285,1078 3.156,1079 -0.897,1080 17.66,1081 -1.758,1082 10.749,1083 13.88,1085 21.441,1086 10.157,1087 2.791,1088 10.592,1089 19.471,1090 -2.362,1091 11.921,1092 15.441,1093 0.366,1094 23.817,1095 11.29,1096 2.594,1097 8.915,1098 21.293,1099 4.545,1100 12.965,1101 16.842,1103 26.107,1104 12.26,1105 2.246,1106 7.351,1107 23.124,1108 3.808,1109 14.105,1110 18.363,1111 0.283,1112 28.463,1113 13.351,1114 2.06,1115 6.307,1116 24.962,1117 3.615,1118 15.193,1119 19.817,1121 30.786,1122 14.369,1123 1.813,1124 5.811,1125 26.806,1126 3.029,1127 16.324,1128 21.325,1129 0.217,1130 33.138,1131 15.445,1132 1.483,1133 5.369,1134 28.656,1135 2.726,1136 17.435,1137 22.805,1139 35.477,1140 16.488,1141 5594,1142 10889,1143 17.8,1144 24.722,1145 39.808,1146 39.971,1147 40.131,1148 39.539,1149 39.4,1150 55.187,1151 1.72,1152 114.213,1153 36.263,1154 5.359,1155 5.275,1156 6.126,1157 5.24,1158 5.156,1159 7.545,1160 1.72,1161 17.519,1162 4.961,1163 8.847,1164 1.531,1165 1.537,1166 1.543,1167 1.521,1168 1.515,1169 2.123,1170 0.066,1171 4.393,1172 1.395,1173 4.091,1174 4.096,1175 4.341,1176 4.085,1177 5.399,1178 4.039,1179 3.876,1180 3.893,1181 3.987,1182 3.821,1183 5.043,1184 3.811,1185 3.758,1186 3.795,1187 3.752,1188 3.458,1189 4.909,1190 3.525,1191 3.252,1192 3.295,1193 3.471,1194 3.124,1195 4.718,1196 3.111,1197 3.014,1198 3.023,1199 3.273,1200 2.864,1201 4.496,1202 2.87,1203 2.854,1204 2.925,1205 2.898,1206 2.735,1207 4.245,1208 2.715,1209 2.787,1210 2.923,1211 2.687,1212 2.708,1213 3.973,1214 2.67,1215 2.748,1216 2.778,1217 2.626,1218 2.436,1219 3.903,1220 2.467,1221 0.177,1222 0.126,1223 0.254,1224 0.158,1225 0.121,1226 4.598,1227 0.175,1228 3.275,1229 0.033,1230 6.6,1231 0.407,1232 4.096,1233 0.114,1234 3.156,1235 4.545,1236 0.86,1237 10.592,1238 2.961,1239 1.899,1240 1.885,1241 1.969,1242 2.001,1243 1.07,1244 1.995,1245 1.808,1246 1.789,1247 1.872,1248 1.884,1249 1.007,1250 1.893,1251 1.515,1252 1.526,1253 1.479,1254 1.676,1255 0.713,1256 1.634,1257 1.227,1258 1.161,1259 1.382,1260 1.568,1261 0.218,1262 1.537,1263 0.93,1264 0.921,1265 1.181,1266 1.149,1267 0.162,1268 1.112,1269 0.886,1270 0.821,1271 1.052,1272 1.067,1273 0.034,1274 1.107,1275 0.847,1276 0.789,1277 0.964,1278 1.062,1279 0.019,1280 1.068,1281 0.76,1282 0.736,1283 0.897,1284 0.895,1286 0.927,1287 3.97,1289 5.303,1290 3.045,1291 6.815,1292 5.352,1293 8.408,1294 7.413,1295 10.046,1298 5.883,1301 5.471,1306 5.895,1314 24.11,1315 62.867,1316 120.739,1317 140.39,1318 150,1319 150,1320 150,1321 26.326,1322 7.349,1323 87.06,1324 115.3,1325 22,1326 12.444,1327 4.459,1328 3.524,1329 31.865,1330 77,1331 83,1332 0.204,1333 153.369,1334 246.56,1335 365.98,1336 14957,1337 3.1,1338 15.811,1339 0.687,1340 0.571,1341 16.665,1342 13.136,1343 11.187,1344 0.43,1345 0.299,1346 6.583,1347 9.952,1348 6.382,1349 5.248,1350 11.884,1351 7.787,1352 10.386,1353 0.281,1354 0.167,1355 11.437,1356 6.182,1357 8.715,1358 0.178,1359 0.09,1360 9.81,1361 4.412,1362 7.317,1363 0.111,1364 0.048,1365 8.389,1366 3.179,1367 5.956,1368 0.073,1369 0.026,1370 7.039,1371 2.133,1372 0.315,1373 77.708,1374 0.237,1375 22.499,1376 0.569,1377 126,1378 428.782,1379 181.801,1380 462.323,1381 630.46,1382 432,1383 149,1384 444.571,1385 197.998,1386 468.659,1387 687.13,1388 441,1389 5.1}
{0 CHEMBL1994864,1 1.565,2 10,3 1.831,4 3.351,5 85.404,6 7.928,7 0.5,8 3.722,9 3.824,10 3.332,11 3.294,12 4.959,13 3.288,14 4.134,15 4.289,16 3.611,17 3.583,18 5.321,19 3.564,20 4.303,21 4.475,22 3.62,23 3.636,24 5.609,25 3.582,26 4.337,27 4.567,28 3.409,29 3.544,30 5.439,31 3.452,32 4.202,33 4.421,34 3.429,35 3.46,36 5.31,37 3.416,38 4.127,39 4.268,40 3.502,41 3.439,42 5.455,43 3.431,44 4.25,45 4.454,46 3.388,47 3.382,48 5.549,49 3.348,50 4.082,51 4.293,52 3.122,53 3.262,54 5.269,55 3.185,56 0.06,57 0.524,58 6.657,59 3.204,60 12.041,61 3.784,62 0.086,63 0.796,64 11.147,65 4.684,66 14.145,67 5.964,68 0.309,69 0.911,70 14.048,71 5.641,72 43.538,73 7.416,74 0.306,75 0.895,76 16.742,77 6.084,78 41.075,79 8.298,80 0.191,81 0.773,82 14.565,83 5.234,84 30.318,85 6.885,86 0.147,87 0.72,88 11.683,89 4.63,90 27.563,91 5.367,92 0.337,93 0.781,94 15.548,95 5.116,96 48.955,97 6.249,98 0.266,99 0.638,100 13.268,101 4.795,102 41.125,103 6.014,104 10,105 33,106 0.28,107 0.627,108 0.728,109 0.784,110 0.813,111 0.823,112 3.146,113 0.859,114 -2.51,115 -2.53,116 -2.48,119 45.9,120 1,125 1,138 2,142 6,143 2,144 1,145 2,156 2,172 7,175 5,183 9,187 1,188 2,191 2,192 1,196 5,199 1,200 2,203 2,208 1,213 4,218 3,225 3,230 5,237 1,238 2,241 1,243 4,246 2,250 1,253 1,255 3,258 4,264 2,269 2,272 4,276 704,277 14.845,278 14.845,279 14.845,280 14.845,281 14.845,282 12.6,283 17.621,284 8.82,285 15.075,286 11.818,287 11.818,288 11.818,289 11.818,290 11.818,291 8.62,292 23.806,293 4.217,294 12.232,295 3.644,296 1.706,297 1.142,298 0.831,299 0.669,300 0.615,301 3.824,304 1,305 1,306 1,307 471,308 2.55,310 57.082,312 152.817,319 1.455,320 22.136,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 47.5,332 220,333 4.674,334 3.602,335 6.95,336 4.255,337 3.297,338 4.221,339 0.795,340 11.621,341 3.151,342 4.013,343 2.825,344 5.424,345 3.612,346 2.615,347 3.615,348 0.6,349 7.176,350 2.606,351 3.909,352 2.667,353 5.403,354 3.456,355 2.489,356 3.462,358 7.084,359 2.404,360 3.446,361 2.419,362 4.963,363 3.101,364 2.11,365 2.728,367 5.718,368 2.092,369 3.146,370 2.059,371 4.854,372 2.54,373 1.613,374 2.304,376 4.768,377 1.491,378 3.087,379 1.947,380 4.822,381 2.507,382 1.58,383 2.182,385 4.496,386 1.456,387 2.71,388 1.455,389 3.604,390 2.209,391 1.279,392 1.718,394 2.971,395 1.184,396 2.5,397 1.148,398 3.414,399 2,400 1,401 1.5,403 2.275,404 1,405 2.5,406 1,407 3.29,408 1.984,409 1,410 1.5,412 2.136,413 0.983,414 1.814,415 1,416 3.247,417 1.613,418 0.685,419 0.749,421 1.621,422 0.631,423 1.441,424 0.638,425 2.845,426 1.038,427 0.117,428 0.147,430 0.282,431 0.107,432 1.03,433 0.054,434 2.353,435 0.727,436 -0.241,437 -0.288,439 -0.547,440 -0.233,441 0.754,442 -0.265,443 2,444 0.346,445 -0.578,446 -0.687,448 -1.326,449 -0.532,450 0.5,451 -0.679,452 2,454 -1,455 -1.287,457 -2.347,458 -0.946,459 0.5,460 -0.868,461 1.743,462 -0.049,463 -1,464 -1.499,466 -2.765,467 -1,468 10.367,469 0.471,470 0.524,471 0.024,472 31,473 1.409,474 17,475 0.773,476 14,477 0.636,478 14.007,479 0.637,480 22.633,481 0.612,482 20.743,483 0.943,484 6.428,485 0.292,486 4.22,487 0.192,488 0.113,490 0.338,496 0.963,497 1.151,498 0.772,499 0.93,500 1.015,501 0.845,502 0.812,503 1.21,504 0.801,505 1.01,506 0.717,507 0.91,508 0.563,509 1.196,510 0.991,511 1.185,512 0.548,513 1.164,514 0.746,515 0.919,516 0.995,517 0.984,518 0.782,519 1.022,520 1.062,521 0.846,522 0.807,523 0.788,524 1.002,525 0.75,526 1.552,527 1.304,528 1.069,529 1.207,530 1.527,531 1.09,532 1.639,533 0.869,534 1.138,535 0.918,536 1.658,537 0.938,538 1.399,539 0.84,540 1.133,541 0.937,542 1.529,543 0.994,544 4,545 0.049,546 2.444,547 1.688,548 1.076,549 0.785,550 0.447,551 0.323,552 0.205,553 0.071,554 5272,555 14747,556 2.07,557 40.5,558 3,559 8,561 2,562 2,567 1.644,568 1.941,569 3.311,570 0.304,571 1,572 1,574 1,577 57.905,578 1.565,579 3.504,580 4.067,581 4.378,582 4.54,583 4.594,584 2.754,585 3.88,586 4.43,587 3.431,588 792.522,589 7.605,590 8951.65,591 1,592 1,594 1,595 192.75,596 1.395,597 4.392,598 0.167,599 0.005,600 0.079,601 0.058,602 0.047,603 0.031,604 0.017,605 0.015,606 0.012,607 0.005,608 0.436,609 0.67,610 1,611 0.595,612 102.359,613 -0.128,614 -0.079,615 0.002,616 0.053,617 -0.183,618 0.046,619 -0.056,620 -0.134,621 0.042,622 -0.055,623 -0.041,624 0.003,625 0.315,626 -0.152,627 -0.097,628 -0.237,629 0.271,630 -0.242,631 0.123,632 0.06,633 -0.003,634 -0.019,635 0.043,636 -0.033,637 -0.077,638 0.126,639 0.189,640 0.186,641 -0.021,642 0.234,643 -0.2,644 -0.307,645 -0.146,646 -0.254,647 -0.095,648 -0.204,649 -0.143,650 0.105,651 -0.091,652 0.017,653 -0.107,654 -0.019,655 -0.119,656 0.069,657 -0.102,658 0.051,659 -0.147,660 -0.013,661 1.889,662 3.752,663 0.727,664 17.636,665 1.007,666 1.119,667 1.278,668 1.634,669 0.689,670 3.219,671 3.526,672 3.784,673 3.932,674 4.094,675 4.06,676 4.127,677 4.22,678 4.29,679 4.263,680 5.872,681 0.666,682 293.35,683 3.219,684 4.745,685 5.587,686 6.454,687 7.318,688 8.193,689 9.069,690 9.951,691 10.834,692 11.722,693 8.1,702 2,703 1,709 8,710 1,714 3,716 12,735 37,737 15,738 1,739 24,741 39,742 17,743 11,744 2,745 4,746 4,748 3,749 3,754 1,762 15,763 2,767 3,775 2,776 4,779 1,780 1,783 15,784 5,785 2,786 5,792 3,797 1,798 2,809 1,814 1,816 2,826 2,834 2,841 2,843 3,847 1,851 22,857 2,858 1,874 5.4,876 2,881 11.333,882 6.917,883 4.861,884 2.053,886 3.534,887 1.527,888 0.942,889 3.923,890 10.239,891 3.526,892 4.127,893 4.691,894 5.168,895 5.654,896 5.794,897 6.186,898 6.607,899 7.007,900 7.275,901 0.857,902 29,903 8.089,905 3.431,906 7.871,907 15.151,909 12.129,911 2.371,912 52.167,916 153.024,917 100.525,918 50.357,920 85.367,923 100.525,924 238.391,925 50.357,926 8.825,927 2.106,928 56.857,929 131.208,930 60.794,932 129.482,934 153.024,935 150.881,936 85.367,939 153.024,940 85.367,943 62.597,944 71.499,945 16.786,947 153.024,948 135.723,949 100.525,952 153.024,953 16.747,954 83.778,956 135.723,957 153.024,958 135.723,959 100.525,961 0.58,962 0.338,963 0.167,964 0.09,965 16,966 7,967 0.077,968 3,970 1,971 3.558,972 164.203,974 16,975 90.107,981 14.332,982 6.021,983 3.038,985 135.723,986 14.644,987 3.909,991 2.855,993 85.367,994 389.272,995 33,1003 8.622,1004 0.199,1007 37.262,1008 41.405,1009 0.3,1010 0.673,1011 0.781,1012 0.84,1013 0.872,1014 0.882,1015 4.745,1016 1,1017 5.565,1018 2.971,1019 4.205,1020 4.812,1021 1.093,1022 6.358,1023 4.135,1024 5.965,1025 1,1026 7.116,1027 2.275,1028 3.761,1029 4.494,1031 7.239,1032 3.658,1033 7.28,1034 0.685,1035 8.771,1036 2.136,1037 5.802,1038 6.999,1039 0.722,1040 10.426,1041 5.672,1042 8.636,1043 0.117,1044 10.492,1045 1.621,1046 6.236,1047 7.521,1049 12.235,1050 6.056,1051 10.026,1052 -0.241,1053 12.259,1054 0.282,1055 7.735,1056 9.459,1057 0.469,1058 14.964,1059 7.53,1060 11.444,1061 -0.578,1062 14.061,1063 -0.547,1064 8.577,1065 10.395,1067 17.152,1068 8.312,1069 12.883,1070 -1,1071 15.891,1072 -1.326,1073 9.868,1074 12.072,1075 0.302,1076 19.722,1077 9.572,1078 3.297,1079 -1,1080 17.744,1081 -2.347,1082 10.899,1083 13.23,1085 22.063,1086 10.541,1087 2.615,1088 11.621,1089 19.616,1090 -2.765,1091 12.114,1092 14.777,1093 0.194,1094 24.57,1095 11.718,1096 2.489,1097 7.176,1098 21.502,1099 4.221,1100 13.232,1101 16.058,1103 26.973,1104 12.777,1105 2.11,1106 7.084,1107 23.4,1108 3.615,1109 14.423,1110 17.541,1111 0.124,1112 29.451,1113 13.925,1114 1.613,1115 5.718,1116 25.307,1117 3.462,1118 15.58,1119 18.889,1121 31.882,1122 15.026,1123 1.58,1124 4.768,1125 27.222,1126 2.728,1127 16.766,1128 20.343,1129 0.079,1130 34.347,1131 16.166,1132 1.279,1133 4.496,1134 29.142,1135 2.304,1136 17.94,1137 21.728,1139 36.79,1140 17.288,1141 5121,1142 8700,1143 16.008,1144 25.495,1145 36.23,1146 36.312,1147 37.132,1148 35.547,1149 35.573,1150 48.251,1151 2.79,1152 100.295,1153 34.208,1154 5.534,1155 5.602,1156 6.752,1157 5.29,1158 5.297,1159 7.221,1160 1.59,1161 19.621,1162 5.151,1163 10.106,1164 1.51,1165 1.513,1166 1.547,1167 1.481,1168 1.482,1169 2.01,1170 0.116,1171 4.179,1172 1.425,1173 3.996,1174 4.026,1175 3.962,1176 3.904,1177 6.539,1178 3.908,1179 3.895,1180 3.927,1181 3.836,1182 3.807,1183 6.391,1184 3.816,1185 3.757,1186 3.787,1187 3.711,1188 3.641,1189 4.958,1190 3.654,1191 3.303,1192 3.371,1193 3.164,1194 3.162,1195 4.772,1196 3.152,1197 2.935,1198 3.034,1199 2.815,1200 2.735,1201 4.608,1202 2.715,1203 2.865,1204 2.925,1205 2.736,1206 2.735,1207 4.202,1208 2.715,1209 2.854,1210 2.925,1211 2.687,1212 2.693,1213 3.835,1214 2.686,1215 2.854,1216 2.923,1217 2.687,1218 2.589,1219 3.674,1220 2.633,1221 0.195,1222 0.15,1223 0.29,1224 0.177,1225 0.137,1226 4.674,1227 0.176,1228 3.602,1229 0.033,1230 6.95,1231 0.484,1232 4.255,1233 0.131,1234 3.297,1235 4.221,1236 0.795,1237 11.621,1238 3.151,1239 1.945,1240 1.917,1241 2.062,1242 2.051,1243 1.19,1244 2.048,1245 1.867,1246 1.84,1247 1.949,1248 1.985,1249 0.989,1250 1.984,1251 1.707,1252 1.682,1253 1.781,1254 1.852,1255 0.862,1256 1.834,1257 1.309,1258 1.245,1259 1.583,1260 1.503,1261 0.723,1262 1.533,1263 0.928,1264 0.828,1265 1.291,1266 1.211,1267 0.405,1268 1.242,1269 0.886,1270 0.821,1271 1.181,1272 1.062,1273 0.218,1274 1.107,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.728,1282 0.666,1283 0.902,1284 1.045,1286 0.996,1287 3.892,1289 5.242,1291 6.81,1293 8.466,1295 10.164,1297 2.022,1302 19.496,1303 0.419,1314 24.655,1315 57.905,1316 129.63,1317 150.485,1318 161.995,1319 167.995,1320 169.995,1321 35.739,1322 6.706,1323 78.07,1324 78.07,1325 16,1326 12.254,1327 4,1328 3.322,1329 34.508,1330 75,1331 80,1332 0.219,1333 153.689,1334 270.6,1335 366.761,1336 6789,1338 15.527,1339 0.706,1340 0.548,1341 15.527,1342 12.062,1343 10.648,1344 0.444,1345 0.286,1346 6.789,1347 10.319,1348 6.592,1349 5.504,1350 10.648,1351 6.87,1352 9.489,1353 0.288,1354 0.152,1355 9.489,1356 5.013,1357 8.104,1358 0.188,1359 0.078,1360 8.104,1361 3.341,1362 6.023,1363 0.12,1364 0.04,1365 6.023,1366 1.991,1367 4.768,1368 0.081,1369 0.023,1370 4.768,1371 1.334,1372 0.345,1373 66.404,1374 0.25,1375 21.969,1376 0.597,1377 114,1378 341.235,1379 123.37,1380 336.876,1381 459.57,1382 314,1383 133,1384 337.103,1385 143.728,1386 345.45,1387 502.44,1388 324,1389 5.5}
{0 CHEMBL1994938,1 1.721,2 13.8,3 3.081,4 9.489,5 127.56,6 9.649,7 0.636,8 4.017,9 4.131,10 3.844,11 3.661,12 5.165,13 3.612,14 4.502,15 4.655,16 4.23,17 4.059,18 5.621,19 3.977,20 4.714,21 4.908,22 4.249,23 4.163,24 5.74,25 4.038,26 4.752,27 4.953,28 4.184,29 4.146,30 5.791,31 4.013,32 4.718,33 4.927,34 4.049,35 4.068,36 5.751,37 3.928,38 4.648,39 4.859,40 4.141,41 3.953,42 5.813,43 3.845,44 4.544,45 4.754,46 4.268,47 3.908,48 5.664,49 3.777,50 4.468,51 4.679,52 4.038,53 3.77,54 5.673,55 3.645,56 0.043,57 0.75,58 6.624,59 4.204,60 9.611,61 4.982,62 0.223,63 1.203,64 15.337,65 7.437,66 21.718,67 8.758,68 0.226,69 1.382,70 30.083,71 10.483,72 32.352,73 12.355,74 0.308,75 1.47,76 34.114,77 11.125,78 38.362,79 12.864,80 0.217,81 1.405,82 28.551,83 11.162,84 35.501,85 12.933,86 0.43,87 1.318,88 25.876,89 9.297,90 49.648,91 10.713,92 0.2,93 1.133,94 36.034,95 9.404,96 30.046,97 10.421,98 0.359,99 1.024,100 24.653,101 8.181,102 53.813,103 9.678,104 10,105 45,106 0.285,107 0.673,108 0.843,109 0.882,110 0.882,111 0.882,112 3.44,113 1.011,114 -4.54,115 -4.47,116 -4.21,117 1,119 44,121 1,125 2,135 2,142 4,143 4,144 1,145 2,147 1,151 2,152 1,158 1,160 1,163 1,164 1,165 1,172 8,174 1,175 4,177 1,178 2,180 3,183 14,185 1,188 3,193 2,196 12,198 1,200 6,203 1,205 4,208 10,210 3,213 2,218 3,221 8,223 3,224 2,225 5,228 2,230 5,233 7,235 3,238 2,243 1,246 5,249 1,250 5,252 1,253 1,254 1,255 2,257 1,258 5,260 1,264 3,269 2,272 2,276 1670,277 20.482,278 20.482,279 20.482,280 20.482,281 20.482,282 17.693,283 15.488,284 12.265,285 21.11,286 16.292,287 16.292,288 16.292,289 16.292,290 16.292,291 12.07,292 13.868,293 5.846,294 17.341,295 3.923,296 1.581,297 0.56,298 0.32,299 0.32,300 0.32,301 4.136,306 1,307 901,308 3.606,311 165.413,312 179.242,315 131.015,319 2.2,320 22.045,323 1,324 0.83,325 1,326 0.6,328 1,329 1,330 0.78,331 63.25,332 414,333 4.725,334 3.456,335 6.972,336 4.252,337 3.286,338 4.705,339 1.058,340 11.822,341 3.175,342 4.095,343 3.298,344 6.077,345 3.675,346 2.698,347 3.707,349 8.749,350 2.634,351 3.92,352 2.9,353 5.532,354 3.464,355 2.545,356 3.479,358 6.999,359 2.388,360 3.815,361 2.647,362 5.353,363 3.395,364 2.414,365 3.251,367 6.973,368 2.318,369 3.64,370 2.571,371 5.031,372 3.222,373 2.275,374 2.936,376 6.058,377 2.145,378 3.506,379 2.272,380 5.029,381 3.043,382 2.133,383 2.862,385 5.96,386 1.86,387 3.201,388 1.841,389 4.684,390 2.672,391 1.768,392 2.475,394 4.86,395 1.546,396 2.763,397 1.732,398 4.172,399 2.513,400 1.542,401 1.817,403 3.275,404 1.488,405 2.603,406 1.31,407 3.702,408 2.083,409 1.15,410 1.614,412 3.133,413 1.063,414 2.527,415 1.186,416 3.647,417 2.026,418 1.086,419 1.5,421 2.483,422 1,423 2.5,424 1.018,425 3.414,426 2,427 1,428 1.469,430 2.275,431 0.993,432 2.343,433 1,434 3.343,435 1.81,436 0.92,437 1.276,439 2.269,440 0.8,441 2.176,442 0.803,443 3.079,444 1.554,445 0.635,446 0.927,448 1.467,449 0.577,450 2.118,451 0.623,452 3,453 1.543,454 0.618,455 0.909,457 1.372,458 0.565,459 1.461,460 0.618,461 2.729,462 1.22,463 0.261,464 0.299,466 0.573,467 0.248,468 15.5,469 0.517,470 0.644,471 0.021,472 40.75,473 1.358,474 21.5,475 0.717,476 19.25,477 0.642,478 25.16,479 0.839,480 30.1,481 0.602,482 28.182,483 0.939,484 7.764,485 0.259,486 6.851,487 0.228,488 0.133,490 0.284,496 0.829,497 1.147,498 0.517,499 0.751,500 0.705,501 0.781,502 0.8,503 0.886,504 0.641,505 0.779,506 0.56,507 0.842,508 1.003,509 0.933,510 0.934,511 0.899,512 0.928,513 0.959,514 1.042,515 0.999,516 0.839,517 1.026,518 1.148,519 1.012,520 0.979,521 1.148,522 0.534,523 1.072,524 1.058,525 1.059,526 1.134,527 0.968,528 0.63,529 0.898,530 1.461,531 0.926,532 1.143,533 1.019,534 0.912,535 0.906,536 1.228,537 0.944,538 1.02,539 0.94,540 0.843,541 0.993,542 1.364,543 1.006,544 5,545 0.116,546 3.333,547 1.5,548 1.567,549 0.848,550 0.587,551 0.495,552 0.246,553 0.176,554 13619,555 41105,556 2.107,557 40,559 10,560 2,561 3,562 3,565 2,567 1.724,568 2,569 3.71,570 0.9,572 1,577 86.037,578 1.721,579 4.062,580 5.084,581 5.324,582 5.324,583 5.324,584 3.236,585 4.482,586 4.871,587 3.917,588 1703.81,589 8.477,590 24878.8,595 282.193,596 1.295,597 4.851,598 0.152,599 0.005,600 0.074,601 0.035,602 0.038,603 0.023,604 0.016,605 0.015,606 0.009,607 0.008,608 0.375,609 0.17,610 0.88,611 0.496,612 157.569,613 -0.094,614 -0.054,615 0.005,616 0.044,617 -0.082,618 0.042,619 0.036,620 0.194,622 0.087,623 0.084,624 0.031,625 -0.128,626 0.04,627 -0.039,628 0.051,629 -0.063,630 0.008,631 -0.087,632 -0.002,633 -0.059,634 -0.032,635 -0.127,636 -0.036,637 -0.071,638 -0.162,639 -0.015,640 -0.096,641 -0.037,642 -0.072,643 0.118,644 0.053,645 0.034,646 0.024,647 -0.021,648 0.011,649 -0.055,650 -0.056,651 0.122,652 0.07,653 -0.011,654 0.037,655 0.226,656 -0.001,657 0.066,658 -0.027,659 0.191,660 -0.024,661 1.796,662 5.176,663 0.667,664 36.778,665 1.004,666 1.116,667 3.314,668 10.981,669 0.731,670 3.526,671 3.829,672 4.094,673 4.357,674 4.533,675 4.625,676 4.736,677 4.89,678 4.905,679 4.89,680 7.956,681 0.685,682 482.44,683 3.526,684 5.056,685 5.9,686 6.77,687 7.636,688 8.516,689 9.395,690 10.283,691 11.172,692 12.067,693 10,697 1,700 1,701 1,703 2,708 2,709 9,710 2,713 1,714 5,715 1,716 21,727 1,734 1,735 50,737 23,738 1,739 33,740 1,741 53,742 22,743 16,744 2,745 4,746 3,748 4,749 5,760 1,762 19,763 3,767 2,772 1,774 2,776 1,783 20,784 5,785 3,786 8,787 2,789 1,792 5,797 0.75,798 1,809 1,815 2,816 2,819 1,829 1,834 2,843 3,845 1,846 1,851 30,852 1,858 3,860 1,869 1,873 1,874 2,877 1,881 15,882 8.826,883 6.639,884 2.852,886 4.339,887 1.564,888 1.024,889 6.726,890 12.026,891 3.839,892 4.454,893 5.083,894 5.703,895 6.195,896 6.596,897 7.052,898 7.539,899 7.844,900 8.135,901 1,902 43,903 11.038,905 4.636,906 7.697,907 21.138,909 17.212,911 2.197,912 65.917,916 200.109,917 161.254,918 132.332,920 25.145,922 31.278,923 175.931,924 225.254,925 86.378,927 24.757,928 106.451,929 107.353,930 35.179,931 26.616,932 172.531,933 45.954,934 200.109,935 216.355,936 25.145,937 31.278,938 45.954,939 176.567,940 48.687,943 53.369,944 110.462,945 52.524,946 77.232,947 200.109,948 111.523,949 207.208,952 200.109,953 60.987,954 102.167,955 63.965,956 91.613,957 200.109,958 111.523,959 207.208,961 0.575,962 0.332,963 0.178,964 0.093,965 21,966 9,967 0.132,968 7,969 1,970 1.1,971 4.318,972 257.316,973 0.1,974 20,975 143.207,977 1,981 20.916,982 9.647,983 5.059,984 1.94,985 109.624,986 17.314,987 8.352,990 1.602,991 4.518,992 1.985,993 50.908,994 518.84,995 45.5,1000 12.176,1002 3.338,1004 -0.129,1007 50.211,1008 55.784,1009 0.305,1010 0.72,1011 0.901,1012 0.943,1013 0.943,1014 0.943,1015 5.051,1016 1.542,1017 5.866,1018 4.86,1019 4.511,1020 5.142,1021 1.176,1022 6.658,1023 4.398,1024 6.261,1025 1.15,1026 7.409,1027 3.275,1028 4.007,1029 4.902,1031 7.557,1032 3.844,1033 7.564,1034 1.086,1035 9.056,1036 3.133,1037 6.075,1038 7.387,1039 1.255,1040 10.686,1041 5.886,1042 8.909,1043 1,1044 10.77,1045 2.483,1046 6.447,1047 8.07,1049 12.517,1050 6.223,1051 10.29,1052 0.92,1053 12.53,1054 2.275,1055 7.941,1056 9.963,1057 1.338,1058 15.181,1059 7.692,1060 11.699,1061 0.635,1062 14.324,1063 2.269,1064 8.726,1065 11.092,1067 17.395,1068 8.448,1069 13.129,1070 0.618,1071 16.144,1072 1.467,1073 10.002,1074 12.757,1075 1.422,1076 19.921,1077 9.699,1078 3.286,1079 0.261,1080 17.986,1081 1.372,1082 10.991,1083 14.107,1085 22.29,1086 10.659,1087 2.698,1088 11.822,1089 19.844,1090 0.573,1091 12.189,1092 15.686,1093 1.51,1094 24.774,1095 11.83,1096 2.545,1097 8.749,1098 21.717,1099 4.705,1100 13.279,1101 17.142,1103 27.203,1104 12.888,1105 2.414,1106 6.999,1107 23.602,1108 3.707,1109 14.454,1110 18.693,1111 1.599,1112 29.675,1113 14.035,1114 2.275,1115 6.973,1116 25.497,1117 3.479,1118 15.592,1119 20.198,1121 32.128,1122 15.139,1123 2.133,1124 6.058,1125 27.399,1126 3.251,1127 16.765,1128 21.742,1129 1.69,1130 34.597,1131 16.282,1132 1.768,1133 5.96,1134 29.308,1135 2.936,1136 17.926,1137 23.269,1139 37.059,1140 17.409,1141 12837,1142 22457,1143 22.364,1144 36.574,1145 49.418,1146 49.868,1147 49.709,1148 48.856,1149 48.661,1150 66.45,1151 2.117,1152 136.539,1153 45.6,1154 5.629,1155 5.456,1156 6.689,1157 5.357,1158 5.286,1159 7.705,1160 2.117,1161 19.203,1162 5.175,1163 12.612,1164 1.498,1165 1.511,1166 1.506,1167 1.48,1168 1.475,1169 2.014,1170 0.064,1171 4.138,1172 1.382,1173 4.118,1174 4.129,1175 6.88,1176 4.129,1177 7.43,1178 4.086,1179 3.932,1180 4.001,1181 4.339,1182 3.813,1183 5.186,1184 3.786,1185 3.837,1186 3.86,1187 3.866,1188 3.725,1189 4.953,1190 3.75,1191 3.668,1192 3.718,1193 3.708,1194 3.511,1195 4.778,1196 3.516,1197 3.44,1198 3.493,1199 3.623,1200 3.325,1201 4.625,1202 3.309,1203 3.277,1204 3.326,1205 3.449,1206 3.141,1207 4.282,1208 3.13,1209 3.098,1210 3.175,1211 3.275,1212 2.937,1213 4.198,1214 2.902,1215 2.858,1216 2.959,1217 3.014,1218 2.796,1219 4.036,1220 2.736,1221 0.143,1222 0.105,1223 0.211,1224 0.129,1225 0.1,1226 4.725,1227 0.143,1228 3.456,1229 0.032,1230 6.972,1231 0.358,1232 4.252,1233 0.096,1234 3.286,1235 4.705,1236 1.058,1237 11.822,1238 3.175,1239 1.962,1240 1.945,1241 2.016,1242 2.032,1243 1.235,1244 2.032,1245 1.845,1246 1.828,1247 1.941,1248 1.947,1249 1.181,1250 1.952,1251 1.716,1252 1.648,1253 1.886,1254 1.902,1255 1.042,1256 1.913,1257 1.514,1258 1.477,1259 1.643,1260 1.731,1261 0.74,1262 1.705,1263 1.374,1264 1.35,1265 1.543,1266 1.535,1267 0.668,1268 1.546,1269 1.308,1270 1.26,1271 1.447,1272 1.511,1273 0.524,1274 1.503,1275 1.228,1276 1.158,1277 1.322,1278 1.351,1279 0.419,1280 1.397,1281 0.917,1282 0.841,1283 1.194,1284 1.24,1285 0.225,1286 1.239,1287 4.205,1289 5.509,1290 3.045,1291 6.997,1292 5.283,1293 8.578,1294 7.31,1295 10.216,1296 3.466,1301 6.191,1303 2.259,1305 2.906,1314 34.248,1315 86.037,1316 203.12,1317 254.193,1318 266.193,1319 266.193,1320 266.193,1321 46.454,1322 7.687,1323 85.83,1324 114.07,1325 22,1326 12.594,1327 4.585,1328 3.755,1329 47.374,1330 140,1331 148,1332 0.16,1333 221.039,1334 368.66,1335 531.096,1336 25630,1337 2,1338 20.924,1339 0.697,1340 0.616,1341 22.278,1342 18.488,1343 14.614,1344 0.443,1345 0.337,1346 9.469,1347 13.167,1348 9.15,1349 7.573,1350 15.646,1351 11.121,1352 12.935,1353 0.287,1354 0.19,1355 14.275,1356 8.533,1357 10.808,1358 0.183,1359 0.106,1360 12.105,1361 6.231,1362 8.855,1363 0.115,1364 0.059,1365 10.13,1366 4.507,1367 6.826,1368 0.074,1369 0.033,1370 8.073,1371 3.035,1372 0.259,1373 103.485,1374 0.211,1375 29.069,1376 0.416,1377 156,1378 439.831,1379 254.416,1380 492.964,1381 664.29,1382 460,1383 182,1384 446.699,1385 241.993,1386 484.312,1387 703.19,1388 455,1389 5.1}
{0 CHEMBL1995172,1 1.578,2 4.923,3 3.114,4 9.696,5 55.812,6 11.755,7 0.733,8 3.16,9 3.262,10 3.133,11 2.885,12 4.257,13 2.843,14 3.651,15 3.775,16 3.593,17 3.324,18 4.7,19 3.258,20 3.785,21 3.946,22 3.528,23 3.334,24 4.75,25 3.205,26 3.69,27 3.911,28 3.311,29 3.074,30 4.607,31 2.918,32 3.332,33 3.576,34 3.355,35 2.689,36 4.267,37 2.513,38 2.8,39 3.033,40 2.909,41 2.149,42 3.731,43 1.891,44 1.948,45 2.221,46 0.84,47 1.172,48 2.565,49 0.824,50 0.635,51 0.899,52 0.007,53 0.135,54 0.693,55 0.067,56 0.038,57 0.283,58 0.451,59 1.409,60 3.267,61 1.716,62 0.031,63 0.45,64 1.633,65 2.632,66 4.149,67 3.156,68 0.048,69 0.496,70 12.568,71 4.004,72 6.303,73 4.603,74 0.087,75 0.482,76 10.483,77 3.738,78 9.385,79 4.183,80 0.079,81 0.323,82 7.449,83 2.891,84 8.151,85 3.294,86 0.081,87 0.171,88 14.175,89 2.202,90 6.445,91 2.003,92 0.039,93 0.063,94 11.94,95 1.237,96 3.069,97 1.099,98 0.004,99 0.011,100 0.8,101 0.161,102 0.428,103 0.22,104 2,105 22,106 0.33,107 0.729,108 0.833,109 0.883,110 0.883,111 0.883,112 2.674,113 0.99,114 -4.11,115 -4.05,116 -3.84,117 1,119 50,121 1,142 3,143 3,144 1,146 1,151 1,168 1,172 6,175 2,180 1,183 10,188 3,193 2,196 8,200 1,205 2,208 2,213 2,218 1,221 2,230 2,276 113,277 8.947,278 8.947,279 8.947,280 8.947,281 8.947,282 7.612,283 8.92,284 5.181,285 9.172,286 7.426,287 7.426,288 7.426,289 7.426,290 7.426,291 5.43,292 10.97,293 2.476,294 7.843,295 2.744,296 0.838,297 0.338,298 0.1,299 0.1,300 0.1,301 3.339,305 1,306 1,307 143,308 1.581,311 33.554,312 21.003,314 27.308,315 30.484,318 42.419,319 0.722,320 5.409,323 1,324 0.83,325 1,326 0.4,328 1,329 1,330 0.75,331 26.75,332 64,333 4.562,334 3.375,335 6.763,336 4.206,337 3.218,338 4.258,339 0.68,340 11.122,341 3.176,342 3.865,343 2.83,344 5.613,345 3.372,346 2.435,347 3.451,349 7.3,350 2.286,351 3.375,352 2.278,353 4.971,354 2.906,355 2,356 2.687,358 5.766,359 1.748,360 3.011,361 1.927,362 4.815,363 2.682,364 1.701,365 2.17,367 5.12,368 1.597,369 2.577,370 1.215,371 3.731,372 2.11,373 1.137,374 1.608,376 2.692,377 1.098,378 2.299,379 0.828,380 3.415,381 1.777,382 0.813,383 1.202,385 2.048,386 0.781,387 1.543,388 0.6,389 2.941,390 1.177,391 0.243,392 0.307,394 0.604,395 0.202,396 0.783,397 -0.013,398 2.405,399 0.33,400 -0.505,401 -0.613,403 -1.26,404 -0.298,405 0.591,406 -0.797,407 2.273,408 0.159,409 -0.833,410 -1.152,412 -2.559,413 -0.824,414 0.004,415 -0.861,416 1.9,417 -0.427,418 -1.277,419 -1.537,421 -3.111,422 -1.012,423 -0.038,424 -1.332,425 1.531,426 -0.538,427 -1.422,428 -1.92,430 -3.806,431 -1.381,432 -0.152,433 -1.544,434 1.342,435 -0.686,436 -1.607,437 -2.259,439 -4.89,440 -1.539,441 -0.5,442 -1.711,443 1.091,444 -0.94,445 -1.903,446 -2.5,448 -5.687,449 -1.883,450 -0.65,451 -1.956,452 0.702,453 -1,454 -2,455 -2.702,457 -6.323,458 -1.952,459 -0.768,460 -2,461 0.51,462 -1.027,463 -2,464 -3,465 -0.68,466 -7.015,467 -2,468 7.133,469 0.549,470 0.329,471 0.025,472 18,473 1.385,474 10,475 0.769,476 8,477 0.615,478 8.638,479 0.664,480 12.067,481 0.603,482 7.831,483 0.602,484 3.292,485 0.253,486 3.051,487 0.235,488 0.187,490 0.35,496 0.617,497 0.737,498 0.436,499 0.537,500 0.646,501 0.623,502 0.797,503 0.961,504 0.518,505 0.653,506 0.765,507 0.746,508 0.866,509 1.162,510 0.982,511 1.138,512 0.966,513 1.176,514 1.187,515 1.039,516 0.813,517 0.943,518 1.205,519 1.078,520 0.897,521 1.047,522 0.974,523 0.919,524 0.892,525 0.896,526 1.66,527 1.051,528 2.591,529 1.883,530 1.502,531 1.413,532 2.38,533 0.62,534 3.692,535 2.54,536 2.054,537 1.782,544 2.5,546 1.556,547 0.979,548 0.493,549 0.261,550 0.056,554 1078,555 3357,556 2.216,557 35,558 2,559 3,560 1,562 1,567 1.488,568 2.108,569 2.416,570 -0.202,574 1,577 31.568,578 1.578,579 3.484,580 3.984,581 4.222,582 4.222,583 4.222,584 1.826,585 3.239,586 3.679,587 2.394,588 186.717,589 6.108,590 1337.68,592 1,595 86.439,596 1.296,597 3.648,598 0.167,600 0.071,601 0.054,602 0.041,603 0.033,604 0.019,608 0.384,609 1,610 1,611 0.569,612 45.532,613 0.125,614 0.269,615 -0.003,616 0.079,617 0.043,618 0.066,619 -0.088,620 -0.006,621 0.007,622 0.041,623 -0.033,624 0.02,625 -0.099,626 -0.277,627 -0.108,628 -0.248,629 -0.137,630 -0.269,631 -0.194,632 -0.059,633 -0.027,634 -0.019,635 -0.169,636 -0.095,637 0.236,638 -0.086,639 0.125,640 0.185,641 0.267,642 0.213,643 -0.034,644 -0.097,645 -0.246,646 -0.296,647 -0.126,648 -0.178,649 -0.722,650 0.241,651 -0.769,652 -0.607,653 -0.626,654 -0.285,655 0.75,656 0.835,657 0.423,658 1.262,659 1.184,660 1.714,661 0.559,662 1.233,663 0.923,664 4.899,665 1.004,666 1.104,667 2.877,668 8.279,669 0.782,670 2.773,671 3.135,672 3.466,673 3.807,674 3.97,675 4.025,676 4.094,677 3.989,678 3.664,679 3.434,680 3.132,681 0.732,682 235.09,683 2.773,684 4.317,685 5.198,686 6.107,687 7.009,688 7.923,689 8.832,690 9.746,691 10.657,692 11.571,693 10,701 1,703 1,709 4,710 1,711 1,714 5,716 11,734 1,735 20,737 11,738 1,739 15,740 1,741 22,742 10,743 9,744 3,745 3,748 3,749 6,757 1,760 1,762 9,763 1,783 7,784 1,785 1,786 3,787 1,792 2,797 0.333,807 1,815 2,816 1,818 1,819 1,822 1,843 1,846 1,851 13,858 1,873 1,881 6.167,882 3.676,883 2.75,884 1.184,886 2.203,887 1.363,888 1.094,889 1.457,890 8.279,891 3.068,892 3.732,893 4.365,894 5.009,895 5.457,896 5.768,897 6.158,898 6.415,899 6.466,900 6.569,901 1,902 18,903 4.772,904 -0.003,905 2.068,906 7.506,907 9.331,908 -0.001,909 8.03,910 -0.001,911 2.006,912 26.083,913 0.012,916 70.627,917 55.379,918 79.28,923 101.333,924 70.627,925 33.326,927 2.535,928 37.476,929 16.663,930 32.032,931 11.771,932 58.856,933 45.954,934 70.627,935 88.705,938 45.954,939 70.627,943 21.954,944 50.088,945 16.663,946 45.954,947 70.627,948 33.326,949 101.333,952 70.627,953 17.903,954 37.476,955 62.617,956 16.663,957 70.627,958 33.326,959 101.333,961 0.592,962 0.353,963 0.205,964 0.11,965 14,966 5,969 2,970 1.333,971 2.58,972 88.026,973 0.333,974 12,975 48.106,981 7.479,982 2.532,983 1.009,985 16.663,986 8.334,987 4.233,988 2.895,991 6.145,993 16.663,994 205.286,995 20.5,1007 20.084,1008 22.084,1009 0.365,1010 0.806,1011 0.922,1012 0.977,1013 0.977,1014 0.977,1015 4.301,1016 -0.505,1017 5.198,1018 0.604,1019 3.807,1020 4.413,1021 0.655,1022 6.057,1023 3.718,1024 5.53,1025 -0.833,1026 6.779,1027 -1.26,1028 3.434,1029 4.227,1031 7.018,1032 3.266,1033 6.854,1034 -1.277,1035 8.46,1036 -2.559,1037 5.434,1038 6.653,1039 0.356,1040 10.166,1041 5.306,1042 8.219,1043 -1.422,1044 10.201,1045 -3.111,1046 5.916,1047 7.321,1049 12.007,1050 5.756,1051 9.617,1052 -1.607,1053 11.982,1054 -3.806,1055 7.388,1056 9.181,1057 0.18,1058 14.663,1059 7.247,1060 11.04,1061 -1.903,1062 13.791,1063 -4.89,1064 8.26,1065 10.247,1067 16.857,1068 8.107,1069 12.482,1070 -2,1071 15.621,1072 -5.687,1073 9.535,1074 11.872,1075 0.087,1076 19.352,1077 9.385,1078 3.218,1079 -2,1080 17.468,1081 -6.323,1082 10.577,1083 13.132,1085 21.681,1086 10.421,1087 2.435,1088 11.122,1089 19.328,1090 -7.015,1091 11.78,1092 14.654,1093 0.041,1094 24.12,1095 11.62,1096 2,1097 7.3,1098 21.198,1099 4.258,1100 12.895,1101 16.008,1103 26.5,1104 12.727,1105 1.701,1106 5.766,1107 23.076,1108 3.451,1109 14.073,1110 17.486,1111 0.019,1112 28.919,1113 13.898,1114 1.137,1115 5.12,1116 24.961,1117 2.687,1118 15.219,1119 18.886,1121 31.317,1122 15.034,1123 0.813,1124 2.692,1125 26.851,1126 2.17,1127 16.389,1128 20.345,1129 0.009,1130 33.73,1131 16.194,1132 0.243,1133 2.048,1134 28.745,1135 1.608,1136 17.547,1137 21.768,1139 36.134,1140 17.341,1141 1065,1142 1937,1143 10.345,1144 15.648,1145 23.327,1146 23.457,1147 23.428,1148 23.3,1149 23.095,1150 31.366,1151 1.36,1152 69.304,1153 21.777,1154 5.329,1155 5.375,1156 6.253,1157 5.233,1158 5.218,1159 7.258,1160 1.36,1161 18.137,1162 5.176,1163 3.843,1164 1.555,1165 1.564,1166 1.562,1167 1.553,1168 1.54,1169 2.091,1170 0.091,1171 4.62,1172 1.452,1173 4.089,1174 4.123,1175 6.88,1176 4.023,1177 5.038,1178 4.02,1179 3.667,1180 3.717,1181 4.025,1182 3.556,1183 4.635,1184 3.549,1185 3.092,1186 3.161,1187 3.522,1188 2.975,1189 3.864,1190 2.943,1191 2.847,1192 2.91,1193 2.839,1194 2.727,1195 3.652,1196 2.718,1197 2.503,1198 2.562,1199 2.719,1200 2.416,1201 3.424,1202 2.356,1203 2.099,1204 2.191,1205 2.227,1206 1.924,1207 3.003,1208 1.908,1209 2.039,1210 2.179,1211 1.928,1212 1.747,1213 2.713,1214 1.713,1215 1.552,1216 1.636,1217 1.707,1218 1.578,1219 2.442,1220 1.386,1221 0.304,1222 0.225,1223 0.451,1224 0.28,1225 0.215,1226 4.562,1227 0.284,1228 3.375,1229 0.045,1230 6.763,1231 0.741,1232 4.206,1233 0.212,1234 3.218,1235 4.258,1236 0.68,1237 11.122,1238 3.176,1239 1.885,1240 1.868,1241 1.951,1242 1.942,1243 1.155,1244 1.956,1245 1.555,1246 1.522,1247 1.69,1248 1.694,1249 0.925,1250 1.692,1251 1.232,1252 1.14,1253 1.391,1254 1.562,1255 0.351,1256 1.527,1257 0.975,1258 0.939,1259 1.163,1260 1.092,1261 0.301,1262 1.128,1263 0.761,1264 0.696,1265 0.981,1266 0.931,1267 0.074,1268 0.973,1269 0.169,1270 0.067,1271 0.575,1272 0.442,1274 0.506,1277 0.306,1278 0.104,1280 0.186,1287 3.434,1289 4.779,1290 3.045,1291 6.315,1292 5.416,1293 7.948,1294 7.526,1295 9.638,1296 3.467,1303 1.008,1314 14.648,1315 31.568,1316 69.684,1317 79.684,1318 84.439,1319 84.439,1320 84.439,1321 10.396,1322 6.075,1323 28.68,1324 28.68,1325 16,1326 12.084,1327 3.585,1328 2.7,1329 16.395,1330 25,1331 21,1332 0.365,1333 95.379,1334 150.76,1335 224.485,1336 2641,1337 5,1338 8.836,1339 0.68,1340 0.648,1341 9.836,1342 8.428,1343 6.343,1344 0.423,1345 0.33,1346 4.175,1347 5.633,1348 4.034,1349 3.305,1350 6.921,1351 4.952,1352 5.933,1353 0.27,1354 0.189,1355 6.749,1356 4.153,1357 5.184,1358 0.167,1359 0.094,1360 5.708,1361 2.92,1362 4.615,1363 0.105,1364 0.049,1365 5.054,1366 2.172,1367 3.618,1368 0.07,1369 0.03,1370 4.2,1371 1.577,1372 0.516,1373 47.386,1374 0.311,1375 12.65,1376 1.175,1377 74,1378 186.632,1379 142.979,1380 224.64,1381 305.75,1382 210,1383 90,1384 207.903,1385 122.011,1386 225.566,1387 331.04,1388 213,1389 5.1}
{0 CHEMBL1995448,1 1.613,2 8.556,3 1.069,4 1.144,5 70.581,6 7.434,7 0.632,8 3.606,9 3.752,10 3.15,11 3.04,12 4.8,13 3.05,14 4.051,15 4.232,16 3.426,17 3.343,18 5.236,19 3.324,20 4.241,21 4.474,22 3.362,23 3.382,24 5.307,25 3.339,26 4.126,27 4.353,28 3.229,29 3.321,30 5.154,31 3.242,32 4.101,33 4.335,34 3.154,35 3.324,36 5.1,37 3.235,38 4.106,39 4.357,40 3.131,41 3.271,42 5.128,43 3.17,44 4.031,45 4.302,46 2.928,47 3.074,48 5.039,49 2.971,50 3.819,51 4.105,52 2.634,53 2.786,54 4.84,55 2.669,56 0.07,57 0.513,58 7.021,59 2.291,60 11.033,61 3.394,62 0.208,63 0.713,64 11.929,65 4,66 23.39,67 5.658,68 0.326,69 0.752,70 15.915,71 4.093,72 31.264,73 6.43,74 0.263,75 0.683,76 13.825,77 4.491,78 22.221,79 6.616,80 0.184,81 0.684,82 13.348,83 4.214,84 20.816,85 6.435,86 0.18,87 0.659,88 13.626,89 4.292,90 21.966,91 6.766,92 0.203,93 0.561,94 13.195,95 3.561,96 24.383,97 5.774,98 0.263,99 0.418,100 11.062,101 2.66,102 26.098,103 4.519,104 8,105 24,106 0.303,107 0.67,108 0.836,109 0.902,110 0.902,111 0.902,112 2.959,113 0.878,114 -2.71,115 -2.73,116 -2.65,119 36.4,125 2,142 5,144 2,145 1,147 1,150 1,163 2,164 2,165 2,172 2,174 1,175 4,177 2,178 3,180 3,183 3,188 1,190 1,191 1,193 1,196 1,200 3,203 2,204 1,205 2,207 1,208 2,210 1,213 1,218 2,221 1,223 2,224 1,225 4,230 3,233 1,235 3,238 1,242 1,243 2,245 1,248 2,249 1,250 1,252 1,253 1,255 1,260 1,266 1,267 1,269 1,274 1,276 388,277 12.301,278 12.301,279 12.301,280 12.301,281 12.301,282 10.801,283 17.853,284 7.741,285 12.687,286 9.398,287 9.398,288 9.398,289 9.398,290 9.398,291 7.209,292 29.817,293 3.695,294 10.044,295 3.431,296 1.477,297 0.594,298 0.242,299 0.242,300 0.242,301 3.62,305 1,306 1,307 317,308 2.449,312 119.986,319 1.444,320 14.654,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 39.5,332 154,333 4.141,334 2.987,335 5.71,336 3.727,337 2.78,338 3.743,339 0.86,340 8.088,341 2.636,342 3.972,343 2.773,344 5.431,345 3.5,346 2.567,347 3.576,348 0.4,349 7.241,350 2.39,351 3.432,352 2.401,353 4.99,354 3.059,355 2.141,356 2.699,358 5.971,359 1.96,360 3.163,361 1.976,362 4.626,363 2.74,364 1.804,365 2.397,367 4.951,368 1.682,369 2.704,370 1.664,371 3.535,372 2.359,373 1.414,374 1.79,376 2.794,377 1.328,378 2.645,379 1.252,380 3.477,381 2.169,382 1.2,383 1.712,385 2.582,386 1.162,387 2.433,388 1.181,389 3.379,390 2.11,391 1.152,392 1.428,394 2.428,395 1.098,396 1.382,397 0.724,398 2.882,399 1.156,400 0.274,401 0.295,403 0.442,404 0.24,405 1.291,406 0.153,407 2.476,408 0.94,414 0.915,415 -0.25,416 2,417 0.508,418 -0.414,419 -0.518,421 -0.928,422 -0.38,423 0.714,424 -0.274,425 2,426 0.327,427 -0.607,428 -0.724,430 -1.243,431 -0.56,432 0.625,433 -0.65,434 1.685,435 0.186,436 -0.767,437 -1.008,439 -1.975,440 -0.725,441 0.267,442 -1.074,443 1.568,444 -0.176,445 -1.144,446 -1.447,448 -2.573,449 -1.105,450 -0.046,451 -1.137,452 1.16,453 -0.284,454 -1.238,455 -1.672,457 -3.188,458 -1.178,459 -0.12,460 -1.292,461 1.048,462 -0.5,463 -1.414,464 -1.866,466 -3.463,467 -1.295,468 8.333,469 0.463,470 0.311,471 0.017,472 25.5,473 1.417,474 13.5,475 0.75,476 12,477 0.667,478 9.986,479 0.555,480 19.867,481 0.602,482 16.026,483 0.89,484 5.272,485 0.293,486 3.503,487 0.195,488 0.096,490 0.24,496 1.145,497 1.373,498 0.86,499 1.06,500 1.324,501 0.915,502 1.029,503 1.1,504 0.912,505 1.138,506 0.76,507 1.039,508 1.448,509 0.961,510 1.057,511 0.853,512 1.06,513 0.885,514 0.921,515 0.971,516 0.987,517 1.077,518 0.729,519 1.067,520 0.992,521 1.055,522 1.054,523 1.065,524 0.935,525 1.071,526 0.622,527 1.163,528 0.902,529 1.164,530 0.716,531 1.092,532 0.989,533 1.044,534 1.016,535 1.074,536 1.033,537 1.051,538 0.942,539 0.871,540 1.033,541 0.906,542 1.042,543 0.971,544 3.5,545 0.037,546 0.889,547 1,548 0.564,549 0.326,550 0.261,551 0.153,552 0.078,553 0.046,554 2799,555 8243,556 2.026,557 45.5,559 9,561 1,562 5,567 1.584,568 1.929,569 3.126,570 3.026,572 1,574 1,577 53.232,578 1.613,579 3.568,580 4.45,581 4.802,582 4.802,583 4.802,584 2.558,585 3.948,586 4.139,587 3.23,588 494.122,589 7.014,590 4769.51,591 1,592 1,595 166.465,596 1.224,597 4.116,598 0.184,599 0.009,600 0.037,601 0.045,602 0.03,603 0.018,604 0.015,605 0.012,606 0.009,607 0.008,608 0.367,609 0.33,610 1,611 1.279,612 77.467,613 -0.201,614 -0.102,615 0.002,616 0.011,617 -0.319,618 0.05,619 0.075,620 0.031,621 0.007,622 -0.102,623 0.132,624 -0.076,625 -0.202,626 0.03,627 -0.068,628 0.097,629 -0.129,630 0.05,631 0.077,632 0.022,633 -0.04,634 -0.047,635 0.053,636 -0.071,637 -0.162,638 -0.041,639 -0.127,640 -0.032,641 -0.138,642 -0.067,643 0.109,644 -0.199,645 0.035,646 -0.138,647 0.104,648 -0.074,649 -0.049,650 -0.133,651 -0.03,652 -0.127,653 -0.044,654 -0.08,655 0.134,656 -0.009,657 -0.009,658 -0.007,659 0.049,660 -0.026,661 1.435,662 1.935,663 0.667,664 13.012,665 1.008,666 1.145,667 1.485,668 2.205,669 0.645,670 2.996,671 3.219,672 3.367,673 3.584,674 3.738,675 3.664,676 3.638,677 3.714,678 3.638,679 3.555,680 5.126,681 0.62,682 245.32,683 2.996,684 4.466,685 5.252,686 6.08,687 6.884,688 7.721,689 8.532,690 9.372,691 10.186,692 11.028,693 15.2,694 1,697 1,701 1,703 2,709 6,710 2,714 4,716 12,727 1,728 1,733 1,735 33,737 12,738 1,739 19,741 34,742 12,743 10,744 2,745 4,748 2,749 2,754 1,762 10,763 2,780 1,783 15,784 6,785 5,786 6,792 5,797 1,798 1,810 1,816 2,836 1,843 2,851 18,852 2,858 2,860 1,861 1,874 3,879 1,881 9.333,882 5.483,883 4.167,884 1.717,886 2.237,887 1.371,888 0.973,889 4.334,890 8.275,891 3.258,892 3.784,893 4.256,894 4.785,895 5.269,896 5.259,897 5.445,898 5.856,899 6.094,900 6.335,901 0.833,902 22,903 6.552,905 2.606,906 7.815,907 12.296,909 9.281,911 2.315,912 41.667,913 0.001,916 117.711,917 75.354,918 117.376,920 11,923 75.354,924 128.711,925 117.376,927 39.595,928 80.278,929 45.342,930 46.058,931 4.227,932 105.94,934 117.711,935 192.73,936 11,939 117.711,940 11,943 68.553,944 90.607,945 33.571,947 117.711,948 128.376,949 75.354,952 117.711,953 18.925,954 56.429,955 18.011,956 110.365,957 117.711,958 128.376,959 75.354,961 0.55,962 0.298,963 0.164,964 0.092,965 10,966 4,967 0.147,968 5,970 1,971 3.134,972 116.954,974 12,975 75.059,981 12.609,982 6.187,983 3.853,985 128.376,986 10.874,987 7.883,991 2.49,993 83.805,994 321.441,995 25,1007 33.254,1008 37.777,1009 0.32,1010 0.707,1011 0.882,1012 0.952,1013 0.952,1014 0.952,1015 4.419,1016 0.274,1017 5.176,1018 2.428,1019 3.892,1020 4.466,1021 1.029,1022 5.849,1023 3.766,1024 5.578,1026 6.637,1027 0.442,1028 3.219,1029 4.007,1031 6.389,1032 3.017,1033 6.834,1034 -0.414,1035 8.189,1037 5.342,1038 6.559,1039 0.763,1040 9.44,1041 5.092,1042 8.122,1043 -0.607,1044 9.792,1045 -0.928,1046 5.442,1047 6.852,1049 10.757,1050 5.108,1051 9.439,1052 -0.767,1053 11.426,1054 -1.243,1055 7.024,1056 8.89,1057 0.597,1058 13.277,1059 6.656,1060 10.774,1061 -1.144,1062 13.082,1063 -1.975,1064 7.53,1065 9.571,1067 14.955,1068 7.081,1069 12.124,1070 -1.238,1071 14.752,1072 -2.573,1073 8.837,1074 11.338,1075 0.47,1076 17.241,1077 8.358,1078 2.78,1079 -1.414,1080 16.432,1081 -3.188,1082 9.567,1083 12.245,1085 19.107,1086 9.011,1087 2.567,1088 8.088,1089 18.12,1090 -3.463,1091 10.729,1092 13.849,1093 0.367,1094 21.282,1095 10.141,1096 2.141,1097 7.241,1098 19.814,1099 3.743,1100 11.583,1101 14.896,1103 23.247,1104 10.924,1105 1.804,1106 5.971,1107 21.513,1108 3.576,1109 12.669,1110 16.397,1111 0.283,1112 25.369,1113 11.975,1114 1.414,1115 4.951,1116 23.216,1117 2.699,1118 13.593,1119 17.533,1121 27.387,1122 12.831,1123 1.2,1124 2.794,1125 24.923,1126 2.397,1127 14.64,1128 18.968,1129 0.217,1130 29.484,1131 13.839,1132 1.152,1133 2.582,1134 26.632,1135 1.79,1136 15.602,1137 20.163,1139 31.531,1140 14.738,1141 2861,1142 5002,1143 12.712,1144 21.29,1145 26.693,1146 27.119,1147 27.638,1148 26.656,1149 26.665,1150 35.28,1151 2.52,1152 68.993,1153 24.994,1154 4.945,1155 4.987,1156 5.573,1157 4.799,1158 4.78,1159 6.743,1160 1.72,1161 13.874,1162 4.636,1163 7.5,1164 1.405,1165 1.427,1166 1.455,1167 1.403,1168 1.403,1169 1.857,1170 0.133,1171 3.631,1172 1.315,1173 3.95,1174 3.99,1175 3.9,1176 3.843,1177 5.236,1178 3.85,1179 3.787,1180 3.835,1181 3.739,1182 3.619,1183 5.027,1184 3.644,1185 3.531,1186 3.614,1187 3.366,1188 3.302,1189 4.837,1190 3.305,1191 3.11,1192 3.21,1193 3.004,1194 2.854,1195 4.618,1196 2.88,1197 2.968,1198 3.058,1199 2.825,1200 2.729,1201 4.306,1202 2.74,1203 2.918,1204 2.994,1205 2.769,1206 2.725,1207 4.036,1208 2.728,1209 2.655,1210 2.769,1211 2.501,1212 2.385,1213 3.683,1214 2.407,1215 2.571,1216 2.657,1217 2.357,1218 2.281,1219 3.465,1220 2.283,1221 0.218,1222 0.157,1223 0.301,1224 0.196,1225 0.146,1226 4.141,1227 0.197,1228 2.987,1229 0.045,1230 5.71,1231 0.426,1232 3.727,1233 0.139,1234 2.78,1235 3.743,1236 0.86,1237 8.088,1238 2.636,1239 1.895,1240 1.867,1241 1.998,1242 2.03,1243 1.081,1244 2.018,1245 1.715,1246 1.665,1247 1.819,1248 1.908,1249 0.962,1250 1.888,1251 1.49,1252 1.413,1253 1.768,1254 1.755,1255 0.769,1256 1.766,1257 1.018,1258 0.934,1259 1.272,1260 1.353,1261 0.226,1262 1.341,1263 0.91,1264 0.822,1265 1.178,1266 1.216,1267 0.172,1268 1.208,1269 0.877,1270 0.821,1271 1.172,1272 1.16,1273 0.069,1274 1.17,1275 0.623,1276 0.495,1277 1.03,1278 0.942,1280 0.981,1281 0.537,1282 0.446,1283 0.827,1284 0.789,1286 0.81,1287 3.664,1289 4.905,1291 6.34,1293 7.866,1295 9.436,1301 10.89,1303 0.976,1305 3.119,1306 5.435,1314 20.456,1315 53.232,1316 117.736,1317 146.855,1318 158.465,1319 158.465,1320 158.465,1321 20.323,1322 6.038,1323 99.08,1324 99.08,1325 12,1326 11.598,1327 3.7,1328 2.807,1329 31.071,1330 54,1331 60,1332 0.283,1333 131.495,1334 217.59,1335 312.608,1336 2783,1338 12.795,1339 0.711,1340 0.546,1341 12.795,1342 9.836,1343 8.775,1344 0.462,1345 0.293,1346 5.457,1347 8.355,1348 5.375,1349 4.491,1350 8.775,1351 5.562,1352 7.414,1353 0.309,1354 0.15,1355 7.414,1356 3.59,1357 5.569,1358 0.199,1359 0.077,1360 5.569,1361 2.167,1362 4.617,1363 0.132,1364 0.041,1365 4.617,1366 1.432,1367 3.551,1368 0.087,1369 0.022,1370 3.551,1371 0.901,1372 0.441,1373 55.472,1374 0.28,1375 18.353,1376 0.775,1377 86,1378 269.983,1379 97.314,1380 262.123,1381 358.7,1382 246,1383 95,1384 266.257,1385 105.039,1386 267.582,1387 383.99,1388 252,1389 5.1}
{0 CHEMBL1995592,1 1.773,2 7.462,3 3.947,4 15.581,5 101.914,6 9.195,7 0.621,8 3.839,9 3.946,10 3.566,11 3.412,12 5.121,13 3.424,14 4.292,15 4.422,16 4.009,17 3.82,18 5.594,19 3.82,20 4.549,21 4.684,22 4.153,23 3.983,24 5.83,25 3.987,26 4.663,27 4.822,28 4.205,29 4.025,30 6.053,31 4.015,32 4.71,33 4.877,34 4.165,35 4.089,36 5.963,37 4.057,38 4.729,39 4.91,40 4.219,41 4.088,42 6.042,43 4.035,44 4.708,45 4.901,46 4.012,47 3.933,48 6.017,49 3.845,50 4.561,51 4.812,52 3.533,53 3.477,54 5.844,55 3.337,56 0.141,57 0.626,58 5.473,59 2.974,60 18.835,61 3.1,62 0.24,63 0.978,64 10.001,65 5.335,66 23.072,67 6.232,68 0.358,69 1.208,70 15.569,71 6.374,72 37.789,73 6.745,74 0.61,75 1.329,76 18.224,77 7.412,78 57.417,79 8.627,80 0.548,81 1.36,82 18.848,83 7.857,84 68.909,85 8.579,86 0.497,87 1.355,88 21.265,89 8.68,90 61.086,91 10.539,92 0.495,93 1.239,94 22.27,95 8.74,96 59.285,97 10.274,98 0.756,99 0.911,100 31.163,101 7.572,102 105.215,103 8.805,104 37,105 44,106 0.309,107 0.694,108 0.797,109 0.891,110 0.891,111 0.891,112 3.307,113 0.839,114 -4.73,115 -4.64,116 -4.36,119 45,120 1,142 6,143 3,144 4,147 2,150 1,157 1,163 2,164 2,165 2,172 5,174 2,175 9,177 3,178 3,180 3,183 9,185 1,188 5,193 2,196 6,199 4,200 9,202 4,203 4,204 1,205 3,207 2,208 10,210 2,211 1,213 5,216 1,218 1,221 11,223 1,225 9,227 1,228 1,230 8,233 8,235 8,238 6,241 1,243 10,246 6,248 7,250 1,255 4,260 3,267 2,268 2,269 2,271 2,276 948,277 17.085,278 17.085,279 17.085,280 17.085,281 17.085,282 14.696,283 24.808,284 9.634,285 17.502,286 14.283,287 14.283,288 14.283,289 14.283,290 14.283,291 10.639,292 41.709,293 4.574,294 15.045,295 3.549,296 1.344,297 0.757,298 0.219,299 0.219,300 0.219,301 3.996,302 1,304 1,305 1,306 1,307 418,308 2.449,312 205.641,316 162.816,319 1.077,320 35.39,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 56.833,332 194,333 4.727,334 3.764,335 7.206,336 4.397,337 3.43,338 4.381,339 0.8,340 12.718,341 3.328,342 4.264,343 3.294,344 6.511,345 3.884,346 2.904,347 3.904,349 10.041,350 2.844,351 4.153,352 2.962,353 6.225,354 3.702,355 2.742,356 3.814,358 9.137,359 2.625,360 3.711,361 2.836,362 5.702,363 3.348,364 2.384,365 3.064,367 7.413,368 2.286,369 3.617,370 2.652,371 5.147,372 3.163,373 2.259,374 2.957,376 6.24,377 2.024,378 3.364,379 2.292,380 4.971,381 2.918,382 2.004,383 2.663,385 5.733,386 1.827,387 3.275,388 2.147,389 4.954,390 2.875,391 1.925,392 2.531,394 5.582,395 1.768,396 3.042,397 2.027,398 4.776,399 2.608,400 1.666,401 2.207,403 4.821,404 1.544,405 2.793,406 1.602,407 4.242,408 2.355,409 1.362,410 1.911,412 3.603,413 1.348,414 2.588,415 1.369,416 3.945,417 2.081,418 1.079,419 1.56,421 2.769,422 1.062,423 1.876,424 0.82,425 3.637,426 1.47,427 0.498,428 0.652,430 1.377,431 0.478,432 1.305,433 0.471,434 3.039,435 0.928,441 1.212,442 0.32,443 2.692,444 0.791,445 -0.188,446 -0.246,448 -0.472,449 -0.18,450 1.044,451 0.012,452 2.607,453 0.581,454 -0.326,455 -0.433,457 -0.801,458 -0.256,459 0.82,460 -0.124,461 2.363,462 0.446,463 -0.503,464 -0.613,466 -1.242,467 -0.445,468 12.381,469 0.476,470 0.895,471 0.034,472 39,473 1.5,474 21.5,475 0.827,476 17.5,477 0.673,478 19.185,479 0.738,480 26.619,481 0.665,482 30.951,483 1.19,484 7.635,485 0.294,486 4.728,487 0.182,488 0.217,490 0.477,496 0.912,497 1.103,498 0.598,499 0.732,500 0.915,501 0.688,502 0.541,503 0.94,504 0.516,505 0.821,506 0.493,507 0.739,508 1.128,509 1.261,510 0.935,511 1.003,512 0.961,513 0.913,514 0.739,515 0.904,516 0.761,517 0.928,518 0.8,519 0.923,520 1.132,521 0.974,522 0.859,523 0.822,524 1.198,525 0.915,526 0.656,527 1.126,528 0.833,529 1.08,530 0.595,531 1.06,532 1.049,533 1.303,534 1.158,535 1.311,536 1.091,537 1.339,538 1.567,539 0.881,540 1.746,541 1.256,542 1.676,543 1.297,544 6,546 3.333,547 2.875,548 2.698,549 1.535,550 1.193,551 0.571,552 0.316,553 0.031,554 6311,555 21741,556 2.055,557 35,558 3,559 6,562 5,567 1.704,568 1.857,569 2.856,570 2.596,572 1,577 70.906,578 1.773,579 3.978,580 4.565,581 5.103,582 5.103,583 5.103,584 2.208,585 4.47,586 4.674,587 3.003,588 976.04,589 8.17,590 11519.8,592 1,594 1,595 212.877,596 1.526,597 4.598,598 0.207,600 0.076,601 0.058,602 0.053,603 0.031,604 0.025,605 0.017,606 0.021,607 0.005,608 0.493,609 0.17,610 1,611 0.669,612 121.355,613 -0.193,614 0.032,615 -0.024,616 0.134,617 -0.232,618 0.11,619 0.149,620 0.146,621 0.153,622 0.087,623 0.114,624 0.129,625 -0.227,626 -0.186,627 -0.132,628 -0.1,629 -0.146,630 -0.067,631 0.199,632 0.153,633 0.006,634 -0.022,635 0.151,636 -0.039,637 -0.214,638 0.053,639 -0.09,640 0.107,641 -0.22,642 -0.003,643 0.102,644 -0.14,645 0.078,646 -0.106,647 0.137,648 -0.076,649 -0.095,650 -0.371,651 -0.117,652 -0.313,653 -0.075,654 -0.332,655 -0.235,656 -0.028,657 -0.245,658 -0.187,659 -0.298,660 -0.196,661 1.961,662 5.957,663 0.769,664 17.692,665 1.023,666 1.123,667 3.496,668 12.222,669 0.715,670 3.401,671 3.807,672 4.143,673 4.522,674 4.86,675 5.069,676 5.209,677 5.371,678 5.46,679 5.398,680 4.804,681 0.7,682 367.82,683 3.401,684 4.99,685 5.883,686 6.817,687 7.735,688 8.677,689 9.606,690 10.552,691 11.486,692 12.433,693 12.5,697 2,701 1,703 2,709 6,710 2,714 10,716 18,721 1,727 2,730 1,732 1,734 1,735 40,737 19,738 2,739 29,741 43,742 18,743 16,744 6,745 6,746 1,748 4,749 7,750 1,754 1,762 17,763 1,767 1,772 1,776 1,780 1,783 14,784 7,785 5,786 8,787 1,792 5,797 0.5,798 2,810 1,816 4,820 2,843 2,847 1,848 1,851 26,852 2,857 1,864 1,873 1,874 5,876 1,877 1,881 14,882 7.526,883 5.5,884 2.158,886 3.461,887 1.447,888 1.017,889 3.843,890 11.208,891 3.689,892 4.376,893 5.002,894 5.647,895 6.254,896 6.643,897 7.029,898 7.507,899 7.909,900 8.189,901 0.8,902 50,903 9.582,905 4.285,906 8.017,907 17.612,909 14.727,911 2.517,912 65.444,915 1,916 105.94,917 95.942,918 102.49,919 39.149,920 67.828,923 95.942,924 212.917,925 102.49,926 8.825,928 122.652,929 106.533,930 21.695,931 6.555,932 105.94,933 39.149,934 105.94,935 198.432,936 67.828,937 39.149,939 105.94,940 67.828,943 13.849,944 151.012,945 72.72,947 105.94,948 170.318,949 135.091,952 105.94,953 30.259,954 68.807,956 206.342,957 105.94,958 170.318,959 135.091,961 0.603,962 0.36,963 0.211,964 0.127,965 24,966 12,967 0.023,968 1,969 2,970 1.2,971 3.465,972 246.823,973 0.2,974 20,975 122.211,981 16.787,982 5.952,983 2.63,985 170.318,986 9.85,987 8.184,991 3.495,993 108.478,994 411.349,995 39,1000 12.957,1004 -0.295,1007 40.905,1008 44.93,1009 0.333,1010 0.747,1011 0.858,1012 0.959,1013 0.959,1014 0.959,1015 4.966,1016 1.666,1017 5.922,1018 5.582,1019 4.489,1020 5.063,1021 0.673,1022 6.832,1023 4.397,1024 6.226,1025 1.362,1026 7.544,1027 4.821,1028 4.29,1029 5.037,1030 0.325,1031 7.91,1032 4.138,1033 7.573,1034 1.079,1035 9.264,1036 3.603,1037 6.176,1038 7.324,1039 0.379,1040 11.093,1041 6.017,1042 8.951,1043 0.498,1044 11.041,1045 2.769,1046 6.735,1047 8.031,1048 0.268,1049 13,1050 6.537,1051 10.356,1053 12.856,1054 1.377,1055 8.165,1056 9.848,1057 0.239,1058 15.742,1059 7.953,1060 11.783,1061 -0.188,1062 14.698,1064 9.077,1065 10.911,1066 0.188,1067 18.01,1068 8.838,1069 13.227,1070 -0.326,1071 16.561,1072 -0.472,1073 10.346,1074 12.529,1075 0.156,1076 20.604,1077 10.087,1078 3.43,1079 -0.503,1080 18.442,1081 -0.801,1082 11.423,1083 13.777,1084 0.125,1085 23.027,1086 11.138,1087 2.904,1088 12.718,1089 20.336,1090 -1.242,1091 12.642,1092 15.303,1093 0.102,1094 25.575,1095 12.333,1096 2.742,1097 10.041,1098 22.241,1099 4.381,1100 13.794,1101 16.647,1102 0.082,1103 28.062,1104 13.457,1105 2.384,1106 9.137,1107 24.156,1108 3.904,1109 15.002,1110 18.133,1111 0.066,1112 30.599,1113 14.638,1114 2.259,1115 7.413,1116 26.078,1117 3.814,1118 16.19,1119 19.529,1120 0.054,1121 33.115,1122 15.797,1123 2.004,1124 6.24,1125 28.008,1126 3.064,1127 17.4,1128 20.996,1129 0.043,1130 35.651,1131 16.979,1132 1.925,1133 5.733,1134 29.943,1135 2.957,1136 18.605,1137 22.421,1138 0.035,1139 38.18,1140 18.155,1141 6161,1142 11542,1143 18.729,1144 28.602,1145 45.23,1146 46.387,1147 47.882,1148 44.738,1149 44.508,1150 59.285,1151 1.6,1152 138.867,1153 42.268,1154 5.599,1155 5.764,1156 6.491,1157 5.474,1158 5.43,1159 7.381,1160 1.2,1161 20.718,1162 5.328,1163 15.305,1164 1.56,1165 1.6,1166 1.651,1167 1.543,1168 1.535,1169 2.044,1170 0.055,1171 4.789,1172 1.458,1173 4.082,1174 4.109,1175 4.1,1176 3.988,1177 7.427,1178 3.999,1179 3.866,1180 3.888,1181 3.866,1182 3.802,1183 6.471,1184 3.8,1185 3.746,1186 3.789,1187 3.793,1188 3.61,1189 5.281,1190 3.63,1191 3.243,1192 3.288,1193 3.406,1194 3.037,1195 4.977,1196 3.067,1197 3.191,1198 3.264,1199 3.092,1200 3.027,1201 4.926,1202 3.014,1203 3.108,1204 3.193,1205 2.995,1206 2.9,1207 4.638,1208 2.919,1209 2.989,1210 3.06,1211 2.939,1212 2.714,1213 4.401,1214 2.731,1215 2.809,1216 2.864,1217 2.783,1218 2.643,1219 4.206,1220 2.643,1221 0.163,1222 0.13,1223 0.248,1224 0.152,1225 0.118,1226 4.727,1227 0.151,1228 3.764,1229 0.028,1230 7.206,1231 0.439,1232 4.397,1233 0.115,1234 3.43,1235 4.381,1236 0.8,1237 12.718,1238 3.328,1239 2.007,1240 1.986,1241 2.061,1242 2.121,1243 1.215,1244 2.102,1245 1.853,1246 1.834,1247 1.949,1248 1.947,1249 1.071,1250 1.949,1251 1.676,1252 1.638,1253 1.734,1254 1.84,1255 0.761,1256 1.823,1257 1.205,1258 1.131,1259 1.539,1260 1.427,1261 0.59,1262 1.468,1263 1.12,1264 1.082,1265 1.29,1266 1.41,1267 0.248,1268 1.385,1269 1.02,1270 0.966,1271 1.21,1272 1.312,1273 0.139,1274 1.289,1275 0.891,1276 0.798,1277 1.13,1278 1.19,1279 0.098,1280 1.164,1281 0.787,1282 0.733,1283 1.069,1284 1.019,1286 1.033,1287 4.078,1289 5.46,1291 7.048,1293 8.744,1295 10.501,1297 1.837,1298 6.172,1301 11.752,1302 9.741,1309 1.751,1314 27.998,1315 70.906,1316 159.103,1317 182.612,1318 204.122,1319 204.122,1320 204.122,1321 49.488,1322 7.747,1323 120.05,1324 120.05,1325 24,1326 12.926,1327 4.322,1328 3.459,1329 37.444,1330 72,1331 86,1332 0.257,1333 174.882,1334 299.21,1335 418.472,1336 22097,1337 2.5,1338 18.585,1339 0.715,1340 0.556,1341 19.085,1342 14.45,1343 12.363,1344 0.426,1345 0.28,1346 7.665,1347 11.636,1348 7.445,1349 6.145,1350 12.652,1351 8.113,1352 12.037,1353 0.274,1354 0.145,1355 12.445,1356 6.399,1357 10.081,1358 0.163,1359 0.072,1360 10.343,1361 4.476,1362 9.296,1363 0.102,1364 0.036,1365 9.515,1366 3.294,1367 7.704,1368 0.06,1369 0.019,1370 7.966,1371 2.373,1372 0.375,1373 80.402,1374 0.231,1375 23.82,1376 0.805,1377 146,1378 445.648,1379 175.246,1380 469.276,1381 637.04,1382 434,1383 179,1384 461.079,1385 202.57,1386 477.745,1387 708.37,1388 450,1389 5.5}
{0 CHEMBL1995712,1 1.627,2 12.4,3 2.853,4 8.138,5 119.694,6 7.643,7 0.485,8 4.126,9 4.265,10 3.714,11 3.625,12 5.179,13 3.606,14 4.69,15 4.891,16 4.097,17 4.036,18 5.72,19 3.988,20 4.959,21 5.191,22 4.096,23 4.184,24 5.901,25 4.088,26 5.039,27 5.316,28 4.134,29 4.145,30 5.97,31 4.045,32 4.928,33 5.166,34 4.053,35 4.071,36 5.979,37 3.996,38 4.875,39 5.112,40 4.15,41 4.087,42 5.89,43 3.995,44 4.866,45 5.093,46 4.005,47 4.09,48 5.844,49 3.961,50 4.876,51 5.147,52 3.885,53 4.022,54 5.767,55 3.867,56 0.045,57 0.888,58 11.6,59 4.508,60 8.186,61 6.485,62 0.365,63 1.393,64 23.725,65 7.738,66 31.086,67 11.43,68 0.411,69 1.636,70 33.4,71 10.466,72 45.713,73 15.514,74 0.498,75 1.615,76 39.194,77 11.19,78 52.942,79 17.194,80 0.59,81 1.479,82 34.64,83 8.878,84 74.186,85 13.057,86 0.533,87 1.411,88 34.835,89 9.705,90 52.811,91 14.092,92 0.513,93 1.365,94 37.322,95 10.203,96 53.603,97 14.422,98 0.44,99 1.31,100 36.942,101 10.829,102 52.781,103 16.033,104 21,105 46,106 0.267,107 0.617,108 0.789,109 0.85,110 0.862,111 0.873,112 3.44,113 0.957,114 -3.61,115 -3.58,116 -3.41,119 37.5,121 4,124 2,125 1,127 2,142 3,143 2,145 1,146 1,147 1,150 1,151 1,158 1,161 1,172 5,174 1,175 6,178 4,180 6,183 7,187 1,188 3,191 1,193 3,196 3,200 9,203 1,204 1,205 7,208 2,212 1,213 8,218 1,221 2,225 5,228 4,229 1,230 2,233 7,237 1,238 3,241 2,243 1,246 6,249 2,255 5,258 6,263 2,264 2,269 2,272 4,276 1538,277 20.118,278 20.118,279 20.118,280 20.118,281 20.118,282 18.121,283 20.947,284 11.994,285 20.704,286 16.375,287 16.375,288 16.375,289 16.375,290 16.375,291 13.313,292 35.155,293 5.784,294 17.37,295 4.18,296 2.052,297 1.005,298 0.634,299 0.563,300 0.491,301 4.136,303 1,305 1,306 1,307 804,308 3.606,311 64.665,312 280.133,315 122.407,319 1.893,320 27.795,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 64.833,332 372,333 4.6,334 3.618,335 6.714,336 4.141,337 3.167,338 4.535,339 1.959,340 10.928,341 3.088,342 4.152,343 3.205,344 5.876,345 3.757,346 2.807,347 3.816,348 0.815,349 8.42,350 2.684,351 3.828,352 2.979,353 5.677,354 3.612,355 2.673,356 2.973,357 0.4,358 7.898,359 2.49,360 3.63,361 2.787,362 5.416,363 3.413,364 2.446,365 2.932,366 0.163,367 7.056,368 2.362,369 3.501,370 2.481,371 5.176,372 3.139,373 2.199,374 2.671,376 6.406,377 2.062,378 3.278,379 2.405,380 4.909,381 2.961,382 2.066,383 2.436,385 5.718,386 1.846,387 3.046,388 2.286,389 4.659,390 2.74,391 1.836,392 2.319,394 5.031,395 1.632,396 3.004,397 1.924,398 4.501,399 2.586,400 1.622,401 2.125,403 4.233,404 1.505,405 2.918,406 1.547,407 4.198,408 2.513,409 1.546,410 2.004,412 4.017,413 1.487,414 2.79,415 1.458,416 4.004,417 2.374,418 1.433,419 1.785,421 3.443,422 1.322,423 2.524,424 1.228,425 3.564,426 2.174,427 1.179,428 1.535,430 2.609,431 1.171,432 2.194,433 1.035,434 3.49,435 1.988,436 1.027,437 1.19,439 2.555,440 0.981,441 1.973,442 0.695,443 3.094,444 1.428,445 0.488,446 0.721,448 1.178,449 0.457,450 1.177,451 0.495,452 2.958,453 0.941,459 1,460 0.252,461 2.717,462 0.869,463 -0.084,464 -0.085,466 -0.23,467 -0.08,468 14.348,469 0.478,470 0.784,471 0.026,472 36.75,473 1.225,474 16,475 0.533,476 20.75,477 0.692,478 27.944,479 0.931,480 33.052,481 0.59,482 27.019,483 0.901,484 6.965,485 0.232,486 7.51,487 0.25,488 0.143,490 0.342,496 0.821,497 1.575,498 0.683,499 1.104,500 0.604,501 0.986,502 0.733,503 1.066,504 0.732,505 0.926,506 0.497,507 0.916,508 0.989,509 1.16,510 0.913,511 1.046,512 1.014,513 1.061,514 0.775,515 0.965,516 0.652,517 0.844,518 0.771,519 0.803,520 1.774,521 0.96,522 1.077,523 0.808,524 2.159,525 0.908,526 1.071,527 0.95,528 1.062,529 0.924,530 1.12,531 0.923,532 1.272,533 0.974,534 1.542,535 1.199,536 1.216,537 1.195,538 0.676,539 1.006,540 1.069,541 1.083,542 0.538,543 1.025,544 7,545 0.14,546 2.222,547 2.507,548 1.143,549 0.847,550 0.696,551 0.432,552 0.263,553 0.203,554 12318,555 32396,556 2.087,557 46.4,558 2,559 13,560 1,561 1,562 3,564 4,565 2,567 1.728,568 1.957,569 3.589,570 0.933,572 1,577 91.11,578 1.627,579 3.755,580 4.803,581 5.173,582 5.245,583 5.316,584 3.057,585 4.574,586 4.877,587 3.763,588 1637.09,589 8.504,590 23123.7,592 1,595 325.212,596 1.4,597 4.839,598 0.212,599 0.005,600 0.048,601 0.057,602 0.026,603 0.021,604 0.017,605 0.012,606 0.008,607 0.008,608 0.415,609 0.33,610 1,611 1.205,612 155.397,613 -0.073,614 -0.281,615 0.031,616 -0.07,617 -0.024,618 -0.006,619 0.137,620 0.104,621 0.064,622 0.045,623 0.164,624 0.041,625 -0.069,626 -0.113,627 -0.063,628 -0.072,629 -0.085,630 -0.088,631 0.129,632 -0.031,633 0.231,634 0.106,635 0.129,636 0.179,637 -0.356,638 0.054,639 -0.112,640 0.109,641 -0.36,642 0.004,643 0.055,644 0.057,645 0.065,646 0.073,647 -0.008,648 0.05,649 -0.147,650 0.029,651 -0.249,652 -0.147,653 -0.165,654 -0.199,655 0.151,656 -0.107,657 0.049,658 -0.042,659 0.169,660 0.011,661 1.611,662 5.091,663 0.7,664 30.502,665 1.004,666 1.139,667 2.381,668 5.672,669 0.66,670 3.526,671 3.85,672 4.078,673 4.394,674 4.564,675 4.673,676 4.787,677 4.963,678 4.963,679 5.106,680 7.261,681 0.624,682 427.99,683 3.526,684 5.069,685 5.905,686 6.788,687 7.642,688 8.531,689 9.393,690 10.286,691 11.155,692 12.049,693 12.5,696 1,698 1,700 1,701 1,703 3,708 2,709 5,710 3,711 1,714 4,716 16,728 1,734 1,735 56,737 17,739 33,741 59,742 21,743 11,748 4,749 5,750 1,757 6,760 6,762 12,763 9,767 1,772 1,776 1,780 1,783 26,784 7,785 3,786 9,787 1,792 7,797 0.75,798 1,809 1,810 1,811 1,815 1,816 3,819 1,829 1,839 1,843 3,847 2,848 1,851 30,858 5,860 2,863 2,864 1,873 1,874 1.8,877 1,881 15.333,882 10.443,883 6.5,884 3.366,886 3.259,887 1.415,888 0.981,889 6.518,890 11.11,891 3.761,892 4.341,893 4.889,894 5.523,895 6.019,896 6.377,897 6.815,898 7.275,899 7.478,900 7.865,901 1,902 44,903 11.098,905 4.704,906 7.681,907 21.394,909 17.694,911 2.181,912 65.444,915 1,916 270.735,917 95.466,918 106.288,919 39.149,920 25.145,923 95.466,924 335.029,925 106.288,926 16.793,927 30.255,928 37.476,929 111.703,930 37.473,931 55.891,932 247.193,934 270.735,935 201.754,936 25.145,937 39.149,939 200.109,940 95.772,943 65.583,944 67.804,945 68.367,946 39.149,947 270.735,948 131.433,949 134.615,952 270.735,953 32.15,954 66.441,955 52.807,956 114.65,957 270.735,958 131.433,959 134.615,961 0.579,962 0.317,963 0.184,964 0.094,965 22,966 10,967 0.102,968 6,969 1,970 1.095,971 4.174,972 264.772,973 0.095,974 21,975 145.207,981 21.041,982 9.294,983 5.298,984 1.792,985 114.647,986 9.289,987 13.394,988 3.166,991 2.555,993 52.807,994 536.783,995 42,1000 12.091,1004 0.055,1007 56.2,1008 63.794,1009 0.28,1010 0.647,1011 0.827,1012 0.891,1013 0.903,1014 0.915,1015 5.004,1016 1.622,1017 5.889,1018 5.031,1019 4.533,1020 5.027,1021 2.183,1022 6.676,1023 4.425,1024 6.194,1025 1.546,1026 7.425,1027 4.233,1028 4.111,1029 4.832,1030 1.668,1031 7.486,1032 3.941,1033 7.488,1034 1.433,1035 9.055,1036 4.017,1037 6.098,1038 7.198,1039 3.06,1040 10.593,1041 5.906,1042 8.814,1043 1.179,1044 10.741,1045 3.443,1046 6.447,1047 7.854,1048 3.135,1049 12.259,1050 6.217,1051 10.173,1052 1.027,1053 12.466,1054 2.609,1055 7.931,1056 9.726,1057 4.223,1058 14.885,1059 7.675,1060 11.557,1061 0.488,1062 14.219,1063 2.555,1064 8.665,1065 10.818,1066 4.573,1067 16.949,1068 8.385,1069 12.963,1071 15.996,1072 1.178,1073 9.931,1074 12.476,1075 5.481,1076 19.408,1077 9.625,1078 3.167,1079 -0.084,1080 17.79,1082 10.863,1083 13.786,1084 5.975,1085 21.654,1086 10.537,1087 2.807,1088 10.928,1089 19.601,1090 -0.23,1091 12.038,1092 15.351,1093 6.781,1094 24.058,1095 11.687,1096 2.673,1097 8.42,1098 21.425,1099 4.535,1100 13.069,1101 16.764,1102 7.353,1103 26.383,1104 12.7,1105 2.446,1106 7.898,1107 23.26,1108 3.816,1109 14.209,1110 18.29,1111 8.101,1112 28.773,1113 13.818,1114 2.199,1115 7.056,1116 25.106,1117 2.973,1118 15.29,1119 19.752,1120 8.717,1121 31.133,1122 14.88,1123 2.066,1124 6.406,1125 26.96,1126 2.932,1127 16.42,1128 21.264,1129 9.432,1130 33.52,1131 15.989,1132 1.836,1133 5.718,1134 28.821,1135 2.671,1136 17.528,1137 22.749,1138 10.073,1139 35.896,1140 17.078,1141 11784,1142 19306,1143 22.076,1144 36.966,1145 49.786,1146 50.027,1147 50.415,1148 49.149,1149 48.98,1150 62.082,1151 6.674,1152 138.986,1153 46.176,1154 5.6,1155 5.618,1156 6.396,1157 5.216,1158 5.167,1159 7.535,1160 3.43,1161 18.11,1162 5.088,1163 14.855,1164 1.509,1165 1.516,1166 1.528,1167 1.489,1168 1.484,1169 1.881,1170 0.202,1171 4.212,1172 1.399,1173 4.126,1174 4.166,1175 4.114,1176 4.015,1177 7.429,1178 4.029,1179 3.919,1180 3.978,1181 3.919,1182 3.776,1183 5.139,1184 3.775,1185 3.764,1186 3.815,1187 3.775,1188 3.609,1189 5.006,1190 3.626,1191 3.667,1192 3.739,1193 3.558,1194 3.441,1195 4.515,1196 3.46,1197 3.374,1198 3.442,1199 3.353,1200 3.219,1201 4.373,1202 3.224,1203 3.334,1204 3.408,1205 3.25,1206 3.088,1207 4.312,1208 3.099,1209 3.187,1210 3.271,1211 3.158,1212 2.998,1213 4.25,1214 2.988,1215 3.037,1216 3.115,1217 2.972,1218 2.838,1219 3.969,1220 2.826,1221 0.139,1222 0.11,1223 0.203,1224 0.125,1225 0.096,1226 4.6,1227 0.137,1228 3.618,1229 0.059,1230 6.714,1231 0.331,1232 4.141,1233 0.094,1234 3.167,1235 4.535,1236 1.959,1237 10.928,1238 3.088,1239 1.912,1240 1.88,1241 2.085,1242 2.064,1243 1.477,1244 2.071,1245 1.873,1246 1.823,1247 1.967,1248 2.004,1249 1.082,1250 1.996,1251 1.722,1252 1.678,1253 1.853,1254 1.915,1255 0.996,1256 1.891,1257 1.607,1258 1.534,1259 1.79,1260 1.862,1261 0.846,1262 1.861,1263 1.388,1264 1.323,1265 1.557,1266 1.628,1267 0.815,1268 1.613,1269 1.276,1270 1.197,1271 1.537,1272 1.554,1273 0.782,1274 1.552,1275 1.182,1276 1.1,1277 1.462,1278 1.409,1279 0.55,1280 1.438,1281 1.039,1282 0.965,1283 1.417,1284 1.284,1285 0.496,1286 1.319,1287 4.205,1289 5.525,1290 2.398,1291 7.024,1292 4.727,1293 8.609,1294 6.843,1295 10.243,1297 3.783,1298 6.303,1303 4.256,1305 6.555,1308 0.335,1309 1.87,1314 34.96,1315 91.11,1316 210.279,1317 268.947,1318 289.702,1319 293.702,1320 297.702,1321 51.515,1322 7.851,1323 98.83,1324 98.83,1325 23,1326 12.58,1327 4.17,1328 3.322,1329 47.126,1330 130,1331 134,1332 0.174,1333 219.106,1334 369.6,1335 526.379,1336 30298,1337 1.8,1338 21.087,1339 0.703,1340 0.597,1341 21.587,1342 17.908,1343 14.474,1344 0.439,1345 0.319,1346 10.029,1347 13.608,1348 9.734,1349 8.097,1350 14.763,1351 10.532,1352 13.493,1353 0.293,1354 0.183,1355 13.901,1356 8.399,1357 10.239,1358 0.177,1359 0.094,1360 10.474,1361 5.448,1362 9.481,1363 0.119,1364 0.052,1365 9.799,1366 4.167,1367 6.97,1368 0.073,1369 0.029,1370 7.202,1371 2.735,1372 0.277,1373 93.922,1374 0.213,1375 28.517,1376 0.469,1377 158,1378 441.518,1379 189.678,1380 460.804,1381 621.3,1382 430,1383 183,1384 436.922,1385 208.158,1386 454.283,1387 662.03,1388 425,1389 5.8}
{0 CHEMBL1995736,1 1.532,2 11.423,3 2.718,4 7.386,5 100.802,6 7.301,7 0.552,8 3.978,9 4.104,10 3.533,11 3.506,12 5.056,13 3.491,14 4.523,15 4.696,16 3.906,17 3.906,18 5.588,19 3.87,20 4.762,21 4.986,22 3.913,23 4.004,24 5.761,25 3.936,26 4.76,27 4.988,28 3.877,29 3.961,30 5.849,31 3.894,32 4.67,33 4.885,34 3.747,35 3.905,36 5.731,37 3.815,38 4.582,39 4.817,40 3.574,41 3.828,42 5.529,43 3.709,44 4.501,45 4.743,46 3.494,47 3.699,48 5.463,49 3.59,50 4.418,51 4.668,52 3.35,53 3.515,54 5.391,55 3.423,56 0.029,57 0.726,58 10.151,59 4.203,60 8.906,61 5.649,62 0.246,63 1.172,64 19.2,65 7.086,66 26.592,67 9.812,68 0.256,69 1.395,70 26.007,71 8.787,72 32.387,73 12.607,74 0.379,75 1.337,76 26.539,77 8.621,78 51.503,79 12.323,80 0.316,81 1.203,82 23.841,83 8.654,84 43.631,85 11.992,86 0.231,87 1.121,88 21.875,89 8.346,90 31.72,91 11.719,92 0.134,93 1.04,94 20.107,95 7.099,96 26.31,97 10.368,98 0.239,99 0.912,100 19.358,101 5.868,102 33.537,103 8.548,104 13,105 41,106 0.259,107 0.624,108 0.786,109 0.856,110 0.865,111 0.865,112 3.304,113 0.923,114 -3.87,115 -3.82,116 -3.63,119 41.7,120 1,121 1,125 3,127 1,142 7,143 2,144 1,146 1,152 1,158 1,161 1,163 1,164 1,165 1,172 7,174 1,175 8,178 1,180 3,183 6,185 1,188 8,190 1,191 1,193 4,196 3,199 2,200 7,205 3,208 5,213 2,216 2,218 2,221 9,223 2,224 1,225 3,228 1,230 2,233 10,235 2,238 4,243 2,246 5,248 1,250 7,255 1,258 1,264 2,266 1,267 1,268 1,271 1,272 2,276 992,277 17.817,278 17.817,279 17.817,280 17.817,281 17.817,282 15.96,283 15.139,284 10.491,285 18.236,286 14.29,287 14.29,288 14.29,289 14.29,290 14.29,291 11.356,292 20.332,293 4.899,294 14.887,295 4.053,296 1.897,297 0.941,298 0.531,299 0.474,300 0.474,301 4.001,304 1,305 1,306 1,307 647,308 3,311 128.054,312 151.23,315 107.705,319 1.808,320 23.476,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 56,332 297,333 4.626,334 3.687,335 6.711,336 4.158,337 3.188,338 4.568,339 1.674,340 10.913,341 3.092,342 4.205,343 3.166,344 6.206,345 3.885,346 2.929,347 3.787,348 0.8,349 9.267,350 2.809,351 3.974,352 3.04,353 6.091,354 3.688,355 2.72,356 3.347,358 8.878,359 2.618,360 3.71,361 2.603,362 5.607,363 3.336,364 2.36,365 3.039,367 7.22,368 2.292,369 3.362,370 2.311,371 5.062,372 3.152,373 2.178,374 2.48,376 6.102,377 2.116,378 3.03,379 1.865,380 4.525,381 2.558,382 1.6,383 2.255,385 4.309,386 1.532,387 2.976,388 1.77,389 4.401,390 2.502,391 1.56,392 2.098,394 4.236,395 1.453,396 2.707,397 1.634,398 4.055,399 2.317,400 1.352,401 1.783,403 3.406,404 1.301,405 2.5,406 1.438,407 3.914,408 2.001,409 1.042,410 1.5,412 2.929,413 1,414 2.336,415 1.101,416 3.414,417 2,418 1,419 1.308,421 2.275,422 0.997,423 2.131,424 1,425 3.287,426 1.888,427 0.934,428 1.065,430 1.728,431 0.877,432 1.907,433 0.793,434 3.268,435 1.656,436 0.682,437 0.694,439 1.666,440 0.663,441 1.703,442 0.586,443 2.847,444 1.368,445 0.41,446 0.594,448 0.952,449 0.39,450 1.01,451 0.244,452 2.63,453 0.618,454 -0.354,455 -0.442,457 -0.807,458 -0.342,459 0.846,460 -0.245,461 2.329,462 0.431,463 -0.523,464 -0.6,466 -0.949,467 -0.496,468 12.267,469 0.472,470 0.606,471 0.023,472 33.25,473 1.279,474 16,475 0.615,476 17.25,477 0.663,478 20.464,479 0.787,480 27.933,481 0.582,482 24.092,483 0.927,484 6.484,485 0.249,486 6.168,487 0.237,488 0.101,490 0.359,496 0.864,497 1.295,498 0.808,499 1.061,500 0.743,501 0.938,502 0.861,503 1.172,504 0.864,505 0.997,506 0.573,507 0.937,508 1.019,509 1.072,510 0.946,511 0.971,512 0.781,513 0.943,514 1.139,515 0.942,516 0.964,517 0.891,518 1.206,519 0.893,520 1.039,521 1.005,522 1.028,523 1.052,524 1.293,525 1.048,526 0.765,527 0.944,528 0.995,529 1.043,530 0.868,531 1.06,532 0.767,533 1.172,534 0.998,535 1.15,536 0.683,537 1.106,538 1.35,539 1.014,540 1.1,541 0.958,542 1.167,543 0.976,544 5,545 0.134,546 3.333,547 1.729,548 1.251,549 1.025,550 0.5,551 0.29,552 0.229,553 0.137,554 8379,555 20143,556 2.124,557 45.8,559 14,562 3,564 3,565 2,567 1.688,568 2,569 3.467,570 0.936,571 1,572 1,577 73.532,578 1.532,579 3.688,580 4.644,581 5.054,582 5.111,583 5.111,584 2.95,585 4.335,586 4.668,587 3.608,588 1172.67,589 8.076,590 14609.4,592 1,594 1,595 268.078,596 1.37,597 4.637,598 0.172,599 0.008,600 0.081,601 0.043,602 0.033,603 0.031,604 0.018,605 0.012,606 0.011,607 0.007,608 0.416,609 0.33,610 1,611 1.083,612 127.749,613 -0.068,614 -0.092,615 0.049,616 -0.007,617 -0.096,618 0.035,619 0.103,620 -0.057,621 0.057,622 0.011,623 0.111,624 0.025,625 -0.071,626 -0.031,627 0.017,628 -0.001,629 0.012,630 0.019,631 -0.02,632 0.075,633 0.026,634 0.067,635 0.014,636 0.06,637 0.013,638 -0.021,639 -0.062,640 -0.047,641 -0.048,642 -0.065,643 0.003,644 0.031,645 -0.05,646 -0.025,647 -0.063,648 -0.048,649 -0.023,650 -0.174,651 -0.047,652 -0.165,653 0.005,654 -0.114,655 -0.184,656 -0.033,657 -0.084,658 -0.028,659 -0.098,660 -0.034,661 2.017,662 5.131,663 0.769,664 25.331,665 1,666 1.128,667 2.635,668 6.944,669 0.662,670 3.401,671 3.738,672 4.043,673 4.331,674 4.522,675 4.654,676 4.804,677 4.92,678 5.05,679 5.147,680 6.508,681 0.63,682 350.46,683 3.401,684 4.949,685 5.814,686 6.703,687 7.587,688 8.482,689 9.374,690 10.272,691 11.167,692 12.066,693 8.3,694 1,699 1,701 1,703 1,708 2,709 7,710 1,711 1,714 4,716 16,726 1,730 1,735 48,737 17,738 2,739 29,741 51,742 20,743 13,744 5,745 7,746 1,748 4,749 5,754 1,757 2,760 2,762 14,763 6,767 1,772 1,776 1,779 1,780 1,783 22,784 5,785 3,786 6,789 1,792 4,797 0.75,798 2,812 1,815 2,816 2,819 1,836 1,843 3,847 1,851 26,852 1,858 4,861 1,863 1,864 1,874 4.2,877 1,879 1,881 13,882 8.733,883 5.722,884 3.031,886 3.305,887 1.432,888 1.009,889 4.661,890 10.951,891 3.664,892 4.273,893 4.912,894 5.547,895 6.103,896 6.521,897 7.011,898 7.442,899 7.802,900 8.202,901 0.875,902 40,903 9.624,905 4.133,906 7.692,907 18.54,909 15.497,911 2.192,912 57,915 1,916 223.651,917 109.433,918 69.593,920 36.145,923 109.433,924 259.796,925 69.593,926 8.825,927 44.236,928 66.334,929 51.45,930 42.182,931 2.144,932 223.651,934 223.651,935 179.025,936 36.145,939 164.795,940 95,943 74.318,944 87.921,945 16.786,947 223.651,948 105.737,949 109.433,952 223.651,953 34.274,954 78.283,955 16.786,956 85.828,957 223.651,958 105.737,959 109.433,961 0.58,962 0.345,963 0.192,964 0.101,965 21,966 9,967 0.098,968 5,969 1,970 1.1,971 3.844,972 222.4,973 0.1,974 20,975 118.211,981 17.07,982 7.099,983 3.358,984 1.454,985 88.952,986 13.747,987 4.635,988 3.293,991 3.365,993 49.683,994 438.821,995 38,1000 12.131,1004 -0.35,1007 48.014,1008 54.149,1009 0.274,1010 0.66,1011 0.832,1012 0.905,1013 0.915,1014 0.915,1015 4.905,1016 1.352,1017 5.802,1018 4.236,1019 4.419,1020 4.959,1021 2.024,1022 6.632,1023 4.345,1024 6.109,1025 1.042,1026 7.371,1027 3.406,1028 4.007,1029 4.783,1030 0.325,1031 7.554,1032 3.904,1033 7.42,1034 1,1035 9.039,1036 2.929,1037 6.028,1038 7.19,1039 2.844,1040 10.666,1041 5.887,1042 8.771,1043 0.934,1044 10.766,1045 2.275,1046 6.463,1047 7.896,1048 0.268,1049 12.426,1050 6.286,1051 10.156,1052 0.682,1053 12.531,1054 1.728,1055 7.933,1056 9.766,1057 3.814,1058 15.038,1059 7.726,1060 11.567,1061 0.41,1062 14.321,1063 1.666,1064 8.744,1065 10.885,1066 0.188,1067 17.136,1068 8.498,1069 12.997,1070 -0.354,1071 16.13,1072 0.952,1073 10,1074 12.538,1075 4.826,1076 19.581,1077 9.726,1078 3.188,1079 -0.523,1080 17.952,1081 -0.807,1082 10.983,1083 13.86,1084 0.125,1085 21.825,1086 10.671,1087 2.929,1088 10.913,1089 19.784,1090 -0.949,1091 12.156,1092 15.424,1093 5.851,1094 24.214,1095 11.816,1096 2.72,1097 9.267,1098 21.625,1099 4.568,1100 13.218,1101 16.845,1102 0.082,1103 26.524,1104 12.843,1105 2.36,1106 8.878,1107 23.472,1108 3.787,1109 14.361,1110 18.374,1111 6.88,1112 28.897,1113 13.957,1114 2.178,1115 7.22,1116 25.325,1117 3.347,1118 15.461,1119 19.842,1120 0.054,1121 31.24,1122 15.024,1123 1.6,1124 6.102,1125 27.183,1126 3.039,1127 16.596,1128 21.359,1129 7.91,1130 33.612,1131 16.129,1132 1.56,1133 4.309,1134 29.045,1135 2.48,1136 17.715,1137 22.851,1138 0.035,1139 35.973,1140 17.217,1141 7968,1142 12500,1143 19.592,1144 31.784,1145 44.263,1146 44.951,1147 45.261,1148 43.915,1149 43.912,1150 57.033,1151 4.949,1152 127.761,1153 42.278,1154 5.517,1155 5.687,1156 6.48,1157 5.202,1158 5.188,1159 7.568,1160 3.349,1161 18.055,1162 5.092,1163 11.719,1164 1.526,1165 1.55,1166 1.561,1167 1.514,1168 1.514,1169 1.967,1170 0.171,1171 4.406,1172 1.458,1173 4.138,1174 4.175,1175 4.109,1176 4.027,1177 7.433,1178 4.042,1179 3.933,1180 3.982,1181 3.864,1182 3.833,1183 5.067,1184 3.835,1185 3.734,1186 3.781,1187 3.632,1188 3.609,1189 5.004,1190 3.606,1191 3.553,1192 3.597,1193 3.452,1194 3.314,1195 4.688,1196 3.332,1197 3.351,1198 3.414,1199 3.233,1200 3.186,1201 4.463,1202 3.192,1203 3.149,1204 3.177,1205 3.028,1206 2.966,1207 4.285,1208 2.98,1209 3.009,1210 3.131,1211 2.833,1212 2.746,1213 4.061,1214 2.752,1215 2.856,1216 2.95,1217 2.687,1218 2.735,1219 3.797,1220 2.715,1221 0.16,1222 0.127,1223 0.231,1224 0.143,1225 0.11,1226 4.626,1227 0.158,1228 3.687,1229 0.058,1230 6.711,1231 0.376,1232 4.158,1233 0.107,1234 3.188,1235 4.568,1236 1.674,1237 10.913,1238 3.092,1239 1.93,1240 1.908,1241 2.02,1242 2.033,1243 1.179,1244 2.029,1245 1.914,1246 1.888,1247 1.998,1248 2.007,1249 1.154,1250 2.006,1251 1.598,1252 1.528,1253 1.848,1254 1.803,1255 1.123,1256 1.823,1257 1.49,1258 1.431,1259 1.8,1260 1.749,1261 0.936,1262 1.76,1263 1.438,1264 1.366,1265 1.645,1266 1.674,1267 0.901,1268 1.669,1269 1.251,1270 1.183,1271 1.413,1272 1.494,1273 0.459,1274 1.485,1275 0.979,1276 0.949,1277 1.181,1278 1.255,1279 0.218,1280 1.216,1281 0.939,1282 0.891,1283 1.162,1284 1.13,1285 0.202,1286 1.128,1287 4.078,1289 5.407,1290 3.045,1291 6.927,1292 5.352,1293 8.533,1294 7.413,1295 10.187,1297 1.794,1301 5.992,1303 3.261,1306 5.124,1308 0.256,1309 2.298,1314 30.256,1315 73.532,1316 177.001,1317 222.917,1318 242.568,1319 245.323,1320 245.323,1321 39.074,1322 7.647,1323 84.24,1324 84.24,1325 22,1326 12.589,1327 4.17,1328 3.322,1329 38.195,1330 101,1331 102,1332 0.187,1333 184.794,1334 312.88,1335 442.658,1336 21652,1338 18.096,1339 0.696,1340 0.567,1341 18.096,1342 14.736,1343 12.652,1344 0.436,1345 0.308,1346 8.804,1347 12.184,1348 8.619,1349 7.121,1350 12.652,1351 8.923,1352 11.369,1353 0.277,1354 0.16,1355 11.369,1356 6.549,1357 9.808,1358 0.175,1359 0.085,1360 9.808,1361 4.739,1362 8.416,1363 0.112,1364 0.045,1365 8.416,1366 3.394,1367 6.434,1368 0.071,1369 0.023,1370 6.434,1371 2.125,1372 0.294,1373 79.079,1374 0.226,1375 25.201,1376 0.507,1377 140,1378 382.406,1379 153.472,1380 369.784,1381 515.2,1382 348,1383 167,1384 388.612,1385 180.698,1386 391.895,1387 580.93,1388 371,1389 5.1}
{0 CHEMBL1995740,1 1.673,2 10.714,3 3.464,4 11.998,5 102.359,6 8.776,7 0.581,8 3.911,9 3.998,10 3.6,11 3.457,12 5.217,13 3.481,14 4.371,15 4.473,16 3.979,17 3.85,18 5.767,19 3.865,20 4.647,21 4.774,22 4.15,23 4.042,24 5.976,25 4.048,26 4.768,27 4.93,28 4.051,29 4.025,30 6.075,31 4.004,32 4.731,33 4.927,34 3.905,35 3.946,36 5.954,37 3.898,38 4.543,39 4.73,40 3.802,41 3.774,42 5.798,43 3.741,44 4.449,45 4.605,46 3.768,47 3.665,48 5.968,49 3.656,50 4.329,51 4.518,52 3.567,53 3.509,54 5.607,55 3.488,56 0.227,57 0.618,58 6.25,59 3.57,60 13.022,61 3.662,62 0.404,63 0.947,64 11.197,65 6.026,66 53.259,67 6.388,68 0.512,69 1.264,70 15.578,71 7.702,72 43.359,73 8.274,74 0.691,75 1.351,76 20.951,77 8.858,78 72.982,79 9.626,80 0.747,81 1.261,82 23.486,83 9.131,84 94.013,85 10.838,86 0.58,87 1.048,88 18.68,89 7.502,90 58.968,91 9.068,92 0.646,93 0.917,94 16.21,95 6.725,96 106.369,97 7.557,98 0.449,99 0.839,100 15.23,101 5.869,102 46.806,103 6.953,104 30,105 45,106 0.286,107 0.599,108 0.736,109 0.873,110 0.899,111 0.899,112 3.375,113 0.807,114 -3.75,115 -3.71,116 -3.53,119 46.5,124 1,142 9,143 3,144 6,158 1,166 2,172 9,174 1,175 4,178 1,180 6,183 11,188 8,191 1,192 1,193 8,196 10,200 7,203 2,205 6,208 8,213 4,216 3,218 4,221 9,224 1,225 4,228 2,230 4,233 7,237 2,238 7,241 1,243 3,246 5,250 7,254 1,255 2,258 5,263 1,264 6,267 1,272 2,276 1148,277 18.765,278 18.765,279 18.765,280 18.765,281 18.765,282 16.207,283 24.991,284 10.672,285 19.108,286 15.204,287 15.204,288 15.204,289 15.204,290 15.204,291 11.212,292 38.643,293 4.958,294 15.668,295 3.754,296 1.92,297 1.117,298 0.314,299 0.157,300 0.157,301 4.071,304 1,305 1,306 1,307 646,308 3,312 197.122,313 60.77,317 205.769,319 1.786,320 39.696,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 62.5,332 300,333 4.49,334 3.783,335 6.545,336 4.125,337 3.142,338 4.169,339 2.612,340 10.354,341 3.09,342 4.342,343 3.62,344 6.241,345 3.927,346 2.951,347 4.046,348 1.058,349 9.394,350 2.881,351 4.226,352 3.153,353 6.15,354 3.788,355 2.811,356 3.85,357 0.86,358 9.018,359 2.746,360 3.945,361 2.94,362 5.89,363 3.513,364 2.547,365 3.463,366 0.4,367 8.099,368 2.445,369 3.821,370 2.805,371 5.789,372 3.401,373 2.425,374 3.231,376 7.726,377 2.355,378 3.39,379 2.454,380 5.17,381 3.046,382 2.074,383 2.593,385 6.186,386 2.005,387 2.966,388 1.983,389 4.394,390 2.479,391 1.536,392 2.126,394 4.156,395 1.457,396 2.908,397 1.908,398 4.215,399 2.441,400 1.464,401 2.049,403 3.83,404 1.41,405 2.87,406 1.689,407 4.174,408 2.352,409 1.364,410 2.005,412 3.613,413 1.346,414 2.766,415 1.438,416 3.919,417 2.211,418 1.217,419 1.865,421 3.022,422 1.209,423 2.588,424 1.344,425 3.762,426 2.079,427 1.066,428 1.568,430 2.767,431 1.073,432 1.725,433 1,434 3.027,435 1.414,436 0.53,437 0.614,439 0.899,440 0.464,441 1.588,442 0.941,443 2.944,444 1.207,445 0.229,446 0.295,448 0.594,449 0.222,450 1.264,451 0.651,452 2.863,453 0.953,459 1.084,460 0.324,461 2.669,462 0.747,463 -0.186,464 -0.224,466 -0.418,467 -0.172,468 12.867,469 0.46,470 0.801,471 0.029,472 42.75,473 1.527,474 24.5,475 0.875,476 18.25,477 0.652,478 17.904,479 0.639,480 29.133,481 0.678,482 34.422,483 1.229,484 8.663,485 0.309,486 4.794,487 0.171,488 0.142,490 0.42,496 0.653,497 0.984,498 0.66,499 0.836,500 0.619,501 0.765,502 0.693,503 1.106,504 0.703,505 0.951,506 0.476,507 0.863,508 0.773,509 1.194,510 0.879,511 1.091,512 0.642,513 1.027,514 1.011,515 1.067,516 1.127,517 1.101,518 0.978,519 1.133,520 0.88,521 0.847,522 1.021,523 0.927,524 0.948,525 1,526 0.767,527 0.965,528 0.907,529 1.002,530 0.778,531 1.003,532 0.904,533 1.052,534 0.958,535 1.081,536 0.944,537 1.056,538 0.925,539 1.061,540 0.954,541 1.061,542 0.854,543 1.024,544 6.5,545 0.164,546 4,547 1.938,548 2.185,549 1.083,550 0.773,551 0.499,552 0.281,553 0.283,554 9287,555 32824,556 2.072,557 34.9,559 12,562 3,567 1.711,568 1.909,569 3.397,570 0.953,572 1,577 71.923,578 1.673,579 3.506,580 4.309,581 5.112,582 5.269,583 5.269,584 2.91,585 4.495,586 4.776,587 3.551,588 1342.12,589 8.312,590 17106.3,592 1,594 1,595 233.329,596 1.497,597 4.723,598 0.21,599 0.009,600 0.089,601 0.037,602 0.049,603 0.028,604 0.022,605 0.015,606 0.01,607 0.012,608 0.481,609 0.5,610 1,611 0.887,612 139.134,613 0.034,614 0.13,615 0.015,616 0.121,617 -0.074,618 0.073,619 0.055,620 -0.064,621 0.049,622 0.033,623 0.134,624 0.033,625 -0.022,626 -0.135,627 -0.077,628 -0.131,629 0.011,630 -0.122,631 -0.136,632 -0.061,633 -0.199,634 -0.133,635 -0.11,636 -0.172,637 -0.035,638 0.105,640 0.075,641 -0.081,642 0.052,643 0.057,644 -0.006,645 0.093,646 -0.002,647 0.011,648 0.037,649 0.101,650 -0.118,651 0.028,652 -0.082,653 0.151,654 -0.06,655 -0.041,656 -0.1,657 0.068,658 -0.075,659 -0.007,660 0.008,661 2.513,662 5.568,663 0.75,664 26.143,665 1.029,666 1.117,667 2.518,668 6.341,669 0.694,670 3.466,671 3.829,672 4.127,673 4.382,674 4.682,675 4.868,676 5.024,677 5.153,678 5.366,679 5.533,680 6.309,681 0.693,682 377.38,683 3.466,684 5.03,685 5.9,686 6.792,687 7.678,688 8.574,689 9.465,690 10.363,691 11.257,692 12.155,693 7,700 1,701 1,704 1,709 9,714 9,716 18,723 1,728 1,729 1,732 1,733 1,735 43,737 21,738 3,739 31,741 46,742 20,743 18,744 9,745 9,746 1,748 4,749 7,762 19,763 1,767 3,769 1,772 3,776 1,779 1,780 1,783 15,784 7,785 3,786 8,792 3,797 0.5,798 5,816 3,817 1,821 2,843 2,847 1,851 28,857 1,860 2,861 1,874 11.6,876 1,877 1,879 1,880 2,881 14.667,882 8.067,883 6.083,884 2.313,886 3.68,887 1.461,888 0.988,889 4.568,890 11.665,891 3.784,892 4.437,893 5.022,894 5.59,895 6.191,896 6.551,897 6.993,898 7.365,899 7.857,900 8.3,901 1,902 52,903 10.327,905 4.567,906 8.149,907 18.866,909 15.516,911 2.649,912 74.167,915 1,916 141.253,917 126.701,918 41.692,920 129.575,923 126.701,924 270.828,925 41.692,926 16.553,927 18.011,928 85.286,929 72.533,930 54.838,932 141.253,933 50.747,934 141.253,935 168.393,936 129.575,939 141.253,940 78.828,941 50.747,943 36.022,944 126.701,945 5.67,947 141.253,948 171.267,949 126.701,952 141.253,953 30.532,954 101.839,955 36.022,956 129.575,957 141.253,958 171.267,959 126.701,961 0.594,962 0.356,963 0.183,964 0.103,965 23,966 11,967 0.065,968 3,969 2,970 1.19,971 3.827,972 254.68,973 0.19,974 21,975 132.606,981 18.132,982 7.054,983 3.376,985 165.597,986 14.482,991 3.744,993 78.705,994 439.221,995 43,997 -0.513,1000 34.558,1004 -0.364,1007 44.244,1008 48.033,1009 0.308,1010 0.646,1011 0.794,1012 0.942,1013 0.971,1014 0.971,1015 5.034,1016 1.464,1017 5.911,1018 4.156,1019 4.511,1020 5.124,1021 2.787,1022 6.751,1023 4.458,1024 6.274,1025 1.364,1026 7.496,1027 3.83,1028 4.205,1029 5.066,1030 2.361,1031 7.689,1032 4.128,1033 7.607,1034 1.217,1035 9.175,1036 3.613,1037 6.146,1038 7.369,1039 4.21,1040 10.766,1041 6.047,1042 8.972,1043 1.066,1044 10.907,1045 3.022,1046 6.608,1047 8.065,1048 4.506,1049 12.462,1050 6.484,1051 10.362,1052 0.53,1053 12.669,1054 2.767,1055 8.046,1056 9.873,1057 5.957,1058 15.049,1059 7.906,1060 11.771,1061 0.229,1062 14.451,1063 0.899,1064 8.85,1065 10.91,1066 6.556,1067 17.066,1068 8.686,1069 13.192,1071 16.248,1072 0.594,1073 10.088,1074 12.511,1075 7.796,1076 19.472,1077 9.911,1078 3.142,1079 -0.186,1080 18.054,1082 11.052,1083 13.716,1084 8.548,1085 21.636,1086 10.853,1087 2.951,1088 10.354,1089 19.868,1090 -0.418,1091 12.209,1092 15.219,1093 9.67,1094 23.973,1095 11.996,1096 2.811,1097 9.394,1098 21.687,1099 4.169,1100 13.249,1101 16.513,1102 10.509,1103 26.208,1104 13.017,1105 2.547,1106 9.018,1107 23.511,1108 4.046,1109 14.375,1110 17.967,1111 11.563,1112 28.521,1113 14.128,1114 2.425,1115 8.099,1116 25.34,1117 3.85,1118 15.453,1119 19.31,1120 12.452,1121 30.792,1122 15.188,1123 2.074,1124 7.726,1125 27.171,1126 3.463,1127 16.569,1128 20.739,1129 13.468,1130 33.099,1131 16.289,1132 1.536,1133 6.186,1134 29.005,1135 3.231,1136 17.667,1137 22.11,1138 14.386,1139 35.391,1140 17.37,1141 8943,1142 16953,1143 20.403,1144 29.858,1145 47.186,1146 49.501,1147 48.955,1148 46.717,1149 46.712,1150 63.753,1151 9.862,1152 139.313,1153 45.408,1154 5.324,1155 5.783,1156 6.067,1157 5.147,1158 5.142,1159 7.169,1160 4.612,1161 17.214,1162 5.09,1163 15.584,1164 1.522,1165 1.597,1166 1.579,1167 1.507,1168 1.507,1169 2.057,1170 0.318,1171 4.494,1172 1.465,1173 4.08,1174 4.105,1175 4.045,1176 3.995,1177 7.815,1178 4.001,1179 3.947,1180 3.967,1181 3.912,1182 3.845,1183 7.429,1184 3.855,1185 3.79,1186 3.807,1187 3.753,1188 3.683,1189 6.999,1190 3.691,1191 3.5,1192 3.526,1193 3.474,1194 3.153,1195 6.47,1196 3.216,1197 3.298,1198 3.333,1199 3.246,1200 3.021,1201 4.85,1202 3.083,1203 3.224,1204 3.285,1205 3.053,1206 2.953,1207 4.734,1208 2.964,1209 2.994,1210 3.053,1211 2.906,1212 2.788,1213 4.579,1214 2.807,1215 2.914,1216 2.962,1217 2.796,1218 2.745,1219 4.293,1220 2.753,1221 0.145,1222 0.122,1223 0.211,1224 0.133,1225 0.101,1226 4.49,1227 0.134,1228 3.783,1229 0.084,1230 6.545,1231 0.334,1232 4.125,1233 0.1,1234 3.142,1235 4.169,1236 2.612,1237 10.354,1238 3.09,1239 1.99,1240 1.974,1241 2.065,1242 2.09,1243 1.205,1244 2.068,1245 1.91,1246 1.884,1247 1.987,1248 2.057,1249 1.096,1250 2.037,1251 1.761,1252 1.745,1253 1.853,1254 1.881,1255 0.952,1256 1.87,1257 1.271,1258 1.24,1259 1.569,1260 1.711,1261 0.574,1262 1.595,1263 1.21,1264 1.162,1265 1.344,1266 1.515,1267 0.336,1268 1.53,1269 1.14,1270 1.087,1271 1.285,1272 1.402,1273 0.303,1274 1.372,1275 0.897,1276 0.849,1277 1.128,1278 1.17,1279 0.198,1280 1.16,1281 0.894,1282 0.838,1283 1.118,1284 1.101,1285 0.137,1286 1.1,1287 4.143,1289 5.493,1291 7.036,1292 2.708,1293 8.663,1294 5.38,1295 10.333,1297 1.47,1302 9.778,1305 5.863,1306 5.149,1314 29.799,1315 71.923,1316 150.761,1317 185.29,1318 219.82,1319 226.574,1320 226.574,1321 57.492,1322 7.985,1323 123.93,1324 123.93,1325 25,1326 12.679,1327 4.459,1328 3.7,1329 42.414,1330 106,1331 100,1332 0.2,1333 181.206,1334 320.33,1335 433.904,1336 32063,1338 19.836,1339 0.708,1340 0.526,1341 19.836,1342 14.724,1343 13.457,1344 0.434,1345 0.269,1346 8.195,1347 12.799,1348 8.032,1349 6.65,1350 13.457,1351 8.343,1352 12.502,1353 0.278,1354 0.138,1355 12.502,1356 6.213,1357 10.81,1358 0.177,1359 0.074,1360 10.81,1361 4.509,1362 8.83,1363 0.112,1364 0.039,1365 8.83,1366 3.075,1367 7.417,1368 0.069,1369 0.02,1370 7.417,1371 2.172,1372 0.31,1373 85.726,1374 0.221,1375 26.396,1376 0.56,1377 152,1378 531.403,1379 169.481,1380 507.425,1381 678.87,1382 468,1383 182,1384 500.084,1385 199.43,1386 501.486,1387 728.63,1388 469,1389 5.1}
{0 CHEMBL1995811,1 1.719,2 13.156,3 4.644,4 21.567,5 116.589,6 8.968,7 0.75,8 4.021,9 4.133,10 3.74,11 3.596,12 5.3,13 3.614,14 4.491,15 4.624,16 4.111,17 3.976,18 5.79,19 3.986,20 4.721,21 4.898,22 4.122,23 4.03,24 6.01,25 4.023,26 4.761,27 4.969,28 4.083,29 3.93,30 6.136,31 3.93,32 4.643,33 4.846,34 4.049,35 3.837,36 6.156,37 3.852,38 4.533,39 4.724,40 3.961,41 3.824,42 5.807,43 3.828,44 4.536,45 4.734,46 3.961,47 3.812,48 5.87,49 3.81,50 4.451,51 4.636,52 3.822,53 3.769,54 5.789,55 3.748,56 0.179,57 0.91,58 6.227,59 3.858,60 11.988,61 4.055,62 0.313,63 1.428,64 11.194,65 6.281,66 18.74,67 6.795,68 0.519,69 1.705,70 18.306,71 8.295,72 56.643,73 9.022,74 0.815,75 1.67,76 22.397,77 8.013,78 100.34,79 9.14,80 0.897,81 1.556,82 20.225,83 6.855,84 122.853,85 7.871,86 0.523,87 1.361,88 16.023,89 6.187,90 49.696,91 6.992,92 0.6,93 1.43,94 16.568,95 6.514,96 54.036,97 7.458,98 0.48,99 1.31,100 14.962,101 6.585,102 52.743,103 7.353,104 10,105 51,106 0.284,107 0.609,108 0.748,109 0.872,110 0.888,111 0.888,112 3.502,113 0.813,114 -5.5,115 -5.38,116 -5.02,119 47.9,125 1,142 11,143 4,144 2,146 2,151 1,153 1,158 1,166 2,168 1,172 12,174 1,175 5,178 1,179 1,180 3,183 12,188 10,191 1,193 4,196 7,200 14,203 1,205 6,208 1,212 1,213 12,218 3,221 3,224 1,225 6,228 2,230 1,233 8,237 2,238 3,241 4,243 1,246 13,249 1,250 2,258 13,263 2,264 4,269 2,272 9,276 1844,277 21.825,278 21.825,279 21.825,280 21.825,281 21.825,282 18.493,283 19.156,284 12.81,285 22.134,286 17.797,287 17.797,288 17.797,289 17.797,290 17.797,291 12.811,292 26.06,293 6.146,294 18.331,295 3.866,296 1.897,297 1.059,298 0.307,299 0.208,300 0.208,301 4.21,305 1,306 1,307 930,308 3.162,311 160.31,312 302.904,315 133.601,319 2.229,320 41.435,323 0.75,324 1,325 1,326 0.4,328 1,329 1,330 0.74,331 71,332 421,333 4.58,334 3.633,335 6.585,336 4.12,337 3.143,338 4.522,339 1.058,340 10.5,341 3.069,342 4.35,343 3.142,344 6.399,345 3.96,346 2.979,347 3.994,348 0.522,349 9.724,350 2.918,351 4.23,352 2.994,353 6.142,354 3.812,355 2.846,356 3.876,358 9.093,359 2.746,360 3.915,361 2.941,362 5.547,363 3.542,364 2.555,365 3.451,367 7.558,368 2.523,369 3.64,370 2.706,371 5.224,372 3.216,373 2.255,374 3.042,376 6.374,377 2.153,378 3.555,379 2.684,380 5.047,381 3.114,382 2.146,383 2.924,385 6.071,386 2.071,387 3.361,388 2.221,389 4.96,390 2.919,391 1.989,392 2.68,394 5.716,395 1.836,396 3.184,397 1.991,398 4.764,399 2.715,400 1.751,401 2.407,403 4.895,404 1.662,405 2.939,406 1.563,407 4.306,408 2.483,409 1.496,410 2.123,412 3.963,413 1.476,414 2.783,415 1.404,416 4.076,417 2.297,418 1.321,419 1.91,421 3.296,422 1.286,423 2.629,424 1.355,425 3.773,426 2.151,427 1.173,428 1.682,430 2.96,431 1.144,432 2.527,433 1.2,434 3.576,435 2.008,436 1.009,437 1.5,439 2.628,440 1.002,441 2.5,442 1,443 3.281,444 2,445 1,446 1.487,448 2.136,449 1,450 2.207,451 0.85,452 3.247,453 1.708,454 0.727,455 1.065,457 1.739,458 0.711,459 2.089,460 0.817,461 3.239,462 1.595,463 0.605,464 0.887,466 1.504,467 0.597,468 14.805,469 0.463,470 0.78,471 0.024,472 46.5,473 1.453,474 26,475 0.813,476 20.5,477 0.641,478 21.975,479 0.687,480 32.595,481 0.679,482 37.21,483 1.163,484 9.641,485 0.301,486 5.923,487 0.185,488 0.061,490 0.365,494 2,496 0.548,497 0.842,498 0.603,499 0.852,500 0.514,501 0.775,502 0.646,503 1.032,504 0.744,505 1.036,506 0.574,507 0.955,508 1.02,509 1.156,510 1.031,511 1.161,512 0.977,513 1.117,514 1.01,515 1.043,516 1.035,517 1.007,518 0.948,519 1.009,520 0.83,521 0.84,522 0.871,523 0.822,524 0.731,525 0.831,526 0.852,527 0.857,528 0.925,529 0.886,530 0.789,531 0.906,532 0.819,533 0.761,534 0.914,535 0.865,536 0.847,537 0.904,538 0.973,539 0.99,540 1.017,541 1.025,542 0.99,543 1.038,544 6.5,545 0.159,546 3.556,547 2.076,548 1.623,549 0.948,550 0.608,551 0.478,552 0.268,553 0.278,554 15768,555 50221,556 2.154,557 33.3,559 13,560 1,562 2,567 1.743,568 2.043,569 3.676,570 0.239,577 82.527,578 1.719,579 3.688,580 4.526,581 5.278,582 5.377,583 5.377,584 3.102,585 4.625,586 4.969,587 3.859,588 1913.89,589 8.683,590 28429.2,592 1,595 268.078,596 1.317,597 4.943,598 0.181,599 0.005,600 0.07,601 0.042,602 0.036,603 0.022,604 0.014,605 0.012,606 0.007,607 0.009,608 0.398,609 0.17,610 0.75,611 0.476,612 169.602,613 0.031,614 0.09,615 0.034,616 0.054,617 -0.035,618 0.043,619 0.015,620 -0.101,621 -0.022,622 -0.113,623 0.013,624 -0.093,625 -0.122,626 -0.189,627 -0.125,628 -0.194,629 -0.087,630 -0.17,631 -0.002,632 -0.105,633 -0.013,634 -0.062,635 0.041,636 -0.041,637 0.179,638 0.066,639 0.14,640 0.107,641 0.272,642 0.12,643 -0.042,644 0.02,645 -0.012,646 0.023,647 -0.051,648 0.017,649 0.092,650 0.196,651 0.036,652 0.069,653 0.002,654 0.036,655 -0.025,657 -0.069,658 -0.024,659 -0.019,660 -0.051,661 2.483,662 5.936,663 0.813,664 36.867,665 1.026,666 1.133,667 4.273,668 18.255,669 0.707,670 3.611,671 3.951,672 4.234,673 4.511,674 4.71,675 4.779,676 4.956,677 5.118,678 5.236,679 5.366,680 7.711,681 0.704,682 430.45,683 3.611,684 5.165,685 6.023,686 6.907,687 7.78,688 8.666,689 9.547,690 10.435,691 11.32,692 12.21,693 12.5,700 1,701 2,703 3,708 2,709 12,710 3,711 1,714 7,715 1,716 27,723 1,734 2,735 48,737 28,738 3,739 36,741 52,742 23,743 21,744 7,745 11,746 1,748 5,749 6,762 22,763 1,767 1,772 1,776 1,780 1,781 2,783 16,784 7,785 2,786 9,792 6,797 0.8,798 1,807 1,815 2,816 3,819 1,843 4,849 2,851 32,858 1,860 1,871 1,873 2,874 2.1,877 1,881 15.667,882 8.752,883 6.889,884 2.718,886 4.973,887 1.595,888 1.053,889 5.219,890 13.326,891 3.942,892 4.6,893 5.223,894 5.84,895 6.337,896 6.648,897 7.131,898 7.601,899 7.963,900 8.376,901 0.889,902 49,903 11.867,905 5.289,906 8.036,907 21.837,909 18.046,911 2.536,912 81.167,915 1,916 164.795,917 157.697,918 86.317,920 25.145,921 29.92,923 157.697,924 189.94,925 116.237,927 20.116,928 113.286,929 79.716,930 56.04,931 41.691,932 153.024,934 164.795,935 244.014,936 55.065,939 194.716,940 25.145,943 45.785,944 148.363,945 49.867,947 194.716,948 111.462,949 157.697,952 164.795,953 44.411,954 115.063,955 34.674,956 104.932,957 164.795,958 141.382,959 157.697,961 0.587,962 0.342,963 0.186,964 0.099,965 26,966 11,967 0.096,968 5,969 1,970 1.077,971 4.424,972 297.452,973 0.077,974 26,975 156,981 20.044,982 8.332,983 4.167,984 1.2,985 122.942,986 19.855,987 12.57,988 2.726,991 0.877,992 1.736,993 34.674,994 463.874,995 50.5,1000 12.469,1004 -0.785,1007 49.265,1008 54.37,1009 0.308,1010 0.66,1011 0.81,1012 0.945,1013 0.963,1014 0.963,1015 5.169,1016 1.751,1017 6.009,1018 5.716,1019 4.635,1020 5.288,1021 1.331,1022 6.817,1023 4.577,1024 6.397,1025 1.496,1026 7.564,1027 4.895,1028 4.205,1029 5.085,1031 7.678,1032 4.101,1033 7.711,1034 1.321,1035 9.215,1036 3.963,1037 6.229,1038 7.543,1039 1.297,1040 10.78,1041 6.12,1042 9.062,1043 1.173,1044 10.923,1045 3.296,1046 6.621,1047 8.186,1049 12.476,1050 6.474,1051 10.443,1052 1.009,1053 12.669,1054 2.96,1055 8.1,1056 10.082,1057 1.348,1058 15.076,1059 7.946,1060 11.847,1061 1,1062 14.44,1063 2.628,1064 8.872,1065 11.136,1067 17.122,1068 8.684,1069 13.268,1070 0.727,1071 16.23,1072 2.136,1073 10.131,1074 12.793,1075 1.425,1076 19.543,1077 9.931,1078 3.143,1079 0.605,1080 18.035,1081 1.739,1082 11.083,1083 14.057,1085 21.742,1086 10.854,1087 2.979,1088 10.5,1089 19.852,1090 1.504,1091 12.252,1092 15.61,1093 1.51,1094 24.097,1095 12.006,1096 2.846,1097 9.724,1098 21.677,1099 4.522,1100 13.289,1101 16.982,1103 26.363,1104 13.017,1105 2.555,1106 9.093,1107 23.51,1108 3.994,1109 14.423,1110 18.491,1111 1.599,1112 28.696,1113 14.131,1114 2.255,1115 7.558,1116 25.348,1117 3.876,1118 15.501,1119 19.92,1121 30.993,1122 15.184,1123 2.146,1124 6.374,1125 27.192,1126 3.451,1127 16.623,1128 21.413,1129 1.69,1130 33.319,1131 16.284,1132 1.989,1133 6.071,1134 29.039,1135 3.042,1136 17.722,1137 22.872,1139 35.633,1140 17.359,1141 14589,1142 26279,1143 24.561,1144 33.932,1145 54.892,1146 56.015,1147 55.332,1148 54.195,1149 54.181,1150 75.332,1151 3.16,1152 156.739,1153 52.554,1154 5.421,1155 5.633,1156 6.387,1157 5.162,1158 5.143,1159 7.522,1160 2.117,1161 17.389,1162 5.069,1163 13.113,1164 1.525,1165 1.556,1166 1.537,1167 1.505,1168 1.505,1169 2.093,1170 0.088,1171 4.354,1172 1.46,1173 4.132,1174 4.174,1175 4.103,1176 4.021,1177 8.206,1178 4.035,1179 3.951,1180 4.002,1181 3.905,1182 3.856,1183 8.196,1184 3.854,1185 3.925,1186 3.946,1187 3.888,1188 3.838,1189 7.429,1190 3.847,1191 3.773,1192 3.829,1193 3.726,1194 3.567,1195 5.139,1196 3.605,1197 3.42,1198 3.477,1199 3.359,1200 3.209,1201 5.027,1202 3.238,1203 3.221,1204 3.265,1205 3.17,1206 3.014,1207 4.736,1208 3.039,1209 3.039,1210 3.105,1211 2.936,1212 2.898,1213 4.462,1214 2.897,1215 2.939,1216 2.987,1217 2.9,1218 2.735,1219 4.324,1220 2.753,1221 0.127,1222 0.101,1223 0.183,1224 0.114,1225 0.087,1226 4.58,1227 0.126,1228 3.633,1229 0.029,1230 6.585,1231 0.292,1232 4.12,1233 0.085,1234 3.143,1235 4.522,1236 1.058,1237 10.5,1238 3.069,1239 1.95,1240 1.93,1241 2.046,1242 2.031,1243 1.185,1244 2.033,1245 1.912,1246 1.882,1247 2.012,1248 2.01,1249 1.151,1250 2.011,1251 1.879,1252 1.86,1253 1.953,1254 1.976,1255 1.042,1256 1.971,1257 1.464,1258 1.407,1259 1.618,1260 1.745,1261 0.76,1262 1.693,1263 1.418,1264 1.347,1265 1.539,1266 1.695,1267 0.549,1268 1.67,1269 1.214,1270 1.154,1271 1.337,1272 1.455,1273 0.431,1274 1.409,1275 1.06,1276 1.03,1277 1.211,1278 1.321,1279 0.244,1280 1.275,1281 0.886,1282 0.821,1283 1.181,1284 1.074,1285 0.218,1286 1.107,1287 4.29,1289 5.624,1290 3.045,1291 7.14,1292 5.352,1293 8.737,1294 7.402,1295 10.378,1299 27.374,1303 0.586,1305 2.561,1314 33.771,1315 82.527,1316 177.005,1317 217.27,1318 253.323,1319 258.078,1320 258.078,1321 64.395,1322 8.354,1323 88.49,1324 88.49,1325 28,1326 12.74,1327 4.858,1328 3.954,1329 45.834,1330 147,1331 154,1332 0.149,1333 203.53,1334 342.77,1335 488.372,1336 57714,1337 4.2,1338 22.079,1339 0.69,1340 0.518,1341 20.338,1342 16.588,1343 15.564,1344 0.432,1345 0.271,1346 9.591,1347 14.851,1348 9.459,1349 7.805,1350 14.759,1351 9.756,1352 14.286,1353 0.28,1354 0.141,1355 13.124,1356 7.196,1357 12.168,1358 0.179,1359 0.073,1360 11.371,1361 4.987,1362 10.273,1363 0.114,1364 0.038,1365 9.624,1366 3.396,1367 8.231,1368 0.075,1369 0.02,1370 7.58,1371 2.213,1372 0.238,1373 98.529,1374 0.202,1375 30.206,1376 0.399,1377 174,1378 645.204,1379 195.005,1380 578.71,1381 779.09,1382 538,1383 206,1384 577.467,1385 227.551,1386 571.109,1387 830.57,1388 537,1389 5.5}
{0 CHEMBL1995813,1 1.439,2 9.348,3 2.132,4 4.545,5 90.541,6 7.173,7 0.615,8 3.875,9 4.021,10 3.42,11 3.398,12 4.924,13 3.379,14 4.419,15 4.607,16 3.778,17 3.822,18 5.407,19 3.766,20 4.721,21 4.978,22 3.788,23 3.924,24 5.61,25 3.83,26 4.715,27 4.993,28 3.662,29 3.842,30 5.603,31 3.737,32 4.601,33 4.885,34 3.589,35 3.718,36 5.541,37 3.62,38 4.419,39 4.677,40 3.507,41 3.607,42 5.392,43 3.531,44 4.302,45 4.541,46 3.313,47 3.558,48 5.227,49 3.444,50 4.262,51 4.516,52 3.165,53 3.494,54 5.062,55 3.35,56 0.048,57 0.712,58 9.431,59 3.425,60 9.901,61 5.044,62 0.185,63 1.138,64 17.236,65 6.328,66 19.528,67 9.239,68 0.226,69 1.349,70 25.345,71 7.943,72 29.742,73 12.449,74 0.298,75 1.287,76 25.956,77 7.339,78 34.081,79 11.847,80 0.308,81 1.145,82 23.317,83 6.65,84 37.566,85 10.664,86 0.259,87 1.009,88 18.891,89 5.17,90 28.182,91 8.327,92 0.195,93 0.895,94 16.291,95 5.46,96 23.31,97 8.23,98 0.099,99 0.816,100 15.77,101 5.817,102 16.718,103 8.716,104 2,105 36,106 0.25,107 0.627,108 0.778,109 0.854,110 0.886,111 0.902,112 3.189,113 0.933,114 -3.38,115 -3.37,116 -3.22,119 39.5,121 4,127 2,142 3,143 2,145 2,146 1,150 1,151 1,161 1,163 1,164 1,165 1,172 6,174 1,175 5,178 3,180 4,183 5,185 1,188 3,192 1,193 5,195 1,196 3,198 2,200 4,203 1,205 6,208 1,210 1,212 1,213 7,215 2,216 2,218 1,221 1,225 3,228 1,229 1,230 1,233 2,237 1,238 1,241 1,243 3,246 5,248 2,255 2,258 5,260 1,264 1,268 1,269 3,271 1,272 4,274 1,276 668,277 15.999,278 15.999,279 15.999,280 15.999,281 15.999,282 14.182,283 10.605,284 9.565,285 16.317,286 12.87,287 12.87,288 12.87,289 12.87,290 12.87,291 10.173,292 17.803,293 4.552,294 13.413,295 3.987,296 1.82,297 0.948,298 0.512,299 0.326,300 0.233,301 3.892,304 1,305 1,306 1,307 479,308 2.121,311 44.209,312 193.746,315 84.343,319 1.463,320 16.36,321 1,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 49,332 215,333 4.594,334 3.164,335 6.71,336 4.135,337 3.158,338 4.531,339 0.4,340 10.906,341 3.086,342 4.072,343 2.985,344 6.067,345 3.805,346 2.846,347 3.682,349 8.782,350 2.734,351 3.787,352 2.601,353 5.78,354 3.509,355 2.562,356 2.961,358 7.907,359 2.423,360 3.478,361 2.214,362 5.238,363 3.08,364 2.142,365 2.701,367 6.47,368 2.001,369 3.047,370 1.624,371 4.544,372 2.53,373 1.563,374 2.32,376 4.36,377 1.51,378 2.977,379 1.546,380 4.146,381 2.503,382 1.542,383 2.183,385 3.705,386 1.477,387 2.69,388 1.467,389 4,390 2.403,391 1.414,392 1.774,394 3.438,395 1.397,396 2.5,397 1.41,398 3.599,399 2.34,400 1.374,401 1.5,403 2.967,404 1.325,405 2.426,406 1.196,407 3.568,408 2.141,409 1.185,410 1.423,412 2.688,413 1.13,414 2.414,415 1,416 3.475,417 1.949,418 1,419 1.414,421 2.428,422 0.946,423 1.971,424 0.487,425 3.085,426 1.424,427 0.486,428 0.717,430 1.167,431 0.455,432 1.289,433 0.347,434 2.884,435 1.131,436 0.187,437 0.2,439 0.448,440 0.176,441 0.852,442 -0.249,443 2.406,444 0.538,445 -0.406,446 -0.451,448 -0.953,449 -0.382,450 0.727,451 -0.595,452 2,453 0.34,454 -0.609,455 -0.796,457 -1.549,458 -0.576,459 0.656,460 -0.743,461 2,462 0.158,463 -0.809,464 -0.9,466 -1.963,467 -0.778,468 10.9,469 0.474,470 0.448,471 0.019,472 30.25,473 1.315,474 14.5,475 0.63,476 15.75,477 0.685,478 17.78,479 0.773,480 24.5,481 0.57,482 19.037,483 0.828,484 5.507,485 0.239,486 5.803,487 0.252,488 0.037,490 0.321,496 1.09,497 1.341,498 0.843,499 1.024,500 1.066,501 0.92,502 0.751,503 1.144,504 0.924,505 1.121,506 0.734,507 1.058,508 0.996,509 1.128,510 0.921,511 1.007,512 0.916,513 0.962,514 1.249,515 0.984,516 1.01,517 0.896,518 1.203,519 0.916,520 1.078,521 0.896,522 0.899,523 0.823,524 0.978,525 0.834,526 1.379,527 0.963,528 1.05,529 0.864,530 1.247,531 0.904,532 1.054,533 0.967,534 1.184,535 1.115,536 1.117,537 1.159,538 0.709,539 1.111,540 1.036,541 1.214,542 0.833,543 1.177,544 3.5,545 0.037,546 2.444,547 1.444,548 0.992,549 0.309,550 0.358,551 0.233,552 0.142,553 0.108,554 5997,555 13170,556 2.196,557 46.5,558 4,559 5,560 1,561 2,562 4,564 4,567 1.657,568 2.123,569 3.225,570 1.822,571 1,572 1,574 1,577 61.894,578 1.439,579 3.607,580 4.478,581 4.915,582 5.101,583 5.194,584 2.666,585 4.35,586 4.499,587 3.347,588 846.859,589 7.742,590 9530.38,592 1,594 1,595 233.329,596 1.121,597 4.483,598 0.135,599 0.003,600 0.068,601 0.041,602 0.033,603 0.011,604 0.014,605 0.011,606 0.008,607 0.007,608 0.331,609 0.33,610 1,611 0.393,612 107.09,613 -0.129,614 -0.102,615 0.045,616 0.034,617 -0.093,618 0.058,619 0.19,620 -0.002,621 -0.008,622 -0.087,623 0.134,624 -0.076,625 -0.01,626 -0.138,627 0.053,628 -0.029,629 0.072,630 0.013,631 -0.126,632 -0.015,633 -0.008,634 0.037,635 -0.106,636 0.032,637 0.057,638 0.061,639 0.112,640 0.106,641 0.106,642 0.115,643 -0.127,644 0.077,645 -0.051,646 0.053,647 -0.132,648 0.018,649 -0.087,650 0.069,651 -0.233,652 -0.122,653 -0.15,654 -0.185,655 -0.019,656 -0.165,657 -0.097,658 -0.168,659 -0.061,660 -0.147,661 1.159,662 2.203,663 0.913,664 16.915,665 0.995,666 1.137,667 2.153,668 4.637,669 0.66,670 3.296,671 3.611,672 3.912,673 4.19,674 4.394,675 4.407,676 4.543,677 4.682,678 4.7,679 4.771,680 5.598,681 0.624,682 308.43,683 3.296,684 4.828,685 5.687,686 6.564,687 7.438,688 8.32,689 9.2,690 10.086,691 10.968,692 11.855,693 14,694 1,698 1,701 1,703 3,708 2,709 6,710 3,711 1,714 3,716 16,728 1,735 43,737 16,739 26,741 46,742 17,743 11,748 4,749 5,757 6,760 6,762 11,763 6,779 1,780 1,783 20,784 5,785 4,786 6,792 6,797 0.75,809 1,810 1,811 1,815 1,816 3,819 1,836 1,843 3,851 23,852 1,858 4,860 1,863 2,881 10.833,882 7.35,883 5.028,884 2.701,886 3.225,887 1.44,888 1.023,889 3.878,890 10.547,891 3.555,892 4.155,893 4.782,894 5.412,895 5.942,896 6.265,897 6.732,898 7.178,899 7.373,900 7.73,901 1,902 35,903 8.49,905 3.649,906 7.543,907 16.611,909 14.12,911 2.043,912 47,916 188.338,917 77.839,918 118.05,923 77.839,924 188.338,925 118.05,927 43.035,928 37.476,929 93.625,930 43.396,931 13.67,932 153.024,934 188.338,935 195.889,939 141.253,940 47.084,943 84.287,944 43.235,945 68.367,947 188.338,948 118.05,949 77.839,952 188.338,953 22.268,954 55.571,955 34.796,956 83.254,957 188.338,958 118.05,959 77.839,961 0.577,962 0.344,963 0.193,964 0.103,965 19,966 7,967 0.065,968 3,969 1,970 1.095,971 3.621,972 189.038,973 0.095,974 21,975 104.042,981 14.462,982 6.168,983 2.888,984 1.927,985 101.265,986 11.396,987 13.345,988 3.183,991 2.556,993 67.693,994 384.227,995 34,1007 42.796,1008 48.896,1009 0.265,1010 0.665,1011 0.825,1012 0.906,1013 0.94,1014 0.957,1015 4.779,1016 1.374,1017 5.652,1018 3.438,1019 4.29,1020 4.84,1021 0.278,1022 6.457,1023 4.21,1024 5.964,1025 1.185,1026 7.2,1027 2.967,1028 3.761,1029 4.543,1031 7.334,1032 3.649,1033 7.258,1034 1,1035 8.851,1036 2.688,1037 5.866,1038 7.053,1039 0.05,1040 10.461,1041 5.715,1042 8.592,1043 0.486,1044 10.566,1045 2.428,1046 6.217,1047 7.69,1049 12.217,1050 6.041,1051 9.965,1052 0.187,1053 12.324,1054 1.167,1055 7.745,1056 9.622,1057 0.008,1058 14.837,1059 7.536,1060 11.366,1061 -0.406,1062 14.11,1063 0.448,1064 8.509,1065 10.713,1067 16.947,1068 8.281,1069 12.789,1070 -0.609,1071 15.917,1072 -0.953,1073 9.796,1074 12.398,1075 0.001,1076 19.401,1077 9.538,1078 3.158,1079 -0.809,1080 17.74,1081 -1.549,1082 10.753,1083 13.71,1085 21.661,1086 10.478,1087 2.846,1088 10.906,1089 19.575,1090 -1.963,1091 11.94,1092 15.287,1094 24.061,1095 11.639,1096 2.562,1097 8.782,1098 21.419,1099 4.531,1100 12.988,1101 16.704,1103 26.388,1104 12.67,1105 2.142,1106 7.907,1107 23.27,1108 3.682,1109 14.135,1110 18.237,1112 28.772,1113 13.795,1114 1.563,1115 6.47,1116 25.128,1117 2.961,1118 15.227,1119 19.702,1121 31.13,1122 14.867,1123 1.542,1124 4.36,1125 26.991,1126 2.701,1127 16.362,1128 21.218,1130 33.512,1131 15.981,1132 1.414,1133 3.705,1134 28.858,1135 2.32,1136 17.475,1137 22.706,1139 35.884,1140 17.074,1141 5587,1142 8428,1143 18.087,1144 28.364,1145 39.144,1146 38.972,1147 39.73,1148 38.916,1149 38.921,1150 50.813,1151 0.8,1152 110.531,1153 37.32,1154 5.594,1155 5.164,1156 6.398,1157 5.207,1158 5.158,1159 7.531,1160 0.8,1161 18.066,1162 5.086,1163 5.992,1164 1.506,1165 1.499,1166 1.528,1167 1.497,1168 1.497,1169 1.954,1170 0.031,1171 4.251,1172 1.435,1173 4.124,1174 4.165,1175 4.092,1176 4.013,1177 5.107,1178 4.028,1179 3.903,1180 3.965,1181 3.807,1182 3.764,1183 5.005,1184 3.76,1185 3.741,1186 3.798,1187 3.666,1188 3.585,1189 4.928,1190 3.603,1191 3.367,1192 3.433,1193 3.268,1194 3.213,1195 4.35,1196 3.219,1197 3.231,1198 3.33,1199 3.054,1200 3.024,1201 4.176,1202 3.02,1203 3.177,1204 3.27,1205 2.984,1206 2.978,1207 3.96,1208 2.963,1209 2.877,1210 2.961,1211 2.791,1212 2.655,1213 3.911,1214 2.683,1215 2.818,1216 2.917,1217 2.649,1218 2.587,1219 3.752,1220 2.598,1221 0.177,1222 0.122,1223 0.258,1224 0.159,1225 0.121,1226 4.594,1227 0.174,1228 3.164,1229 0.015,1230 6.71,1231 0.419,1232 4.135,1233 0.119,1234 3.158,1235 4.531,1236 0.4,1237 10.906,1238 3.086,1239 1.912,1240 1.879,1241 2.086,1242 2.062,1243 1.464,1244 2.068,1245 1.868,1246 1.816,1247 1.973,1248 2.002,1249 1.082,1250 1.997,1251 1.725,1252 1.675,1253 1.827,1254 1.913,1255 0.848,1256 1.894,1257 1.389,1258 1.321,1259 1.554,1260 1.627,1261 0.802,1262 1.613,1263 1.214,1264 1.127,1265 1.525,1266 1.488,1267 0.77,1268 1.507,1269 1.18,1270 1.092,1271 1.482,1272 1.416,1273 0.514,1274 1.445,1275 1.002,1276 0.951,1277 1.179,1278 1.163,1279 0.282,1280 1.175,1281 0.782,1282 0.688,1283 1.099,1284 1.1,1285 0.076,1286 1.118,1287 3.97,1289 5.283,1290 2.398,1291 6.801,1292 4.727,1293 8.408,1294 6.843,1295 10.058,1301 6.203,1303 4.555,1305 3.408,1308 0.428,1314 26.816,1315 61.894,1316 155.091,1317 192.574,1318 211.329,1319 219.329,1320 223.329,1321 28.784,1322 7.322,1323 92.51,1324 92.51,1325 23,1326 12.387,1327 4.087,1328 3.17,1329 31.869,1330 78,1331 67,1332 0.202,1333 164.541,1334 268.04,1335 393.239,1336 15185,1338 15.648,1339 0.68,1340 0.559,1341 15.648,1342 12.866,1343 11.31,1344 0.435,1345 0.311,1346 7.993,1347 10.95,1348 7.877,1349 6.521,1350 11.31,1351 8.087,1352 10,1353 0.278,1354 0.169,1355 10,1356 6.067,1357 8.743,1358 0.178,1359 0.092,1360 8.743,1361 4.517,1362 7.471,1363 0.115,1364 0.05,1365 7.471,1366 3.251,1367 6.063,1368 0.076,1369 0.028,1370 6.063,1371 2.22,1372 0.314,1373 70.326,1374 0.235,1375 22.465,1376 0.564,1377 124,1378 300.913,1379 134.519,1380 300.517,1381 427.33,1382 284,1383 147,1384 331.324,1385 157.852,1386 336.15,1387 494.75,1388 319,1389 6.6}
{0 CHEMBL1995832,1 1.76,2 10.844,3 4.027,4 16.213,5 115.705,6 8.157,7 0.629,8 4.113,9 4.229,10 3.743,11 3.588,12 5.337,13 3.61,14 4.63,15 4.802,16 4.132,17 3.969,18 5.842,19 3.984,20 4.847,21 5.025,22 4.241,23 4.121,24 6.086,25 4.113,26 5.046,27 5.295,28 4.233,29 4.117,30 6.304,31 4.103,32 4.853,33 5.062,34 4.22,35 4.121,36 6.003,37 4.112,38 4.897,39 5.088,40 4.295,41 4.16,42 6.213,43 4.157,44 4.915,45 5.101,46 4.239,47 4.13,48 6.218,49 4.116,50 4.912,51 5.135,52 4.04,53 4.012,54 6.158,55 3.958,56 0.164,57 0.971,58 9.486,59 4.525,60 15.577,61 5.43,62 0.522,63 1.515,64 19.526,65 7.364,66 46.38,67 9.141,68 0.595,69 1.866,70 24.035,71 9.38,72 54.794,73 11.685,74 1.244,75 2.006,76 37.403,77 9.849,78 149.913,79 13.792,80 0.65,81 1.795,82 26.118,83 8.629,84 52.391,85 11.696,86 0.785,87 1.932,88 25.817,89 8.678,90 67.062,91 11.447,92 0.802,93 1.958,94 27.095,95 9.885,96 66.603,97 12.349,98 0.907,99 1.785,100 29.649,101 9.816,102 80.091,103 12.977,104 44,105 51,106 0.289,107 0.66,108 0.829,109 0.865,110 0.865,111 0.865,112 3.503,113 0.846,114 -4.35,115 -4.28,116 -4.04,119 40.7,120 2,123 1,124 1,125 2,142 4,143 1,144 2,145 2,146 2,147 1,150 1,151 1,152 1,161 1,172 4,174 3,175 3,178 2,180 2,183 4,187 5,188 3,193 4,196 1,199 1,200 7,204 1,205 1,208 1,212 1,213 9,216 1,221 1,224 3,225 7,228 3,230 1,233 3,238 6,243 1,246 2,249 2,250 5,253 2,255 3,258 1,264 2,267 1,272 3,276 1924,277 21.394,278 21.394,279 21.394,280 21.394,281 21.394,282 18.818,283 16.552,284 12.193,285 22.083,286 17.108,287 17.108,288 17.108,289 17.108,290 17.108,291 13.149,292 20.843,293 5.597,294 18.231,295 3.995,296 1.736,297 0.709,298 0.486,299 0.486,300 0.486,301 4.194,305 1,306 1,307 736,308 3.873,311 65.362,312 266.491,315 127.995,319 1.551,320 47.319,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 72,332 347,333 4.778,334 3.423,335 7.089,336 4.316,337 3.368,338 4.73,339 0.86,340 12.312,341 3.197,342 4.266,343 3.228,344 6.69,345 4.169,346 3.179,347 3.946,348 0.4,349 10.767,350 3.149,351 4.193,352 3.153,353 6.384,354 3.819,355 2.869,356 3.73,358 9.689,359 2.715,360 4.09,361 2.871,362 6.085,363 3.645,364 2.711,365 3.247,367 8.748,368 2.527,369 3.758,370 2.703,371 5.446,372 3.31,373 2.391,374 3.152,376 7.121,377 2.19,378 3.501,379 2.547,380 5.193,381 3.077,382 2.147,383 2.849,385 6.245,386 1.981,387 3.212,388 2.047,389 5.016,390 2.764,391 1.848,392 2.461,394 5.582,395 1.686,396 3.116,397 2.028,398 4.748,399 2.618,400 1.7,401 2.378,403 4.818,404 1.545,405 2.891,406 1.493,407 4.269,408 2.376,409 1.437,410 2.058,412 3.644,413 1.342,414 2.714,415 1.393,416 4.039,417 2.219,418 1.272,419 1.808,421 3.194,422 1.2,423 2.585,424 1.173,425 3.641,426 2.055,427 1.1,428 1.626,430 2.654,431 1.046,432 2.261,433 1.165,434 3.55,435 1.771,436 0.882,437 1.176,439 2.145,440 0.78,441 1.825,442 1.118,443 3.459,444 1.631,445 0.719,446 0.777,448 1.613,449 0.652,450 1.593,451 0.771,452 2.964,453 1.225,454 0.349,455 0.42,457 0.611,458 0.303,459 1.37,460 0.602,461 2.86,462 1.212,463 0.335,464 0.348,466 0.477,467 0.292,468 14.638,469 0.457,470 0.933,471 0.029,472 43,473 1.344,474 21,475 0.656,476 22,477 0.688,478 27.863,479 0.871,480 35.162,481 0.651,482 36.5,483 1.141,484 8.556,485 0.267,486 6.769,487 0.212,488 0.164,489 0.034,490 0.335,494 2,496 0.749,497 1.244,498 0.695,499 1.155,500 0.656,501 0.963,502 0.822,503 0.947,504 0.707,505 0.833,506 0.663,507 0.76,508 0.854,509 1.241,510 0.923,511 1.229,512 0.872,513 1.129,514 0.974,515 0.758,516 0.839,517 0.632,518 0.864,519 0.666,520 0.76,521 0.917,522 0.793,523 0.846,524 0.645,525 0.817,526 0.747,527 0.919,528 0.913,529 0.959,530 0.621,531 0.963,532 0.951,533 1.213,534 0.998,535 1.228,536 0.913,537 1.151,538 0.887,539 1.016,540 1.08,541 1.174,542 0.878,543 1.193,544 7.5,545 0.297,546 4,547 2.542,548 2.229,549 1.535,550 0.874,551 0.789,552 0.532,553 0.411,554 12254,555 39484,556 2.037,557 40.7,558 6,559 11,560 1,561 2,562 2,567 1.753,568 1.873,569 3.345,570 0.27,572 1,577 95.039,578 1.76,579 4.019,580 5.046,581 5.269,582 5.269,583 5.269,584 2.844,585 4.875,586 4.967,587 3.542,588 1756.96,589 8.738,590 24762.4,592 1,594 1,595 310.764,596 1.646,597 4.907,598 0.214,599 0.011,600 0.078,601 0.047,602 0.042,603 0.028,604 0.015,605 0.015,606 0.013,607 0.012,608 0.477,609 0.17,610 1,611 1.328,612 164.918,613 -0.082,614 -0.217,615 0.033,616 -0.098,617 -0.081,618 -0.019,619 -0.017,620 0.014,621 0.144,622 0.157,623 0.009,624 0.182,625 -0.006,626 -0.187,627 -0.057,628 -0.221,629 -0.034,630 -0.175,631 -0.006,632 0.11,633 0.187,634 0.28,635 0.063,636 0.296,637 -0.04,638 0.01,639 0.094,640 0.112,641 -0.032,642 0.142,643 0.048,644 0.073,645 -0.045,646 -0.019,647 0.062,648 -0.049,649 0.017,650 -0.15,651 -0.086,652 -0.219,653 0.005,654 -0.192,655 0.063,656 -0.049,657 -0.107,658 -0.201,659 0.023,660 -0.216,661 2.418,662 6.708,663 0.656,664 32.008,665 1.023,666 1.145,667 3.121,668 9.739,669 0.661,670 3.584,671 3.951,672 4.234,673 4.533,674 4.828,675 5.017,676 5.209,677 5.389,678 5.493,679 5.545,680 6.478,681 0.649,682 440.5,683 3.584,684 5.153,685 6.019,686 6.927,687 7.818,688 8.736,689 9.641,690 10.564,691 11.478,692 12.405,693 11.1,698 1,701 1,703 4,708 1,709 7,710 4,714 8,716 22,728 1,733 1,734 2,735 54,737 22,738 1,739 35,741 57,742 22,743 16,744 3,745 3,748 4,749 5,754 3,755 1,762 16,763 6,780 1,781 2,783 22,784 9,785 2,786 10,789 1,792 6,797 0.75,798 2,799 1,806 1,810 1,815 1,816 3,819 1,841 1,843 3,847 3,849 2,851 32,857 1,858 2,860 1,861 1,865 1,873 2,874 3.7,875 1,879 1,881 17.083,882 10.736,883 7.028,884 2.98,886 4.286,887 1.535,888 0.953,889 6.05,890 12.292,891 3.85,892 4.514,893 5.155,894 5.827,895 6.455,896 6.921,897 7.444,898 7.963,899 8.36,900 8.728,901 1,902 54,903 11.877,905 5.174,906 8.039,907 21.869,909 17.739,911 2.539,912 81.25,915 1,916 235.422,917 133.813,918 86.439,920 53.683,921 29.92,923 133.813,924 289.105,925 116.36,926 28.533,927 2.106,928 89.636,929 110.41,930 57.322,931 51.162,932 200.109,934 235.422,935 220.253,936 83.603,939 265.342,940 11,941 42.683,943 48.265,944 86.834,945 85.153,947 265.342,948 140.123,949 133.813,952 235.422,953 40.233,954 94.867,955 18.011,956 150.746,957 235.422,958 170.043,959 133.813,961 0.589,962 0.346,963 0.181,964 0.105,965 25,966 12,967 0.123,968 7,969 1,970 1.095,971 4.061,972 307.947,973 0.095,974 21,975 158,981 22.065,982 8.773,983 4.434,984 0.36,985 168.756,986 9.748,987 17.514,991 0.456,993 60.694,994 539.278,995 46,1007 55.243,1008 61.825,1009 0.306,1010 0.698,1011 0.877,1012 0.915,1013 0.915,1014 0.915,1015 5.109,1016 1.7,1017 6.052,1018 5.582,1019 4.635,1020 5.201,1021 1.029,1022 6.934,1023 4.515,1024 6.358,1025 1.437,1026 7.662,1027 4.818,1028 4.443,1029 5.156,1031 8.129,1032 4.298,1033 7.703,1034 1.272,1035 9.376,1036 3.644,1037 6.34,1038 7.495,1039 0.763,1040 11.172,1041 6.135,1042 9.085,1043 1.1,1044 11.151,1045 3.194,1046 6.938,1047 8.255,1049 13.145,1050 6.714,1051 10.497,1052 0.882,1053 12.965,1054 2.654,1055 8.359,1056 10.106,1057 0.597,1058 15.782,1059 8.087,1060 11.931,1061 0.719,1062 14.805,1063 2.145,1064 9.288,1065 11.257,1067 18.052,1068 8.995,1069 13.382,1070 0.349,1071 16.664,1072 1.613,1073 10.544,1074 12.912,1075 0.47,1076 20.571,1077 10.211,1078 3.368,1079 0.335,1080 18.538,1081 0.611,1082 11.616,1083 14.263,1085 22.961,1086 11.256,1087 3.179,1088 12.312,1089 20.422,1090 0.477,1091 12.816,1092 15.839,1093 0.367,1094 25.448,1095 12.419,1096 2.869,1097 10.767,1098 22.314,1099 4.73,1100 13.949,1101 17.289,1103 27.892,1104 13.522,1105 2.711,1106 9.689,1107 24.215,1108 3.946,1109 15.134,1110 18.838,1111 0.283,1112 30.374,1113 14.67,1114 2.391,1115 8.748,1116 26.12,1117 3.73,1118 16.297,1119 20.337,1121 32.844,1122 15.798,1123 2.147,1124 7.121,1125 28.031,1126 3.247,1127 17.48,1128 21.879,1129 0.217,1130 35.33,1131 16.944,1132 1.848,1133 6.245,1134 29.947,1135 3.152,1136 18.657,1137 23.402,1139 37.813,1140 18.083,1141 12024,1142 21790,1143 22.77,1144 35.671,1145 52.879,1146 54.472,1147 55.545,1148 52.561,1149 52.62,1150 69.411,1151 2.52,1152 159.236,1153 49.211,1154 5.641,1155 5.423,1156 6.676,1157 5.391,1158 5.368,1159 7.73,1160 1.72,1161 19.925,1162 5.197,1163 18.615,1164 1.511,1165 1.556,1166 1.587,1167 1.502,1168 1.503,1169 1.983,1170 0.072,1171 4.55,1172 1.406,1173 4.157,1174 4.2,1175 4.144,1176 4.006,1177 8.211,1178 4.034,1179 3.864,1180 3.902,1181 3.833,1182 3.756,1183 8.191,1184 3.77,1185 3.839,1186 3.889,1187 3.775,1188 3.675,1189 6.456,1190 3.683,1191 3.714,1192 3.767,1193 3.611,1194 3.563,1195 5.151,1196 3.576,1197 3.333,1198 3.385,1199 3.269,1200 3.122,1201 4.961,1202 3.148,1203 3.21,1204 3.277,1205 3.066,1206 2.968,1207 4.619,1208 2.979,1209 3.117,1210 3.206,1211 2.967,1212 2.866,1213 4.433,1214 2.878,1215 2.981,1216 3.063,1217 2.866,1218 2.733,1219 4.292,1220 2.735,1221 0.137,1222 0.098,1223 0.203,1224 0.123,1225 0.096,1226 4.778,1227 0.135,1228 3.423,1229 0.025,1230 7.089,1231 0.352,1232 4.316,1233 0.091,1234 3.368,1235 4.73,1236 0.86,1237 12.312,1238 3.197,1239 1.92,1240 1.894,1241 2.007,1242 2.079,1243 1.286,1244 2.047,1245 1.847,1246 1.807,1247 1.974,1248 1.993,1249 1.106,1250 1.975,1251 1.784,1252 1.731,1253 1.908,1254 1.967,1255 0.981,1256 1.971,1257 1.68,1258 1.635,1259 1.783,1260 1.859,1261 0.777,1262 1.847,1263 1.292,1264 1.25,1265 1.571,1266 1.546,1267 0.578,1268 1.548,1269 1.161,1270 1.085,1271 1.417,1272 1.428,1273 0.544,1274 1.424,1275 1.067,1276 0.976,1277 1.414,1278 1.343,1279 0.469,1280 1.338,1281 0.934,1282 0.836,1283 1.333,1284 1.299,1285 0.425,1286 1.315,1287 4.263,1289 5.617,1290 2.398,1291 7.166,1292 4.844,1293 8.803,1294 7.081,1295 10.485,1297 5.274,1299 28.239,1302 9.48,1303 0.436,1305 3.114,1306 5.312,1310 -0.371,1314 35.066,1315 95.039,1316 217.007,1317 272.499,1318 284.499,1319 284.499,1320 284.499,1321 75.853,1322 8.005,1323 97.46,1324 97.46,1325 23,1326 12.912,1327 4.524,1328 3.585,1329 51.421,1330 117,1331 148,1332 0.208,1333 214.109,1334 365.44,1335 514.186,1336 32340,1337 3.7,1338 22.88,1339 0.715,1340 0.556,1341 21.14,1342 17.803,1343 15.325,1344 0.438,1345 0.282,1346 9.654,1347 14.46,1348 9.366,1349 7.812,1350 14.52,1351 9.874,1352 14.312,1353 0.281,1354 0.157,1355 13.151,1356 8.005,1357 11.927,1358 0.175,1359 0.073,1360 11.135,1361 4.941,1362 9.735,1363 0.106,1364 0.034,1365 9.019,1366 3.162,1367 8.141,1368 0.066,1369 0.018,1370 7.771,1371 2.189,1372 0.317,1373 98.22,1374 0.21,1375 29.254,1376 0.599,1377 172,1378 650.666,1379 196.329,1380 571.74,1381 767.21,1382 534,1383 205,1384 556.854,1385 230.291,1386 552.665,1387 815.16,1388 516,1389 5.1}
{0 CHEMBL1995927,1 1.681,2 7.632,3 3.335,4 11.125,5 79.229,6 7.8,7 0.55,8 3.677,9 3.809,10 3.274,11 3.15,12 4.764,13 3.133,14 4.194,15 4.399,16 3.618,17 3.476,18 5.239,19 3.441,20 4.347,21 4.575,22 3.784,23 3.571,24 5.438,25 3.535,26 4.279,27 4.477,28 3.703,29 3.559,30 5.374,31 3.506,32 4.332,33 4.55,34 3.562,35 3.551,36 5.381,37 3.465,38 4.317,39 4.564,40 3.366,41 3.497,42 5.237,43 3.371,44 4.282,45 4.54,46 3.157,47 3.431,48 5.106,49 3.234,50 4.202,51 4.49,52 2.869,53 3.199,54 4.986,55 2.96,56 0.041,57 0.529,58 7.399,59 2.923,60 5.511,61 4.103,62 0.222,63 0.769,64 15.202,65 4.694,66 17.997,67 6.718,68 0.405,69 0.859,70 20.479,71 5.227,72 29.942,73 7.61,74 0.28,75 0.826,76 17.888,77 4.746,78 24.611,79 7.121,80 0.344,81 0.833,82 20.585,83 4.946,84 29.734,85 7.525,86 0.316,87 0.79,88 18.079,89 5.209,90 23.465,91 7.951,92 0.246,93 0.678,94 19.162,95 6.41,96 21.524,97 9.169,98 0.257,99 0.513,100 21.163,101 5.916,102 24.925,103 8.259,104 30,105 27,106 0.311,107 0.616,108 0.728,109 0.749,110 0.759,111 0.77,112 3.011,113 0.99,114 -4.09,115 -4.04,116 -3.82,119 36.1,120 2,124 1,125 2,142 2,144 2,146 2,147 2,175 3,178 2,180 2,183 1,187 1,188 4,191 2,192 1,196 2,199 1,200 3,205 2,212 1,213 3,218 4,228 1,230 1,233 2,241 1,243 1,246 3,250 1,258 1,264 1,272 1,276 347,277 12.972,278 12.972,279 12.972,280 12.972,281 12.972,282 11.68,283 18.446,284 7.816,285 13.563,286 9.745,287 9.745,288 9.745,289 9.745,290 9.745,291 7.64,292 26.298,293 3.455,294 10.603,295 3.489,296 1.836,297 1.23,298 1.118,299 1.063,300 1.007,301 3.668,302 1,304 1,305 1,306 1,307 293,308 2.828,312 91.997,316 78.796,319 1.23,320 16.422,322 1,323 1,324 1,325 1,326 1,327 0.5,328 1,329 1,330 0.93,331 41.333,332 145,333 4.548,334 3.314,335 6.422,336 4.049,337 3.105,338 4.479,339 0.86,340 10.045,341 2.926,342 4.088,343 3.035,344 6.067,345 3.664,346 2.746,347 3.626,348 0.4,349 8.768,350 2.511,351 3.654,352 2.463,353 5.702,354 3.207,355 2.278,356 3.064,357 0.4,358 7.438,359 2.079,360 3.291,361 2.218,362 4.819,363 2.808,364 1.887,365 2.634,367 5.454,368 1.725,369 2.781,370 2.006,371 4.32,372 2.478,373 1.567,374 1.843,376 4.044,377 1.407,378 2.277,379 1.431,380 3.627,381 2.014,382 1.097,383 1.25,385 2.354,386 1.008,387 2.128,388 1.261,389 3.138,390 1.964,391 1.063,392 1.112,394 1.755,395 0.917,396 1.755,397 0.887,398 2.934,399 1.462,400 0.572,401 0.653,403 0.998,404 0.499,405 1.309,406 0.562,407 2.752,408 0.987,409 0.096,410 0.111,412 0.158,413 0.081,414 1.075,415 -0.016,416 2.521,417 0.654,418 -0.265,419 -0.33,421 -0.558,422 -0.224,423 0.718,424 -0.214,425 2.323,426 0.397,427 -0.47,428 -0.536,430 -0.857,431 -0.377,432 0.559,433 -0.482,434 1.844,435 0.268,436 -0.686,437 -0.826,439 -1.433,440 -0.644,441 0.309,442 -0.792,443 1.644,444 -0.077,445 -1,446 -1.212,448 -2.281,449 -0.83,450 0.173,451 -0.905,452 1.428,453 -0.227,454 -1.095,455 -1.39,457 -3.009,458 -1.017,459 -0.234,460 -1.189,461 1.315,462 -0.669,463 -1.501,464 -1.814,466 -3.995,467 -1.269,468 9.148,469 0.481,470 0.397,471 0.021,472 24.25,473 1.276,474 11.5,475 0.605,476 12.75,477 0.671,478 14.591,479 0.768,480 21.452,481 0.596,482 15.568,483 0.819,484 4.73,485 0.249,486 4.459,487 0.235,488 0.242,490 0.328,496 0.895,497 1.598,498 0.654,499 1.127,500 0.835,501 1.009,502 1.082,503 1.156,504 0.653,505 0.802,506 0.801,507 0.775,508 0.959,509 0.857,510 0.774,511 0.712,512 0.88,513 0.676,514 1.074,515 1.318,516 0.966,517 1.015,518 1.101,519 0.991,520 1.163,521 1.164,522 1.258,523 1.119,524 1.234,525 1.133,526 0.857,527 0.959,528 0.89,529 0.994,530 0.93,531 1.118,532 0.55,533 1.053,534 0.919,535 1.253,536 0.724,537 1.271,538 1.072,539 0.887,540 1.209,541 1.138,542 1.091,543 1.132,544 4,546 2.222,547 1.25,548 1.409,549 0.632,550 0.505,551 0.24,552 0.115,553 0.02,554 2702,555 7819,556 1.965,557 47.2,559 9,562 2,564 6,567 1.609,568 1.81,569 2.953,570 0.445,572 1,574 1,577 60.525,578 1.681,579 3.334,580 3.94,581 4.051,582 4.107,583 4.163,584 2.458,585 3.932,586 4.213,587 3.034,588 518.837,589 7.211,590 5018.64,591 1,592 1,593 1,594 1,595 186.117,596 1.509,597 4.159,598 0.2,600 0.082,601 0.042,602 0.052,603 0.027,604 0.028,605 0.018,606 0.014,607 0.005,608 0.469,609 0.67,610 1,611 1.459,612 81.137,613 -0.079,614 -0.304,615 0.02,616 -0.114,617 -0.107,618 -0.036,619 -0.032,620 -0.05,621 0.141,622 0.139,623 0.112,624 0.163,625 0.144,626 0.222,627 0.189,628 0.211,629 0.192,630 0.245,631 -0.048,632 -0.174,633 -0.017,634 -0.062,635 -0.039,636 -0.061,637 -0.151,638 -0.048,639 -0.234,640 -0.177,641 -0.162,642 -0.211,643 -0.053,644 0.107,645 -0.119,646 -0.082,647 -0.125,648 -0.18,649 0.149,650 -0.141,651 -0.051,652 -0.231,653 0.034,654 -0.238,655 -0.074,656 -0.129,657 -0.07,658 -0.11,659 -0.087,660 -0.103,661 1.136,662 1.994,663 0.526,664 14.227,665 1.007,666 1.14,667 2.861,668 8.184,669 0.657,670 3.045,671 3.332,672 3.611,673 3.871,674 4.143,675 4.22,676 4.29,677 4.331,678 4.234,679 3.761,680 4.605,681 0.62,682 280.79,683 3.045,684 4.554,685 5.398,686 6.275,687 7.149,688 8.036,689 8.92,690 9.81,691 10.698,692 11.589,693 11.1,698 2,703 2,708 2,709 2,710 2,714 4,716 11,728 2,733 1,734 1,735 36,737 11,738 1,739 20,741 37,742 13,743 8,744 4,745 2,748 2,749 3,750 1,754 2,762 8,763 5,779 1,780 1,783 17,784 5,785 2,786 6,787 1,792 4,797 0.5,798 1,806 1,816 2,820 1,843 1,847 3,848 1,851 19,858 2,860 2,861 1,873 1,874 2.8,879 1,881 10.5,882 7.376,883 4.5,884 2.34,886 2.384,887 1.376,888 0.949,889 4.664,890 8.731,891 3.277,892 3.902,893 4.541,894 5.175,895 5.839,896 6.21,897 6.581,898 6.943,899 7.169,900 6.766,901 1,902 30,903 6.967,905 2.78,906 7.69,907 13.263,909 10.121,911 2.19,912 41.611,913 0.001,916 176.567,917 69.386,918 69.593,919 39.149,920 11,923 69.386,924 226.715,925 69.593,926 28.533,927 4.211,928 18.952,929 69.593,930 24.032,931 4.656,932 176.567,933 39.149,934 176.567,935 138.978,936 11,937 39.149,939 105.94,940 81.626,943 26.15,944 43.235,945 108.741,947 176.567,948 80.592,949 108.534,952 176.567,953 21.9,954 47.486,955 36.022,956 83.72,957 176.567,958 80.592,959 108.534,961 0.556,962 0.34,963 0.197,964 0.117,965 12,966 6,967 0.135,968 5,969 1,970 1.2,971 3.011,972 135.87,973 0.2,974 10,975 80.711,981 14.156,982 6.26,983 3.014,984 1.488,985 80.592,986 3.556,987 9.102,991 2.601,993 36.022,994 365.693,995 25.5,1007 36.243,1008 41.053,1009 0.325,1010 0.645,1011 0.762,1012 0.784,1013 0.794,1014 0.805,1015 4.486,1016 0.572,1017 5.38,1018 1.755,1019 4.007,1020 4.585,1021 1.138,1022 6.201,1023 3.846,1024 5.701,1025 0.096,1026 6.946,1027 0.998,1028 3.611,1029 4.559,1031 7.111,1032 3.358,1033 7.026,1034 -0.265,1035 8.613,1036 0.158,1037 5.602,1038 6.896,1039 0.787,1040 10.2,1041 5.309,1042 8.394,1043 -0.47,1044 10.335,1045 -0.558,1046 6.019,1047 7.67,1049 11.873,1050 5.633,1051 9.792,1052 -0.686,1053 12.091,1054 -0.857,1055 7.483,1056 9.512,1057 0.602,1058 14.47,1059 7.065,1060 11.213,1061 -1,1062 13.867,1063 -1.433,1064 8.274,1065 10.652,1067 16.469,1068 7.771,1069 12.649,1070 -1.095,1071 15.657,1072 -2.281,1073 9.525,1074 12.293,1075 0.471,1076 18.881,1077 8.985,1078 3.105,1079 -1.501,1080 17.458,1081 -3.009,1082 10.491,1083 13.613,1085 21.03,1086 9.876,1087 2.746,1088 10.045,1089 19.265,1090 -3.995,1091 11.656,1092 15.168,1093 0.367,1094 23.369,1095 10.998,1096 2.278,1097 8.768,1098 21.079,1099 4.479,1100 12.704,1101 16.577,1103 25.591,1104 11.977,1105 1.887,1106 7.438,1107 22.897,1108 3.626,1109 13.836,1110 18.096,1111 0.283,1112 27.9,1113 13.062,1114 1.567,1115 5.454,1116 24.719,1117 3.064,1118 14.922,1119 19.549,1121 30.158,1122 14.084,1123 1.097,1124 4.044,1125 26.544,1126 2.634,1127 16.044,1128 21.054,1129 0.217,1130 32.457,1131 15.155,1132 1.063,1133 2.354,1134 28.372,1135 1.843,1136 17.148,1137 22.529,1139 34.734,1140 16.2,1141 2866,1142 5011,1143 12.83,1144 23.665,1145 28.713,1146 29.963,1147 30.962,1148 28.886,1149 28.823,1150 37.541,1151 3.32,1152 82.026,1153 26.303,1154 5.301,1155 5.314,1156 6.192,1157 5.12,1158 5.105,1159 7.479,1160 1.72,1161 16.871,1162 4.926,1163 10.626,1164 1.436,1165 1.498,1166 1.548,1167 1.444,1168 1.441,1169 1.877,1170 0.166,1171 4.101,1172 1.315,1173 4.062,1174 4.095,1175 4.107,1176 3.954,1177 5.12,1178 3.969,1179 3.65,1180 3.709,1181 3.712,1182 3.472,1183 4.79,1184 3.485,1185 3.505,1186 3.601,1187 3.327,1188 3.297,1189 4.501,1190 3.284,1191 3.359,1192 3.419,1193 3.308,1194 3.159,1195 4.263,1196 3.156,1197 3.157,1198 3.232,1199 3.134,1200 2.926,1201 4.235,1202 2.926,1203 2.94,1204 3.01,1205 2.885,1206 2.785,1207 3.981,1208 2.779,1209 2.738,1210 2.823,1211 2.762,1212 2.58,1213 3.814,1214 2.569,1215 2.665,1216 2.79,1217 2.415,1218 2.333,1219 3.435,1220 2.335,1221 0.227,1222 0.166,1223 0.321,1224 0.202,1225 0.155,1226 4.548,1227 0.224,1228 3.314,1229 0.043,1230 6.422,1231 0.502,1232 4.049,1233 0.146,1234 3.105,1235 4.479,1236 0.86,1237 10.045,1238 2.926,1239 1.984,1240 1.96,1241 2.025,1242 2.116,1243 1.14,1244 2.094,1245 1.6,1246 1.536,1247 1.842,1248 1.813,1249 0.997,1250 1.825,1251 1.506,1252 1.415,1253 1.826,1254 1.752,1255 0.979,1256 1.781,1257 1.302,1258 1.244,1259 1.585,1260 1.569,1261 0.587,1262 1.574,1263 1.136,1264 1.058,1265 1.391,1266 1.377,1267 0.476,1268 1.403,1269 0.907,1270 0.849,1271 1.137,1272 1.127,1273 0.194,1274 1.136,1275 0.687,1276 0.627,1277 1.078,1278 0.997,1279 0.159,1280 1.033,1281 0.642,1282 0.503,1283 0.981,1284 0.942,1285 0.107,1286 0.966,1287 3.714,1289 5.004,1291 6.518,1293 8.145,1295 9.831,1297 5.616,1298 6.105,1303 1.561,1305 6.386,1306 5.195,1314 22.316,1315 60.525,1316 120.012,1317 141.853,1318 145.853,1319 147.853,1320 149.853,1321 26.201,1322 6.347,1323 59.07,1324 59.07,1325 12,1326 12.118,1327 3.585,1328 2.7,1329 33.428,1330 55,1331 48,1332 0.336,1333 145.553,1334 241.74,1335 346.91,1336 3627,1337 2.8,1338 13.828,1339 0.728,1340 0.632,1341 14.328,1342 12.005,1343 9.189,1344 0.459,1345 0.33,1346 6.14,1347 8.475,1348 5.892,1349 4.974,1350 9.478,1351 6.6,1352 7.706,1353 0.285,1354 0.162,1355 8.077,1356 4.364,1357 6.472,1358 0.18,1359 0.081,1360 6.826,1361 2.922,1362 5.434,1363 0.116,1364 0.043,1365 5.771,1366 2.031,1367 4.481,1368 0.072,1369 0.022,1370 4.712,1371 1.334,1372 0.502,1373 61.152,1374 0.279,1375 18.626,1376 0.992,1377 94,1378 293.895,1379 120.058,1380 311.04,1381 420.94,1382 292,1383 110,1384 292.422,1385 133.481,1386 304.513,1387 448.3,1388 286,1389 5.1}
{0 CHEMBL1996048,1 1.484,2 9.043,3 2.401,4 5.767,5 93.924,6 7.173,7 0.64,8 3.851,9 3.993,10 3.371,11 3.4,12 4.989,13 3.372,14 4.333,15 4.509,16 3.72,17 3.793,18 5.447,19 3.738,20 4.574,21 4.782,22 3.781,23 3.913,24 5.629,25 3.836,26 4.644,27 4.87,28 3.761,29 3.912,30 5.706,31 3.82,32 4.634,33 4.88,34 3.641,35 3.848,36 5.635,37 3.742,38 4.498,39 4.732,40 3.571,41 3.76,42 5.52,43 3.653,44 4.471,45 4.7,46 3.499,47 3.691,48 5.567,49 3.592,50 4.492,51 4.756,52 3.245,53 3.564,54 5.536,55 3.422,56 0.063,57 0.652,58 9.238,59 3.577,60 11.215,61 4.992,62 0.126,63 0.997,64 15.677,65 6.27,66 23.938,67 8.849,68 0.174,69 1.203,70 20.931,71 7.811,72 28.919,73 11.109,74 0.272,75 1.259,76 23.006,77 8.165,78 35.1,79 11.817,80 0.2,81 1.189,82 23.315,83 8.156,84 32.637,85 11.861,86 0.201,87 1.068,88 19.919,89 7.382,90 27.578,91 10.705,92 0.199,93 1.044,94 19.458,95 6.499,96 31.757,97 9.471,98 0.227,99 0.957,100 20.981,101 6.871,102 45.105,103 9.998,104 23,105 35,106 0.258,107 0.626,108 0.768,109 0.848,110 0.859,111 0.859,112 3.189,113 0.908,114 -3.35,115 -3.34,116 -3.19,119 41.9,120 1,125 2,142 7,143 4,144 1,152 2,158 1,163 2,164 2,165 2,172 10,175 1,177 1,178 1,180 7,183 12,185 1,188 1,192 1,193 6,195 1,196 11,198 1,200 2,203 1,204 2,205 6,207 1,208 7,210 2,213 1,218 5,221 7,223 3,225 1,228 1,229 1,230 6,232 1,233 8,235 3,238 2,242 1,243 5,245 1,246 6,248 3,250 2,255 4,258 3,260 3,264 1,266 1,267 1,268 1,269 4,271 2,272 2,274 3,275 1,276 695,277 15.508,278 15.508,279 15.508,280 15.508,281 15.508,282 13.528,283 12.692,284 9.224,285 15.618,286 12.303,287 12.303,288 12.303,289 12.303,290 12.303,291 9.243,292 15.59,293 4.33,294 12.5,295 3.942,296 1.825,297 1.004,298 0.547,299 0.483,300 0.483,301 3.868,304 1,305 1,306 1,307 437,308 3.082,311 44.464,312 128.007,315 88.626,319 1.27,320 19.337,321 1,322 1,323 0.75,324 0.83,325 0.83,326 0.5,327 0.5,328 0.83,329 1,330 0.75,331 49,332 208,333 4.687,334 3.555,335 6.822,336 4.232,337 3.248,338 4.651,339 0.98,340 11.307,341 3.195,342 4.148,343 3.132,344 6.118,345 3.77,346 2.775,347 3.756,348 0.4,349 8.932,350 2.76,351 3.881,352 2.775,353 5.931,354 3.513,355 2.517,356 3.315,358 8.163,359 2.502,360 3.67,361 2.46,362 5.098,363 3.281,364 2.294,365 3.098,367 6.158,368 2.263,369 3.293,370 2.232,371 4.969,372 2.883,373 1.905,374 2.576,376 5.494,377 1.856,378 2.888,379 1.749,380 4.251,381 2.408,382 1.443,383 1.971,385 3.61,386 1.394,387 2.645,388 1.6,389 4.09,390 2.367,391 1.359,392 1.711,394 3.243,395 1.354,396 2.526,397 1.201,398 3.618,399 2.15,400 1.165,401 1.528,403 2.789,404 1.146,405 2.5,406 1,407 3.414,408 2,409 1,410 1.5,412 2.275,413 1,414 2.084,415 0.853,416 3.303,417 1.655,418 0.704,419 0.927,421 1.73,422 0.667,423 1.492,424 0.544,425 2.746,426 1.202,427 0.253,428 0.299,430 0.478,431 0.238,432 1.136,433 0.168,434 2.531,435 0.822,436 -0.168,437 -0.208,439 -0.36,440 -0.166,441 0.941,442 0.037,443 2.365,444 0.616,445 -0.354,446 -0.43,448 -0.734,449 -0.342,450 0.5,451 -0.212,452 2.189,453 0.047,454 -1,455 -1.187,457 -2,458 -0.981,459 0.5,460 -0.913,461 2,463 -1,464 -1.336,466 -2.187,467 -1,468 10.933,469 0.475,470 0.575,471 0.025,472 30.25,473 1.315,474 16,475 0.696,476 14.25,477 0.62,478 16.87,479 0.733,480 24.467,481 0.569,482 22.132,483 0.962,484 6.193,485 0.269,486 4.903,487 0.213,488 0.149,490 0.366,496 1.003,497 1.045,498 0.887,499 0.869,500 0.884,501 0.848,502 0.663,503 1.095,504 0.821,505 0.984,506 0.512,507 0.928,508 0.938,509 1.087,510 0.946,511 1.028,512 0.835,513 0.996,514 0.863,515 1.025,516 0.99,517 1.039,518 0.8,519 1.029,520 1.042,521 1.022,522 0.972,523 0.998,524 0.983,525 0.979,526 0.688,527 1.083,528 0.935,529 1.078,530 0.704,531 1.047,532 1.192,533 1.117,534 1.17,535 1.137,536 1.061,537 1.141,538 1.389,539 1.033,540 1.157,541 1.08,542 1.548,543 1.094,544 4.5,545 0.037,546 2.889,547 1.347,548 1.437,549 1.16,550 0.537,551 0.372,552 0.236,553 0.142,554 5032,555 12782,556 2.041,557 46.5,558 3,559 11,562 6,567 1.663,568 1.89,569 3.139,570 3.537,571 1,572 1,574 1,577 63.832,578 1.484,579 3.602,580 4.423,581 4.88,582 4.944,583 4.944,584 2.616,585 4.176,586 4.487,587 3.266,588 826.402,589 7.763,590 9214.61,592 1,594 1,595 233.329,596 1.478,597 4.443,598 0.18,599 0.006,600 0.083,601 0.037,602 0.042,603 0.039,604 0.019,605 0.015,606 0.013,607 0.011,608 0.445,609 0.17,610 1,611 1.335,612 106.066,613 -0.173,614 0.172,615 -0.005,616 0.159,617 -0.18,618 0.115,619 0.085,620 0.012,621 0.077,622 0.057,623 0.127,624 0.066,625 -0.037,626 -0.041,627 -0.009,628 -0.02,629 -0.026,630 -0.014,631 0.085,632 0.008,633 -0.033,634 -0.058,635 0.01,636 -0.061,637 -0.075,638 -0.049,639 0.001,640 -0.014,641 -0.038,642 0.003,643 0.131,644 -0.089,645 0.014,646 -0.076,647 0.072,648 -0.054,649 -0.121,650 -0.078,651 -0.2,652 -0.182,653 -0.064,654 -0.195,655 -0.163,656 -0.115,657 -0.145,658 -0.124,659 -0.148,660 -0.131,661 2.113,662 4.692,663 0.652,664 19.917,665 0.995,666 1.128,667 2.121,668 4.5,669 0.664,670 3.258,671 3.584,672 3.871,673 4.159,674 4.431,675 4.605,676 4.71,677 4.796,678 4.86,679 4.812,680 5.337,681 0.628,682 308.42,683 3.258,684 4.796,685 5.652,686 6.541,687 7.428,688 8.33,689 9.23,690 10.138,691 11.044,692 11.956,693 9.3,694 1,698 1,700 1,701 1,708 2,709 7,711 1,714 5,716 16,722 1,728 1,735 43,737 17,738 2,739 25,741 45,742 18,743 14,744 6,745 6,746 1,748 3,749 4,754 2,762 15,763 3,767 1,772 1,776 1,779 1,780 1,783 20,784 4,785 6,786 5,792 4,797 0.667,798 1,811 1,815 1,816 2,819 1,836 1,843 2,847 1,851 23,852 2,858 2,860 1,874 2.3,877 1,881 12.167,882 7.667,883 5.139,884 2.417,886 3.219,887 1.456,888 1.025,889 4.368,890 10.281,891 3.555,892 4.201,893 4.857,894 5.52,895 6.119,896 6.57,897 7.017,898 7.448,899 7.8,900 8.107,901 1,902 36,903 8.464,905 3.568,906 7.775,907 16.129,909 13.171,911 2.275,912 52.333,915 1,916 164.795,917 103.862,918 100.591,920 25.145,923 103.862,924 189.94,925 100.591,926 8.825,927 70.006,928 66.334,929 47.86,930 31.672,931 4.901,932 164.795,934 164.795,935 204.453,936 25.145,939 164.795,940 25.145,943 95.617,944 90.826,945 18.011,947 164.795,948 125.736,949 103.862,952 164.795,953 28.703,954 75.159,955 34.796,956 90.939,957 164.795,958 125.736,959 103.862,961 0.576,962 0.334,963 0.181,964 0.11,965 17,966 8,967 0.111,968 5,969 1,970 1.133,971 3.436,972 185.988,973 0.133,974 15,975 98.042,981 15.591,982 6.443,983 3.089,984 1.681,985 108.95,986 13.857,988 3.326,991 4.631,993 100.591,994 394.393,995 34,1000 11.692,1004 -0.447,1007 42.803,1008 48.524,1009 0.274,1010 0.664,1011 0.815,1012 0.899,1013 0.911,1014 0.911,1015 4.779,1016 1.165,1017 5.645,1018 3.243,1019 4.263,1020 4.887,1021 1.176,1022 6.482,1023 4.234,1024 6.009,1025 1,1026 7.22,1027 2.789,1028 3.892,1029 4.796,1031 7.448,1032 3.865,1033 7.334,1034 0.704,1035 8.898,1036 2.275,1037 5.872,1038 7.182,1039 1.063,1040 10.568,1041 5.819,1042 8.7,1043 0.253,1044 10.637,1045 1.73,1046 6.33,1047 7.946,1049 12.376,1050 6.272,1051 10.1,1052 -0.168,1053 12.414,1054 0.478,1055 7.79,1056 9.809,1057 1.022,1058 15.021,1059 7.712,1060 11.526,1061 -0.354,1062 14.218,1063 -0.36,1064 8.623,1065 10.972,1067 17.173,1068 8.534,1069 12.97,1070 -1,1071 16.042,1072 -0.734,1073 9.886,1074 12.629,1075 0.993,1076 19.662,1077 9.779,1078 3.248,1079 -1,1080 17.881,1081 -2,1082 10.894,1083 13.986,1085 21.963,1086 10.772,1087 2.775,1088 11.307,1089 19.731,1090 -2.187,1091 12.084,1092 15.561,1093 0.967,1094 24.401,1095 11.945,1096 2.517,1097 8.932,1098 21.591,1099 4.651,1100 13.174,1101 17.011,1103 26.767,1104 13.017,1105 2.294,1106 8.163,1107 23.458,1108 3.756,1109 14.341,1110 18.556,1111 0.942,1112 29.19,1113 14.167,1114 1.905,1115 6.158,1116 25.332,1117 3.315,1118 15.471,1119 20.05,1121 31.586,1122 15.278,1123 1.443,1124 5.494,1125 27.211,1126 3.098,1127 16.632,1128 21.585,1129 0.917,1130 34.005,1131 16.422,1132 1.359,1133 3.61,1134 29.095,1135 2.576,1136 17.782,1137 23.1,1139 36.416,1140 17.554,1141 5046,1142 8133,1143 16.414,1144 28.569,1145 37.708,1146 38.084,1147 39.23,1148 37.272,1149 37.323,1150 50.663,1151 2.76,1152 108.356,1153 36.75,1154 5.48,1155 5.555,1156 6.684,1157 5.246,1158 5.248,1159 7.651,1160 1.96,1161 18.636,1162 5.195,1163 12.194,1164 1.508,1165 1.523,1166 1.569,1167 1.491,1168 1.493,1169 2.027,1170 0.11,1171 4.334,1172 1.47,1173 4.163,1174 4.193,1175 4.132,1176 4.082,1177 7.437,1178 4.091,1179 3.878,1180 3.908,1181 3.815,1182 3.825,1183 5.025,1184 3.819,1185 3.59,1186 3.681,1187 3.444,1188 3.374,1189 4.973,1190 3.378,1191 3.479,1192 3.523,1193 3.415,1194 3.323,1195 4.858,1196 3.333,1197 3.288,1198 3.358,1199 3.174,1200 3.064,1201 4.683,1202 3.087,1203 3.09,1204 3.179,1205 2.899,1206 2.936,1207 4.295,1208 2.918,1209 2.915,1210 3.038,1211 2.744,1212 2.735,1213 3.974,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.579,1219 3.8,1220 2.611,1221 0.187,1222 0.142,1223 0.273,1224 0.169,1225 0.13,1226 4.687,1227 0.186,1228 3.555,1229 0.039,1230 6.822,1231 0.452,1232 4.232,1233 0.128,1234 3.248,1235 4.651,1236 0.98,1237 11.307,1238 3.195,1239 1.956,1240 1.936,1241 2.051,1242 2.056,1243 1.2,1244 2.047,1245 1.937,1246 1.91,1247 2.022,1248 2.013,1249 1.159,1250 2.027,1251 1.547,1252 1.476,1253 1.798,1254 1.801,1255 0.998,1256 1.805,1257 1.458,1258 1.399,1259 1.64,1260 1.636,1261 0.747,1262 1.641,1263 1.197,1264 1.145,1265 1.438,1266 1.524,1267 0.48,1268 1.489,1269 1.042,1270 0.964,1271 1.328,1272 1.324,1273 0.299,1274 1.352,1275 1.019,1276 0.951,1277 1.226,1278 1.221,1279 0.218,1280 1.232,1281 0.886,1282 0.821,1283 1.193,1284 1.171,1285 0.218,1286 1.195,1287 3.932,1289 5.252,1290 2.398,1291 6.772,1292 4.727,1293 8.389,1294 6.88,1295 10.061,1297 2.051,1301 11.063,1303 1.199,1305 3.28,1314 27.015,1315 63.832,1316 154.865,1317 190.168,1318 209.82,1319 212.574,1320 212.574,1321 36.244,1322 7.062,1323 96.93,1324 96.93,1325 17,1326 12.471,1327 4.17,1328 3.322,1329 36.586,1330 73,1331 81,1332 0.257,1333 169.007,1334 281.85,1335 404.136,1336 9464,1338 16.397,1339 0.713,1340 0.566,1341 16.397,1342 13.019,1343 11.097,1344 0.444,1345 0.303,1346 7.49,1347 10.811,1348 7.282,1349 6.086,1350 11.097,1351 7.564,1352 9.967,1353 0.285,1354 0.159,1355 9.967,1356 5.578,1357 8.238,1358 0.175,1359 0.083,1360 8.238,1361 3.882,1362 6.809,1363 0.108,1364 0.042,1365 6.809,1366 2.674,1367 5.666,1368 0.068,1369 0.023,1370 5.666,1371 1.892,1372 0.389,1373 68.661,1374 0.247,1375 22.217,1376 0.747,1377 120,1378 305.026,1379 127.71,1380 306.638,1381 424.77,1382 286,1383 142,1384 317.848,1385 149.351,1386 327.5,1387 478.81,1388 309,1389 6.6}
{0 CHEMBL1996066,1 1.583,2 9.217,3 3.746,4 14.033,5 90.944,6 9.335,7 0.808,8 3.67,9 3.771,10 3.49,11 3.361,12 4.93,13 3.331,14 4.109,15 4.227,16 3.878,17 3.729,18 5.31,19 3.688,20 4.285,21 4.456,22 3.855,23 3.778,24 5.452,25 3.719,26 4.307,27 4.484,28 3.941,29 3.777,30 5.525,31 3.69,32 4.208,33 4.383,34 3.773,35 3.684,36 5.412,37 3.579,38 4.078,39 4.271,40 3.547,41 3.522,42 5.267,43 3.407,44 3.883,45 4.069,46 3.355,47 3.336,48 5.187,49 3.265,50 3.837,51 4.026,52 3.104,53 3.25,54 5.071,55 3.179,56 0.035,57 0.525,58 4.296,59 2.472,60 9.308,61 2.545,62 0.141,63 0.86,64 8.975,65 4.251,66 8.94,67 4.676,68 0.12,69 0.987,70 11.182,71 5.198,72 16.338,73 5.652,74 0.195,75 1.07,76 13.463,77 5.625,78 26.189,79 5.819,80 0.18,81 0.979,82 17.267,83 6.213,84 23.124,85 5.605,86 0.152,87 0.826,88 14.075,89 5.361,90 23.284,91 5.402,92 0.134,93 0.665,94 10.646,95 4.09,96 23.838,97 4.596,98 0.09,99 0.6,100 6.418,101 3.105,102 19.374,103 3.6,104 6,105 37,106 0.281,107 0.608,108 0.733,109 0.837,110 0.851,111 0.851,112 3.189,113 0.904,114 -4.46,115 -4.39,116 -4.14,119 50,142 8,143 2,146 2,151 1,152 1,158 1,162 2,163 1,164 1,165 1,172 9,174 2,175 6,177 2,178 2,183 8,188 8,196 5,199 1,200 8,202 1,203 1,205 3,208 3,210 3,212 1,213 5,218 2,221 4,223 2,224 1,225 4,230 1,233 3,235 1,237 1,238 4,240 1,241 1,243 2,246 4,248 2,250 2,255 2,258 7,260 2,264 2,269 1,272 7,274 1,276 699,277 15.955,278 15.955,279 15.955,280 15.955,281 15.955,282 13.462,283 10.767,284 9.35,285 16.389,286 12.797,287 12.797,288 12.797,289 12.797,290 12.797,291 8.971,292 8.38,293 4.382,294 13.561,295 3.504,296 1.663,297 0.963,298 0.375,299 0.294,300 0.294,301 3.888,304 1,305 1,306 1,307 468,308 2.236,311 98.824,312 125.817,315 86.304,319 1.376,320 16.398,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 48.5,332 212,333 4.702,334 4.058,335 6.921,336 4.202,337 3.278,338 4.65,339 2.035,340 11.65,341 3.046,342 4.269,343 3.349,344 6.177,345 3.841,346 2.876,347 3.944,349 9.197,350 2.783,351 3.967,352 2.877,353 5.79,354 3.469,355 2.507,356 3.446,358 7.849,359 2.404,360 3.731,361 2.532,362 5.249,363 3.168,364 2.232,365 3.179,367 6.58,368 2.072,369 3.39,370 2.258,371 4.985,372 2.853,373 1.898,374 2.721,376 5.451,377 1.81,378 3.16,379 1.947,380 4.676,381 2.64,382 1.7,383 2.355,385 4.749,386 1.587,387 2.952,388 1.764,389 4.283,390 2.423,391 1.473,392 2.154,394 3.841,395 1.387,396 2.905,397 1.474,398 3.54,399 2.02,400 1.057,401 1.537,403 2.602,404 1.01,405 2.522,406 1.085,407 3.387,408 2,409 1,410 1.5,412 2.136,413 1,414 2.5,415 1,416 3.26,417 1.606,418 0.695,419 1.145,421 1.705,422 0.621,423 2.175,424 0.69,425 3.247,426 1.475,427 0.637,428 1.005,430 1.467,431 0.528,432 1.986,433 0.569,434 2.866,435 1.284,436 0.353,437 0.599,439 0.641,440 0.327,441 1.075,442 0.102,443 2.523,444 0.592,445 -0.338,446 -0.451,448 -0.773,449 -0.313,450 0.745,451 -0.4,452 2.379,453 0.297,454 -0.68,455 -0.924,457 -1.563,458 -0.653,459 0.644,460 -0.669,461 2.226,462 0.135,463 -0.824,464 -1.199,466 -2.005,467 -0.783,468 11.333,469 0.493,470 0.5,471 0.022,472 36.75,473 1.598,474 21.5,475 0.935,476 15.25,477 0.663,478 13.938,479 0.606,480 21.667,481 0.637,482 23.727,483 1.032,484 7.028,485 0.306,486 4.23,487 0.184,488 0.071,490 0.344,496 0.968,497 1.028,498 0.67,499 0.736,500 0.718,501 0.692,502 0.473,503 0.99,504 0.819,505 1.024,506 0.42,507 0.886,508 1.161,509 1.095,510 0.799,511 0.847,512 0.691,513 0.9,514 1.106,515 1.096,516 1.01,517 1.023,518 1.007,519 0.978,520 1.409,521 1.136,522 1.677,523 1.336,524 1.092,525 1.039,526 1.184,527 1.027,528 1.414,529 1.201,530 0.91,531 1.063,532 0.749,533 0.93,534 1.041,535 1.072,536 0.638,537 0.959,538 1.193,539 0.989,540 0.851,541 0.911,542 1.53,543 1.179,544 4,545 0.033,546 2.444,547 1.792,548 1.059,549 0.841,550 0.456,551 0.235,552 0.156,553 0.082,554 5658,555 16682,556 2.168,557 32.4,559 8,560 1,562 2,567 1.659,568 2.06,569 3.187,570 0.321,572 1,574 1,577 53.823,578 1.583,579 3.425,580 4.124,581 4.712,582 4.793,583 4.793,584 2.682,585 3.882,586 4.494,587 3.301,588 835.127,589 7.748,590 9212.37,591 1,592 1,593 1,594 1,595 172.974,596 1.302,597 4.469,598 0.154,599 0.004,600 0.066,601 0.05,602 0.031,603 0.028,604 0.019,605 0.011,606 0.009,607 0.006,608 0.378,609 0.33,610 1,611 0.7,612 106.213,613 -0.139,614 -0.043,615 0.038,616 0.068,617 -0.099,618 0.056,619 0.403,620 0.001,621 0.027,622 -0.139,623 0.059,624 -0.08,625 -0.161,626 -0.111,627 0.028,628 0.023,629 -0.02,630 -0.006,631 0.018,632 -0.054,633 0.079,634 0.001,635 -0.045,636 -0.051,637 -0.239,638 -0.045,639 -0.271,640 -0.114,641 -0.129,642 -0.072,643 -0.131,644 -0.008,645 -0.161,646 -0.058,647 0.05,648 -0.05,649 0.195,650 0.033,651 -0.038,652 -0.078,653 0.387,654 0.028,655 -0.28,656 -0.068,657 -0.233,658 -0.16,659 -0.273,660 -0.265,661 1.302,662 3.094,663 0.87,664 17.887,665 1.007,666 1.108,667 3.234,668 10.46,669 0.764,670 3.296,671 3.638,672 3.97,673 4.29,674 4.5,675 4.625,676 4.787,677 4.883,678 4.913,679 4.949,680 5.396,681 0.732,682 317.4,683 3.296,684 4.844,685 5.72,686 6.619,687 7.515,688 8.422,689 9.327,690 10.238,691 11.147,692 12.062,693 14.7,697 1,701 1,702 1,703 2,708 2,709 9,710 2,713 1,714 5,715 1,716 21,718 1,727 1,735 34,737 22,738 2,739 26,741 37,742 17,743 16,744 4,745 8,748 4,749 5,761 1,762 16,780 1,783 11,784 4,785 2,786 6,787 1,789 1,792 5,797 0.75,815 2,816 2,819 1,843 3,845 1,851 23,852 1,866 1,868 1,870 1,872 1,881 11.167,882 6.3,883 5.056,884 1.907,886 4.216,887 1.57,888 1.064,889 3.326,890 11.611,891 3.676,892 4.331,893 5.032,894 5.708,895 6.252,896 6.701,897 7.217,898 7.649,899 7.969,900 8.35,901 1,902 36,903 8.408,905 3.623,906 7.761,907 15.927,909 13.196,911 2.261,912 52,916 105.94,917 147.154,918 99.427,922 31.278,923 115.877,924 105.94,925 99.427,928 116.356,929 50.173,930 46.63,931 13.915,932 125.447,934 105.94,935 215.304,937 31.278,939 105.94,943 40.259,944 141.473,945 33.571,946 31.278,947 105.94,948 99.427,949 147.154,952 105.94,953 47.094,954 85.358,955 16.602,956 97.528,957 105.94,958 99.427,959 147.154,961 0.58,962 0.353,963 0.201,964 0.109,965 20,966 8,967 0.054,968 2,969 1,970 1.1,971 3.548,972 193.855,973 0.1,974 20,975 100.042,977 1,981 13.927,982 5.493,983 2.376,984 1.536,985 97.528,986 17.268,987 9.013,990 1.494,991 3.612,992 1.785,993 32.897,994 352.521,995 38.5,1007 34.236,1008 37.657,1009 0.311,1010 0.673,1011 0.811,1012 0.926,1013 0.942,1014 0.942,1015 4.907,1016 1.057,1017 5.707,1018 3.841,1019 4.317,1020 5.017,1021 2.228,1022 6.555,1023 4.206,1024 6.15,1025 1,1026 7.283,1027 2.602,1028 3.892,1029 4.808,1031 7.519,1032 3.722,1033 7.474,1034 0.695,1035 8.96,1036 2.136,1037 5.938,1038 7.322,1039 3.563,1040 10.664,1041 5.718,1042 8.839,1043 0.637,1044 10.7,1045 1.705,1046 6.382,1047 8.019,1049 12.505,1050 6.081,1051 10.236,1052 0.353,1053 12.48,1054 1.467,1055 7.871,1056 9.931,1057 4.962,1058 15.164,1059 7.532,1060 11.659,1061 -0.338,1062 14.289,1063 0.641,1064 8.71,1065 11.059,1067 17.364,1068 8.282,1069 13.103,1070 -0.68,1071 16.12,1072 -0.773,1073 9.988,1074 12.73,1075 6.378,1076 19.871,1077 9.515,1078 3.278,1079 -0.824,1080 17.967,1081 -1.563,1082 11.009,1083 14.068,1085 22.217,1086 10.448,1087 2.876,1088 11.65,1089 19.828,1090 -2.005,1091 12.209,1092 15.643,1093 7.797,1094 24.679,1095 11.593,1096 2.507,1097 9.197,1098 21.7,1099 4.65,1100 13.312,1101 17.081,1103 27.086,1104 12.61,1105 2.232,1106 7.849,1107 23.58,1108 3.944,1109 14.488,1110 18.62,1111 9.217,1112 29.536,1113 13.721,1114 1.898,1115 6.58,1116 25.468,1117 3.446,1118 15.628,1119 20.106,1121 31.968,1122 14.78,1123 1.7,1124 5.451,1125 27.363,1126 3.179,1127 16.798,1128 21.635,1129 10.638,1130 34.417,1131 15.879,1132 1.473,1133 4.749,1134 29.262,1135 2.721,1136 17.956,1137 23.143,1139 36.86,1140 16.957,1141 5348,1142 9317,1143 17.8,1144 25.96,1145 40.98,1146 42.084,1147 40.454,1148 39.346,1149 39.413,1150 56.472,1151 4.069,1152 115.738,1153 37.15,1154 5.392,1155 6.058,1156 6.722,1157 5.34,1158 5.278,1159 7.65,1160 4.069,1161 18.856,1162 5.046,1163 8.413,1164 1.576,1165 1.619,1166 1.556,1167 1.513,1168 1.516,1169 2.172,1170 0.157,1171 4.451,1172 1.429,1173 4.14,1174 4.178,1175 4.286,1176 4.04,1177 6.82,1178 4.042,1179 3.933,1180 3.958,1181 3.995,1182 3.888,1183 5.226,1184 3.875,1185 3.66,1186 3.687,1187 3.765,1188 3.644,1189 4.876,1190 3.583,1191 3.445,1192 3.496,1193 3.446,1194 3.288,1195 4.717,1196 3.31,1197 3.062,1198 3.134,1199 2.992,1200 2.893,1201 4.595,1202 2.906,1203 2.874,1204 2.967,1205 2.842,1206 2.735,1207 4.046,1208 2.715,1209 2.854,1210 2.925,1211 2.73,1212 2.729,1213 3.768,1214 2.688,1215 2.758,1216 2.807,1217 2.687,1218 2.627,1219 3.674,1220 2.64,1221 0.181,1222 0.156,1223 0.266,1224 0.162,1225 0.126,1226 4.702,1227 0.179,1228 4.058,1229 0.078,1230 6.921,1231 0.448,1232 4.202,1233 0.117,1234 3.278,1235 4.65,1236 2.035,1237 11.65,1238 3.046,1239 1.933,1240 1.91,1241 2.021,1242 2.02,1243 1.128,1244 2.016,1245 1.905,1246 1.88,1247 1.997,1248 1.978,1249 1.095,1250 1.993,1251 1.501,1252 1.456,1253 1.545,1254 1.755,1255 0.632,1256 1.713,1257 1.312,1258 1.287,1259 1.389,1260 1.418,1261 0.512,1262 1.428,1263 1.184,1264 1.144,1265 1.198,1266 1.344,1267 0.218,1268 1.33,1269 0.942,1270 0.903,1271 1.181,1272 1.172,1273 0.189,1274 1.186,1275 0.886,1276 0.821,1277 1.141,1278 1.062,1279 0.11,1280 1.107,1281 0.822,1282 0.756,1283 0.965,1284 0.957,1285 0.042,1286 1.012,1287 3.97,1289 5.303,1290 3.045,1291 6.834,1292 5.416,1293 8.453,1294 7.535,1295 10.12,1301 6.06,1312 9.094,1313 2.139,1314 24.875,1315 53.823,1316 116.444,1317 140.219,1318 160.219,1319 162.974,1320 162.974,1321 27.111,1322 7.394,1323 80.52,1324 108.76,1325 22,1326 12.575,1327 4.524,1328 3.755,1329 31.8,1330 73,1331 75,1332 0.216,1333 157.168,1334 254.09,1335 375.249,1336 15452,1338 15.811,1339 0.687,1340 0.556,1341 16.165,1342 12.787,1343 11.258,1344 0.433,1345 0.301,1346 6.962,1347 10.533,1348 6.741,1349 5.59,1350 11.712,1351 7.834,1352 10.033,1353 0.271,1354 0.158,1355 10.584,1356 5.839,1357 8.935,1358 0.172,1359 0.084,1360 9.608,1361 4.388,1362 7.801,1363 0.108,1364 0.046,1365 8.657,1366 3.327,1367 6.165,1368 0.069,1369 0.024,1370 6.859,1371 2.171,1372 0.33,1373 74.05,1374 0.237,1375 22.277,1376 0.616,1377 126,1378 352.753,1379 158.526,1380 378.632,1381 529.99,1382 354,1383 152,1384 391.513,1385 182.008,1386 415.428,1387 610.25,1388 391,1389 5.1}
{0 CHEMBL1996111,1 1.567,2 9.154,3 2.892,4 8.364,5 102.149,6 7.873,7 0.724,8 3.907,9 4.036,10 3.534,11 3.445,12 5.078,13 3.44,14 4.4,15 4.579,16 3.877,17 3.826,18 5.488,19 3.811,20 4.559,21 4.735,22 3.903,23 3.929,24 5.682,25 3.879,26 4.723,27 4.954,28 3.912,29 3.874,30 5.879,31 3.836,32 4.554,33 4.763,34 3.893,35 3.819,36 5.693,37 3.812,38 4.62,39 4.82,40 3.876,41 3.882,42 5.794,43 3.85,44 4.638,45 4.861,46 3.795,47 3.875,48 5.748,49 3.805,50 4.6,51 4.827,52 3.578,53 3.835,54 5.668,55 3.71,56 0.096,57 0.724,58 8.079,59 3.584,60 8.417,61 4.625,62 0.222,63 1.115,64 15.293,65 5.489,66 13.683,67 7.479,68 0.167,69 1.244,70 17.78,71 7.263,72 19.402,73 9.775,74 0.484,75 1.342,76 25.023,77 7.594,78 63.391,79 10.546,80 0.288,81 1.236,82 19.467,83 5.579,84 30.088,85 7.717,86 0.347,87 1.305,88 20.275,89 6.214,90 39.881,91 8.296,92 0.337,93 1.241,94 22.074,95 7.911,96 39.237,97 10.724,98 0.346,99 1.145,100 21.357,101 8.358,102 43.357,103 11.461,104 12,105 41,106 0.267,107 0.626,108 0.735,109 0.813,110 0.823,111 0.823,112 3.305,113 0.854,114 -3.68,115 -3.65,116 -3.47,119 43.2,124 2,125 1,142 8,143 3,145 1,146 1,152 2,158 1,166 2,168 1,172 10,174 2,175 3,180 2,183 10,187 2,188 9,193 2,196 5,199 4,200 15,205 1,213 15,221 1,224 1,225 11,228 1,233 4,237 2,238 5,241 2,246 8,249 2,250 2,253 2,258 9,264 1,269 1,272 6,276 1072,277 17.706,278 17.706,279 17.706,280 17.706,281 17.706,282 15.192,283 13.355,284 10.422,285 17.95,286 14.317,287 14.317,288 14.317,289 14.317,290 14.317,291 10.494,292 19.165,293 4.942,294 14.675,295 3.893,296 1.785,297 1.142,298 0.688,299 0.625,300 0.625,301 4.001,304 1,305 1,306 1,307 523,308 3.24,311 131.326,312 148.752,315 103.533,319 1.485,320 19.74,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 56,332 238,333 4.613,334 3.722,335 6.936,336 4.233,337 3.26,338 4.428,339 1.2,340 11.656,341 3.171,342 4.386,343 3.056,344 6.218,345 3.898,346 2.916,347 4.191,348 0.522,349 9.304,350 2.86,351 3.911,352 2.904,353 5.871,354 3.539,355 2.551,356 3.451,357 0.293,358 7.967,359 2.523,360 3.778,361 2.665,362 5.587,363 3.453,364 2.482,365 3.129,367 7.363,368 2.405,369 3.507,370 2.22,371 5.212,372 3.106,373 2.139,374 2.784,376 6.198,377 2.061,378 3.034,379 1.97,380 4.525,381 2.519,382 1.535,383 2.301,385 4.325,386 1.509,387 2.943,388 1.59,389 4.349,390 2.508,391 1.525,392 2.122,394 3.984,395 1.497,396 2.752,397 1.534,398 4.025,399 2.278,400 1.298,401 1.864,403 3.079,404 1.269,405 2.541,406 1.332,407 3.586,408 2.199,409 1.236,410 1.545,412 2.979,413 1.184,414 2.512,415 1.043,416 3.435,417 2,418 1.025,419 1.518,421 2.362,422 1,423 2.5,424 1.028,425 3.247,426 1.989,427 1,428 1.5,430 2.136,431 0.986,432 2.082,433 1,434 3.165,435 1.575,436 0.558,437 0.791,439 1.302,440 0.56,441 1.895,442 0.445,443 3.032,444 1.37,445 0.386,446 0.577,448 0.954,449 0.379,450 1.245,451 0.187,452 2.809,453 0.921,454 -0.063,455 -0.08,457 -0.168,458 -0.062,459 0.827,460 -0.337,461 2.513,462 0.414,463 -0.592,464 -0.791,466 -1.528,467 -0.593,468 12.233,469 0.471,470 0.627,471 0.024,472 36.25,473 1.394,474 19.5,475 0.75,476 16.75,477 0.644,478 18.388,479 0.707,480 26.767,481 0.608,482 27.603,483 1.062,484 7.541,485 0.29,486 5.09,487 0.196,488 0.109,490 0.351,496 0.596,497 1.13,498 0.71,499 1.009,500 0.545,501 0.901,502 0.892,503 1.01,504 0.788,505 0.803,506 0.637,507 0.769,508 0.774,509 1.303,510 0.964,511 1.284,512 0.865,513 1.18,514 1.371,515 1.035,516 0.954,517 0.883,518 1.701,519 0.871,520 1.533,521 1.136,522 0.985,523 0.821,524 1.176,525 0.802,526 1.546,527 1.047,528 1.228,529 1.002,530 1.423,531 1.043,532 1.07,533 0.889,534 1,535 1.016,536 1.303,537 1.011,538 0.771,539 0.906,540 1.134,541 1.194,542 1.124,543 1.235,544 4.5,545 0.04,546 2.889,547 1.569,548 1.569,549 0.98,550 0.721,551 0.452,552 0.27,553 0.158,554 7623,555 20292,556 2.124,557 40.9,559 16,561 1,562 1,567 1.697,568 2,569 3.193,570 -0.294,571 1,572 1,577 68.936,578 1.567,579 3.675,580 4.317,581 4.772,582 4.834,583 4.834,584 2.701,585 4.287,586 4.67,587 3.343,588 1086.35,589 8.13,590 13235.1,592 1,594 1,595 240.215,596 1.37,597 4.637,598 0.155,599 0.004,600 0.07,601 0.039,602 0.04,603 0.024,604 0.019,605 0.013,606 0.01,607 0.009,608 0.384,609 0.33,610 1,611 0.902,612 125.034,613 0.175,614 0.041,615 0.074,616 -0.029,617 0.002,618 -0.007,619 -0.004,620 0.1,621 0.088,622 0.155,624 0.144,625 0.078,626 -0.268,627 -0.087,628 -0.281,629 0.017,630 -0.224,631 0.005,632 -0.068,633 0.078,634 0.057,635 -0.054,636 0.069,637 -0.293,638 -0.054,639 -0.022,640 0.077,641 -0.05,642 0.079,643 -0.292,644 0.04,645 -0.285,646 -0.099,647 -0.155,648 -0.169,649 0.015,650 0.072,651 -0.02,652 -0.025,653 -0.028,654 -0.031,655 0.134,656 0.005,657 -0.164,658 -0.158,659 0.005,660 -0.206,661 1.798,662 5.831,663 0.769,664 21.864,665 1.005,666 1.129,667 2.449,668 5.997,669 0.683,670 3.401,671 3.738,672 4.043,673 4.331,674 4.522,675 4.625,676 4.796,677 4.956,678 5.017,679 5.063,680 5.673,681 0.659,682 346.43,683 3.401,684 4.949,685 5.814,686 6.703,687 7.589,688 8.486,689 9.381,690 10.283,691 11.183,692 12.087,693 13.6,700 1,701 2,703 3,708 2,709 9,710 3,711 1,714 4,715 1,716 21,724 1,735 44,737 22,738 2,739 29,741 47,742 19,743 15,744 4,745 8,746 1,748 4,749 5,762 16,763 3,767 1,772 1,776 1,779 1,780 1,783 18,784 5,785 1,786 7,792 6,797 0.75,798 1,807 1,815 2,816 2,819 1,843 3,847 2,851 26,858 1,864 1,871 1,874 2.3,877 1,881 13,882 8.667,883 5.667,884 2.465,886 3.791,887 1.51,888 1.016,889 4.272,890 11.226,891 3.726,892 4.369,893 5.017,894 5.641,895 6.115,896 6.484,897 6.981,898 7.48,899 7.792,900 8.16,901 1,902 40,903 9.566,905 4.068,906 7.718,907 18.174,909 14.784,911 2.218,912 57.667,915 1,916 200.109,917 125.062,918 71.43,920 25.145,923 125.062,924 225.254,925 71.43,926 16.793,927 5.23,928 75.81,929 91.487,930 39.188,931 4.901,932 188.338,934 200.109,935 196.493,936 25.145,939 200.109,940 25.145,943 35.474,944 111.152,945 49.867,947 200.109,948 96.575,949 125.062,952 200.109,953 23.412,954 106.551,955 16.663,956 75.011,957 200.109,958 96.575,959 125.062,961 0.584,962 0.347,963 0.188,964 0.1,965 21,966 9,967 0.085,968 4,969 1,970 1.1,971 3.756,972 228.056,973 0.1,974 20,975 116.211,981 16.492,982 6.734,983 3.149,984 1.897,985 78.136,986 17.458,987 12.608,988 2.925,991 2.94,992 1.659,993 16.663,994 421.746,995 40.5,1000 12.831,1004 -0.131,1007 44.24,1008 49.69,1009 0.287,1010 0.673,1011 0.791,1012 0.874,1013 0.885,1014 0.885,1015 4.951,1016 1.298,1017 5.802,1018 3.984,1019 4.419,1020 5.056,1021 1.487,1022 6.637,1023 4.372,1024 6.174,1025 1.236,1026 7.375,1027 3.079,1028 4.007,1029 4.844,1030 0.325,1031 7.594,1032 3.93,1033 7.488,1034 1.025,1035 9.051,1036 2.979,1037 6.028,1038 7.314,1039 1.543,1040 10.732,1041 5.935,1042 8.844,1043 1,1044 10.79,1045 2.362,1046 6.479,1047 7.991,1048 0.653,1049 12.561,1050 6.353,1051 10.235,1052 0.558,1053 12.57,1054 2.136,1055 7.951,1056 9.879,1057 1.746,1058 15.218,1059 7.809,1060 11.651,1061 0.386,1062 14.379,1063 1.302,1064 8.783,1065 10.97,1066 1.001,1067 17.402,1068 8.609,1069 13.087,1070 -0.063,1071 16.209,1072 0.954,1073 10.048,1074 12.618,1075 1.994,1076 19.909,1077 9.855,1078 3.26,1079 -0.592,1080 18.055,1081 -0.168,1082 11.056,1083 13.907,1084 1.37,1085 22.244,1086 10.831,1087 2.916,1088 11.656,1089 19.914,1090 -1.528,1091 12.245,1092 15.452,1093 2.264,1094 24.705,1095 11.998,1096 2.551,1097 9.304,1098 21.783,1099 4.428,1100 13.334,1101 16.835,1102 1.754,1103 27.105,1104 13.056,1105 2.482,1106 7.967,1107 23.661,1108 4.191,1109 14.498,1110 18.336,1111 2.551,1112 29.555,1113 14.195,1114 2.139,1115 7.363,1116 25.547,1117 3.451,1118 15.625,1119 19.765,1120 2.143,1121 31.984,1122 15.292,1123 1.535,1124 6.198,1125 27.439,1126 3.129,1127 16.784,1128 21.248,1129 2.851,1130 34.432,1131 16.425,1132 1.525,1133 4.325,1134 29.337,1135 2.784,1136 17.931,1137 22.699,1138 2.535,1139 36.874,1140 17.543,1141 7224,1142 11930,1143 19.592,1144 30.057,1145 44.597,1146 44.875,1147 44.856,1148 43.873,1149 43.825,1150 60.403,1151 4.029,1152 127.217,1153 42.809,1154 5.422,1155 5.722,1156 6.737,1157 5.259,1158 5.26,1159 7.428,1160 2.293,1161 18.961,1162 5.171,1163 10.912,1164 1.538,1165 1.547,1166 1.547,1167 1.513,1168 1.511,1169 2.083,1170 0.139,1171 4.387,1172 1.476,1173 4.129,1174 4.171,1175 4.097,1176 4.02,1177 7.428,1178 4.032,1179 3.963,1180 4.013,1181 3.92,1182 3.86,1183 5.128,1184 3.859,1185 3.815,1186 3.858,1187 3.763,1188 3.638,1189 5.016,1190 3.674,1191 3.531,1192 3.62,1193 3.419,1194 3.264,1195 4.735,1196 3.287,1197 3.313,1198 3.383,1199 3.231,1200 3.124,1201 4.331,1202 3.139,1203 3.05,1204 3.113,1205 2.914,1206 2.919,1207 4.207,1208 2.91,1209 2.924,1210 3.009,1211 2.799,1212 2.767,1213 3.808,1214 2.77,1215 2.874,1216 2.986,1217 2.722,1218 2.735,1219 3.753,1220 2.715,1221 0.159,1222 0.128,1223 0.239,1224 0.146,1225 0.112,1226 4.613,1227 0.153,1228 3.722,1229 0.041,1230 6.936,1231 0.402,1232 4.233,1233 0.109,1234 3.26,1235 4.428,1236 1.2,1237 11.656,1238 3.171,1239 1.956,1240 1.935,1241 2.047,1242 2.04,1243 1.195,1244 2.041,1245 1.912,1246 1.882,1247 2.022,1248 2.004,1249 1.152,1250 2.012,1251 1.616,1252 1.569,1253 1.805,1254 1.856,1255 0.878,1256 1.84,1257 1.37,1258 1.285,1259 1.585,1260 1.649,1261 0.744,1262 1.63,1263 1.312,1264 1.23,1265 1.465,1266 1.64,1267 0.496,1268 1.593,1269 1.22,1270 1.164,1271 1.417,1272 1.423,1273 0.469,1274 1.393,1275 0.934,1276 0.853,1277 1.339,1278 1.239,1279 0.406,1280 1.308,1281 0.904,1282 0.821,1283 1.181,1284 1.13,1285 0.218,1286 1.127,1287 4.078,1289 5.407,1290 3.045,1291 6.927,1292 5.352,1293 8.533,1294 7.413,1295 10.188,1297 3.455,1303 0.483,1309 1.542,1314 29.004,1315 68.936,1316 161.686,1317 189.95,1318 209.95,1319 212.705,1320 212.705,1321 37.979,1322 7.435,1323 79.7,1324 79.7,1325 22,1326 12.607,1327 4.524,1328 3.644,1329 37.742,1330 84,1331 93,1332 0.213,1333 178.939,1334 292.61,1335 428.372,1336 15895,1338 18.096,1339 0.696,1340 0.56,1341 18.096,1342 14.548,1343 12.631,1344 0.436,1345 0.285,1346 8.123,1347 12.098,1348 7.871,1349 6.597,1350 12.631,1351 8.258,1352 11.446,1353 0.279,1354 0.154,1355 11.446,1356 6.302,1357 9.865,1358 0.176,1359 0.076,1360 9.865,1361 4.233,1362 8.208,1363 0.109,1364 0.039,1365 8.208,1366 2.888,1367 6.455,1368 0.071,1369 0.021,1370 6.455,1371 1.913,1372 0.323,1373 79.545,1374 0.226,1375 24.707,1376 0.617,1377 140,1378 408.294,1379 152.983,1380 402.382,1381 558.52,1382 376,1383 167,1384 427.66,1385 182.869,1386 435.443,1387 631.04,1388 406,1389 5.1}
{0 CHEMBL1996155,1 1.428,2 10.143,3 1.992,4 3.966,5 83.131,6 6.748,7 0.522,8 3.819,9 3.948,10 3.318,11 3.342,12 4.817,13 3.306,14 4.355,15 4.558,16 3.544,17 3.68,18 5.25,19 3.611,20 4.546,21 4.772,22 3.501,23 3.781,24 5.384,25 3.654,26 4.583,27 4.853,28 3.32,29 3.697,30 5.322,31 3.532,32 4.516,33 4.804,34 3.289,35 3.586,36 5.275,37 3.454,38 4.244,39 4.458,40 3.332,41 3.551,42 5.15,43 3.448,44 4.323,45 4.572,46 3.278,47 3.523,48 5.191,49 3.397,50 4.293,51 4.582,52 3.037,53 3.352,54 5.09,55 3.211,56 0.03,57 0.614,58 9.613,59 3.889,60 7.636,61 5.489,62 0.169,63 0.945,64 17.562,65 5.977,66 16.713,67 8.727,68 0.281,69 1.056,70 21.519,71 7.929,72 21.53,73 11.358,74 0.166,75 1.022,76 22.545,77 8.373,78 20.166,79 12.147,80 0.283,81 0.931,82 21.794,83 7.055,84 25.768,85 10.387,86 0.15,87 0.84,88 15.612,89 5.686,90 16.381,91 8.272,92 0.108,93 0.867,94 17.057,95 6.017,96 19.765,97 9.061,98 0.231,99 0.78,100 17.3,101 5.264,102 22.236,103 8.054,104 2,105 30,106 0.253,107 0.569,108 0.789,109 0.843,110 0.859,111 0.859,112 3.102,113 0.974,114 -2.72,115 -2.74,116 -2.66,119 40.5,121 3,124 1,125 2,127 1,142 3,143 2,144 1,145 4,172 6,175 5,183 6,187 2,188 5,196 4,200 3,208 3,213 4,221 3,224 1,225 6,233 1,238 4,246 1,249 1,250 1,258 1,263 1,264 1,272 1,276 599,277 14.499,278 14.499,279 14.499,280 14.499,281 14.499,282 13.025,283 17.429,284 8.855,285 14.86,286 11.377,287 11.377,288 11.377,289 11.377,290 11.377,291 9.235,292 22.051,293 4.253,294 11.932,295 3.964,296 2.184,297 0.941,298 0.637,299 0.542,300 0.542,301 3.784,304 1,305 1,306 1,307 461,308 2.55,310 54.374,312 146.974,319 1.769,320 10.72,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 44.5,332 213,333 4.083,334 3.161,335 6.083,336 3.819,337 2.88,338 3.675,339 0.86,340 8.756,341 2.704,342 3.894,343 2.944,344 5.604,345 3.671,346 2.698,347 3.44,348 0.8,349 7.753,350 2.632,351 3.857,352 2.729,353 5.337,354 3.483,355 2.499,356 2.874,358 6.96,359 2.457,360 3.363,361 2.425,362 4.965,363 3.021,364 2.072,365 2.606,367 5.895,368 1.954,369 2.917,370 1.646,371 3.982,372 2.437,373 1.501,374 2.086,376 3.299,377 1.402,378 2.692,379 1.55,380 3.64,381 2.235,382 1.315,383 1.776,385 3.135,386 1.203,387 2.5,388 1.25,389 3.498,390 2.09,391 1.159,392 1.5,394 2.638,395 1.076,396 2.29,397 1,398 3.247,399 1.984,400 1,401 1.282,403 2.136,404 0.983,405 1.823,406 0.856,407 3.158,408 1.605,409 0.645,410 0.716,412 1.484,413 0.615,414 1.666,415 0.655,416 3.088,417 1.582,418 0.6,419 0.65,421 1.393,422 0.589,423 1.341,424 0.548,425 2.941,426 1.157,427 0.254,428 0.27,430 0.626,431 0.228,432 0.918,433 -0.131,434 2.3,435 0.565,436 -0.408,437 -0.511,439 -0.983,440 -0.394,441 0.659,442 -0.315,443 2.199,444 0.278,445 -0.649,446 -0.769,448 -1.591,449 -0.596,450 0.556,451 -0.78,452 1.658,453 0.109,454 -0.87,455 -1.128,457 -2.172,458 -0.851,459 0.5,460 -0.824,461 1.555,462 -0.049,463 -1,464 -1.181,466 -2.347,467 -0.946,468 10.033,469 0.478,470 0.362,471 0.017,472 26.25,473 1.25,474 12.5,475 0.595,476 13.75,477 0.655,478 15.309,479 0.729,480 22.967,481 0.547,482 15.582,483 0.742,484 5.114,485 0.244,486 5.195,487 0.247,488 0.05,490 0.239,496 0.863,497 1.484,498 0.862,499 1.231,500 0.736,501 1.075,502 1.444,503 1.038,504 1.074,505 0.968,506 1.058,507 0.97,508 1.073,509 1.043,510 1.133,511 1.142,512 1.038,513 1.152,514 0.923,515 1.055,516 0.98,517 1.123,518 0.977,519 1.076,520 1.587,521 0.671,522 0.892,523 0.625,524 1.38,525 0.686,526 1.04,527 1.123,528 1.099,529 1.107,530 1.105,531 1.11,532 0.786,533 1.27,534 0.978,535 1.167,536 0.904,537 1.1,538 1.356,539 0.751,540 1.059,541 0.803,542 1.236,543 0.872,544 3.5,545 0.058,546 1.556,547 0.875,548 0.684,549 0.333,550 0.205,551 0.205,552 0.082,553 0.051,554 5135,555 11207,556 2.131,557 50,558 4,559 11,561 4,565 2,567 1.626,568 2.066,569 3.349,570 -0.797,571 1,572 1,574 1,577 59.997,578 1.428,579 3.209,580 4.452,581 4.755,582 4.851,583 4.851,584 2.761,585 4.202,586 4.364,587 3.503,588 735.633,589 7.448,590 8252.03,591 1,592 1,594 1,595 226.477,596 1.049,597 4.355,598 0.152,599 0.006,600 0.056,601 0.035,602 0.034,603 0.016,604 0.009,605 0.01,606 0.005,607 0.005,608 0.329,609 0.67,610 1,611 0.418,612 97.418,613 0.037,614 -0.277,615 0.08,616 -0.123,617 0.138,618 -0.034,619 -0.193,620 0.074,621 -0.08,622 0.027,623 -0.026,624 -0.002,625 0.072,626 -0.037,627 -0.156,628 -0.132,629 -0.039,630 -0.165,631 0.012,632 -0.15,633 -0.015,634 -0.128,635 -0.042,636 -0.082,637 -0.178,638 0.217,639 0.132,640 0.312,641 -0.141,642 0.261,643 -0.068,644 -0.045,645 -0.134,646 -0.096,647 -0.099,648 -0.122,649 0.019,650 -0.262,651 -0.018,652 -0.18,653 0.083,654 -0.115,655 -0.122,656 0.22,657 -0.043,658 0.097,659 -0.04,660 0.05,661 0.789,662 2.359,663 0.762,664 18.834,665 0.99,666 1.13,667 1.495,668 2.234,669 0.651,670 3.178,671 3.434,672 3.638,673 3.714,674 3.85,675 3.784,676 3.871,677 3.951,678 4.025,679 4.007,680 6.148,681 0.608,682 283.41,683 3.178,684 4.673,685 5.485,686 6.315,687 7.138,688 7.971,689 8.798,690 9.632,691 10.461,692 11.296,693 7.1,696 1,703 2,709 7,710 2,714 3,716 12,733 1,735 42,736 1,737 12,739 23,741 44,742 17,743 10,748 3,749 3,757 2,760 4,762 10,763 7,779 1,780 1,783 21,784 4,786 4,792 3,797 1,798 1,809 2,814 1,816 2,839 1,843 3,847 1,851 21,858 5,861 1,863 1,864 1,874 2.4,879 1,881 10.167,882 7.683,883 4.694,884 2.564,886 2.154,887 1.329,888 0.961,889 4.588,890 8.695,891 3.401,892 3.892,893 4.344,894 4.751,895 5.203,896 5.056,897 5.286,898 5.584,899 5.968,900 6.195,901 0.857,902 25,903 7.755,905 3.168,906 7.468,907 15.325,909 12.472,911 1.968,912 41.333,913 0.001,916 247.193,917 98.931,918 36.695,920 11,923 98.931,924 258.193,925 36.695,926 8.396,927 14.302,928 28.429,929 80.655,930 61.928,932 200.109,934 247.193,935 135.626,936 11,939 223.651,940 34.542,943 53.616,944 48.44,945 33.571,947 247.193,948 47.695,949 98.931,952 247.193,953 25.916,954 76.139,956 44.571,957 247.193,958 47.695,959 98.931,961 0.567,962 0.32,963 0.151,964 0.077,965 14,966 5,967 0.136,968 6,970 1,971 3.613,972 147.99,974 16,975 88.239,981 14.183,982 6.794,983 3.871,985 47.695,986 13.607,987 8.325,991 3.39,994 393.819,995 29,1007 41.585,1008 47.441,1009 0.265,1010 0.595,1011 0.826,1012 0.882,1013 0.9,1014 0.9,1015 4.595,1016 1,1017 5.416,1018 2.638,1019 4.111,1020 4.575,1021 1.235,1022 6.111,1023 4.021,1024 5.728,1025 0.645,1026 6.899,1027 2.136,1028 3.434,1029 3.98,1030 0.325,1031 6.742,1032 3.317,1033 6.98,1034 0.6,1035 8.477,1036 1.484,1037 5.624,1038 6.587,1039 0.938,1040 9.804,1041 5.455,1042 8.26,1043 0.254,1044 10.115,1045 1.393,1046 5.802,1047 6.776,1048 0.268,1049 11.271,1050 5.598,1051 9.569,1052 -0.408,1053 11.79,1054 0.626,1055 7.383,1056 8.845,1057 0.732,1058 13.778,1059 7.134,1060 10.895,1061 -0.649,1062 13.491,1063 -0.983,1064 7.967,1065 9.42,1066 0.188,1067 15.593,1068 7.673,1069 12.235,1070 -0.87,1071 15.209,1072 -1.591,1073 9.269,1074 11.223,1075 0.57,1076 17.89,1077 8.932,1078 2.88,1079 -1,1080 16.941,1081 -2.172,1082 10.063,1083 12.026,1084 0.125,1085 19.871,1086 9.674,1087 2.698,1088 8.756,1089 18.682,1090 -2.347,1091 11.228,1092 13.666,1093 0.438,1094 22.081,1095 10.795,1096 2.499,1097 7.753,1098 20.431,1099 3.675,1100 12.134,1101 14.619,1102 0.082,1103 24.145,1104 11.645,1105 2.072,1106 6.96,1107 22.185,1108 3.44,1109 13.231,1110 16.151,1111 0.334,1112 26.32,1113 12.695,1114 1.501,1115 5.895,1116 23.945,1117 2.874,1118 14.198,1119 17.206,1120 0.054,1121 28.427,1122 13.603,1123 1.315,1124 3.299,1125 25.709,1126 2.606,1127 15.262,1128 18.664,1129 0.252,1130 30.588,1131 14.617,1132 1.159,1133 3.135,1134 27.477,1135 2.086,1136 16.261,1137 19.791,1138 0.035,1139 32.718,1140 15.557,1141 4893,1142 7319,1143 15.89,1144 27.324,1145 33.115,1146 33.435,1147 33.697,1148 33.223,1149 33.244,1150 41.752,1151 3.32,1152 88.15,1153 31.686,1154 5.083,1155 5.161,1156 5.885,1157 4.88,1158 4.88,1159 6.675,1160 1.72,1161 14.929,1162 4.652,1163 5.92,1164 1.44,1165 1.454,1166 1.465,1167 1.444,1168 1.445,1169 1.815,1170 0.144,1171 3.833,1172 1.378,1173 3.968,1174 4.009,1175 3.898,1176 3.862,1177 4.955,1178 3.864,1179 3.873,1180 3.93,1181 3.784,1182 3.73,1183 4.888,1184 3.738,1185 3.805,1186 3.849,1187 3.726,1188 3.677,1189 4.487,1190 3.681,1191 3.331,1192 3.396,1193 3.192,1194 3.16,1195 4.243,1196 3.158,1197 3.131,1198 3.217,1199 2.958,1200 2.884,1201 4.021,1202 2.883,1203 2.999,1204 3.1,1205 2.72,1206 2.765,1207 3.717,1208 2.74,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.674,1214 2.715,1215 2.77,1216 2.846,1217 2.642,1218 2.615,1219 3.591,1220 2.605,1221 0.178,1222 0.137,1223 0.264,1224 0.166,1225 0.125,1226 4.083,1227 0.16,1228 3.161,1229 0.037,1230 6.083,1231 0.381,1232 3.819,1233 0.118,1234 2.88,1235 3.675,1236 0.86,1237 8.756,1238 2.704,1239 1.916,1240 1.882,1241 2.054,1242 2.06,1243 1.4,1244 2.06,1245 1.843,1246 1.79,1247 2.03,1248 2.014,1249 1.262,1250 2.023,1251 1.775,1252 1.732,1253 1.891,1254 1.915,1255 0.95,1256 1.911,1257 1.313,1258 1.251,1259 1.566,1260 1.529,1261 0.701,1262 1.545,1263 1.116,1264 1.022,1265 1.51,1266 1.396,1267 0.622,1268 1.436,1269 1.01,1270 0.915,1271 1.375,1272 1.291,1273 0.578,1274 1.325,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.769,1282 0.701,1283 1.057,1284 0.975,1285 0.195,1286 1.005,1287 3.85,1289 5.165,1291 6.666,1293 8.234,1295 9.831,1297 2.14,1303 5.131,1306 5.859,1308 0.561,1309 2.32,1314 25.52,1315 59.997,1316 134.768,1317 186.968,1318 199.722,1319 203.722,1320 203.722,1321 25.234,1322 6.541,1323 38.25,1324 38.25,1325 16,1326 11.866,1327 3.7,1328 2.807,1329 32.374,1330 77,1331 66,1332 0.201,1333 158.475,1334 269.73,1335 378.439,1336 5913,1338 14.493,1339 0.69,1340 0.591,1341 14.493,1342 12.404,1343 10.31,1344 0.448,1345 0.325,1346 7.367,1347 9.923,1348 7.165,1349 5.95,1350 10.31,1351 7.47,1352 8.872,1353 0.296,1354 0.187,1355 8.872,1356 5.618,1357 7.343,1358 0.198,1359 0.111,1360 7.343,1361 4.102,1362 5.322,1363 0.133,1364 0.059,1365 5.322,1366 2.361,1367 4.029,1368 0.088,1369 0.031,1370 4.029,1371 1.426,1372 0.323,1373 64.426,1374 0.251,1375 21.448,1376 0.53,1377 106,1378 274.671,1379 114.4,1380 265.775,1381 364.81,1382 252,1383 120,1384 263.793,1385 129.261,1386 269.924,1387 385.23,1388 252,1389 5.8}
{0 CHEMBL1996208,1 1.646,2 10.174,3 1.491,4 2.223,5 89.676,6 7.358,7 0.48,8 3.882,9 4.018,10 3.437,11 3.283,12 4.989,13 3.299,14 4.416,15 4.606,16 3.723,17 3.623,18 5.476,19 3.613,20 4.596,21 4.83,22 3.701,23 3.724,24 5.544,25 3.674,26 4.546,27 4.783,28 3.619,29 3.675,30 5.521,31 3.597,32 4.557,33 4.805,34 3.613,35 3.611,36 5.538,37 3.55,38 4.482,39 4.708,40 3.547,41 3.5,42 5.484,43 3.479,44 4.434,45 4.677,46 3.439,47 3.469,48 5.469,49 3.413,50 4.442,51 4.739,52 3.265,53 3.471,54 5.314,55 3.339,56 0.095,57 0.662,58 9.425,59 3.218,60 9.948,61 4.73,62 0.452,63 0.953,64 18.292,65 5.075,66 29.439,67 7.633,68 0.466,69 1.061,70 22.85,71 5.976,72 31.308,73 9.596,74 0.462,75 1.002,76 21.344,77 6.128,78 31.959,79 9.685,80 0.46,81 0.942,82 22.367,83 5.952,84 37.713,85 9.502,86 0.502,87 0.878,88 20.821,89 4.433,90 33.519,91 7.266,92 0.59,93 0.854,94 19.929,95 4.101,96 40.701,97 7.273,98 0.382,99 0.816,100 20.586,101 5.665,102 35.376,103 9.381,104 3,105 32,106 0.29,107 0.625,108 0.786,109 0.85,110 0.85,111 0.85,112 3.188,113 0.907,114 -3.36,115 -3.34,116 -3.2,119 34.9,121 1,125 5,142 4,145 1,146 1,147 2,150 1,163 1,164 1,165 1,169 1,171 1,172 2,174 4,175 7,178 1,180 1,183 2,187 1,188 1,190 1,191 1,193 1,196 1,198 1,199 3,200 4,203 3,208 1,212 1,213 2,215 3,216 3,224 2,225 4,230 1,233 1,237 2,238 2,241 1,243 1,248 1,249 1,250 4,252 1,253 2,255 1,258 1,264 2,266 1,267 1,269 2,272 1,274 1,276 782,277 16.077,278 16.077,279 16.077,280 16.077,281 16.077,282 14.654,283 22.743,284 9.974,285 16.75,286 12.348,287 12.348,288 12.348,289 12.348,290 12.348,291 10.148,292 30.262,293 4.736,294 13.373,295 3.78,296 1.881,297 0.965,298 0.605,299 0.605,300 0.605,301 3.877,304 1,305 1,306 1,307 502,308 2.55,312 235.703,319 1.486,320 19.275,322 1,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 51,332 234,333 4.264,334 3.192,335 6.209,336 3.873,337 2.953,338 3.878,339 0.86,340 9.361,341 2.718,342 3.897,343 2.863,344 5.507,345 3.493,346 2.536,347 3.444,348 0.86,349 7.377,350 2.436,351 3.667,352 2.698,353 5.339,354 3.383,355 2.471,356 2.871,357 0.8,358 6.962,359 2.244,360 3.37,361 2.403,362 4.99,363 2.987,364 2.087,365 2.616,367 5.926,368 1.865,369 2.939,370 2.246,371 4.374,372 2.645,373 1.746,374 2.105,376 4.291,377 1.567,378 2.892,379 1.676,380 3.677,381 2.519,382 1.539,383 1.942,385 3.226,386 1.503,387 2.5,388 1.47,389 3.494,390 2.007,391 1.12,392 1.5,394 2.635,395 0.987,396 2.241,397 1.274,398 3.32,399 1.958,400 1,401 1.222,403 2.266,404 0.955,405 2.18,406 1.256,407 3.247,408 1.952,409 1,410 1.144,412 2.136,413 0.946,414 2,415 1,416 3.247,417 1.912,418 1,419 1,421 2.136,422 0.904,423 1.584,424 0.485,425 2.82,426 1.401,427 0.433,428 0.483,430 0.639,431 0.418,432 1.217,433 0.281,434 2.695,435 0.918,441 0.804,442 -0.287,443 2.494,444 0.437,445 -0.49,446 -0.565,448 -1.247,449 -0.453,450 0.724,451 -0.36,452 1.984,453 0.324,454 -0.612,455 -0.77,457 -1.462,458 -0.567,459 0.5,460 -0.361,461 1.682,462 0.105,463 -0.843,464 -1,466 -1.887,467 -0.797,468 10.567,469 0.459,470 0.324,471 0.014,472 29.5,473 1.283,474 13.5,475 0.587,476 16,477 0.696,478 16.949,479 0.737,480 26.033,481 0.605,482 19.28,483 0.838,484 5.976,485 0.26,486 5.372,487 0.234,488 0.038,490 0.227,496 0.958,497 1.564,498 0.806,499 1.292,500 0.962,501 1.048,502 1.258,503 1.072,504 1.006,505 0.981,506 0.954,507 0.96,508 1.174,509 1.058,510 1.007,511 0.941,512 0.981,513 0.941,514 0.723,515 1.025,516 1.034,517 1.158,518 0.968,519 1.15,520 0.98,521 1.034,522 0.921,523 1.041,524 0.887,525 0.982,526 1.778,527 1.068,528 1.245,529 0.952,530 1.422,531 0.992,532 1.3,533 1.019,534 1.241,535 0.892,536 1.535,537 1.016,538 0.576,539 0.836,540 0.835,541 0.892,542 0.875,543 0.906,544 3.5,545 0.029,546 1.333,547 0.938,548 0.756,549 0.66,550 0.202,551 0.156,552 0.184,553 0.086,554 6035,555 16301,556 2.119,557 46.5,559 14,561 1,562 3,563 2,567 1.657,568 2.06,569 3.335,570 1.118,571 1,572 1,574 1,577 70.778,578 1.646,579 3.545,580 4.461,581 4.822,582 4.822,583 4.822,584 2.736,585 4.089,586 4.494,587 3.474,588 879.023,589 7.736,590 10319.3,592 1,594 1,595 233.329,596 0.998,597 4.488,598 0.14,599 0.002,600 0.042,601 0.03,602 0.028,603 0.024,604 0.008,605 0.007,606 0.01,607 0.005,608 0.296,609 0.33,610 1,611 0.59,612 108.865,613 -0.053,614 -0.247,615 0.063,616 -0.15,617 -0.039,618 -0.034,619 -0.032,620 0.05,621 -0.041,622 0.027,623 0.026,624 -0.013,625 -0.129,626 -0.037,627 -0.033,628 0.04,629 -0.073,630 0.024,631 0.148,632 0.03,633 -0.088,634 -0.165,635 -0.041,636 -0.171,637 0.068,638 -0.073,639 0.067,640 -0.072,641 0.109,642 -0.012,643 -0.347,644 -0.071,645 -0.215,646 -0.059,647 -0.253,648 -0.106,649 -0.091,650 -0.004,651 -0.233,652 -0.009,653 -0.192,654 -0.122,655 0.126,656 0.059,657 0.138,658 0.073,659 0.135,660 0.103,661 1.363,662 2.168,663 0.783,664 20.087,665 1.01,666 1.147,667 2.125,668 4.516,669 0.634,670 3.258,671 3.497,672 3.714,673 3.932,674 4.143,675 4.078,676 4.159,677 4.174,678 4.22,679 4.22,680 6.077,681 0.61,682 316.41,683 3.258,684 4.745,685 5.557,686 6.392,687 7.22,688 8.064,689 8.899,690 9.747,691 10.586,692 11.436,693 14,697 1,698 1,699 1,703 3,709 5,710 3,714 4,716 12,730 1,733 1,735 43,737 12,739 25,741 45,742 15,743 9,748 3,749 3,760 1,762 9,763 6,779 1,780 1,783 20,784 8,785 3,786 8,792 6,795 1,797 1,798 2,809 1,810 1,816 3,842 1,843 3,851 23,852 1,858 6,860 1,861 2,864 1,874 4.7,878 1,879 1,881 11.167,882 7.383,883 5.278,884 2.463,886 2.103,887 1.311,888 0.964,889 5.582,890 8.856,891 3.466,892 3.951,893 4.437,894 4.934,895 5.404,896 5.367,897 5.546,898 5.649,899 5.859,900 6.148,901 0.857,902 31,903 8.446,905 3.432,906 7.681,907 16.174,909 12.652,911 2.181,912 50.167,916 200.109,917 79.274,918 104.144,920 22,923 79.274,924 222.109,925 104.144,927 20.523,928 70.68,929 91.016,930 25.928,931 9.042,932 188.338,934 200.109,935 183.418,936 22,939 200.109,940 11,941 11,943 36.713,944 78.46,945 68.245,947 200.109,948 126.144,949 79.274,952 200.109,953 32.321,954 50.077,955 17.888,956 105.131,957 200.109,958 126.144,959 79.274,961 0.554,962 0.318,963 0.175,964 0.099,965 14,966 5,967 0.133,968 6,970 1,971 3.681,972 172.517,974 18,975 100.042,981 15.929,982 8.059,983 4.513,985 126.144,986 9.367,987 12.947,991 2.574,993 50.663,994 405.526,995 31,1007 43.451,1008 49.315,1009 0.303,1010 0.653,1011 0.822,1012 0.889,1013 0.889,1014 0.889,1015 4.654,1016 1,1017 5.476,1018 2.635,1019 4.174,1020 4.635,1021 1.593,1022 6.18,1023 4.022,1024 5.782,1025 1,1026 6.956,1027 2.266,1028 3.434,1029 4.111,1030 0.325,1031 6.823,1032 3.194,1033 7.031,1034 1,1035 8.533,1036 2.136,1037 5.652,1038 6.671,1039 1.294,1040 9.908,1041 5.349,1042 8.313,1043 0.433,1044 10.171,1045 2.136,1046 5.771,1047 6.976,1048 0.268,1049 11.416,1050 5.375,1051 9.629,1053 11.85,1054 0.639,1055 7.386,1056 8.987,1057 1.061,1058 13.964,1059 6.932,1060 10.968,1061 -0.49,1062 13.556,1064 7.943,1065 9.706,1066 0.188,1067 15.852,1068 7.397,1069 12.325,1070 -0.612,1071 15.283,1072 -1.247,1073 9.268,1074 11.445,1075 0.861,1076 18.2,1077 8.661,1078 2.953,1079 -0.843,1080 17.025,1081 -1.462,1082 10.062,1083 12.402,1084 0.125,1085 20.268,1086 9.363,1087 2.536,1088 9.361,1089 18.778,1090 -1.887,1091 11.245,1092 13.987,1093 0.69,1094 22.54,1095 10.481,1096 2.471,1097 7.377,1098 20.541,1099 3.878,1100 12.168,1101 15.089,1102 0.082,1103 24.694,1104 11.312,1105 2.087,1106 6.962,1107 22.312,1108 3.444,1109 13.285,1110 16.581,1111 0.544,1112 26.938,1113 12.358,1114 1.746,1115 5.926,1116 24.09,1117 2.871,1118 14.278,1119 17.774,1120 0.054,1121 29.134,1122 13.26,1123 1.539,1124 4.291,1125 25.873,1126 2.616,1127 15.366,1128 19.21,1129 0.424,1130 31.37,1131 14.271,1132 1.12,1133 3.226,1134 27.662,1135 2.105,1136 16.396,1137 20.461,1138 0.035,1139 33.585,1140 15.212,1141 5808,1142 9665,1143 17.277,1144 27.273,1145 35.787,1146 36.197,1147 36.398,1148 35.845,1149 35.769,1150 44.414,1151 5.04,1152 93.908,1153 33.09,1154 5.264,1155 5.192,1156 6.011,1157 4.977,1158 4.953,1159 6.878,1160 1.72,1161 15.618,1162 4.661,1163 6.104,1164 1.431,1165 1.448,1166 1.456,1167 1.434,1168 1.431,1169 1.777,1170 0.202,1171 3.756,1172 1.324,1173 3.94,1174 3.991,1175 3.892,1176 3.789,1177 5.182,1178 3.799,1179 3.865,1180 3.912,1181 3.801,1182 3.705,1183 4.96,1184 3.731,1185 3.668,1186 3.724,1187 3.562,1188 3.437,1189 4.877,1190 3.458,1191 3.411,1192 3.471,1193 3.268,1194 3.237,1195 4.616,1196 3.231,1197 3.161,1198 3.29,1199 3.028,1200 2.941,1201 4.31,1202 2.91,1203 3.111,1204 3.206,1205 2.866,1206 2.753,1207 3.96,1208 2.809,1209 2.909,1210 2.959,1211 2.817,1212 2.684,1213 3.842,1214 2.705,1215 2.788,1216 2.869,1217 2.633,1218 2.579,1219 3.744,1220 2.591,1221 0.171,1222 0.128,1223 0.248,1224 0.155,1225 0.118,1226 4.264,1227 0.155,1228 3.192,1229 0.034,1230 6.209,1231 0.374,1232 3.873,1233 0.109,1234 2.953,1235 3.878,1236 0.86,1237 9.361,1238 2.718,1239 1.857,1240 1.818,1241 1.99,1242 2.04,1243 1.207,1244 2.015,1245 1.802,1246 1.752,1247 1.945,1248 1.982,1249 1.142,1250 1.982,1251 1.585,1252 1.532,1253 1.746,1254 1.843,1255 0.825,1256 1.819,1257 1.392,1258 1.334,1259 1.65,1260 1.615,1261 0.814,1262 1.625,1263 1.153,1264 1.064,1265 1.513,1266 1.448,1267 0.751,1268 1.429,1269 0.998,1270 0.873,1271 1.292,1272 1.376,1273 0.234,1274 1.418,1275 0.841,1276 0.784,1277 1.125,1278 1.112,1279 0.22,1280 1.099,1281 0.746,1282 0.676,1283 1.051,1284 1.02,1285 0.059,1286 1.046,1287 3.932,1289 5.187,1291 6.648,1293 8.196,1295 9.79,1301 5.488,1303 4.088,1305 2.554,1306 11.027,1309 2.123,1314 26.246,1315 70.778,1316 152.436,1317 191.82,1318 207.329,1319 207.329,1320 207.329,1321 28.598,1322 6.752,1323 98.42,1324 98.42,1325 18,1326 11.996,1327 3.7,1328 2.807,1329 36.857,1330 82,1331 83,1332 0.214,1333 163.669,1334 276.92,1335 391.113,1336 7371,1338 15.908,1339 0.692,1340 0.557,1341 15.908,1342 12.812,1343 11.348,1344 0.454,1345 0.302,1346 7.386,1347 10.654,1348 7.299,1349 6.001,1350 11.348,1351 7.561,1352 9.441,1353 0.295,1354 0.158,1355 9.441,1356 5.057,1357 7.782,1358 0.195,1359 0.087,1360 7.782,1361 3.491,1362 6.347,1363 0.127,1364 0.046,1365 6.347,1366 2.299,1367 5.213,1368 0.084,1369 0.024,1370 5.213,1371 1.501,1372 0.337,1373 72.751,1374 0.241,1375 22.895,1376 0.579,1377 114,1378 371.697,1379 131.134,1380 348.529,1381 476.42,1382 330,1383 129,1384 348.883,1385 145.832,1386 346.439,1387 503.54,1388 326,1389 5.1}
{0 CHEMBL1996234,1 1.457,2 11.594,3 4.182,4 17.489,5 123.98,6 7.664,7 0.73,8 4.13,9 4.246,10 3.737,11 3.737,12 5.243,13 3.717,14 4.636,15 4.787,16 4.136,17 4.145,18 5.717,19 4.111,20 4.912,21 5.101,22 4.174,23 4.273,24 5.965,25 4.21,26 4.968,27 5.209,28 4.134,29 4.252,30 5.948,31 4.176,32 4.857,33 5.063,34 4.097,35 4.231,36 5.873,37 4.151,38 4.871,39 5.077,40 4.101,41 4.228,42 5.902,43 4.156,44 4.918,45 5.142,46 4.006,47 4.213,48 5.919,49 4.109,50 4.861,51 5.107,52 3.917,53 4.086,54 5.888,55 3.982,56 0.048,57 0.822,58 10.547,59 4.718,60 13.68,61 6.037,62 0.111,63 1.351,64 18.817,65 8.133,66 19.898,67 10.727,68 0.307,69 1.719,70 27.547,71 10.475,72 44.423,73 13.729,74 0.338,75 1.833,76 31.366,77 10.972,78 43.82,79 15.394,80 0.288,81 1.634,82 26.107,83 10.253,84 35.258,85 14.167,86 0.231,87 1.667,88 26.537,89 9.996,90 32.038,91 13.594,92 0.249,93 1.688,94 28.887,95 11.282,96 43.576,97 15.474,98 0.293,99 1.541,100 28.815,101 10.876,102 51.67,103 15.269,104 10,105 56,106 0.235,107 0.601,108 0.746,109 0.838,110 0.86,111 0.86,112 3.503,113 0.876,114 -4.85,115 -4.76,116 -4.47,119 47.3,120 1,121 2,122 1,130 1,142 10,143 3,145 1,146 3,147 1,151 1,152 1,161 1,163 1,164 1,165 1,172 14,174 1,175 7,177 1,178 1,180 3,183 16,187 1,188 12,190 1,191 1,193 1,196 12,199 1,200 7,202 1,203 1,205 1,208 10,210 1,212 1,213 8,216 2,218 3,221 14,223 3,224 1,225 5,230 3,233 15,235 3,237 1,238 5,240 1,241 1,243 2,246 12,248 1,250 8,253 1,254 1,255 4,257 1,258 9,260 2,264 6,269 3,272 6,274 2,276 1718,277 21.756,278 21.756,279 21.756,280 21.756,281 21.756,282 18.722,283 11.248,284 12.475,285 22.085,286 18.328,287 18.328,288 18.328,289 18.328,290 18.328,291 13.733,292 11.545,293 5.979,294 18.92,295 4.325,296 2.054,297 1.154,298 0.587,299 0.45,300 0.45,301 4.221,305 1,306 1,307 842,308 2.915,310 61.189,311 63.425,312 324.326,315 121.495,316 125.44,319 1.682,320 24.567,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 67.5,332 371,333 4.774,334 3.595,335 7.082,336 4.388,337 3.429,338 4.739,340 12.271,341 3.291,342 4.468,343 3.323,344 6.846,345 4.198,346 3.239,347 4.384,349 11.435,350 3.11,351 4.328,352 3.012,353 6.32,354 3.979,355 3.004,356 3.701,358 9.677,359 2.925,360 4.097,361 2.737,362 6.131,363 3.695,364 2.706,365 3.423,367 8.906,368 2.673,369 3.782,370 2.63,371 5.988,372 3.416,373 2.451,374 3.241,376 8.449,377 2.364,378 3.702,379 2.376,380 5.714,381 3.3,382 2.342,383 3.06,385 7.497,386 2.236,387 3.305,388 1.835,389 4.932,390 2.807,391 1.821,392 2.689,394 5.166,395 1.795,396 3.1,397 1.812,398 4.553,399 2.633,400 1.693,401 2.399,403 4.684,404 1.587,405 2.999,406 1.601,407 4.499,408 2.577,409 1.601,410 2.234,412 4.429,413 1.559,414 2.94,415 1.495,416 4.302,417 2.462,418 1.494,419 2.051,421 3.928,422 1.442,423 2.663,424 1.177,425 4.063,426 2.166,427 1.177,428 1.742,430 2.941,431 1.164,432 2.52,433 1.059,434 3.618,435 2,436 1.053,437 1.529,439 2.706,440 1,441 2.5,442 1,443 3.61,444 1.993,445 1,446 1.5,448 2.283,449 0.987,450 2.202,451 0.902,452 3.509,453 1.796,454 0.842,455 1.092,457 2.136,458 0.8,459 2.089,460 0.673,461 3.276,462 1.638,463 0.663,464 0.952,466 1.663,467 0.645,468 15.333,469 0.479,470 0.947,471 0.03,472 45.75,473 1.43,474 24.5,475 0.766,476 21.25,477 0.664,478 26.163,479 0.818,480 32.067,481 0.583,482 34.558,483 1.08,484 8.545,485 0.267,486 6.938,487 0.217,488 0.08,489 0.033,490 0.352,496 0.972,497 1.128,498 0.768,499 0.896,500 1.069,501 0.823,502 0.777,503 1.143,504 0.775,505 1.005,506 0.687,507 0.91,508 1.393,509 1.101,510 1.074,511 1.001,512 1.403,513 1.011,514 1.009,515 0.905,516 0.907,517 0.796,518 0.752,519 0.819,520 0.706,521 1.038,522 0.967,523 1.008,524 0.641,525 1.011,526 1.063,527 1.039,528 1.041,529 1.002,530 0.962,531 1.005,532 0.921,533 1.043,534 1.071,535 1.104,536 1.037,537 1.104,538 0.807,539 1.027,540 0.889,541 0.992,542 0.753,543 0.959,544 7,545 0.217,546 3.889,547 2.792,548 2.273,549 1.267,550 0.919,551 0.734,552 0.382,553 0.291,554 14722,555 34190,556 2.202,557 41.8,559 10,560 1,561 1,562 3,563 1,564 7,567 1.748,568 2.076,569 3.499,570 0.791,572 1,577 80.112,578 1.457,579 3.727,580 4.627,581 5.195,582 5.331,583 5.331,584 2.93,585 4.476,586 4.97,587 3.646,588 1808.32,589 8.713,590 25468.5,592 1,595 317.975,596 1.491,597 4.935,598 0.189,599 0.008,600 0.072,601 0.052,602 0.044,603 0.025,604 0.018,605 0.017,606 0.01,607 0.009,608 0.443,609 0.33,610 0.88,611 0.476,612 165.985,613 -0.094,614 -0.039,615 0.044,616 0.058,617 -0.19,618 0.064,619 0.102,620 -0.085,621 0.089,622 -0.045,623 0.094,624 0.007,625 -0.145,626 -0.069,627 -0.126,628 -0.05,629 -0.189,630 -0.088,631 -0.044,632 0.136,633 0.088,634 0.152,635 0.016,636 0.14,637 0.121,638 -0.011,639 -0.035,640 -0.043,641 0.065,642 -0.054,643 -0.103,644 0.008,645 -0.099,646 -0.053,647 -0.082,648 -0.068,649 -0.011,650 -0.056,651 -0.103,652 -0.124,653 -0.072,654 -0.125,655 0.175,656 -0.08,657 0.126,658 0.004,659 0.257,660 0.05,661 1.879,662 4.251,663 0.906,664 31.605,665 0.996,666 1.117,667 3.622,668 13.117,669 0.697,670 3.638,671 4.043,672 4.369,673 4.7,674 4.99,675 5.17,676 5.403,677 5.635,678 5.756,679 5.864,680 6.775,681 0.665,682 421.54,683 3.638,684 5.231,685 6.12,686 7.048,687 7.956,688 8.89,689 9.806,690 10.743,691 11.664,692 12.603,693 9.1,697 1,701 1,703 3,708 3,709 12,710 3,714 6,716 27,727 1,735 55,737 27,738 2,739 37,741 60,742 26,743 21,744 4,745 8,748 6,749 8,754 1,757 2,758 2,760 2,762 21,763 5,764 2,780 1,783 23,784 5,785 3,786 6,789 1,792 5,797 0.667,798 1,801 1,806 1,809 1,814 1,815 1,816 4,819 1,820 1,841 1,843 4,847 1,851 32,852 1,857 1,858 2,863 1,865 1,874 1.8,875 1,881 15.417,882 10.167,883 6.639,884 3.29,886 5.17,887 1.593,888 1.024,889 4.242,890 13.889,891 3.942,892 4.647,893 5.333,894 6.019,895 6.663,896 7.119,897 7.679,898 8.237,899 8.717,900 9.154,901 0.875,902 54,903 11.835,905 5.29,906 7.612,907 22.905,909 20.052,911 2.112,912 67.583,915 1,916 235.422,917 150.153,918 84.54,920 42.683,923 150.153,924 278.105,925 84.54,926 8.825,927 5.069,928 179.39,929 64.456,930 26.936,931 16.243,932 211.88,934 235.422,935 234.694,936 42.683,939 153.024,940 82.398,941 42.683,943 34.214,944 150.123,945 50.357,947 235.422,948 127.224,949 150.153,952 235.422,953 28.471,954 122.969,956 125.937,957 235.422,958 127.224,959 150.153,961 0.6,962 0.35,963 0.195,964 0.11,965 32,966 13,967 0.05,968 3,969 2,970 1.138,971 4.31,972 323.087,973 0.138,974 29,975 152,981 19.271,982 7.044,983 3.247,984 2.77,985 125.937,986 24.095,987 14.214,991 5.124,993 75.581,994 512.799,995 50.5,1007 54.789,1008 61.438,1009 0.252,1010 0.645,1011 0.8,1012 0.899,1013 0.922,1014 0.922,1015 5.214,1016 1.693,1017 6.155,1018 5.166,1019 4.727,1020 5.335,1022 7.057,1023 4.663,1024 6.469,1025 1.601,1026 7.768,1027 4.684,1028 4.511,1029 5.263,1031 8.215,1032 4.396,1033 7.82,1034 1.494,1035 9.485,1036 4.429,1037 6.457,1038 7.664,1040 11.317,1041 6.326,1042 9.208,1043 1.177,1044 11.264,1045 3.928,1046 7.048,1047 8.422,1049 13.27,1050 6.863,1051 10.627,1052 1.053,1053 13.081,1054 2.941,1055 8.503,1056 10.306,1058 15.93,1059 8.298,1060 12.068,1061 1,1062 14.924,1063 2.706,1064 9.44,1065 11.465,1067 18.191,1068 9.182,1069 13.527,1070 0.842,1071 16.785,1072 2.283,1073 10.72,1074 13.136,1076 20.717,1077 10.434,1078 3.429,1079 0.663,1080 18.66,1081 2.136,1082 11.806,1083 14.493,1085 23.104,1086 11.47,1087 3.239,1088 12.271,1089 20.545,1090 1.663,1091 13.026,1092 16.076,1094 25.591,1095 12.655,1096 3.004,1097 11.435,1098 22.438,1099 4.739,1100 14.176,1101 17.528,1103 28.032,1104 13.759,1105 2.706,1106 9.677,1107 24.338,1108 4.384,1109 15.378,1110 19.078,1112 30.511,1113 14.923,1114 2.451,1115 8.906,1116 26.244,1117 3.701,1118 16.558,1119 20.575,1121 32.977,1122 16.058,1123 2.342,1124 8.449,1125 28.154,1126 3.423,1127 17.758,1128 22.114,1130 35.458,1131 17.217,1132 1.821,1133 7.497,1134 30.069,1135 3.241,1136 18.952,1137 23.633,1139 37.935,1140 18.367,1141 13360,1142 20503,1143 25.255,1144 38.336,1145 57.993,1146 56.881,1147 58.516,1148 57.135,1149 57.027,1150 77.474,1152 176.341,1153 55.156,1154 5.774,1155 5.595,1156 6.883,1157 5.457,1158 5.429,1159 7.739,1161 19.838,1162 5.291,1163 13.079,1164 1.567,1165 1.537,1166 1.582,1167 1.544,1168 1.541,1169 2.094,1171 4.766,1172 1.491,1173 4.191,1174 4.232,1175 4.165,1176 4.083,1177 6.448,1178 4.096,1179 4.038,1180 4.071,1181 4.002,1182 3.934,1183 5.229,1184 3.947,1185 3.866,1186 3.9,1187 3.789,1188 3.805,1189 4.999,1190 3.797,1191 3.824,1192 3.862,1193 3.738,1194 3.705,1195 4.81,1196 3.71,1197 3.437,1198 3.481,1199 3.37,1200 3.345,1201 4.702,1202 3.345,1203 3.248,1204 3.324,1205 3.17,1206 3.051,1207 4.424,1208 3.068,1209 3.083,1210 3.161,1211 2.974,1212 2.929,1213 4.253,1214 2.93,1215 3,1216 3.1,1217 2.871,1218 2.835,1219 4.074,1220 2.836,1221 0.129,1222 0.097,1223 0.191,1224 0.119,1225 0.093,1226 4.774,1227 0.128,1228 3.595,1230 7.082,1231 0.332,1232 4.388,1233 0.089,1234 3.429,1235 4.739,1237 12.271,1238 3.291,1239 2.066,1240 2.044,1241 2.133,1242 2.144,1243 1.488,1244 2.141,1245 1.947,1246 1.906,1247 2.096,1248 2.104,1249 1.256,1250 2.098,1251 1.88,1252 1.853,1253 1.993,1254 1.986,1255 1.08,1256 1.984,1257 1.788,1258 1.745,1259 1.883,1260 1.926,1261 0.976,1262 1.933,1263 1.47,1264 1.433,1265 1.601,1266 1.602,1267 0.695,1268 1.601,1269 1.229,1270 1.172,1271 1.504,1272 1.446,1273 0.609,1274 1.457,1275 1.062,1276 0.994,1277 1.316,1278 1.305,1279 0.363,1280 1.331,1281 0.973,1282 0.906,1283 1.205,1284 1.2,1285 0.325,1286 1.205,1287 4.317,1289 5.727,1290 2.398,1291 7.331,1292 4.844,1293 9.017,1294 7.081,1295 10.745,1297 1.87,1301 6.296,1302 10.251,1303 1.376,1308 0.191,1310 -0.629,1314 36.563,1315 80.112,1316 204.981,1317 254.491,1318 285.71,1319 293.22,1320 293.22,1321 47.749,1322 8.719,1323 89.33,1324 89.33,1325 33,1326 13.102,1327 4.807,1328 3.858,1329 41.266,1330 129,1331 138,1332 0.155,1333 218.65,1334 361.81,1335 525.266,1336 79442,1338 21.872,1339 0.683,1340 0.554,1341 21.872,1342 17.733,1343 15.483,1344 0.418,1345 0.292,1346 10.704,1347 15.104,1348 10.433,1349 8.6,1350 15.483,1351 10.799,1352 15.11,1353 0.27,1354 0.159,1355 15.11,1356 8.922,1357 12.788,1358 0.164,1359 0.082,1360 12.788,1361 6.383,1362 11.324,1363 0.104,1364 0.043,1365 11.324,1366 4.651,1367 9.484,1368 0.065,1369 0.021,1370 9.484,1371 3.091,1372 0.241,1373 95.495,1374 0.199,1375 29.523,1376 0.436,1377 186,1378 444.042,1379 198.482,1380 446.827,1381 638.41,1382 420,1383 227,1384 500.847,1385 240.428,1386 512.458,1387 759.31,1388 485,1389 5.1}
{0 CHEMBL1996390,1 1.65,2 7,3 2.955,4 8.734,5 70.958,6 9.456,7 0.8,8 3.431,9 3.495,10 3.263,11 3.164,12 4.699,13 3.119,14 3.858,15 3.939,16 3.661,17 3.559,18 5.227,19 3.483,20 4.039,21 4.162,22 3.695,23 3.593,24 5.234,25 3.507,26 4.021,27 4.17,28 3.486,29 3.487,30 5.21,31 3.404,32 3.94,33 4.115,34 3.376,35 3.374,36 5.114,37 3.283,38 3.869,39 4.024,40 3.272,41 3.211,42 5.247,43 3.113,44 3.574,45 3.772,46 2.708,47 2.795,48 4.815,49 2.659,50 3.155,51 3.335,52 2.154,53 2.126,54 4.617,55 2.085,56 0.047,57 0.309,58 3.407,59 2.258,60 7.416,61 2.292,62 0.154,63 0.504,64 5.927,65 3.674,66 28.455,67 3.796,68 0.138,69 0.641,70 12.569,71 5.436,72 14.935,73 5.495,74 0.126,75 0.616,76 10.073,77 4.926,78 22.452,79 5.391,80 0.117,81 0.606,82 10.327,83 4.634,84 16.228,85 5.197,86 0.227,87 0.565,88 10.738,89 4.512,90 29.617,91 4.454,92 0.137,93 0.424,94 9.904,95 3.8,96 19.204,97 3.844,98 0.139,99 0.253,100 6.391,101 2.379,102 22.963,103 2.09,104 6,105 28,106 0.314,107 0.599,108 0.735,109 0.83,110 0.85,111 0.85,112 2.962,113 0.935,114 -3.44,115 -3.42,116 -3.27,119 51.9,142 6,143 3,145 2,152 2,158 1,167 1,170 1,172 9,175 1,178 1,183 12,184 2,188 5,193 2,196 9,197 1,200 4,205 1,208 6,209 1,213 3,214 1,218 1,221 5,222 1,224 1,225 2,228 1,230 1,233 3,234 2,238 2,243 2,246 1,247 2,250 2,255 2,259 1,264 1,269 1,276 334,277 12.276,278 12.276,279 12.276,280 12.276,281 12.276,282 10.314,283 2.278,284 7.31,285 12.504,286 9.894,287 9.894,288 9.894,289 9.894,290 9.894,291 6.958,292 1.651,293 3.472,294 10.297,295 3.105,296 1.611,297 0.899,298 0.398,299 0.296,300 0.296,301 3.64,305 1,306 1,307 271,308 2.345,311 32.413,312 89.473,315 62.347,319 1,320 16.45,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 38.5,332 126,333 4.626,334 3.59,335 6.727,336 4.154,337 3.187,338 4.572,339 1.437,340 10.991,341 3.09,342 4.075,343 3.12,344 6.002,345 3.666,346 2.706,347 3.632,349 8.541,350 2.573,351 3.745,352 2.527,353 5.59,354 3.298,355 2.318,356 3.175,358 7.075,359 2.254,360 3.254,361 1.857,362 4.673,363 2.74,364 1.772,365 2.601,367 4.764,368 1.704,369 2.997,370 1.68,371 4.074,372 2.443,373 1.493,374 2.216,376 3.583,377 1.41,378 2.712,379 1.343,380 3.685,381 2.193,382 1.226,383 1.811,385 2.822,386 1.175,387 2.543,388 1.216,389 3.53,390 2,391 1,392 1.5,394 2.454,395 1,396 2.5,397 1,398 3.247,399 1.943,400 1,401 1.466,403 2.136,404 0.914,405 1.956,406 0.471,407 3.211,408 1.369,409 0.47,410 0.694,412 1.268,413 0.414,414 1.015,415 0.426,416 2.465,417 0.542,418 -0.412,419 -0.568,421 -1.002,422 -0.389,423 0.6,424 -0.403,425 2.235,426 0.09,427 -0.895,428 -1.203,430 -2,431 -0.859,432 0.5,433 -0.87,434 2,436 -1,437 -1.396,439 -2.081,440 -0.912,441 0.5,442 -1,443 1.756,444 -0.002,445 -1,446 -1.5,448 -2.347,449 -0.965,450 0.47,451 -1,452 1.555,453 -0.066,454 -1,455 -1.5,457 -2.874,458 -1,459 0.075,460 -1.15,461 1.37,462 -0.313,463 -1.256,464 -1.735,466 -3.986,467 -1.205,468 8.9,469 0.494,470 0.418,471 0.023,472 26.5,473 1.472,474 15.5,475 0.861,476 11,477 0.611,478 10.673,479 0.593,480 17.5,481 0.648,482 16.224,483 0.901,484 5.249,485 0.292,486 3.505,487 0.195,488 0.075,490 0.337,496 0.749,497 0.821,498 0.676,499 0.694,500 0.72,501 0.688,502 0.463,503 0.812,504 0.813,505 0.787,506 0.403,507 0.819,508 0.575,509 1.155,510 1.046,511 1.257,512 0.656,513 1.056,514 0.828,515 1.118,516 0.884,517 0.984,518 0.834,519 1.043,520 0.708,521 1.024,522 0.872,523 0.936,524 0.593,525 0.972,526 1.077,527 1.069,528 1.235,529 1.165,530 1.115,531 1.162,532 1.279,533 1.05,534 1.346,535 1.228,536 1.202,537 1.201,538 2.431,539 1.033,540 1.271,541 1.101,542 2.519,543 1.124,544 3,546 2,547 1.194,548 0.889,549 0.469,550 0.383,551 0.109,552 0.054,553 0.031,554 2623,555 8765,556 2.12,557 33.3,559 6,561 2,562 1,567 1.591,568 2,569 2.851,570 -0.28,574 1,577 44.55,578 1.65,579 3.143,580 3.856,581 4.357,582 4.459,583 4.459,584 2.241,585 3.17,586 4.141,587 2.922,588 447.05,589 7.052,590 4097.2,591 1,592 1,594 1,595 128.382,596 1.352,597 4.109,598 0.15,600 0.071,601 0.044,602 0.037,603 0.022,604 0.023,605 0.012,606 0.011,607 0.016,608 0.386,609 0.83,610 1,611 0.816,612 74.66,613 -0.09,614 0.06,615 0.025,616 0.116,617 -0.115,618 0.077,619 0.176,620 0.121,621 0.024,622 0.103,623 0.198,624 -0.008,625 0.087,626 -0.221,627 0.012,628 -0.235,629 0.005,630 -0.106,631 -0.049,632 -0.188,633 -0.037,634 -0.094,635 -0.071,636 -0.094,637 -0.01,638 -0.023,639 0.04,640 -0.015,641 0.037,642 0.023,643 0.079,644 -0.037,645 -0.163,646 -0.146,647 0.022,648 -0.19,649 -0.142,650 -0.045,651 -0.159,652 -0.126,653 -0.044,654 -0.09,655 -0.398,656 -0.085,657 -0.194,658 -0.063,659 -0.303,660 -0.053,661 2.56,662 4.008,663 0.833,664 10.519,665 1.014,666 1.093,667 2.208,668 4.877,669 0.763,670 3.045,671 3.367,672 3.664,673 3.951,674 4.19,675 4.248,676 4.317,677 4.357,678 4.234,679 4.143,680 4.292,681 0.731,682 255.31,683 3.045,684 4.575,685 5.434,686 6.319,687 7.204,688 8.098,689 8.993,690 9.891,691 10.789,692 11.688,693 3.7,703 1,708 2,709 8,710 1,713 1,714 3,716 16,725 1,735 27,737 17,738 1,739 20,741 29,742 14,743 13,744 1,745 5,746 1,748 3,749 4,762 14,767 1,772 1,776 1,780 1,783 9,784 3,785 1,786 4,787 1,792 1,797 0.667,798 2,809 1,815 1,816 2,819 1,841 1,843 2,845 1,851 18,857 1,869 1,874 7.4,876 1,877 1,881 9,882 4.9,883 3.944,884 1.503,886 3.253,887 1.497,888 1.002,889 2.746,890 9.803,891 3.401,892 4.056,893 4.722,894 5.388,895 5.977,896 6.344,897 6.78,898 7.198,899 7.377,900 7.651,901 0.8,902 27,903 6.612,905 2.859,906 7.935,907 12.407,909 10.256,911 2.435,912 43.833,913 0.001,916 94.169,917 118.188,918 16.786,920 67.828,922 31.278,923 86.911,924 161.997,925 16.786,928 56.857,929 109.066,930 27.039,931 2.104,932 101.904,934 94.169,935 103.696,936 67.828,937 31.278,939 94.169,940 67.828,943 18.095,944 68.816,945 16.786,946 31.278,947 94.169,948 84.614,949 118.188,952 94.169,953 43.236,954 74.952,956 84.614,957 94.169,958 84.614,959 118.188,961 0.579,962 0.341,963 0.189,964 0.11,965 15,966 6,967 0.069,968 2,969 1,970 1.133,971 3.035,972 133.8,973 0.133,974 15,975 71.059,977 1,981 11.209,982 4.409,983 2,984 1.84,985 84.614,986 15.051,987 4.179,990 1.252,991 2.359,993 42.683,994 296.971,995 29,1000 11.008,1004 -0.893,1007 27.367,1008 29.498,1009 0.347,1010 0.661,1011 0.811,1012 0.916,1013 0.938,1014 0.938,1015 4.605,1016 1,1017 5.416,1018 2.454,1019 4.043,1020 4.741,1021 1.635,1022 6.244,1023 3.965,1024 5.835,1025 0.47,1026 6.982,1027 2.136,1028 3.611,1029 4.543,1031 7.186,1032 3.501,1033 7.151,1034 -0.412,1035 8.654,1036 1.268,1037 5.638,1038 7.032,1039 2.253,1040 10.317,1041 5.494,1042 8.511,1043 -0.895,1044 10.39,1045 -1.002,1046 6.066,1047 7.724,1049 12.12,1050 5.882,1051 9.905,1052 -1,1053 12.166,1054 -2,1055 7.555,1056 9.646,1057 2.922,1058 14.758,1059 7.347,1060 11.325,1061 -1,1062 13.969,1063 -2.081,1064 8.373,1065 10.766,1067 16.9,1068 8.124,1069 12.766,1070 -1,1071 15.792,1072 -2.347,1073 9.647,1074 12.449,1075 3.619,1076 19.374,1077 9.376,1078 3.187,1079 -1.256,1080 17.629,1081 -2.874,1082 10.644,1083 13.779,1085 21.659,1086 10.335,1087 2.706,1088 10.991,1089 19.477,1090 -3.986,1091 11.833,1092 15.361,1093 4.33,1094 24.078,1095 11.5,1096 2.318,1097 8.541,1098 21.333,1099 4.572,1100 12.912,1101 16.79,1103 26.424,1104 12.545,1105 1.772,1106 7.075,1107 23.195,1108 3.632,1109 14.071,1110 18.331,1111 5.047,1112 28.824,1113 13.679,1114 1.493,1115 4.764,1116 25.064,1117 3.175,1118 15.188,1119 19.808,1121 31.197,1122 14.764,1123 1.226,1124 3.583,1125 26.937,1126 2.601,1127 16.339,1128 21.333,1129 5.769,1130 33.593,1131 15.887,1132 1,1133 2.822,1134 28.814,1135 2.216,1136 17.474,1137 22.831,1139 35.978,1140 16.992,1141 2590,1142 4839,1143 13.523,1144 20.608,1145 30.719,1146 31.203,1147 31.077,1148 30.332,1149 30.344,1150 43.337,1151 2.873,1152 87.267,1153 29.068,1154 5.258,1155 5.59,1156 6.529,1157 5.26,1158 5.187,1159 7.572,1160 2.873,1161 18.194,1162 5.09,1163 7.099,1164 1.536,1165 1.56,1166 1.554,1167 1.517,1168 1.517,1169 2.167,1170 0.144,1171 4.363,1172 1.453,1173 4.102,1174 4.11,1175 4.338,1176 4.11,1177 7.475,1178 4.068,1179 3.825,1180 3.848,1181 3.826,1182 3.795,1183 6.351,1184 3.769,1185 3.441,1186 3.45,1187 3.446,1188 3.28,1189 4.966,1190 3.285,1191 3.01,1192 3.013,1193 3.131,1194 2.902,1195 4.695,1196 2.885,1197 2.953,1198 3,1199 2.876,1200 2.735,1201 4.26,1202 2.742,1203 2.854,1204 2.925,1205 2.687,1206 2.686,1207 3.765,1208 2.715,1209 2.577,1210 2.644,1211 2.554,1212 2.493,1213 3.674,1214 2.451,1215 2.133,1216 2.182,1217 2.224,1218 2.01,1219 3.336,1220 1.905,1221 0.231,1222 0.18,1223 0.336,1224 0.208,1225 0.159,1226 4.626,1227 0.229,1228 3.59,1229 0.072,1230 6.727,1231 0.55,1232 4.154,1233 0.155,1234 3.187,1235 4.572,1236 1.437,1237 10.991,1238 3.09,1239 1.983,1240 1.963,1241 2.064,1242 2.048,1243 1.193,1244 2.056,1245 1.734,1246 1.708,1247 1.829,1248 1.826,1249 0.928,1250 1.836,1251 1.503,1252 1.522,1253 1.467,1254 1.632,1255 0.671,1256 1.613,1257 0.963,1258 0.936,1259 1.181,1260 1.148,1261 0.268,1262 1.127,1263 0.886,1264 0.821,1265 1.139,1266 1.062,1267 0.218,1268 1.107,1269 0.828,1270 0.791,1271 0.996,1272 1.05,1273 0.018,1274 1.075,1275 0.658,1276 0.631,1277 0.908,1278 0.854,1280 0.9,1281 0.339,1282 0.293,1283 0.519,1284 0.571,1286 0.616,1287 3.714,1289 5.03,1290 2.398,1291 6.553,1292 4.727,1293 8.167,1294 6.862,1295 9.829,1302 9.037,1314 19.745,1315 44.55,1316 84.872,1317 104.117,1318 117.627,1319 120.382,1320 120.382,1321 24.059,1322 6.55,1323 50.19,1324 78.43,1325 17,1326 12.211,1327 4.17,1328 3.322,1329 25.575,1330 46,1331 42,1332 0.288,1333 125.382,1334 206.95,1335 297.691,1336 5053,1338 12.535,1339 0.696,1340 0.564,1341 12.889,1342 10.146,1343 8.754,1344 0.438,1345 0.312,1346 5.443,1347 8.094,1348 5.255,1349 4.348,1350 9.162,1351 6.234,1352 7.892,1353 0.282,1354 0.177,1355 8.535,1356 4.964,1357 6.646,1358 0.175,1359 0.1,1360 7.522,1361 3.8,1362 5.58,1363 0.109,1364 0.055,1365 6.409,1366 2.807,1367 4.665,1368 0.072,1369 0.029,1370 5.402,1371 1.899,1372 0.427,1373 58.261,1374 0.272,1375 17.664,1376 0.863,1377 96,1378 296.391,1379 127.439,1380 311.751,1381 422.29,1382 290,1383 114,1384 289.522,1385 143.759,1386 312.549,1387 457.99,1388 294,1389 5.1}
{0 CHEMBL1996500,1 1.72,2 10.067,3 3.455,4 11.935,5 108.951,6 8.209,7 0.667,8 4.036,9 4.156,10 3.673,11 3.54,12 5.258,13 3.555,14 4.546,15 4.72,16 4.09,17 3.914,18 5.8,19 3.93,20 4.794,21 4.975,22 4.14,23 4.039,24 6.074,25 4.035,26 4.883,27 5.135,28 4.133,29 4.038,30 6.139,31 4.018,32 4.729,33 4.922,34 4.148,35 4.053,36 5.944,37 4.037,38 4.79,39 4.983,40 4.203,41 4.092,42 6.094,43 4.086,44 4.848,45 5.043,46 4.119,47 4.082,48 6.132,49 4.047,50 4.852,51 5.102,52 3.869,53 3.909,54 6.072,55 3.827,56 0.133,57 0.931,58 8.556,59 4.147,60 15.206,61 4.98,62 0.341,63 1.456,64 17.013,65 6.799,66 31.056,67 8.555,68 0.692,69 1.763,70 23.673,71 8.318,72 80.372,73 9.818,74 0.92,75 1.888,76 30.476,77 8.589,78 112.431,79 12.016,80 0.527,81 1.672,82 21.578,83 8.118,84 46.402,85 10.743,86 0.597,87 1.828,88 22.625,89 7.899,90 53.794,91 10.214,92 0.589,93 1.924,94 24.72,95 9.457,96 55.126,97 11.792,98 0.843,99 1.69,100 29.447,101 9.631,102 89.719,103 12.88,104 40,105 49,106 0.287,107 0.662,108 0.82,109 0.86,110 0.86,111 0.86,112 3.441,113 0.847,114 -4.07,115 -4.02,116 -3.81,119 42,120 3,125 1,130 1,142 4,143 1,144 2,145 2,146 3,150 1,151 1,152 1,161 1,172 2,174 2,175 4,178 2,180 2,183 4,187 3,188 5,192 1,193 2,196 1,199 1,200 5,205 1,208 1,212 1,213 8,216 3,221 2,224 2,225 6,228 1,230 1,233 4,238 3,243 2,246 4,249 1,250 5,253 2,255 3,264 2,267 1,269 1,272 2,276 1598,277 19.602,278 19.602,279 19.602,280 19.602,281 19.602,282 16.973,283 15.053,284 11.229,285 20.164,286 16.298,287 16.298,288 16.298,289 16.298,290 16.298,291 12.348,292 17.95,293 5.351,294 17.302,295 3.924,296 1.674,297 0.725,298 0.485,299 0.485,300 0.485,301 4.131,305 1,306 1,307 643,308 3.606,311 59.977,312 245.201,315 117.648,319 1.413,320 44.076,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 67,332 302,333 4.774,334 3.411,335 7.084,336 4.315,337 3.365,338 4.727,339 0.4,340 12.286,341 3.201,342 4.26,343 3.35,344 6.398,345 4.055,346 3.104,347 3.942,349 9.963,350 2.942,351 4.14,352 3.132,353 6.36,354 3.816,355 2.86,356 3.725,358 9.573,359 2.724,360 4.06,361 2.787,362 6.047,363 3.636,364 2.694,365 3.222,367 8.599,368 2.542,369 3.74,370 2.703,371 5.422,372 3.299,373 2.367,374 3.083,376 7.034,377 2.194,378 3.495,379 2.484,380 5.178,381 3.073,382 2.142,383 2.841,385 6.231,386 1.98,387 3.182,388 2.047,389 4.937,390 2.733,391 1.795,392 2.434,394 5.311,395 1.68,396 3.115,397 1.892,398 4.748,399 2.615,400 1.695,401 2.378,403 4.817,404 1.544,405 2.889,406 1.491,407 4.168,408 2.375,409 1.435,410 2.056,412 3.57,413 1.341,414 2.709,415 1.322,416 4.039,417 2.208,418 1.258,419 1.802,421 3.161,422 1.192,423 2.585,424 1.148,425 3.599,426 2.054,427 1.1,428 1.626,430 2.646,431 1.045,432 2.184,433 0.884,434 3.464,435 1.675,436 0.743,437 1.05,439 1.974,440 0.69,441 1.762,442 0.81,443 3.318,444 1.552,445 0.63,446 0.697,448 1.513,449 0.579,450 1.361,451 0.41,452 2.87,453 0.972,454 0.05,455 0.063,457 0.124,458 0.045,459 1.059,460 0.235,461 2.529,462 0.634,463 -0.298,464 -0.386,466 -0.707,467 -0.275,468 13.805,469 0.46,470 1.032,471 0.034,472 41,473 1.367,474 20.5,475 0.683,476 20.5,477 0.683,478 25.475,479 0.849,480 32.395,481 0.648,482 33.488,483 1.116,484 8.06,485 0.269,486 6.166,487 0.206,488 0.174,489 0.036,490 0.355,494 2,496 0.713,497 1.197,498 0.689,499 1.086,500 0.662,501 0.928,502 0.699,503 1.023,504 0.625,505 0.942,506 0.587,507 0.799,508 1.224,509 1.119,510 1.097,511 1.021,512 1.208,513 1.029,514 0.829,515 0.77,516 0.796,517 0.642,518 0.654,519 0.667,520 0.618,521 0.962,522 0.776,523 0.969,524 0.583,525 0.927,526 0.794,527 0.925,528 0.91,529 0.938,530 0.654,531 0.935,532 0.967,533 1.23,534 1.089,535 1.287,536 0.973,537 1.242,538 0.925,539 1.013,540 1.105,541 1.152,542 1.02,543 1.185,544 7.5,545 0.277,546 3.556,547 2.542,548 2.189,549 1.393,550 0.874,551 0.742,552 0.487,553 0.36,554 10340,555 32814,556 2.04,557 40,559 6,560 1,561 2,562 2,563 3,564 6,567 1.736,568 1.865,569 3.246,570 0.276,572 1,577 86.006,578 1.72,579 3.97,580 4.919,581 5.159,582 5.159,583 5.159,584 2.689,585 4.415,586 4.874,587 3.458,588 1504.18,589 8.55,590 20170.6,592 1,594 1,595 282.193,596 1.679,597 4.809,598 0.227,599 0.014,600 0.073,601 0.052,602 0.045,603 0.027,604 0.016,605 0.016,606 0.015,607 0.013,608 0.498,609 0.33,610 1,611 1.119,612 151.054,613 -0.079,614 -0.193,615 0.027,616 -0.061,617 -0.1,618 -0.003,619 0.032,620 -0.066,621 0.205,622 0.035,623 0.065,624 0.137,625 -0.177,626 -0.106,627 -0.19,628 -0.062,629 -0.18,630 -0.124,631 0.045,632 0.146,633 0.201,634 0.281,635 0.13,636 0.299,637 0.084,638 -0.025,639 0.08,640 0.006,641 0.034,642 0.03,643 -0.012,644 0.059,645 -0.051,646 -0.002,647 0.027,648 -0.025,649 -0.045,650 -0.184,651 -0.183,652 -0.287,653 -0.052,654 -0.282,655 0.074,656 -0.037,657 -0.077,658 -0.172,659 -0.008,660 -0.18,661 2.389,662 6.614,663 0.7,664 27.951,665 1.021,666 1.144,667 2.842,668 8.078,669 0.669,670 3.526,671 3.912,672 4.159,673 4.489,674 4.787,675 4.963,676 5.136,677 5.313,678 5.407,679 5.434,680 6.142,681 0.656,682 410.47,683 3.526,684 5.106,685 5.964,686 6.878,687 7.764,688 8.686,689 9.588,690 10.514,691 11.426,692 12.355,693 12,698 1,701 1,703 4,708 1,709 7,710 4,714 8,716 22,728 1,734 2,735 50,737 22,738 1,739 33,741 53,742 21,743 16,744 3,745 3,748 4,749 5,754 3,762 16,763 5,764 1,780 1,781 2,783 20,784 8,785 2,786 9,789 1,792 6,797 0.75,798 1,801 1,806 1,810 1,815 1,816 3,819 1,841 1,843 3,847 3,849 2,851 30,857 1,858 1,860 1,865 1,873 2,874 2,875 1,881 16.083,882 10.069,883 6.319,884 2.846,886 4.311,887 1.547,888 0.961,889 5.126,890 12.187,891 3.807,892 4.491,893 5.12,894 5.804,895 6.432,896 6.891,897 7.4,898 7.922,899 8.31,900 8.665,901 0.857,902 49,903 11.149,905 4.915,906 8.042,907 20.518,909 16.796,911 2.542,912 76.25,914 1,915 1,916 211.88,917 129.698,918 86.439,920 42.683,921 29.92,923 129.698,924 254.563,925 116.36,926 26.476,927 2.106,928 89.636,929 110.41,930 49.079,931 46.347,932 176.567,934 211.88,935 216.137,936 72.604,939 171.173,940 70.627,941 42.683,943 59.847,944 71.137,945 85.153,947 241.8,948 129.123,949 129.698,952 211.88,953 38.175,954 92.809,955 18.011,956 139.746,957 211.88,958 159.043,959 129.698,961 0.598,962 0.327,963 0.179,964 0.108,965 25,966 12,967 0.094,968 5,969 1,970 1.095,971 3.917,972 283.147,973 0.095,974 21,975 145.207,981 20.18,982 7.62,983 4.129,984 0.538,985 157.756,986 9.937,987 17.534,991 1.048,993 60.694,994 500.62,995 44,1007 51.032,1008 57.2,1009 0.305,1010 0.703,1011 0.871,1012 0.914,1013 0.914,1014 0.914,1015 5.072,1016 1.695,1017 6.009,1018 5.311,1019 4.595,1020 5.179,1021 0.278,1022 6.887,1023 4.478,1024 6.334,1025 1.435,1026 7.613,1027 4.817,1028 4.443,1029 5.156,1031 8.046,1032 4.263,1033 7.68,1034 1.258,1035 9.321,1036 3.57,1037 6.297,1038 7.48,1039 0.05,1040 11.09,1041 6.076,1042 9.061,1043 1.1,1044 11.088,1045 3.161,1046 6.899,1047 8.241,1049 13.026,1050 6.619,1051 10.471,1052 0.743,1053 12.892,1054 2.646,1055 8.306,1056 10.093,1057 0.008,1058 15.669,1059 7.986,1060 11.902,1061 0.63,1062 14.722,1063 1.974,1064 9.228,1065 11.243,1067 17.916,1068 8.853,1069 13.352,1070 0.05,1071 16.571,1072 1.513,1073 10.477,1074 12.9,1075 0.001,1076 20.439,1077 10.06,1078 3.365,1079 -0.298,1080 18.434,1081 0.124,1082 11.541,1083 14.25,1085 22.821,1086 11.07,1087 3.104,1088 12.286,1089 20.309,1090 -0.707,1091 12.736,1092 15.828,1094 25.312,1095 12.22,1096 2.86,1097 9.963,1098 22.193,1099 4.727,1100 13.863,1101 17.278,1103 27.756,1104 13.296,1105 2.694,1106 9.573,1107 24.086,1108 3.942,1109 15.044,1110 18.827,1112 30.243,1113 14.429,1114 2.367,1115 8.599,1116 25.985,1117 3.725,1118 16.201,1119 20.326,1121 32.716,1122 15.536,1123 2.142,1124 7.034,1125 27.891,1126 3.222,1127 17.381,1128 21.868,1130 35.207,1131 16.668,1132 1.795,1133 6.231,1134 29.801,1135 3.083,1136 18.554,1137 23.391,1139 37.695,1140 17.791,1141 10099,1142 18168,1143 21.383,1144 33.455,1145 51.18,1146 51.337,1147 52.31,1148 50.539,1149 50.476,1150 67.294,1151 0.8,1152 153.606,1153 47.399,1154 5.62,1155 5.411,1156 6.634,1157 5.389,1158 5.365,1159 7.727,1160 0.8,1161 19.882,1162 5.201,1163 17.724,1164 1.551,1165 1.556,1166 1.585,1167 1.531,1168 1.53,1169 2.039,1170 0.024,1171 4.655,1172 1.436,1173 4.161,1174 4.206,1175 4.145,1176 4.014,1177 8.211,1178 4.041,1179 3.866,1180 3.895,1181 3.833,1182 3.762,1183 8.191,1184 3.775,1185 3.822,1186 3.883,1187 3.769,1188 3.637,1189 6.449,1190 3.66,1191 3.675,1192 3.727,1193 3.559,1194 3.523,1195 5.12,1196 3.524,1197 3.324,1198 3.391,1199 3.26,1200 3.153,1201 4.94,1202 3.17,1203 3.158,1204 3.234,1205 3.007,1206 3.004,1207 4.558,1208 2.993,1209 3.092,1210 3.191,1211 2.926,1212 2.85,1213 4.329,1214 2.857,1215 2.904,1216 3.009,1217 2.864,1218 2.733,1219 4.139,1220 2.735,1221 0.145,1222 0.103,1223 0.215,1224 0.131,1225 0.102,1226 4.774,1227 0.143,1228 3.411,1229 0.012,1230 7.084,1231 0.372,1232 4.315,1233 0.097,1234 3.365,1235 4.727,1236 0.4,1237 12.286,1238 3.201,1239 1.923,1240 1.895,1241 1.988,1242 2.085,1243 1.151,1244 2.056,1245 1.864,1246 1.824,1247 1.948,1248 1.996,1249 1.11,1250 1.982,1251 1.75,1252 1.698,1253 1.935,1254 1.95,1255 1.026,1256 1.942,1257 1.655,1258 1.607,1259 1.802,1260 1.836,1261 0.826,1262 1.835,1263 1.318,1264 1.267,1265 1.548,1266 1.515,1267 0.605,1268 1.523,1269 1.114,1270 1.037,1271 1.417,1272 1.366,1273 0.53,1274 1.39,1275 1.054,1276 0.961,1277 1.409,1278 1.303,1279 0.469,1280 1.308,1281 0.934,1282 0.804,1283 1.263,1284 1.239,1285 0.349,1286 1.302,1287 4.205,1289 5.572,1290 2.398,1291 7.12,1292 4.844,1293 8.754,1294 7.081,1295 10.435,1297 5.131,1299 28.079,1302 9.938,1303 0.242,1305 2.987,1310 -0.951,1314 32.824,1315 86.006,1316 198.488,1317 245.928,1318 257.928,1319 257.928,1320 257.928,1321 68.645,1322 7.876,1323 88.23,1324 88.23,1325 23,1326 12.861,1327 4.524,1328 3.585,1329 46.629,1330 104,1331 118,1332 0.212,1333 200.52,1334 339.35,1335 481.03,1336 27656,1337 4,1338 21.466,1339 0.716,1340 0.556,1341 19.725,1342 16.688,1343 14.226,1344 0.431,1345 0.282,1346 9.144,1347 13.511,1348 8.853,1349 7.36,1350 13.422,1351 9.316,1352 14.164,1353 0.289,1354 0.155,1355 13.003,1356 7.571,1357 10.729,1358 0.17,1359 0.071,1360 9.936,1361 4.482,1362 9.265,1363 0.105,1364 0.035,1365 8.549,1366 3.088,1367 7.83,1368 0.066,1369 0.018,1370 7.459,1371 2.146,1372 0.323,1373 90.305,1374 0.216,1375 27.677,1376 0.618,1377 164,1378 598.93,1379 186.669,1380 531.129,1381 715.67,1382 494,1383 194,1384 529.824,1385 216.079,1386 524.19,1387 770.18,1388 492,1389 5.1}
{0 CHEMBL1996543,1 1.527,2 12.407,3 3.785,4 14.325,5 103.791,6 7.69,7 0.733,8 3.955,9 4.071,10 3.55,11 3.542,12 5.107,13 3.525,14 4.45,15 4.597,16 3.886,17 3.925,18 5.568,19 3.888,20 4.713,21 4.911,22 3.895,23 4.022,24 5.801,25 3.946,26 4.742,27 4.976,28 3.745,29 3.956,30 5.7,31 3.853,32 4.657,33 4.894,34 3.699,35 3.867,36 5.637,37 3.767,38 4.646,39 4.886,40 3.644,41 3.779,42 5.693,43 3.687,44 4.55,45 4.806,46 3.509,47 3.664,48 5.594,49 3.568,50 4.352,51 4.581,52 3.445,53 3.594,54 5.425,55 3.495,56 0.035,57 0.729,58 8.908,59 4.207,60 10.644,61 5.209,62 0.099,63 1.156,64 15.971,65 7.097,66 20.537,67 8.832,68 0.319,69 1.437,70 23.512,71 9.43,72 44.748,73 12.049,74 0.272,75 1.396,76 25.776,77 9.813,78 40.433,79 12.994,80 0.196,81 1.273,82 23.148,83 8.717,84 33.133,85 11.977,86 0.32,87 1.26,88 23.655,89 8.237,90 43.575,91 11.022,92 0.357,93 1.176,94 22.638,95 7.86,96 50.565,97 10.379,98 0.271,99 0.951,100 17.222,101 6.703,102 35.517,103 9.054,104 5,105 41,106 0.257,107 0.607,108 0.784,109 0.879,110 0.886,111 0.886,112 3.339,113 0.883,114 -3.93,115 -3.89,116 -3.69,119 46.8,121 1,125 1,127 1,142 9,143 4,144 2,145 2,151 1,152 1,163 1,164 1,165 1,172 12,175 2,180 4,183 13,185 1,187 1,188 4,190 1,191 1,193 4,196 11,198 1,200 4,205 2,208 5,210 1,213 5,217 1,218 2,220 1,221 2,223 2,225 4,227 1,228 2,230 3,233 2,235 3,238 3,243 2,246 3,248 2,250 2,255 3,258 5,260 2,264 1,267 1,269 3,272 8,274 2,276 1105,277 18.516,278 18.516,279 18.516,280 18.516,281 18.516,282 15.922,283 10.219,284 11.058,285 18.83,286 14.835,287 14.835,288 14.835,289 14.835,290 14.835,291 11.032,292 8.602,293 5.289,294 15.375,295 4.028,296 1.956,297 0.905,298 0.34,299 0.298,300 0.298,301 4.04,304 1,305 1,306 1,307 739,308 3.082,311 63.669,312 259.608,315 118.922,319 1.874,320 23.688,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 58,332 335,333 4.527,334 3.162,335 6.533,336 4.058,337 3.072,338 4.474,339 0.86,340 10.301,341 3.03,342 4.281,343 3.025,344 6.173,345 3.894,346 2.907,347 3.94,349 9.19,350 2.872,351 3.867,352 2.889,353 5.367,354 3.445,355 2.502,356 3.42,358 6.992,359 2.353,360 3.562,361 2.641,362 5.257,363 3.308,364 2.344,365 2.866,367 6.573,368 2.256,369 3.486,370 2.422,371 5.019,372 3.11,373 2.167,374 2.801,376 6.004,377 2.024,378 3.135,379 1.981,380 4.796,381 2.817,382 1.837,383 2.319,385 5.2,386 1.797,387 3.045,388 1.622,389 4.254,390 2.518,391 1.546,392 2.235,394 3.898,395 1.501,396 2.883,397 1.546,398 4.144,399 2.404,400 1.459,401 2.031,403 3.704,404 1.37,405 2.618,406 1.224,407 3.582,408 2.144,409 1.156,410 1.671,412 2.748,413 1.14,414 2.589,415 1.155,416 3.486,417 2.047,418 1.106,419 1.631,421 2.547,422 1.037,423 2.5,424 1,425 3.414,426 2,427 1,428 1.5,430 2.275,431 1,432 2.086,433 0.988,434 3.21,435 1.627,436 0.687,437 0.922,439 1.609,440 0.642,441 1.687,442 0.677,443 3.019,444 1.402,445 0.498,446 0.586,448 1.151,449 0.447,450 1.177,451 0.343,452 2.559,453 0.773,454 -0.15,455 -0.189,457 -0.333,458 -0.134,459 0.937,460 -0.112,461 2.498,462 0.652,463 -0.314,464 -0.372,466 -0.815,467 -0.302,468 12.819,469 0.475,470 0.571,471 0.021,472 37.5,473 1.389,474 20.5,475 0.759,476 17,477 0.63,478 19.072,479 0.706,480 27.981,481 0.595,482 26.475,483 0.981,484 7.614,485 0.282,486 5.573,487 0.206,488 0.053,490 0.312,494 1,496 0.752,497 0.961,498 0.757,499 0.92,500 0.688,501 0.847,502 0.915,503 1.027,504 0.905,505 1.029,506 0.679,507 0.978,508 1.018,509 0.999,510 1.06,511 1.055,512 0.945,513 1.067,514 0.993,515 0.928,516 1.037,517 1.011,518 0.798,519 1.03,520 0.707,521 0.932,522 0.963,523 1.079,524 0.519,525 1.064,526 1.037,527 0.919,528 1.069,529 1.025,530 0.762,531 1.041,532 1.219,533 0.85,534 1.004,535 0.866,536 1.088,537 0.891,538 0.644,539 0.959,540 0.9,541 1.017,542 0.609,543 1.011,544 5,545 0.136,546 2.889,547 1.417,548 1.022,549 0.757,550 0.36,551 0.326,552 0.202,553 0.115,554 10329,555 27757,556 2.142,557 42.6,559 12,560 1,561 2,562 3,564 2,567 1.695,568 2.051,569 3.594,570 0.872,572 1,577 71.765,578 1.527,579 3.599,580 4.65,581 5.214,582 5.257,583 5.257,584 3.056,585 4.459,586 4.73,587 3.749,588 1315.98,589 8.178,590 17656.3,592 1,594 1,595 261.066,596 1.218,597 4.706,598 0.167,599 0.006,600 0.07,601 0.036,602 0.031,603 0.024,604 0.013,605 0.013,606 0.008,607 0.005,608 0.375,609 0.33,610 1,611 0.454,612 136.561,613 -0.062,614 0.028,615 0.029,616 0.052,617 -0.088,618 0.062,619 -0.084,620 -0.07,621 -0.056,622 -0.053,623 -0.015,624 -0.049,625 -0.013,626 -0.035,627 -0.116,628 -0.077,629 -0.034,630 -0.11,631 -0.09,632 -0.056,633 -0.056,634 -0.036,635 -0.061,636 -0.039,637 0.011,638 -0.122,639 -0.005,640 -0.129,641 0.032,642 -0.082,643 -0.019,644 -0.057,645 -0.061,646 -0.094,647 0.012,648 -0.086,649 -0.035,650 0.092,651 0.052,652 0.103,653 -0.012,654 0.095,655 0.197,656 -0.089,657 0.071,658 -0.033,659 0.154,660 -0.012,661 1.928,662 5.088,663 0.778,664 24.881,665 1.002,666 1.123,667 2.703,668 7.306,669 0.686,670 3.434,671 3.738,672 3.989,673 4.234,674 4.431,675 4.407,676 4.477,677 4.522,678 4.477,679 4.522,680 7.201,681 0.658,682 361.45,683 3.434,684 4.963,685 5.802,686 6.666,687 7.52,688 8.387,689 9.247,690 10.115,691 10.977,692 11.846,693 6.4,694 1,701 1,703 1,708 2,709 12,710 1,711 1,714 5,716 22,733 1,734 1,735 47,737 22,738 2,739 30,741 50,742 22,743 19,744 4,745 8,748 4,749 5,760 2,762 19,763 3,780 1,781 1,783 20,784 4,785 3,786 5,792 3,797 0.75,798 1,809 1,811 1,815 1,816 3,819 1,836 1,843 3,849 1,851 27,852 1,858 2,861 1,863 1,873 1,874 2.1,879 1,881 13.167,882 8.176,883 5.917,884 2.669,886 4.076,887 1.545,888 1.025,889 5.079,890 11.557,891 3.738,892 4.36,893 4.967,894 5.565,895 6.074,896 6.254,897 6.603,898 6.904,899 6.894,900 7.107,901 1,902 39,903 9.958,905 4.25,906 7.759,907 19.004,909 15.683,911 2.259,912 61,915 1,916 200.109,917 148.194,918 66.468,920 11,921 14.96,923 148.194,924 211.109,925 81.428,927 40.024,928 94.334,929 40.328,930 72.374,931 28.875,932 164.795,934 200.109,935 214.662,936 25.96,939 191.527,940 34.542,943 74.904,944 122.972,945 16.786,947 215.069,948 77.468,949 148.194,952 200.109,953 35.765,954 112.428,955 16.786,956 75.643,957 200.109,958 92.428,959 148.194,961 0.577,962 0.331,963 0.18,964 0.1,965 20,966 8,967 0.12,968 6,969 1,970 1.095,971 4.068,972 223.402,973 0.095,974 21,975 124.382,981 17.564,982 7.808,983 4.12,984 2.296,985 75.643,986 21.744,987 4.213,988 3.264,991 3.323,993 49.683,994 440.731,995 41,1007 47.098,1008 52.781,1009 0.275,1010 0.648,1011 0.837,1012 0.939,1013 0.946,1014 0.946,1015 4.945,1016 1.459,1017 5.765,1018 3.898,1019 4.419,1020 5.047,1021 0.908,1022 6.532,1023 4.353,1024 6.147,1025 1.156,1026 7.292,1027 3.704,1028 3.892,1029 4.745,1031 7.334,1032 3.802,1033 7.44,1034 1.106,1035 8.917,1036 2.748,1037 5.969,1038 7.273,1039 0.739,1040 10.415,1041 5.858,1042 8.772,1043 1,1044 10.601,1045 2.547,1046 6.275,1047 7.851,1049 12.088,1050 6.15,1051 10.136,1052 0.687,1053 12.326,1054 2.275,1055 7.793,1056 9.807,1057 0.593,1058 14.665,1059 7.652,1060 11.526,1061 0.498,1062 14.078,1063 1.609,1064 8.5,1065 10.828,1067 16.705,1068 8.353,1069 12.935,1070 -0.15,1071 15.852,1072 1.151,1073 9.777,1074 12.524,1075 0.469,1076 19.108,1077 9.617,1078 3.072,1079 -0.314,1080 17.643,1081 -0.333,1082 10.685,1083 13.775,1085 21.305,1086 10.521,1087 2.907,1088 10.301,1089 19.447,1090 -0.815,1091 11.856,1092 15.35,1093 0.366,1094 23.647,1095 11.681,1096 2.502,1097 9.19,1098 21.261,1099 4.474,1100 12.864,1101 16.718,1103 25.911,1104 12.683,1105 2.344,1106 6.992,1107 23.084,1108 3.94,1109 13.991,1110 18.24,1111 0.283,1112 28.233,1113 13.8,1114 2.167,1115 6.573,1116 24.914,1117 3.42,1118 15.048,1119 19.666,1121 30.526,1122 14.849,1123 1.837,1124 6.004,1125 26.75,1126 2.866,1127 16.158,1128 21.166,1129 0.217,1130 32.844,1131 15.949,1132 1.546,1133 5.2,1134 28.591,1135 2.801,1136 17.239,1137 22.622,1139 35.151,1140 17.021,1141 9615,1142 15892,1143 20.572,1144 32.262,1145 44.998,1146 45.327,1147 45.441,1148 44.591,1149 44.559,1150 60.795,1151 1.72,1152 124.379,1153 42.939,1154 5.428,1155 5.162,1156 6.215,1157 5.123,1158 5.072,1159 7.474,1160 1.72,1161 17.025,1162 5.03,1163 9.658,1164 1.5,1165 1.511,1166 1.515,1167 1.486,1168 1.485,1169 2.026,1170 0.057,1171 4.146,1172 1.431,1173 4.129,1174 4.164,1175 4.084,1176 4.047,1177 8.201,1178 4.052,1179 3.987,1180 4.013,1181 3.944,1182 3.918,1183 5.051,1184 3.92,1185 3.751,1186 3.785,1187 3.693,1188 3.624,1189 4.948,1190 3.635,1191 3.609,1192 3.672,1193 3.489,1194 3.474,1195 4.928,1196 3.469,1197 3.37,1198 3.435,1199 3.257,1200 3.206,1201 4.593,1202 3.211,1203 3.041,1204 3.089,1205 2.964,1206 2.875,1207 4.344,1208 2.886,1209 2.948,1210 3.009,1211 2.844,1212 2.811,1213 4.302,1214 2.808,1215 2.854,1216 2.928,1217 2.726,1218 2.735,1219 3.797,1220 2.715,1221 0.151,1222 0.105,1223 0.218,1224 0.135,1225 0.102,1226 4.527,1227 0.149,1228 3.162,1229 0.029,1230 6.533,1231 0.343,1232 4.058,1233 0.101,1234 3.072,1235 4.474,1236 0.86,1237 10.301,1238 3.03,1239 1.957,1240 1.935,1241 2.047,1242 2.049,1243 1.259,1244 2.048,1245 1.941,1246 1.917,1247 2.037,1248 2.018,1249 1.141,1250 2.026,1251 1.72,1252 1.684,1253 1.888,1254 1.899,1255 1.069,1256 1.898,1257 1.655,1258 1.608,1259 1.786,1260 1.809,1261 0.832,1262 1.805,1263 1.371,1264 1.305,1265 1.573,1266 1.616,1267 0.686,1268 1.61,1269 1.045,1270 0.99,1271 1.284,1272 1.26,1273 0.388,1274 1.271,1275 0.932,1276 0.894,1277 1.181,1278 1.169,1279 0.218,1280 1.167,1281 0.886,1282 0.821,1283 1.141,1284 1.062,1285 0.213,1286 1.107,1287 4.111,1289 5.416,1290 2.398,1291 6.911,1292 4.727,1293 8.488,1294 6.823,1295 10.109,1299 13.088,1301 6.269,1303 1.1,1306 5.843,1308 -0.14,1314 30.904,1315 71.765,1316 169.152,1317 218.536,1318 245.066,1319 247.066,1320 247.066,1321 41.914,1322 7.482,1323 63.93,1324 63.93,1325 23,1326 12.391,1327 4.524,1328 3.585,1329 40.491,1330 119,1331 110,1332 0.164,1333 188.532,1334 317.58,1335 451.777,1336 20548,1337 2.1,1338 18.64,1339 0.69,1340 0.546,1341 17.769,1342 14.731,1343 13.187,1344 0.44,1345 0.294,1346 8.727,1347 12.766,1348 8.557,1349 7.085,1350 12.793,1351 8.832,1352 11.777,1353 0.287,1354 0.16,1355 11.155,1356 6.551,1357 9.805,1358 0.185,1359 0.085,1360 9.394,1361 4.512,1362 8.085,1363 0.119,1364 0.046,1365 7.934,1366 3.143,1367 6.637,1368 0.08,1369 0.025,1370 6.413,1371 2.105,1372 0.265,1373 82.137,1374 0.22,1375 26.457,1376 0.428,1377 142,1378 429.137,1379 153.509,1380 396.258,1381 540.57,1382 372,1383 165,1384 395.506,1385 176.171,1386 398.893,1387 578.45,1388 376,1389 5.1}
{0 CHEMBL1996587,1 1.72,2 10,3 3.881,4 15.064,5 108.614,6 8.209,7 0.618,8 4.055,9 4.174,10 3.704,11 3.57,12 5.237,13 3.582,14 4.604,15 4.773,16 4.138,17 3.997,18 5.754,19 4.003,20 4.857,21 5.056,22 4.214,23 4.105,24 6.052,25 4.095,26 4.966,27 5.207,28 4.214,29 4.079,30 6.263,31 4.073,32 4.799,33 5.003,34 4.145,35 4.072,36 5.985,37 4.059,38 4.782,39 4.96,40 4.141,41 4.118,42 5.979,43 4.081,44 4.913,45 5.139,46 4.074,47 4.088,48 6.054,49 4.03,50 4.823,51 5.072,52 3.948,53 3.946,54 5.938,55 3.894,56 0.155,57 0.952,58 8.665,59 4.409,60 15.752,61 5.227,62 0.343,63 1.559,64 17.848,65 7.399,66 35.809,67 9.347,68 0.541,69 1.884,70 25.119,71 9.116,72 54.834,73 11.619,74 1.161,75 1.983,76 32.948,77 8.581,78 132.245,79 11.709,80 0.665,81 1.732,82 23.62,83 7.508,84 58.418,85 9.936,86 0.482,87 1.813,88 21.287,89 8.959,90 43.686,91 11.355,92 0.734,93 1.901,94 29.341,95 10.616,96 72.355,97 13.691,98 0.699,99 1.672,100 28.53,101 9.169,102 73.422,103 12.311,104 28,105 52,106 0.286,107 0.644,108 0.809,109 0.854,110 0.854,111 0.854,112 3.442,113 0.863,114 -6.18,115 -6.02,116 -5.59,119 42,120 2,121 2,123 1,125 2,142 5,143 1,144 2,146 2,152 1,161 3,166 2,172 6,174 3,175 9,180 1,183 4,187 3,188 14,193 2,196 1,199 2,200 11,203 2,208 3,212 1,213 7,216 2,221 9,224 2,225 6,230 1,233 10,237 2,238 7,243 1,246 5,250 8,253 1,258 5,264 4,267 1,269 1,272 8,276 1438,277 20.135,278 20.135,279 20.135,280 20.135,281 20.135,282 17.718,283 15.462,284 11.234,285 20.57,286 16.679,287 16.679,288 16.679,289 16.679,290 16.679,291 12.88,292 11.488,293 5.215,294 17.491,295 3.924,296 1.77,297 0.782,298 0.51,299 0.51,300 0.51,301 4.144,305 1,306 1,307 660,308 3.536,311 186.255,312 143.809,314 102.262,315 104.558,319 1.333,320 43.189,323 0.75,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.84,331 67,332 300,333 4.746,334 3.665,335 7.422,336 4.436,337 3.465,338 4.595,340 12.968,341 3.368,342 4.646,343 3.43,344 7.049,345 4.29,346 3.335,347 4.389,349 12.156,350 3.186,351 4.204,352 3.14,353 6.304,354 3.807,355 2.848,356 3.826,358 9.427,359 2.724,360 4.09,361 2.837,362 6.236,363 3.722,364 2.773,365 3.386,367 9.205,368 2.621,369 3.672,370 2.707,371 5.742,372 3.312,373 2.356,374 3.03,376 7.643,377 2.248,378 3.539,379 2.452,380 5.213,381 3.122,382 2.182,383 2.887,385 6.324,386 2.035,387 3.065,388 2.079,389 4.876,390 2.639,391 1.713,392 2.273,394 4.922,395 1.576,396 3.052,397 1.689,398 4.772,399 2.574,400 1.62,401 2.254,403 4.872,404 1.536,405 2.824,406 1.631,407 4.603,408 2.395,409 1.455,410 1.944,412 4.411,413 1.364,414 2.677,415 1.39,416 4.125,417 2.255,418 1.286,419 1.747,421 3.305,422 1.239,423 2.579,424 1.218,425 4.025,426 2.091,427 1.132,428 1.613,430 3.061,431 1.082,432 2.13,433 1.006,434 3.449,435 1.93,436 0.958,437 1.093,439 2.258,440 0.928,441 2.042,442 0.986,443 3.369,444 1.591,445 0.637,446 0.862,448 1.547,449 0.604,450 1.456,451 0.63,452 3.255,453 1.251,454 0.361,455 0.378,457 0.679,458 0.316,459 1.37,460 0.396,461 3.017,462 1.153,463 0.215,464 0.255,466 0.444,467 0.202,468 13.805,469 0.46,470 0.958,471 0.032,472 38.25,473 1.275,474 18,475 0.6,476 20.25,477 0.675,478 28.032,479 0.934,480 32.395,481 0.648,482 30.547,483 1.018,484 7.268,485 0.242,486 7.119,487 0.237,488 0.138,489 0.036,490 0.384,494 2,496 0.623,497 1.073,498 0.662,499 1.055,500 0.602,501 0.92,502 0.675,503 1.065,504 0.644,505 0.963,506 0.586,507 0.836,508 0.909,509 1.185,510 0.91,511 1.129,512 0.815,513 1.039,514 1.01,515 0.739,516 0.927,517 0.611,518 0.842,519 0.692,520 0.852,521 0.855,522 1.007,523 0.857,524 0.697,525 0.921,526 0.676,527 1.039,528 0.998,529 1.239,530 0.622,531 1.221,532 0.916,533 1.057,534 1.02,535 1.14,536 0.996,537 1.127,538 0.933,539 0.977,540 0.932,541 0.932,542 0.897,543 0.927,544 7,545 0.149,546 4.667,547 2.792,548 2.172,549 1.341,550 0.79,551 0.83,552 0.56,553 0.344,554 10709,555 32382,556 2.116,557 40,558 6,559 9,562 1,563 2,564 2,567 1.736,568 1.946,569 3.272,570 -0.283,572 1,577 86.006,578 1.72,579 3.873,580 4.861,581 5.134,582 5.134,583 5.134,584 2.689,585 4.707,586 4.88,587 3.404,588 1480.87,589 8.552,590 19490.8,592 1,594 1,595 282.193,596 1.648,597 4.818,598 0.206,599 0.008,600 0.09,601 0.053,602 0.042,603 0.027,604 0.016,605 0.019,606 0.014,607 0.011,608 0.486,609 0.17,610 0.75,611 0.922,612 150.141,613 0.001,614 -0.066,615 0.049,616 -0.025,617 -0.045,618 0.006,619 0.011,620 -0.117,621 0.171,622 0.033,623 0.024,624 0.116,625 -0.063,626 -0.195,627 -0.013,628 -0.161,629 -0.022,630 -0.093,632 0.164,633 0.08,634 0.274,635 0.071,636 0.225,637 -0.077,638 0.081,639 -0.134,640 0.052,641 -0.053,642 -0.02,643 0.032,644 -0.059,645 -0.173,646 -0.24,647 0.021,648 -0.265,649 0.01,650 -0.062,651 -0.052,652 -0.132,653 -0.061,654 -0.122,655 -0.019,656 -0.048,657 0.078,658 0.044,659 -0.003,660 0.083,661 2.333,662 6.602,663 0.767,664 24.729,665 1.021,666 1.144,667 4.946,668 24.465,669 0.669,670 3.555,671 3.97,672 4.317,673 4.654,674 4.89,675 5.112,676 5.303,677 5.493,678 5.652,679 5.762,680 5.927,681 0.656,682 410.47,683 3.555,684 5.153,685 6.052,686 6.984,687 7.902,688 8.839,689 9.765,690 10.704,691 11.633,692 12.573,693 12,701 2,703 4,708 1,709 5,710 4,714 8,715 1,716 21,734 2,735 50,737 21,738 1,739 34,741 54,742 21,743 14,744 3,745 3,748 5,749 7,754 3,755 1,757 2,760 2,762 14,763 7,780 1,781 2,783 20,784 7,785 1,786 9,789 1,792 6,797 0.6,798 1,799 1,808 1,815 3,816 2,818 1,819 1,841 1,843 3,847 2,849 2,851 30,857 1,858 4,865 1,871 1,873 2,874 2,875 1,881 15.417,882 9.852,883 6.347,884 3.086,886 4.144,887 1.497,888 0.991,889 4.37,890 12.484,891 3.818,892 4.522,893 5.205,894 5.882,895 6.43,896 6.911,897 7.408,898 7.922,899 8.34,900 8.745,901 0.857,902 53,903 11.191,905 5.077,906 7.975,907 20.921,909 17.967,911 2.475,912 74.25,914 1,915 1,916 223.651,917 108.275,918 69.838,920 42.683,921 29.92,923 108.275,924 266.334,925 99.758,926 17.65,927 7.175,928 90.065,929 73.146,930 30.004,931 32.677,932 223.651,934 223.651,935 178.113,936 72.604,939 230.029,940 23.542,941 42.683,943 39.773,944 71.566,945 66.775,947 253.571,948 112.521,949 108.275,952 223.651,953 43.244,954 68.095,956 139.378,957 223.651,958 142.441,959 108.275,961 0.604,962 0.367,963 0.199,964 0.105,965 29,966 13,967 0.074,968 4,969 2,970 1.174,971 3.933,972 298.554,973 0.174,974 23,975 145.207,981 19.139,982 6.85,983 3.019,984 0.547,985 139.378,986 7.079,987 17.74,991 2.001,992 2.035,993 42.683,994 474.368,995 44.5,1007 51.032,1008 57.2,1009 0.305,1010 0.686,1011 0.861,1012 0.91,1013 0.91,1014 0.91,1015 5.107,1016 1.62,1017 6.103,1018 4.922,1019 4.654,1020 5.209,1022 7.034,1023 4.56,1024 6.373,1025 1.455,1026 7.744,1027 4.872,1028 4.511,1029 5.231,1031 8.295,1032 4.375,1033 7.736,1034 1.286,1035 9.492,1036 4.411,1037 6.405,1038 7.536,1040 11.398,1041 6.233,1042 9.139,1043 1.132,1044 11.304,1045 3.305,1046 7.074,1047 8.371,1049 13.462,1050 6.865,1051 10.574,1052 0.958,1053 13.158,1054 3.061,1055 8.496,1056 10.179,1058 16.156,1059 8.254,1060 12.031,1061 0.637,1062 15.04,1063 2.258,1064 9.49,1065 11.374,1067 18.513,1068 9.214,1069 13.505,1070 0.361,1071 16.943,1072 1.547,1073 10.762,1074 12.994,1076 21.092,1077 10.455,1078 3.465,1079 0.215,1080 18.862,1081 0.679,1082 11.888,1083 14.355,1085 23.559,1086 11.548,1087 3.335,1088 12.968,1089 20.794,1090 0.444,1091 13.115,1092 15.9,1094 26.107,1095 12.744,1096 2.848,1097 12.156,1098 22.735,1099 4.595,1100 14.294,1101 17.338,1103 28.618,1104 13.892,1105 2.773,1106 9.427,1107 24.685,1108 4.389,1109 15.511,1110 18.855,1112 31.159,1113 15.079,1114 2.356,1115 9.205,1116 26.641,1117 3.826,1118 16.713,1119 20.329,1121 33.689,1122 16.25,1123 2.182,1124 7.643,1125 28.603,1126 3.386,1127 17.931,1128 21.837,1130 36.23,1131 17.438,1132 1.713,1133 6.324,1134 30.569,1135 3.03,1136 19.145,1137 23.328,1139 38.768,1140 18.621,1141 10115,1142 17753,1143 22.482,1144 33.455,1145 52.92,1146 53.93,1147 55.236,1148 52.723,1149 52.67,1150 69.062,1152 166.443,1153 50.058,1154 5.592,1155 5.665,1156 6.91,1157 5.496,1158 5.465,1159 7.595,1161 20.845,1162 5.368,1163 15.936,1164 1.556,1165 1.586,1166 1.625,1167 1.551,1168 1.549,1169 2.031,1171 4.895,1172 1.472,1173 4.163,1174 4.216,1175 4.141,1176 4.005,1177 8.211,1178 4.03,1179 4.009,1180 4.062,1181 3.981,1182 3.84,1183 8.191,1184 3.867,1185 3.843,1186 3.879,1187 3.796,1188 3.721,1189 6.456,1190 3.732,1191 3.655,1192 3.708,1193 3.534,1194 3.531,1195 5.208,1196 3.525,1197 3.341,1198 3.4,1199 3.24,1200 3.196,1201 4.894,1202 3.2,1203 3.12,1204 3.184,1205 3.049,1206 2.92,1207 4.467,1208 2.944,1209 2.983,1210 3.064,1211 2.852,1212 2.733,1213 4.417,1214 2.735,1215 2.903,1216 3.009,1217 2.755,1218 2.645,1219 4.143,1220 2.66,1221 0.14,1222 0.108,1223 0.218,1224 0.13,1225 0.102,1226 4.746,1227 0.135,1228 3.665,1230 7.422,1231 0.381,1232 4.436,1233 0.099,1234 3.465,1235 4.595,1237 12.968,1238 3.368,1239 1.927,1240 1.899,1241 2.001,1242 2.083,1243 1.231,1244 2.054,1245 1.85,1246 1.813,1247 1.96,1248 1.977,1249 1.187,1250 1.969,1251 1.708,1252 1.662,1253 1.87,1254 1.874,1255 1.084,1256 1.88,1257 1.564,1258 1.499,1259 1.822,1260 1.748,1261 0.971,1262 1.774,1263 1.458,1264 1.396,1265 1.591,1266 1.686,1267 0.822,1268 1.663,1269 1.216,1270 1.175,1271 1.417,1272 1.386,1273 0.469,1274 1.354,1275 0.992,1276 0.907,1277 1.34,1278 1.338,1279 0.441,1280 1.315,1281 0.934,1282 0.836,1283 1.289,1284 1.296,1285 0.427,1286 1.308,1287 4.234,1289 5.624,1290 3.434,1291 7.201,1292 5.82,1293 8.866,1294 7.947,1295 10.579,1297 3.71,1299 28.063,1302 9.756,1303 2.359,1310 -0.643,1314 32.824,1315 86.006,1316 193.671,1317 243.073,1318 256.683,1319 256.683,1320 256.683,1321 63.554,1322 8.34,1323 81.13,1324 81.13,1325 27,1326 13.071,1327 4.459,1328 3.524,1329 41.276,1330 104,1331 114,1332 0.193,1333 196.054,1334 329.63,1335 470.133,1336 49229,1337 4,1338 21.043,1339 0.701,1340 0.553,1341 19.303,1342 16.602,1343 14.386,1344 0.423,1345 0.288,1346 9.602,1347 13.658,1348 9.371,1349 7.714,1350 13.582,1351 9.779,1352 13.914,1353 0.268,1354 0.157,1355 12.753,1356 8.159,1357 12.243,1358 0.165,1359 0.075,1360 11.45,1361 5.521,1362 10.516,1363 0.101,1364 0.037,1365 9.8,1366 3.863,1367 8.219,1368 0.062,1369 0.019,1370 7.85,1371 2.51,1372 0.292,1373 91.556,1374 0.211,1375 27.466,1376 0.564,1377 172,1378 602.243,1379 194.312,1380 531.188,1381 725.47,1382 496,1383 212,1384 548.852,1385 236.91,1386 539.281,1387 802.67,1388 508,1389 5.1}
{0 CHEMBL1996649,1 1.678,2 16.658,3 3.857,4 14.879,5 151.843,6 7.75,7 0.537,8 4.319,9 4.448,10 3.937,11 3.874,12 5.458,13 3.837,14 4.833,15 5.013,16 4.287,17 4.255,18 5.971,19 4.189,20 5.086,21 5.303,22 4.369,23 4.386,24 6.161,25 4.307,26 5.155,27 5.368,28 4.45,29 4.42,30 6.301,31 4.322,32 5.206,33 5.45,34 4.272,35 4.377,36 6.27,37 4.254,38 5.098,39 5.346,40 4.193,41 4.265,42 6.279,43 4.153,44 4.971,45 5.203,46 4.105,47 4.207,48 6.027,49 4.108,50 4.94,51 5.155,52 4.123,53 4.181,54 6.089,55 4.086,56 0.073,57 1.117,58 14.134,59 6.208,60 13.573,61 7.891,62 0.369,63 1.747,64 27.359,65 10.656,66 37.486,67 13.812,68 0.44,69 2.11,70 37.355,71 13.188,72 60.94,73 17.176,74 0.562,75 2.209,76 43.25,77 14.645,78 73.112,79 19.301,80 0.518,81 2.137,82 48.739,83 16.267,84 87.546,85 20.914,86 0.81,87 1.928,88 43.257,89 13.654,90 123.243,91 18.245,92 0.414,93 1.766,94 35.3,95 11.703,96 61.439,97 15.724,98 0.42,99 1.716,100 34.835,101 12.172,102 65.452,103 15.593,104 47,105 56,106 0.262,107 0.606,108 0.763,109 0.839,110 0.85,111 0.855,112 3.667,113 0.979,114 -4.52,115 -4.44,116 -4.18,119 40.6,120 2,121 1,125 4,142 8,143 4,144 3,145 1,147 1,151 1,152 1,158 1,159 1,163 1,164 1,165 1,172 8,175 6,177 1,178 4,179 1,180 7,183 14,185 1,188 1,193 4,196 9,198 1,199 1,200 9,203 2,205 11,208 9,210 3,213 6,218 7,221 4,223 2,224 1,225 7,227 1,228 1,229 1,230 8,232 1,233 8,235 2,238 3,243 4,246 7,249 1,250 7,253 1,254 1,255 5,257 1,258 9,260 1,264 2,269 1,272 7,276 3292,277 25.739,278 25.739,279 25.739,280 25.739,281 25.739,282 22.862,283 30.549,284 15.207,285 26.368,286 20.097,287 20.097,288 20.097,289 20.097,290 20.097,291 15.688,292 40.024,293 7.053,294 21.015,295 4.43,296 2.226,297 1.221,298 0.728,299 0.66,300 0.631,301 4.36,306 1,307 1334,308 4.637,311 94.714,312 390.217,315 179.711,319 3.061,320 42.989,323 0.75,324 0.67,325 0.67,326 0.7,327 0.5,328 0.67,329 0.5,330 0.64,331 82.5,332 633,333 4.742,334 3.605,335 7.007,336 4.276,337 3.308,338 4.717,339 1.656,340 11.945,341 3.202,342 4.166,343 3.563,344 6.288,345 3.799,346 2.807,347 3.753,348 1.058,349 9.362,350 2.783,351 4.074,352 3.212,353 5.724,354 3.686,355 2.718,356 3.66,357 0.8,358 7.836,359 2.618,360 3.921,361 2.946,362 5.611,363 3.524,364 2.549,365 3.382,366 0.247,367 7.515,368 2.48,369 3.677,370 2.782,371 5.385,372 3.365,373 2.445,374 2.994,376 6.999,377 2.26,378 3.466,379 2.664,380 5.271,381 3.297,382 2.325,383 2.778,385 6.643,386 2.237,387 3.446,388 2.36,389 4.987,390 3.047,391 2.092,392 2.617,394 5.71,395 1.992,396 3.329,397 2.283,398 4.9,399 2.83,400 1.927,401 2.445,403 5.416,404 1.726,405 3.153,406 2.144,407 4.549,408 2.713,409 1.741,410 2.344,412 4.681,413 1.669,414 2.958,415 1.723,416 4.42,417 2.56,418 1.597,419 2.086,421 4.157,422 1.528,423 2.658,424 1.686,425 4.02,426 2.273,427 1.279,428 1.73,430 3.1,431 1.262,432 2.56,433 1.275,434 3.647,435 2.171,436 1.181,437 1.586,439 2.674,440 1.166,441 2.5,442 1.112,443 3.479,444 2.011,445 1.065,446 1.5,448 2.585,449 1,450 2.449,451 1,452 3.442,453 2,454 1,455 1.425,457 2.275,458 0.998,459 2.218,460 0.897,461 3.414,462 1.629,463 0.788,464 1.088,466 2.008,467 0.645,468 18.186,469 0.479,470 0.869,471 0.023,472 48.75,473 1.283,474 24.5,475 0.645,476 24.25,477 0.638,478 35.049,479 0.922,480 41.214,481 0.597,482 41.021,483 1.079,484 9.553,485 0.251,486 8.836,487 0.233,488 0.129,490 0.324,494 1,496 0.736,497 1.16,498 0.774,499 0.958,500 0.606,501 0.919,502 0.622,503 0.996,504 0.852,505 0.95,506 0.493,507 0.929,508 1.064,509 0.969,510 0.878,511 0.839,512 0.908,513 0.873,514 0.807,515 1.04,516 0.946,517 1.127,518 0.858,519 1.045,520 1.007,521 0.993,522 1.088,523 1.08,524 1.035,525 0.983,526 0.809,527 0.794,528 1.007,529 0.91,530 0.81,531 0.883,532 0.964,533 0.93,534 0.997,535 0.969,536 0.904,537 0.969,538 0.981,539 0.982,540 1.046,541 1.104,542 1.071,543 1.034,544 7.5,545 0.259,546 4,547 2.778,548 2.059,549 1.313,550 0.808,551 0.592,552 0.401,553 0.364,554 24954,555 69000,556 2.038,557 44.9,559 16,560 1,561 1,562 5,564 6,565 2,567 1.784,568 1.9,569 3.978,570 2.214,577 115.792,578 1.678,579 3.883,580 4.887,581 5.38,582 5.449,583 5.478,584 3.485,585 4.912,586 5.209,587 4.211,588 2960.66,589 9.162,590 52506.4,595 421.488,596 1.433,597 5.174,598 0.183,599 0.006,600 0.071,601 0.047,602 0.035,603 0.026,604 0.017,605 0.013,606 0.009,607 0.009,608 0.417,610 0.88,611 1.611,612 215.938,613 -0.078,614 -0.051,615 0.039,616 0.048,617 -0.065,618 0.044,619 0.125,620 0.05,621 0.063,622 0.057,623 0.11,624 0.044,625 -0.128,626 0.049,627 0.052,628 0.125,629 -0.046,630 0.093,631 0.092,632 -0.076,633 0.087,634 -0.088,635 0.048,636 -0.052,637 -0.066,638 -0.099,639 0.005,640 -0.03,641 -0.037,642 0.027,643 0.141,644 0.095,645 0.046,646 0.086,647 0.153,648 0.1,649 -0.109,651 -0.039,653 -0.083,654 0.01,655 -0.021,656 -0.06,657 -0.034,658 -0.082,659 -0.026,660 -0.043,661 2.148,662 5.931,663 0.553,664 62.205,665 1.005,666 1.131,667 3.286,668 10.796,669 0.673,670 3.738,671 4.043,672 4.304,673 4.564,674 4.754,675 4.86,676 4.984,677 5.153,678 5.22,679 5.323,680 9.651,681 0.637,682 534.72,683 3.738,684 5.273,685 6.116,686 6.989,687 7.852,688 8.736,689 9.61,690 10.502,691 11.386,692 12.284,693 8.7,696 1,697 1,700 3,703 1,708 2,709 10,710 1,713 1,714 7,716 22,723 1,727 1,734 1,735 69,737 24,738 2,739 41,741 72,742 28,743 19,744 4,745 8,746 1,748 4,749 5,753 1,754 2,760 1,762 21,763 7,767 2,772 2,776 2,781 1,783 31,784 9,785 5,786 10,787 1,792 6,797 0.75,798 2,809 1,815 1,816 3,819 1,839 1,843 3,845 1,847 2,849 1,851 38,852 1,858 5,860 3,864 1,869 1,873 1,874 2.9,877 2,881 20,882 12.71,883 8.583,884 4.307,886 4.301,887 1.513,888 0.993,889 9.533,890 12.682,891 4.007,892 4.598,893 5.188,894 5.814,895 6.349,896 6.704,897 7.134,898 7.602,899 7.903,900 8.262,901 1,902 59,903 14.097,905 5.971,906 7.873,907 26.618,909 21.46,911 2.373,912 90.167,916 306.049,917 191.21,918 106.839,920 50.29,921 14.96,922 31.278,923 159.933,924 356.339,925 121.799,926 17.65,927 64.99,928 116.356,929 83.551,930 38.936,931 34.081,932 313.784,934 306.049,935 266.772,936 65.25,937 31.278,939 226.84,940 144.459,943 94.812,944 155.175,945 16.786,946 31.278,947 321.009,948 157.129,949 191.21,952 306.049,953 81.053,954 113.281,955 54.032,956 114.933,957 306.049,958 172.089,959 191.21,961 0.573,962 0.337,963 0.18,964 0.091,965 24,966 12,967 0.139,968 10,969 1,970 1.095,971 4.868,972 353.023,973 0.095,974 21,975 191.421,977 1,981 27.804,982 13.029,983 7.013,984 1.515,985 172.089,986 16.408,987 4.296,990 1.447,991 3.083,993 86.929,994 669.348,995 54,1000 25.208,1004 -0.648,1007 69.341,1008 78.066,1009 0.275,1010 0.636,1011 0.8,1012 0.881,1013 0.892,1014 0.897,1015 5.234,1016 1.927,1017 6.094,1018 5.71,1019 4.727,1020 5.286,1021 2.197,1022 6.895,1023 4.645,1024 6.437,1025 1.741,1026 7.646,1027 5.416,1028 4.29,1029 5.112,1030 1.305,1031 7.806,1032 4.186,1033 7.742,1034 1.597,1035 9.3,1036 4.681,1037 6.308,1038 7.501,1039 2.65,1040 10.919,1041 6.16,1042 9.085,1043 1.279,1044 11.015,1045 4.157,1046 6.698,1047 8.191,1048 2.354,1049 12.719,1050 6.53,1051 10.462,1052 1.181,1053 12.772,1054 3.1,1055 8.175,1056 10.06,1057 3.357,1058 15.379,1059 7.973,1060 11.865,1061 1.065,1062 14.56,1063 2.674,1064 8.96,1065 11.178,1066 3.414,1067 17.569,1068 8.735,1069 13.289,1070 1,1071 16.374,1072 2.585,1073 10.227,1074 12.842,1075 4.206,1076 20.092,1077 9.973,1078 3.308,1079 0.788,1080 18.207,1081 2.275,1082 11.209,1083 14.178,1084 4.466,1085 22.449,1086 10.929,1087 2.807,1088 11.945,1089 20.058,1090 2.008,1091 12.4,1092 15.76,1093 5.133,1094 24.933,1095 12.091,1096 2.718,1097 9.362,1098 21.923,1099 4.717,1100 13.481,1101 17.205,1102 5.504,1103 27.359,1104 13.141,1105 2.549,1106 7.836,1107 23.8,1108 3.753,1109 14.65,1110 18.758,1111 6.1,1112 29.834,1113 14.281,1114 2.445,1115 7.515,1116 25.687,1117 3.66,1118 15.78,1119 20.256,1120 6.531,1121 32.29,1122 15.379,1123 2.325,1124 6.999,1125 27.583,1126 3.382,1127 16.948,1128 21.801,1129 7.087,1130 34.764,1131 16.516,1132 2.092,1133 6.643,1134 29.487,1135 2.994,1136 18.105,1137 23.325,1138 7.551,1139 37.232,1140 17.639,1141 24181,1142 40593,1143 27.046,1144 46.427,1145 60.223,1146 61.968,1147 63.082,1148 59.906,1149 59.923,1150 78.581,1151 7.523,1152 169.544,1153 57.327,1154 5.678,1155 5.605,1156 6.705,1157 5.386,1158 5.308,1159 7.717,1160 2.912,1161 19.465,1162 5.202,1163 21.478,1164 1.469,1165 1.511,1166 1.539,1167 1.461,1168 1.462,1169 1.917,1170 0.183,1171 4.135,1172 1.398,1173 4.122,1174 4.134,1175 4.342,1176 4.124,1177 8.201,1178 4.085,1179 3.923,1180 3.956,1181 3.885,1182 3.831,1183 7.432,1184 3.833,1185 3.848,1186 3.883,1187 3.806,1188 3.78,1189 7.428,1190 3.775,1191 3.776,1192 3.849,1193 3.655,1194 3.59,1195 5.179,1196 3.589,1197 3.559,1198 3.628,1199 3.53,1200 3.368,1201 4.78,1202 3.372,1203 3.432,1204 3.479,1205 3.384,1206 3.241,1207 4.662,1208 3.238,1209 3.306,1210 3.407,1211 3.362,1212 3.123,1213 4.58,1214 3.135,1215 3.306,1216 3.343,1217 3.144,1218 3.106,1219 4.336,1220 3.089,1221 0.116,1222 0.088,1223 0.171,1224 0.104,1225 0.081,1226 4.742,1227 0.115,1228 3.605,1229 0.04,1230 7.007,1231 0.291,1232 4.276,1233 0.078,1234 3.308,1235 4.717,1236 1.656,1237 11.945,1238 3.202,1239 1.962,1240 1.943,1241 2.036,1242 2.051,1243 1.273,1244 2.045,1245 1.879,1246 1.851,1247 1.985,1248 1.998,1249 1.178,1250 1.992,1251 1.834,1252 1.815,1253 1.978,1254 1.965,1255 1.053,1256 1.974,1257 1.732,1258 1.658,1259 1.876,1260 1.922,1261 1.045,1262 1.924,1263 1.515,1264 1.447,1265 1.79,1266 1.746,1267 1.005,1268 1.761,1269 1.411,1270 1.385,1271 1.725,1272 1.596,1273 0.869,1274 1.638,1275 1.351,1276 1.256,1277 1.472,1278 1.584,1279 0.652,1280 1.568,1281 1.223,1282 1.181,1283 1.381,1284 1.475,1285 0.532,1286 1.464,1287 4.419,1289 5.727,1290 2.398,1291 7.225,1292 4.727,1293 8.814,1294 6.88,1295 10.457,1297 4.257,1299 13.345,1301 6.24,1303 4.368,1305 8.331,1309 2.318,1314 43.977,1315 115.792,1316 267.904,1317 337.224,1318 371.224,1319 375.978,1320 377.978,1321 90.612,1322 8.381,1323 112.38,1324 140.62,1325 23,1326 12.811,1327 4.644,1328 3.807,1329 67.96,1330 215,1331 224,1332 0.15,1333 275.741,1334 476.4,1335 664.568,1336 61358,1337 1.4,1338 27.07,1339 0.712,1340 0.584,1341 26.554,1342 22.2,1343 18.389,1344 0.449,1345 0.326,1346 12.407,1347 17.258,1348 12.034,1349 10.02,1350 18.449,1351 13.374,1352 16.14,1353 0.288,1354 0.171,1355 16.031,1356 9.593,1357 13.405,1358 0.184,1359 0.099,1360 13.789,1361 7.25,1362 11.22,1363 0.118,1364 0.055,1365 11.857,1366 5.269,1367 8.465,1368 0.074,1369 0.029,1370 9.188,1371 3.307,1372 0.244,1373 119.519,1374 0.192,1375 35.321,1376 0.388,1377 194,1378 612.044,1379 235.421,1380 592.587,1381 797.85,1382 552,1383 226,1384 563.626,1385 264.603,1386 580.866,1387 848.49,1388 547,1389 6.9}
{0 CHEMBL1996780,1 1.514,2 9.8,3 3.912,4 15.3,5 113.514,6 8.009,7 0.545,8 4.018,9 4.109,10 3.643,11 3.606,12 5.23,13 3.599,14 4.506,15 4.64,16 4.011,17 3.98,18 5.719,19 3.964,20 4.738,21 4.888,22 4.146,23 4.139,24 5.941,25 4.117,26 4.834,27 4.987,28 4.167,29 4.181,30 6.173,31 4.142,32 4.865,33 5.034,34 4.126,35 4.224,36 6.026,37 4.165,38 4.904,39 5.092,40 4.156,41 4.207,42 6.076,43 4.16,44 4.889,45 5.054,46 4.11,47 4.149,48 6.164,49 4.112,50 4.838,51 5.009,52 3.908,53 4.046,54 6.077,55 3.98,56 0.057,57 0.653,58 8.569,59 4.527,60 10.941,61 5.231,62 0.257,63 1.058,64 16.172,65 7.305,66 29.048,67 8.78,68 0.264,69 1.318,70 21.419,71 9.248,72 36.598,73 11.004,74 0.657,75 1.421,76 24.543,77 10.084,78 83.637,79 12.074,80 0.364,81 1.453,82 25.591,83 11.232,84 59.761,85 13.738,86 0.334,87 1.529,88 27.637,89 11.336,90 49.941,91 14.126,92 0.457,93 1.453,94 27.086,95 10.935,96 67.85,97 12.573,98 0.509,99 1.328,100 26.799,101 10.723,102 88.627,103 12.19,104 29,105 47,106 0.251,107 0.616,108 0.786,109 0.866,110 0.872,111 0.872,112 3.442,113 0.869,114 -3.9,115 -3.85,116 -3.66,119 48,120 2,125 1,136 1,137 1,142 8,143 4,144 3,145 2,157 1,158 1,172 10,174 1,175 12,180 2,183 13,188 7,193 2,196 11,199 5,200 8,205 1,208 13,213 7,216 1,221 16,225 14,233 12,237 1,238 14,243 3,246 13,250 2,255 2,258 10,263 1,264 7,267 3,269 2,272 4,276 1516,277 20.284,278 20.284,279 20.284,280 20.284,281 20.284,282 17.739,283 19.644,284 11.93,285 20.657,286 16.231,287 16.231,288 16.231,289 16.231,290 16.231,291 12.276,292 26.508,293 5.572,294 16.71,295 4.13,296 1.936,297 0.91,298 0.43,299 0.39,300 0.39,301 4.135,305 1,306 1,307 628,308 3.162,312 322.497,316 126.007,319 1.48,320 35.878,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 65,332 294,333 4.625,334 3.82,335 6.951,336 4.295,337 3.314,338 4.232,339 1.674,340 11.742,341 3.261,342 4.25,343 3.458,344 6.436,345 3.881,346 2.894,347 3.888,348 0.8,349 9.789,350 2.85,351 4.206,352 3.239,353 6.183,354 3.839,355 2.84,356 3.732,358 9.168,359 2.832,360 3.897,361 2.877,362 5.965,363 3.508,364 2.525,365 3.336,367 8.269,368 2.476,369 3.58,370 2.679,371 5.419,372 3.219,373 2.258,374 2.881,376 6.693,377 2.157,378 3.356,379 2.326,380 4.943,381 2.899,382 1.916,383 2.678,385 5.458,386 1.871,387 3.174,388 2.036,389 4.641,390 2.778,391 1.813,392 2.363,394 4.721,395 1.745,396 3.022,397 1.82,398 4.422,399 2.559,400 1.605,401 2.111,403 4.18,404 1.52,405 2.773,406 1.747,407 4.143,408 2.323,409 1.335,410 1.878,412 3.488,413 1.315,414 2.653,415 1.528,416 3.732,417 2.13,418 1.17,419 1.691,421 2.716,422 1.117,423 2.5,424 1.372,425 3.533,426 1.984,427 1,428 1.5,430 2.477,431 0.983,432 2.458,433 1.127,434 3.403,435 1.941,436 0.947,437 1.364,439 2.136,440 0.937,441 2.109,442 1,443 3.247,444 1.882,445 0.908,446 1.031,448 1.625,449 0.869,450 1.855,451 0.906,452 2.883,453 1.327,454 0.311,455 0.438,457 0.733,458 0.311,459 1.18,460 0.291,461 2.727,462 0.79,463 -0.199,464 -0.249,466 -0.475,467 -0.193,468 14.133,469 0.471,470 0.768,471 0.026,472 42.5,473 1.417,474 23.5,475 0.783,476 19,477 0.633,478 23.17,479 0.772,480 30.867,481 0.617,482 35.561,483 1.185,484 8.581,485 0.286,486 5.909,487 0.197,488 0.142,490 0.382,496 0.746,497 1.153,498 0.717,499 0.985,500 0.668,501 0.872,502 0.759,503 1.022,504 0.747,505 0.886,506 0.562,507 0.82,508 1.003,509 1.074,510 0.87,511 0.963,512 0.841,513 0.899,514 0.909,515 0.937,516 1.001,517 0.953,518 1.052,519 0.985,520 0.901,521 1.026,522 0.975,523 1.034,524 1.067,525 1.028,526 0.929,527 0.999,528 0.892,529 0.989,530 0.871,531 0.937,532 1.36,533 0.982,534 1.117,535 1.062,536 1.365,537 1.045,538 1.533,539 1.059,540 1.289,541 1.115,542 1.69,543 1.16,544 5.5,545 0.128,546 4,547 2.375,548 2.053,549 1.556,550 1.134,551 0.7,552 0.489,553 0.244,554 10203,555 30217,556 2.067,557 40,558 3,559 10,560 1,561 2,562 1,564 3,567 1.738,568 1.915,569 3.255,570 -0.382,572 1,577 75.715,578 1.514,579 3.708,580 4.734,581 5.214,582 5.254,583 5.254,584 2.737,585 4.482,586 4.873,587 3.403,588 1480.38,589 8.56,590 19714.2,592 1,594 1,595 282.193,596 1.475,597 4.828,598 0.167,599 0.008,600 0.085,601 0.045,602 0.039,603 0.031,604 0.022,605 0.015,606 0.013,607 0.008,608 0.432,609 0.33,610 1,611 1.085,612 150.308,613 -0.051,614 -0.102,615 0.033,616 -0.013,617 -0.089,618 0.017,619 0.052,620 0.025,621 0.098,622 0.08,623 0.059,624 0.097,625 -0.1,626 -0.044,627 0.018,628 0.001,629 -0.035,630 0.029,631 0.139,632 0.087,633 -0.08,634 0.007,635 0.077,636 -0.064,637 -0.049,638 -0.053,639 -0.06,640 -0.041,641 -0.119,642 -0.053,643 -0.054,644 -0.003,645 0.059,646 -0.011,647 0.005,648 0.041,649 -0.17,650 -0.005,651 -0.146,652 -0.092,653 -0.104,654 -0.107,655 -0.256,656 -0.134,657 -0.286,658 -0.127,659 -0.267,660 -0.201,661 2.326,662 6.051,663 0.733,664 28.569,665 1.009,666 1.111,667 2.666,668 7.106,669 0.694,670 3.526,671 3.871,672 4.19,673 4.489,674 4.787,675 4.963,676 5.165,677 5.323,678 5.468,679 5.489,680 5.963,681 0.673,682 400.46,683 3.526,684 5.081,685 5.953,686 6.851,687 7.746,688 8.656,689 9.562,690 10.478,691 11.391,692 12.31,693 4,701 1,703 1,709 10,710 1,714 7,716 18,721 1,730 1,732 1,735 50,737 21,738 2,739 33,741 53,742 24,743 17,744 6,745 6,746 4,748 4,749 5,754 2,762 21,763 3,767 3,772 2,774 1,776 3,780 1,783 20,784 6,785 1,786 6,792 2,797 0.75,798 4,809 1,816 4,820 1,832 1,835 1,843 3,847 2,851 30,857 1,858 1,861 1,864 1,874 8,876 1,877 2,879 1,881 15.667,882 9.767,883 6.639,884 3.044,886 3.439,887 1.439,888 0.975,889 5.386,890 11.266,891 3.829,892 4.437,893 5.051,894 5.627,895 6.213,896 6.565,897 7.056,898 7.499,899 7.938,900 8.26,901 0.857,902 53,903 11.121,905 4.821,906 7.922,907 20.738,909 16.914,911 2.422,912 72.667,914 1,915 1,916 223.651,917 158.961,918 19.91,920 103.973,923 158.961,924 327.624,925 19.91,926 17.65,927 13.64,928 75.81,929 145.626,930 53.66,931 11.771,932 188.338,934 223.651,935 178.871,936 103.973,939 188.338,940 139.286,943 43.462,944 118.624,945 16.786,947 223.651,948 123.883,949 158.961,952 223.651,953 38.359,954 123.727,956 120.759,957 223.651,958 123.883,959 158.961,961 0.581,962 0.349,963 0.195,964 0.11,965 23,966 11,967 0.094,968 5,969 1,970 1.091,971 3.923,972 284.173,973 0.091,974 22,975 143.207,981 19.869,982 8.132,983 3.754,985 123.883,986 17.644,987 4.051,991 4.618,993 42.683,994 506.495,995 45,1000 25.489,1002 1.512,1004 -1.071,1007 50.465,1008 55.571,1009 0.268,1010 0.657,1011 0.839,1012 0.924,1013 0.931,1014 0.931,1015 5.072,1016 1.605,1017 5.953,1018 4.721,1019 4.554,1020 5.124,1021 2.024,1022 6.812,1023 4.51,1024 6.295,1025 1.335,1026 7.544,1027 4.18,1028 4.205,1029 4.924,1030 0.325,1031 7.808,1032 4.158,1033 7.614,1034 1.17,1035 9.238,1036 3.488,1037 6.188,1038 7.317,1039 2.844,1040 10.956,1041 6.113,1042 8.969,1043 1,1044 10.992,1045 2.716,1046 6.661,1047 7.914,1048 0.268,1049 12.773,1050 6.587,1051 10.356,1052 0.947,1053 12.784,1054 2.477,1055 8.127,1056 9.782,1057 3.814,1058 15.45,1059 8.028,1060 11.766,1061 0.908,1062 14.602,1063 2.136,1064 8.972,1065 10.759,1066 0.188,1067 17.608,1068 8.871,1069 13.193,1070 0.311,1071 16.439,1072 1.625,1073 10.24,1074 12.397,1075 4.826,1076 20.125,1077 10.119,1078 3.314,1079 -0.199,1080 18.29,1081 0.733,1082 11.259,1083 13.572,1084 0.125,1085 22.436,1086 11.129,1087 2.894,1088 11.742,1089 20.152,1090 -0.475,1091 12.454,1092 15.097,1093 5.851,1094 24.9,1095 12.307,1096 2.84,1097 9.789,1098 22.023,1099 4.232,1100 13.554,1101 16.379,1102 0.082,1103 27.283,1104 13.393,1105 2.525,1106 9.168,1107 23.901,1108 3.888,1109 14.726,1110 17.849,1111 6.88,1112 29.732,1113 14.549,1114 2.258,1115 8.269,1116 25.785,1117 3.732,1118 15.864,1119 19.191,1120 0.054,1121 32.151,1122 15.672,1123 1.916,1124 6.693,1125 27.674,1126 3.336,1127 17.034,1128 20.634,1129 7.91,1130 34.599,1131 16.825,1132 1.813,1133 5.458,1134 29.568,1135 2.881,1136 18.192,1137 22.011,1138 0.035,1139 37.036,1140 17.967,1141 9908,1142 17167,1143 21.789,1144 34.682,1145 50.736,1146 52.038,1147 52.046,1148 49.722,1149 49.674,1150 66.249,1151 4.949,1152 146.385,1153 48.488,1154 5.519,1155 5.82,1156 6.753,1157 5.336,1158 5.314,1159 7.232,1160 3.349,1161 19.46,1162 5.261,1163 15.768,1164 1.537,1165 1.577,1166 1.577,1167 1.507,1168 1.505,1169 2.008,1170 0.15,1171 4.436,1172 1.469,1173 4.08,1174 4.101,1175 4.047,1176 4.006,1177 7.446,1178 4.012,1179 3.897,1180 3.925,1181 3.844,1182 3.831,1183 7.414,1184 3.83,1185 3.793,1186 3.817,1187 3.747,1188 3.688,1189 6.471,1190 3.699,1191 3.602,1192 3.629,1193 3.533,1194 3.435,1195 4.93,1196 3.453,1197 3.412,1198 3.469,1199 3.261,1200 3.24,1201 4.721,1202 3.23,1203 3.189,1204 3.263,1205 3.055,1206 3.027,1207 4.548,1208 3.012,1209 3.068,1210 3.11,1211 2.952,1212 2.881,1213 4.466,1214 2.898,1215 3.009,1216 3.012,1217 2.932,1218 2.799,1219 4.103,1220 2.828,1221 0.14,1222 0.116,1223 0.211,1224 0.13,1225 0.1,1226 4.625,1227 0.128,1228 3.82,1229 0.051,1230 6.951,1231 0.356,1232 4.295,1233 0.099,1234 3.314,1235 4.232,1236 1.674,1237 11.742,1238 3.261,1239 2.023,1240 2.004,1241 2.092,1242 2.113,1243 1.24,1244 2.106,1245 1.888,1246 1.865,1247 1.994,1248 1.981,1249 1.11,1250 1.986,1251 1.754,1252 1.73,1253 1.857,1254 1.885,1255 0.945,1256 1.876,1257 1.533,1258 1.503,1259 1.801,1260 1.76,1261 0.906,1262 1.768,1263 1.407,1264 1.346,1265 1.57,1266 1.574,1267 0.639,1268 1.579,1269 1.205,1270 1.131,1271 1.536,1272 1.427,1273 0.587,1274 1.468,1275 0.991,1276 0.952,1277 1.181,1278 1.229,1279 0.234,1280 1.198,1281 0.889,1282 0.875,1283 1.169,1284 1.145,1285 0.218,1286 1.107,1287 4.205,1289 5.541,1291 7.091,1293 8.741,1295 10.446,1297 3.554,1302 9.808,1303 0.176,1306 5.092,1309 1.794,1314 33.643,1315 75.715,1316 185.384,1317 236.683,1318 260.683,1319 262.683,1320 262.683,1321 60.933,1322 7.828,1323 81.42,1324 81.42,1325 24,1326 12.821,1327 4.459,1328 3.7,1329 46.514,1330 103,1331 118,1332 0.219,1333 205.858,1334 367.1,1335 494.053,1336 24615,1338 21.25,1339 0.708,1340 0.554,1341 21.25,1342 16.624,1343 14.49,1344 0.439,1345 0.29,1346 9.445,1347 13.973,1348 9.177,1349 7.626,1350 14.49,1351 9.562,1352 13.047,1353 0.278,1354 0.147,1355 13.047,1356 6.901,1357 11.28,1358 0.174,1359 0.076,1360 11.28,1361 4.954,1362 9.7,1363 0.11,1364 0.04,1365 9.7,1366 3.513,1367 7.843,1368 0.066,1369 0.02,1370 7.843,1371 2.421,1372 0.33,1373 90.62,1374 0.214,1375 27.597,1376 0.646,1377 160,1378 498.647,1379 174.21,1380 480.27,1381 654.68,1382 448,1383 192,1384 480.743,1385 205.966,1386 487.364,1387 716.84,1388 459,1389 5.1}
{0 CHEMBL1996791,1 1.782,2 7.111,3 1.48,4 2.189,5 78.385,6 11.225,7 0.5,8 3.604,9 3.737,10 3.521,11 3.166,12 4.698,13 3.11,14 4.16,15 4.339,16 4.037,17 3.601,18 5.2,19 3.518,20 4.463,21 4.697,22 4.212,23 3.755,24 5.434,25 3.616,26 4.476,27 4.737,28 4.337,29 3.704,30 5.493,31 3.533,32 4.267,33 4.532,34 4.007,35 3.654,36 5.133,37 3.375,38 3.965,39 4.166,40 3.781,41 3.494,42 4.995,43 3.201,44 3.89,45 4.134,46 3.348,47 3.181,48 4.976,49 2.898,50 3.617,51 3.925,52 3.122,53 2.565,54 4.649,55 2.351,56 0.088,57 0.537,58 2.213,59 2.865,60 11.579,61 3.373,62 0.182,63 0.871,64 9.104,65 5.202,66 20.228,67 6.377,68 0.309,69 1.028,70 20.392,71 7.78,72 34.311,73 8.949,74 0.436,75 1.007,76 27.133,77 7.63,78 45.978,79 8.973,80 0.323,81 0.819,82 41.961,83 9.09,84 28.901,85 8.593,86 0.165,87 0.662,88 46.631,89 8.403,90 19.685,91 6.885,92 0.203,93 0.528,94 40.868,95 6.827,96 25.512,97 5.829,98 0.164,99 0.32,100 23.06,101 4.086,102 22.87,103 3.924,104 10,105 29,106 0.337,107 0.679,108 0.769,109 0.816,110 0.816,111 0.816,112 2.963,113 1.06,114 -3.84,115 -3.8,116 -3.61,119 34.4,121 4,127 2,143 1,147 2,148 1,161 1,163 1,164 1,165 1,166 1,172 2,174 2,175 7,177 1,178 1,180 3,183 3,185 1,187 1,188 5,193 2,196 2,199 2,200 6,202 3,203 3,205 1,208 2,210 1,213 2,216 1,221 4,225 2,228 1,230 2,233 2,235 2,238 2,241 1,243 3,248 2,255 1,267 1,268 1,271 1,276 336,277 12.069,278 12.069,279 12.069,280 12.069,281 12.069,282 10.846,283 13.404,284 6.96,285 12.549,286 9.849,287 9.849,288 9.849,289 9.849,290 9.849,291 7.998,292 12.222,293 3.282,294 10.726,295 3.218,296 1.413,297 0.938,298 0.688,299 0.688,300 0.688,301 3.636,304 1,305 1,306 1,307 276,308 1.871,311 32.362,312 88.694,315 62.064,319 1.025,320 18.641,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 38.9,332 128,333 4.716,334 3.411,335 6.957,336 4.225,337 3.292,338 4.689,340 11.754,341 3.06,342 3.875,343 2.839,344 6.131,345 3.644,346 2.685,347 3.233,349 8.799,350 2.57,351 3.424,352 2.52,353 5.186,354 3.235,355 2.289,356 2.718,358 6.255,359 2.157,360 3.356,361 2.334,362 4.948,363 2.796,364 1.97,365 2.491,367 5.397,368 1.689,369 3.014,370 1.888,371 4.87,372 2.698,373 1.784,374 2.093,376 5.279,377 1.459,378 2.64,379 1.273,380 4.141,381 2.076,382 1.176,383 1.702,385 3.143,386 1.035,387 2.309,388 1.108,389 3.626,390 2,391 1.015,392 1.265,394 2.559,395 1,396 2,397 1,398 3.414,399 1.933,400 1,401 1,403 2.275,404 0.796,405 1.088,406 0.156,407 2.63,408 0.776,409 -0.151,410 -0.164,412 -0.346,413 -0.099,414 0.865,415 0.087,416 2.421,417 0.582,418 -0.302,419 -0.36,421 -0.677,422 -0.139,423 0.77,424 -0.274,425 2.282,426 0.17,427 -0.573,428 -0.738,430 -1.431,431 -0.329,432 0.32,433 -0.734,434 2,436 -0.944,437 -1,439 -2.57,440 -0.797,442 -1,443 2,444 -0.128,445 -1,446 -1.111,448 -3,449 -1,450 -0.074,451 -1.158,452 1.601,453 -0.417,454 -1.324,455 -1.482,457 -3.258,458 -1.185,459 -0.257,460 -1.245,461 1.525,462 -0.521,463 -1.407,464 -1.802,466 -3.471,467 -1.235,468 9.476,469 0.526,470 0.507,471 0.028,472 20.75,473 1.153,474 8.5,475 0.472,476 12.25,477 0.681,478 17.248,479 0.958,480 19.324,481 0.604,482 10.328,483 0.574,484 3.353,485 0.186,486 5.312,487 0.295,488 0.251,490 0.359,496 0.968,497 1.249,498 0.463,499 0.568,500 1.032,501 0.788,502 0.784,503 1.194,504 0.503,505 0.669,506 0.688,507 0.883,508 1.083,509 1.129,510 0.552,511 0.64,512 0.989,513 0.827,514 0.999,515 0.866,516 0.7,517 0.756,518 0.946,519 0.829,520 0.902,521 0.761,522 1.369,523 1.164,524 0.764,525 1.006,526 0.804,527 1.259,528 2.234,529 2.03,530 0.832,531 1.605,532 1.059,533 1.156,534 1.778,535 1.686,536 1.25,537 1.46,538 1.278,539 0.84,540 0.889,541 1.006,542 1.42,543 0.971,544 3.5,546 2.444,547 1.854,548 1.046,549 0.549,550 0.287,551 0.227,552 0.082,553 0.016,554 2577,555 8065,556 2.086,557 43.8,559 2,561 1,562 3,564 8,567 1.591,568 1.929,569 2.834,570 1.306,572 1,574 1,576 1,577 57.034,578 1.782,579 3.587,580 4.063,581 4.313,582 4.313,583 4.313,584 2.261,585 3.642,586 4.142,587 2.912,588 445.592,589 7.049,590 4038.97,591 1,592 1,594 1,595 160,596 1.481,597 4.09,598 0.175,600 0.084,601 0.064,602 0.042,603 0.03,604 0.019,605 0.023,606 0.016,607 0.008,608 0.462,609 0.5,610 1,611 0.662,612 74.418,613 -0.089,614 -0.058,615 -0.004,616 0.024,617 -0.134,618 0.038,619 0.064,620 -0.103,621 0.024,622 -0.028,623 0.069,624 -0.018,625 -0.09,626 -0.186,627 0.044,628 0.054,629 -0.037,630 0.074,631 0.017,632 0.061,633 0.063,634 0.053,635 0.006,636 0.093,637 -0.103,638 0.209,639 -0.071,640 0.052,641 -0.119,642 0.046,643 -0.047,644 -0.15,645 -0.248,646 -0.301,647 -0.073,648 -0.44,649 -0.067,650 -0.175,651 -0.201,652 -0.27,653 -0.119,654 -0.387,655 -0.125,656 -0.062,657 0.018,658 -0.09,659 -0.075,660 0.003,661 1.498,662 3.56,663 0.833,664 10.63,665 1.01,666 1.141,667 2.607,668 6.797,669 0.717,670 3.045,671 3.401,672 3.714,673 4.025,674 4.234,675 4.277,676 4.344,677 4.407,678 4.331,679 4.094,680 4.246,681 0.649,682 359.2,683 3.045,684 4.595,685 5.468,686 6.372,687 7.266,688 8.177,689 9.08,690 9.993,691 10.901,692 11.816,693 15.6,697 1,701 1,703 3,708 2,709 1,710 3,714 2,715 1,716 10,727 1,734 1,735 32,737 10,739 20,741 34,742 11,743 5,748 3,749 4,757 6,760 6,762 5,763 6,779 1,780 1,783 14,784 5,785 3,786 7,787 1,788 1,792 5,797 0.667,798 1,800 1,807 1,810 1,815 1,816 2,819 1,841 1,843 2,850 1,851 18,852 1,857 1,858 4,863 2,873 1,874 3.1,875 1,881 9.333,882 5.476,883 3.889,884 1.98,886 2.096,887 1.319,888 0.964,889 3.316,890 8.66,891 3.258,892 3.897,893 4.55,894 5.203,895 5.682,896 5.993,897 6.333,898 6.641,899 6.559,900 6.445,901 0.8,902 29,903 6.654,905 2.883,906 7.747,907 12.838,909 10.961,911 2.247,912 40.453,913 0.002,916 129.482,917 83.386,918 84.908,920 42.683,922 56.782,923 26.604,924 172.165,925 84.908,927 10.138,928 75.581,929 63.72,930 12.968,931 3.559,932 174.493,934 129.482,935 111.512,936 42.683,938 56.782,939 35.313,940 94.169,941 42.683,943 22.249,944 39.029,945 50.234,946 56.782,947 129.482,948 127.591,949 26.604,950 56.782,952 129.482,953 17.985,954 67.177,956 125.815,957 129.482,958 127.591,959 26.604,960 56.782,961 0.592,962 0.355,963 0.199,964 0.11,965 16,966 7,967 0.029,968 1,969 1,970 1.133,971 2.982,972 135.954,973 0.133,974 15,975 71.059,981 12.412,982 4.809,983 2.192,984 1.637,985 125.815,986 1.476,987 12.845,991 1.318,992 1.945,993 75.581,994 340.459,995 25,1007 32.323,1008 36.498,1009 0.356,1010 0.717,1011 0.813,1012 0.863,1013 0.863,1014 0.863,1015 4.516,1016 1,1017 5.476,1018 2.559,1019 4.078,1020 4.58,1022 6.34,1023 3.918,1024 5.733,1025 -0.151,1026 7.069,1027 2.275,1028 3.761,1029 4.543,1031 7.361,1032 3.476,1033 7.06,1034 -0.302,1035 8.765,1036 -0.346,1037 5.714,1038 6.87,1040 10.509,1041 5.437,1042 8.429,1043 -0.573,1044 10.521,1045 -0.677,1046 6.217,1047 7.731,1049 12.401,1050 5.837,1051 9.838,1052 -0.944,1053 12.318,1054 -1.431,1055 7.675,1056 9.567,1058 15.084,1059 7.275,1060 11.276,1061 -1,1062 14.145,1063 -2.57,1064 8.555,1065 10.832,1067 17.323,1068 8.059,1069 12.738,1070 -1.324,1071 15.993,1072 -3,1073 9.828,1074 12.484,1076 19.855,1077 9.29,1078 3.292,1079 -1.407,1080 17.859,1081 -3.258,1082 10.88,1083 13.918,1085 22.23,1086 10.25,1087 2.685,1088 11.754,1089 19.738,1090 -3.471,1091 12.088,1092 15.503,1094 24.712,1095 11.4,1096 2.289,1097 8.799,1098 21.628,1099 4.689,1100 13.214,1101 17.004,1103 27.139,1104 12.441,1105 1.97,1106 6.255,1107 23.526,1108 3.233,1109 14.402,1110 18.564,1112 29.606,1113 13.562,1114 1.784,1115 5.397,1116 25.431,1117 2.718,1118 15.562,1119 20.092,1121 32.054,1122 14.64,1123 1.176,1124 5.279,1125 27.342,1126 2.491,1127 16.746,1128 21.642,1130 34.518,1131 15.752,1132 1.015,1133 3.143,1134 29.257,1135 2.093,1136 17.92,1137 23.18,1139 36.974,1140 16.848,1141 2555,1142 4624,1143 13.235,1144 22.949,1145 30.669,1146 30.403,1147 32.148,1148 30.736,1149 30.423,1150 38.383,1152 90.924,1153 27.532,1154 5.716,1155 5.411,1156 6.485,1157 5.299,1158 5.292,1159 7.689,1161 19.137,1162 5.06,1163 8.537,1164 1.533,1165 1.52,1166 1.607,1167 1.537,1168 1.521,1169 1.919,1171 4.546,1172 1.377,1173 4.107,1174 4.159,1175 10.695,1176 4.061,1177 6.449,1178 3.979,1179 3.809,1180 3.859,1181 4.041,1182 3.719,1183 5.251,1184 3.68,1185 3.337,1186 3.42,1187 3.685,1188 3.416,1189 4.856,1190 3.111,1191 3.111,1192 3.206,1193 3.247,1194 3.035,1195 4.502,1196 2.942,1197 3.074,1198 3.131,1199 2.882,1200 2.941,1201 4.097,1202 2.91,1203 2.972,1204 3.083,1205 2.866,1206 2.645,1207 3.709,1208 2.678,1209 2.464,1210 2.545,1211 2.818,1212 2.632,1213 3.474,1214 2.31,1215 2.287,1216 2.378,1217 2.147,1218 1.92,1219 3.314,1220 1.933,1221 0.236,1222 0.171,1223 0.348,1224 0.211,1225 0.165,1226 4.716,1227 0.234,1228 3.411,1230 6.957,1231 0.588,1232 4.225,1233 0.153,1234 3.292,1235 4.689,1237 11.754,1238 3.06,1239 1.896,1240 1.847,1241 2.078,1242 2.073,1243 1.467,1244 2.07,1245 1.772,1246 1.734,1247 1.817,1248 1.934,1249 0.943,1250 1.917,1251 1.322,1252 1.26,1253 1.513,1254 1.594,1255 0.825,1256 1.56,1257 1.153,1258 1.064,1259 1.466,1260 1.376,1261 0.745,1262 1.429,1263 1.018,1264 0.963,1265 1.191,1266 1.264,1267 0.178,1268 1.259,1269 0.819,1270 0.713,1271 0.991,1272 1.154,1273 0.006,1274 1.16,1275 0.712,1276 0.615,1277 0.945,1278 1.002,1280 0.999,1281 0.182,1282 0.081,1283 0.785,1284 0.709,1286 0.713,1287 3.714,1289 5.056,1290 2.398,1291 6.603,1292 4.844,1293 8.242,1294 7.05,1295 9.93,1300 2.163,1301 5.873,1302 9.56,1303 3.502,1308 0.135,1314 20.773,1315 57.034,1316 114.781,1317 130,1318 138,1319 138,1320 138,1321 26.916,1322 6.564,1323 89.85,1324 89.85,1325 17,1326 12.329,1327 3.459,1328 2.585,1329 25.614,1330 45,1331 50,1332 0.293,1333 137.949,1334 218.49,1335 328.355,1336 5029,1337 3.1,1338 12.698,1339 0.705,1340 0.662,1341 14.198,1342 11.909,1343 8.665,1344 0.433,1345 0.353,1346 5.958,1347 7.636,1348 5.823,1349 4.759,1350 9.531,1351 7.067,1352 8.046,1353 0.277,1354 0.196,1355 9.159,1356 5.677,1357 6.865,1358 0.172,1359 0.106,1360 7.796,1361 4.243,1362 5.982,1363 0.109,1364 0.059,1365 7.254,1366 3.26,1367 4.779,1368 0.07,1369 0.034,1370 5.833,1371 2.335,1372 0.434,1373 68.276,1374 0.275,1375 17.591,1376 0.883,1377 98,1378 279.691,1379 261.635,1380 312.209,1381 418.66,1382 290,1383 118,1384 287.875,1385 189.281,1386 302.732,1387 448.83,1388 285,1389 5.3}
{0 CHEMBL1996817,1 1.473,2 8.35,3 3.774,4 14.243,5 79.58,6 7.226,7 0.727,8 3.708,9 3.83,10 3.262,11 3.258,12 4.782,13 3.234,14 4.221,15 4.397,16 3.565,17 3.619,18 5.241,19 3.567,20 4.4,21 4.624,22 3.578,23 3.669,24 5.312,25 3.597,26 4.361,27 4.573,28 3.571,29 3.607,30 5.366,31 3.55,32 4.332,33 4.547,34 3.455,35 3.575,36 5.292,37 3.505,38 4.292,39 4.515,40 3.36,41 3.52,42 5.261,43 3.438,44 4.232,45 4.479,46 3.087,47 3.418,48 5.116,49 3.288,50 4.107,51 4.382,52 2.696,53 3.255,54 4.869,55 3.056,56 0.021,57 0.542,58 7.744,59 3.295,60 6.562,61 4.42,62 0.202,63 0.849,64 14.307,65 5.54,66 17.821,67 7.505,68 0.12,69 0.946,70 18.051,71 6.754,72 16.912,73 9.454,74 0.282,75 0.912,76 17.526,77 6.056,78 24.898,79 8.397,80 0.19,81 0.898,82 16.986,83 5.69,84 22.514,85 7.939,86 0.178,87 0.89,88 16.198,89 5.109,90 22.089,91 7.398,92 0.179,93 0.806,94 15.59,95 5.133,96 20.976,97 7.464,98 0.118,99 0.676,100 13.931,101 5.186,102 16.214,103 7.594,104 6,105 29,106 0.265,107 0.618,108 0.777,109 0.833,110 0.847,111 0.847,112 3.059,113 0.941,114 -4.84,115 -4.75,116 -4.46,119 43.2,120 1,121 2,125 1,142 5,143 3,147 1,148 1,151 1,161 1,172 10,174 2,175 4,178 1,180 2,183 10,188 4,193 1,196 7,199 1,200 5,203 2,205 2,208 4,213 7,218 2,221 3,225 8,230 2,233 3,238 4,243 1,246 4,250 1,255 1,258 5,272 5,276 528,277 14.113,278 14.113,279 14.113,280 14.113,281 14.113,282 12.275,283 5.392,284 8.815,285 14.43,286 10.874,287 10.874,288 10.874,289 10.874,290 10.874,291 8.156,292 5.814,293 4.153,294 11.378,295 3.736,296 1.778,297 0.895,298 0.581,299 0.507,300 0.507,301 3.744,304 1,305 1,306 1,307 357,308 2.55,311 37.852,312 102.751,315 73.196,319 1.22,320 11.792,321 1,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 42.5,332 167,333 4.674,334 3.312,335 6.908,336 4.212,337 3.24,338 4.631,339 0.86,340 11.616,341 3.155,342 3.951,343 2.693,344 5.872,345 3.526,346 2.554,347 3.528,349 8.098,350 2.479,351 3.5,352 2.353,353 5.203,354 3.028,355 2.13,356 2.878,358 6.25,359 1.907,360 3.245,361 1.763,362 4.547,363 2.736,364 1.763,365 2.598,367 4.46,368 1.712,369 2.813,370 1.738,371 3.906,372 2.577,373 1.607,374 1.958,376 3.165,377 1.556,378 2.66,379 1.334,380 3.635,381 2.284,382 1.33,383 1.667,385 3,386 1.265,387 2.5,388 1.109,389 3.495,390 2,391 1,392 1.5,394 2.469,395 1,396 2.5,397 1,398 3.313,399 1.959,400 1,401 1.5,403 2.136,404 0.957,405 2.203,406 1,407 3.247,408 1.817,409 0.899,410 1.11,412 1.963,413 0.818,414 1.748,415 0.664,416 2.811,417 1.479,418 0.545,419 0.653,421 1.049,422 0.506,423 1.033,424 -0.025,425 2.347,426 0.746,427 -0.183,428 -0.207,430 -0.336,431 -0.169,432 0.828,433 -0.523,434 2.31,435 0.378,436 -0.593,437 -0.809,439 -1.407,440 -0.573,441 0.507,442 -0.594,443 2,444 0.196,445 -0.729,446 -0.877,448 -1.478,449 -0.668,450 0.5,451 -1,452 1.881,454 -1,455 -1.5,457 -2.347,458 -0.955,459 0.5,460 -1,461 1.606,462 -0.046,463 -1,464 -1.5,466 -2.517,467 -1,468 9.533,469 0.477,470 0.274,471 0.014,472 27.5,473 1.375,474 14.5,475 0.725,476 13,477 0.65,478 13.495,479 0.675,480 21.067,481 0.569,482 16.824,483 0.841,484 5.285,485 0.264,486 4.613,487 0.231,488 0.052,490 0.262,496 0.901,497 1.308,498 0.806,499 1.095,500 0.827,501 0.962,502 0.989,503 0.942,504 0.915,505 0.962,506 0.907,507 0.942,508 1.021,509 1.091,510 0.78,511 0.969,512 0.848,513 0.872,514 1.239,515 0.958,516 0.898,517 0.913,518 1.03,519 0.88,520 1.582,521 1.097,522 1.075,523 0.953,524 1.313,525 0.957,526 1.457,527 1.143,528 1.214,529 1.039,530 1.356,531 1.072,532 1.294,533 0.996,534 1.287,535 1.046,536 1.402,537 1.133,538 0.717,539 1.013,540 1.2,541 1.166,542 0.967,543 1.227,544 2,545 0.021,546 1.778,547 1.125,548 0.854,549 0.434,550 0.217,551 0.176,552 0.084,553 0.026,554 3591,555 8244,556 2.138,557 45.9,558 5,559 7,560 1,561 1,562 1,564 2,567 1.623,568 2.069,569 3.041,570 -0.32,572 1,574 1,577 54.508,578 1.473,579 3.431,580 4.314,581 4.628,582 4.703,583 4.703,584 2.471,585 3.884,586 4.286,587 3.137,588 596.009,589 7.352,590 5984.34,591 1,592 1,593 1,594 1,595 192.75,596 1.076,597 4.283,598 0.091,599 0.007,600 0.061,601 0.039,602 0.031,603 0.017,604 0.01,605 0.011,606 0.008,607 0.005,608 0.28,609 0.5,610 1,611 1.297,612 87.493,613 -0.018,614 -0.166,615 0.062,616 -0.066,617 0.017,618 -0.003,619 0.151,620 0.128,621 0.021,622 0.03,623 0.106,624 0.007,625 0.031,626 -0.132,627 0.191,628 0.027,629 0.116,630 0.111,631 0.185,632 0.045,633 0.101,634 0.044,635 0.162,636 0.056,637 -0.221,638 -0.083,639 -0.084,640 -0.003,641 -0.14,642 -0.026,643 -0.256,644 -0.071,645 -0.235,646 -0.123,647 -0.196,648 -0.163,649 -0.266,650 0.023,651 -0.31,652 -0.113,653 -0.324,654 -0.195,655 -0.099,656 -0.09,657 -0.245,658 -0.183,659 -0.175,660 -0.224,661 1.011,662 2.309,663 0.75,664 14.52,665 0.995,666 1.125,667 3.608,668 13.015,669 0.67,670 3.135,671 3.401,672 3.714,673 4.025,674 4.234,675 4.29,676 4.394,677 4.466,678 4.394,679 4.331,680 4.874,681 0.634,682 267.36,683 3.135,684 4.635,685 5.485,686 6.358,687 7.238,688 8.129,689 9.022,690 9.921,691 10.82,692 11.723,693 8.1,701 1,703 2,708 2,709 7,710 2,711 1,714 3,716 16,733 1,735 37,737 16,738 1,739 22,741 39,742 16,743 12,744 1,745 5,748 3,749 4,754 1,760 2,762 12,763 4,780 1,783 17,784 3,785 1,786 4,792 3,797 0.667,798 1,810 1,811 1,815 1,816 2,819 1,843 2,847 1,851 20,858 3,861 1,874 2.7,879 1,881 9.667,882 6.9,883 4.611,884 2.449,886 3.17,887 1.469,888 0.998,889 3.863,890 9.927,891 3.434,892 4.039,893 4.715,894 5.39,895 5.936,896 6.274,897 6.725,898 7.15,899 7.339,900 7.614,901 0.833,902 29,903 7.358,905 3.023,906 7.542,907 14.301,909 11.452,911 2.042,912 40.833,913 0.001,916 188.338,917 99.008,918 50.357,920 11,923 99.008,924 199.338,925 50.357,926 8.825,927 9.661,928 56.429,929 47.057,930 45.348,931 16.586,932 164.795,934 188.338,935 149.365,936 11,939 164.795,940 34.542,943 45.606,944 70.187,945 33.571,947 188.338,948 61.356,949 99.008,952 188.338,953 25.135,954 73.872,955 16.786,956 44.571,957 188.338,958 61.356,959 99.008,961 0.552,962 0.328,963 0.194,964 0.109,965 14,966 5,967 0.128,968 5,969 1,970 1.133,971 3.288,972 150.784,973 0.133,974 15,975 82.439,981 12.98,982 5.953,983 2.65,984 1.764,985 44.571,986 13.7,987 8.553,988 3.186,991 2.866,993 16.786,994 348.702,995 30,1007 36.818,1008 41.611,1009 0.283,1010 0.659,1011 0.828,1012 0.888,1013 0.903,1014 0.903,1015 4.615,1016 1,1017 5.425,1018 2.469,1019 4.078,1020 4.723,1021 0.908,1022 6.236,1023 3.993,1024 5.802,1025 0.899,1026 6.967,1027 2.136,1028 3.434,1029 4.407,1031 7.186,1032 3.339,1033 7.098,1034 0.545,1035 8.627,1036 1.963,1037 5.631,1038 6.995,1039 0.739,1040 10.371,1041 5.481,1042 8.445,1043 -0.183,1044 10.363,1045 1.049,1046 5.969,1047 7.677,1049 12.269,1050 5.817,1051 9.837,1052 -0.593,1053 12.152,1054 -0.336,1055 7.537,1056 9.634,1057 0.593,1058 14.948,1059 7.342,1060 11.262,1061 -0.729,1062 13.976,1063 -1.407,1064 8.34,1065 10.779,1067 17.192,1068 8.138,1069 12.713,1070 -1,1071 15.825,1072 -1.478,1073 9.656,1074 12.48,1075 0.469,1076 19.717,1077 9.42,1078 3.24,1079 -1,1080 17.692,1081 -2.347,1082 10.67,1083 13.841,1085 22.091,1086 10.419,1087 2.554,1088 11.616,1089 19.572,1090 -2.517,1091 11.89,1092 15.437,1093 0.366,1094 24.566,1095 11.61,1096 2.13,1097 8.098,1098 21.463,1099 4.631,1100 12.995,1101 16.894,1103 26.988,1104 12.695,1105 1.763,1106 6.25,1107 23.361,1108 3.528,1109 14.181,1110 18.449,1111 0.283,1112 29.447,1113 13.854,1114 1.607,1115 4.46,1116 25.266,1117 2.878,1118 15.325,1119 19.948,1121 31.888,1122 14.974,1123 1.33,1124 3.165,1125 27.175,1126 2.598,1127 16.5,1128 21.488,1129 0.217,1130 34.342,1131 16.124,1132 1,1133 3,1134 29.089,1135 1.958,1136 17.661,1137 23.006,1139 36.789,1140 17.259,1141 3551,1142 5511,1143 15.197,1144 24.801,1145 32.314,1146 32.368,1147 33.143,1148 32.145,1149 32.136,1150 44.047,1151 1.72,1152 88.413,1153 30.708,1154 5.518,1155 5.312,1156 6.817,1157 5.295,1158 5.24,1159 7.631,1160 1.72,1161 18.811,1162 5.155,1163 5.824,1164 1.469,1165 1.471,1166 1.507,1167 1.461,1168 1.461,1169 2.002,1170 0.078,1171 4.019,1172 1.396,1173 4.125,1174 4.161,1175 4.098,1176 4.017,1177 5.149,1178 4.031,1179 3.817,1180 3.853,1181 3.749,1182 3.723,1183 4.747,1184 3.727,1185 3.667,1186 3.735,1187 3.495,1188 3.515,1189 4.553,1190 3.497,1191 3.328,1192 3.397,1193 3.24,1194 3.096,1195 4.349,1196 3.123,1197 3.155,1198 3.238,1199 2.984,1200 2.926,1201 4.063,1202 2.921,1203 2.887,1204 2.955,1205 2.76,1206 2.735,1207 3.734,1208 2.716,1209 2.854,1210 2.925,1211 2.687,1212 2.708,1213 3.674,1214 2.715,1215 2.684,1216 2.752,1217 2.538,1218 2.497,1219 3.509,1220 2.506,1221 0.212,1222 0.151,1223 0.314,1224 0.191,1225 0.147,1226 4.674,1227 0.211,1228 3.312,1229 0.039,1230 6.908,1231 0.528,1232 4.212,1233 0.143,1234 3.24,1235 4.631,1236 0.86,1237 11.616,1238 3.155,1239 1.939,1240 1.918,1241 2.037,1242 2.026,1243 1.241,1244 2.023,1245 1.761,1246 1.722,1247 1.962,1248 1.948,1249 1.142,1250 1.937,1251 1.658,1252 1.591,1253 1.798,1254 1.849,1255 0.865,1256 1.868,1257 1.419,1258 1.361,1259 1.577,1260 1.626,1261 0.699,1262 1.617,1263 1.162,1264 1.078,1265 1.525,1266 1.429,1267 0.593,1268 1.464,1269 0.908,1270 0.834,1271 1.181,1272 1.133,1273 0.218,1274 1.134,1275 0.886,1276 0.821,1277 1.117,1278 1.062,1279 0.193,1280 1.107,1281 0.672,1282 0.611,1283 1.039,1284 0.938,1285 0.119,1286 0.969,1287 3.807,1289 5.081,1290 2.398,1291 6.575,1292 4.727,1293 8.178,1294 6.862,1295 9.842,1297 2.143,1303 2.811,1306 5.809,1314 23.467,1315 54.508,1316 126.959,1317 159.63,1318 171.24,1319 173.995,1320 173.995,1321 22.252,1322 6.757,1323 50.8,1324 50.8,1325 17,1326 12.244,1327 4.087,1328 3.17,1329 29.778,1330 55,1331 74,1332 0.264,1333 145.955,1334 238.89,1335 347.89,1336 6878,1338 13.786,1339 0.689,1340 0.573,1341 13.786,1342 11.465,1343 9.898,1344 0.45,1345 0.314,1346 6.818,1347 9.57,1348 6.66,1349 5.594,1350 9.898,1351 6.902,1352 8.163,1353 0.281,1354 0.161,1355 8.163,1356 4.673,1357 7.037,1358 0.176,1359 0.081,1360 7.037,1361 3.257,1362 6.153,1363 0.112,1364 0.04,1365 6.153,1366 2.202,1367 4.959,1368 0.073,1369 0.021,1370 4.959,1371 1.421,1372 0.399,1373 61.66,1374 0.257,1375 19.7,1376 0.773,1377 102,1378 279.359,1379 110.927,1380 272.02,1381 384.05,1382 258,1383 120,1384 292.356,1385 129.316,1386 296.369,1387 436.83,1388 280,1389 7.1}
{0 CHEMBL1996831,1 1.391,2 7.048,3 4.551,4 20.715,5 80.928,6 7.352,7 0.458,8 3.745,9 3.846,10 3.313,11 3.382,12 4.802,13 3.345,14 4.31,15 4.462,16 3.712,17 3.83,18 5.415,19 3.763,20 4.575,21 4.788,22 3.743,23 3.926,24 5.501,25 3.832,26 4.535,27 4.726,28 3.806,29 3.89,30 5.596,31 3.832,32 4.627,33 4.811,34 3.744,35 3.869,36 5.825,37 3.794,38 4.564,39 4.809,40 3.31,41 3.699,42 5.533,43 3.552,44 4.269,45 4.526,46 3.031,47 3.426,48 5.119,49 3.262,50 4.084,51 4.312,52 2.756,53 3.128,54 5.147,55 2.984,56 0.027,57 0.491,58 7.655,59 3.778,60 5.556,61 4.776,62 0.142,63 0.869,64 14.581,65 6.779,66 29.64,67 9.01,68 0.103,69 1.127,70 20.741,71 8.759,72 16.613,73 11.978,74 0.118,75 1.086,76 19.684,77 7.9,78 18.779,79 10.487,80 0.312,81 1.14,82 22.352,83 8.481,84 52.112,85 10.8,86 0.264,87 1.048,88 22.487,89 8.495,90 46.723,91 11.283,92 0.108,93 0.77,94 16.482,95 6.82,96 21.89,97 9.345,98 0.187,99 0.606,100 14.068,101 5.24,102 37.778,103 6.595,104 6,105 35,106 0.248,107 0.613,108 0.721,109 0.815,110 0.824,111 0.824,112 3.106,113 0.952,114 -3.39,115 -3.38,116 -3.23,119 47.4,121 6,136 2,142 4,143 3,146 2,158 1,167 1,170 1,172 15,173 1,175 5,178 1,180 1,183 18,184 2,188 8,193 2,196 14,197 2,200 5,201 1,205 2,208 14,209 4,212 1,213 6,216 1,218 4,221 15,222 2,225 2,230 2,233 12,234 2,238 2,243 2,246 9,247 2,250 2,255 2,258 6,272 2,276 463,277 14.483,278 14.483,279 14.483,280 14.483,281 14.483,282 12.805,283 12.324,284 8.474,285 14.537,286 11.871,287 11.871,288 11.871,289 11.871,290 11.871,291 9.181,292 12.223,293 3.991,294 11.968,295 3.856,296 1.816,297 1.211,298 0.684,299 0.632,300 0.632,301 3.803,305 1,306 1,307 329,308 2.55,311 71.707,312 77.722,315 56.05,316 65.977,319 1.102,320 20.434,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 44.5,332 148,333 4.738,334 3.682,335 7.042,336 4.336,337 3.346,338 4.63,339 1.437,340 12.093,341 3.312,342 4.287,343 3.341,344 6.493,345 3.895,346 2.898,347 3.819,348 0.68,349 10.089,350 2.889,351 3.858,352 2.931,353 5.848,354 3.435,355 2.444,356 3.328,358 7.922,359 2.418,360 3.557,361 2.591,362 5.497,363 3.247,364 2.258,365 2.833,367 6.857,368 2.223,369 3.042,370 2.062,371 4.535,372 2.579,373 1.582,374 2.215,376 4.128,377 1.564,378 2.912,379 1.647,380 4.366,381 2.515,382 1.529,383 2.075,385 3.968,386 1.504,387 2.691,388 1.458,389 3.94,390 2.377,391 1.377,392 1.698,394 3.079,395 1.375,396 2.407,397 1.231,398 3.63,399 2.103,400 1.116,401 1.371,403 2.849,404 1.1,405 2.027,406 1.066,407 3.35,408 1.868,409 0.868,410 0.956,412 2.067,413 0.867,414 1.619,415 0.853,416 3.148,417 1.618,418 0.618,419 0.618,421 1.372,422 0.618,423 1.618,424 0.747,425 3,426 1.382,427 0.388,428 0.468,430 0.998,431 0.383,432 1.149,433 0.379,434 2.811,435 0.692,436 -0.287,437 -0.384,439 -0.818,440 -0.277,441 0.85,442 -0.193,443 2.445,444 0.407,445 -0.575,446 -0.794,448 -1.5,449 -0.563,450 0.546,451 -0.539,452 2.047,453 0.06,454 -0.95,455 -1.283,457 -2,458 -0.927,459 0.4,460 -0.891,461 2,462 -0.022,463 -1,464 -1.396,466 -2.389,467 -0.991,468 10.067,469 0.479,470 0.504,471 0.024,472 26,473 1.238,474 13,475 0.619,476 13,477 0.619,478 17.597,479 0.838,480 21.733,481 0.572,482 16.455,483 0.784,484 4.653,485 0.222,486 5.601,487 0.267,488 0.066,490 0.397,496 0.712,497 0.988,498 0.783,499 0.913,500 0.656,501 0.868,502 0.361,503 1.069,504 0.797,505 0.995,506 0.307,507 0.96,508 0.586,509 1.092,510 0.828,511 0.991,512 0.542,513 0.947,514 0.924,515 1.042,516 0.855,517 0.969,518 0.822,519 0.901,520 1.419,521 1.122,522 1.182,523 1.135,524 1.416,525 1.126,526 1.298,527 0.901,528 1.183,529 0.98,530 1.267,531 1.05,532 0.724,533 1.013,534 0.973,535 1.096,536 0.82,537 1.078,538 1.845,539 1.052,540 1.351,541 1.136,542 2.034,543 1.184,544 3,546 2.444,547 1.563,548 1.543,549 0.872,550 0.396,551 0.143,552 0.092,553 0.007,554 4000,555 9143,556 2.185,557 44.7,558 12,559 4,562 1,567 1.64,568 2.066,569 2.826,570 -0.385,577 52.876,578 1.391,579 3.432,580 4.037,581 4.564,582 4.616,583 4.616,584 2.267,585 4.107,586 4.365,587 2.942,588 617.892,589 7.521,590 6242.53,592 1,595 199.421,596 1.342,597 4.334,598 0.125,600 0.07,601 0.045,602 0.042,603 0.027,604 0.02,605 0.01,606 0.009,607 0.003,608 0.35,609 1,610 1,611 0.741,612 91.373,613 -0.052,614 0.054,615 0.036,616 0.092,617 -0.032,618 0.077,619 0.218,620 -0.05,621 0.062,622 0.002,623 0.242,624 0.008,625 0.038,626 -0.09,627 0.097,628 -0.011,629 0.034,630 0.039,631 -0.008,632 0.001,633 0.086,634 -0.014,635 0.022,636 0.044,637 -0.017,638 -0.108,639 -0.192,640 -0.195,641 -0.009,642 -0.213,643 -0.173,644 0.055,645 -0.168,646 -0.016,647 -0.13,648 -0.076,649 0.034,650 -0.107,651 0.013,652 -0.099,653 -0.027,654 -0.055,655 -0.247,656 -0.156,657 -0.29,658 -0.17,659 -0.301,660 -0.228,661 2.498,662 4.759,663 0.857,664 13.669,665 0.995,666 1.112,667 2.165,668 4.686,669 0.684,670 3.219,671 3.584,672 3.951,673 4.317,674 4.543,675 4.718,676 4.92,677 5.037,678 5.056,679 4.997,680 4.434,681 0.649,682 279.36,683 3.219,684 4.779,685 5.673,686 6.592,687 7.508,688 8.435,689 9.36,690 10.29,691 11.218,692 12.15,693 2.6,703 1,708 2,709 4,710 1,714 3,716 11,725 1,735 38,737 13,738 1,739 24,741 41,742 18,743 9,744 2,745 4,746 3,748 4,749 7,757 6,760 6,762 12,763 6,767 2,772 1,776 3,780 1,783 17,784 3,785 1,786 3,792 1,797 0.5,798 2,809 1,815 2,816 2,819 1,820 1,835 2,841 1,843 2,851 21,857 1,858 6,874 5.3,876 1,877 1,881 10.167,882 6.9,883 4.528,884 2.629,886 2.953,887 1.404,888 1.017,889 2.9,890 10.254,891 3.481,892 4.135,893 4.808,894 5.483,895 6.102,896 6.536,897 7.03,898 7.435,899 7.749,900 7.848,901 0.8,902 35,903 7.834,905 3.503,906 7.706,907 15.288,909 13.495,911 2.206,912 46.333,913 0.001,916 188.338,917 74.238,918 16.786,920 67.828,923 74.238,924 256.166,925 16.786,927 15.207,928 37.905,929 85.524,930 20.216,932 188.338,934 188.338,935 91.024,936 67.828,939 188.338,940 67.828,943 20.108,944 54.13,945 16.786,947 188.338,948 84.614,949 74.238,952 188.338,953 36.333,954 37.905,956 84.614,957 188.338,958 84.614,959 74.238,961 0.586,962 0.359,963 0.217,964 0.115,965 20,966 8,967 0.024,968 1,969 2,970 1.222,971 3.27,972 179.227,973 0.222,974 18,975 88.239,981 12.731,982 4.784,983 1.923,984 1.563,985 84.614,986 7.586,987 4.804,991 2.364,993 42.683,994 347.19,995 31.5,1000 11.759,1004 2.006,1007 37.825,1008 42.239,1009 0.265,1010 0.654,1011 0.769,1012 0.87,1013 0.88,1014 0.88,1015 4.743,1016 1.116,1017 5.673,1018 3.079,1019 4.263,1020 4.82,1021 1.801,1022 6.567,1023 4.245,1024 5.972,1025 0.868,1026 7.276,1027 2.849,1028 3.892,1029 4.771,1031 7.633,1032 3.862,1033 7.314,1034 0.618,1035 8.986,1036 2.067,1037 5.916,1038 7.121,1039 2.297,1040 10.813,1041 5.881,1042 8.701,1043 0.388,1044 10.761,1045 1.372,1046 6.431,1047 7.931,1049 12.736,1050 6.386,1051 10.123,1052 -0.287,1053 12.578,1054 0.998,1055 7.905,1056 9.765,1057 2.933,1058 15.432,1059 7.852,1060 11.571,1061 -0.575,1062 14.423,1063 -0.818,1064 8.805,1065 10.956,1067 17.682,1068 8.742,1069 13.037,1070 -0.95,1071 16.287,1072 -1.5,1073 10.083,1074 12.596,1075 3.621,1076 20.228,1077 10.012,1078 3.346,1079 -1,1080 18.166,1081 -2,1082 11.149,1083 13.964,1085 22.611,1086 11.068,1087 2.898,1088 12.093,1089 20.055,1090 -2.389,1091 12.361,1092 15.528,1093 4.33,1094 25.109,1095 12.271,1096 2.444,1097 10.089,1098 21.953,1099 4.63,1100 13.498,1101 16.98,1103 27.547,1104 13.397,1105 2.258,1106 7.922,1107 23.858,1108 3.819,1109 14.692,1110 18.516,1111 5.048,1112 30.032,1113 14.581,1114 1.582,1115 6.857,1116 25.769,1117 3.328,1118 15.861,1119 20.007,1121 32.496,1122 15.739,1123 1.529,1124 4.128,1125 27.684,1126 2.833,1127 17.053,1128 21.535,1129 5.769,1130 34.979,1131 16.919,1132 1.377,1133 3.968,1134 29.603,1135 2.215,1136 18.236,1137 23.046,1139 37.454,1140 18.092,1141 3797,1142 5859,1143 16.414,1144 26.006,1145 36.633,1146 37.994,1147 37.53,1148 36.896,1149 36.848,1150 48.02,1151 4.233,1152 110.849,1153 36.504,1154 5.584,1155 5.682,1156 6.723,1157 5.381,1158 5.346,1159 7.63,1160 2.873,1161 19.783,1162 5.312,1163 7.591,1164 1.526,1165 1.583,1166 1.564,1167 1.537,1168 1.535,1169 2.001,1170 0.176,1171 4.619,1172 1.521,1173 4.139,1174 4.161,1175 4.106,1176 4.077,1177 7.475,1178 4.081,1179 3.875,1180 3.915,1181 3.782,1182 3.807,1183 6.351,1184 3.796,1185 3.627,1186 3.674,1187 3.515,1188 3.536,1189 4.961,1190 3.524,1191 3.365,1192 3.363,1193 3.306,1194 3.166,1195 4.493,1196 3.187,1197 3.057,1198 3.121,1199 2.951,1200 2.883,1201 4.225,1202 2.893,1203 2.885,1204 2.979,1205 2.772,1206 2.698,1207 3.929,1208 2.691,1209 2.869,1210 2.927,1211 2.64,1212 2.671,1213 3.736,1214 2.663,1215 2.818,1216 2.886,1217 2.583,1218 2.641,1219 3.381,1220 2.635,1221 0.197,1222 0.153,1223 0.293,1224 0.181,1225 0.139,1226 4.738,1227 0.193,1228 3.682,1229 0.06,1230 7.042,1231 0.504,1232 4.336,1233 0.138,1234 3.346,1235 4.63,1236 1.437,1237 12.093,1238 3.312,1239 2.044,1240 2.027,1241 2.103,1242 2.119,1243 1.271,1244 2.114,1245 1.719,1246 1.685,1247 1.885,1248 1.818,1249 1.229,1250 1.842,1251 1.577,1252 1.516,1253 1.86,1254 1.751,1255 1.211,1256 1.793,1257 1.548,1258 1.507,1259 1.721,1260 1.67,1261 0.979,1262 1.684,1263 1.226,1264 1.168,1265 1.473,1266 1.456,1267 0.67,1268 1.454,1269 1.061,1270 1.036,1271 1.214,1272 1.329,1273 0.276,1274 1.289,1275 0.824,1276 0.785,1277 1.062,1278 1.053,1279 0.176,1280 1.072,1281 0.714,1282 0.673,1283 0.945,1284 0.887,1285 0.094,1286 0.92,1287 3.892,1289 5.242,1290 3.045,1291 6.797,1292 5.283,1293 8.457,1294 7.31,1295 10.179,1302 9.655,1303 6.598,1314 24.665,1315 52.876,1316 130.402,1317 153.421,1318 173.421,1319 175.421,1320 175.421,1321 31.287,1322 7.3,1323 50.19,1324 50.19,1325 22,1326 12.651,1327 3.807,1328 3.087,1329 27.733,1330 57,1331 49,1332 0.257,1333 148.154,1334 258.82,1335 353.256,1336 12883,1338 14.397,1339 0.686,1340 0.565,1341 14.397,1342 11.855,1343 10.254,1344 0.427,1345 0.317,1346 7.572,1347 10.053,1348 7.424,1349 6.085,1350 10.254,1351 7.617,1352 9.379,1353 0.268,1354 0.169,1355 9.379,1356 5.925,1357 8.24,1358 0.162,1359 0.093,1360 8.24,1361 4.752,1362 7.62,1363 0.103,1364 0.051,1365 7.62,1366 3.805,1367 5.979,1368 0.064,1369 0.025,1370 5.979,1371 2.369,1372 0.377,1373 63.087,1374 0.247,1375 20.029,1376 0.788,1377 118,1378 297.53,1379 124.482,1380 292.589,1381 407.09,1382 274,1383 145,1384 304.484,1385 150.82,1386 310.308,1387 464.11,1388 295,1389 5.1}
{0 CHEMBL1996923,1 1.877,2 4.273,3 2.719,4 7.39,5 43.99,6 13.43,7 0.833,8 2.863,9 2.954,10 2.903,11 2.526,12 4.176,13 2.532,14 3.27,15 3.366,16 3.321,17 2.896,18 4.625,19 2.887,20 3.327,21 3.428,22 3.488,23 2.887,24 4.735,25 2.813,26 3.074,27 3.23,28 2.98,29 2.393,30 4.442,31 2.332,32 2.435,33 2.62,34 2.706,35 1.666,36 3.962,37 1.618,38 1.219,39 1.33,40 0.403,41 0.664,42 2.222,43 0.454,56 0.104,57 0.232,58 0.828,59 0.733,60 4.975,61 0.604,62 0.168,63 0.329,64 1.576,65 1.228,66 9.91,67 0.988,68 0.253,69 0.277,70 8.93,71 1.793,72 18.176,73 1.475,74 0.214,75 0.193,76 5.114,77 1.482,78 14.397,79 1.008,80 0.138,81 0.054,82 3.807,83 1.067,84 9.788,85 1.139,86 0.049,87 0.004,88 3.792,89 0.368,90 4.543,91 0.311,104 5,105 17,106 0.434,107 0.683,108 0.683,109 0.683,110 0.683,111 0.683,112 2.528,113 0.921,114 -3.51,115 -3.48,116 -3.33,119 42.9,142 2,144 2,146 2,168 2,174 1,175 2,183 2,188 2,193 2,196 4,200 2,213 2,218 2,276 49,277 7.293,278 7.293,279 7.293,280 7.293,281 7.293,282 6.05,283 2.167,284 4.221,285 7.596,286 5.905,287 5.905,288 5.905,289 5.905,290 5.905,291 4.104,292 0.907,293 1.997,294 6.525,295 1.93,296 0.857,297 0.857,298 0.857,299 0.857,300 0.857,301 3.147,302 2,306 1,307 100,308 1.414,311 18.438,312 21.21,315 33.246,319 0.661,320 9.845,323 1,324 0.67,325 0.83,326 0.4,328 1,329 1,330 0.7,331 24.167,332 47,333 4.48,334 3.347,335 6.282,336 3.954,337 3.013,338 4.42,340 9.509,341 2.835,342 3.826,343 2.714,344 5.694,345 3.295,346 2.426,347 3.33,349 7.348,350 1.983,351 3.142,352 2.19,353 4.591,354 2.613,355 1.683,356 2.439,358 4.813,359 1.54,360 2.601,361 1.316,362 3.522,363 2.098,364 1.108,365 1.65,367 2.442,368 1.086,369 2.204,370 1.138,371 3.451,372 1.647,373 0.831,374 1.1,376 2.102,377 0.606,378 1.036,379 0.09,380 2.624,381 0.496,382 -0.285,383 -0.363,385 -0.666,386 -0.186,387 0.861,388 -0.039,389 2.206,390 0.337,391 -0.555,392 -0.744,394 -1.5,395 -0.391,396 0.059,397 -0.994,398 1.545,399 -0.48,400 -1.31,401 -1.745,403 -3.137,404 -0.989,405 -0.085,406 -1.138,407 1.351,408 -0.646,409 -1.381,410 -1.821,412 -3.801,413 -1.131,414 -0.182,415 -1.606,416 1.182,417 -0.738,418 -1.611,419 -2.411,421 -5.112,422 -1.523,423 -0.441,424 -1.898,425 1.053,426 -0.976,427 -1.919,428 -2.854,430 -5.31,431 -1.83,432 -0.5,433 -2,434 0.498,435 -1,436 -2,437 -3,439 -6.688,440 -2,468 5.629,469 0.512,470 0.315,471 0.029,472 15,473 1.364,474 8,475 0.727,476 7,477 0.636,478 6.256,479 0.569,480 11.171,481 0.798,482 7.149,483 0.65,484 2.995,485 0.272,486 2.276,487 0.207,488 0.254,490 0.355,496 0.6,497 0.675,498 0.455,499 0.428,500 0.632,501 0.496,502 0.864,503 1.122,504 0.595,505 0.622,506 0.757,507 0.673,508 1.158,509 1.201,510 1.06,511 1.086,512 1.086,513 1.165,514 1.378,515 1.148,516 1.39,517 1.364,518 1.404,519 1.41,520 0.208,521 0.597,522 1.04,523 1.326,524 0.435,525 0.864,526 3.827,527 0.103,528 5.333,529 3.865,530 4.43,531 3.482,544 2.5,546 1.556,547 0.694,548 0.639,549 0.16,554 603,555 3094,556 2.043,557 21.4,559 2,562 1,567 1.431,568 1.886,569 2.257,570 0.057,577 26.283,578 1.877,579 2.95,580 2.95,581 2.95,582 2.95,583 2.95,584 1.495,585 2.55,586 3.441,587 2.185,588 120.165,589 5.622,590 787.093,595 53.303,596 1.495,597 3.376,598 0.208,600 0.092,601 0.05,602 0.08,603 0.04,608 0.469,609 1,610 1,611 0.762,612 35.466,613 0.038,614 0.455,615 -0.015,616 0.209,617 -0.091,618 0.105,619 -0.168,620 -0.082,621 -0.026,622 0.087,623 -0.09,624 0.015,625 -0.203,626 -0.35,627 -0.038,628 -0.146,629 -0.102,630 -0.241,631 -0.327,632 -0.265,633 -0.294,634 -0.309,635 -0.348,636 -0.357,637 1.209,638 0.106,639 0.591,640 0.121,641 1.072,642 0.742,643 -1.909,644 0.13,645 -2.649,646 -2.08,647 -2.24,648 -1.701,661 1.173,662 1.62,663 0.818,664 3.769,665 1.06,666 1.128,667 2.278,668 5.188,669 0.821,670 2.565,671 2.89,672 3.135,673 3.332,674 3.434,675 3.332,676 3.135,677 2.89,678 1.609,679 0.693,680 2.809,681 0.803,682 188.02,683 2.565,684 4.078,685 4.92,686 5.79,687 6.653,688 7.523,689 8.391,690 9.261,691 10.13,692 11,693 21.4,701 1,703 2,708 2,709 2,710 2,711 1,714 2,716 10,734 2,735 14,737 10,738 1,739 12,741 15,742 6,743 6,744 4,745 2,748 2,749 3,750 2,762 6,783 3,784 2,785 1,786 5,787 2,792 3,797 0.5,815 1,816 1,819 1,843 1,848 2,851 11,871 1,873 2,881 5.833,882 2.602,883 2.389,884 0.73,886 2.098,887 1.399,888 1.012,889 1.565,890 7.35,891 2.89,892 3.59,893 4.232,894 4.849,895 5.316,896 5.572,897 5.774,898 5.954,899 4.64,900 3.282,901 0.667,902 14,903 3.971,904 -0.011,905 1.67,906 7.99,907 7.286,908 -0.005,909 5.78,910 0.004,911 2.49,912 27.389,913 0.009,916 23.542,917 30.242,918 49.867,919 78.297,923 30.242,924 101.839,925 49.867,928 18.952,929 33.326,930 27.83,932 23.542,933 78.297,934 23.542,935 80.108,937 78.297,939 23.542,943 20.829,944 25.954,945 111.623,947 23.542,948 49.867,949 108.539,952 23.542,953 11.289,954 18.952,955 16.54,956 111.623,957 23.542,958 49.867,959 108.539,961 0.592,962 0.35,963 0.175,964 0.088,965 10,966 4,969 1,970 1.222,971 2.288,972 63.376,973 0.222,974 9,975 28.054,981 7.037,982 2.446,983 1.112,984 1.443,985 33.326,986 3.339,987 7.683,988 2.475,991 0.987,993 16.54,994 181.948,995 17,1007 14.836,1008 15.798,1009 0.493,1010 0.775,1011 0.775,1012 0.775,1013 0.775,1014 0.775,1015 4.086,1016 -1.31,1017 4.92,1018 -1.5,1019 3.555,1020 4.27,1022 5.72,1023 3.367,1024 5.336,1025 -1.381,1026 6.482,1027 -3.137,1028 3.219,1029 4.227,1031 6.581,1032 2.809,1033 6.668,1034 -1.611,1035 8.141,1036 -3.801,1037 5.142,1038 6.622,1040 9.647,1041 4.815,1042 8.04,1043 -1.919,1044 9.854,1045 -5.112,1046 5.602,1047 7.406,1049 11.286,1050 5.085,1051 9.442,1052 -2,1053 11.599,1054 -5.31,1055 7.022,1056 9.267,1058 13.858,1059 6.569,1060 10.865,1062 13.364,1063 -6.688,1064 7.832,1065 10.425,1067 15.82,1068 7.241,1069 12.303,1071 15.144,1073 9.055,1074 12.068,1076 18.207,1077 8.488,1078 3.013,1080 16.933,1082 10.022,1083 13.402,1085 20.318,1086 9.355,1087 2.426,1088 9.509,1089 18.73,1091 11.167,1092 14.953,1094 22.628,1095 10.492,1096 1.683,1097 7.348,1098 20.532,1099 4.42,1100 12.204,1101 16.368,1103 24.81,1104 11.452,1105 1.108,1106 4.813,1107 22.339,1108 3.33,1109 13.319,1110 17.881,1112 27.087,1113 12.538,1114 0.831,1115 2.442,1116 24.15,1117 2.439,1118 14.388,1119 19.334,1121 29.303,1122 13.541,1123 -0.285,1124 2.102,1125 25.963,1126 1.65,1127 15.493,1128 20.83,1130 31.565,1131 14.604,1132 -0.555,1133 -0.666,1134 27.779,1135 1.1,1136 16.578,1137 22.3,1139 33.799,1140 15.627,1141 652,1142 1538,1143 7.86,1144 11.494,1145 18.337,1146 18.81,1147 18.747,1148 18.382,1149 18.12,1150 25.875,1152 52.428,1153 16.101,1154 4.98,1155 5.347,1156 5.784,1157 4.954,1158 5.013,1159 7.42,1161 16.197,1162 4.835,1163 4.62,1164 1.528,1165 1.568,1166 1.562,1167 1.532,1168 1.51,1169 2.156,1171 4.369,1172 1.342,1173 4.062,1174 4.106,1175 4.179,1176 3.946,1177 5.241,1178 3.956,1179 3.372,1180 3.429,1181 3.682,1182 3.149,1183 4.879,1184 3.176,1185 2.902,1186 2.949,1187 3.405,1188 2.802,1189 4.494,1190 2.787,1191 2.464,1192 2.52,1193 2.688,1194 2.204,1195 3.788,1196 2.227,1197 1.86,1198 1.891,1199 2.583,1200 1.722,1201 3.762,1202 1.662,1203 1.558,1204 1.707,1205 1.751,1206 1.245,1207 3.005,1208 1.222,1209 1.551,1210 1.609,1211 1.573,1212 1.204,1213 2.645,1214 1.178,1215 0.765,1216 0.968,1217 0.744,1218 0.488,1219 1.698,1220 0.382,1221 0.373,1222 0.279,1223 0.523,1224 0.33,1225 0.251,1226 4.48,1227 0.368,1228 3.347,1230 6.282,1231 0.792,1232 3.954,1233 0.236,1234 3.013,1235 4.42,1237 9.509,1238 2.835,1239 1.884,1240 1.871,1241 1.907,1242 1.948,1243 1.069,1244 1.951,1245 1.208,1246 1.104,1247 1.343,1248 1.657,1249 0.224,1250 1.573,1251 0.873,1252 0.869,1253 0.971,1254 0.959,1256 0.96,1257 0.7,1258 0.616,1259 0.768,1260 0.923,1262 0.952,1265 0.137,1266 0.031,1268 0.109,1287 3.219,1289 4.533,1290 2.398,1291 6.043,1292 4.595,1293 7.646,1294 6.581,1295 9.299,1298 11.462,1314 11.246,1315 26.283,1316 41.303,1317 41.303,1318 41.303,1319 41.303,1320 41.303,1321 10.225,1322 5.252,1323 41.57,1324 41.57,1325 11,1326 11.543,1327 3.459,1328 2.585,1329 15.109,1330 21,1331 11,1332 0.452,1333 78.877,1334 118.7,1335 184.219,1336 868,1337 14.3,1338 7.845,1339 0.713,1340 0.62,1341 8.845,1342 6.817,1343 5.271,1344 0.439,1345 0.307,1346 2.943,1347 4.5,1348 2.834,1349 2.321,1350 5.848,1351 3.683,1352 4.877,1353 0.287,1354 0.17,1355 5.619,1356 2.893,1357 4.137,1358 0.188,1359 0.095,1360 5.025,1361 2.081,1362 3.154,1363 0.117,1364 0.043,1365 3.593,1366 1.153,1367 2.323,1368 0.077,1369 0.025,1370 2.808,1371 0.742,1372 0.631,1373 39.384,1374 0.357,1375 10.658,1376 1.46,1377 58,1378 212.03,1379 93.923,1380 267.13,1381 343.08,1382 246,1383 68,1384 210.375,1385 100.753,1386 230.835,1387 335,1388 216,1389 5.1}
{0 CHEMBL1996931,1 1.56,2 12.192,3 3.464,4 12.001,5 102.649,6 8.153,7 0.643,8 3.89,9 3.994,10 3.524,11 3.512,12 5.058,13 3.479,14 4.371,15 4.512,16 3.856,17 3.886,18 5.512,19 3.823,20 4.658,21 4.852,22 3.903,23 4.015,24 5.742,25 3.917,26 4.703,27 4.917,28 3.769,29 3.94,30 5.789,31 3.832,32 4.659,33 4.879,34 3.737,35 3.868,36 5.84,37 3.771,38 4.596,39 4.819,40 3.657,41 3.803,42 5.697,43 3.695,44 4.501,45 4.725,46 3.64,47 3.665,48 5.682,49 3.575,50 4.294,51 4.486,52 3.539,53 3.535,54 5.555,55 3.452,56 0.037,57 0.583,58 7.868,59 3.985,60 10.917,61 4.953,62 0.139,63 0.933,64 14.425,65 6.586,66 25.068,67 8.359,68 0.245,69 1.195,70 24.15,71 9.238,72 40.994,73 11.977,74 0.269,75 1.21,76 26.438,77 9.855,78 54.397,79 12.58,80 0.357,81 1.169,82 23.891,83 9.164,84 74.69,85 11.806,86 0.222,87 1.084,88 24.411,89 8.867,90 45.407,91 11.46,92 0.293,93 0.946,94 23.187,95 7.977,96 52.713,97 10.044,98 0.327,99 0.753,100 20.764,101 6.484,102 54.317,103 7.747,104 11,105 37,106 0.267,107 0.581,108 0.724,109 0.82,110 0.835,111 0.835,112 3.303,113 0.932,114 -4.23,115 -4.17,116 -3.94,119 46.7,121 1,125 1,127 1,142 10,143 4,144 1,145 2,158 1,172 14,175 3,178 1,180 2,183 19,188 3,192 1,193 4,196 15,200 4,205 5,208 7,213 4,216 1,218 6,221 6,225 5,230 5,233 6,238 5,243 5,246 9,255 2,258 10,263 1,264 1,267 1,269 1,272 10,276 1068,277 17.731,278 17.731,279 17.731,280 17.731,281 17.731,282 15.452,283 10.237,284 10.656,285 17.995,286 13.759,287 13.759,288 13.759,289 13.759,290 13.759,291 10.44,292 9.091,293 5.012,294 14.225,295 3.932,296 2.102,297 1.272,298 0.711,299 0.622,300 0.622,301 3.987,302 1,304 1,305 1,306 1,307 676,308 3.391,312 297.344,319 1.976,320 24.365,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 55.333,332 317,333 4.285,334 3.574,335 6.169,336 3.922,337 2.922,338 3.926,339 1.058,340 9.123,341 2.92,342 4.063,343 2.981,344 6.016,345 3.75,346 2.761,347 3.621,349 8.608,350 2.732,351 4.008,352 2.845,353 5.569,354 3.613,355 2.627,356 3.51,358 7.602,359 2.589,360 3.545,361 2.732,362 5.145,363 3.258,364 2.323,365 2.816,367 6.358,368 2.157,369 3.386,370 2.247,371 4.811,372 2.908,373 1.967,374 2.726,376 5.449,377 1.846,378 3.163,379 2.112,380 4.514,381 2.807,382 1.848,383 2.29,385 4.66,386 1.687,387 2.829,388 1.714,389 4.004,390 2.356,391 1.372,392 1.898,394 3.3,395 1.338,396 2.52,397 1.131,398 3.485,399 2.002,400 1.024,401 1.5,403 2.561,404 1,405 2.5,406 1.11,407 3.414,408 2,409 1,410 1.5,412 2.275,413 1,414 2.5,415 1,416 3.414,417 2,418 1,419 1.5,421 2.275,422 0.996,423 2.5,424 1,425 3.247,426 1.984,427 1,428 1.481,430 2.136,431 0.983,432 1.519,433 1,434 2.879,435 1.325,436 0.434,437 0.457,439 0.7,440 0.374,441 1.284,442 0.724,443 2.696,444 0.978,445 0.063,446 0.073,448 0.131,449 0.052,450 1.044,451 0.232,452 2.324,453 0.628,454 -0.35,455 -0.438,457 -0.817,458 -0.313,459 0.788,460 -0.218,461 2,462 0.419,463 -0.519,464 -0.663,466 -1.247,467 -0.451,468 12.681,469 0.488,470 0.52,471 0.02,472 35.25,473 1.356,474 19.5,475 0.75,476 15.75,477 0.606,478 18.726,479 0.72,480 26.919,481 0.598,482 25.442,483 0.979,484 7.204,485 0.277,486 5.448,487 0.21,488 0.109,490 0.276,496 0.75,497 1.067,498 0.643,499 0.859,500 0.721,501 0.839,502 0.76,503 1.099,504 0.786,505 0.961,506 0.728,507 0.992,508 0.868,509 1.018,510 0.986,511 1.026,512 0.821,513 1.042,514 1.133,515 1.069,516 0.962,517 1.057,518 1.251,519 1.063,520 1.036,521 1.015,522 0.739,523 0.927,524 1.232,525 0.966,526 1.071,527 1.063,528 0.947,529 1.065,530 1.05,531 1.038,532 1.316,533 0.938,534 0.874,535 0.925,536 1.432,537 0.893,538 1.542,539 0.912,540 1.296,541 1.024,542 1.714,543 0.974,544 5,545 0.12,546 2.667,547 1.313,548 0.996,549 0.688,550 0.607,551 0.345,552 0.185,553 0.144,554 8690,555 26454,556 2.059,557 42.2,559 13,561 2,562 2,564 2,567 1.686,568 1.95,569 3.579,570 0.213,572 1,577 70.184,578 1.56,579 3.39,580 4.22,581 4.781,582 4.87,583 4.87,584 3.094,585 4.085,586 4.67,587 3.726,588 1211.01,589 8.071,590 15746.5,592 1,594 1,595 247.133,596 1.3,597 4.642,598 0.179,599 0.007,600 0.072,601 0.035,602 0.031,603 0.022,604 0.022,605 0.013,606 0.008,607 0.007,608 0.397,609 0.17,610 1,611 0.721,612 129.753,613 -0.074,614 0.013,615 0.001,616 0.056,617 -0.091,618 0.047,619 -0.014,620 -0.038,621 -0.056,622 -0.036,623 -0.036,624 -0.084,625 -0.031,626 -0.009,627 -0.087,628 -0.066,629 -0.021,630 -0.08,631 -0.113,632 -0.107,633 -0.089,634 -0.092,635 -0.123,636 -0.087,637 0.028,638 -0.039,639 0.024,640 0.016,641 0.039,643 -0.065,644 -0.101,645 -0.039,646 -0.096,647 -0.019,648 -0.053,649 -0.043,650 0.002,651 0.094,652 0.053,653 -0.032,654 0.091,655 -0.093,656 0.03,657 -0.098,658 -0.021,659 -0.117,660 -0.012,661 1.876,662 5.453,663 0.692,664 26.698,665 1.003,666 1.113,667 3.001,668 9.006,669 0.703,670 3.367,671 3.638,672 3.85,673 4.025,674 4.234,675 4.174,676 4.263,677 4.263,678 4.29,679 4.29,680 7.025,681 0.668,682 366.87,683 3.367,684 4.875,685 5.694,686 6.535,687 7.368,688 8.213,689 9.051,690 9.896,691 10.737,692 11.583,693 4.4,700 1,703 1,709 12,710 1,714 5,716 18,723 1,734 1,735 45,737 19,738 2,739 28,741 47,742 21,743 17,744 4,745 8,746 1,748 3,749 3,750 1,754 1,760 2,762 18,763 3,767 1,772 1,776 1,779 1,780 1,783 19,784 4,785 2,786 5,787 1,792 2,797 1,798 2,799 1,809 1,816 3,841 1,843 3,848 1,851 26,857 1,858 2,860 1,863 1,873 1,874 4.4,875 1,877 1,881 13.333,882 7.793,883 5.889,884 2.54,886 2.968,887 1.428,888 0.956,889 6.133,890 9.897,891 3.664,892 4.212,893 4.738,894 5.241,895 5.772,896 5.827,897 6.194,898 6.405,899 6.672,900 6.909,901 1,902 37,903 9.589,905 4.017,906 7.844,907 18.121,909 14.586,911 2.344,912 60.944,915 1,916 200.109,917 136.339,918 34.796,919 39.149,920 67.828,923 136.339,924 307.086,925 34.796,927 20.545,928 137.446,929 70.177,930 34.338,932 176.567,933 39.149,934 200.109,935 171.136,936 67.828,937 39.149,939 176.567,940 48.687,941 42.683,943 38.64,944 115.71,945 55.934,947 200.109,948 102.625,949 175.488,952 200.109,953 23.482,954 112.857,955 18.011,956 123.762,957 200.109,958 102.625,959 175.488,961 0.568,962 0.328,963 0.168,964 0.095,965 16,966 7,967 0.128,968 6,970 1,971 3.908,972 203.355,974 18,975 110.211,981 18.277,982 8.725,983 4.999,985 102.625,986 22.04,987 4.003,991 4.276,993 60.694,994 478.221,995 38,1000 12.453,1004 -0.209,1007 45.134,1008 50.096,1009 0.284,1010 0.617,1011 0.768,1012 0.871,1013 0.887,1014 0.887,1015 4.856,1016 1.024,1017 5.645,1018 3.3,1019 4.317,1020 4.898,1021 1.176,1022 6.375,1023 4.263,1024 6.035,1025 1,1026 7.155,1027 2.561,1028 3.761,1029 4.46,1031 7.111,1032 3.671,1033 7.307,1034 1,1035 8.761,1036 2.275,1037 5.838,1038 7.005,1039 1.255,1040 10.142,1041 5.754,1042 8.612,1043 1,1044 10.422,1045 2.275,1046 6.089,1047 7.354,1049 11.688,1050 5.993,1051 9.945,1052 0.434,1053 12.119,1054 2.136,1055 7.607,1056 9.361,1057 1.338,1058 14.204,1059 7.512,1060 11.298,1061 0.063,1062 13.841,1063 0.7,1064 8.241,1065 10.104,1067 16.093,1068 8.148,1069 12.667,1070 -0.35,1071 15.58,1072 0.131,1073 9.509,1074 11.844,1075 1.422,1076 18.413,1077 9.413,1078 2.922,1079 -0.519,1080 17.331,1081 -0.817,1082 10.34,1083 12.812,1085 20.459,1086 10.249,1087 2.761,1088 9.123,1089 19.093,1090 -1.247,1091 11.489,1092 14.398,1093 1.51,1094 22.7,1095 11.394,1096 2.627,1097 8.608,1098 20.861,1099 3.926,1100 12.422,1101 15.505,1103 24.82,1104 12.333,1105 2.323,1106 7.602,1107 22.636,1108 3.621,1109 13.514,1110 16.997,1111 1.599,1112 27.029,1113 13.423,1114 1.967,1115 6.358,1116 24.416,1117 3.51,1118 14.502,1119 18.192,1121 29.184,1122 14.414,1123 1.848,1124 5.449,1125 26.2,1126 2.816,1127 15.568,1128 19.628,1129 1.69,1130 31.381,1131 15.479,1132 1.372,1133 4.66,1134 27.988,1135 2.726,1136 16.585,1137 20.879,1139 33.555,1140 16.499,1141 8390,1142 14732,1143 18.781,1144 31.631,1145 41.067,1146 42.505,1147 42.013,1148 40.734,1149 40.682,1150 54.596,1151 2.117,1152 110.354,1153 39.345,1154 5.183,1155 5.574,1156 5.971,1157 4.957,1158 4.922,1159 6.926,1160 2.117,1161 15.407,1162 4.92,1163 11.442,1164 1.467,1165 1.518,1166 1.5,1167 1.455,1168 1.453,1169 1.95,1170 0.076,1171 3.941,1172 1.405,1173 4.013,1174 4.04,1175 4.008,1176 3.95,1177 7.429,1178 3.948,1179 3.923,1180 3.951,1181 3.943,1182 3.872,1183 6.456,1184 3.863,1185 3.756,1186 3.794,1187 3.706,1188 3.643,1189 4.946,1190 3.65,1191 3.591,1192 3.641,1193 3.553,1194 3.431,1195 4.92,1196 3.433,1197 3.198,1198 3.221,1199 3.285,1200 3.002,1201 4.647,1202 3.026,1203 3.032,1204 3.08,1205 3.094,1206 2.856,1207 4.347,1208 2.848,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 4.024,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.781,1220 2.715,1221 0.153,1222 0.128,1223 0.22,1224 0.14,1225 0.104,1226 4.285,1227 0.14,1228 3.574,1229 0.038,1230 6.169,1231 0.326,1232 3.922,1233 0.104,1234 2.922,1235 3.926,1236 1.058,1237 9.123,1238 2.92,1239 1.978,1240 1.956,1241 2.069,1242 2.06,1243 1.273,1244 2.065,1245 1.919,1246 1.894,1247 2.03,1248 2.001,1249 1.166,1250 2.016,1251 1.723,1252 1.688,1253 1.843,1254 1.863,1255 0.96,1256 1.859,1257 1.555,1258 1.504,1259 1.751,1260 1.744,1261 0.857,1262 1.752,1263 1.092,1264 1.068,1265 1.287,1266 1.359,1267 0.464,1268 1.318,1269 0.984,1270 0.933,1271 1.224,1272 1.234,1273 0.242,1274 1.255,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.043,1289 5.323,1291 6.799,1293 8.353,1295 9.945,1298 5.881,1302 9.584,1303 0.401,1305 2.873,1308 -0.358,1314 30.041,1315 70.184,1316 152.53,1317 189.914,1318 215.133,1319 219.133,1320 219.133,1321 49.069,1322 6.929,1323 62.22,1324 62.22,1325 18,1326 12.145,1327 4.322,1328 3.459,1329 44.574,1330 109,1331 106,1332 0.196,1333 190.669,1334 330.47,1335 456.993,1336 9346,1337 2.2,1338 18.355,1339 0.706,1340 0.571,1341 18.855,1342 14.856,1343 12.652,1344 0.452,1345 0.311,1346 8.28,1347 12.053,1348 8.065,1349 6.685,1350 12.941,1351 8.699,1352 10.922,1353 0.295,1354 0.174,1355 11.33,1356 6.433,1357 9.022,1358 0.196,1359 0.095,1360 9.311,1361 4.364,1362 6.975,1363 0.127,1364 0.051,1365 7.142,1366 2.819,1367 5.732,1368 0.084,1369 0.029,1370 5.968,1371 1.963,1372 0.314,1373 81.281,1374 0.231,1375 25.662,1376 0.515,1377 130,1378 376.067,1379 152.615,1380 399.342,1381 526.85,1382 372,1383 148,1384 348.099,1385 164.467,1386 367.619,1387 528.62,1388 346,1389 5.1}
{0 CHEMBL1996979,1 1.662,2 10.192,3 3.746,4 14.036,5 93.764,6 8.958,7 0.759,8 3.801,9 3.901,10 3.515,11 3.418,12 5.089,13 3.429,14 4.262,15 4.379,16 3.891,17 3.793,18 5.594,19 3.794,20 4.513,21 4.679,22 3.964,23 3.855,24 5.842,25 3.854,26 4.517,27 4.692,28 3.965,29 3.758,30 6.222,31 3.763,32 4.421,33 4.609,34 3.708,35 3.68,36 5.733,37 3.657,38 4.323,39 4.519,40 3.669,41 3.619,42 5.586,43 3.599,44 4.292,45 4.494,46 3.613,47 3.514,48 5.698,49 3.499,50 4.11,51 4.312,52 3.43,53 3.372,54 5.382,55 3.353,56 0.106,57 0.694,58 4.914,59 3.179,60 11.002,61 3.264,62 0.22,63 1.105,64 8.507,65 5.267,66 20.649,67 5.587,68 0.389,69 1.407,70 14.955,71 7.183,72 56.258,73 7.704,74 0.897,75 1.523,76 16.64,77 6.902,78 138.142,79 7.415,80 0.523,81 1.164,82 15.649,83 6.429,84 77.273,85 6.762,86 0.317,87 1.079,88 13.525,89 5.712,90 35.107,91 6.56,92 0.523,93 1.139,94 14.26,95 5.611,96 63.989,97 6.182,98 0.288,99 0.86,100 11.886,101 4.904,102 41.633,103 5.615,104 10,105 41,106 0.289,107 0.574,108 0.72,109 0.82,110 0.847,111 0.847,112 3.305,113 0.818,114 -5.29,115 -5.17,116 -4.84,119 51.3,142 9,143 4,144 3,145 1,151 1,158 1,161 1,172 11,175 2,178 2,180 4,183 13,188 2,191 1,193 3,196 9,200 4,205 5,208 6,212 1,213 5,217 1,218 4,221 4,225 3,230 3,233 4,238 4,241 1,243 3,246 4,250 3,255 1,258 5,264 2,269 2,272 5,276 946,277 17.706,278 17.706,279 17.706,280 17.706,281 17.706,282 14.94,283 10.775,284 10.405,285 17.952,286 14.31,287 14.31,288 14.31,289 14.31,290 14.31,291 10.222,292 13.651,293 4.919,294 14.746,295 3.623,296 1.983,297 1.142,298 0.564,299 0.41,300 0.41,301 4.002,304 1,305 1,306 1,307 580,308 2.828,311 57.713,312 227.847,315 101.964,319 1.515,320 37.28,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 57.5,332 265,333 4.611,334 3.677,335 6.72,336 4.157,337 3.175,338 4.555,339 1.058,340 10.947,341 3.12,342 4.444,343 3.174,344 6.677,345 4.06,346 3.084,347 4.101,349 10.596,350 3,351 3.959,352 3.018,353 5.77,354 3.538,355 2.561,356 3.538,358 7.882,359 2.499,360 3.678,361 2.592,362 5.354,363 3.257,364 2.294,365 3.091,367 6.871,368 2.202,369 3.31,370 2.561,371 4.841,372 2.852,373 1.879,374 2.59,376 5.104,377 1.84,378 3.232,379 2.262,380 4.755,381 2.787,382 1.85,383 2.52,385 4.95,386 1.682,387 3.212,388 1.742,389 4.633,390 2.706,391 1.734,392 2.481,394 4.645,395 1.678,396 2.818,397 1.356,398 4.04,399 2.312,400 1.338,401 1.968,403 3.352,404 1.3,405 2.667,406 1.341,407 3.721,408 2.17,409 1.181,410 1.706,412 2.731,413 1.159,414 2.556,415 1.1,416 3.5,417 2.028,418 1.058,419 1.572,421 2.559,422 1.023,423 2.5,424 1,425 3.247,426 2,427 1,428 1.5,430 2.136,431 1,432 2.058,433 0.879,434 3.217,435 1.524,436 0.585,437 0.85,439 1.45,440 0.548,441 1.232,442 0.668,443 2.867,444 0.908,450 1.161,451 0.33,452 2.369,453 0.681,454 -0.301,455 -0.408,457 -0.727,458 -0.285,459 1,460 0.159,461 2.352,462 0.557,463 -0.347,464 -0.445,466 -0.757,467 -0.303,468 12.105,469 0.466,470 0.627,471 0.024,472 38.75,473 1.49,474 22,475 0.846,476 16.75,477 0.644,478 16.166,479 0.622,480 26.295,481 0.674,482 29.3,483 1.127,484 8.025,485 0.309,486 4.606,487 0.177,488 0.075,490 0.372,494 2,496 0.591,497 0.874,498 0.612,499 0.832,500 0.524,501 0.753,502 0.605,503 0.967,504 0.74,505 1.017,506 0.589,507 0.959,508 0.971,509 1.115,510 0.911,511 1.08,512 0.966,513 1.008,514 0.785,515 0.922,516 0.913,517 1.001,518 0.759,519 0.998,520 1.1,521 0.869,522 1.15,523 0.931,524 1.14,525 1.017,526 0.792,527 0.937,528 0.913,529 0.976,530 0.662,531 0.97,532 1.063,533 0.93,534 1.073,535 0.94,536 1.093,537 0.982,538 0.921,539 0.924,540 0.882,541 0.926,542 0.922,543 0.897,544 4.5,545 0.092,546 3.111,547 2.382,548 1.223,549 0.782,550 0.39,551 0.339,552 0.311,553 0.218,554 8090,555 26143,556 2.124,557 33.3,559 9,560 1,561 1,562 2,567 1.691,568 2,569 3.317,570 0.251,572 1,574 1,577 64.832,578 1.662,579 3.302,580 4.144,581 4.721,582 4.875,583 4.875,584 2.705,585 4.239,586 4.676,587 3.472,588 1128.46,589 8.102,590 13943.1,591 1,592 1,593 1,594 1,595 206.131,596 1.37,597 4.637,598 0.155,599 0.005,600 0.076,601 0.057,602 0.031,603 0.024,604 0.013,605 0.012,606 0.013,607 0.009,608 0.396,609 0.5,610 1,611 0.54,612 126.582,613 -0.055,614 -0.015,615 0.01,616 0.046,617 -0.054,618 0.056,619 0.027,620 -0.085,621 -0.043,622 -0.12,623 -0.003,624 -0.117,625 -0.075,626 -0.162,627 -0.006,628 -0.129,629 -0.079,630 -0.071,631 0.361,632 0.129,633 0.078,634 -0.043,635 0.402,636 -0.07,637 -0.143,638 0.013,639 -0.172,640 0.018,641 -0.16,642 -0.057,643 -0.07,644 -0.123,645 0.033,646 -0.044,647 0.005,648 0.014,649 0.013,650 0.11,651 -0.043,652 0.028,653 -0.047,654 -0.009,655 -0.071,656 -0.096,657 0.133,658 0.05,659 -0.055,660 0.132,661 2.58,662 5.771,663 0.808,664 20.799,665 1.025,666 1.125,667 4.058,668 16.465,669 0.716,670 3.401,671 3.738,672 4.043,673 4.331,674 4.489,675 4.554,676 4.673,677 4.828,678 4.89,679 4.99,680 6.093,681 0.71,682 349.36,683 3.401,684 4.949,685 5.814,686 6.703,687 7.581,688 8.476,689 9.359,690 10.257,691 11.143,692 12.042,693 7.7,700 1,701 1,703 1,708 2,709 11,710 1,711 1,714 6,716 22,723 1,734 2,735 39,737 23,738 2,739 29,741 42,742 20,743 19,744 4,745 8,746 1,748 4,749 5,762 20,767 1,772 1,776 1,780 1,781 2,783 13,784 5,785 2,786 6,792 3,797 0.75,798 1,809 1,811 1,815 1,816 3,819 1,843 3,849 2,851 26,860 1,873 2,874 2.6,877 1,881 13,882 7.069,883 5.667,884 2.209,886 4.086,887 1.541,888 1.057,889 4.136,890 11.633,891 3.738,892 4.398,893 5.044,894 5.683,895 6.194,896 6.505,897 6.951,898 7.412,899 7.684,900 8.085,901 0.857,902 42,903 9.684,905 4.351,906 8.115,907 17.677,909 14.595,911 2.615,912 68,916 129.482,917 142.929,918 51.582,920 25.145,921 29.92,923 142.929,924 154.627,925 81.502,927 18.011,928 94.334,929 60.122,930 58.961,931 41.691,932 105.94,934 129.482,935 194.511,936 55.065,939 159.402,940 25.145,943 45.559,944 132.167,945 16.786,947 159.402,948 76.727,949 142.929,952 129.482,953 39.548,954 103.381,955 34.796,956 71.851,957 129.482,958 106.647,959 142.929,961 0.584,962 0.351,963 0.198,964 0.097,965 21,966 9,967 0.071,968 3,969 1,970 1.095,971 3.794,972 224.706,973 0.095,974 21,975 112.211,981 16.283,982 6.604,983 3.074,984 1.446,985 89.861,986 17.967,987 4.261,988 3.073,991 -0.191,993 34.796,994 379.059,995 41,1000 12.258,1004 -0.862,1007 39.96,1008 43.875,1009 0.315,1010 0.625,1011 0.784,1012 0.893,1013 0.922,1014 0.922,1015 4.959,1016 1.338,1017 5.802,1018 4.645,1019 4.419,1020 5.085,1021 1.176,1022 6.637,1023 4.36,1024 6.191,1025 1.181,1026 7.375,1027 3.352,1028 4.007,1029 4.902,1031 7.594,1032 3.915,1033 7.511,1034 1.058,1035 9.051,1036 2.731,1037 6.028,1038 7.362,1039 1.255,1040 10.728,1041 5.923,1042 8.87,1043 1,1044 10.79,1045 2.559,1046 6.463,1047 8.038,1049 12.545,1050 6.331,1051 10.263,1052 0.585,1053 12.57,1054 2.136,1055 7.946,1056 9.945,1057 1.338,1058 15.187,1059 7.801,1060 11.681,1062 14.379,1063 1.45,1064 8.77,1065 11.039,1067 17.342,1068 8.602,1069 13.119,1070 -0.301,1071 16.209,1073 10.041,1074 12.711,1075 1.422,1076 19.816,1077 9.858,1078 3.175,1079 -0.347,1080 18.054,1081 -0.727,1082 11.043,1083 14.012,1085 22.105,1086 10.837,1087 3.084,1088 10.947,1089 19.911,1090 -0.757,1091 12.23,1092 15.581,1093 1.51,1094 24.519,1095 12.007,1096 2.561,1097 10.596,1098 21.777,1099 4.555,1100 13.31,1101 16.983,1103 26.862,1104 13.065,1105 2.294,1106 7.882,1107 23.65,1108 4.101,1109 14.466,1110 18.508,1111 1.599,1112 29.254,1113 14.203,1114 1.879,1115 6.871,1116 25.529,1117 3.538,1118 15.58,1119 19.96,1121 31.619,1122 15.297,1123 1.85,1124 5.104,1125 27.412,1126 3.091,1127 16.725,1128 21.469,1129 1.69,1130 34.003,1131 16.423,1132 1.734,1133 4.95,1134 29.299,1135 2.59,1136 17.855,1137 22.946,1139 36.378,1140 17.533,1141 7640,1142 13898,1143 19.592,1144 27.915,1145 44.161,1146 45.396,1147 45.162,1148 43.61,1149 43.483,1150 60.945,1151 2.117,1152 126.447,1153 42.098,1154 5.445,1155 5.677,1156 6.522,1157 5.212,1158 5.175,1159 7.555,1160 2.117,1161 18.076,1162 5.12,1163 11.045,1164 1.523,1165 1.565,1166 1.557,1167 1.504,1168 1.499,1169 2.102,1170 0.073,1171 4.36,1172 1.452,1173 4.138,1174 4.174,1175 4.106,1176 4.043,1177 8.211,1178 4.053,1179 3.934,1180 3.954,1181 3.909,1182 3.843,1183 8.191,1184 3.853,1185 3.822,1186 3.857,1187 3.753,1188 3.745,1189 7.428,1190 3.743,1191 3.478,1192 3.534,1193 3.413,1194 3.299,1195 5.066,1196 3.318,1197 3.169,1198 3.199,1199 3.104,1200 2.989,1201 4.725,1202 3.012,1203 2.937,1204 2.985,1205 2.913,1206 2.747,1207 4.504,1208 2.759,1209 2.915,1210 2.98,1211 2.83,1212 2.735,1213 4.349,1214 2.753,1215 2.854,1216 2.925,1217 2.687,1218 2.73,1219 3.967,1220 2.715,1221 0.159,1222 0.127,1223 0.232,1224 0.143,1225 0.109,1226 4.611,1227 0.157,1228 3.677,1229 0.036,1230 6.72,1231 0.377,1232 4.157,1233 0.108,1234 3.175,1235 4.555,1236 1.058,1237 10.947,1238 3.12,1239 1.959,1240 1.937,1241 2.047,1242 2.051,1243 1.167,1244 2.042,1245 1.887,1246 1.867,1247 1.965,1248 1.987,1249 1.046,1250 1.986,1251 1.803,1252 1.768,1253 1.893,1254 1.938,1255 0.968,1256 1.928,1257 1.421,1258 1.361,1259 1.577,1260 1.644,1261 0.6,1262 1.63,1263 1.228,1264 1.193,1265 1.34,1266 1.457,1267 0.378,1268 1.425,1269 0.948,1270 0.91,1271 1.181,1272 1.118,1273 0.218,1274 1.121,1275 0.886,1276 0.821,1277 1.118,1278 1.074,1279 0.186,1280 1.107,1281 0.832,1282 0.787,1283 1.035,1284 1.062,1285 0.072,1286 1.047,1287 4.078,1289 5.407,1290 2.398,1291 6.938,1292 4.727,1293 8.561,1294 6.843,1295 10.229,1299 27.542,1305 2.505,1314 27.706,1315 64.832,1316 128.793,1317 161.601,1318 184.131,1319 190.131,1320 190.131,1321 53.168,1322 7.546,1323 57.78,1324 57.78,1325 23,1326 12.567,1327 4.585,1328 3.7,1329 38.031,1330 96,1331 87,1332 0.195,1333 167.618,1334 286.41,1335 400.748,1336 19801,1337 5.1,1338 18.096,1339 0.696,1340 0.518,1341 16.355,1342 13.462,1343 12.631,1344 0.436,1345 0.273,1346 7.797,1347 12.147,1348 7.686,1349 6.345,1350 11.81,1351 7.912,1352 11.418,1353 0.278,1354 0.14,1355 10.353,1356 5.739,1357 9.828,1358 0.176,1359 0.073,1360 8.992,1361 4.064,1362 8.736,1363 0.116,1364 0.038,1365 7.646,1366 2.837,1367 6.369,1368 0.072,1369 0.02,1370 6.167,1371 1.8,1372 0.304,1373 79.412,1374 0.226,1375 24.948,1376 0.542,1377 140,1378 530.269,1379 155.427,1380 466.965,1381 623.42,1382 434,1383 167,1384 449.993,1385 182,1386 446.25,1387 655.81,1388 421,1389 5.2}
{0 CHEMBL1996980,1 1.65,2 13.069,3 2.441,4 5.957,5 114.443,6 7.811,7 0.5,8 4.078,9 4.217,10 3.681,11 3.584,12 5.146,13 3.569,14 4.633,15 4.824,16 4.061,17 3.993,18 5.689,19 3.945,20 4.916,21 5.159,22 4.065,23 4.12,24 5.868,25 4.032,26 4.927,27 5.185,28 4.071,29 4.079,30 5.89,31 3.989,32 4.869,33 5.113,34 4.003,35 4.024,36 5.892,37 3.937,38 4.798,39 5.035,40 4.049,41 4,42 5.804,43 3.906,44 4.752,45 4.99,46 3.907,47 3.967,48 5.733,49 3.827,50 4.685,51 4.946,52 3.663,53 3.85,54 5.547,55 3.697,56 0.064,57 0.849,58 10.655,59 4.2,60 7.834,61 5.939,62 0.337,63 1.328,64 21.526,65 7.425,66 30.876,67 10.735,68 0.456,69 1.545,70 32.544,71 9.851,72 49.96,73 14.592,74 0.488,75 1.493,76 34.086,77 9.746,78 49.88,79 14.744,80 0.531,81 1.391,82 32.609,83 9.066,84 63.41,85 13.11,86 0.498,87 1.292,88 32.432,89 8.642,90 52.903,91 12.478,92 0.528,93 1.186,94 34.516,95 9.484,96 50.814,97 13.334,98 0.353,99 1.092,100 31.314,101 9.009,102 38.642,103 12.949,104 14,105 44,106 0.274,107 0.639,108 0.796,109 0.823,110 0.842,111 0.867,112 3.408,113 0.954,114 -3.39,115 -3.37,116 -3.23,119 37.7,121 4,124 1,125 1,127 2,142 3,143 2,145 1,146 1,147 1,150 1,151 1,158 1,161 1,172 5,174 1,175 6,178 4,180 6,183 6,188 3,191 1,192 1,193 5,196 4,200 9,203 1,205 5,208 2,212 1,213 9,217 1,218 3,221 2,225 1,228 1,229 1,230 4,233 7,237 1,238 2,241 4,243 1,246 9,254 1,255 2,258 4,263 2,264 2,269 5,272 4,276 1431,277 19.834,278 19.834,279 19.834,280 19.834,281 19.834,282 17.836,283 20.432,284 11.916,285 20.395,286 15.824,287 15.824,288 15.824,289 15.824,290 15.824,291 12.752,292 31.167,293 5.652,294 16.748,295 4.078,296 1.882,297 0.934,298 0.769,299 0.656,300 0.505,301 4.107,303 1,305 1,306 1,307 824,308 3.317,311 64.22,312 275.622,315 121.303,319 2.007,320 27.532,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 62.833,332 379,333 4.6,334 3.599,335 6.714,336 4.141,337 3.167,338 4.535,339 1.956,340 10.928,341 3.088,342 4.152,343 3.205,344 5.872,345 3.728,346 2.787,347 3.816,348 0.465,349 8.381,350 2.65,351 3.788,352 2.976,353 5.597,354 3.603,355 2.653,356 2.962,357 0.4,358 7.64,359 2.488,360 3.618,361 2.756,362 5.43,363 3.369,364 2.396,365 2.905,366 0.132,367 7.131,368 2.327,369 3.48,370 2.451,371 5.145,372 3.103,373 2.154,374 2.657,376 6.294,377 2.047,378 3.265,379 2.311,380 4.798,381 2.942,382 2.017,383 2.406,385 5.429,386 1.845,387 3.046,388 1.979,389 4.66,390 2.679,391 1.777,392 2.319,394 5.028,395 1.53,396 2.972,397 1.646,398 4.501,399 2.513,400 1.547,401 2.125,403 4.23,404 1.489,405 2.894,406 1.547,407 4.004,408 2.374,409 1.434,410 1.96,412 3.444,413 1.322,414 2.524,415 1.457,416 3.564,417 2,418 1.031,419 1.535,421 2.559,422 1,423 2.117,424 1.037,425 3.414,426 1.989,427 1.022,428 1.071,430 2.275,431 0.982,432 2,433 1,434 3.156,435 1.953,436 1,437 1,439 1.716,440 0.945,441 1.973,442 0.697,443 3.094,444 1.428,445 0.489,446 0.721,448 1.179,449 0.458,450 1.372,451 0.495,452 2.931,453 1.192,454 0.241,455 0.259,457 0.589,458 0.228,459 1,460 0.34,461 2.557,462 0.701,463 -0.241,464 -0.267,466 -0.592,467 -0.219,468 13.848,469 0.478,470 0.639,471 0.022,472 36,473 1.241,474 16,475 0.552,476 20,477 0.69,478 25.861,479 0.892,480 31.752,481 0.599,482 25.527,483 0.88,484 6.816,485 0.235,486 7.303,487 0.252,488 0.112,490 0.325,496 0.845,497 1.492,498 0.673,499 1.04,500 0.607,501 0.939,502 0.666,503 1.141,504 0.738,505 1.017,506 0.525,507 0.992,508 0.979,509 1.07,510 0.848,511 0.932,512 0.957,513 0.948,514 0.91,515 1.01,516 0.754,517 0.898,518 0.9,519 0.89,520 1.4,521 0.951,522 0.981,523 0.851,524 1.674,525 0.912,526 1.282,527 0.98,528 1.161,529 0.929,530 1.298,531 0.957,532 0.99,533 0.87,534 1.511,535 1.173,536 0.852,537 1.153,538 0.948,539 0.975,540 1.295,541 1.139,542 0.838,543 1.097,544 6,545 0.129,546 2.444,547 2.007,548 1.303,549 0.625,550 0.777,551 0.311,552 0.288,553 0.121,554 11671,555 32061,556 2.111,557 45.3,559 10,560 1,561 1,562 4,564 8,567 1.716,568 2,569 3.639,570 1.697,571 1,572 1,577 87.451,578 1.65,579 3.846,580 4.794,581 4.959,582 5.072,583 5.223,584 3.112,585 4.418,586 4.825,587 3.804,588 1544.44,589 8.388,590 21448.3,592 1,594 1,595 303.58,596 1.314,597 4.8,598 0.188,599 0.006,600 0.056,601 0.047,602 0.032,603 0.016,604 0.021,605 0.01,606 0.011,607 0.005,608 0.391,609 0.17,610 1,611 1.176,612 149.357,613 -0.103,614 -0.207,615 0.021,616 -0.024,617 -0.027,618 0.021,619 0.157,620 0.027,621 0.037,622 -0.04,623 0.141,624 -0.035,625 -0.054,626 -0.058,627 0.01,628 0.03,629 -0.032,630 0.023,631 0.023,632 -0.036,633 0.122,634 0.053,635 0.029,636 0.085,637 -0.202,638 0.029,639 -0.027,640 0.096,641 -0.226,642 0.035,643 -0.135,644 0.017,645 -0.016,646 0.06,647 -0.162,648 0.008,649 0.034,650 0.09,651 -0.167,652 -0.105,653 -0.014,654 -0.135,655 -0.067,656 -0.07,657 -0.11,658 -0.086,659 -0.07,660 -0.06,661 1.625,662 4.734,663 0.724,664 31.553,665 1.006,666 1.139,667 2.163,668 4.677,669 0.664,670 3.497,671 3.807,672 4.06,673 4.357,674 4.554,675 4.635,676 4.779,677 4.92,678 4.956,679 5.043,680 7.391,681 0.631,682 413.96,683 3.497,684 5.03,685 5.872,686 6.749,687 7.608,688 8.492,689 9.361,690 10.249,691 11.123,692 12.013,693 13.2,695 1,698 1,700 1,701 1,703 3,708 2,709 5,710 3,711 1,714 4,716 16,728 1,734 1,735 53,737 17,739 32,741 56,742 20,743 11,748 4,749 5,750 1,757 6,760 6,762 12,763 8,767 1,772 1,776 1,780 1,783 24,784 7,785 4,786 9,787 1,792 7,797 0.75,798 1,809 1,810 1,811 1,815 1,816 3,819 1,829 1,838 1,843 3,847 1,848 1,851 29,858 5,860 3,863 2,873 1,874 1.9,877 1,881 14.5,882 9.493,883 6.417,884 3.241,886 3.265,887 1.419,888 0.99,889 6.285,890 11.051,891 3.738,892 4.314,893 4.882,894 5.507,895 6.016,896 6.367,897 6.813,898 7.266,899 7.474,900 7.849,901 0.889,902 43,903 10.714,905 4.551,906 7.705,907 20.612,909 17.08,911 2.205,912 63.944,915 1,916 235.422,917 87.07,918 121.174,919 39.149,920 25.145,923 87.07,924 299.716,925 121.174,926 8.396,927 30.255,928 55.487,929 111.703,930 34.348,931 55.891,932 211.88,934 235.422,935 208.244,936 25.145,937 39.149,939 141.253,940 119.314,943 80.469,944 59.408,945 68.367,946 39.149,947 235.422,948 146.319,949 126.219,952 235.422,953 32.15,954 54.92,955 70.818,956 114.65,957 235.422,958 146.319,959 126.219,961 0.572,962 0.326,963 0.186,964 0.098,965 21,966 9,967 0.107,968 6,969 1,970 1.095,971 4.153,972 250.831,973 0.095,974 21,975 136.881,981 20.081,982 9.077,983 4.863,984 1.802,985 129.534,986 9.298,987 13.352,988 3.162,991 2.605,993 70.818,994 507.96,995 41,1000 11.734,1004 0.042,1007 53.316,1008 60.378,1009 0.288,1010 0.672,1011 0.837,1012 0.866,1013 0.886,1014 0.912,1015 4.97,1016 1.547,1017 5.844,1018 5.028,1019 4.489,1020 5.001,1021 2.108,1022 6.629,1023 4.386,1024 6.155,1025 1.434,1026 7.378,1027 4.23,1028 4.007,1029 4.783,1030 1.593,1031 7.445,1032 3.852,1033 7.449,1034 1.031,1035 9.01,1036 3.444,1037 6.052,1038 7.182,1039 3.032,1040 10.553,1041 5.869,1042 8.777,1043 1.022,1044 10.699,1045 2.559,1046 6.382,1047 7.838,1048 3.114,1049 12.234,1050 6.167,1051 10.14,1052 1,1053 12.427,1054 2.275,1055 7.887,1056 9.718,1057 4.207,1058 14.855,1059 7.642,1060 11.529,1061 0.489,1062 14.184,1063 1.716,1064 8.616,1065 10.812,1066 4.559,1067 16.93,1068 8.348,1069 12.938,1070 0.241,1071 15.963,1072 1.179,1073 9.891,1074 12.472,1075 5.466,1076 19.388,1077 9.594,1078 3.167,1079 -0.241,1080 17.761,1081 0.589,1082 10.822,1083 13.783,1084 5.96,1085 21.639,1086 10.505,1087 2.787,1088 10.928,1089 19.574,1090 -0.592,1091 12.001,1092 15.349,1093 6.763,1094 24.045,1095 11.658,1096 2.653,1097 8.381,1098 21.401,1099 4.535,1100 13.033,1101 16.762,1102 7.334,1103 26.373,1104 12.672,1105 2.396,1106 7.64,1107 23.239,1108 3.816,1109 14.176,1110 18.289,1111 8.08,1112 28.764,1113 13.791,1114 2.154,1115 7.131,1116 25.086,1117 2.962,1118 15.259,1119 19.751,1120 8.694,1121 31.127,1122 14.855,1123 2.017,1124 6.294,1125 26.942,1126 2.905,1127 16.392,1128 21.263,1129 9.407,1130 33.515,1131 15.966,1132 1.777,1133 5.429,1134 28.805,1135 2.657,1136 17.501,1137 22.748,1138 10.046,1139 35.892,1140 17.056,1141 11127,1142 18603,1143 21.671,1144 35.205,1145 47.726,1146 48.392,1147 48.763,1148 47.602,1149 47.426,1150 60.546,1151 5.904,1152 133.644,1153 44.798,1154 5.6,1155 5.599,1156 6.486,1157 5.216,1158 5.167,1159 7.535,1160 3.423,1161 18.109,1162 5.088,1163 12.685,1164 1.491,1165 1.512,1166 1.524,1167 1.488,1168 1.482,1169 1.892,1170 0.184,1171 4.176,1172 1.4,1173 4.125,1174 4.166,1175 4.113,1176 4.015,1177 7.429,1178 4.029,1179 3.916,1180 3.975,1181 3.919,1182 3.775,1183 5.139,1184 3.773,1185 3.763,1186 3.813,1187 3.77,1188 3.61,1189 5.006,1190 3.626,1191 3.62,1192 3.688,1193 3.521,1194 3.384,1195 4.515,1196 3.407,1197 3.37,1198 3.438,1199 3.349,1200 3.218,1201 4.373,1202 3.223,1203 3.288,1204 3.377,1205 3.237,1206 3.052,1207 4.319,1208 3.057,1209 3.111,1210 3.206,1211 3.078,1212 2.941,1213 4.25,1214 2.91,1215 3.089,1216 3.164,1217 2.912,1218 2.841,1219 3.979,1220 2.846,1221 0.144,1222 0.112,1223 0.21,1224 0.129,1225 0.099,1226 4.6,1227 0.142,1228 3.599,1229 0.061,1230 6.714,1231 0.341,1232 4.141,1233 0.097,1234 3.167,1235 4.535,1236 1.956,1237 10.928,1238 3.088,1239 1.912,1240 1.88,1241 2.085,1242 2.063,1243 1.477,1244 2.07,1245 1.873,1246 1.823,1247 1.967,1248 2.004,1249 1.082,1250 1.996,1251 1.722,1252 1.678,1253 1.801,1254 1.913,1255 0.912,1256 1.887,1257 1.548,1258 1.481,1259 1.781,1260 1.819,1261 0.829,1262 1.815,1263 1.385,1264 1.321,1265 1.551,1266 1.626,1267 0.825,1268 1.612,1269 1.239,1270 1.153,1271 1.513,1272 1.517,1273 0.769,1274 1.518,1275 1.153,1276 1.064,1277 1.488,1278 1.376,1279 0.526,1280 1.429,1281 1.055,1282 0.979,1283 1.377,1284 1.32,1285 0.495,1286 1.339,1287 4.174,1289 5.485,1290 2.398,1291 6.984,1292 4.727,1293 8.572,1294 6.843,1295 10.207,1297 1.77,1298 6.276,1303 4.073,1305 9.353,1308 0.479,1314 33.433,1315 87.451,1316 203.857,1317 254.07,1318 262.825,1319 268.825,1320 276.825,1321 47.862,1322 7.786,1323 107.62,1324 107.62,1325 23,1326 12.545,1327 4.17,1328 3.322,1329 44.943,1330 127,1331 152,1332 0.17,1333 209.514,1334 352.3,1335 502.973,1336 27703,1337 1.9,1338 20.217,1339 0.697,1340 0.585,1341 20.717,1342 16.961,1343 14.119,1344 0.441,1345 0.318,1346 9.684,1347 13.281,1348 9.468,1349 7.838,1350 14.407,1351 10.175,1352 12.64,1353 0.287,1354 0.175,1355 13.048,1356 7.679,1357 10.221,1358 0.179,1359 0.094,1360 10.457,1361 5.378,1362 9.063,1363 0.118,1364 0.052,1365 9.381,1366 3.975,1367 6.993,1368 0.074,1369 0.029,1370 7.225,1371 2.735,1372 0.272,1373 91.609,1374 0.215,1375 27.915,1376 0.451,1377 152,1378 430.206,1379 183.317,1380 449.188,1381 607.5,1382 420,1383 177,1384 428.358,1385 201.325,1386 442.324,1387 647.45,1388 417,1389 6.8}
{0 CHEMBL1997023,1 1.906,2 6.5,3 1.075,4 1.156,5 69.577,6 9.149,7 0.526,8 3.499,9 3.594,10 3.286,11 3.027,12 4.788,13 3.022,14 3.954,15 4.107,16 3.635,17 3.393,18 5.342,19 3.367,20 4.09,21 4.213,22 3.624,23 3.488,24 5.636,25 3.427,26 4.23,27 4.439,28 3.512,29 3.467,30 5.347,31 3.389,32 4.181,33 4.386,34 3.549,35 3.402,36 5.4,37 3.327,38 4.173,39 4.359,40 3.417,41 3.335,42 5.509,43 3.24,44 3.963,45 4.121,46 3.167,47 2.878,48 5.549,49 2.873,50 3.538,51 3.734,52 2.578,53 2.083,54 5.133,55 2.074,56 0.129,57 0.458,58 4.781,59 2.418,60 12.641,61 2.538,62 0.348,63 0.683,64 9.651,65 3.952,66 41.218,67 4.356,68 0.464,69 0.758,70 11.202,71 5.062,72 69.369,73 5.431,74 0.385,75 0.824,76 15.755,77 5.491,78 44.031,79 6.718,80 0.398,81 0.774,82 14.153,83 5.216,84 34.417,85 6.28,86 0.447,87 0.705,88 21.948,89 6.685,90 49.002,91 6.929,92 0.504,93 0.491,94 11.56,95 3.683,96 70.346,97 3.178,98 0.54,99 0.237,100 11.911,101 2.586,102 86.044,103 2,104 32,105 27,106 0.366,107 0.745,108 0.803,109 0.817,110 0.817,111 0.817,112 2.961,113 0.926,114 -1.48,115 -1.56,116 -1.6,119 37.9,124 2,142 2,143 1,144 2,145 1,152 1,158 2,167 1,170 1,172 1,175 2,176 1,178 2,180 1,181 1,183 1,187 1,188 3,191 3,192 1,193 2,196 1,200 2,209 1,212 2,213 3,214 1,216 1,218 1,222 2,224 1,225 2,228 1,230 2,237 1,239 1,249 1,253 1,276 368,277 11.569,278 11.569,279 11.569,280 11.569,281 11.569,282 10.157,283 13.524,284 6.673,285 11.853,286 9.341,287 9.341,288 9.341,289 9.341,290 9.341,291 7.069,292 18.742,293 3.133,294 9.761,295 2.952,296 0.975,297 0.673,298 0.604,299 0.604,300 0.604,301 3.606,305 1,306 1,307 238,308 3.464,311 41.339,312 44.588,315 71.492,319 1,320 22.886,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 40.5,332 117,333 4.525,334 3.846,335 6.522,336 4.075,337 3.114,338 4.438,339 1.437,340 10.27,341 2.99,342 4.061,343 3.221,344 6.026,345 3.674,346 2.69,347 3.516,348 1.058,349 8.562,350 2.645,351 3.889,352 2.882,353 5.74,354 3.518,355 2.55,356 3.228,357 0.8,358 7.439,359 2.436,360 3.24,361 2.723,362 4.947,363 2.859,364 1.915,365 2.51,367 5.478,368 1.795,369 2.784,370 2.125,371 4.302,372 2.379,373 1.439,374 1.831,376 3.861,377 1.341,378 2.664,379 1.514,380 3.618,381 2.138,382 1.159,383 1.667,385 2.613,386 1.116,387 2.522,388 1.132,389 3.433,390 1.999,391 1,392 1.395,394 2.27,395 0.983,396 1.959,397 0.805,398 3.231,399 1.484,400 0.549,401 0.753,403 1.421,404 0.504,405 1.164,406 0.503,407 2.632,408 0.756,409 -0.243,410 -0.322,412 -0.633,413 -0.239,414 0.742,415 0.283,416 2.42,417 0.262,418 -0.694,419 -0.947,421 -2,422 -0.655,423 0.547,424 -0.478,425 1.924,426 0.059,427 -0.953,428 -1,430 -2,431 -0.9,432 0.452,433 -0.6,434 1.555,435 0.001,436 -1,437 -1.28,439 -2.02,440 -0.945,442 -0.631,443 1.52,444 -0.1,445 -1,446 -1.398,448 -2.55,449 -0.971,450 -0.102,451 -1.1,452 1.382,453 -0.434,454 -1.449,455 -1.99,457 -3.912,458 -1.413,459 -0.157,460 -1.423,461 1.198,462 -0.651,463 -1.593,464 -2,466 -4.733,467 -1.483,468 8.533,469 0.474,470 0.6,471 0.033,472 23.75,473 1.319,474 12,475 0.667,476 11.75,477 0.653,478 12.048,479 0.669,480 19.667,481 0.678,482 16.646,483 0.925,484 4.872,485 0.271,486 3.614,487 0.201,488 0.234,490 0.398,496 0.806,497 1.4,498 0.685,499 0.978,500 0.689,501 0.866,502 0.639,503 0.849,504 0.645,505 0.605,506 0.432,507 0.6,508 0.514,509 1.133,510 1.039,511 1.128,512 0.509,513 1.198,514 0.754,515 1.117,516 0.837,517 0.94,518 0.635,519 1.017,520 0.708,521 0.912,522 0.77,523 0.905,524 0.679,525 1.003,526 0.953,527 1.115,528 1.512,529 1.488,530 1.024,531 1.151,532 1.993,533 1.018,534 1.185,535 1.081,536 2.184,537 1.262,538 2.657,539 0.434,540 1.289,541 0.68,542 3.062,543 0.798,544 4.5,546 2.444,547 1.194,548 1.159,549 0.799,550 0.544,551 0.181,552 0.063,554 2328,555 9548,556 1.931,557 37.9,559 8,561 1,562 2,567 1.594,568 1.742,569 2.752,570 0.538,572 1,574 1,577 55.264,578 1.906,579 3.883,580 4.185,581 4.254,582 4.254,583 4.254,584 2.155,585 3.725,586 4.142,587 2.872,588 439.469,589 7.065,590 4161,591 1,592 1,595 140.881,596 1.572,597 4.056,598 0.237,600 0.091,601 0.046,602 0.05,603 0.036,604 0.027,605 0.015,606 0.016,608 0.518,609 0.67,610 1,611 1.561,612 74.909,613 -0.123,614 -0.259,615 0.05,616 -0.037,617 -0.116,618 0.006,619 0.098,620 0.256,621 0.181,622 0.318,623 0.196,624 0.314,625 0.285,626 -0.065,627 -0.198,628 -0.154,629 0.284,630 -0.284,631 -0.063,632 -0.159,633 0.018,634 -0.05,635 -0.032,636 -0.016,637 0.059,638 0.058,639 0.106,640 -0.013,641 0.016,642 -0.02,643 0.014,644 -0.176,645 -0.209,646 -0.274,647 -0.002,648 -0.079,649 -0.443,650 -0.158,651 -0.276,652 -0.244,653 -0.399,654 -0.414,655 -0.483,656 0.224,657 -0.019,658 0.284,659 -0.661,660 0.134,661 3.178,662 4.219,663 0.5,664 11.556,665 1.031,666 1.128,667 0.248,668 0.061,669 0.692,670 2.996,671 3.332,672 3.555,673 3.761,674 3.951,675 4.078,676 4.111,677 4.007,678 3.638,679 3.332,680 4.311,681 0.673,682 265.32,683 2.996,684 4.533,685 5.371,686 6.248,687 7.116,688 7.999,689 8.876,690 9.762,691 10.643,692 11.531,693 10.3,699 1,700 1,703 1,708 2,709 3,710 1,713 1,714 2,716 10,730 1,735 29,737 12,738 1,739 19,741 30,742 11,743 7,744 4,745 2,746 2,748 2,749 3,762 9,763 2,767 2,772 2,776 2,780 1,783 11,784 6,785 2,786 7,787 1,790 1,792 3,797 0.5,798 3,815 1,816 1,819 1,829 1,831 1,841 1,843 1,845 1,847 2,851 18,857 1,860 1,864 1,874 10.3,876 1,877 2,881 10.333,882 5.85,883 3.944,884 1.454,886 2.281,887 1.372,888 0.931,889 3.59,890 8.418,891 3.296,892 3.917,893 4.498,894 5.06,895 5.575,896 5.982,897 6.352,898 6.63,899 6.343,900 6.29,901 1,902 26,903 6.62,905 2.803,906 8.241,907 12.003,909 9.375,911 2.741,912 49.333,916 105.94,917 90.291,918 36.111,920 92.973,922 31.052,923 59.239,924 198.913,925 36.111,926 16.793,927 18.011,928 18.952,929 125.335,930 20.258,931 0.746,932 125.221,934 105.94,935 95.351,936 92.973,937 31.052,939 105.94,940 92.973,943 27.058,944 53.316,945 14.976,946 31.052,947 105.94,948 129.084,949 90.291,952 105.94,953 45.499,954 47.917,955 18.011,956 107.949,957 105.94,958 129.084,959 90.291,961 0.593,962 0.338,963 0.161,964 0.09,965 13,966 7,967 0.1,968 3,969 1,970 1.222,971 2.895,972 126.456,973 0.222,974 9,975 73.059,977 1,981 12.925,982 5,983 2.679,984 1.846,985 129.084,986 5.259,987 4.051,990 1.347,991 1.196,993 60.694,994 325.316,995 26,1000 21.782,1004 -2.566,1007 29.898,1008 32.704,1009 0.392,1010 0.799,1011 0.862,1012 0.876,1013 0.876,1014 0.876,1015 4.527,1016 0.549,1017 5.389,1018 2.27,1019 4.007,1020 4.6,1021 2.12,1022 6.209,1023 3.927,1024 5.764,1025 -0.243,1026 6.969,1027 1.421,1028 3.761,1029 4.59,1030 0.325,1031 7.149,1032 3.654,1033 7.09,1034 -0.694,1035 8.647,1036 -0.633,1037 5.617,1038 6.862,1039 2.525,1040 10.209,1041 5.466,1042 8.452,1043 -0.953,1044 10.377,1045 -2,1046 6.133,1047 7.656,1048 0.268,1049 11.923,1050 5.952,1051 9.843,1052 -1,1053 12.14,1054 -2,1055 7.519,1056 9.448,1057 3.076,1058 14.509,1059 7.301,1060 11.255,1061 -1,1062 13.924,1063 -2.02,1064 8.36,1065 10.602,1066 0.188,1067 16.549,1068 8.106,1069 12.683,1070 -1.449,1071 15.722,1072 -2.55,1073 9.57,1074 12.208,1075 3.704,1076 18.963,1077 9.281,1078 3.114,1079 -1.593,1080 17.531,1081 -3.912,1082 10.556,1083 13.534,1084 0.125,1085 21.151,1086 10.227,1087 2.69,1088 10.27,1089 19.349,1090 -4.733,1091 11.701,1092 15.066,1093 4.376,1094 23.501,1095 11.335,1096 2.55,1097 8.562,1098 21.172,1099 4.438,1100 12.754,1101 16.474,1102 0.082,1103 25.758,1104 12.347,1105 1.915,1106 7.439,1107 23.001,1108 3.516,1109 13.876,1110 17.976,1111 5.073,1112 28.086,1113 13.431,1114 1.439,1115 5.478,1116 24.835,1117 3.228,1118 14.963,1119 19.425,1120 0.054,1121 30.377,1122 14.475,1123 1.159,1124 3.861,1125 26.673,1126 2.51,1127 16.081,1128 20.917,1129 5.783,1130 32.699,1131 15.553,1132 1,1133 2.613,1134 28.513,1135 1.831,1136 17.185,1137 22.386,1138 0.035,1139 35.006,1140 16.615,1141 2462,1142 5083,1143 11.849,1144 20.074,1145 29.391,1146 30.245,1147 30.164,1148 28.843,1149 28.834,1150 38.674,1151 6.59,1152 83.828,1153 27.621,1154 5.35,1155 5.846,1156 6.022,1157 5.116,1158 5.114,1159 7.438,1160 2.873,1161 17.077,1162 4.99,1163 11.028,1164 1.547,1165 1.592,1166 1.588,1167 1.518,1168 1.518,1169 2.035,1170 0.347,1171 4.412,1172 1.454,1173 4.071,1174 4.089,1175 4.302,1176 4.05,1177 7.53,1178 4.015,1179 3.624,1180 3.647,1181 3.692,1182 3.42,1183 7.368,1184 3.432,1185 3.524,1186 3.577,1187 3.483,1188 3.26,1189 6.349,1190 3.301,1191 3.159,1192 3.199,1193 3.172,1194 2.994,1195 4.953,1196 2.972,1197 2.9,1198 3.009,1199 2.815,1200 2.801,1201 4.435,1202 2.771,1203 2.874,1204 2.953,1205 2.727,1206 2.618,1207 4.096,1208 2.57,1209 2.7,1210 2.716,1211 2.499,1212 2.298,1213 3.734,1214 2.36,1215 2.229,1216 2.289,1217 2.287,1218 2.003,1219 3.474,1220 1.998,1221 0.238,1222 0.202,1223 0.343,1224 0.214,1225 0.164,1226 4.525,1227 0.234,1228 3.846,1229 0.076,1230 6.522,1231 0.541,1232 4.075,1233 0.157,1234 3.114,1235 4.438,1236 1.437,1237 10.27,1238 2.99,1239 1.939,1240 1.921,1241 1.998,1242 2.03,1243 1.189,1244 2.027,1245 1.443,1246 1.392,1247 1.724,1248 1.718,1249 0.804,1250 1.71,1251 1.385,1252 1.358,1253 1.441,1254 1.662,1255 0.469,1256 1.61,1257 1.205,1258 1.174,1259 1.417,1260 1.345,1261 0.364,1262 1.379,1263 0.934,1264 0.864,1265 1.275,1266 1.239,1267 0.344,1268 1.308,1269 0.885,1270 0.804,1271 1.027,1272 1.165,1274 1.122,1275 0.59,1276 0.538,1277 0.783,1278 0.814,1280 0.828,1281 0.388,1282 0.368,1283 0.503,1284 0.702,1286 0.714,1287 3.664,1289 4.99,1290 2.398,1291 6.497,1292 4.595,1293 8.092,1294 6.581,1295 9.739,1297 3.636,1302 8.61,1305 2.37,1309 1.802,1314 19.503,1315 55.264,1316 112.617,1317 121.372,1318 123.372,1319 123.372,1320 123.372,1321 31.187,1322 6.138,1323 82.53,1324 110.77,1325 11,1326 12.063,1327 3.7,1328 3,1329 30.734,1330 45,1331 42,1332 0.345,1333 127.438,1334 214.38,1335 302.708,1336 2818,1338 13.284,1339 0.738,1340 0.59,1341 13.638,1342 10.615,1343 8.486,1344 0.447,1345 0.309,1346 5.043,1347 7.557,1348 4.794,1349 4.029,1350 8.94,1351 5.862,1352 8.047,1353 0.298,1354 0.175,1355 8.631,1356 4.72,1357 6.271,1358 0.184,1359 0.093,1360 6.911,1361 3.156,1362 4.677,1363 0.111,1364 0.053,1365 5.378,1366 2.213,1367 3.596,1368 0.071,1369 0.029,1370 4.174,1371 1.457,1372 0.511,1373 58.842,1374 0.291,1375 17.655,1376 1.036,1377 92,1378 348.104,1379 126.115,1380 352.901,1381 462.04,1382 324,1383 107,1384 309.34,1385 138.044,1386 331.879,1387 476.57,1388 307,1389 5.1}
{0 CHEMBL1997025,1 1.609,2 10.12,3 2.701,4 7.296,5 93.722,6 7.691,7 0.571,8 3.9,9 4.028,10 3.488,11 3.46,12 5.033,13 3.447,14 4.436,15 4.6,16 3.874,17 3.884,18 5.581,19 3.846,20 4.734,21 4.951,22 3.937,23 4.01,24 5.805,25 3.945,26 4.761,27 4.997,28 3.915,29 3.944,30 5.949,31 3.876,32 4.674,33 4.921,34 3.752,35 3.813,36 5.829,37 3.745,38 4.476,39 4.709,40 3.547,41 3.66,42 5.638,43 3.583,44 4.308,45 4.528,46 3.506,47 3.494,48 5.547,49 3.453,50 4.248,51 4.477,52 3.353,53 3.349,54 5.693,55 3.297,56 0.061,57 0.745,58 8.54,59 3.839,60 11.157,61 4.897,62 0.169,63 1.209,64 15.951,65 6.896,66 29.289,67 9.046,68 0.253,69 1.509,70 24.385,71 9.273,72 44.053,73 12.463,74 0.478,75 1.553,76 26.204,77 8.966,78 66.7,79 12.441,80 0.426,81 1.418,82 24.941,83 8.367,84 60.649,85 11.027,86 0.374,87 1.229,88 20.287,89 7.352,90 57.301,91 9.252,92 0.227,93 1.091,94 16.723,95 6.131,96 41.624,97 7.471,98 0.537,99 0.939,100 16.329,101 4.854,102 90.693,103 6.18,104 11,105 40,106 0.277,107 0.652,108 0.801,109 0.893,110 0.901,111 0.901,112 3.267,113 0.902,114 -4.12,115 -4.06,116 -3.84,119 43.2,121 2,122 1,125 2,142 6,143 3,144 1,146 1,152 1,158 1,161 1,163 1,164 1,165 1,172 10,175 3,177 1,178 2,180 5,183 10,185 1,188 4,193 6,196 7,198 1,199 1,200 4,202 1,203 1,205 6,208 6,210 1,213 2,216 1,217 1,218 3,220 1,221 6,223 1,225 2,230 3,233 7,235 1,238 2,243 2,246 6,248 1,250 3,253 1,254 1,255 3,258 4,260 2,264 1,269 1,272 4,274 1,276 852,277 16.999,278 16.999,279 16.999,280 16.999,281 16.999,282 15.037,283 13.796,284 9.958,285 17.197,286 13.832,287 13.832,288 13.832,289 13.832,290 13.832,291 10.794,292 13.159,293 4.711,294 14.186,295 3.85,296 1.672,297 0.807,298 0.273,299 0.227,300 0.227,301 3.965,304 1,305 1,306 1,307 556,308 2.646,311 50.029,312 223.927,315 99.627,319 1.725,320 30.905,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 54.5,332 253,333 4.635,334 3.547,335 6.715,336 4.174,337 3.204,338 4.574,339 0.98,340 10.921,341 3.109,342 4.324,343 3.279,344 6.427,345 3.958,346 2.97,347 3.98,348 0.4,349 9.857,350 2.93,351 3.941,352 3.012,353 6.11,354 3.698,355 2.711,356 3.327,358 8.928,359 2.669,360 3.714,361 2.829,362 5.598,363 3.325,364 2.34,365 3.051,367 7.154,368 2.294,369 3.232,370 2.182,371 4.963,372 2.882,373 1.914,374 2.482,376 5.443,377 1.849,378 2.96,379 1.995,380 4.402,381 2.635,382 1.689,383 2.108,385 4.252,386 1.587,387 2.912,388 1.759,389 4.367,390 2.422,391 1.449,392 2.007,394 3.871,395 1.4,396 2.844,397 1.498,398 3.95,399 2.334,400 1.334,401 1.933,403 3.202,404 1.321,405 2.604,406 1.328,407 3.738,408 2.205,409 1.227,410 1.646,412 2.888,413 1.196,414 2.214,415 1.139,416 3.504,417 1.979,418 1,419 1.186,421 2.603,422 0.977,423 2,424 1.025,425 3.247,426 1.953,427 1,428 1,430 2.136,431 0.951,432 1.939,433 0.588,434 3.151,435 1.386,436 0.433,437 0.64,439 1.138,440 0.411,441 1.204,442 0.319,443 2.76,444 0.834,445 -0.104,446 -0.129,448 -0.259,449 -0.095,450 0.902,451 0.099,452 2.467,453 0.424,454 -0.544,455 -0.62,457 -1.335,458 -0.499,459 0.739,460 -0.192,461 2.336,462 0.386,463 -0.573,464 -0.772,466 -1.427,467 -0.564,468 11.719,469 0.469,470 0.627,471 0.025,472 31.75,473 1.27,474 15.5,475 0.62,476 16.25,477 0.65,478 19.758,479 0.79,480 26.681,481 0.606,482 23.217,483 0.929,484 6.177,485 0.247,486 5.954,487 0.238,488 0.087,490 0.384,494 1,496 0.702,497 1.024,498 0.758,499 0.922,500 0.599,501 0.853,502 0.593,503 1.043,504 0.811,505 1.053,506 0.47,507 0.992,508 0.849,509 1.103,510 0.883,511 1.051,512 0.771,513 0.992,514 0.809,515 1.003,516 0.901,517 1.015,518 0.796,519 0.986,520 1.211,521 1.073,522 1,523 0.939,524 1.208,525 0.925,526 1.383,527 1.149,528 1.101,529 1.01,530 1.477,531 1.01,532 1.559,533 1.5,534 1.025,535 1.129,536 1.569,537 1.007,538 1.473,539 0.996,540 1.278,541 0.951,542 1.392,543 1.042,544 4.5,545 0.085,546 3.111,547 1.882,548 1.303,549 1.153,550 0.492,551 0.34,552 0.171,553 0.147,554 7305,555 19061,556 2.13,557 43.2,558 2,559 10,562 4,564 3,567 1.679,568 2,569 3.311,570 1.736,571 1,572 1,574 1,577 70.794,578 1.609,579 3.788,580 4.652,581 5.187,582 5.232,583 5.232,584 2.779,585 4.004,586 4.614,587 3.469,588 1040.76,589 7.974,590 12367,592 1,594 1,595 240.215,596 1.388,597 4.579,598 0.161,599 0.006,600 0.078,601 0.046,602 0.034,603 0.036,604 0.019,605 0.014,606 0.009,607 0.01,608 0.412,609 0.33,610 1,611 0.739,612 120.013,613 -0.088,614 0.031,615 0.017,616 0.095,617 -0.059,618 0.088,619 0.058,620 -0.047,621 0.02,622 -0.04,623 0.102,624 -0.024,625 -0.038,626 -0.153,627 0.046,628 -0.051,629 0.008,631 0.138,632 -0.022,633 0.075,634 -0.052,635 0.097,636 -0.016,637 -0.052,638 -0.005,639 0.023,640 0.032,641 -0.069,642 0.044,643 -0.083,644 0.041,645 -0.075,646 0.012,647 -0.13,648 -0.023,649 -0.126,650 -0.206,651 0.009,652 -0.103,653 -0.096,654 -0.034,655 0.089,656 0.24,657 -0.219,658 -0.024,659 0.181,660 -0.15,661 2.218,662 6.706,663 0.84,664 22.17,665 1.007,666 1.133,667 2.888,668 8.34,669 0.671,670 3.367,671 3.714,672 4.025,673 4.317,674 4.543,675 4.654,676 4.828,677 4.905,678 4.99,679 5.112,680 6.005,681 0.645,682 338.42,683 3.367,684 4.92,685 5.79,686 6.683,687 7.571,688 8.47,689 9.365,690 10.267,691 11.166,692 12.07,693 9.1,695 1,700 1,701 1,703 1,708 2,709 6,710 1,711 1,714 5,716 16,722 1,734 1,735 44,737 17,738 2,739 28,741 47,742 19,743 13,744 6,745 6,746 1,748 4,749 5,757 2,758 1,760 2,762 14,763 5,764 1,767 1,772 1,776 1,779 1,780 1,781 1,783 19,784 5,785 4,786 6,789 1,792 4,797 0.75,798 1,815 1,816 3,819 1,838 1,843 3,849 1,851 25,852 1,858 4,860 1,863 1,873 1,874 2.3,877 1,881 12.5,882 7.676,883 5.417,884 2.698,886 3.315,887 1.44,888 1.038,889 4.179,890 10.855,891 3.638,892 4.273,893 4.919,894 5.568,895 6.129,896 6.549,897 7.038,898 7.451,899 7.796,900 8.21,901 0.857,902 41,903 9.306,905 4.137,906 7.887,907 17.645,909 15.066,911 2.387,912 59.667,915 1,916 176.567,917 96.137,918 84.479,920 25.145,921 14.96,923 96.137,924 201.711,925 99.439,927 42.178,928 74.868,929 48.963,930 37.607,931 17.104,932 176.567,934 176.567,935 180.616,936 40.105,939 156.213,940 60.458,943 81.446,944 82.384,945 16.786,947 191.527,948 109.624,949 96.137,952 176.567,953 39.279,954 56.857,955 34.796,956 89.788,957 176.567,958 124.584,959 96.137,961 0.586,962 0.35,963 0.195,964 0.105,965 21,966 9,967 0.064,968 3,969 1,970 1.095,971 3.706,972 214.798,973 0.095,974 21,975 116.096,981 16.099,982 6.49,983 3.003,984 1.121,985 107.799,986 10.428,987 4.398,988 3.076,991 1.795,993 67.693,994 397.287,995 37,1000 11.536,1004 -0.552,1007 44.316,1008 49.864,1009 0.295,1010 0.694,1011 0.852,1012 0.95,1013 0.958,1014 0.958,1015 4.883,1016 1.334,1017 5.784,1018 3.871,1019 4.394,1020 4.959,1021 1.176,1022 6.627,1023 4.344,1024 6.1,1025 1.227,1026 7.362,1027 3.202,1028 4.007,1029 4.844,1031 7.585,1032 3.938,1033 7.422,1034 1,1035 9.043,1036 2.888,1037 6.014,1038 7.222,1039 1.063,1040 10.708,1041 5.922,1042 8.783,1043 1,1044 10.784,1045 2.603,1046 6.463,1047 7.97,1049 12.497,1050 6.349,1051 10.178,1052 0.433,1053 12.563,1054 2.136,1055 7.939,1056 9.824,1057 1.022,1058 15.123,1059 7.805,1060 11.599,1061 -0.104,1062 14.368,1063 1.138,1064 8.764,1065 10.97,1067 17.237,1068 8.603,1069 13.039,1070 -0.544,1071 16.19,1072 -0.259,1073 10.03,1074 12.615,1075 0.993,1076 19.692,1077 9.848,1078 3.204,1079 -0.573,1080 18.025,1081 -1.335,1082 11.025,1083 13.95,1085 21.944,1086 10.814,1087 2.97,1088 10.921,1089 19.87,1090 -1.427,1091 12.207,1092 15.508,1093 0.967,1094 24.338,1095 11.973,1096 2.711,1097 9.857,1098 21.721,1099 4.574,1100 13.28,1101 16.933,1103 26.651,1104 13.016,1105 2.34,1106 8.928,1107 23.579,1108 3.98,1109 14.431,1110 18.457,1111 0.942,1112 29.024,1113 14.142,1114 1.914,1115 7.154,1116 25.441,1117 3.327,1118 15.54,1119 19.926,1121 31.367,1122 15.221,1123 1.689,1124 5.443,1125 27.307,1126 3.051,1127 16.683,1128 21.439,1129 0.917,1130 33.736,1131 16.335,1132 1.449,1133 4.252,1134 29.176,1135 2.482,1136 17.809,1137 22.929,1139 36.093,1140 17.432,1141 6904,1142 11313,1143 18.898,1144 29.506,1145 42.926,1146 43.625,1147 43.774,1148 42.584,1149 42.543,1150 55.867,1151 2.76,1152 124.784,1153 41.388,1154 5.635,1155 5.547,1156 6.517,1157 5.21,1158 5.204,1159 7.574,1160 1.96,1161 18.014,1162 5.109,1163 10.882,1164 1.533,1165 1.558,1166 1.563,1167 1.521,1168 1.519,1169 1.995,1170 0.099,1171 4.457,1172 1.478,1173 4.141,1174 4.178,1175 4.114,1176 4.033,1177 8.201,1178 4.047,1179 3.942,1180 3.98,1181 3.878,1182 3.865,1183 7.437,1184 3.864,1185 3.723,1186 3.776,1187 3.615,1188 3.592,1189 5.06,1190 3.588,1191 3.452,1192 3.505,1193 3.392,1194 3.237,1195 4.868,1196 3.264,1197 3.262,1198 3.321,1199 3.165,1200 3.067,1201 4.604,1202 3.088,1203 3.088,1204 3.174,1205 2.933,1206 2.933,1207 4.347,1208 2.919,1209 3.022,1210 3.126,1211 2.813,1212 2.762,1213 4.24,1214 2.76,1215 2.895,1216 2.955,1217 2.784,1218 2.733,1219 3.774,1220 2.733,1221 0.166,1222 0.127,1223 0.24,1224 0.149,1225 0.114,1226 4.635,1227 0.163,1228 3.547,1229 0.035,1230 6.715,1231 0.39,1232 4.174,1233 0.111,1234 3.204,1235 4.574,1236 0.98,1237 10.921,1238 3.109,1239 1.966,1240 1.938,1241 2.096,1242 2.073,1243 1.425,1244 2.082,1245 1.929,1246 1.907,1247 2.007,1248 2.026,1249 1.126,1250 2.021,1251 1.729,1252 1.674,1253 1.899,1254 1.898,1255 1.076,1256 1.9,1257 1.364,1258 1.31,1259 1.513,1260 1.621,1261 0.785,1262 1.589,1263 1.174,1264 1.122,1265 1.43,1266 1.461,1267 0.579,1268 1.441,1269 1.058,1270 0.971,1271 1.362,1272 1.335,1273 0.442,1274 1.367,1275 0.988,1276 0.899,1277 1.286,1278 1.269,1279 0.206,1280 1.294,1281 0.934,1282 0.865,1283 1.111,1284 1.125,1285 0.173,1286 1.123,1287 4.043,1289 5.38,1290 2.398,1291 6.919,1292 4.727,1293 8.547,1294 6.862,1295 10.221,1299 14.706,1301 5.387,1303 4.079,1305 3.349,1308 0.342,1314 28.398,1315 70.794,1316 166.666,1317 204.705,1318 228.215,1319 230.215,1320 230.215,1321 46.641,1322 7.54,1323 83.8,1324 83.8,1325 23,1326 12.59,1327 4.17,1328 3.322,1329 35.998,1330 90,1331 89,1332 0.199,1333 172.404,1334 292.86,1335 412.425,1336 18639,1337 2.3,1338 17.389,1339 0.696,1340 0.547,1341 16.518,1342 13.681,1343 12.131,1344 0.433,1345 0.301,1346 8.319,1347 11.716,1348 8.192,1349 6.745,1350 11.72,1351 8.423,1352 11.107,1353 0.278,1354 0.161,1355 10.567,1356 6.434,1357 9.503,1358 0.173,1359 0.087,1360 9.104,1361 4.795,1362 8.261,1363 0.112,1364 0.047,1365 7.794,1366 3.472,1367 6.603,1368 0.071,1369 0.026,1370 6.327,1371 2.413,1372 0.31,1373 75.835,1374 0.23,1375 24.152,1376 0.553,1377 136,1378 417.47,1379 148.623,1380 384.255,1381 521.45,1382 358,1383 163,1384 383.012,1385 175.342,1386 383.874,1387 567.11,1388 363,1389 5.1}
{0 CHEMBL1997051,1 1.755,2 15.273,3 6.824,4 46.566,5 166.627,6 8.616,7 0.673,8 4.386,9 4.494,10 4.102,11 3.957,12 5.594,13 3.95,14 4.885,15 5.04,16 4.486,17 4.327,18 6.089,19 4.316,20 5.067,21 5.227,22 4.538,23 4.444,24 6.291,25 4.419,26 5.208,27 5.417,28 4.592,29 4.446,30 6.609,31 4.42,32 5.164,33 5.345,34 4.58,35 4.514,36 6.358,37 4.469,38 5.231,39 5.433,40 4.605,41 4.56,42 6.357,43 4.494,44 5.212,45 5.409,46 4.562,47 4.504,48 6.385,49 4.451,50 5.188,51 5.395,52 4.456,53 4.454,54 6.296,55 4.392,56 0.131,57 1.23,58 11.264,59 6.132,60 11.108,61 6.82,62 0.511,63 1.966,64 24.747,65 9.901,66 33.005,67 11.318,68 0.514,69 2.349,70 28.158,71 12.528,72 52.027,73 14.139,74 1.231,75 2.66,76 38.935,77 14.117,78 173.434,79 17.266,80 0.824,81 2.45,82 33.513,83 13.114,84 78.799,85 15.016,86 0.695,87 2.542,88 41.28,89 15.87,90 63.179,91 19.028,92 0.832,93 2.603,94 39.292,95 14.031,96 80.843,97 16.224,98 0.803,99 2.389,100 40.319,101 14.794,102 66.863,103 17.46,104 42,105 70,106 0.268,107 0.616,108 0.784,109 0.866,110 0.87,111 0.87,112 3.81,113 0.883,114 -4.76,115 -4.68,116 -4.39,119 45.1,124 3,125 1,142 11,143 3,144 5,145 1,146 2,150 1,151 2,152 1,158 1,162 1,172 9,174 2,175 8,178 3,180 4,183 9,187 1,188 8,191 1,193 4,196 4,199 1,200 13,205 5,208 4,212 3,213 12,216 3,218 1,221 7,224 2,225 6,228 2,230 1,233 8,237 3,238 7,241 1,243 5,246 10,249 2,250 5,255 1,258 6,263 2,264 11,267 1,268 1,269 1,272 8,276 4574,277 29.833,278 29.833,279 29.833,280 29.833,281 29.833,282 25.812,283 29.871,284 17.416,285 30.794,286 24.169,287 24.169,288 24.169,289 24.169,290 24.169,291 18.024,292 44.826,293 8.193,294 25.698,295 4.395,296 2.115,297 1.019,298 0.483,299 0.454,300 0.454,301 4.52,306 1,307 1461,308 4.123,311 208.407,312 540.813,314 169.524,319 2.603,320 52.734,323 0.75,324 0.5,325 0.67,326 0.5,328 0.83,329 1,330 0.61,331 96.5,332 672,333 4.738,334 3.677,335 7.021,336 4.268,337 3.327,338 4.68,339 1.058,340 12.063,341 3.145,342 4.448,343 3.329,344 6.679,345 4.068,346 3.093,347 4.103,348 0.916,349 10.601,350 3.005,351 4.295,352 3.172,353 6.203,354 3.9,355 2.942,356 3.935,357 0.86,358 9.313,359 2.821,360 4.103,361 3.028,362 6.025,363 3.671,364 2.702,365 3.743,366 0.4,367 8.615,368 2.615,369 4.027,370 2.818,371 5.793,372 3.521,373 2.606,374 3.654,375 0.172,376 8.005,377 2.384,378 3.681,379 2.708,380 5.411,381 3.35,382 2.408,383 3.076,385 7.076,386 2.261,387 3.612,388 2.653,389 5.362,390 3.256,391 2.31,392 2.9,394 6.947,395 2.175,396 3.453,397 2.592,398 5.241,399 3.034,400 2.108,401 2.748,403 6.45,404 1.937,405 3.294,406 2.327,407 4.841,408 2.855,409 1.879,410 2.549,412 5.104,413 1.836,414 3.232,415 2.19,416 4.787,417 2.787,418 1.858,419 2.481,421 5.019,422 1.708,423 2.982,424 2.149,425 4.577,426 2.774,427 1.843,428 2.146,430 4.548,431 1.678,432 2.956,433 1.735,434 4.431,435 2.486,436 1.549,437 2.082,439 4.366,440 1.447,441 2.899,442 1.462,443 4.376,444 2.376,445 1.423,446 2.013,448 3.956,449 1.355,450 2.801,451 1.41,452 4.257,453 2.284,454 1.355,455 1.93,457 3.773,458 1.246,459 2.678,460 1.356,461 3.719,462 2.171,463 1.198,464 1.752,466 2.732,467 1.158,468 20.871,469 0.474,470 1.13,471 0.026,472 62.75,473 1.426,474 33,475 0.75,476 29.75,477 0.676,478 38.343,479 0.871,480 45.729,481 0.644,482 57.852,483 1.315,484 12.712,485 0.289,486 8.588,487 0.195,488 0.115,490 0.374,494 2,496 0.696,497 1.139,498 0.67,499 0.964,500 0.554,501 0.866,502 0.823,503 0.932,504 0.785,505 0.857,506 0.594,507 0.769,508 0.995,509 1.216,510 0.901,511 1.082,512 0.978,513 1.051,514 0.82,515 0.92,516 0.695,517 0.786,518 0.678,519 0.805,520 0.977,521 0.874,522 0.969,523 0.88,524 0.993,525 0.963,526 0.715,527 0.91,528 0.946,529 0.982,530 0.579,531 0.931,532 1.024,533 1,534 1.103,535 1.041,536 0.895,537 1.039,538 0.967,539 0.954,540 1.027,541 0.968,542 0.745,543 0.969,544 9,545 0.512,546 4.444,547 3.944,548 2.606,549 1.483,550 1.002,551 0.728,552 0.642,553 0.452,554 34315,555 104044,556 2.109,557 38,559 22,560 2,561 1,562 2,567 1.825,568 1.97,569 3.85,570 0.149,577 124.599,578 1.755,579 4.035,580 5.131,581 5.667,582 5.695,583 5.695,584 3.349,585 5.005,586 5.429,587 4.078,588 3858.2,589 9.633,590 71198,595 436.632,596 1.423,597 5.389,598 0.184,599 0.008,600 0.063,601 0.054,602 0.035,603 0.02,604 0.013,605 0.01,606 0.01,607 0.007,608 0.404,609 0.17,610 0.75,611 0.843,612 255.02,613 -0.056,614 -0.162,615 0.053,616 -0.039,617 -0.058,618 -0.002,619 -0.007,620 0.04,621 0.086,622 0.087,623 0.027,624 0.125,625 -0.075,626 -0.194,627 -0.076,628 -0.155,629 -0.069,630 -0.139,631 0.232,632 0.069,633 0.201,634 0.117,635 0.379,636 0.152,637 -0.093,638 0.085,639 -0.092,640 0.037,641 -0.131,642 -0.053,643 0.004,644 -0.051,645 0.059,646 0.024,647 0.026,648 0.063,649 -0.111,650 -0.009,651 -0.124,652 -0.073,653 -0.086,654 -0.1,655 -0.082,656 -0.063,657 -0.047,658 0.007,659 -0.034,660 0.017,661 2.606,662 6.215,663 0.727,664 59.857,665 1.017,666 1.128,667 3.532,668 12.478,669 0.702,670 3.912,671 4.263,672 4.564,673 4.89,674 5.094,675 5.247,676 5.416,677 5.572,678 5.704,679 5.864,680 9.029,681 0.681,682 611.73,683 3.912,684 5.476,685 6.344,686 7.244,687 8.128,688 9.034,689 9.927,690 10.837,691 11.735,692 12.647,693 9.9,696 1,700 1,701 2,703 3,708 1,709 14,710 3,713 1,714 12,716 33,723 1,728 1,733 1,734 2,735 71,737 34,738 3,739 49,741 76,742 32,743 27,744 8,745 10,746 1,748 6,749 7,762 28,763 4,767 1,772 1,776 1,781 2,783 27,784 10,785 2,786 12,787 1,789 1,792 7,797 0.833,798 2,810 1,815 2,816 4,818 1,839 1,843 5,845 1,847 3,849 2,851 44,858 1,860 2,861 1,864 1,868 1,873 2,874 2.8,877 1,879 1,881 22.333,882 13.952,883 9.583,884 3.909,886 6.558,887 1.699,888 1.025,889 8.556,890 15.94,891 4.212,892 4.868,893 5.502,894 6.157,895 6.686,896 7.071,897 7.553,898 7.984,899 8.435,900 8.865,901 1,902 73,903 16.347,905 7.149,906 7.89,907 30.451,909 24.861,911 2.39,912 105.167,916 294.278,917 244.472,918 90.789,920 36.145,921 29.92,922 31.278,923 213.194,924 330.422,925 120.709,926 27.676,927 20.116,928 120.935,929 91.977,930 86.538,931 58.118,932 290.242,934 294.278,935 303.983,936 66.065,937 31.278,939 324.198,940 36.145,943 58.998,944 194.628,945 50.357,946 31.278,947 324.198,948 126.934,949 244.472,952 294.278,953 86.813,954 162.069,955 36.022,956 116.422,957 294.278,958 156.854,959 244.472,961 0.584,962 0.344,963 0.198,964 0.102,965 34,966 16,967 0.118,968 9,969 1,970 1.063,971 5.14,972 475.466,973 0.063,974 32,975 230.215,977 1,981 29.672,982 12.687,983 6.308,984 0.74,985 155.567,986 23.422,987 14.121,990 1.464,991 3.277,993 36.022,994 695.603,995 66.5,1000 12.754,1004 -0.889,1007 72.189,1008 80.074,1009 0.285,1010 0.656,1011 0.834,1012 0.922,1013 0.926,1014 0.926,1015 5.456,1016 2.108,1017 6.34,1018 6.947,1019 4.949,1020 5.557,1021 1.878,1022 7.183,1023 4.837,1024 6.686,1025 1.879,1026 7.915,1027 6.45,1028 4.575,1029 5.4,1030 0.325,1031 8.136,1032 4.409,1033 8.007,1034 1.858,1035 9.59,1036 5.104,1037 6.569,1038 7.814,1039 1.725,1040 11.272,1041 6.366,1042 9.366,1043 1.843,1044 11.323,1045 5.019,1046 7.013,1047 8.495,1048 0.393,1049 13.088,1050 6.755,1051 10.756,1052 1.549,1053 13.097,1054 4.548,1055 8.483,1056 10.375,1057 1.673,1058 15.75,1059 8.195,1060 12.171,1061 1.423,1062 14.9,1063 4.366,1064 9.309,1065 11.466,1066 0.384,1067 17.936,1068 8.966,1069 13.605,1070 1.355,1071 16.725,1072 3.956,1073 10.577,1074 13.124,1075 1.667,1076 20.447,1077 10.201,1078 3.327,1079 1.198,1080 18.567,1081 3.773,1082 11.583,1083 14.422,1084 0.351,1085 22.793,1086 11.153,1087 3.093,1088 12.063,1089 20.423,1090 2.732,1091 12.775,1092 15.986,1093 1.688,1094 25.262,1095 12.308,1096 2.942,1097 10.601,1098 22.291,1099 4.68,1100 13.866,1101 17.391,1102 0.312,1103 27.676,1104 13.346,1105 2.702,1106 9.313,1107 24.169,1108 4.103,1109 15.035,1110 18.919,1111 1.729,1112 30.138,1113 14.471,1114 2.606,1115 8.615,1116 26.055,1117 3.935,1118 16.166,1119 20.379,1120 0.273,1121 32.584,1122 15.551,1123 2.408,1124 8.005,1125 27.948,1126 3.743,1127 17.331,1128 21.898,1129 1.786,1130 35.049,1131 16.667,1132 2.31,1133 7.076,1134 29.847,1135 3.654,1136 18.484,1137 23.388,1138 0.236,1139 37.511,1140 17.767,1141 32175,1142 56404,1143 32.827,1144 49.847,1145 74.46,1146 75.561,1147 76.633,1148 73.289,1149 73.279,1150 99.059,1151 6.814,1152 215.515,1153 68.956,1154 5.577,1155 5.677,1156 6.569,1157 5.412,1158 5.327,1159 7.68,1160 2.117,1161 19.438,1162 5.145,1163 23.409,1164 1.52,1165 1.542,1166 1.564,1167 1.496,1168 1.495,1169 2.022,1170 0.139,1171 4.398,1172 1.407,1173 4.161,1174 4.196,1175 4.359,1176 4.068,1177 8.211,1178 4.057,1179 3.964,1180 3.994,1181 3.955,1182 3.874,1183 8.191,1184 3.876,1185 3.946,1186 3.972,1187 3.908,1188 3.853,1189 7.428,1190 3.861,1191 3.837,1192 3.867,1193 3.829,1194 3.779,1195 5.103,1196 3.766,1197 3.747,1198 3.798,1199 3.745,1200 3.612,1201 4.934,1202 3.614,1203 3.559,1204 3.641,1205 3.422,1206 3.324,1207 4.82,1208 3.334,1209 3.326,1210 3.36,1211 3.339,1212 3.154,1213 4.701,1214 3.161,1215 3.245,1216 3.314,1217 3.208,1218 3.048,1219 4.499,1220 3.049,1221 0.097,1222 0.075,1223 0.143,1224 0.087,1225 0.068,1226 4.738,1227 0.096,1228 3.677,1229 0.022,1230 7.021,1231 0.246,1232 4.268,1233 0.064,1234 3.327,1235 4.68,1236 1.058,1237 12.063,1238 3.145,1239 1.944,1240 1.919,1241 2.028,1242 2.06,1243 1.189,1244 2.049,1245 1.918,1246 1.893,1247 2.017,1248 2.031,1249 1.136,1250 2.025,1251 1.869,1252 1.85,1253 1.948,1254 1.973,1255 1.038,1256 1.964,1257 1.768,1258 1.727,1259 1.854,1260 1.919,1261 0.924,1262 1.909,1263 1.518,1264 1.439,1265 1.779,1266 1.781,1267 0.873,1268 1.784,1269 1.467,1270 1.408,1271 1.589,1272 1.696,1273 0.639,1274 1.666,1275 1.367,1276 1.363,1277 1.571,1278 1.508,1279 0.586,1280 1.529,1281 1.225,1282 1.195,1283 1.417,1284 1.503,1285 0.533,1286 1.488,1287 4.595,1289 5.938,1290 3.045,1291 7.467,1292 5.416,1293 9.087,1294 7.535,1295 10.758,1297 5.619,1299 28.43,1303 0.754,1305 5.893,1306 5.568,1309 2.078,1314 48.328,1315 124.599,1316 286.467,1317 364.314,1318 402.367,1319 404.367,1320 404.367,1321 92.591,1322 9.382,1323 96.68,1324 124.92,1325 34,1326 13.164,1327 5.129,1328 4.209,1329 65.956,1330 232,1331 244,1332 0.133,1333 295.607,1334 505.59,1335 713.04,1336 209956,1337 2.8,1338 30.794,1339 0.7,1340 0.564,1341 29.407,1342 24.823,1343 21.3,1344 0.435,1345 0.294,1346 13.366,1347 19.878,1348 12.926,1349 10.763,1350 20.933,1351 14.419,1352 19.566,1353 0.28,1354 0.158,1355 19.084,1356 11.032,1357 16.287,1358 0.171,1359 0.079,1360 16.076,1361 7.51,1362 14.798,1363 0.112,1364 0.042,1365 14.415,1366 5.586,1367 11.158,1368 0.069,1369 0.022,1370 11.57,1371 3.593,1372 0.21,1373 139.172,1374 0.175,1375 38.638,1376 0.361,1377 238,1378 825.445,1379 288.47,1380 770.211,1381 1045.43,1382 720,1383 284,1384 754.136,1385 330.716,1386 771.207,1387 1134.35,1388 721,1389 6.6}
{0 CHEMBL1997129,1 1.439,2 10.292,3 3.285,4 10.794,5 95.215,6 7.693,7 0.63,8 3.82,9 3.935,10 3.427,11 3.447,12 4.942,13 3.421,14 4.312,15 4.459,16 3.768,17 3.832,18 5.417,19 3.784,20 4.56,21 4.766,22 3.752,23 3.913,24 5.59,25 3.831,26 4.53,27 4.748,28 3.608,29 3.81,30 5.579,31 3.709,32 4.402,33 4.637,34 3.465,35 3.689,36 5.373,37 3.581,38 4.255,39 4.462,40 3.489,41 3.627,42 5.309,43 3.55,44 4.286,45 4.499,46 3.403,47 3.596,48 5.326,49 3.503,50 4.222,51 4.463,52 3.256,53 3.46,54 5.265,55 3.348,56 0.028,57 0.579,58 7.553,59 3.468,60 5.339,61 4.453,62 0.103,63 0.938,64 13.372,65 5.852,66 13.405,67 7.711,68 0.143,69 1.167,70 19.602,71 7.786,72 23.946,73 10.413,74 0.242,75 1.11,76 19.804,77 7.719,78 33.678,79 10.285,80 0.172,81 0.967,82 17.932,83 7.118,84 27.514,85 9.669,86 0.088,87 0.865,88 14.307,89 5.743,90 18.146,91 7.783,92 0.124,93 0.87,94 15.229,95 5.99,96 23.167,97 7.975,98 0.187,99 0.819,100 15.016,101 5.747,102 28.373,103 7.926,104 2,105 37,106 0.249,107 0.596,108 0.773,109 0.866,110 0.878,111 0.878,112 3.228,113 0.888,114 -3.79,115 -3.75,116 -3.57,119 48.8,121 1,125 1,135 2,142 8,143 3,145 1,146 1,152 2,158 1,172 11,175 4,178 1,180 6,183 13,188 3,193 3,196 13,200 2,203 1,204 1,208 9,213 4,216 1,218 2,221 8,225 5,230 3,233 7,238 2,243 1,246 8,249 1,250 1,253 1,255 3,258 7,264 1,269 3,272 6,276 812,277 16.654,278 16.654,279 16.654,280 16.654,281 16.654,282 14.451,283 7.745,284 10.012,285 16.812,286 13.376,287 13.376,288 13.376,289 13.376,290 13.376,291 9.942,292 6.909,293 4.81,294 13.608,295 3.919,296 1.922,297 0.896,298 0.36,299 0.293,300 0.293,301 3.932,304 1,305 1,306 1,307 549,308 2.345,311 46.979,312 217.107,315 93.429,319 1.708,320 15.464,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 50.5,332 247,333 4.494,334 3.616,335 6.557,336 4.119,337 3.134,338 4.187,339 1.058,340 10.403,341 3.085,342 4.129,343 2.964,344 6.068,345 3.743,346 2.754,347 3.712,349 8.784,350 2.721,351 3.937,352 2.652,353 5.403,354 3.527,355 2.529,356 3.491,358 7.115,359 2.525,360 3.646,361 2.509,362 5.238,363 3.245,364 2.272,365 2.995,367 6.63,368 2.204,369 3.298,370 2.226,371 5.016,372 2.917,373 1.925,374 2.499,376 5.642,377 1.899,378 3.007,379 1.697,380 4.273,381 2.546,382 1.56,383 2.189,385 3.96,386 1.538,387 2.826,388 1.507,389 4.014,390 2.463,391 1.478,392 1.95,394 3.255,395 1.454,396 2.639,397 1.339,398 3.635,399 2.262,400 1.295,401 1.677,403 3.092,404 1.249,405 2.5,406 1.216,407 3.48,408 2,409 1,410 1.5,412 2.483,413 1,414 2.426,415 1.011,416 3.247,417 1.957,418 1,419 1.392,421 2.136,422 0.954,423 2.302,424 1,425 3.247,426 1.61,427 0.621,428 0.977,430 1.587,431 0.609,432 2.054,433 0.6,434 3.08,435 1.591,436 0.6,437 0.852,439 1.401,440 0.594,441 1.032,442 0.285,443 2.551,444 0.709,445 -0.3,446 -0.365,448 -0.694,449 -0.298,450 0.93,451 -0.404,452 2.341,453 0.579,454 -0.409,455 -0.514,457 -0.989,458 -0.404,459 0.749,460 -0.54,461 2.297,462 0.301,463 -0.69,464 -0.941,466 -1.686,467 -0.682,468 11.533,469 0.481,470 0.465,471 0.019,472 34.25,473 1.427,474 19,475 0.792,476 15.25,477 0.635,478 15.349,479 0.64,480 23.867,481 0.582,482 23.132,483 0.964,484 6.939,485 0.289,486 4.854,487 0.202,488 0.029,490 0.303,496 0.768,497 1.076,498 0.755,499 0.883,500 0.583,501 0.821,502 0.698,503 1.161,504 0.895,505 1.037,506 0.578,507 0.993,508 1.039,509 1.047,510 1.016,511 1.018,512 0.916,513 1.009,514 1.12,515 0.988,516 1.104,517 1.049,518 1.299,519 1.075,520 0.945,521 0.89,522 0.94,523 0.91,524 1.032,525 0.928,526 0.862,527 1.073,528 0.929,529 0.999,530 0.682,531 0.968,532 1.163,533 1.067,534 1.073,535 1.049,536 1.182,537 1.051,538 0.825,539 0.958,540 0.99,541 0.998,542 0.846,543 1.011,544 4,545 0.094,546 2.222,547 1.069,548 1.237,549 0.497,550 0.225,551 0.293,552 0.121,553 0.078,554 7152,555 17738,556 2.187,557 41.5,559 12,561 1,562 2,563 2,567 1.666,568 2.118,569 3.355,570 0.214,571 1,572 1,574 1,577 58.979,578 1.439,579 3.435,580 4.461,581 4.998,582 5.065,583 5.065,584 2.772,585 4.252,586 4.557,587 3.518,588 970.86,589 7.846,590 11565,591 1,592 1,594 1,595 219.66,596 1.099,597 4.546,598 0.148,599 0.007,600 0.06,601 0.031,602 0.043,603 0.019,604 0.008,605 0.012,606 0.006,607 0.005,608 0.34,609 0.67,610 1,611 0.382,612 114.996,613 -0.058,614 -0.009,615 0.039,616 0.044,617 -0.051,618 0.053,619 0.082,620 -0.118,621 -0.048,622 -0.101,623 0.047,624 -0.092,625 -0.094,626 -0.045,627 -0.068,628 -0.059,629 -0.043,630 -0.057,631 0.018,632 -0.01,633 -0.118,634 -0.081,635 -0.102,636 -0.112,637 -0.006,638 0.059,639 0.058,640 0.085,641 -0.054,642 0.075,643 -0.033,644 -0.067,645 0.011,646 -0.038,647 0.042,648 -0.01,649 -0.12,650 -0.086,651 -0.102,652 -0.082,653 -0.103,654 -0.088,655 0.167,656 0.019,657 0.02,658 -0.023,659 0.111,660 -0.022,661 1.669,662 4.902,663 0.875,664 21.319,665 0.996,666 1.112,667 2.559,668 6.55,669 0.702,670 3.332,671 3.638,672 3.912,673 4.174,674 4.394,675 4.431,676 4.543,677 4.682,678 4.727,679 4.771,680 6.214,681 0.67,682 315.4,683 3.332,684 4.86,685 5.707,686 6.575,687 7.439,688 8.314,689 9.186,690 10.066,691 10.943,692 11.826,693 7.3,700 1,701 1,703 1,709 9,710 1,711 1,714 6,716 17,723 1,735 41,737 19,738 1,739 27,741 44,742 20,743 15,744 1,745 5,746 3,748 4,749 5,757 1,760 1,762 18,763 2,767 2,772 1,774 2,776 1,779 1,780 1,783 17,784 3,785 2,786 4,792 3,797 0.75,798 1,809 1,811 1,815 1,816 3,819 1,834 2,843 3,851 24,858 2,860 1,874 2.4,877 1,881 11.333,882 7.283,883 5.25,884 2.45,886 3.802,887 1.514,888 1.046,889 3.915,890 11.192,891 3.651,892 4.238,893 4.843,894 5.417,895 5.912,896 6.191,897 6.607,898 7.019,899 7.424,900 7.758,901 0.857,902 35,903 8.846,905 3.784,906 7.653,907 17.054,909 14.163,911 2.153,912 51.667,915 1,916 176.567,917 130.982,918 51.582,920 25.145,923 130.982,924 201.711,925 51.582,927 22.651,928 94.762,929 58.406,930 38.146,931 5.513,932 164.795,934 176.567,935 182.564,936 25.145,939 176.567,940 25.145,943 51.241,944 95.585,945 35.738,947 176.567,948 76.727,949 130.982,952 176.567,953 27.172,954 103.81,955 34.796,956 41.93,957 176.567,958 76.727,959 130.982,961 0.575,962 0.334,963 0.182,964 0.1,965 19,966 7,967 0.068,968 3,969 1,970 1.095,971 3.785,972 195.238,973 0.095,974 21,975 106.039,981 14.766,982 6.363,983 3.141,985 59.941,986 17.818,987 4.397,988 3.369,991 5.75,993 34.796,994 384.275,995 37.5,1000 11.902,1002 4.035,1004 -0.003,1007 40.818,1008 45.611,1009 0.269,1010 0.641,1011 0.833,1012 0.933,1013 0.945,1014 0.945,1015 4.862,1016 1.295,1017 5.666,1018 3.255,1019 4.317,1020 4.924,1021 1.176,1022 6.444,1023 4.285,1024 6.058,1025 1,1026 7.197,1027 3.092,1028 3.761,1029 4.543,1031 7.248,1032 3.73,1033 7.347,1034 1,1035 8.827,1036 2.483,1037 5.872,1038 7.089,1039 1.255,1040 10.356,1041 5.811,1042 8.675,1043 0.621,1044 10.519,1045 2.136,1046 6.176,1047 7.578,1049 12.03,1050 6.114,1051 10.035,1052 0.6,1053 12.251,1054 1.587,1055 7.712,1056 9.526,1057 1.338,1058 14.626,1059 7.624,1060 11.42,1061 -0.3,1062 14.011,1063 1.401,1064 8.429,1065 10.441,1067 16.664,1068 8.336,1069 12.823,1070 -0.409,1071 15.792,1072 -0.694,1073 9.719,1074 12.115,1075 1.422,1076 19.085,1077 9.605,1078 3.134,1079 -0.69,1080 17.589,1081 -0.989,1082 10.643,1083 13.256,1085 21.284,1086 10.518,1087 2.754,1088 10.403,1089 19.398,1090 -1.686,1091 11.828,1092 14.796,1093 1.51,1094 23.642,1095 11.684,1096 2.529,1097 8.784,1098 21.216,1099 4.187,1100 12.854,1101 16.06,1103 25.913,1104 12.696,1105 2.272,1106 7.115,1107 23.043,1108 3.712,1109 13.997,1110 17.534,1111 1.599,1112 28.252,1113 13.821,1114 1.925,1115 6.63,1116 24.877,1117 3.491,1118 15.074,1119 18.867,1121 30.556,1122 14.883,1123 1.56,1124 5.642,1125 26.717,1126 2.995,1127 16.203,1128 20.31,1129 1.69,1130 32.889,1131 15.995,1132 1.478,1133 3.96,1134 28.561,1135 2.499,1136 17.306,1137 21.68,1139 35.209,1140 17.081,1141 6649,1142 10582,1143 18.781,1144 28.801,1145 41.181,1146 41.511,1147 40.737,1148 40.316,1149 40.334,1150 54.842,1151 2.117,1152 112.976,1153 39.663,1154 5.437,1155 5.616,1156 6.359,1157 5.157,1158 5.134,1159 7.187,1160 2.117,1161 17.208,1162 5.085,1163 6.238,1164 1.525,1165 1.537,1166 1.509,1167 1.493,1168 1.494,1169 2.031,1170 0.078,1171 4.184,1172 1.469,1173 4.081,1174 4.118,1175 4.039,1176 3.978,1177 7.429,1178 3.988,1179 3.922,1180 3.953,1181 3.858,1182 3.858,1183 4.952,1184 3.854,1185 3.79,1186 3.829,1187 3.73,1188 3.684,1189 4.77,1190 3.691,1191 3.418,1192 3.489,1193 3.318,1194 3.268,1195 4.692,1196 3.264,1197 3.266,1198 3.322,1199 3.152,1200 3.13,1201 4.155,1202 3.126,1203 3.103,1204 3.138,1205 2.994,1206 2.838,1207 4.068,1208 2.882,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.676,1214 2.715,1215 2.805,1216 2.867,1217 2.667,1218 2.705,1219 3.674,1220 2.689,1221 0.166,1222 0.134,1223 0.243,1224 0.153,1225 0.116,1226 4.494,1227 0.155,1228 3.616,1229 0.039,1230 6.557,1231 0.385,1232 4.119,1233 0.114,1234 3.134,1235 4.187,1236 1.058,1237 10.403,1238 3.085,1239 1.945,1240 1.918,1241 2.053,1242 2.032,1243 1.185,1244 2.038,1245 1.849,1246 1.819,1247 1.949,1248 1.961,1249 1.125,1250 1.959,1251 1.773,1252 1.733,1253 1.923,1254 1.937,1255 1.032,1256 1.938,1257 1.436,1258 1.392,1259 1.581,1260 1.607,1261 0.66,1262 1.595,1263 1.256,1264 1.207,1265 1.447,1266 1.41,1267 0.533,1268 1.429,1269 1.06,1270 0.977,1271 1.297,1272 1.306,1273 0.411,1274 1.316,1275 0.886,1276 0.821,1277 1.181,1278 1.16,1279 0.218,1280 1.143,1281 0.854,1282 0.804,1283 1.106,1284 1.062,1285 0.174,1286 1.107,1287 4.007,1289 5.313,1290 2.398,1291 6.817,1292 4.727,1293 8.406,1294 6.862,1295 10.039,1303 1.528,1305 2.87,1314 27.467,1315 58.979,1316 140.851,1317 182.905,1318 204.905,1319 207.66,1320 207.66,1321 30.354,1322 7.39,1323 57.78,1324 57.78,1325 23,1326 12.361,1327 4.322,1328 3.524,1329 34.001,1330 89,1331 88,1332 0.185,1333 168.149,1334 287.81,1335 402.043,1336 16921,1338 16.355,1339 0.681,1340 0.547,1341 16.355,1342 13.121,1343 11.793,1344 0.437,1345 0.296,1346 7.924,1347 11.523,1348 7.766,1349 6.434,1350 11.793,1351 7.991,1352 10.438,1353 0.282,1354 0.157,1355 10.438,1356 5.795,1357 8.949,1358 0.183,1359 0.085,1360 8.949,1361 4.143,1362 7.502,1363 0.117,1364 0.045,1365 7.502,1366 2.902,1367 6.087,1368 0.076,1369 0.025,1370 6.087,1371 1.969,1372 0.292,1373 72.651,1374 0.231,1375 23.657,1376 0.499,1377 128,1378 332.046,1379 135.71,1380 331.664,1381 463.02,1382 312,1383 150,1384 347.045,1385 157.655,1386 355.781,1387 518.08,1388 337,1389 5.8}
{0 CHEMBL1997340,1 1.676,2 9.478,3 1.531,4 2.342,5 84.034,6 8.009,7 0.577,8 3.815,9 3.922,10 3.444,11 3.315,12 4.977,13 3.328,14 4.346,15 4.498,16 3.811,17 3.728,18 5.45,19 3.724,20 4.604,21 4.804,22 3.791,23 3.805,24 5.72,25 3.757,26 4.622,27 4.847,28 3.696,29 3.688,30 5.764,31 3.646,32 4.375,33 4.581,34 3.543,35 3.493,36 5.614,37 3.469,38 4.23,39 4.41,40 3.479,41 3.34,42 5.476,43 3.345,44 4.071,45 4.252,46 3.306,47 3.192,48 5.324,49 3.196,50 3.875,51 4.056,52 3.045,53 3.145,54 4.94,55 3.085,56 0.154,57 0.611,58 7.307,59 3.387,60 14.22,61 4.095,62 0.256,63 0.984,64 13.948,65 5.542,66 21.401,67 7.121,68 0.482,69 1.117,70 21.141,71 7.54,72 48.704,73 9.993,74 0.665,75 1.042,76 23.827,77 7.195,78 71.614,79 9.696,80 0.482,81 0.838,82 17.77,83 5.537,84 67.916,85 7.279,86 0.483,87 0.724,88 14.941,89 4.466,90 45.044,91 5.625,92 0.464,93 0.64,94 12.613,95 3.562,96 40.264,97 4.361,98 0.195,99 0.542,100 9.704,101 3.766,102 18.261,103 4.8,104 5,105 37,106 0.296,107 0.698,108 0.825,109 0.898,110 0.898,111 0.898,112 3.189,113 0.875,114 -2.38,115 -2.41,116 -2.37,119 41,121 2,125 2,127 1,142 4,143 2,145 1,146 1,152 2,158 1,166 1,168 1,172 5,174 1,175 5,180 3,183 5,187 2,188 8,191 1,193 3,196 4,199 2,200 7,205 1,208 2,213 6,216 1,221 1,224 1,225 7,228 2,230 2,233 1,237 1,238 5,241 2,246 1,255 1,258 3,263 2,267 2,269 2,272 4,276 642,277 15.74,278 15.74,279 15.74,280 15.74,281 15.74,282 14.005,283 8.524,284 9.168,285 15.961,286 12.837,287 12.837,288 12.837,289 12.837,290 12.837,291 10.127,292 8.387,293 4.36,294 13.186,295 3.609,296 1.337,297 0.615,298 0.205,299 0.205,300 0.205,301 3.886,304 1,305 1,306 1,307 486,308 2.55,311 112.953,312 132.934,315 92.46,319 1.588,320 26.428,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 51,332 218,333 4.48,334 3.7,335 6.446,336 4.063,337 3.077,338 4.393,339 1.2,340 9.954,341 3.035,342 4.304,343 3.009,344 6.268,345 3.916,346 2.939,347 3.936,348 0.293,349 9.45,350 2.867,351 3.956,352 2.746,353 5.993,354 3.638,355 2.663,356 3.308,358 8.542,359 2.594,360 3.508,361 2.651,362 5.35,363 3.317,364 2.346,365 2.69,367 6.776,368 2.266,369 3.17,370 2.085,371 4.841,372 2.85,373 1.897,374 2.302,376 5.375,377 1.803,378 3.034,379 1.939,380 4.425,381 2.517,382 1.534,383 2.285,385 4.284,386 1.507,387 2.737,388 1.534,389 4.259,390 2.394,391 1.414,392 1.804,394 3.826,395 1.378,396 2.531,397 1.282,398 3.592,399 2.167,400 1.188,401 1.536,403 2.643,404 1.16,405 2.302,406 1.239,407 3.449,408 2.018,409 1.043,410 1.236,412 2.383,413 1.014,414 2.171,415 1.008,416 3.4,417 1.728,418 0.739,419 1.051,421 1.825,422 0.726,423 2.041,424 0.689,425 3.255,426 1.586,427 0.556,428 0.79,430 1.418,431 0.568,432 1.883,433 0.392,434 3.024,435 1.357,436 0.382,437 0.571,439 0.955,440 0.372,441 0.793,442 0.042,443 2.539,444 0.503,445 -0.405,446 -0.407,448 -0.899,449 -0.362,450 0.607,451 -0.262,452 2.274,453 0.346,454 -0.65,455 -0.823,457 -1.772,458 -0.647,459 0.576,460 -0.647,461 2.094,462 0.204,463 -0.789,464 -0.919,466 -2.072,467 -0.783,468 10.6,469 0.461,470 0.554,471 0.024,472 29,473 1.261,474 13.5,475 0.587,476 15.5,477 0.674,478 17.115,479 0.744,480 24.8,481 0.636,482 20.06,483 0.872,484 5.709,485 0.248,486 5.494,487 0.239,488 0.063,490 0.368,496 0.725,497 1.162,498 0.712,499 1.009,500 0.68,501 0.886,502 0.822,503 1.234,504 0.834,505 1.073,506 0.669,507 0.966,508 0.909,509 1.031,510 0.973,511 1.085,512 0.91,513 1.057,514 1.176,515 0.902,516 0.984,517 0.88,518 1.376,519 0.889,520 1.212,521 0.982,522 0.982,523 0.938,524 1.263,525 0.91,526 1.452,527 1.035,528 1.073,529 0.946,530 1.252,531 0.94,532 1.539,533 0.859,534 1.225,535 0.848,536 1.392,537 0.938,538 1.048,539 1.137,540 1.117,541 1.186,542 0.992,543 1.183,544 4.5,545 0.065,546 2.889,547 1.382,548 1.126,549 0.632,550 0.388,551 0.209,552 0.162,553 0.123,554 6172,555 17190,556 2.168,557 41,559 9,561 1,562 2,564 4,567 1.654,568 2.06,569 3.268,570 0.364,571 1,572 1,574 1,577 65.376,578 1.676,579 3.949,580 4.67,581 5.08,582 5.08,583 5.08,584 2.697,585 4.056,586 4.498,587 3.41,588 862.847,589 7.726,590 9765.59,591 1,592 1,594 1,595 206.131,596 1.302,597 4.469,598 0.173,599 0.005,600 0.078,601 0.041,602 0.038,603 0.024,604 0.016,605 0.01,606 0.01,607 0.008,608 0.403,609 0.5,610 1,611 0.503,612 107.677,613 0.044,614 0.033,615 0.05,616 0.038,617 -0.033,618 0.037,619 -0.048,620 -0.11,621 -0.002,622 -0.061,623 -0.007,624 -0.023,625 0.005,626 -0.051,627 -0.025,628 -0.087,629 0.014,630 -0.07,631 -0.041,632 0.002,633 0.056,634 0.082,635 -0.101,636 0.092,637 -0.07,638 -0.043,639 0.027,640 0.027,641 -0.007,642 0.053,643 -0.093,644 -0.067,645 -0.063,646 -0.009,647 -0.068,648 -0.034,649 -0.161,650 0.165,651 -0.225,652 0.051,653 -0.135,654 -0.073,655 -0.163,656 -0.154,657 -0.207,658 -0.151,659 -0.096,660 -0.187,661 1.872,662 5.438,663 0.87,664 17.822,665 1.018,666 1.131,667 1.151,668 1.325,669 0.666,670 3.296,671 3.638,672 3.932,673 4.19,674 4.344,675 4.443,676 4.554,677 4.663,678 4.71,679 4.787,680 5.802,681 0.651,682 312.36,683 3.296,684 4.844,685 5.707,686 6.589,687 7.465,688 8.349,689 9.229,690 10.114,691 10.996,692 11.883,693 10.3,700 1,701 1,703 2,708 2,709 5,710 2,711 1,712 1,714 3,716 15,724 1,735 39,737 16,738 1,739 26,741 42,742 16,743 10,744 3,745 3,746 1,748 4,749 5,757 3,760 3,762 11,763 5,767 1,772 1,776 1,779 1,780 1,783 16,784 6,785 2,786 7,791 1,792 4,797 0.75,798 3,800 1,807 1,815 2,816 2,819 1,841 1,843 3,851 23,857 1,858 4,863 1,864 1,874 7.7,875 1,877 1,879 1,881 11.167,882 6.883,883 4.944,884 2.378,886 2.99,887 1.41,888 0.975,889 3.635,890 10.276,891 3.57,892 4.182,893 4.81,894 5.403,895 5.83,896 6.268,897 6.708,898 7.155,899 7.405,900 7.767,901 1,902 34,903 8.52,905 3.765,906 7.862,907 16.13,909 13.664,911 2.362,912 54.333,916 164.795,917 77.046,918 56.047,920 77.562,923 77.046,924 242.358,925 56.047,927 12.405,928 80.588,929 77.88,930 43.96,931 7.593,932 153.024,934 164.795,935 133.093,936 77.562,939 117.711,940 81.963,941 42.683,943 40.872,944 55.961,945 36.26,947 164.795,948 133.609,949 77.046,952 164.795,953 30.093,954 50.077,955 16.663,956 113.822,957 164.795,958 133.609,959 77.046,961 0.588,962 0.348,963 0.186,964 0.093,965 20,966 8,967 0.048,968 2,969 1,970 1.1,971 3.622,972 188.688,973 0.1,974 20,975 104.042,981 14.425,982 5.797,983 2.756,984 1.901,985 116.946,986 9.099,987 7.871,988 2.888,989 5.324,991 1.638,993 59.346,994 375.451,995 34.5,1000 12.438,1004 -0.205,1007 39.691,1008 44.113,1009 0.317,1010 0.747,1011 0.884,1012 0.961,1013 0.961,1014 0.961,1015 4.81,1016 1.188,1017 5.694,1018 3.826,1019 4.317,1020 4.868,1021 1.356,1022 6.506,1023 4.269,1024 6.013,1025 1.043,1026 7.253,1027 2.643,1028 3.892,1029 4.663,1030 0.325,1031 7.376,1032 3.817,1033 7.319,1034 0.739,1035 8.91,1036 2.383,1037 5.916,1038 7.087,1039 1.511,1040 10.469,1041 5.823,1042 8.664,1043 0.556,1044 10.624,1045 1.825,1046 6.33,1047 7.786,1048 0.653,1049 12.153,1050 6.217,1051 10.043,1052 0.382,1053 12.374,1054 1.418,1055 7.797,1056 9.633,1057 1.739,1058 14.735,1059 7.667,1060 11.446,1061 -0.405,1062 14.147,1063 0.955,1064 8.579,1065 10.737,1066 1.001,1067 16.742,1068 8.432,1069 12.866,1070 -0.65,1071 15.937,1072 -0.899,1073 9.827,1074 12.356,1075 1.993,1076 19.141,1077 9.663,1078 3.077,1079 -0.789,1080 17.739,1081 -1.772,1082 10.778,1083 13.649,1084 1.37,1085 21.289,1086 10.599,1087 2.939,1088 9.954,1089 19.55,1090 -2.072,1091 11.935,1092 15.174,1093 2.264,1094 23.614,1095 11.74,1096 2.663,1097 9.45,1098 21.368,1099 4.393,1100 12.965,1101 16.555,1102 1.754,1103 25.827,1104 12.755,1105 2.346,1106 8.542,1107 23.191,1108 3.936,1109 14.086,1110 18.042,1111 2.551,1112 28.123,1113 13.861,1114 1.897,1115 6.776,1116 25.018,1117 3.308,1118 15.153,1119 19.466,1120 2.143,1121 30.367,1122 14.913,1123 1.534,1124 5.375,1125 26.848,1126 2.69,1127 16.261,1128 20.938,1129 2.851,1130 32.651,1131 16.006,1132 1.414,1133 4.284,1134 28.681,1135 2.302,1136 17.347,1137 22.384,1138 2.535,1139 34.912,1140 17.077,1141 5743,1142 9716,1143 17.8,1144 25.955,1145 40.388,1146 40.433,1147 40.298,1148 39.653,1149 39.558,1150 51.804,1151 2.986,1152 114.861,1153 38.577,1154 5.48,1155 5.7,1156 5.999,1157 5.098,1158 5.077,1159 7.393,1160 2.293,1161 16.855,1162 5.035,1163 8.371,1164 1.553,1165 1.555,1166 1.55,1167 1.525,1168 1.521,1169 1.992,1170 0.115,1171 4.418,1172 1.484,1173 4.119,1174 4.154,1175 4.084,1176 4.013,1177 7.428,1178 4.025,1179 3.908,1180 3.951,1181 3.861,1182 3.724,1183 6.449,1184 3.746,1185 3.765,1186 3.801,1187 3.674,1188 3.585,1189 5.217,1190 3.602,1191 3.334,1192 3.384,1193 3.271,1194 3.147,1195 5.065,1196 3.17,1197 3.159,1198 3.224,1199 3.055,1200 2.945,1201 4.329,1202 2.935,1203 3.127,1204 3.19,1205 2.937,1206 2.902,1207 4.178,1208 2.918,1209 2.925,1210 2.993,1211 2.803,1212 2.756,1213 3.767,1214 2.764,1215 2.695,1216 2.735,1217 2.529,1218 2.396,1219 3.577,1220 2.421,1221 0.172,1222 0.142,1223 0.248,1224 0.156,1225 0.118,1226 4.48,1227 0.169,1228 3.7,1229 0.046,1230 6.446,1231 0.383,1232 4.063,1233 0.117,1234 3.077,1235 4.393,1236 1.2,1237 9.954,1238 3.035,1239 1.95,1240 1.931,1241 2.029,1242 2.027,1243 1.368,1244 2.029,1245 1.815,1246 1.761,1247 2.016,1248 2.011,1249 1.173,1250 2.013,1251 1.484,1252 1.461,1253 1.582,1254 1.66,1255 0.778,1256 1.628,1257 1.311,1258 1.231,1259 1.478,1260 1.631,1261 0.71,1262 1.585,1263 1.201,1264 1.187,1265 1.463,1266 1.465,1267 0.563,1268 1.427,1269 1.145,1270 1.071,1271 1.343,1272 1.4,1273 0.407,1274 1.405,1275 0.933,1276 0.848,1277 1.184,1278 1.238,1279 0.246,1280 1.232,1281 0.802,1282 0.734,1283 1.043,1284 1.074,1286 1.084,1287 3.97,1289 5.303,1290 3.045,1291 6.821,1292 5.283,1293 8.42,1294 7.286,1295 10.061,1302 9.692,1303 2.522,1308 -0.456,1309 1.62,1314 25.391,1315 65.376,1316 153.992,1317 182.131,1318 198.131,1319 198.131,1320 198.131,1321 38.042,1322 7.286,1323 95.25,1324 95.25,1325 22,1326 12.415,1327 4.087,1328 3.248,1329 31.98,1330 82,1331 65,1332 0.196,1333 153.348,1334 255.11,1335 365.93,1336 14158,1338 15.811,1339 0.687,1340 0.539,1341 15.811,1342 12.398,1343 11.204,1344 0.431,1345 0.292,1346 7.45,1347 10.646,1348 7.357,1349 6.037,1350 11.204,1351 7.581,1352 10.248,1353 0.277,1354 0.157,1355 10.248,1356 5.796,1357 8.975,1358 0.179,1359 0.083,1360 8.975,1361 4.138,1362 7.469,1363 0.115,1364 0.045,1365 7.469,1366 2.909,1367 5.566,1368 0.073,1369 0.025,1370 5.566,1371 1.875,1372 0.307,1373 71.267,1374 0.237,1375 22.606,1376 0.539,1377 126,1378 398.889,1379 141.105,1380 379.204,1381 518.01,1382 354,1383 150,1384 390.848,1385 166.854,1386 388.033,1387 566.2,1388 365,1389 5.1}
{0 CHEMBL1997349,1 1.746,2 11.576,3 5.971,4 35.655,5 125.911,6 9.924,7 0.568,8 4.015,9 4.101,10 3.822,11 3.661,12 5.292,13 3.661,14 4.496,15 4.615,16 4.271,17 4.068,18 5.731,19 4.061,20 4.724,21 4.847,22 4.491,23 4.218,24 6.072,25 4.21,26 4.83,27 4.977,28 4.359,29 4.216,30 6.192,31 4.2,32 4.82,33 4.976,34 4.301,35 4.168,36 6.189,37 4.158,38 4.789,39 4.926,40 4.366,41 4.175,42 6.297,43 4.144,44 4.811,45 4.995,46 4.177,47 4.104,48 6.1,49 4.04,50 4.719,51 4.937,52 4.041,53 3.979,54 6.01,55 3.894,56 0.136,57 0.682,58 4.436,59 3.469,60 12.772,61 3.602,62 0.289,63 1.107,64 10.264,65 6.042,66 20.69,67 6.839,68 0.457,69 1.356,70 19.828,71 7.613,72 42.683,73 7.602,74 0.597,75 1.526,76 19.672,77 8.484,78 53.408,79 8.298,80 0.681,81 1.444,82 20.964,83 8.907,84 96.944,85 8.461,86 0.72,87 1.385,88 16.502,89 8.781,90 99.873,91 9.546,92 0.674,93 1.43,94 22.871,95 9.565,96 88.395,97 9.851,98 0.59,99 1.304,100 29.824,101 10.038,102 81.641,103 12.638,104 51,105 56,106 0.287,107 0.696,108 0.778,109 0.873,110 0.886,111 0.886,112 3.533,113 0.865,114 -5.1,115 -5,116 -4.68,119 50,120 2,135 1,136 3,142 7,143 1,144 3,146 2,152 1,153 1,158 2,161 1,166 1,172 9,174 2,175 12,178 1,180 1,183 11,188 16,191 1,193 1,196 10,199 3,200 16,205 4,208 9,213 8,218 2,221 13,224 5,225 12,228 2,230 3,233 15,238 2,243 1,246 11,249 4,250 8,253 2,255 1,258 10,264 6,269 2,272 6,276 1778,277 22.077,278 22.077,279 22.077,280 22.077,281 22.077,282 18.862,283 21.636,284 12.347,285 22.582,286 18.102,287 18.102,288 18.102,289 18.102,290 18.102,291 13.105,292 23.787,293 5.702,294 19.097,295 3.839,296 1.358,297 0.858,298 0.281,299 0.198,300 0.198,301 4.233,302 2,306 1,307 842,308 3.082,311 136.377,312 254.615,315 224.095,319 1.649,320 44.133,323 1,324 0.83,325 1,326 0.4,328 1,329 1,330 0.75,331 71.167,332 382,333 4.818,334 4.099,335 7.153,336 4.386,337 3.421,338 4.686,339 2.035,340 12.48,341 3.306,342 4.59,343 3.749,344 6.781,345 4.164,346 3.214,347 4.347,348 0.98,349 11.062,350 3.054,351 4.302,352 3.399,353 6.415,354 3.821,355 2.849,356 3.92,358 9.753,359 2.774,360 4.174,361 3.253,362 6.078,363 3.689,364 2.768,365 3.799,367 8.676,368 2.546,369 3.884,370 2.982,371 5.972,372 3.419,373 2.439,374 3.186,376 8.19,377 2.383,378 3.644,379 2.825,380 5.755,381 3.229,382 2.294,383 2.994,385 7.481,386 2.046,387 3.485,388 2.572,389 5.584,390 3.041,391 2.074,392 2.822,394 6.858,395 1.978,396 3.236,397 2.181,398 4.872,399 2.623,400 1.695,401 2.318,403 4.854,404 1.56,405 3.033,406 2.144,407 4.654,408 2.516,409 1.548,410 2.2,412 4.468,413 1.493,414 3.011,415 2.026,416 4.42,417 2.331,418 1.414,419 1.956,421 3.968,422 1.326,423 2.828,424 1.692,425 4.04,426 2.313,427 1.333,428 1.948,430 3.507,431 1.265,432 2.819,433 1.549,434 3.97,435 2.282,436 1.319,437 1.822,439 2.964,440 1.191,441 2.748,442 1.384,443 3.699,444 1.926,445 0.955,446 1.527,448 2.301,449 0.92,450 2.344,451 1.177,452 3.572,453 1.663,454 0.692,455 1.006,457 1.671,458 0.666,459 1.948,460 0.92,461 3.258,462 1.376,463 0.399,464 0.578,466 1.016,467 0.382,468 16.095,469 0.488,470 1.032,471 0.031,472 47.75,473 1.447,474 26,475 0.788,476 21.75,477 0.659,478 28.483,479 0.863,480 32.505,481 0.677,482 39.714,483 1.203,484 9.351,485 0.283,486 6.461,487 0.196,488 0.217,490 0.454,496 0.695,497 1.092,498 0.506,499 0.777,500 0.636,501 0.728,502 0.566,503 1.131,504 0.51,505 0.773,506 0.516,507 0.713,508 0.983,509 1.184,510 0.771,511 0.927,512 0.784,513 0.858,514 1.137,515 1.044,516 0.91,517 1.028,518 1.084,519 1.029,520 1.385,521 0.917,522 0.765,523 0.843,524 1.646,525 0.877,526 0.74,527 1.067,528 0.712,529 1.098,530 0.993,531 1.118,532 1.207,533 1.058,534 0.932,535 1.009,536 1.31,537 1.115,538 0.699,539 0.905,540 0.987,541 1.055,542 0.725,543 1.036,544 6.5,545 0.238,546 5.111,547 3.868,548 2.912,549 1.775,550 1.08,551 0.801,552 0.442,553 0.321,554 14386,555 49896,556 2.076,557 31.3,558 3,559 8,562 1,563 3,567 1.756,568 1.886,569 3.447,570 -0.322,577 83.826,578 1.746,579 4.227,580 4.727,581 5.304,582 5.387,583 5.387,584 2.893,585 4.802,586 5.017,587 3.616,588 1909.14,589 8.808,590 27015,595 268.078,596 1.52,597 4.948,598 0.176,599 0.008,600 0.091,601 0.061,602 0.049,603 0.032,604 0.02,605 0.018,606 0.011,607 0.01,608 0.476,609 0.33,610 0.75,611 0.78,612 171.807,613 -0.038,614 -0.058,615 0.004,616 0.007,617 -0.073,618 0.015,619 0.127,620 -0.094,621 0.128,622 0.067,623 0.031,624 0.116,625 -0.058,626 -0.141,627 0.054,628 -0.052,629 0.009,630 -0.025,631 -0.132,632 0.014,633 -0.164,634 -0.143,635 -0.064,636 -0.161,637 -0.232,638 0.092,639 -0.054,640 0.086,641 -0.246,642 0.043,643 0.305,644 -0.096,645 0.019,646 -0.174,647 0.224,648 -0.204,649 -0.171,650 -0.075,651 -0.068,652 -0.02,653 -0.167,654 -0.098,655 0.18,656 0.039,657 0.075,658 0.016,659 0.181,660 0.117,661 2.003,662 6.52,663 0.727,664 29.928,665 1.023,666 1.11,667 3.873,668 14.997,669 0.755,670 3.638,671 4.043,672 4.419,673 4.745,674 5.017,675 5.193,676 5.347,677 5.529,678 5.609,679 5.694,680 6.667,681 0.737,682 476.34,683 3.638,684 5.231,685 6.138,686 7.064,687 7.989,688 8.921,689 9.851,690 10.787,691 11.72,692 12.658,693 10.4,701 2,702 1,703 2,708 2,709 7,710 2,714 7,715 2,716 21,732 1,734 2,735 48,737 25,738 2,739 37,741 52,742 24,743 16,744 5,745 7,746 5,748 5,749 8,750 2,754 2,761 1,762 21,763 2,767 3,772 1,774 1,776 4,783 15,784 5,785 1,786 9,787 2,789 1,792 5,797 0.6,798 2,807 1,815 2,816 3,819 2,825 1,834 1,835 3,843 3,847 2,848 2,851 33,857 1,866 1,870 1,872 1,873 2,874 4.2,876 1,877 1,881 17.5,882 9.819,883 7.111,884 2.827,886 5.186,887 1.61,888 1.013,889 5.139,890 13.688,891 3.98,892 4.673,893 5.383,894 6.046,895 6.615,896 7.087,897 7.568,898 8.064,899 8.433,900 8.851,901 0.875,902 63,903 12.198,905 5.465,906 7.966,907 22.523,909 18.887,911 2.466,912 81.389,916 164.795,917 146.64,918 68.184,919 78.297,920 67.828,923 146.64,924 310.921,925 68.184,926 17.65,928 75.81,929 124.911,930 62.136,931 2.144,932 164.795,933 78.297,934 164.795,935 214.824,936 67.828,937 78.297,939 164.795,940 67.828,943 59.614,944 112.285,945 121.222,947 164.795,948 136.012,949 224.937,952 164.795,953 36.578,954 97.136,955 16.602,956 210.633,957 164.795,958 136.012,959 224.937,961 0.601,962 0.381,963 0.21,964 0.116,965 30,966 15,967 0.038,968 2,969 2,970 1.167,971 4.139,972 336.193,973 0.167,974 24,975 166.465,981 21.48,982 7.894,983 3.286,984 1.227,985 132.336,986 12.067,987 8.886,991 2.204,992 2.752,993 42.683,994 525.745,995 52.5,1000 13.52,1002 1.554,1004 0.711,1007 49.113,1008 53.29,1009 0.313,1010 0.757,1011 0.846,1012 0.95,1013 0.965,1014 0.965,1015 5.264,1016 1.695,1017 6.172,1018 6.858,1019 4.727,1020 5.361,1021 2.416,1022 7.089,1023 4.628,1024 6.541,1025 1.548,1026 7.805,1027 4.854,1028 4.511,1029 5.352,1031 8.176,1032 4.335,1033 7.9,1034 1.414,1035 9.536,1036 4.468,1037 6.431,1038 7.697,1039 3.614,1040 11.343,1041 6.251,1042 9.297,1043 1.333,1044 11.323,1045 3.968,1046 7.022,1047 8.51,1049 13.235,1050 6.775,1051 10.724,1052 1.319,1053 13.143,1054 3.507,1055 8.452,1056 10.336,1057 4.975,1058 15.943,1059 8.193,1060 12.173,1061 0.955,1062 14.986,1063 2.964,1064 9.388,1065 11.524,1067 18.171,1068 9.075,1069 13.641,1070 0.692,1071 16.847,1072 2.301,1073 10.651,1074 13.15,1075 6.381,1076 20.73,1077 10.316,1078 3.421,1079 0.399,1080 18.721,1081 1.671,1082 11.735,1083 14.512,1085 23.107,1086 11.355,1087 3.214,1088 12.48,1089 20.605,1090 1.016,1091 12.945,1092 16.063,1093 7.798,1094 25.62,1095 12.537,1096 2.849,1097 11.062,1098 22.498,1099 4.686,1100 14.093,1101 17.506,1103 28.065,1104 13.645,1105 2.768,1106 9.753,1107 24.399,1108 4.347,1109 15.29,1110 19.03,1111 9.218,1112 30.566,1113 14.811,1114 2.439,1115 8.676,1116 26.306,1117 3.92,1118 16.468,1119 20.512,1121 33.043,1122 15.952,1123 2.294,1124 8.19,1125 28.219,1126 3.799,1127 17.665,1128 22.03,1129 10.638,1130 35.545,1131 17.116,1132 2.074,1133 7.481,1134 30.137,1135 3.186,1136 18.858,1137 23.532,1139 38.038,1140 18.274,1141 13535,1142 25381,1143 24.104,1144 36.222,1145 59.314,1146 62.494,1147 61.632,1148 57.321,1149 57.069,1150 78.523,1151 6.029,1152 179.034,1153 53.94,1154 5.676,1155 6.099,1156 6.833,1157 5.437,1158 5.421,1159 7.686,1160 4.069,1161 20.48,1162 5.306,1163 19.673,1164 1.603,1165 1.689,1166 1.666,1167 1.549,1168 1.542,1169 2.122,1170 0.163,1171 4.839,1172 1.458,1173 4.172,1174 4.205,1175 4.171,1176 4.053,1177 7.428,1178 4.073,1179 4.025,1180 4.062,1181 4.115,1182 3.911,1183 6.82,1184 3.921,1185 3.808,1186 3.826,1187 3.901,1188 3.757,1189 6.471,1190 3.753,1191 3.694,1192 3.724,1193 3.678,1194 3.596,1195 5.061,1196 3.605,1197 3.305,1198 3.352,1199 3.401,1200 3.118,1201 5.001,1202 3.149,1203 3.242,1204 3.289,1205 3.301,1206 3.097,1207 4.793,1208 3.107,1209 3.115,1210 3.196,1211 3.233,1212 2.928,1213 4.49,1214 2.917,1215 3.009,1216 3.093,1217 3.135,1218 2.801,1219 4.418,1220 2.804,1221 0.13,1222 0.111,1223 0.193,1224 0.119,1225 0.092,1226 4.818,1227 0.127,1228 4.099,1229 0.055,1230 7.153,1231 0.337,1232 4.386,1233 0.089,1234 3.421,1235 4.686,1236 2.035,1237 12.48,1238 3.306,1239 1.946,1240 1.923,1241 2.022,1242 2.058,1243 1.166,1244 2.043,1245 1.888,1246 1.869,1247 1.947,1248 1.985,1249 1.081,1250 1.98,1251 1.854,1252 1.831,1253 1.929,1254 1.945,1255 1.057,1256 1.945,1257 1.577,1258 1.545,1259 1.746,1260 1.714,1261 0.86,1262 1.723,1263 1.306,1264 1.249,1265 1.5,1266 1.564,1267 0.567,1268 1.526,1269 1.228,1270 1.168,1271 1.416,1272 1.477,1273 0.497,1274 1.48,1275 1.127,1276 1.088,1277 1.205,1278 1.333,1279 0.259,1280 1.306,1281 0.956,1282 0.883,1283 1.156,1284 1.194,1285 0.197,1286 1.193,1287 4.317,1289 5.7,1290 3.045,1291 7.283,1292 5.533,1293 8.957,1294 7.735,1295 10.681,1297 3.413,1298 12.113,1302 10.945,1312 9.825,1313 2.172,1314 35.352,1315 83.826,1316 202.917,1317 226.917,1318 254.568,1319 258.568,1320 258.568,1321 70.649,1322 8.502,1323 96.21,1324 96.21,1325 28,1326 13.156,1327 4.7,1328 4.044,1329 47.705,1330 132,1331 144,1332 0.178,1333 221.666,1334 384.4,1335 532.625,1336 61179,1337 4.2,1338 23.438,1339 0.71,1340 0.575,1341 24.438,1342 18.978,1343 15.812,1344 0.427,1345 0.288,1346 9.861,1347 14.777,1348 9.513,1349 7.849,1350 16.389,1351 10.667,1352 14.803,1353 0.264,1354 0.15,1355 15.544,1356 8.382,1357 13.7,1358 0.167,1359 0.078,1360 14.615,1361 6.365,1362 11.691,1363 0.103,1364 0.037,1365 12.077,1366 4.216,1367 9.502,1368 0.063,1369 0.019,1370 9.891,1371 2.893,1372 0.274,1373 104.584,1374 0.204,1375 30.04,1376 0.504,1377 186,1378 576.518,1379 232.153,1380 628.34,1381 847.92,1382 582,1383 231,1384 597.713,1385 275.731,1386 625.421,1387 929.32,1388 589,1389 5.1}
{0 CHEMBL1997503,1 1.657,2 14.581,3 4.89,4 23.908,5 116.864,6 8.035,7 0.5,8 4.116,9 4.217,10 3.739,11 3.656,12 5.253,13 3.642,14 4.654,15 4.803,16 4.133,17 4.055,18 5.81,19 4.019,20 4.94,21 5.14,22 4.16,23 4.147,24 5.987,25 4.079,26 4.941,27 5.167,28 4.102,29 4.087,30 6.003,31 4.021,32 4.804,33 4.997,34 4.066,35 4.053,36 5.93,37 3.968,38 4.745,39 4.961,40 3.858,41 3.978,42 5.767,43 3.849,44 4.566,45 4.8,46 3.718,47 3.786,48 5.571,49 3.695,50 4.455,51 4.635,52 3.775,53 3.703,54 5.639,55 3.659,56 0.132,57 0.763,58 10.353,59 5.153,60 14.33,61 6.285,62 0.334,63 1.242,64 20.447,65 8.868,66 50.333,67 11.304,68 0.595,69 1.508,70 33.581,71 11.314,72 61.46,73 14.572,74 0.649,75 1.47,76 35.297,77 10.878,78 80.563,79 14.235,80 0.634,81 1.294,82 30.966,83 9.926,84 68.742,85 12.794,86 0.609,87 1.187,88 33.265,89 10.537,90 54.358,91 13.896,92 0.352,93 1.043,94 22.276,95 8.484,96 34.377,97 11.633,98 0.281,99 0.949,100 18.727,101 6.749,102 39.287,103 8.553,104 31,105 48,106 0.273,107 0.632,108 0.774,109 0.849,110 0.857,111 0.857,112 3.471,113 0.941,114 -5.79,115 -5.65,116 -5.27,119 41.8,120 2,121 3,122 1,127 2,142 7,143 2,144 3,149 1,158 1,161 1,166 1,167 1,170 1,172 10,173 1,174 2,175 8,178 1,180 5,183 11,184 2,188 15,193 6,196 5,197 1,200 12,205 2,206 1,208 8,213 5,216 1,217 1,221 18,224 2,225 1,228 2,233 15,234 2,237 1,238 2,241 1,243 2,246 9,247 2,250 11,255 3,258 4,259 1,264 11,269 3,272 2,276 1729,277 20.618,278 20.618,279 20.618,280 20.618,281 20.618,282 18.468,283 20.677,284 12.012,285 21.035,286 16.787,287 16.787,288 16.787,289 16.787,290 16.787,291 13.536,292 31.167,293 5.732,294 17.536,295 4.124,296 1.939,297 1.08,298 0.623,299 0.573,300 0.573,301 4.163,302 1,305 1,306 1,307 969,308 3.536,311 198.735,312 223.886,319 2.497,320 34.003,323 0.75,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.84,331 67.833,332 452,333 4.41,334 3.729,335 6.321,336 3.998,337 3.037,338 4.111,339 2.341,340 9.674,341 2.925,342 4.217,343 3.307,344 6.113,345 3.866,346 2.884,347 3.849,348 0.86,349 8.944,350 2.837,351 3.997,352 2.987,353 6.007,354 3.792,355 2.834,356 3.487,357 0.4,358 8.619,359 2.715,360 3.915,361 2.834,362 5.892,363 3.543,364 2.595,365 3.096,367 8.19,368 2.427,369 3.688,370 2.65,371 5.492,372 3.381,373 2.415,374 3.01,376 7.302,377 2.303,378 3.3,379 2.509,380 4.981,381 3.051,382 2.093,383 2.471,385 5.814,386 2.017,387 3.164,388 2.301,389 4.713,390 2.969,391 2.02,392 2.252,394 5.195,395 1.876,396 3.028,397 1.801,398 4.525,399 2.608,400 1.635,401 2.135,403 4.574,404 1.582,405 2.779,406 1.752,407 4.064,408 2.314,409 1.394,410 1.872,412 3.516,413 1.218,414 2.507,415 1.605,416 3.98,417 2.124,418 1.138,419 1.504,421 3.05,422 1.108,423 2.5,424 1.085,425 3.667,426 2,427 1.017,428 1.5,430 2.639,431 1,432 2.318,433 1,434 3.414,435 1.988,436 1,437 1.232,439 2.275,440 0.982,441 2.167,442 0.761,443 3.272,444 1.662,445 0.681,446 1.006,448 1.661,449 0.66,450 1.695,451 0.694,452 3.253,453 1.636,454 0.659,455 0.673,457 1.607,458 0.648,459 1.427,460 0.569,461 2.859,462 1.068,463 0.195,464 0.231,466 0.474,467 0.156,468 14.748,469 0.476,470 0.873,471 0.028,472 38.5,473 1.242,474 18.5,475 0.597,476 20,477 0.645,478 27.944,479 0.901,480 33.852,481 0.615,482 28.62,483 0.923,484 7.203,485 0.232,486 7.682,487 0.248,488 0.161,490 0.373,496 0.741,497 1.193,498 0.649,499 0.998,500 0.714,501 0.917,502 0.646,503 1.22,504 0.677,505 1.054,506 0.419,507 0.98,508 1.06,509 1.14,510 0.923,511 1.021,512 0.862,513 1.004,514 1.222,515 0.926,516 0.897,517 0.777,518 1.275,519 0.803,520 1.043,521 1.006,522 1.144,523 1.015,524 1.057,525 1.048,526 0.694,527 0.892,528 1.356,529 1.179,530 0.739,531 1.148,532 0.491,533 0.967,534 0.572,535 0.911,536 0.516,537 0.876,538 1.138,539 1.286,540 0.858,541 1.058,542 1.243,543 1.015,544 7.5,545 0.178,546 3.556,547 1.66,548 1.866,549 0.997,550 0.62,551 0.418,552 0.3,553 0.252,554 14844,555 43348,556 2.065,557 43.6,558 2,559 9,562 2,563 1,564 10,567 1.729,568 1.918,569 3.808,570 0.225,577 91.139,578 1.657,579 3.842,580 4.701,581 5.158,582 5.208,583 5.208,584 3.268,585 4.518,586 4.921,587 4.008,588 1863.5,589 8.558,590 28223,592 1,595 317.975,596 1.462,597 4.877,598 0.221,599 0.008,600 0.074,601 0.037,602 0.043,603 0.026,604 0.019,605 0.013,606 0.01,607 0.009,608 0.46,609 0.17,610 0.88,611 0.999,612 165.457,613 0.007,614 -0.018,615 0.025,616 0.013,617 -0.054,618 0.027,619 0.141,620 -0.121,621 0.083,622 -0.061,623 0.231,624 -0.017,625 -0.079,626 -0.132,627 -0.002,628 -0.053,629 -0.038,630 -0.038,631 -0.168,632 0.065,633 0.066,634 0.167,635 -0.158,636 0.158,637 -0.049,638 0.012,639 -0.078,640 -0.02,641 -0.085,642 -0.079,643 0.126,644 0.063,645 -0.143,646 -0.13,647 -0.022,648 -0.114,649 0.196,650 -0.001,651 0.217,652 0.07,653 0.143,654 0.15,655 -0.129,656 -0.24,657 0.005,658 -0.103,659 -0.097,660 -0.073,661 2.379,662 4.118,663 0.71,664 40.318,665 1.012,666 1.124,667 4.56,668 20.795,669 0.674,670 3.555,671 3.892,672 4.127,673 4.369,674 4.543,675 4.635,676 4.762,677 4.89,678 4.997,679 5.124,680 8.433,681 0.646,682 441.95,683 3.555,684 5.106,685 5.948,686 6.823,687 7.683,688 8.558,689 9.425,690 10.301,691 11.171,692 12.047,693 5.5,698 1,703 2,709 7,710 2,712 1,714 7,716 17,728 1,733 1,734 1,735 55,737 18,738 2,739 34,741 58,742 23,743 14,744 5,745 7,748 4,749 4,750 1,754 2,757 4,758 1,760 5,762 15,763 8,764 1,767 1,772 1,776 1,783 24,784 7,785 2,786 8,787 1,792 3,797 1,798 4,815 2,816 2,831 1,841 1,843 4,847 2,848 1,851 31,857 1,858 3,860 1,861 1,863 3,873 1,874 7.3,876 1,877 1,879 2,881 16.167,882 10.326,883 6.694,884 3.45,886 3.295,887 1.415,888 0.947,889 6.608,890 11.234,891 3.795,892 4.373,893 4.901,894 5.452,895 5.938,896 6.273,897 6.694,898 7.107,899 7.509,900 7.857,901 0.9,902 45,903 11.454,905 4.923,906 7.837,907 21.744,909 18.042,911 2.337,912 72.444,915 1,916 258.964,917 117.717,918 54.393,919 39.149,920 88.562,923 117.717,924 386.675,925 54.393,926 17.65,927 7.604,928 66.334,929 128.151,930 40.934,932 258.964,933 39.149,934 258.964,935 172.11,936 88.562,937 39.149,939 143.581,940 206.273,943 30.274,944 85.116,945 93.542,947 258.964,948 142.955,949 156.866,952 258.964,953 33.733,954 83.984,955 18.011,956 164.093,957 258.964,958 142.955,959 156.866,961 0.589,962 0.33,963 0.172,964 0.093,965 23,966 11,967 0.121,968 7,970 1,971 4.343,972 269.577,974 22,975 147.58,981 21.815,982 9.39,983 5.266,985 142.955,986 13.062,987 8.55,989 5.432,991 4.433,993 60.694,994 558.786,995 43.5,1000 11.118,1004 -0.713,1007 55.658,1008 61.844,1009 0.287,1010 0.665,1011 0.813,1012 0.892,1013 0.901,1014 0.901,1015 5.045,1016 1.635,1017 5.943,1018 5.195,1019 4.575,1020 5.059,1021 2.43,1022 6.732,1023 4.492,1024 6.243,1025 1.394,1026 7.493,1027 4.574,1028 4.205,1029 4.832,1030 2.243,1031 7.567,1032 4.057,1033 7.539,1034 1.138,1035 9.135,1036 3.516,1037 6.159,1038 7.183,1039 3.658,1040 10.611,1041 6.004,1042 8.866,1043 1.017,1044 10.829,1045 3.05,1046 6.567,1047 7.752,1048 4.112,1049 12.227,1050 6.353,1051 10.222,1052 1,1053 12.555,1054 2.639,1055 8.003,1056 9.591,1057 5.206,1058 14.768,1059 7.781,1060 11.597,1061 0.681,1062 14.303,1063 2.275,1064 8.755,1065 10.535,1066 5.889,1067 16.71,1068 8.48,1069 12.988,1070 0.659,1071 16.067,1072 1.661,1073 9.983,1074 12.152,1075 6.849,1076 19.063,1077 9.695,1078 3.037,1079 0.195,1080 17.841,1081 1.607,1082 10.901,1083 13.293,1084 7.625,1085 21.154,1086 10.567,1087 2.884,1088 9.674,1089 19.623,1090 0.474,1091 12.039,1092 14.799,1093 8.526,1094 23.431,1095 11.687,1096 2.834,1097 8.944,1098 21.412,1099 4.111,1100 13.038,1101 16.05,1102 9.342,1103 25.593,1104 12.645,1105 2.595,1106 8.619,1107 23.206,1108 3.849,1109 14.139,1110 17.5,1111 10.216,1112 27.842,1113 13.723,1114 2.415,1115 8.19,1116 25.004,1117 3.487,1118 15.178,1119 18.813,1120 11.051,1121 30.04,1122 14.726,1123 2.093,1124 7.302,1125 26.806,1126 3.096,1127 16.266,1128 20.235,1129 11.912,1130 32.279,1131 15.786,1132 2.02,1133 5.814,1134 28.61,1135 3.01,1136 17.326,1137 21.583,1138 12.755,1139 34.497,1140 16.812,1141 14205,1142 24443,1143 22.482,1144 37.068,1145 51.842,1146 52.477,1147 52.401,1148 51.324,1149 51.196,1150 64.855,1151 7.202,1152 147.071,1153 48.907,1154 5.336,1155 5.729,1156 5.735,1157 5.043,1158 5.037,1159 7.111,1160 3.925,1161 16.232,1162 4.925,1163 17.461,1164 1.525,1165 1.543,1166 1.541,1167 1.51,1168 1.506,1169 1.907,1170 0.212,1171 4.326,1172 1.438,1173 4.038,1174 4.066,1175 4.059,1176 3.93,1177 7.474,1178 3.938,1179 3.924,1180 3.958,1181 3.916,1182 3.839,1183 6.351,1184 3.837,1185 3.848,1186 3.874,1187 3.785,1188 3.749,1189 5.302,1190 3.745,1191 3.642,1192 3.685,1193 3.622,1194 3.434,1195 4.961,1196 3.449,1197 3.53,1198 3.578,1199 3.428,1200 3.32,1201 4.719,1202 3.349,1203 3.296,1204 3.308,1205 3.265,1206 3.02,1207 4.497,1208 3.061,1209 2.991,1210 3.066,1211 3.205,1212 2.825,1213 4.274,1214 2.827,1215 2.879,1216 3.009,1217 2.863,1218 2.783,1219 4.248,1220 2.762,1221 0.13,1222 0.11,1223 0.186,1224 0.118,1225 0.089,1226 4.41,1227 0.121,1228 3.729,1229 0.069,1230 6.321,1231 0.285,1232 3.998,1233 0.086,1234 3.037,1235 4.111,1236 2.341,1237 9.674,1238 2.925,1239 1.916,1240 1.892,1241 2.015,1242 2.014,1243 1.229,1244 2.016,1245 1.885,1246 1.868,1247 1.966,1248 1.979,1249 1.217,1250 1.979,1251 1.641,1252 1.604,1253 1.86,1254 1.822,1255 1.106,1256 1.825,1257 1.585,1258 1.523,1259 1.85,1260 1.784,1261 1.064,1262 1.812,1263 1.576,1264 1.515,1265 1.805,1266 1.753,1267 1.021,1268 1.773,1269 1.179,1270 1.144,1271 1.417,1272 1.421,1273 0.469,1274 1.348,1275 1.065,1276 1.048,1277 1.25,1278 1.362,1279 0.329,1280 1.308,1281 0.934,1282 0.824,1283 1.181,1284 1.253,1285 0.219,1286 1.302,1287 4.234,1289 5.565,1290 3.045,1291 7.062,1292 5.283,1293 8.636,1294 7.286,1295 10.251,1297 3.883,1298 6.31,1302 9.142,1303 2.216,1305 3.404,1306 5.655,1308 -0.049,1314 35.546,1315 91.139,1316 211.314,1317 258.549,1318 283.71,1319 286.465,1320 286.465,1321 61.724,1322 7.939,1323 97.48,1324 97.48,1325 22,1326 12.587,1327 4.248,1328 3.392,1329 49.895,1330 157,1331 144,1332 0.154,1333 220.175,1334 383.93,1335 528.987,1336 33845,1337 1.8,1338 21.957,1339 0.708,1340 0.584,1341 22.457,1342 18.095,1343 14.885,1344 0.438,1345 0.314,1346 10.187,1347 14.008,1348 9.903,1349 8.197,1350 15.174,1351 10.666,1352 13.973,1353 0.291,1354 0.175,1355 14.344,1356 8.409,1357 11.091,1358 0.182,1359 0.091,1360 11.445,1361 5.559,1362 9.093,1363 0.117,1364 0.051,1365 9.396,1366 3.954,1367 7.067,1368 0.076,1369 0.027,1370 7.406,1371 2.466,1372 0.251,1373 96.636,1374 0.211,1375 29.894,1376 0.396,1377 164,1378 511.183,1379 197.692,1380 516.328,1381 692.47,1382 480,1383 191,1384 495.705,1385 220.899,1386 502.548,1387 732.21,1388 473,1389 5.1}
{0 CHEMBL1997534,1 1.569,2 11.793,3 5.159,4 26.61,5 118.525,6 7.799,7 0.656,8 4.045,9 4.155,10 3.697,11 3.664,12 5.153,13 3.612,14 4.555,15 4.716,16 4.092,17 4.061,18 5.609,19 3.988,20 4.722,21 4.886,22 4.167,23 4.173,24 5.785,25 4.079,26 4.856,27 5.049,28 4.051,29 4.207,30 5.872,31 4.073,32 4.842,33 5.059,34 4.001,35 4.146,36 5.84,37 4.001,38 4.787,39 4.991,40 4.004,41 4.081,42 5.832,43 3.945,44 4.709,45 4.927,46 3.858,47 3.988,48 5.76,49 3.853,50 4.635,51 4.869,52 3.676,53 3.865,54 5.603,55 3.728,56 0.052,57 0.737,58 10.579,59 4.982,60 8.893,61 6.165,62 0.175,63 1.186,64 20.625,65 8.612,66 21.077,67 10.666,68 0.197,69 1.417,70 26.224,71 10.103,72 27.831,73 12.366,74 0.228,75 1.588,76 33.697,77 12.491,78 33.839,79 14.956,80 0.268,81 1.476,82 31.928,83 12.561,84 42.007,85 15.673,86 0.316,87 1.428,88 32.479,89 11.491,90 47.547,91 13.747,92 0.319,93 1.338,94 31.18,95 11.024,96 44.304,97 13.329,98 0.219,99 1.214,100 25.397,101 9.326,102 31.286,103 12.09,104 27,105 46,106 0.259,107 0.611,108 0.786,109 0.881,110 0.881,111 0.881,112 3.408,113 0.964,114 -4.74,115 -4.65,116 -4.37,119 44.2,120 3,124 1,127 1,142 8,143 4,144 1,146 1,152 3,158 1,168 1,172 10,175 4,178 1,180 4,183 15,188 6,193 7,196 14,200 6,205 3,208 11,213 5,216 1,218 3,221 10,225 5,230 4,233 8,237 1,238 5,243 4,246 10,250 2,258 11,263 1,264 2,267 2,268 1,269 1,272 11,276 1343,277 19.472,278 19.472,279 19.472,280 19.472,281 19.472,282 16.915,283 17.871,284 11.155,285 19.92,286 15.693,287 15.693,288 15.693,289 15.693,290 15.693,291 11.703,292 20.996,293 5.2,294 16.328,295 4.132,296 2.002,297 0.943,298 0.366,299 0.366,300 0.366,301 4.099,305 1,306 1,307 745,308 3.536,311 156.714,312 185.643,315 127.006,319 1.883,320 20.606,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 61.5,332 342,333 4.584,334 3.599,335 6.597,336 4.128,337 3.164,338 4.52,339 1.081,340 10.508,341 3.062,342 4.401,343 3.172,344 6.423,345 3.957,346 2.994,347 4.111,348 0.86,349 9.868,350 2.87,351 4.159,352 3.087,353 6.116,354 3.83,355 2.854,356 3.722,357 0.473,358 8.913,359 2.776,360 3.889,361 2.956,362 5.883,363 3.528,364 2.547,365 3.273,367 8.111,368 2.487,369 3.538,370 2.686,371 5.249,372 3.218,373 2.271,374 2.813,376 6.556,377 2.141,378 3.39,379 2.207,380 5.041,381 2.98,382 1.989,383 2.697,385 5.676,386 1.967,387 3.255,388 1.949,389 4.941,390 2.798,391 1.822,392 2.561,394 5.38,395 1.774,396 2.792,397 1.674,398 4.294,399 2.402,400 1.452,401 1.889,403 3.893,404 1.372,405 2.717,406 1.616,407 4.094,408 2.225,409 1.252,410 1.815,412 3.388,413 1.215,414 2.631,415 1.288,416 3.876,417 2.135,418 1.175,419 1.645,421 2.795,422 1.115,423 2.419,424 1.149,425 3.723,426 1.899,427 0.983,428 1.385,430 2.626,431 0.877,432 2.28,433 1.016,434 3.456,435 1.849,436 0.85,437 1.15,439 2.155,440 0.837,441 2.081,442 0.935,443 3.221,444 1.581,445 0.614,446 0.888,448 1.503,449 0.588,450 1.583,451 0.681,452 2.702,453 1.292,454 0.427,455 0.479,457 0.621,458 0.366,459 0.979,460 0.266,461 2.64,462 0.593,463 -0.372,464 -0.477,466 -0.917,467 -0.356,468 14.2,469 0.49,470 0.801,471 0.028,472 37.75,473 1.302,474 20,475 0.69,476 17.75,477 0.612,478 26.148,479 0.902,480 30.2,481 0.581,482 27.402,483 0.945,484 7.423,485 0.256,486 6.534,487 0.225,488 0.164,490 0.387,496 0.745,497 1,498 0.753,499 0.891,500 0.65,501 0.875,502 0.912,503 0.941,504 0.753,505 0.78,506 0.616,507 0.761,508 1.036,509 1.143,510 1.032,511 1.094,512 0.966,513 1.036,514 1.101,515 1.164,516 1.394,517 1.289,518 1.183,519 1.173,520 0.95,521 0.983,522 1.013,523 1.03,524 1.2,525 1.017,526 1.404,527 1.062,528 1.229,529 1.122,530 1.682,531 1.034,532 0.972,533 1.097,534 1.299,535 1.194,536 1.241,537 1.02,538 0.989,539 1.024,540 0.979,541 1.045,542 1.191,543 1.079,544 6.5,545 0.173,546 4,547 2.299,548 1.811,549 1.122,550 0.605,551 0.504,552 0.323,553 0.183,554 11318,555 29129,556 2.07,557 44.2,558 3,559 12,562 2,563 3,564 3,567 1.717,568 1.912,569 3.538,570 0.194,577 81.584,578 1.569,579 3.698,580 4.758,581 5.335,582 5.335,583 5.335,584 2.97,585 4.651,586 4.831,587 3.711,588 1506.74,589 8.401,590 20624.3,595 296.423,596 1.487,597 4.777,598 0.203,599 0.008,600 0.087,601 0.05,602 0.044,603 0.03,604 0.017,605 0.015,606 0.012,607 0.007,608 0.473,609 0.17,610 1,611 0.772,612 148.272,613 0.025,614 0.091,615 0.064,616 0.06,617 -0.066,618 0.046,619 0.031,620 0.102,621 0.183,622 0.208,623 0.081,624 0.191,625 -0.078,626 -0.083,627 -0.021,628 -0.073,629 -0.056,630 -0.087,631 -0.143,632 -0.121,633 -0.245,634 -0.199,635 -0.112,636 -0.193,637 0.017,638 -0.036,639 0.024,640 0.004,641 -0.002,642 -0.01,643 -0.149,644 -0.073,645 -0.052,646 -0.028,647 -0.131,648 -0.047,649 0.069,650 -0.087,651 -0.095,652 -0.085,653 0.092,654 -0.019,655 -0.052,656 -0.051,657 -0.048,658 -0.104,659 -0.072,660 -0.102,661 1.736,662 5.858,663 0.69,664 27.929,665 0.998,666 1.115,667 3.508,668 12.307,669 0.696,670 3.497,671 3.85,672 4.143,673 4.394,674 4.575,675 4.644,676 4.771,677 4.883,678 4.942,679 4.997,680 7.041,681 0.653,682 405.56,683 3.497,684 5.056,685 5.922,686 6.81,687 7.691,688 8.582,689 9.468,690 10.36,691 11.25,692 12.143,693 5.8,700 1,701 1,703 1,708 2,709 8,710 1,711 1,713 1,714 7,716 21,723 1,733 1,735 52,737 22,738 2,739 32,741 55,742 23,743 17,744 5,745 7,746 1,748 4,749 5,754 3,760 1,762 18,763 5,767 1,772 1,776 1,783 23,784 4,785 2,786 6,787 1,792 3,797 0.75,798 2,807 1,815 2,816 2,819 1,843 3,845 1,847 4,851 29,860 1,861 1,863 1,869 1,874 3.8,877 1,879 1,881 15.167,882 10.7,883 6.333,884 3.037,886 3.875,887 1.504,888 1.001,889 5.527,890 11.57,891 3.795,892 4.454,893 5.092,894 5.696,895 6.172,896 6.513,897 6.939,898 7.371,899 7.677,900 8.01,901 0.875,902 46,903 10.705,905 4.527,906 7.649,907 20.591,909 16.925,911 2.149,912 62.333,915 1,916 247.193,917 174.142,918 51.337,920 36.145,922 31.278,923 142.864,924 283.338,925 51.337,926 37.359,927 18.011,928 75.81,929 46.513,930 47.793,931 4.861,932 278.471,934 247.193,935 194.201,936 36.145,937 31.278,939 211.88,940 71.458,943 63.906,944 113.632,945 16.663,946 31.278,947 247.193,948 87.482,949 174.142,952 247.193,953 60.973,954 113.169,955 34.674,956 52.808,957 247.193,958 87.482,959 174.142,961 0.591,962 0.357,963 0.187,964 0.098,965 23,966 11,967 0.091,968 5,969 1,970 1.1,971 4.045,972 256.469,973 0.1,974 20,975 140.881,977 1,981 19.807,982 8.093,983 3.98,984 2.124,985 70.819,986 15.949,987 4.266,988 3.03,990 1.515,991 6.762,993 34.674,994 508.817,995 43.5,1000 12.858,1004 -0.069,1007 51.872,1008 57.986,1009 0.275,1010 0.649,1011 0.835,1012 0.936,1013 0.936,1014 0.936,1015 5.039,1016 1.452,1017 5.927,1018 5.38,1019 4.533,1020 5.142,1021 1.661,1022 6.76,1023 4.459,1024 6.275,1025 1.252,1026 7.507,1027 3.893,1028 4.205,1029 5.037,1031 7.687,1032 4.109,1033 7.601,1034 1.175,1035 9.183,1036 3.388,1037 6.159,1038 7.414,1039 1.594,1040 10.777,1041 6.022,1042 8.964,1043 0.983,1044 10.912,1045 2.795,1046 6.635,1047 8.143,1049 12.503,1050 6.462,1051 10.358,1052 0.85,1053 12.675,1054 2.626,1055 8.071,1056 9.989,1057 1.614,1058 15.101,1059 7.87,1060 11.773,1061 0.614,1062 14.46,1063 2.155,1064 8.899,1065 11.106,1067 17.158,1068 8.656,1069 13.206,1070 0.427,1071 16.262,1072 1.503,1073 10.137,1074 12.737,1075 1.674,1076 19.58,1077 9.867,1078 3.164,1079 -0.372,1080 18.076,1081 0.621,1082 11.124,1083 14.043,1085 21.782,1086 10.812,1087 2.994,1088 10.508,1089 19.9,1090 -0.917,1091 12.285,1092 15.583,1093 1.758,1094 24.139,1095 11.945,1096 2.854,1097 9.868,1098 21.731,1099 4.52,1100 13.344,1101 16.981,1103 26.406,1104 12.964,1105 2.547,1106 8.913,1107 23.568,1108 4.111,1109 14.477,1110 18.486,1111 1.859,1112 28.741,1113 14.067,1114 2.271,1115 8.111,1116 25.409,1117 3.722,1118 15.569,1119 19.929,1121 31.039,1122 15.122,1123 1.989,1124 6.556,1125 27.255,1126 3.273,1127 16.694,1128 21.421,1129 1.973,1130 33.367,1131 16.215,1132 1.822,1133 5.676,1134 29.105,1135 2.813,1136 17.804,1137 22.888,1139 35.682,1140 17.288,1141 10743,1142 17376,1143 21.096,1144 36.188,1145 49.377,1146 50.039,1147 51.079,1148 48.692,1149 48.789,1150 65.897,1151 4.827,1152 143.985,1153 46.893,1154 5.464,1155 5.599,1156 6.187,1157 5.255,1158 5.164,1159 7.52,1160 2.162,1161 17.384,1162 5.062,1163 15.63,1164 1.543,1165 1.564,1166 1.596,1167 1.522,1168 1.525,1169 2.059,1170 0.151,1171 4.5,1172 1.465,1173 4.133,1174 4.165,1175 4.29,1176 4.084,1177 7.429,1178 4.064,1179 3.953,1180 3.981,1181 4.022,1182 3.88,1183 5.078,1184 3.873,1185 3.869,1186 3.88,1187 3.875,1188 3.847,1189 4.866,1190 3.814,1191 3.518,1192 3.575,1193 3.429,1194 3.329,1195 4.63,1196 3.34,1197 3.367,1198 3.428,1199 3.268,1200 3.233,1201 4.406,1202 3.228,1203 3.237,1204 3.302,1205 3.084,1206 3.007,1207 4.28,1208 3.006,1209 3.168,1210 3.233,1211 3.011,1212 2.949,1213 4.106,1214 2.947,1215 3.078,1216 3.176,1217 2.949,1218 2.887,1219 3.88,1220 2.877,1221 0.143,1222 0.112,1223 0.206,1224 0.129,1225 0.099,1226 4.584,1227 0.141,1228 3.599,1229 0.034,1230 6.597,1231 0.328,1232 4.128,1233 0.096,1234 3.164,1235 4.52,1236 1.081,1237 10.508,1238 3.062,1239 1.961,1240 1.944,1241 2.036,1242 2.022,1243 1.21,1244 2.029,1245 1.919,1246 1.894,1247 2.032,1248 2.021,1249 1.197,1250 2.027,1251 1.621,1252 1.593,1253 1.79,1254 1.772,1255 0.917,1256 1.771,1257 1.509,1258 1.483,1259 1.727,1260 1.729,1261 0.837,1262 1.713,1263 1.46,1264 1.386,1265 1.692,1266 1.672,1267 0.746,1268 1.698,1269 1.347,1270 1.316,1271 1.563,1272 1.506,1273 0.617,1274 1.526,1275 1.182,1276 1.105,1277 1.409,1278 1.449,1279 0.57,1280 1.485,1281 1.044,1282 0.966,1283 1.286,1284 1.321,1285 0.354,1286 1.333,1287 4.174,1289 5.517,1290 3.045,1291 7.043,1292 5.416,1293 8.648,1294 7.506,1295 10.295,1297 7.646,1305 3.091,1306 5.278,1308 -0.117,1314 33.949,1315 81.584,1316 192.317,1317 247.403,1318 277.403,1319 277.403,1320 277.403,1321 45.831,1322 7.695,1323 67.01,1324 95.25,1325 22,1326 12.67,1327 4.524,1328 3.644,1329 44.865,1330 123,1331 122,1332 0.177,1333 212.053,1334 356.11,1335 509.169,1336 24287,1338 20.543,1339 0.708,1340 0.61,1341 20.897,1342 17.685,1343 13.957,1344 0.436,1345 0.321,1346 9.431,1347 13.095,1348 8.96,1349 7.51,1350 14.365,1351 10.28,1352 12.816,1353 0.279,1354 0.179,1355 13.431,1356 8.216,1357 11.152,1358 0.18,1359 0.103,1360 12.092,1361 6.384,1362 9.081,1363 0.114,1364 0.056,1365 9.967,1366 4.501,1367 7.078,1368 0.074,1369 0.031,1370 7.837,1371 2.998,1372 0.281,1373 90.832,1374 0.218,1375 27.69,1376 0.477,1377 156,1378 424.642,1379 192.211,1380 436.442,1381 606.13,1382 410,1383 186,1384 438.348,1385 222.45,1386 465.089,1387 678.8,1388 436,1389 5.2}
{0 CHEMBL1997597,1 1.758,2 9.5,3 2.517,4 6.335,5 89.807,6 8.327,7 0.667,8 3.757,9 3.869,10 3.593,11 3.353,12 4.875,13 3.309,14 4.258,15 4.395,16 3.839,17 3.728,18 5.625,19 3.672,20 4.487,21 4.67,22 3.804,23 3.813,24 5.69,25 3.734,26 4.494,27 4.697,28 3.654,29 3.757,30 5.676,31 3.653,32 4.39,33 4.614,34 3.484,35 3.639,36 5.504,37 3.519,38 4.247,39 4.468,40 3.332,41 3.478,42 5.332,43 3.364,44 4.126,45 4.385,46 3.225,47 3.292,48 5.125,49 3.157,50 3.943,51 4.195,52 3.128,53 3.097,54 5.045,55 2.967,56 0.133,57 0.622,58 9.678,59 3.578,60 19.235,61 4.035,62 0.309,63 0.943,64 15.895,65 6.343,66 52.459,67 7.449,68 0.34,69 1.1,70 21.476,71 7.616,72 51.254,73 8.892,74 0.367,75 1.065,76 21.344,77 7.373,78 53.499,79 8.822,80 0.256,81 0.908,82 20.26,83 7.544,84 44.297,85 9.517,86 0.206,87 0.804,88 15.283,89 5.987,90 36.615,91 7.881,92 0.193,93 0.737,94 14.941,95 4.974,96 24.864,97 6.747,98 0.185,99 0.597,100 15.056,101 4.575,102 25.336,103 5.586,104 20,105 35,106 0.312,107 0.637,108 0.747,109 0.83,110 0.842,111 0.842,112 3.146,113 1.06,114 -3.54,115 -3.51,116 -3.35,119 39.5,120 1,125 1,142 7,143 3,144 1,147 1,152 1,163 1,164 1,165 1,168 1,172 9,174 1,175 1,177 1,178 3,180 5,183 12,185 1,188 4,192 1,193 6,195 1,196 12,198 1,200 6,205 4,208 8,210 2,213 5,218 4,221 6,223 2,225 4,230 6,233 2,235 2,238 4,243 6,246 1,248 2,250 4,258 1,264 4,267 1,268 2,271 1,272 2,276 604,277 14.541,278 14.541,279 14.541,280 14.541,281 14.541,282 12.36,283 8.618,284 8.209,285 14.941,286 11.736,287 11.736,288 11.736,289 11.736,290 11.736,291 8.347,292 5.975,293 3.807,294 12.178,295 3.49,296 1.656,297 1.031,298 0.566,299 0.494,300 0.494,301 3.822,304 1,305 1,306 1,307 447,308 3.317,311 53.62,312 127.305,315 92.449,319 1.727,320 24.486,321 1,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 48,332 209,333 4.693,334 4.451,335 6.727,336 4.139,337 3.209,338 4.511,340 10.948,341 3.051,342 4.556,343 3.121,344 6.521,345 4.079,346 3.098,347 4.485,349 10.224,350 2.956,351 4.145,352 2.791,353 6.089,354 3.74,355 2.752,356 3.771,358 8.849,359 2.713,360 3.678,361 2.443,362 5.256,363 3.251,364 2.278,365 3.12,367 6.665,368 2.211,369 3.311,370 1.958,371 4.952,372 2.839,373 1.883,374 2.653,376 5.416,377 1.798,378 2.975,379 1.543,380 4.406,381 2.484,382 1.5,383 2.193,385 4.273,386 1.473,387 2.657,388 1.215,389 4.015,390 2.161,391 1.183,392 1.729,394 3.168,395 1.155,396 2.5,397 1.019,398 3.432,399 2,400 1,401 1.5,403 2.275,404 1,405 2.125,406 1,407 3.414,408 1.655,409 0.676,410 0.962,412 1.585,413 0.66,414 1.554,415 0.707,416 3.222,417 1.42,418 0.461,419 0.486,421 0.68,422 0.435,423 1.349,424 0.116,425 2.773,426 0.985,427 0.011,428 0.013,430 0.025,431 0.01,432 1,433 -0.331,434 2.576,435 0.532,436 -0.439,437 -0.565,439 -1.092,440 -0.423,441 0.921,442 -0.471,443 2.206,444 0.2,445 -0.786,446 -1.032,448 -2.255,449 -0.774,450 0.653,451 -0.735,452 2,453 0.098,454 -0.891,455 -1.286,457 -2.615,458 -0.878,459 0.526,460 -0.887,461 2,463 -1,464 -1.5,466 -3,467 -1,468 10.6,469 0.482,470 0.69,471 0.031,472 31.5,473 1.432,474 18,475 0.818,476 13.5,477 0.614,478 14.424,479 0.656,480 23.6,481 0.621,482 21.937,483 0.997,484 5.977,485 0.272,486 4.505,487 0.205,488 0.148,489 0.079,490 0.283,496 0.588,497 1.084,498 0.838,499 1.119,500 0.762,501 0.849,502 0.514,503 1.149,504 0.993,505 1.131,506 0.514,507 0.969,508 1.196,509 1.029,510 1.117,511 1.025,512 1.127,513 1.003,514 1.298,515 0.947,516 1.15,517 0.985,518 1.195,519 1.089,520 0.865,521 0.942,522 0.9,523 0.988,524 0.936,525 1.009,526 0.848,527 1.135,528 0.775,529 0.967,530 0.906,531 1.119,532 0.726,533 1.085,534 0.811,535 0.895,536 0.521,537 1.004,538 0.978,539 1.006,540 1.102,541 1.045,542 0.783,543 0.903,544 6,545 0.174,546 3.111,547 1.479,548 0.991,549 0.712,550 0.473,551 0.262,552 0.211,553 0.119,554 5053,555 16094,556 2.032,557 42.1,559 9,562 4,564 3,567 1.64,568 1.872,569 3.211,570 1.914,571 1,572 1,574 1,577 66.818,578 1.758,579 3.592,580 4.217,581 4.682,582 4.754,583 4.754,584 2.738,585 4.187,586 4.431,587 3.405,588 786.594,589 7.585,590 8714.82,591 1,592 1,594 1,595 199.421,596 1.661,597 4.366,598 0.25,599 0.016,600 0.089,601 0.045,602 0.037,603 0.03,604 0.024,605 0.016,606 0.015,607 0.009,608 0.53,609 0.17,610 1,611 1.258,612 101.84,613 0.09,614 0.137,615 0.212,616 0.024,617 -0.203,618 0.097,619 0.324,620 -0.05,621 -0.022,622 -0.068,623 0.293,624 -0.012,625 -0.192,626 -0.01,627 -0.157,628 -0.03,629 -0.114,630 -0.05,631 -0.282,632 0.044,633 -0.233,634 -0.042,635 -0.172,636 -0.141,637 -0.036,638 -0.06,639 -0.001,640 -0.02,641 -0.022,642 0.023,643 -0.052,644 -0.244,645 -0.015,646 -0.104,647 -0.082,648 -0.125,649 -0.03,650 -0.133,651 0.083,652 -0.007,653 0.004,654 -0.016,655 -0.056,656 -0.042,657 0.079,658 0.023,659 0.068,660 0.112,661 4.173,662 4.543,663 0.682,664 18.496,665 1.012,666 1.127,667 2.306,668 5.315,669 0.688,670 3.219,671 3.584,672 3.807,673 4.025,674 4.22,675 4.277,676 4.443,677 4.564,678 4.522,679 4.554,680 5.814,681 0.654,682 316.42,683 3.219,684 4.779,685 5.624,686 6.515,687 7.376,688 8.267,689 9.134,690 10.025,691 10.896,692 11.787,693 10.5,697 1,698 1,701 1,703 1,708 2,709 7,710 1,711 1,714 4,716 16,727 1,735 38,737 18,738 2,739 24,741 40,742 15,743 13,744 5,745 7,748 3,749 4,754 1,762 13,763 2,767 2,770 1,772 2,779 1,780 1,783 16,784 5,785 4,786 7,787 1,792 4,797 0.667,798 2,807 1,815 1,816 2,819 1,843 2,845 1,847 1,851 22,852 1,855 1,858 1,860 1,874 5.3,877 2,881 11.75,882 6.867,883 4.75,884 2.176,886 3.293,887 1.475,888 1.032,889 3.808,890 10.22,891 3.555,892 4.259,893 4.795,894 5.404,895 5.947,896 6.302,897 6.807,898 7.265,899 7.491,900 7.87,901 1,902 33,903 8.246,905 3.701,906 7.973,907 15.264,909 12.742,911 2.473,912 54.417,916 141.253,917 98.039,918 82.628,920 44.313,922 5.807,923 92.232,924 185.566,925 82.628,926 8.825,927 0.9,928 105.038,929 77.381,930 28.364,931 4.472,932 141.253,934 141.253,935 174.86,936 44.313,937 5.807,939 105.94,940 79.626,943 26.388,944 115.404,945 38.875,947 141.253,948 126.941,949 98.039,951 5.807,952 141.253,953 17.073,954 75.159,955 33.068,956 93.873,957 141.253,958 126.941,959 98.039,961 0.596,962 0.34,963 0.164,964 0.087,965 18,966 8,967 0.1,968 4,969 1,970 1.133,971 3.41,972 170.615,973 0.133,974 15,975 92.107,980 1,981 14.88,982 5.63,983 3.108,984 1.752,985 110.278,986 13.055,987 3.97,988 2.856,991 2.978,993 65.965,994 366.233,995 34,998 -3.256,1000 23.085,1007 38.44,1008 42.823,1009 0.335,1010 0.685,1011 0.804,1012 0.892,1013 0.906,1014 0.906,1015 4.796,1016 1,1017 5.666,1018 3.168,1019 4.263,1020 4.945,1022 6.518,1023 4.196,1024 6.073,1025 0.676,1026 7.263,1027 2.275,1028 4.111,1029 5.121,1031 7.719,1032 3.975,1033 7.447,1034 0.461,1035 8.964,1036 1.585,1037 5.969,1038 7.353,1040 10.661,1041 5.825,1042 8.862,1043 0.011,1044 10.723,1045 0.68,1046 6.581,1047 8.293,1049 12.6,1050 6.357,1051 10.306,1052 -0.439,1053 12.518,1054 0.025,1055 7.976,1056 10.064,1058 15.135,1059 7.741,1060 11.769,1061 -0.786,1062 14.337,1063 -1.092,1064 8.895,1065 11.316,1067 17.337,1068 8.585,1069 13.248,1070 -0.891,1071 16.173,1072 -2.255,1073 10.127,1074 12.921,1076 19.752,1077 9.793,1078 3.209,1079 -1,1080 18.02,1081 -2.615,1082 11.175,1083 14.309,1085 22.053,1086 10.773,1087 3.098,1088 10.948,1089 19.875,1090 -3,1091 12.348,1092 15.849,1094 24.431,1095 11.911,1096 2.752,1097 10.224,1098 21.737,1099 4.511,1100 13.45,1101 17.298,1103 26.771,1104 12.952,1105 2.278,1106 8.849,1107 23.605,1108 4.485,1109 14.603,1110 18.812,1112 29.14,1113 14.063,1114 1.883,1115 6.665,1116 25.476,1117 3.771,1118 15.729,1119 20.288,1121 31.498,1122 15.132,1123 1.5,1124 5.416,1125 27.35,1126 3.12,1127 16.877,1128 21.794,1130 33.867,1131 16.233,1132 1.183,1133 4.273,1134 29.228,1135 2.653,1136 18.015,1137 23.283,1139 36.233,1140 17.316,1141 4973,1142 8982,1143 15.603,1144 26.148,1145 36.054,1146 37.37,1147 37.736,1148 36.15,1149 36.101,1150 50.846,1152 108.214,1153 34.924,1154 5.49,1155 6.451,1156 6.141,1157 5.149,1158 5.209,1159 7.511,1161 17.474,1162 5.051,1163 11.856,1164 1.502,1165 1.557,1166 1.572,1167 1.506,1168 1.504,1169 2.119,1171 4.509,1172 1.455,1173 4.131,1174 4.165,1175 4.722,1176 4.053,1177 7.716,1178 4.048,1179 4.003,1180 3.994,1181 4.086,1182 3.951,1183 6.999,1184 3.861,1185 3.796,1186 3.802,1187 3.789,1188 3.734,1189 5.249,1190 3.689,1191 3.352,1192 3.419,1193 3.279,1194 3.185,1195 4.8,1196 3.201,1197 3.165,1198 3.239,1199 2.973,1200 2.96,1201 4.678,1202 2.927,1203 3.018,1204 3.108,1205 2.907,1206 2.85,1207 4.286,1208 2.837,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.97,1214 2.715,1215 2.725,1216 2.832,1217 2.622,1218 2.516,1219 3.767,1220 2.519,1221 0.196,1222 0.185,1223 0.28,1224 0.172,1225 0.134,1226 4.693,1227 0.188,1228 4.451,1230 6.727,1231 0.456,1232 4.139,1233 0.127,1234 3.209,1235 4.511,1237 10.948,1238 3.051,1239 2.013,1240 1.995,1241 2.087,1242 2.08,1243 1.24,1244 2.094,1245 1.837,1246 1.838,1247 1.895,1248 1.947,1249 1.164,1250 1.986,1251 1.691,1252 1.689,1253 1.798,1254 1.803,1255 0.985,1256 1.838,1257 1.351,1258 1.268,1259 1.492,1260 1.694,1261 0.452,1262 1.642,1263 1.15,1264 1.091,1265 1.255,1266 1.397,1267 0.376,1268 1.434,1269 1.003,1270 0.962,1271 1.181,1272 1.254,1273 0.285,1274 1.255,1275 0.886,1276 0.821,1277 1.114,1278 1.062,1279 0.218,1280 1.107,1281 0.755,1282 0.678,1283 1.054,1284 0.976,1285 0.036,1286 1.012,1287 3.892,1289 5.242,1290 2.398,1291 6.777,1292 4.727,1293 8.385,1294 6.804,1295 10.032,1297 1.598,1301 5.813,1303 0.047,1305 2.518,1314 24.863,1315 66.818,1316 136.509,1317 160.26,1318 177.911,1319 180.666,1320 180.666,1321 38.648,1322 6.927,1323 100.87,1324 109.25,1325 17,1326 12.319,1327 4.248,1328 3.459,1329 34.709,1330 77,1331 72,1332 0.225,1333 158.284,1334 259.89,1335 377.973,1336 8494,1338 15.742,1339 0.716,1340 0.582,1341 15.992,1342 12.814,1343 10.482,1344 0.437,1345 0.353,1346 6.89,1347 9.318,1348 6.574,1349 5.47,1350 11.336,1351 8.481,1352 10.054,1353 0.287,1354 0.199,1355 11.415,1356 6.963,1357 8.169,1358 0.186,1359 0.108,1360 9.068,1361 4.771,1362 6.266,1363 0.114,1364 0.052,1365 6.831,1366 2.836,1367 5.012,1368 0.075,1369 0.029,1370 5.45,1371 1.921,1372 0.355,1373 74.007,1374 0.253,1375 21.79,1376 0.613,1377 118,1378 353.955,1379 162.092,1380 369.469,1381 501.54,1382 338,1383 138,1384 351.714,1385 188.161,1386 390.024,1387 560.86,1388 365,1389 5.1}
{0 CHEMBL1997617,1 1.424,2 14.75,3 4.738,4 22.449,5 145.54,6 6.896,7 0.537,8 4.347,9 4.48,10 3.869,11 3.878,12 5.338,13 3.847,14 4.925,15 5.119,16 4.239,17 4.308,18 5.835,19 4.254,20 5.227,21 5.456,22 4.304,23 4.497,24 6.048,25 4.4,26 5.329,27 5.584,28 4.256,29 4.546,30 6.114,31 4.411,32 5.352,33 5.63,34 4.209,35 4.538,36 6.098,37 4.392,38 5.274,39 5.538,40 4.172,41 4.467,42 6.076,43 4.331,44 5.218,45 5.491,46 4.053,47 4.363,48 6.021,49 4.222,50 5.119,51 5.399,52 3.952,53 4.262,54 5.901,55 4.11,56 0.064,57 1.077,58 15.969,59 6.262,60 12.756,61 8.921,62 0.308,63 1.798,64 30.266,65 10.581,66 27.785,67 15.407,68 0.391,69 2.241,70 42.109,71 14.747,72 35.343,73 21.554,74 0.436,75 2.395,76 47.116,77 17.334,78 42.55,79 25.346,80 0.405,81 2.417,82 48.663,83 17.487,84 42.883,85 26.189,86 0.335,87 2.279,88 44.61,89 15.663,90 43.363,91 23.618,92 0.467,93 2.112,94 42.898,95 14.263,96 44.376,97 21.618,98 0.476,99 1.857,100 38.907,101 13.778,102 44.889,103 20.604,104 5,105 58,106 0.222,107 0.538,108 0.691,109 0.759,110 0.814,111 0.814,112 3.616,113 0.953,114 -5.64,115 -5.51,116 -5.14,119 41.4,121 4,124 1,125 4,127 2,142 9,143 3,144 2,147 1,148 1,151 1,161 1,163 1,164 1,165 1,172 12,174 2,175 12,177 1,178 1,180 1,183 13,185 1,187 1,188 11,193 1,196 10,198 1,199 1,200 8,202 2,203 2,205 1,208 10,210 1,212 1,213 11,218 2,221 14,223 2,225 9,230 4,233 14,235 4,237 2,238 4,243 2,246 14,248 2,249 3,250 1,252 1,253 1,258 9,263 1,264 6,266 1,267 1,272 3,276 2624,277 24.947,278 24.947,279 24.947,280 24.947,281 24.947,282 22.365,283 28.063,284 14.705,285 25.541,286 20.274,287 20.274,288 20.274,289 20.274,290 20.274,291 16.436,292 34.175,293 7.026,294 21.264,295 4.705,296 2.669,297 1.686,298 1.25,299 0.896,300 0.896,301 4.337,306 1,307 1191,308 2.646,311 80.947,312 558.681,315 153.599,319 2.556,320 20.088,323 0.75,324 0.67,325 1,326 0.8,327 0.5,328 1,329 1,330 0.82,331 76,332 531,333 4.761,334 3.388,335 7.049,336 4.309,337 3.345,338 4.731,339 0.86,340 12.141,341 3.232,342 4.107,343 3.135,344 6.26,345 3.844,346 2.893,347 3.707,348 0.8,349 9.32,350 2.756,351 3.943,352 3.065,353 6.128,354 3.693,355 2.742,356 3.438,357 0.8,358 8.976,359 2.607,360 3.877,361 2.791,362 5.815,363 3.561,364 2.621,365 3.232,367 7.938,368 2.457,369 3.781,370 2.615,371 5.561,372 3.434,373 2.471,374 2.963,376 7.544,377 2.37,378 3.561,379 2.544,380 5.097,381 3.224,382 2.299,383 2.86,385 6.128,386 2.125,387 3.338,388 2.275,389 5.041,390 3.123,391 2.154,392 2.38,394 6.075,395 2.079,396 3.121,397 2,398 5.014,399 2.841,400 1.903,401 2.261,403 5.612,404 1.779,405 3.015,406 1.617,407 4.451,408 2.495,409 1.545,410 2.195,412 4.167,413 1.464,414 2.853,415 1.599,416 4.38,417 2.396,418 1.452,419 2.009,421 4.078,422 1.366,423 2.612,424 1.464,425 4.091,426 2.364,427 1.394,428 1.642,430 3.057,431 1.346,432 2.5,433 1.146,434 3.634,435 2.026,436 1.073,437 1.5,439 3.021,440 1.019,441 2.5,442 1.092,443 3.574,444 2,445 1,446 1.5,448 2.364,449 1,450 2.468,451 1,452 3.414,453 2,454 1,455 1.46,457 2.275,458 1,459 2.168,460 1,461 3.414,462 2,463 1,464 1.109,466 2.275,467 1,468 17.233,469 0.479,470 0.777,471 0.022,472 45.5,473 1.264,474 21,475 0.583,476 24.5,477 0.681,478 34.876,479 0.969,480 38.567,481 0.551,482 34.368,483 0.955,484 8.566,485 0.238,486 9.087,487 0.252,488 0.052,490 0.331,496 0.968,497 1.431,498 0.851,499 1.136,500 0.96,501 1.003,502 1.17,503 1.044,504 0.962,505 0.961,506 0.645,507 0.935,508 1.277,509 1.049,510 1.04,511 1.009,512 0.818,513 1.002,514 0.9,515 0.996,516 0.992,517 1.033,518 0.769,519 1.028,520 0.755,521 0.915,522 0.916,523 0.924,524 0.751,525 0.931,526 0.853,527 1.084,528 0.993,529 1.043,530 0.994,531 1.028,532 1.045,533 0.962,534 1.058,535 0.979,536 1.323,537 1.006,538 0.681,539 0.886,540 0.911,541 0.945,542 0.928,543 0.949,544 6,545 0.235,546 4,547 2.292,548 2.011,549 1.237,550 0.793,551 0.545,552 0.372,553 0.377,554 22094,555 45600,556 2.203,557 48.6,559 22,560 1,561 1,562 2,564 8,567 1.774,568 2.118,569 3.782,570 0.121,577 99.685,578 1.424,579 3.46,580 4.443,581 4.879,582 5.233,583 5.233,584 3.304,585 4.725,586 5.131,587 3.979,588 2506.86,589 9.024,590 40265.3,595 429.05,596 1.194,597 5.125,598 0.146,599 0.005,600 0.069,601 0.038,602 0.036,603 0.023,604 0.016,605 0.012,606 0.009,607 0.009,608 0.364,609 0.17,610 0.63,611 0.375,612 197.523,613 0.002,614 -0.216,615 0.084,616 -0.065,617 0.011,618 0.006,619 -0.002,620 0.107,621 0.017,622 0.036,623 0.185,624 0.032,625 -0.107,626 -0.005,627 -0.051,628 -0.014,629 0.059,630 -0.024,631 0.019,632 -0.014,633 -0.017,634 -0.029,635 0.107,636 -0.03,637 -0.002,638 0.048,639 0.057,640 0.067,641 0.065,642 0.069,643 -0.039,644 -0.09,645 -0.02,646 -0.057,647 0.006,648 -0.038,649 -0.031,650 0.03,651 -0.062,652 -0.021,653 -0.161,654 -0.038,655 0.219,656 0.059,657 0.076,658 0.037,659 0.079,660 0.042,661 1.135,662 2.485,663 0.917,664 49.475,665 0.99,666 1.129,667 4.413,668 19.476,669 0.659,670 3.738,671 4.078,672 4.394,673 4.7,674 4.99,675 5.112,676 5.303,677 5.497,678 5.67,679 5.841,680 8.297,681 0.617,682 482.69,683 3.738,684 5.293,685 6.163,686 7.054,687 7.942,688 8.841,689 9.74,690 10.645,691 11.55,692 12.461,693 8.6,696 2,697 1,701 1,703 2,708 2,709 11,710 2,714 5,715 1,716 22,727 1,733 1,735 70,737 22,738 2,739 41,741 75,742 29,743 18,744 3,745 9,748 6,749 7,757 6,760 6,762 18,763 11,783 34,784 6,785 2,786 7,792 6,797 0.833,798 1,810 1,811 1,815 1,816 5,819 1,839 2,843 5,847 1,851 36,852 1,858 8,861 1,863 2,864 2,874 1.4,879 1,881 17,882 12.583,883 7.778,884 4.417,886 4.009,887 1.454,888 1.017,889 6.66,890 12.843,891 3.97,892 4.567,893 5.18,894 5.807,895 6.382,896 6.732,897 7.208,898 7.698,899 8.052,900 8.434,901 1,902 60,903 13.335,905 5.724,906 7.44,907 26.482,909 22.737,911 1.94,912 69.833,916 376.675,917 153.384,918 74.616,920 11,923 153.384,924 387.675,925 74.616,926 8.396,927 18.561,928 127.231,929 47.057,930 47.197,931 14.099,932 353.133,934 376.675,935 228,936 11,939 282.506,940 105.169,943 37.043,944 157.386,945 33.571,947 376.675,948 85.616,949 153.384,952 376.675,953 42.035,954 119.496,956 77.468,957 376.675,958 85.616,959 153.384,961 0.583,962 0.344,963 0.191,964 0.11,965 30,966 12,967 0.067,968 5,969 1,970 1.061,971 4.765,972 360.222,973 0.061,974 33,975 170.117,981 23.475,982 10.213,983 4.89,984 1.876,985 83.717,986 21.864,987 9.008,991 4.332,992 2.358,993 32.897,994 615.675,995 52,1007 69.309,1008 79.012,1009 0.232,1010 0.565,1011 0.725,1012 0.796,1013 0.854,1014 0.854,1015 5.223,1016 1.903,1017 6.142,1018 6.075,1019 4.762,1020 5.255,1021 1.481,1022 6.969,1023 4.671,1024 6.409,1025 1.545,1026 7.704,1027 5.612,1028 4.29,1029 4.987,1030 0.57,1031 7.897,1032 4.131,1033 7.708,1034 1.452,1035 9.367,1036 4.167,1037 6.365,1038 7.442,1039 1.104,1040 11.037,1041 6.184,1042 9.044,1043 1.394,1044 11.094,1045 4.078,1046 6.746,1047 8.088,1048 0.479,1049 12.859,1050 6.506,1051 10.417,1052 1.073,1053 12.863,1054 3.057,1055 8.263,1056 9.999,1057 0.854,1058 15.527,1059 8.002,1060 11.819,1061 1,1062 14.663,1063 3.021,1064 9.051,1065 11.107,1066 0.346,1067 17.731,1068 8.741,1069 13.245,1070 1,1071 16.486,1072 2.364,1073 10.344,1074 12.794,1075 0.661,1076 20.257,1077 10.01,1078 3.345,1079 1,1080 18.328,1081 2.275,1082 11.333,1083 14.136,1084 0.237,1085 22.626,1086 10.96,1087 2.893,1088 12.141,1089 20.185,1090 2.275,1091 12.541,1092 15.733,1093 0.505,1094 25.116,1095 12.142,1096 2.742,1097 9.32,1098 22.055,1099 4.731,1100 13.631,1101 17.189,1102 0.158,1103 27.555,1104 13.196,1105 2.621,1106 8.976,1107 23.935,1108 3.707,1109 14.813,1110 18.753,1111 0.382,1112 30.04,1113 14.35,1114 2.471,1115 7.938,1116 25.825,1117 3.438,1118 15.952,1119 20.261,1120 0.104,1121 32.509,1122 15.457,1123 2.299,1124 7.544,1125 27.723,1126 3.232,1127 17.131,1128 21.814,1129 0.285,1130 34.996,1131 16.607,1132 2.154,1133 6.128,1134 29.628,1135 2.963,1136 18.296,1137 23.346,1138 0.068,1139 37.479,1140 17.741,1141 20108,1142 29143,1143 28.433,1144 46.148,1145 62.315,1146 61.829,1147 63.056,1148 61.85,1149 61.767,1150 78.198,1151 4.92,1152 179.233,1153 58.992,1154 5.761,1155 5.388,1156 6.851,1157 5.383,1158 5.345,1159 7.731,1160 1.72,1161 19.668,1162 5.232,1163 11.792,1164 1.52,1165 1.508,1166 1.538,1167 1.509,1168 1.507,1169 1.907,1170 0.12,1171 4.372,1172 1.439,1173 4.166,1174 4.207,1175 4.137,1176 4.053,1177 5.235,1178 4.068,1179 3.917,1180 3.972,1181 3.858,1182 3.825,1183 4.938,1184 3.828,1185 3.905,1186 3.938,1187 3.799,1188 3.776,1189 4.8,1190 3.771,1191 3.787,1192 3.825,1193 3.716,1194 3.692,1195 4.662,1196 3.696,1197 3.706,1198 3.773,1199 3.578,1200 3.537,1201 4.442,1202 3.538,1203 3.361,1204 3.444,1205 3.277,1206 3.132,1207 4.368,1208 3.159,1209 3.197,1210 3.289,1211 3.063,1212 2.991,1213 4.183,1214 2.997,1215 3.111,1216 3.206,1217 2.927,1218 2.941,1219 4.076,1220 2.91,1221 0.116,1222 0.083,1223 0.172,1224 0.105,1225 0.082,1226 4.761,1227 0.115,1228 3.388,1229 0.021,1230 7.049,1231 0.296,1232 4.309,1233 0.079,1234 3.345,1235 4.731,1236 0.86,1237 12.141,1238 3.232,1239 1.947,1240 1.929,1241 2.11,1242 2.103,1243 1.512,1244 2.107,1245 1.927,1246 1.871,1247 2.034,1248 2.037,1249 1.268,1250 2.034,1251 1.858,1252 1.831,1253 1.974,1254 1.99,1255 1.148,1256 1.98,1257 1.765,1258 1.709,1259 1.953,1260 1.939,1261 1.036,1262 1.952,1263 1.688,1264 1.629,1265 1.799,1266 1.861,1267 0.917,1268 1.86,1269 1.412,1270 1.357,1271 1.59,1272 1.617,1273 0.825,1274 1.611,1275 1.178,1276 1.087,1277 1.513,1278 1.443,1279 0.825,1280 1.471,1281 1.153,1282 1.064,1283 1.513,1284 1.376,1285 0.802,1286 1.429,1287 4.419,1289 5.753,1290 2.398,1291 7.288,1292 4.844,1293 8.911,1294 7.081,1295 10.579,1297 2.223,1301 6.4,1303 9.521,1306 5.985,1308 1.132,1309 5.134,1314 43.218,1315 99.685,1316 242.228,1317 311.011,1318 341.54,1319 366.295,1320 366.295,1321 48.405,1322 8.834,1323 72.44,1324 72.44,1325 35,1326 12.977,1327 4.524,1328 3.585,1329 49.113,1330 175,1331 199,1332 0.134,1333 260.076,1334 440.89,1335 626.346,1336 98662,1338 24.485,1339 0.68,1340 0.58,1341 24.485,1342 20.884,1343 17.653,1344 0.431,1345 0.318,1346 12.864,1347 17.054,1348 12.589,1349 10.375,1350 17.653,1351 13.025,1352 15.928,1353 0.275,1354 0.175,1355 15.928,1356 10.149,1357 13.975,1358 0.175,1359 0.099,1360 13.975,1361 7.897,1362 11.965,1363 0.11,1364 0.053,1365 11.965,1366 5.821,1367 10.266,1368 0.07,1369 0.03,1370 10.266,1371 4.414,1372 0.213,1373 109.741,1374 0.188,1375 33.261,1376 0.359,1377 198,1378 463.273,1379 213.753,1380 455.769,1381 648.91,1382 432,1383 237,1384 502.794,1385 254.198,1386 510.211,1387 751.59,1388 482,1389 6.6}
{0 CHEMBL1997623,1 1.771,2 13.4,3 4.142,4 17.159,5 107.32,6 8.944,7 0.667,8 3.97,9 4.088,10 3.664,11 3.513,12 5.25,13 3.539,14 4.459,15 4.587,16 4.116,17 3.898,18 6.182,19 3.91,20 4.657,21 4.831,22 4.058,23 3.994,24 5.973,25 3.979,26 4.748,27 4.96,28 3.974,29 3.916,30 6.07,31 3.894,32 4.641,33 4.859,34 3.862,35 3.765,36 6.022,37 3.746,38 4.491,39 4.716,40 3.691,41 3.64,42 5.757,43 3.622,44 4.322,45 4.5,46 3.749,47 3.571,48 6.031,49 3.56,50 4.307,51 4.52,52 3.529,53 3.542,54 5.554,55 3.497,56 0.215,57 0.936,58 6.34,59 3.761,60 30.917,61 3.85,62 0.865,63 1.795,64 12.104,65 6.616,66 135.621,67 7.047,68 0.53,69 1.622,70 16.667,71 7.87,72 58.208,73 8.912,74 0.776,75 1.679,76 22.805,77 8.905,78 100.33,79 10.195,80 0.851,81 1.433,82 21.806,83 7.627,84 99.093,85 9.01,86 0.712,87 1.213,88 19.883,89 6.926,90 113.48,91 7.961,92 0.821,93 1.085,94 13.326,95 5.192,96 122.445,97 6.182,98 0.458,99 1.048,100 14.38,101 5.948,102 60.535,103 7.086,104 27,105 48,106 0.299,107 0.57,108 0.703,109 0.842,110 0.87,111 0.877,112 3.44,113 0.808,114 -5.26,115 -5.15,116 -4.81,119 45.7,132 1,142 11,143 4,144 2,146 1,153 1,159 1,163 1,164 1,165 1,168 1,172 13,175 2,178 2,179 2,180 6,182 1,183 16,185 1,188 2,190 1,191 1,193 7,196 13,198 1,200 6,205 10,208 7,210 2,213 6,218 7,221 4,223 1,225 4,230 7,233 6,235 1,238 1,243 6,246 8,248 2,250 2,253 1,255 5,258 8,260 2,264 1,268 1,269 1,272 6,276 1482,277 19.728,278 19.728,279 19.728,280 19.728,281 19.728,282 17.046,283 19.34,284 11.352,285 20.173,286 16.3,287 16.3,288 16.3,289 16.3,290 16.3,291 12.234,292 26.901,293 5.41,294 17.082,295 3.752,296 2.141,297 1.355,298 0.527,299 0.364,300 0.321,301 4.132,305 1,306 1,307 872,308 3.873,311 82.217,312 303.519,315 141.596,319 2.24,320 45.415,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 68,332 402,333 4.553,334 4.46,335 7.116,336 4.18,337 3.32,338 4.507,339 3.825,340 11.69,341 3.04,342 4.453,343 3.562,344 6.508,345 4.076,346 3.094,347 3.87,348 1.656,349 10.173,350 2.898,351 4.176,352 3.114,353 6.111,354 3.783,355 2.798,356 3.798,357 0.247,358 8.929,359 2.754,360 3.916,361 2.798,362 5.578,363 3.587,364 2.628,365 3.254,367 7.67,368 2.498,369 3.741,370 2.591,371 5.348,372 3.354,373 2.392,374 3.106,376 7.001,377 2.277,378 3.409,379 2.418,380 4.961,381 2.964,382 1.98,383 2.665,385 5.506,386 1.927,387 3.221,388 1.903,389 4.739,390 2.759,391 1.802,392 2.496,394 5.199,395 1.72,396 3.006,397 1.843,398 4.428,399 2.51,400 1.536,401 2.237,403 4.252,404 1.494,405 2.871,406 1.54,407 4.277,408 2.428,409 1.466,410 1.988,412 3.943,413 1.381,414 2.692,415 1.284,416 4.107,417 2.207,418 1.227,419 1.775,421 3.435,422 1.199,423 2.57,424 1.189,425 3.488,426 2.092,427 1.111,428 1.6,430 2.536,431 1.078,432 2.5,433 1,434 3.414,435 2,436 1,437 1.5,439 2.275,440 1,441 2.095,442 0.679,443 3.21,444 1.616,445 0.631,446 0.913,448 1.484,449 0.621,450 1.346,451 0.627,452 2.972,453 1.042,454 0.089,455 0.106,457 0.24,458 0.085,459 1.178,460 0.51,461 2.731,462 0.773,463 -0.227,464 -0.296,466 -0.564,467 -0.225,468 13.69,469 0.456,470 0.966,471 0.032,472 42.25,473 1.408,474 23,475 0.767,476 19.25,477 0.642,478 20.343,479 0.678,480 31.91,481 0.694,482 34.813,483 1.16,484 8.748,485 0.292,486 5.544,487 0.185,488 0.116,489 0.037,490 0.329,493 3,496 0.634,497 0.853,498 0.644,499 0.818,500 0.632,501 0.746,502 0.358,503 0.78,504 0.654,505 0.99,506 0.369,507 0.973,508 0.699,509 0.933,510 0.933,511 1.107,512 0.608,513 1.114,514 0.999,515 1.05,516 1.081,517 1.129,518 0.934,519 1.131,520 0.936,521 0.796,522 1.027,523 0.953,524 0.996,525 1.008,526 1.106,527 0.875,528 1.029,529 0.852,530 1.122,531 0.886,532 0.452,533 0.707,534 0.886,535 0.95,536 0.438,537 1.057,538 0.781,539 0.888,540 1.016,541 1.089,542 0.771,543 1.134,544 8,545 0.136,546 3.778,547 2.354,548 1.391,549 1.069,550 0.696,551 0.313,552 0.309,553 0.268,554 13626,555 49008,556 2.059,557 34.8,559 11,562 5,567 1.721,568 1.905,569 3.692,570 2.452,572 1,577 81.481,578 1.771,579 3.383,580 4.169,581 4.996,582 5.159,583 5.203,584 3.14,585 4.548,586 4.881,587 3.905,588 1698.55,589 8.469,590 24950,592 1,594 1,595 254.084,596 1.615,597 4.82,598 0.242,599 0.006,600 0.079,601 0.051,602 0.035,603 0.031,604 0.022,605 0.01,606 0.012,607 0.011,608 0.499,609 0.17,610 1,611 0.758,612 157.865,613 -0.073,614 0.061,615 -0.013,616 0.126,617 -0.129,618 0.106,619 0.456,620 0.261,621 0.088,622 -0.004,623 0.418,624 -0.091,625 -0.067,626 -0.124,627 -0.116,628 -0.156,629 -0.01,630 -0.156,631 -0.128,632 -0.151,633 -0.097,634 -0.15,635 -0.081,636 -0.115,637 -0.027,638 0.027,639 -0.004,640 0.007,641 -0.066,642 0.008,643 -0.168,644 -0.018,645 0.017,646 0.135,647 -0.16,648 0.158,649 0.402,650 0.164,651 0.012,652 -0.01,653 0.411,654 -0.121,655 -0.051,656 -0.061,657 -0.065,658 -0.103,659 -0.059,660 -0.092,661 5.728,662 5.119,663 0.7,664 32.36,665 1.034,666 1.144,667 4.029,668 16.231,669 0.688,670 3.526,671 3.892,672 4.111,673 4.344,674 4.533,675 4.585,676 4.754,677 4.771,678 4.804,679 4.913,680 8.008,681 0.688,682 411.42,683 3.526,684 5.094,685 5.938,686 6.825,687 7.684,688 8.57,689 9.434,690 10.318,691 11.187,692 12.069,693 10.9,697 1,700 2,701 1,703 1,708 2,709 11,710 1,711 1,714 6,716 22,727 1,735 46,737 23,738 3,739 33,741 49,742 21,743 19,744 7,745 11,748 4,749 5,753 1,754 1,759 1,762 20,763 1,767 1,772 1,776 1,780 1,781 3,783 16,784 8,785 5,786 9,792 5,797 0.75,798 1,807 1,815 1,816 3,819 1,843 3,849 3,851 30,852 1,860 2,865 1,873 3,874 2.2,877 1,881 15.75,882 8.045,883 6.333,884 2.45,886 4.139,887 1.53,888 1.046,889 5.205,890 11.943,891 3.829,892 4.48,893 5.063,894 5.668,895 6.191,896 6.486,897 6.959,898 7.326,899 7.565,900 7.98,901 0.889,902 46,903 11.494,905 5.443,906 8.292,907 20.057,909 16.456,911 2.792,912 83.75,915 1,916 129.482,917 138.389,918 102.245,920 25.145,921 44.88,923 138.389,924 154.627,925 147.125,927 36.022,928 137.136,929 41.808,930 83.659,931 4.276,932 129.482,933 7.76,934 129.482,935 240.634,936 70.025,939 129.482,940 70.025,943 64.916,944 159.055,945 16.663,947 174.362,948 127.39,949 138.389,952 137.242,953 26.391,954 104.239,955 52.685,956 119.585,957 129.482,958 172.27,959 138.389,961 0.598,962 0.334,963 0.171,964 0.09,965 24,966 11,967 0.061,968 3,969 1,970 1.095,971 4.211,972 260.405,973 0.095,974 21,975 138.452,981 19.956,982 7.825,983 4.483,984 1.58,985 155.607,986 17.145,987 4.137,988 2.728,991 2.04,993 85.582,994 440.141,995 45,1000 12.119,1004 -0.643,1007 47.56,1008 52.626,1009 0.321,1010 0.612,1011 0.755,1012 0.905,1013 0.934,1014 0.942,1015 5.078,1016 1.536,1017 5.969,1018 5.199,1019 4.575,1020 5.168,1021 3.244,1022 6.806,1023 4.488,1024 6.325,1025 1.466,1026 7.554,1027 4.252,1028 4.369,1029 5.066,1030 3.949,1031 7.921,1032 4.139,1033 7.656,1034 1.227,1035 9.246,1036 3.943,1037 6.248,1038 7.418,1039 5.464,1040 10.915,1041 6.052,1042 9.021,1043 1.111,1044 11.003,1045 3.435,1046 6.815,1047 8.094,1048 6.701,1049 12.832,1050 6.464,1051 10.415,1052 1,1053 12.801,1054 2.536,1055 8.231,1056 9.959,1057 8.065,1058 15.414,1059 7.891,1060 11.829,1061 0.631,1062 14.63,1063 2.275,1064 9.131,1065 11.02,1066 9.391,1067 17.641,1068 8.651,1069 13.259,1070 0.089,1071 16.481,1072 1.484,1073 10.38,1074 12.67,1075 10.736,1076 20.105,1077 9.876,1078 3.32,1079 -0.227,1080 18.35,1081 0.24,1082 11.428,1083 13.934,1084 12.075,1085 22.454,1086 10.803,1087 3.094,1088 11.69,1089 20.232,1090 -0.564,1091 12.616,1092 15.486,1093 13.417,1094 24.889,1095 11.941,1096 2.798,1097 10.173,1098 22.126,1099 4.507,1100 13.73,1101 16.858,1102 14.758,1103 27.289,1104 12.947,1105 2.628,1106 8.929,1107 24.029,1108 3.87,1109 14.902,1110 18.368,1111 16.1,1112 29.721,1113 14.05,1114 2.392,1115 7.67,1116 25.94,1117 3.798,1118 16.047,1119 19.797,1120 17.441,1121 32.144,1122 15.096,1123 1.98,1124 7.001,1125 27.858,1126 3.254,1127 17.216,1128 21.292,1129 18.783,1130 34.58,1131 16.186,1132 1.802,1133 5.506,1134 29.78,1135 3.106,1136 18.377,1137 22.751,1138 20.124,1139 37.015,1140 17.251,1141 12878,1142 24645,1143 21.671,1144 31.625,1145 50.952,1146 50.74,1147 51.058,1148 50.385,1149 50.15,1150 67.627,1151 11.457,1152 148.663,1153 47.943,1154 5.423,1155 6.46,1156 6.662,1157 5.225,1158 5.32,1159 7.507,1160 5.335,1161 18.668,1162 5.04,1163 16.601,1164 1.544,1165 1.538,1166 1.547,1167 1.527,1168 1.52,1169 2.049,1170 0.347,1171 4.505,1172 1.453,1173 4.121,1174 4.159,1175 4.087,1176 4.034,1177 8.513,1178 4.041,1179 3.951,1180 3.984,1181 3.911,1182 3.858,1183 7.999,1184 3.863,1185 3.871,1186 3.906,1187 3.821,1188 3.783,1189 7.999,1190 3.788,1191 3.49,1192 3.541,1193 3.463,1194 3.252,1195 7.431,1196 3.287,1197 3.361,1198 3.42,1199 3.322,1200 3.11,1201 5.243,1202 3.156,1203 3.253,1204 3.301,1205 3.208,1206 2.965,1207 4.813,1208 3.013,1209 2.956,1210 3.045,1211 2.843,1212 2.805,1213 4.717,1214 2.804,1215 2.881,1216 2.964,1217 2.756,1218 2.735,1219 4.675,1220 2.715,1221 0.138,1222 0.135,1223 0.216,1224 0.127,1225 0.101,1226 4.553,1227 0.137,1228 4.46,1229 0.116,1230 7.116,1231 0.354,1232 4.18,1233 0.092,1234 3.32,1235 4.507,1236 3.825,1237 11.69,1238 3.04,1239 2.004,1240 1.984,1241 2.083,1242 2.07,1243 1.22,1244 2.075,1245 1.905,1246 1.879,1247 2,1248 2.012,1249 1.099,1250 2.007,1251 1.789,1252 1.762,1253 1.889,1254 1.888,1255 0.997,1256 1.889,1257 1.396,1258 1.318,1259 1.537,1260 1.743,1261 0.472,1262 1.689,1263 1.275,1264 1.225,1265 1.391,1266 1.594,1267 0.337,1268 1.533,1269 1.08,1270 1.041,1271 1.205,1272 1.406,1273 0.259,1274 1.321,1275 0.979,1276 0.929,1277 1.181,1278 1.214,1279 0.218,1280 1.204,1281 0.886,1282 0.821,1283 1.168,1284 1.088,1285 0.212,1286 1.107,1287 4.205,1289 5.557,1290 2.398,1291 7.086,1292 4.727,1293 8.691,1294 6.804,1295 10.335,1299 38.332,1301 5.796,1305 4.993,1310 -4.478,1314 31.659,1315 81.481,1316 155.612,1317 191.765,1318 229.819,1319 237.329,1320 239.329,1321 62.128,1322 7.803,1323 95.83,1324 95.83,1325 23,1326 12.606,1327 4.585,1328 3.7,1329 47.5,1330 147,1331 124,1332 0.156,1333 191.997,1334 331.78,1335 460.233,1336 29451,1337 6.5,1338 21.303,1339 0.71,1340 0.514,1341 18.803,1342 15.418,1343 14.292,1344 0.433,1345 0.269,1346 8.724,1347 13.63,1348 8.621,1349 7.109,1350 13.081,1351 8.888,1352 14.005,1353 0.292,1354 0.138,1355 12.047,1356 6.604,1357 10.843,1358 0.181,1359 0.075,1360 9.88,1361 4.509,1362 8.945,1363 0.118,1364 0.04,1365 8.427,1366 3.025,1367 7.025,1368 0.076,1369 0.021,1370 6.385,1371 1.957,1372 0.254,1373 90.592,1374 0.215,1375 28.978,1376 0.403,1377 162,1378 662.025,1379 190.029,1380 567.668,1381 747.36,1382 524,1383 189,1384 535.44,1385 209.741,1386 525.265,1387 782.48,1388 493,1389 5.1}
{0 CHEMBL1997759,1 1.572,2 10.692,3 3.061,4 9.368,5 98.186,6 8.2,7 0.759,8 3.864,9 3.97,10 3.523,11 3.436,12 5.069,13 3.44,14 4.331,15 4.468,16 3.86,17 3.787,18 5.515,19 3.781,20 4.509,21 4.678,22 3.909,23 3.87,24 5.666,25 3.85,26 4.549,27 4.734,28 3.896,29 3.849,30 5.801,31 3.816,32 4.543,33 4.748,34 3.771,35 3.813,36 5.685,37 3.767,38 4.458,39 4.656,40 3.705,41 3.72,42 5.669,43 3.676,44 4.352,45 4.576,46 3.536,47 3.556,48 5.488,49 3.513,50 4.165,51 4.345,52 3.406,53 3.391,54 5.414,55 3.36,56 0.06,57 0.625,58 6.876,59 3.444,60 6.049,61 4.042,62 0.208,63 0.972,64 12.701,65 5.457,66 18.462,67 6.464,68 0.22,69 1.146,70 16.537,71 6.613,72 24.24,73 8.057,74 0.453,75 1.181,76 18.163,77 6.85,78 40.644,79 8.659,80 0.281,81 1.138,82 19.149,83 7.066,84 34.709,85 8.841,86 0.324,87 1.053,88 17.21,89 6.318,90 39.512,91 7.975,92 0.246,93 0.938,94 16.589,95 5.691,96 32.777,97 7.305,98 0.38,99 0.747,100 13.091,101 4.532,102 39.648,103 5.265,104 6,105 40,106 0.27,107 0.578,108 0.72,109 0.848,110 0.872,111 0.872,112 3.304,113 0.838,114 -4.32,115 -4.25,116 -4.01,119 47.6,124 1,142 10,143 2,144 2,145 2,152 1,158 1,161 1,166 1,172 8,174 1,175 9,178 1,180 3,183 10,187 1,188 5,193 1,196 6,199 3,200 8,203 4,205 1,208 6,213 6,221 4,224 1,225 13,230 2,233 3,238 6,243 2,246 1,249 3,250 5,255 2,258 4,264 1,269 1,272 6,276 990,277 18.077,278 18.077,279 18.077,280 18.077,281 18.077,282 15.424,283 11.833,284 10.765,285 18.435,286 14.281,287 14.281,288 14.281,289 14.281,290 14.281,291 10.266,292 17.048,293 5.025,294 14.765,295 3.82,296 2.024,297 1.19,298 0.447,299 0.304,300 0.304,301 4.005,304 1,305 1,306 1,307 608,308 2.915,311 53.266,312 221.97,315 100.462,319 1.716,320 20.86,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 56,332 278,333 4.679,334 3.615,335 6.868,336 4.206,337 3.245,338 4.633,339 1.058,340 11.451,341 3.121,342 4.166,343 3.117,344 6.282,345 3.804,346 2.816,347 3.727,348 0.86,349 9.372,350 2.779,351 4.044,352 2.89,353 5.65,354 3.62,355 2.651,356 3.646,358 7.798,359 2.563,360 3.671,361 2.554,362 5.438,363 3.237,364 2.266,365 3.089,367 6.783,368 2.195,369 3.348,370 2.304,371 4.977,372 2.941,373 1.984,374 2.636,376 5.759,377 1.886,378 3.131,379 1.877,380 4.614,381 2.659,382 1.669,383 2.358,385 4.449,386 1.645,387 3.046,388 1.549,389 4.078,390 2.49,391 1.546,392 2.313,394 3.655,395 1.456,396 2.722,397 1.358,398 3.882,399 2.242,400 1.254,401 1.812,403 2.93,404 1.236,405 2.663,406 1.333,407 3.528,408 2.169,409 1.176,410 1.733,412 2.665,413 1.165,414 2.514,415 1.098,416 3.487,417 2,418 1,419 1.5,421 2.491,422 1,423 2.5,424 1,425 3.252,426 1.965,427 1,428 1.489,430 2.136,431 0.96,432 2.058,433 0.937,434 3.247,435 1.543,436 0.574,437 0.831,439 1.477,440 0.554,441 1.584,442 0.679,443 2.753,444 1.294,445 0.429,446 0.481,448 0.624,449 0.368,450 1.176,451 0.427,452 2.641,453 0.788,454 -0.208,455 -0.271,457 -0.533,458 -0.205,459 1.006,460 -0.365,461 2.455,462 0.554,463 -0.422,464 -0.583,466 -1.015,467 -0.41,468 12.267,469 0.472,470 0.5,471 0.019,472 39.5,473 1.519,474 22.5,475 0.865,476 17,477 0.654,478 15.747,479 0.606,480 26.133,481 0.622,482 28.83,483 1.109,484 8.153,485 0.314,486 4.605,487 0.177,488 0.068,490 0.318,496 0.742,497 1.155,498 0.683,499 0.98,500 0.604,501 0.849,502 0.99,503 1.154,504 0.832,505 0.952,506 0.71,507 0.885,508 1.078,509 1.204,510 0.927,511 1.033,512 0.967,513 0.966,514 0.839,515 0.932,516 0.948,517 0.961,518 1.035,519 0.971,520 1.19,521 1.039,522 1.012,523 0.952,524 1.288,525 0.945,526 1.033,527 1.119,528 1.026,529 1.022,530 1.26,531 1.011,532 1.2,533 1.005,534 0.978,535 0.902,536 1.284,537 0.886,538 1.553,539 0.902,540 1.205,541 0.903,542 2.12,543 0.986,544 4,545 0.062,546 2.667,547 1.847,548 1.152,549 0.736,550 0.565,551 0.232,552 0.196,553 0.126,554 8150,555 22385,556 2.148,557 38.1,559 13,561 2,562 1,567 1.691,568 2.053,569 3.401,570 -0.332,571 1,572 1,577 66.039,578 1.572,579 3.369,580 4.202,581 4.946,582 5.089,583 5.089,584 2.888,585 4.47,586 4.67,587 3.526,588 1146.06,589 8.094,590 14108.4,591 1,592 1,594 1,595 226.477,596 1.239,597 4.65,598 0.138,599 0.004,600 0.067,601 0.045,602 0.03,603 0.021,604 0.018,605 0.009,606 0.009,607 0.007,608 0.346,609 0.17,610 1,611 0.646,612 126.819,613 0.014,614 -0.073,615 0.059,616 -0.051,617 -0.061,618 -0.002,619 -0.013,620 -0.096,621 0.006,622 -0.022,623 -0.017,624 -0.016,625 -0.096,626 -0.168,627 -0.024,628 -0.095,629 -0.047,630 -0.058,631 0.243,632 0.114,633 0.001,634 -0.03,635 0.159,636 -0.059,637 -0.16,638 -0.045,639 -0.028,640 0.01,641 -0.087,642 0.017,643 0.008,644 -0.109,645 -0.051,646 -0.074,647 0.02,648 -0.066,649 -0.142,650 -0.003,651 0.052,652 0.051,653 -0.039,654 0.089,655 -0.04,656 0.099,657 -0.194,658 0.035,659 -0.25,660 -0.086,661 1.939,662 5.691,663 0.808,664 23.473,665 1.009,666 1.117,667 3.087,668 9.53,669 0.702,670 3.401,671 3.714,672 4.025,673 4.317,674 4.522,675 4.585,676 4.736,677 4.86,678 4.89,679 4.97,680 6.206,681 0.683,682 344.4,683 3.401,684 4.934,685 5.796,686 6.678,687 7.557,688 8.449,689 9.336,690 10.232,691 11.124,692 12.024,693 9.5,700 1,701 1,703 2,708 1,709 12,710 2,714 5,716 22,723 1,733 1,735 42,737 23,738 2,739 29,741 45,742 20,743 18,744 3,745 9,746 1,748 4,749 5,762 19,763 1,767 1,772 1,776 1,779 1,780 1,783 16,784 5,785 1,786 6,792 4,797 0.75,798 2,807 1,810 1,815 1,816 3,819 1,843 3,847 1,851 26,860 1,861 1,874 4.8,877 1,879 1,881 12.667,882 7.933,883 5.806,884 2.33,886 4.199,887 1.556,888 1.021,889 4.38,890 11.749,891 3.738,892 4.373,893 5.03,894 5.679,895 6.219,896 6.531,897 6.996,898 7.444,899 7.705,900 8.088,901 1,902 41,903 9.552,905 4.054,906 7.756,907 18.021,909 14.514,911 2.256,912 58.667,915 1,916 176.567,917 147.288,918 52.623,920 36.145,923 147.288,924 212.711,925 52.623,926 10.883,927 18.011,928 94.762,929 88.556,930 44.63,931 2.757,932 153.024,934 176.567,935 199.912,936 36.145,939 176.567,940 36.145,943 38.985,944 127.478,945 33.449,947 176.567,948 88.768,949 147.288,952 176.567,953 23.548,954 124.904,955 18.011,956 69.593,957 176.567,958 88.768,959 147.288,961 0.572,962 0.347,963 0.197,964 0.105,965 20,966 8,967 0.089,968 4,969 1,970 1.095,971 3.832,972 223.364,973 0.095,974 21,975 118.211,981 16.308,982 6.984,983 3.203,984 0.506,985 87.604,986 22.14,987 8.699,991 3.601,993 18.011,994 412.623,995 41,1000 12.691,1004 -0.272,1007 42.363,1008 46.903,1009 0.292,1010 0.625,1011 0.779,1012 0.917,1013 0.944,1014 0.944,1015 4.945,1016 1.254,1017 5.765,1018 3.655,1019 4.394,1020 5.059,1021 1.552,1022 6.586,1023 4.332,1024 6.16,1025 1.176,1026 7.323,1027 2.93,1028 3.892,1029 4.796,1031 7.516,1032 3.802,1033 7.468,1034 1,1035 8.987,1036 2.665,1037 5.984,1038 7.321,1039 1.527,1040 10.657,1041 5.86,1042 8.819,1043 1,1044 10.715,1045 2.491,1046 6.365,1047 7.961,1049 12.47,1050 6.205,1051 10.205,1052 0.574,1053 12.487,1054 2.136,1055 7.882,1056 9.902,1057 1.53,1058 15.123,1059 7.694,1060 11.619,1061 0.429,1062 14.29,1063 1.477,1064 8.675,1065 10.987,1067 17.289,1068 8.447,1069 13.053,1070 -0.208,1071 16.115,1072 0.624,1073 9.961,1074 12.68,1075 1.557,1076 19.787,1077 9.704,1078 3.245,1079 -0.422,1080 17.956,1081 -0.533,1082 10.949,1083 13.991,1085 22.101,1086 10.649,1087 2.816,1088 11.451,1089 19.811,1090 -1.015,1091 12.145,1092 15.579,1093 1.603,1094 24.55,1095 11.813,1096 2.651,1097 9.372,1098 21.676,1099 4.633,1100 13.224,1101 17.001,1103 26.928,1104 12.849,1105 2.266,1106 7.798,1107 23.55,1108 3.727,1109 14.39,1110 18.547,1111 1.663,1112 29.362,1113 13.979,1114 1.984,1115 6.783,1116 25.43,1117 3.646,1118 15.511,1119 20.024,1121 31.769,1122 15.058,1123 1.669,1124 5.759,1125 27.317,1126 3.089,1127 16.669,1128 21.556,1129 1.734,1130 34.2,1131 16.178,1132 1.546,1133 4.449,1134 29.208,1135 2.636,1136 17.812,1137 23.06,1139 36.621,1140 17.279,1141 7713,1142 12927,1143 19.879,1144 29.5,1145 43.496,1146 44.726,1147 44.399,1148 43.148,1149 43.222,1150 60.495,1151 3.837,1152 123.181,1153 41.855,1154 5.516,1155 5.615,1156 6.67,1157 5.277,1158 5.245,1159 7.633,1160 2.117,1161 18.974,1162 5.121,1163 9.212,1164 1.5,1165 1.542,1166 1.531,1167 1.488,1168 1.49,1169 2.086,1170 0.132,1171 4.248,1172 1.443,1173 4.136,1174 4.184,1175 4.116,1176 3.986,1177 7.429,1178 4.009,1179 3.908,1180 3.935,1181 3.852,1182 3.824,1183 5.115,1184 3.826,1185 3.829,1186 3.863,1187 3.764,1188 3.738,1189 4.87,1190 3.745,1191 3.446,1192 3.479,1193 3.388,1194 3.304,1195 4.722,1196 3.314,1197 3.258,1198 3.321,1199 3.121,1200 2.986,1201 4.415,1202 3.006,1203 3.13,1204 3.2,1205 3.01,1206 2.874,1207 4.393,1208 2.896,1209 2.913,1210 2.973,1211 2.833,1212 2.773,1213 3.919,1214 2.778,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.827,1220 2.715,1221 0.161,1222 0.125,1223 0.237,1224 0.145,1225 0.112,1226 4.679,1227 0.16,1228 3.615,1229 0.036,1230 6.868,1231 0.395,1232 4.206,1233 0.108,1234 3.245,1235 4.633,1236 1.058,1237 11.451,1238 3.121,1239 1.968,1240 1.938,1241 2.057,1242 2.098,1243 1.154,1244 2.08,1245 1.884,1246 1.859,1247 1.989,1248 1.998,1249 1.065,1250 1.995,1251 1.726,1252 1.689,1253 1.82,1254 1.866,1255 0.882,1256 1.862,1257 1.479,1258 1.447,1259 1.588,1260 1.681,1261 0.618,1262 1.648,1263 1.199,1264 1.127,1265 1.554,1266 1.509,1267 0.572,1268 1.526,1269 1.016,1270 0.945,1271 1.213,1272 1.314,1273 0.231,1274 1.285,1275 0.893,1276 0.826,1277 1.181,1278 1.104,1279 0.218,1280 1.11,1281 0.886,1282 0.821,1283 1.103,1284 1.062,1285 0.171,1286 1.107,1287 4.078,1289 5.389,1290 2.398,1291 6.909,1292 4.727,1293 8.521,1294 6.862,1295 10.181,1297 1.585,1305 2.858,1306 5.182,1314 28.676,1315 66.039,1316 141.484,1317 176.503,1318 207.722,1319 213.722,1320 213.722,1321 35.641,1322 7.55,1323 68.52,1324 68.52,1325 23,1326 12.548,1327 4.585,1328 3.7,1329 38.046,1330 96,1331 100,1332 0.195,1333 176.012,1334 294.06,1335 421.229,1336 19952,1338 17.933,1339 0.69,1340 0.542,1341 17.933,1342 14.086,1343 12.758,1344 0.44,1345 0.279,1346 7.971,1347 12.25,1348 7.791,1349 6.497,1350 12.758,1351 8.096,1352 11.082,1353 0.277,1354 0.142,1355 11.082,1356 5.676,1357 9.718,1358 0.177,1359 0.074,1360 9.718,1361 4.043,1362 8.435,1363 0.114,1364 0.038,1365 8.435,1366 2.778,1367 6.703,1368 0.074,1369 0.02,1370 6.703,1371 1.808,1372 0.303,1373 80.097,1374 0.224,1375 25.036,1376 0.539,1377 138,1378 420.739,1379 151.391,1380 408.334,1381 567.42,1382 384,1383 164,1384 428.418,1385 178.448,1386 434.07,1387 634.03,1388 408,1389 5.1}
{0 CHEMBL1997764,1 1.508,2 11.462,3 3.319,4 11.016,5 99.795,6 7.986,7 0.759,8 3.876,9 3.982,10 3.51,11 3.475,12 5.059,13 3.467,14 4.345,15 4.479,16 3.846,17 3.845,18 5.508,19 3.82,20 4.537,21 4.705,22 3.879,23 3.932,24 5.676,25 3.884,26 4.569,27 4.759,28 3.776,29 3.88,30 5.707,31 3.816,32 4.549,33 4.767,34 3.695,35 3.803,36 5.657,37 3.727,38 4.424,39 4.642,40 3.628,41 3.705,42 5.531,43 3.635,44 4.318,45 4.527,46 3.532,47 3.589,48 5.466,49 3.531,50 4.229,51 4.437,52 3.37,53 3.47,54 5.378,55 3.414,56 0.029,57 0.599,58 7.426,59 3.604,60 6.385,61 4.321,62 0.178,63 0.942,64 13.393,65 5.963,66 18.075,67 7.212,68 0.158,69 1.13,70 17.481,71 7.465,72 24.15,73 9.297,74 0.2,75 1.155,76 19.203,77 7.594,78 33.514,79 9.503,80 0.273,81 1.127,82 20.191,83 7.744,84 42.352,85 10.137,86 0.293,87 1.012,88 17.53,89 6.61,90 30.825,91 8.911,92 0.194,93 0.908,94 15.482,95 5.785,96 25.805,97 7.522,98 0.226,99 0.8,100 14.785,101 5.268,102 37.362,103 6.429,104 6,105 40,106 0.257,107 0.578,108 0.717,109 0.817,110 0.844,111 0.844,112 3.304,113 0.851,114 -4.23,115 -4.17,116 -3.94,119 48.8,124 1,142 10,143 4,144 2,145 1,151 1,158 1,161 1,172 13,175 4,178 2,180 4,183 14,188 6,191 1,193 5,196 10,200 5,205 5,208 6,212 1,213 4,217 1,218 3,221 6,224 1,225 5,228 1,230 3,233 6,238 4,241 1,243 3,246 5,250 3,255 3,258 6,263 1,264 3,269 2,272 8,276 1002,277 18.024,278 18.024,279 18.024,280 18.024,281 18.024,282 15.391,283 11.833,284 10.663,285 18.346,286 14.264,287 14.264,288 14.264,289 14.264,290 14.264,291 10.268,292 15.343,293 5,294 14.678,295 3.918,296 2.041,297 1.226,298 0.64,299 0.483,300 0.483,301 4.005,304 1,305 1,306 1,307 655,308 2.915,311 60.088,312 233.428,315 106.443,319 1.692,320 19.302,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 55.5,332 298,333 4.61,334 3.573,335 6.718,336 4.154,337 3.171,338 4.555,339 1.058,340 10.945,341 3.119,342 4.202,343 3.168,344 6.06,345 3.842,346 2.845,347 3.775,348 0.86,349 8.729,350 2.834,351 3.953,352 2.824,353 5.762,354 3.524,355 2.548,356 3.536,358 7.831,359 2.489,360 3.753,361 2.57,362 5.323,363 3.345,364 2.39,365 3.155,367 6.854,368 2.272,369 3.541,370 2.275,371 5.199,372 3.115,373 2.15,374 2.922,376 6.435,377 2.069,378 3.219,379 1.98,380 4.635,381 2.713,382 1.741,383 2.556,385 4.65,386 1.689,387 2.838,388 1.742,389 4.108,390 2.342,391 1.362,392 1.977,394 3.543,395 1.325,396 2.789,397 1.341,398 3.994,399 2.289,400 1.301,401 1.836,403 3.228,404 1.277,405 2.558,406 1.1,407 3.5,408 2.029,409 1.061,410 1.577,412 2.581,413 1.024,414 2.5,415 1.066,416 3.414,417 2,418 1,419 1.5,421 2.275,422 1,423 2.5,424 1,425 3.247,426 2,427 1,428 1.5,430 2.136,431 1,432 2.058,433 1,434 3.215,435 1.525,436 0.59,437 0.849,439 1.442,440 0.549,441 1.646,442 0.689,443 2.869,444 1.35,445 0.472,446 0.537,448 0.735,449 0.41,450 1.212,451 0.374,452 2.586,453 0.809,454 -0.163,455 -0.209,457 -0.411,458 -0.157,459 0.815,460 -0.138,461 2.366,462 0.404,463 -0.561,464 -0.721,466 -1.094,467 -0.531,468 12.367,469 0.476,470 0.516,471 0.02,472 39.25,473 1.51,474 22.5,475 0.865,476 16.75,477 0.644,478 15.807,479 0.608,480 26.033,481 0.605,482 28.198,483 1.085,484 8.072,485 0.31,486 4.67,487 0.18,488 0.067,490 0.323,496 0.814,497 1.111,498 0.723,499 0.924,500 0.624,501 0.822,502 0.944,503 0.991,504 0.856,505 0.907,506 0.683,507 0.879,508 0.983,509 1.141,510 0.968,511 1.075,512 0.915,513 1.032,514 1.172,515 1.134,516 1.1,517 1.078,518 1.269,519 1.074,520 0.948,521 1.013,522 0.967,523 0.968,524 1.365,525 0.972,526 0.649,527 1.014,528 0.89,529 0.931,530 0.693,531 0.931,532 0.999,533 1.07,534 0.977,535 0.993,536 1.041,537 0.972,538 1.574,539 0.853,540 1.127,541 0.84,542 1.995,543 0.894,544 4.5,545 0.087,546 2.889,547 1.444,548 1.232,549 0.733,550 0.389,551 0.37,552 0.239,553 0.109,554 8526,555 22819,556 2.148,557 39.5,559 13,560 1,561 1,562 2,567 1.689,568 2.053,569 3.486,570 0.213,571 1,572 1,577 64.849,578 1.508,579 3.386,580 4.2,581 4.787,582 4.944,583 4.944,584 2.936,585 4.21,586 4.67,587 3.604,588 1171.38,589 8.083,590 14662.1,592 1,594 1,595 233.329,596 1.239,597 4.65,598 0.155,599 0.005,600 0.072,601 0.036,602 0.035,603 0.023,604 0.013,605 0.014,606 0.01,607 0.005,608 0.369,609 0.17,610 1,611 0.646,612 127.862,613 -0.06,614 -0.049,615 0.041,616 0.003,617 -0.076,618 0.034,619 0.01,620 0.043,621 -0.013,622 0.034,623 0.002,624 0.006,625 -0.054,626 -0.135,627 -0.067,628 -0.121,629 -0.008,630 -0.104,631 -0.151,632 -0.128,633 -0.148,634 -0.125,635 -0.092,636 -0.133,637 0.029,638 -0.026,639 0.036,640 0.005,641 -0.046,642 0.013,643 0.218,644 0.006,645 0.096,646 0.028,647 0.156,648 0.045,649 0.005,650 -0.042,651 0.007,652 -0.047,653 0.057,654 -0.02,655 -0.264,656 0.152,657 -0.103,658 0.115,659 -0.24,660 0.053,661 1.856,662 5.455,663 0.808,664 23.509,665 1.003,666 1.112,667 3.002,668 9.012,669 0.704,670 3.401,671 3.714,672 4.007,673 4.263,674 4.489,675 4.564,676 4.691,677 4.796,678 4.844,679 4.92,680 6.495,681 0.679,682 343.41,683 3.401,684 4.934,685 5.79,686 6.663,687 7.535,688 8.416,689 9.295,690 10.18,691 11.064,692 11.952,693 7,700 1,701 1,703 1,708 2,709 12,710 1,711 1,714 5,716 22,723 1,733 1,735 43,737 23,738 2,739 29,741 46,742 21,743 19,744 3,745 9,746 1,748 4,749 5,762 20,763 1,767 1,772 1,776 1,779 1,780 1,783 17,784 4,785 2,786 5,792 3,797 0.75,798 2,809 1,811 1,815 1,816 3,819 1,843 3,847 1,851 26,860 1,861 1,874 4.7,877 1,879 1,881 12.667,882 8.033,883 5.778,884 2.388,886 4.017,887 1.532,888 1.032,889 4.422,890 11.563,891 3.738,892 4.373,893 5.015,894 5.635,895 6.195,896 6.517,897 6.964,898 7.382,899 7.66,900 8.05,901 0.875,902 40,903 9.556,905 4.053,906 7.724,907 18.144,909 14.734,911 2.224,912 57.833,915 1,916 176.567,917 150.29,918 51.582,920 36.145,923 150.29,924 212.711,925 51.582,926 10.883,927 18.011,928 103.81,929 60.122,930 56.963,931 11.771,932 153.024,934 176.567,935 201.872,936 36.145,939 176.567,940 36.145,943 45.559,944 139.527,945 16.786,947 176.567,948 87.727,949 150.29,952 176.567,953 26.55,954 123.74,955 34.796,956 52.93,957 176.567,958 87.727,959 150.29,961 0.576,962 0.344,963 0.184,964 0.1,965 20,966 8,967 0.087,968 4,969 1,970 1.095,971 3.89,972 219.656,973 0.095,974 21,975 112.211,981 16.369,982 7.023,983 3.354,984 1.745,985 70.941,986 22.56,987 4.411,988 3.174,991 4.065,993 34.796,994 414.583,995 41,1000 12.455,1004 -0.189,1007 43.145,1008 47.82,1009 0.278,1010 0.624,1011 0.774,1012 0.882,1013 0.911,1014 0.911,1015 4.945,1016 1.301,1017 5.759,1018 3.543,1019 4.394,1020 5.059,1021 1.552,1022 6.558,1023 4.345,1024 6.16,1025 1.061,1026 7.307,1027 3.228,1028 3.892,1029 4.796,1031 7.434,1032 3.84,1033 7.466,1034 1,1035 8.956,1036 2.581,1037 5.974,1038 7.312,1039 1.527,1040 10.535,1041 5.888,1042 8.812,1043 1,1044 10.665,1045 2.275,1046 6.33,1047 7.925,1049 12.272,1050 6.242,1051 10.191,1052 0.59,1053 12.415,1054 2.136,1055 7.84,1056 9.864,1057 1.53,1058 14.882,1059 7.728,1060 11.594,1061 0.472,1062 14.192,1063 1.442,1064 8.595,1065 10.909,1067 16.98,1068 8.479,1069 13.016,1070 -0.163,1071 15.99,1072 0.735,1073 9.872,1074 12.599,1075 1.557,1076 19.431,1077 9.738,1078 3.171,1079 -0.561,1080 17.803,1081 -0.411,1082 10.821,1083 13.871,1085 21.689,1086 10.679,1087 2.845,1088 10.945,1089 19.629,1090 -1.094,1091 12.002,1092 15.45,1093 1.603,1094 24.091,1095 11.845,1096 2.548,1097 8.729,1098 21.466,1099 4.555,1100 13.046,1101 16.84,1103 26.42,1104 12.878,1105 2.39,1106 7.831,1107 23.311,1108 3.775,1109 14.192,1110 18.373,1111 1.663,1112 28.808,1113 14.009,1114 2.15,1115 6.854,1116 25.164,1117 3.536,1118 15.282,1119 19.823,1121 31.169,1122 15.086,1123 1.741,1124 6.435,1125 27.022,1126 3.155,1127 16.418,1128 21.339,1129 1.734,1130 33.555,1131 16.207,1132 1.362,1133 4.65,1134 28.887,1135 2.922,1136 17.532,1137 22.82,1139 35.931,1140 17.306,1141 8040,1142 13272,1143 19.879,1144 30.256,1145 43.575,1146 44.652,1147 44.365,1148 43.177,1149 43.26,1150 60.55,1151 3.837,1152 122.766,1153 42.115,1154 5.437,1155 5.573,1156 6.52,1157 5.209,1158 5.171,1159 7.555,1160 2.117,1161 18.073,1162 5.119,1163 9.406,1164 1.503,1165 1.54,1166 1.53,1167 1.489,1168 1.492,1169 2.088,1170 0.132,1171 4.233,1172 1.452,1173 4.138,1174 4.174,1175 4.105,1176 4.043,1177 7.429,1178 4.053,1179 3.924,1180 3.943,1181 3.873,1182 3.846,1183 5.067,1184 3.849,1185 3.822,1186 3.857,1187 3.753,1188 3.745,1189 4.852,1190 3.743,1191 3.491,1192 3.541,1193 3.43,1194 3.302,1195 4.725,1196 3.324,1197 3.278,1198 3.329,1199 3.175,1200 3.051,1201 4.377,1202 3.076,1203 3.078,1204 3.133,1205 2.918,1206 2.827,1207 4.316,1208 2.833,1209 2.911,1210 2.976,1211 2.817,1212 2.738,1213 3.959,1214 2.748,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.674,1220 2.715,1221 0.159,1222 0.123,1223 0.232,1224 0.143,1225 0.109,1226 4.61,1227 0.157,1228 3.573,1229 0.036,1230 6.718,1231 0.377,1232 4.154,1233 0.108,1234 3.171,1235 4.555,1236 1.058,1237 10.945,1238 3.119,1239 1.959,1240 1.938,1241 2.048,1242 2.051,1243 1.168,1244 2.044,1245 1.897,1246 1.877,1247 1.998,1248 1.989,1249 1.077,1250 1.995,1251 1.805,1252 1.77,1253 1.896,1254 1.94,1255 0.971,1256 1.932,1257 1.421,1258 1.361,1259 1.578,1260 1.649,1261 0.601,1262 1.632,1263 1.271,1264 1.236,1265 1.573,1266 1.55,1267 0.577,1268 1.549,1269 1.129,1270 1.056,1271 1.308,1272 1.392,1273 0.364,1274 1.38,1275 0.909,1276 0.864,1277 1.181,1278 1.098,1279 0.218,1280 1.107,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.078,1289 5.389,1290 2.398,1291 6.903,1292 4.727,1293 8.502,1294 6.843,1295 10.145,1297 1.594,1305 2.9,1306 5.117,1314 29.181,1315 64.849,1316 145.581,1317 180.6,1318 205.82,1319 212.574,1320 212.574,1321 34.816,1322 7.546,1323 67.01,1324 67.01,1325 23,1326 12.483,1327 4.585,1328 3.7,1329 38.15,1330 101,1331 114,1332 0.184,1333 178.81,1334 300.36,1335 428.056,1336 19953,1338 17.933,1339 0.69,1340 0.546,1341 17.933,1342 14.192,1343 12.742,1344 0.439,1345 0.284,1346 8.117,1347 12.324,1348 7.918,1349 6.603,1350 12.742,1351 8.224,1352 11.144,1353 0.279,1354 0.147,1355 11.144,1356 5.871,1357 9.811,1358 0.182,1359 0.078,1360 9.811,1361 4.226,1362 8.108,1363 0.116,1364 0.041,1365 8.108,1366 2.874,1367 6.489,1368 0.074,1369 0.021,1370 6.489,1371 1.889,1372 0.291,1373 79.458,1374 0.224,1375 25.245,1376 0.499,1377 138,1378 397.782,1379 148.644,1380 389.257,1381 539.81,1382 366,1383 163,1384 401.872,1385 173.674,1386 411.833,1387 599.11,1388 387,1389 6.5}
{0 CHEMBL1997822,1 1.666,2 10.767,3 4.336,4 18.797,5 124.154,6 8.849,7 0.765,8 4.013,9 4.1,10 3.897,11 3.738,12 5.119,13 3.665,14 4.52,15 4.635,16 4.221,17 4.148,18 5.805,19 4.073,20 4.732,21 4.87,22 4.261,23 4.267,24 5.919,25 4.174,26 4.824,27 4.993,28 4.297,29 4.3,30 5.937,31 4.177,32 4.791,33 4.975,34 4.171,35 4.248,36 5.852,37 4.102,38 4.712,39 4.896,40 4.201,41 4.164,42 5.805,43 4.028,44 4.663,45 4.844,46 4.181,47 4.067,48 5.865,49 3.952,50 4.581,51 4.775,52 3.888,53 3.937,54 5.715,55 3.816,56 0.084,57 0.689,58 10.087,59 4.769,60 17.521,61 5.03,62 0.2,63 1.127,64 19.463,65 8.647,66 45.893,67 9.533,68 0.229,69 1.382,70 21.91,71 9.913,72 45.061,73 10.711,74 0.214,75 1.534,76 27.545,77 11.807,78 41.593,79 13.592,80 0.197,81 1.505,82 32.162,83 12.824,84 36.88,85 14.283,86 0.197,87 1.411,88 29.484,89 11.305,90 37.961,91 12.406,92 0.338,93 1.357,94 26.383,95 10.1,96 47.226,97 11.054,98 0.21,99 1.252,100 24.986,101 9.56,102 32.021,103 10.861,104 27,105 52,106 0.274,107 0.622,108 0.783,109 0.87,110 0.877,111 0.877,112 3.441,113 1.071,114 -4.66,115 -4.58,116 -4.31,119 46.9,120 1,124 1,142 8,143 6,144 1,145 1,147 1,151 1,152 3,163 1,164 1,165 1,172 12,174 1,175 2,177 1,178 1,180 5,183 19,185 1,188 6,193 3,196 16,198 1,200 8,205 4,208 15,210 3,213 7,218 4,221 12,223 3,225 3,230 5,233 11,235 4,237 2,238 5,243 3,246 10,248 2,250 2,253 1,254 1,255 2,257 1,258 9,260 1,264 3,266 2,267 2,269 2,272 7,274 1,276 1404,277 19.867,278 19.867,279 19.867,280 19.867,281 19.867,282 16.611,283 8.74,284 11.181,285 20.417,286 16.799,287 16.799,288 16.799,289 16.799,290 16.799,291 11.766,292 6.455,293 5.304,294 17.726,295 3.949,296 1.826,297 0.847,298 0.317,299 0.276,300 0.276,301 4.145,305 1,306 1,307 714,308 3.391,311 120.408,312 225.22,315 216.318,319 1.849,320 30.234,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 63.5,332 323,333 4.815,334 5.18,335 7.121,336 4.296,337 3.35,338 4.742,339 2.95,340 12.003,341 3.217,342 4.741,343 3.33,344 7.01,345 4.18,346 3.288,347 4.655,349 11.679,350 2.963,351 4.475,352 3.034,353 6.371,354 3.98,355 3.002,356 4.42,358 9.781,359 2.856,360 4.118,361 2.82,362 6.214,363 3.723,364 2.738,365 3.701,367 9.276,368 2.661,369 3.758,370 2.578,371 5.701,372 3.33,373 2.357,374 3.25,376 7.5,377 2.288,378 3.455,379 2.381,380 5.117,381 2.92,382 2,383 2.862,385 5.845,386 1.877,387 3.348,388 2.106,389 4.819,390 2.902,391 1.925,392 2.698,394 5.339,395 1.843,396 3.158,397 1.935,398 4.667,399 2.652,400 1.701,401 2.431,403 4.822,404 1.596,405 3.01,406 1.58,407 4.48,408 2.5,409 1.517,410 2.255,412 4.352,413 1.488,414 2.813,415 1.517,416 4.357,417 2.292,418 1.316,419 1.944,421 3.859,422 1.277,423 2.607,424 1.193,425 4.015,426 2.098,427 1.109,428 1.651,430 2.92,431 1.093,432 2.552,433 1.063,434 3.61,435 2.005,436 1.058,437 1.578,439 2.516,440 0.993,441 2.237,442 0.813,443 3.469,444 1.623,445 0.78,446 1.121,448 2.028,449 0.64,450 1.886,451 0.656,452 3.165,453 1.361,454 0.394,455 0.586,457 1.052,458 0.38,459 1.32,460 0.4,461 2.836,462 0.914,463 -0.026,464 -0.033,466 -0.063,467 -0.024,468 15.033,469 0.501,470 1.035,471 0.035,472 44.25,473 1.475,474 25.5,475 0.85,476 18.75,477 0.625,478 24.131,479 0.804,480 29.967,481 0.612,482 33.61,483 1.12,484 8.24,485 0.275,486 6.069,487 0.202,488 0.137,489 0.055,490 0.366,496 0.586,497 0.928,498 0.782,499 0.892,500 0.749,501 0.755,502 0.619,503 0.923,504 0.929,505 0.936,506 0.514,507 0.792,508 1.23,509 0.953,510 0.969,511 0.888,512 1.134,513 0.966,514 0.867,515 1.07,516 0.93,517 0.996,518 0.871,519 1.02,520 0.783,521 1.062,522 1.191,523 1.146,524 0.695,525 1.062,526 0.846,527 1.076,528 0.928,529 0.984,530 0.79,531 0.995,532 0.897,533 1.096,534 0.957,535 1.037,536 0.961,537 0.97,538 0.866,539 1.099,540 1.098,541 1.16,542 0.854,543 1.106,544 7.5,545 0.16,546 4.222,547 2.632,548 1.863,549 1.334,550 0.921,551 0.562,552 0.536,553 0.213,554 11576,555 33045,556 2.116,557 38.8,559 11,560 1,561 1,562 3,563 3,567 1.731,568 1.946,569 3.411,570 0.867,572 1,577 81.613,578 1.666,579 3.789,580 4.768,581 5.298,582 5.339,583 5.339,584 2.92,585 4.482,586 4.878,587 3.571,588 1553.3,589 8.522,590 20681.7,592 1,595 275.121,596 1.648,597 4.818,598 0.221,599 0.008,600 0.081,601 0.051,602 0.037,603 0.03,604 0.021,605 0.014,606 0.016,607 0.009,608 0.487,609 0.33,610 0.88,611 0.758,612 151.983,613 0.046,614 0.104,615 0.146,616 0.07,617 -0.202,618 0.099,619 0.187,620 0.065,621 0.006,622 0.033,623 0.269,624 0.107,625 -0.227,626 0.031,627 -0.132,628 0.005,629 -0.135,630 -0.082,631 -0.048,632 -0.108,633 0.004,634 -0.035,635 -0.059,636 -0.058,637 -0.051,638 -0.082,639 -0.106,640 -0.085,641 -0.007,642 -0.052,643 -0.035,644 -0.078,645 0.075,646 0.012,647 -0.027,648 -0.016,649 0.138,650 -0.057,651 0.087,652 -0.031,653 0.029,654 -0.012,655 0.04,656 -0.089,657 -0.112,658 -0.187,660 -0.131,661 4.213,662 4.996,663 0.8,664 27.733,665 1.004,666 1.104,667 3.433,668 11.782,669 0.741,670 3.555,671 3.97,672 4.277,673 4.605,674 4.86,675 5.011,676 5.231,677 5.429,678 5.557,679 5.684,680 6.432,681 0.696,682 433.59,683 3.555,684 5.153,685 6.038,686 6.963,687 7.867,688 8.792,689 9.703,690 10.628,691 11.544,692 12.469,693 6.1,697 1,701 1,703 1,708 4,709 10,710 1,711 1,713 1,714 7,716 26,727 1,735 49,737 28,738 2,739 34,741 53,742 23,743 21,744 5,745 7,748 5,749 7,754 1,762 21,763 2,767 2,770 1,772 2,780 1,783 19,784 4,785 3,786 7,787 2,792 3,797 0.6,798 2,809 1,811 1,815 2,816 3,819 2,843 3,845 2,847 2,851 30,852 1,854 1,869 1,874 4.1,877 2,881 15.417,882 9.533,883 6.194,884 2.707,886 5.457,887 1.649,888 1.082,889 4.457,890 13.865,891 3.912,892 4.673,893 5.334,894 6.031,895 6.624,896 7.089,897 7.66,898 8.205,899 8.633,900 9.129,901 1,902 52,903 11.249,905 5.154,906 7.786,907 21.255,909 18.474,911 2.286,912 68.583,915 1,916 188.338,917 173.259,918 66.468,920 44.313,922 37.324,923 135.936,924 232.651,925 66.468,926 16.016,928 122.402,929 72.87,930 45.272,931 19.746,932 196.073,934 188.338,935 202.404,936 44.313,937 37.324,939 188.338,940 44.313,943 34.658,944 150.96,945 22.831,946 31.278,947 188.338,948 110.781,949 173.259,951 6.046,952 188.338,953 58.691,954 108.522,955 16.786,956 93.996,957 188.338,958 110.781,959 173.259,961 0.608,962 0.353,963 0.193,964 0.106,965 29,966 13,967 0.057,968 3,969 2,970 1.167,971 4.007,972 292.21,973 0.167,974 24,975 145.207,977 1,980 1,981 19.286,982 6.933,983 3.338,984 4.135,985 93.996,986 19.185,987 4.429,988 3.344,990 1.591,991 5.654,993 49.683,994 472.378,995 49,998 -3.296,1000 23.993,1007 49.182,1008 54.075,1009 0.297,1010 0.675,1011 0.849,1012 0.944,1013 0.951,1014 0.951,1015 5.179,1016 1.701,1017 6.089,1018 5.339,1019 4.654,1020 5.361,1021 2.913,1022 6.997,1023 4.554,1024 6.474,1025 1.517,1026 7.715,1027 4.822,1028 4.511,1029 5.515,1031 8.191,1032 4.322,1033 7.854,1034 1.316,1035 9.446,1036 4.352,1037 6.385,1038 7.8,1039 5.027,1040 11.264,1041 6.179,1042 9.276,1043 1.109,1044 11.238,1045 3.859,1046 7.022,1047 8.748,1049 13.243,1050 6.714,1051 10.729,1052 1.058,1053 13.07,1054 2.92,1055 8.439,1056 10.557,1057 7.185,1058 15.892,1059 8.109,1060 12.205,1061 0.78,1062 14.929,1063 2.516,1064 9.397,1065 11.842,1067 18.163,1068 8.973,1069 13.698,1070 0.394,1071 16.807,1072 2.028,1073 10.656,1074 13.478,1075 9.348,1076 20.681,1077 10.197,1078 3.35,1079 -0.026,1080 18.699,1081 1.052,1082 11.748,1083 14.907,1085 23.067,1086 11.207,1087 3.288,1088 12.003,1089 20.602,1090 -0.063,1091 12.953,1092 16.479,1093 11.511,1094 25.545,1095 12.367,1096 3.002,1097 11.679,1098 22.513,1099 4.742,1100 14.099,1101 17.969,1103 27.977,1104 13.443,1105 2.738,1106 9.781,1107 24.431,1108 4.655,1109 15.289,1110 19.517,1111 13.675,1112 30.445,1113 14.582,1114 2.357,1115 9.276,1116 26.355,1117 4.42,1118 16.459,1119 21.034,1121 32.897,1122 15.689,1123 2,1124 7.5,1125 28.283,1126 3.701,1127 17.646,1128 22.574,1129 15.838,1130 35.364,1131 16.823,1132 1.925,1133 5.845,1134 30.215,1135 3.25,1136 18.827,1137 24.103,1139 37.826,1140 17.947,1141 10830,1142 18464,1143 22.482,1144 36.313,1145 53.594,1146 55.013,1147 54.586,1148 53.126,1149 53.068,1150 75.788,1151 5.9,1152 165.946,1153 50.346,1154 5.498,1155 7.18,1156 6.663,1157 5.408,1158 5.35,1159 7.742,1160 5.9,1161 19.593,1162 5.217,1163 16.125,1164 1.576,1165 1.618,1166 1.605,1167 1.563,1168 1.561,1169 2.229,1170 0.174,1171 4.881,1172 1.481,1173 4.189,1174 4.205,1175 4.735,1176 4.18,1177 7.716,1178 4.142,1179 4.081,1180 4.086,1181 4.344,1182 4.065,1183 6.999,1184 4.006,1185 3.983,1186 3.969,1187 4.056,1188 3.965,1189 5.188,1190 3.909,1191 3.641,1192 3.639,1193 3.712,1194 3.598,1195 4.963,1196 3.533,1197 3.472,1198 3.523,1199 3.427,1200 3.362,1201 4.741,1202 3.356,1203 3.241,1204 3.294,1205 3.38,1206 3.153,1207 4.562,1208 3.114,1209 3.073,1210 3.15,1211 2.993,1212 2.935,1213 4.339,1214 2.918,1215 2.936,1216 3.011,1217 2.815,1218 2.812,1219 4.126,1220 2.797,1221 0.142,1222 0.152,1223 0.209,1224 0.126,1225 0.099,1226 4.815,1227 0.139,1228 5.18,1229 0.087,1230 7.121,1231 0.353,1232 4.296,1233 0.095,1234 3.35,1235 4.742,1236 2.95,1237 12.003,1238 3.217,1239 2.028,1240 2.029,1241 2.063,1242 2.081,1243 1.269,1244 2.104,1245 1.96,1246 1.949,1247 2.01,1248 2.018,1249 1.198,1250 2.035,1251 1.792,1252 1.795,1253 1.807,1254 1.886,1255 1.029,1256 1.903,1257 1.606,1258 1.548,1259 1.794,1260 1.792,1261 0.886,1262 1.802,1263 1.528,1264 1.528,1265 1.583,1266 1.654,1267 0.796,1268 1.701,1269 1.377,1270 1.375,1271 1.403,1272 1.413,1273 0.645,1274 1.461,1275 0.982,1276 0.92,1277 1.286,1278 1.263,1279 0.35,1280 1.264,1281 0.951,1282 0.889,1283 1.222,1284 1.17,1285 0.217,1286 1.217,1287 4.234,1289 5.624,1290 3.045,1291 7.197,1292 5.416,1293 8.853,1294 7.535,1295 10.556,1297 3.253,1301 6.295,1314 34.082,1315 81.613,1316 185.637,1317 233.611,1318 259.611,1319 261.611,1320 261.611,1321 50.247,1322 8.408,1323 88.84,1324 125.46,1325 28,1326 12.976,1327 4.858,1328 4,1329 41.517,1330 115,1331 119,1332 0.178,1333 212.863,1334 348.72,1335 511.146,1336 55055,1338 21.043,1339 0.701,1340 0.602,1341 21.647,1342 18.064,1343 14.309,1344 0.421,1345 0.357,1346 9.544,1347 12.8,1348 8.963,1349 7.436,1350 15.657,1351 12.141,1352 14.36,1353 0.276,1354 0.199,1355 16.272,1356 10.36,1357 11.726,1358 0.165,1359 0.104,1360 13.173,1361 7.388,1362 10.312,1363 0.104,1364 0.057,1365 11.8,1366 5.612,1367 8.545,1368 0.067,1369 0.031,1370 9.887,1371 3.931,1372 0.275,1373 101.488,1374 0.211,1375 27.872,1376 0.504,1377 172,1378 458.482,1379 236.099,1380 499.862,1381 691.51,1382 462,1383 209,1384 483.688,1385 277.374,1386 545.656,1387 796.18,1388 510,1389 5.4}
{0 CHEMBL1997846,1 1.549,2 9.217,3 3.953,4 15.629,5 91.288,6 7.996,7 0.615,8 3.831,9 3.961,10 3.471,11 3.403,12 4.864,13 3.377,14 4.385,15 4.563,16 3.861,17 3.816,18 5.405,19 3.758,20 4.668,21 4.919,22 3.834,23 3.902,24 5.539,25 3.801,26 4.606,27 4.872,28 3.817,29 3.793,30 5.538,31 3.694,32 4.452,33 4.698,34 3.729,35 3.718,36 5.415,37 3.624,38 4.357,39 4.561,40 3.826,41 3.709,42 5.39,43 3.618,44 4.337,45 4.546,46 3.648,47 3.65,48 5.352,49 3.522,50 4.2,51 4.419,52 3.335,53 3.501,54 5.105,55 3.354,56 0.02,57 0.652,58 7.805,59 3.4,60 5.642,61 4.63,62 0.166,63 1.062,64 15.91,65 6.17,66 19.294,67 8.589,68 0.194,69 1.257,70 25.604,71 8.317,72 24.626,73 11.974,74 0.355,75 1.155,76 25.182,77 7.553,78 31.937,79 11.041,80 0.242,81 1.002,82 21.556,83 6.564,84 28.308,85 9.278,86 0.206,87 0.898,88 20.86,89 6.12,90 22.936,91 8.33,92 0.295,93 0.819,94 24.534,95 6.225,96 30.641,97 8.252,98 0.178,99 0.718,100 20.189,101 5.763,102 21.582,103 7.737,104 2,105 36,106 0.272,107 0.628,108 0.748,109 0.822,110 0.846,111 0.846,112 3.189,113 0.97,114 -5.07,115 -4.96,116 -4.65,119 41.5,121 5,127 1,142 3,143 2,145 1,147 2,149 1,151 1,161 1,172 7,174 1,175 7,178 2,180 5,183 7,188 4,193 3,196 3,200 5,203 3,205 4,208 4,212 2,213 4,218 1,221 4,225 3,229 1,230 3,233 7,238 4,241 1,243 1,246 8,250 1,255 2,258 6,264 2,269 2,272 5,276 697,277 15.947,278 15.947,279 15.947,280 15.947,281 15.947,282 14.104,283 11.088,284 9.606,285 16.392,286 12.909,287 12.909,288 12.909,289 12.909,290 12.909,291 10.129,292 19.407,293 4.634,294 13.698,295 3.809,296 1.775,297 1.091,298 0.671,299 0.537,300 0.537,301 3.892,303 1,304 1,305 1,306 1,307 473,308 2.121,311 44.327,312 194.788,315 84.619,319 1.444,320 16.271,321 1,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 48.833,332 212,333 4.6,334 3.205,335 6.714,336 4.136,337 3.167,338 4.535,339 0.4,340 10.928,341 3.073,342 4.151,343 2.974,344 5.871,345 3.697,346 2.766,347 3.816,349 8.373,350 2.577,351 3.632,352 2.707,353 5.528,354 3.439,355 2.487,356 2.958,358 7.367,359 2.358,360 3.467,361 2.345,362 5.173,363 3.086,364 2.144,365 2.652,367 6.345,368 2.017,369 3.182,370 2.105,371 4.718,372 2.764,373 1.902,374 2.321,376 5.198,377 1.578,378 3.046,379 1.547,380 4.502,381 2.513,382 1.547,383 2.314,385 4.234,386 1.49,387 2.917,388 1.501,389 4.005,390 2.399,391 1.455,392 2.108,394 3.447,395 1.348,396 2.527,397 1.408,398 3.587,399 2.351,400 1.38,401 1.54,403 3.017,404 1.326,405 2.427,406 1.035,407 3.563,408 2,409 1.027,410 1.425,412 2.557,413 1,414 2,415 1,416 3.247,417 1.986,418 1,419 1,421 2.136,422 0.98,423 1.973,424 0.495,425 3.094,426 1.426,427 0.488,428 0.721,430 1.178,431 0.457,432 1.175,433 0.222,434 2.869,435 0.94,441 0.948,442 0.145,443 2.554,444 0.421,445 -0.398,446 -0.503,448 -1.011,449 -0.25,450 0.733,451 -0.554,452 2.24,453 0.329,454 -0.595,455 -0.75,457 -1.573,458 -0.555,459 0.654,460 -0.705,461 2,462 0.144,463 -0.807,464 -0.961,466 -1.924,467 -0.741,468 11.214,469 0.488,470 0.465,471 0.02,472 30.25,473 1.315,474 14.5,475 0.63,476 15.75,477 0.685,478 18.585,479 0.808,480 24.186,481 0.59,482 18.376,483 0.799,484 5.351,485 0.233,486 5.942,487 0.258,488 0.064,490 0.312,496 0.834,497 1.36,498 0.624,499 0.954,500 0.674,501 0.883,502 0.614,503 1.2,504 0.697,505 1.06,506 0.487,507 1.018,508 0.933,509 1.131,510 0.77,511 0.925,512 0.774,513 0.909,514 0.761,515 0.892,516 0.689,517 0.811,518 0.691,519 0.817,520 1.101,521 0.884,522 0.89,523 0.783,524 1.105,525 0.815,526 1.265,527 1.107,528 1.238,529 1.038,530 1.339,531 0.993,532 1.73,533 0.904,534 1.893,535 1.218,536 1.835,537 1.176,538 1.5,539 0.998,540 1.72,541 1.283,542 1.63,543 1.245,544 4,545 0.021,546 1.778,547 1.569,548 0.912,549 0.451,550 0.554,551 0.219,552 0.14,553 0.044,554 5897,555 14106,556 2.196,557 43.9,558 6,559 4,560 1,561 1,562 2,564 4,567 1.659,568 2.123,569 3.2,570 0.321,572 1,577 63.504,578 1.549,579 3.582,580 4.267,581 4.687,582 4.821,583 4.821,584 2.666,585 4.263,586 4.496,587 3.317,588 839.316,589 7.75,590 9385.84,592 1,594 1,595 219.66,596 1.121,597 4.483,598 0.154,599 0.002,600 0.049,601 0.046,602 0.029,603 0.016,604 0.019,605 0.01,606 0.008,607 0.003,608 0.336,609 0.33,610 1,611 0.393,612 106.676,613 -0.069,614 -0.166,615 0.027,616 -0.016,617 0.027,618 0.024,619 0.218,620 -0.088,621 0.034,622 -0.122,623 0.301,624 -0.091,625 -0.04,626 -0.154,627 0.073,628 0.022,629 0.08,630 0.06,631 0.235,632 0.084,633 0.192,634 0.121,635 0.249,636 0.142,637 -0.029,638 0.117,639 0.087,640 0.168,641 -0.022,642 0.139,643 -0.016,644 -0.089,645 0.014,646 -0.029,647 -0.07,648 -0.036,649 -0.254,650 0.074,651 -0.331,652 -0.162,653 -0.314,654 -0.205,655 -0.312,656 -0.055,657 -0.36,658 -0.224,659 -0.381,660 -0.244,661 1.216,662 2.108,663 0.913,664 17.361,665 1,666 1.13,667 3.837,668 14.721,669 0.688,670 3.296,671 3.611,672 3.892,673 4.205,674 4.407,675 4.466,676 4.595,677 4.745,678 4.736,679 4.812,680 5.481,681 0.649,682 327.85,683 3.296,684 4.828,685 5.68,686 6.561,687 7.43,688 8.318,689 9.195,690 10.088,691 10.969,692 11.864,693 12.2,698 1,701 1,703 3,708 2,709 5,710 3,711 1,714 4,716 16,728 1,734 1,735 41,737 16,739 26,741 44,742 17,743 11,748 4,749 5,750 1,757 6,760 6,762 11,763 6,780 1,783 18,784 4,785 2,786 6,787 1,792 5,797 0.75,809 1,810 1,811 1,815 1,816 3,819 1,843 3,848 1,851 23,858 5,860 1,863 1,873 1,881 10.833,882 7.243,883 5,884 2.72,886 3.215,887 1.441,888 1.026,889 4.085,890 10.498,891 3.555,892 4.171,893 4.795,894 5.449,895 5.979,896 6.336,897 6.784,898 7.243,899 7.441,900 7.812,901 1,902 34,903 8.488,905 3.641,906 7.541,907 16.622,909 14.073,911 2.041,912 46.944,915 1,916 188.338,917 74.398,918 85.153,919 39.149,923 74.398,924 227.486,925 85.153,927 12.673,928 37.476,929 81.854,930 33.919,931 56.319,932 164.795,934 188.338,935 159.551,937 39.149,939 143.581,940 47.084,943 40.221,944 48.634,945 68.367,946 39.149,947 188.338,948 85.153,949 113.546,952 188.338,953 27.874,954 46.524,955 34.796,956 89.505,957 188.338,958 85.153,959 113.546,961 0.575,962 0.332,963 0.194,964 0.105,965 19,966 7,967 0.068,968 3,969 1,970 1.095,971 3.617,972 189.721,973 0.095,974 21,975 100.042,981 14.766,982 6.363,983 3.133,984 1.825,985 68.367,986 9.357,987 13.358,988 3.152,991 2.786,993 34.796,994 387.037,995 34,1007 41.018,1008 46.342,1009 0.289,1010 0.669,1011 0.796,1012 0.875,1013 0.9,1014 0.9,1015 4.779,1016 1.38,1017 5.645,1018 3.447,1019 4.29,1020 4.856,1021 0.278,1022 6.441,1023 4.179,1024 5.971,1025 1.027,1026 7.182,1027 3.017,1028 3.761,1029 4.62,1031 7.273,1032 3.559,1033 7.27,1034 1,1035 8.819,1036 2.557,1037 5.855,1038 7.09,1039 0.05,1040 10.411,1041 5.653,1042 8.608,1043 0.488,1044 10.518,1045 2.136,1046 6.176,1047 7.756,1049 12.135,1050 5.915,1051 9.984,1053 12.26,1054 1.178,1055 7.711,1056 9.669,1057 0.008,1058 14.771,1059 7.436,1060 11.387,1061 -0.398,1062 14.033,1064 8.45,1065 10.775,1067 16.875,1068 8.137,1069 12.812,1070 -0.595,1071 15.829,1072 -1.011,1073 9.745,1074 12.449,1075 0.001,1076 19.343,1077 9.41,1078 3.167,1079 -0.807,1080 17.643,1081 -1.573,1082 10.691,1083 13.767,1085 21.61,1086 10.326,1087 2.766,1088 10.928,1089 19.472,1090 -1.924,1091 11.884,1092 15.338,1094 24.023,1095 11.495,1096 2.487,1097 8.373,1098 21.313,1099 4.535,1100 12.93,1101 16.755,1103 26.359,1104 12.515,1105 2.144,1106 7.367,1107 23.163,1108 3.816,1109 14.084,1110 18.285,1112 28.753,1113 13.644,1114 1.902,1115 6.345,1116 25.022,1117 2.958,1118 15.179,1119 19.748,1121 31.119,1122 14.713,1123 1.547,1124 5.198,1125 26.888,1126 2.652,1127 16.32,1128 21.261,1130 33.509,1131 15.83,1132 1.455,1133 4.234,1134 28.759,1135 2.321,1136 17.439,1137 22.747,1139 35.888,1140 16.923,1141 5496,1142 8700,1143 18.087,1144 28.216,1145 39.075,1146 39.02,1147 39.279,1148 38.953,1149 38.73,1150 50.777,1151 0.8,1152 109.559,1153 36.41,1154 5.6,1155 5.205,1156 6.516,1157 5.21,1158 5.167,1159 7.535,1160 0.8,1161 18.109,1162 5.073,1163 5.786,1164 1.503,1165 1.501,1166 1.511,1167 1.498,1168 1.49,1169 1.953,1170 0.031,1171 4.214,1172 1.4,1173 4.122,1174 4.163,1175 4.111,1176 4.006,1177 5.146,1178 4.022,1179 3.896,1180 3.955,1181 3.921,1182 3.765,1183 4.992,1184 3.76,1185 3.745,1186 3.794,1187 3.71,1188 3.608,1189 4.512,1190 3.617,1191 3.374,1192 3.436,1193 3.351,1194 3.239,1195 4.356,1196 3.24,1197 3.187,1198 3.273,1199 3.234,1200 2.99,1201 4.243,1202 2.983,1203 3.111,1204 3.206,1205 2.97,1206 2.941,1207 3.951,1208 2.91,1209 2.902,1210 2.967,1211 2.866,1212 2.706,1213 3.81,1214 2.731,1215 2.734,1216 2.81,1217 2.758,1218 2.528,1219 3.48,1220 2.533,1221 0.177,1222 0.123,1223 0.258,1224 0.159,1225 0.122,1226 4.6,1227 0.174,1228 3.205,1229 0.015,1230 6.714,1231 0.42,1232 4.136,1233 0.118,1234 3.167,1235 4.535,1236 0.4,1237 10.928,1238 3.073,1239 1.905,1240 1.871,1241 2.096,1242 2.052,1243 1.476,1244 2.064,1245 1.865,1246 1.815,1247 1.961,1248 1.998,1249 1.064,1250 1.992,1251 1.714,1252 1.669,1253 1.784,1254 1.897,1255 0.864,1256 1.877,1257 1.421,1258 1.364,1259 1.572,1260 1.632,1261 0.825,1262 1.623,1263 1.168,1264 1.087,1265 1.513,1266 1.404,1267 0.742,1268 1.429,1269 1.153,1270 1.064,1271 1.449,1272 1.376,1273 0.578,1274 1.426,1275 1.023,1276 0.973,1277 1.198,1278 1.166,1279 0.303,1280 1.185,1281 0.625,1282 0.552,1283 0.897,1284 0.93,1286 0.937,1287 3.97,1289 5.283,1290 2.398,1291 6.795,1292 4.727,1293 8.396,1294 6.843,1295 10.043,1298 6.219,1303 6.257,1305 3.511,1308 0.479,1314 26.622,1315 63.504,1316 146.877,1317 174.931,1318 192.15,1319 197.66,1320 197.66,1321 27.517,1322 7.283,1323 66.49,1324 66.49,1325 23,1326 12.392,1327 4.087,1328 3.17,1329 31.789,1330 75,1331 75,1332 0.208,1333 166.079,1334 272.25,1335 396.993,1336 14057,1337 2.4,1338 15.648,1339 0.68,1340 0.586,1341 16.148,1342 13.475,1343 11.293,1344 0.434,1345 0.323,1346 7.978,1347 10.678,1348 7.826,1349 6.469,1350 11.582,1351 8.408,1352 10.128,1353 0.281,1354 0.177,1355 10.536,1356 6.368,1357 8.462,1358 0.176,1359 0.095,1360 8.698,1361 4.538,1362 7.603,1363 0.115,1364 0.051,1365 7.921,1366 3.392,1367 6.017,1368 0.074,1369 0.029,1370 6.249,1371 2.319,1372 0.32,1373 73.065,1374 0.235,1375 22.408,1376 0.586,1377 124,1378 319.804,1379 149.939,1380 346.982,1381 479.46,1382 326,1383 146,1384 345.905,1385 165.75,1386 360.07,1387 531.35,1388 341,1389 6}
{0 CHEMBL1997872,1 1.539,2 9.348,3 1.652,4 2.73,5 87.525,6 7.684,7 0.615,8 3.812,9 3.923,10 3.421,11 3.37,12 4.903,13 3.363,14 4.353,15 4.51,16 3.765,17 3.767,18 5.412,19 3.74,20 4.566,21 4.763,22 3.772,23 3.872,24 5.603,25 3.807,26 4.553,27 4.763,28 3.637,29 3.803,30 5.633,31 3.722,32 4.458,33 4.67,34 3.565,35 3.717,36 5.56,37 3.632,38 4.359,39 4.568,40 3.491,41 3.665,42 5.361,43 3.572,44 4.372,45 4.606,46 3.37,47 3.553,48 5.367,49 3.452,50 4.164,51 4.394,52 3.188,53 3.356,54 5.104,55 3.253,56 0.021,57 0.591,58 7.646,59 3.517,60 5.173,61 4.425,62 0.242,63 0.97,64 15.165,65 5.83,66 16.158,67 7.386,68 0.252,69 1.141,70 20.14,71 7.683,72 24.869,73 10.174,74 0.258,75 1.081,76 20.676,77 7.724,78 41.58,79 10.101,80 0.309,81 0.969,82 18.989,83 7.287,84 44.173,85 9.659,86 0.102,87 0.915,88 16.293,89 6.753,90 21.729,91 9.147,92 0.277,93 0.893,94 17.924,95 6.482,96 32.414,97 8.791,98 0.095,99 0.729,100 14.071,101 5.44,102 15.764,103 7.494,104 2,105 36,106 0.27,107 0.617,108 0.769,109 0.837,110 0.846,111 0.846,112 3.189,113 0.89,114 -3.24,115 -3.23,116 -3.09,119 45,125 4,142 6,143 4,145 1,151 1,158 1,161 1,172 10,174 1,175 4,178 1,180 2,183 11,187 1,188 7,193 1,196 9,200 6,205 1,208 6,212 1,213 7,218 1,221 5,225 5,230 2,233 3,237 2,238 4,243 2,246 1,250 4,255 1,264 1,267 2,276 672,277 15.999,278 15.999,279 15.999,280 15.999,281 15.999,282 14.135,283 8.912,284 9.531,285 16.367,286 12.854,287 12.854,288 12.854,289 12.854,290 12.854,291 9.978,292 9.739,293 4.53,294 13.391,295 3.783,296 1.807,297 0.938,298 0.55,299 0.5,300 0.5,301 3.891,304 1,305 1,306 1,307 481,308 2.449,311 52.05,312 196.864,315 88.279,319 1.493,320 18.997,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 49.5,332 215,333 4.472,334 3.696,335 6.427,336 4.041,337 3.053,338 4.391,339 1.2,340 9.88,341 3.018,342 4.283,343 3.005,344 6.27,345 3.905,346 2.931,347 3.888,348 0.86,349 9.447,350 2.856,351 3.965,352 2.693,353 5.99,354 3.611,355 2.636,356 3.353,357 0.293,358 8.524,359 2.569,360 3.419,361 2.556,362 5.232,363 3.131,364 2.174,365 2.664,367 6.341,368 2.071,369 3.034,370 2.048,371 4.457,372 2.612,373 1.65,374 2.301,376 4.375,377 1.584,378 3.004,379 1.899,380 4.297,381 2.481,382 1.534,383 2.138,385 4.036,386 1.448,387 2.705,388 1.534,389 3.848,390 2.29,391 1.368,392 1.773,394 3.203,395 1.253,396 2.558,397 1.406,398 3.495,399 2.141,400 1.168,401 1.548,403 2.595,404 1.13,405 2.5,406 1.256,407 3.427,408 1.973,409 1,410 1.5,412 2.324,413 0.971,414 2.094,415 1.154,416 3.29,417 1.952,418 1,419 1,421 2.136,422 0.946,423 2,424 1,425 3.247,426 1.684,427 0.674,428 0.891,430 1.657,431 0.668,432 1.901,433 0.409,434 3.032,435 1.354,436 0.408,437 0.608,439 1.005,440 0.385,441 0.922,442 -0.13,443 2.592,444 0.486,445 -0.503,446 -0.684,448 -1.298,449 -0.496,450 0.729,451 -0.36,452 2.299,453 0.255,454 -0.718,455 -0.78,457 -1.605,458 -0.688,459 0.614,460 -0.497,461 2.167,462 0.227,463 -0.792,464 -1,466 -1.975,467 -0.807,468 10.867,469 0.472,470 0.448,471 0.019,472 31,473 1.348,474 15.5,475 0.674,476 15.5,477 0.674,478 15.589,479 0.678,480 23.933,481 0.598,482 21.343,483 0.928,484 6.297,485 0.274,486 5.013,487 0.218,488 0.031,490 0.313,496 0.785,497 1.306,498 0.731,499 1.053,500 0.569,501 0.907,502 1.128,503 0.965,504 0.954,505 0.871,506 0.715,507 0.878,508 0.993,509 1.049,510 0.995,511 1.009,512 0.846,513 1.003,514 1.211,515 0.953,516 1.083,517 0.992,518 1.85,519 1.014,520 0.954,521 0.929,522 0.965,523 0.954,524 1.531,525 0.968,526 0.683,527 1.162,528 0.948,529 1.176,530 0.737,531 1.12,532 0.979,533 0.894,534 1.027,535 0.975,536 0.995,537 1.007,538 0.773,539 1.252,540 0.954,541 1.226,542 0.684,543 1.142,544 3.5,545 0.04,546 2.667,547 1.319,548 0.862,549 0.587,550 0.392,551 0.22,552 0.122,553 0.103,554 6065,555 15593,556 2.196,557 42.5,559 14,560 1,561 1,562 1,567 1.657,568 2.123,569 3.255,570 -0.326,571 1,572 1,574 1,577 61.577,578 1.539,579 3.515,580 4.384,581 4.772,582 4.822,583 4.822,584 2.719,585 4.176,586 4.498,587 3.362,588 850.621,589 7.74,590 9543.35,591 1,592 1,594 1,595 212.877,596 1.121,597 4.483,598 0.135,599 0.004,600 0.074,601 0.038,602 0.029,603 0.021,604 0.015,605 0.01,606 0.007,607 0.007,608 0.339,609 0.67,610 1,611 0.393,612 107.112,613 -0.036,614 -0.182,615 0.065,616 -0.063,617 -0.024,618 0.004,619 -0.077,620 0.126,621 -0.06,622 0.085,623 -0.04,624 0.025,625 -0.052,626 -0.043,627 -0.057,628 -0.033,629 0.017,630 -0.044,631 -0.166,632 0.011,633 -0.112,634 -0.009,635 -0.206,636 -0.043,637 0.052,638 0.007,639 0.009,640 0.047,641 -0.04,642 0.026,643 0.01,644 -0.201,645 -0.025,646 -0.167,647 0.036,648 -0.114,649 0.014,650 0.057,651 -0.027,653 0.004,654 -0.019,655 0.034,656 -0.322,657 0.02,658 -0.233,659 0.047,660 -0.132,661 1.606,662 5.604,663 0.913,664 17.183,665 1.004,666 1.121,667 2.005,668 4.021,669 0.681,670 3.296,671 3.611,672 3.912,673 4.159,674 4.357,675 4.394,676 4.554,677 4.644,678 4.663,679 4.754,680 5.616,681 0.655,682 307.38,683 3.296,684 4.828,685 5.687,686 6.558,687 7.43,688 8.305,689 9.181,690 10.058,691 10.936,692 11.814,693 7.5,700 1,701 1,703 1,708 2,709 8,710 1,711 1,714 3,716 16,724 1,735 40,737 17,738 1,739 26,741 43,742 18,743 13,744 2,745 4,746 1,748 4,749 5,762 14,763 4,767 1,772 1,776 1,779 1,780 1,783 17,784 4,785 1,786 5,792 3,797 0.75,798 2,809 1,811 1,815 1,816 3,819 1,842 1,843 3,851 23,858 4,861 1,864 1,874 5,877 1,878 1,881 10.833,882 7.15,883 5.028,884 2.408,886 3.236,887 1.446,888 1.03,889 3.757,890 10.485,891 3.584,892 4.186,893 4.821,894 5.412,895 5.934,896 6.286,897 6.781,898 7.199,899 7.45,900 7.855,901 1,902 35,903 8.512,905 3.666,906 7.674,907 16.4,909 13.676,911 2.174,912 50,916 188.338,917 106.898,918 36.695,920 36.145,923 106.898,924 224.482,925 36.695,927 16.52,928 65.905,929 71.121,930 37.963,931 11.771,932 164.795,934 188.338,935 143.594,936 36.145,939 188.338,940 25.145,941 11,943 44.069,944 82.739,945 16.786,947 188.338,948 72.84,949 106.898,952 188.338,953 31.946,954 78.077,955 16.786,956 52.93,957 188.338,958 72.84,959 106.898,961 0.578,962 0.347,963 0.188,964 0.097,965 19,966 7,967 0.047,968 2,969 1,970 1.095,971 3.628,972 188.689,973 0.095,974 21,975 100.042,981 14.279,982 6.051,983 2.822,984 1.932,985 56.055,986 15.509,987 4.414,988 3.087,991 2.715,993 16.786,994 368.076,995 35,1000 12.604,1004 0.061,1007 40.145,1008 44.82,1009 0.289,1010 0.661,1011 0.824,1012 0.897,1013 0.906,1014 0.906,1015 4.804,1016 1.168,1017 5.652,1018 3.203,1019 4.29,1020 4.871,1021 1.679,1022 6.45,1023 4.225,1024 5.996,1025 1,1026 7.2,1027 2.595,1028 3.761,1029 4.605,1030 0.325,1031 7.306,1032 3.707,1033 7.296,1034 1,1035 8.85,1036 2.324,1037 5.866,1038 7.092,1039 1.728,1040 10.413,1041 5.757,1042 8.635,1043 0.674,1044 10.562,1045 2.136,1046 6.217,1047 7.732,1048 0.653,1049 12.103,1050 6.123,1051 10.011,1052 0.408,1053 12.313,1054 1.657,1055 7.735,1056 9.635,1057 1.872,1058 14.687,1059 7.595,1060 11.412,1061 -0.503,1062 14.09,1063 1.005,1064 8.483,1065 10.692,1066 1.001,1067 16.699,1068 8.352,1069 12.831,1070 -0.718,1071 15.884,1072 -1.298,1073 9.756,1074 12.349,1075 2.071,1076 19.094,1077 9.591,1078 3.053,1079 -0.792,1080 17.691,1081 -1.605,1082 10.689,1083 13.61,1084 1.37,1085 21.243,1086 10.524,1087 2.931,1088 9.88,1089 19.505,1090 -1.975,1091 11.857,1092 15.157,1093 2.309,1094 23.563,1095 11.666,1096 2.636,1097 9.447,1098 21.326,1099 4.391,1100 12.875,1101 16.519,1102 1.754,1103 25.774,1104 12.679,1105 2.174,1106 8.524,1107 23.151,1108 3.888,1109 14,1110 18.018,1111 2.576,1112 28.063,1113 13.783,1114 1.65,1115 6.341,1116 24.98,1117 3.353,1118 15.059,1119 19.431,1120 2.143,1121 30.304,1122 14.833,1123 1.534,1124 4.375,1125 26.811,1126 2.664,1127 16.165,1128 20.911,1129 2.865,1130 32.581,1131 15.923,1132 1.368,1133 4.036,1134 28.645,1135 2.301,1136 17.244,1137 22.35,1138 2.535,1139 34.837,1140 16.99,1141 5621,1142 9106,1143 18.087,1144 27.256,1145 39.563,1146 40.398,1147 39.561,1148 39.182,1149 39.194,1150 52.11,1151 4.706,1152 111.045,1153 37.796,1154 5.472,1155 5.696,1156 6.229,1157 5.144,1158 5.053,1159 7.391,1160 2.293,1161 16.737,1162 5.018,1163 5.673,1164 1.522,1165 1.554,1166 1.522,1167 1.507,1168 1.507,1169 2.004,1170 0.181,1171 4.271,1172 1.454,1173 4.118,1174 4.156,1175 4.08,1176 4.024,1177 7.428,1178 4.033,1179 3.918,1180 3.951,1181 3.866,1182 3.818,1183 5.071,1184 3.825,1185 3.74,1186 3.789,1187 3.634,1188 3.536,1189 4.697,1190 3.553,1191 3.367,1192 3.413,1193 3.291,1194 3.241,1195 4.607,1196 3.246,1197 3.16,1198 3.206,1199 3.082,1200 2.945,1201 4.306,1202 2.97,1203 3.111,1204 3.183,1205 2.866,1206 2.941,1207 3.893,1208 2.91,1209 2.865,1210 2.942,1211 2.77,1212 2.67,1213 3.772,1214 2.682,1215 2.755,1216 2.827,1217 2.606,1218 2.587,1219 3.568,1220 2.589,1221 0.172,1222 0.142,1223 0.247,1224 0.155,1225 0.117,1226 4.472,1227 0.169,1228 3.696,1229 0.046,1230 6.427,1231 0.38,1232 4.041,1233 0.116,1234 3.053,1235 4.391,1236 1.2,1237 9.88,1238 3.018,1239 1.99,1240 1.969,1241 2.069,1242 2.076,1243 1.221,1244 2.073,1245 1.785,1246 1.754,1247 1.919,1248 1.968,1249 1.159,1250 1.953,1251 1.664,1252 1.612,1253 1.835,1254 1.845,1255 0.946,1256 1.843,1257 1.464,1258 1.396,1259 1.639,1260 1.689,1261 0.825,1262 1.685,1263 1.153,1264 1.094,1265 1.513,1266 1.376,1267 0.611,1268 1.429,1269 1.114,1270 1.064,1271 1.246,1272 1.344,1273 0.362,1274 1.305,1275 1.009,1276 0.966,1277 1.211,1278 1.169,1279 0.295,1280 1.188,1281 0.713,1282 0.641,1283 1.04,1284 0.978,1285 0.171,1286 1.002,1287 3.97,1289 5.283,1290 2.398,1291 6.801,1292 4.595,1293 8.405,1294 6.581,1295 10.051,1303 2.527,1306 5.307,1309 1.843,1314 26.181,1315 61.577,1316 140.612,1317 175.367,1318 190.877,1319 192.877,1320 192.877,1321 30.209,1322 7.249,1323 58.22,1324 58.22,1325 23,1326 12.351,1327 4.17,1328 3.322,1329 31.873,1330 78,1331 71,1332 0.202,1333 158.815,1334 267.28,1335 379.269,1336 13611,1338 15.648,1339 0.68,1340 0.55,1341 15.648,1342 12.658,1343 11.31,1344 0.435,1345 0.297,1346 7.601,1347 10.868,1348 7.474,1349 6.13,1350 11.31,1351 7.717,1352 9.968,1353 0.277,1354 0.156,1355 9.968,1356 5.625,1357 8.889,1358 0.181,1359 0.085,1360 8.889,1361 4.141,1362 7.384,1363 0.117,1364 0.046,1365 7.384,1366 2.878,1367 5.827,1368 0.076,1369 0.024,1370 5.827,1371 1.878,1372 0.313,1373 70.918,1374 0.235,1375 22.509,1376 0.562,1377 124,1378 355.094,1379 135.004,1380 341.074,1381 470.55,1382 322,1383 147,1384 344.526,1385 158.755,1386 349.66,1387 514.45,1388 330,1389 5.1}
{0 CHEMBL1997909,1 1.555,2 14.368,3 6.877,4 47.289,5 150.779,6 8.333,7 0.767,8 4.241,9 4.35,10 3.949,11 3.886,12 5.39,13 3.853,14 4.72,15 4.862,16 4.322,17 4.26,18 5.853,19 4.211,20 4.933,21 5.116,22 4.3,23 4.344,24 6.004,25 4.275,26 4.978,27 5.189,28 4.296,29 4.315,30 6.049,31 4.248,32 4.998,33 5.198,34 4.409,35 4.357,36 6.132,37 4.298,38 4.994,39 5.188,40 4.393,41 4.391,42 6.112,43 4.315,44 4.955,45 5.14,46 4.321,47 4.367,48 6.027,49 4.272,50 4.953,51 5.166,52 4.198,53 4.313,54 5.954,55 4.211,56 0.021,57 0.913,58 10.5,59 5.123,60 7.707,61 6.156,62 0.219,63 1.514,64 20.415,65 8.638,66 21.131,67 10.732,68 0.22,69 1.794,70 26.956,71 10.952,72 34.888,73 13.434,74 0.22,75 1.883,76 29.191,77 11.38,78 37.229,79 14.541,80 0.359,81 1.945,82 31.181,83 11.582,84 50.093,85 14.044,86 0.386,87 1.977,88 32.956,89 11.916,90 49.278,91 13.723,92 0.285,93 1.853,94 30.506,95 11.787,96 40.337,97 14.575,98 0.259,99 1.81,100 31.949,101 12.33,102 32.396,103 15.431,104 5,105 60,106 0.243,107 0.554,108 0.718,109 0.84,110 0.886,111 0.893,112 3.668,113 0.912,114 -5.69,115 -5.55,116 -5.18,119 48.4,120 1,121 1,142 14,143 3,144 2,145 1,146 2,150 1,151 2,152 1,158 1,162 1,172 16,174 2,175 6,178 3,180 5,183 17,187 1,188 5,193 6,196 11,199 1,200 13,205 5,208 6,212 1,213 15,216 2,218 2,221 9,224 1,225 7,228 2,230 2,233 11,237 1,238 7,241 1,243 5,246 14,249 1,250 8,255 1,258 11,263 1,264 11,267 1,268 1,269 1,272 15,276 3114,277 26.308,278 26.308,279 26.308,280 26.308,281 26.308,282 22.25,283 20.496,284 15.756,285 26.885,286 21.33,287 21.33,288 21.33,289 21.33,290 21.33,291 15.33,292 31.438,293 7.572,294 22.306,295 4.399,296 2.406,297 1.36,298 0.577,299 0.282,300 0.238,301 4.386,307 1215,308 3.391,311 177.163,312 465.159,314 144.281,319 2.302,320 24.734,323 0.5,324 0.67,325 0.83,326 0.5,328 0.83,329 1,330 0.62,331 80,332 546,333 4.738,334 3.628,335 7.021,336 4.268,337 3.327,338 4.68,339 1.987,340 12.063,341 3.144,342 4.209,343 3.328,344 6.068,345 3.819,346 2.853,347 3.824,348 0.4,349 8.792,350 2.765,351 4.127,352 3.021,353 6.026,354 3.731,355 2.753,356 3.751,357 0.324,358 8.629,359 2.694,360 4.002,361 2.728,362 5.787,363 3.585,364 2.592,365 3.628,367 7.95,368 2.568,369 3.954,370 2.621,371 5.553,372 3.489,373 2.569,374 3.475,376 7.553,377 2.353,378 3.688,379 2.6,380 5.332,381 3.279,382 2.318,383 3.082,385 6.876,386 2.221,387 3.487,388 2.31,389 5.219,390 3.048,391 2.111,392 2.789,394 6.398,395 1.966,396 3.324,397 2.147,398 4.688,399 2.902,400 1.901,401 2.578,403 5.074,404 1.883,405 2.953,406 1.626,407 4.558,408 2.469,409 1.515,410 2.151,412 4.304,413 1.444,414 2.905,415 1.561,416 4.349,417 2.415,418 1.443,419 2.087,421 3.887,422 1.414,423 2.865,424 1.488,425 4.122,426 2.414,427 1.414,428 2.027,430 3.6,431 1.404,432 2.834,433 1.455,434 3.6,435 2.333,436 1.361,437 1.963,439 2.988,440 1.317,441 2.784,442 1.373,443 3.574,444 2.278,445 1.329,446 1.904,448 2.965,449 1.244,450 2.654,451 1.191,452 3.514,453 2.145,454 1.172,455 1.725,457 2.613,458 1.136,459 2.61,460 1.123,461 3.481,462 2.03,463 1.119,464 1.664,466 2.537,467 1.01,468 18.567,469 0.489,470 0.794,471 0.021,472 57.5,473 1.513,474 32.5,475 0.855,476 25,477 0.658,478 29.501,479 0.776,480 37.233,481 0.601,482 45.659,483 1.202,484 11.304,485 0.297,486 7.332,487 0.193,488 0.045,490 0.318,496 0.813,497 1.156,498 0.703,499 0.86,500 0.641,501 0.807,502 0.598,503 1.12,504 0.838,505 1.032,506 0.597,507 0.944,508 1.195,509 1.126,510 0.942,511 0.971,512 1.185,513 0.999,514 1.101,515 1.109,516 0.793,517 0.89,518 0.864,519 0.922,520 1.4,521 0.986,522 0.842,523 0.815,524 1.463,525 0.818,526 1.436,527 0.926,528 1.149,529 0.916,530 1.35,531 0.881,532 0.93,533 1.167,534 1.096,535 1.165,536 0.928,537 1.11,538 0.925,539 1.026,540 1.059,541 1.032,542 0.813,543 1.008,544 6.5,545 0.261,546 3.111,547 2.632,548 1.993,549 0.879,550 0.836,551 0.447,552 0.527,553 0.304,554 24463,555 62738,556 2.192,557 38.7,558 3,559 14,560 2,561 1,562 2,563 2,567 1.79,568 2.111,569 3.768,570 0.123,577 96.405,578 1.555,579 3.548,580 4.594,581 5.377,582 5.672,583 5.716,584 3.229,585 4.735,586 5.214,587 3.957,588 2782.03,589 9.203,590 46152.5,595 369.16,596 1.167,597 5.205,598 0.151,599 0.006,600 0.052,601 0.045,602 0.034,603 0.014,604 0.013,605 0.008,606 0.01,607 0.006,608 0.339,609 0.17,610 0.63,611 0.362,612 210.992,613 -0.047,614 -0.109,615 0.06,616 0.014,617 -0.076,618 0.027,619 0.279,620 -0.069,621 0.038,622 -0.111,623 0.074,624 -0.069,625 -0.119,626 -0.109,627 -0.078,628 -0.069,629 -0.136,630 -0.084,631 -0.029,632 -0.091,633 0.066,634 -0.006,635 0.074,636 0.017,637 -0.044,638 0.057,639 0.112,640 0.114,641 -0.028,642 0.105,643 -0.158,644 0.159,645 -0.077,646 0.079,647 -0.126,648 0.037,649 0.028,650 -0.156,651 -0.088,652 -0.169,653 -0.03,654 -0.159,655 -0.014,656 -0.031,657 -0.055,658 -0.039,659 -0.027,660 -0.021,661 1.734,662 5.676,663 0.842,664 49.307,665 0.999,666 1.111,667 4.456,668 19.859,669 0.726,670 3.784,671 4.111,672 4.407,673 4.727,674 4.956,675 5.069,676 5.268,677 5.425,678 5.576,679 5.694,680 8.259,681 0.69,682 516.67,683 3.784,684 5.333,685 6.192,686 7.079,687 7.958,688 8.854,689 9.743,690 10.646,691 11.542,692 12.45,693 9.7,700 1,701 2,703 3,708 1,709 17,710 3,713 1,714 9,716 33,728 1,735 62,737 34,738 3,739 43,741 67,742 30,743 27,744 5,745 13,748 6,749 7,754 1,760 1,762 28,763 2,767 1,772 1,776 1,783 24,784 6,785 2,786 8,787 1,789 1,792 6,797 0.833,798 1,810 1,815 2,816 4,818 1,829 1,843 5,845 1,847 1,851 38,858 1,860 2,868 1,874 1.6,877 1,881 18,882 11.55,883 8.25,884 3.594,886 6.227,887 1.698,888 1.052,889 6.783,890 15.142,891 4.119,892 4.762,893 5.383,894 6.04,895 6.586,896 6.939,897 7.459,898 7.899,899 8.355,900 8.761,901 0.9,902 59,903 14.001,905 5.999,906 7.623,907 26.886,909 22.229,911 2.123,912 80.667,916 258.964,917 230.993,918 87.665,920 25.145,922 31.278,923 199.715,924 284.109,925 87.665,926 8.825,927 20.545,928 149.364,929 91.977,930 48.928,931 28.198,932 254.929,934 258.964,935 287.38,936 25.145,937 31.278,939 258.964,940 25.145,943 65.128,944 171.896,945 50.357,946 31.278,947 258.964,948 112.809,949 230.993,952 258.964,953 63.756,954 168.523,955 36.022,956 75.502,957 258.964,958 112.809,959 230.993,961 0.577,962 0.337,963 0.193,964 0.105,965 30,966 12,967 0.104,968 7,969 1,970 1.063,971 4.882,972 386.614,973 0.063,974 32,975 191.421,977 1,981 24.172,982 10.664,983 5.287,984 0.862,985 111.523,986 33.135,987 14.2,990 1.56,991 7.55,993 36.022,994 602.767,995 60.5,1000 12.676,1004 -0.067,1007 61.967,1008 68.856,1009 0.261,1010 0.596,1011 0.772,1012 0.903,1013 0.953,1014 0.96,1015 5.339,1016 1.901,1017 6.163,1018 6.398,1019 4.796,1020 5.451,1021 2.115,1022 6.974,1023 4.712,1024 6.554,1025 1.515,1026 7.711,1027 5.074,1028 4.29,1029 5.165,1030 1.593,1031 7.849,1032 4.169,1033 7.86,1034 1.443,1035 9.36,1036 4.304,1037 6.378,1038 7.685,1039 3.102,1040 11.001,1041 6.213,1042 9.203,1043 1.414,1044 11.073,1045 3.887,1046 6.735,1047 8.276,1048 3.168,1049 12.787,1050 6.515,1051 10.58,1052 1.361,1053 12.829,1054 3.6,1055 8.257,1056 10.221,1057 4.312,1058 15.455,1059 8.003,1060 11.982,1061 1.329,1062 14.616,1063 2.988,1064 9.028,1065 11.257,1066 4.654,1067 17.642,1068 8.711,1069 13.405,1070 1.172,1071 16.428,1072 2.965,1073 10.32,1074 12.953,1075 5.601,1076 20.167,1077 9.967,1078 3.327,1079 1.119,1080 18.26,1081 2.613,1082 11.297,1083 14.227,1084 6.091,1085 22.53,1086 10.878,1087 2.853,1088 12.063,1089 20.107,1090 2.537,1091 12.501,1092 15.814,1093 6.927,1094 25.019,1095 12.038,1096 2.753,1097 8.792,1098 21.969,1099 4.68,1100 13.579,1101 17.214,1102 7.5,1103 27.455,1104 13.051,1105 2.592,1106 8.629,1107 23.842,1108 3.824,1109 14.755,1110 18.759,1111 8.273,1112 29.938,1113 14.176,1114 2.569,1115 7.95,1116 25.726,1117 3.751,1118 15.886,1119 20.225,1120 8.894,1121 32.405,1122 15.242,1123 2.318,1124 7.553,1125 27.619,1126 3.628,1127 17.058,1128 21.757,1129 9.631,1130 34.889,1131 16.358,1132 2.111,1133 6.876,1134 29.519,1135 3.475,1136 18.216,1137 23.258,1138 10.279,1139 37.369,1140 17.452,1141 22414,1142 36126,1143 29.819,1144 44.989,1145 64.878,1146 65.45,1147 65.481,1148 64.035,1149 64.168,1150 89.439,1151 5.422,1152 183.304,1153 61.474,1154 5.604,1155 5.628,1156 6.823,1157 5.412,1158 5.327,1159 7.68,1160 3.497,1161 19.437,1162 5.144,1163 12.022,1164 1.509,1165 1.522,1166 1.523,1167 1.489,1168 1.492,1169 2.08,1170 0.126,1171 4.263,1172 1.43,1173 4.159,1174 4.195,1175 4.359,1176 4.067,1177 7.429,1178 4.056,1179 3.942,1180 3.977,1181 3.92,1182 3.872,1183 5.101,1184 3.864,1185 3.927,1186 3.961,1187 3.868,1188 3.852,1189 4.924,1190 3.849,1191 3.848,1192 3.879,1193 3.816,1194 3.792,1195 4.754,1196 3.776,1197 3.737,1198 3.784,1199 3.733,1200 3.61,1201 4.723,1202 3.61,1203 3.463,1204 3.497,1205 3.414,1206 3.276,1207 4.694,1208 3.294,1209 3.179,1210 3.258,1211 3.271,1212 3.104,1213 4.125,1214 3.082,1215 3.166,1216 3.215,1217 2.983,1218 3.026,1219 3.986,1220 3.002,1221 0.11,1222 0.084,1223 0.163,1224 0.099,1225 0.077,1226 4.738,1227 0.109,1228 3.628,1229 0.046,1230 7.021,1231 0.281,1232 4.268,1233 0.073,1234 3.327,1235 4.68,1236 1.987,1237 12.063,1238 3.144,1239 1.944,1240 1.917,1241 2.051,1242 2.055,1243 1.171,1244 2.049,1245 1.921,1246 1.89,1247 2.039,1248 2.023,1249 1.139,1250 2.029,1251 1.9,1252 1.874,1253 2.007,1254 1.979,1255 1.122,1256 1.992,1257 1.768,1258 1.727,1259 1.85,1260 1.915,1261 0.92,1262 1.905,1263 1.474,1264 1.422,1265 1.594,1266 1.701,1267 0.709,1268 1.669,1269 1.403,1270 1.372,1271 1.577,1272 1.62,1273 0.638,1274 1.603,1275 1.35,1276 1.339,1277 1.552,1278 1.43,1279 0.603,1280 1.469,1281 1.209,1282 1.13,1283 1.29,1284 1.418,1285 0.532,1286 1.461,1287 4.466,1289 5.79,1290 3.045,1291 7.303,1292 5.416,1293 8.905,1294 7.535,1295 10.555,1297 2.043,1303 0.314,1305 6.352,1314 42.771,1315 96.405,1316 220.006,1317 284.838,1318 333.386,1319 351.65,1320 354.405,1321 52.768,1322 8.915,1323 84.21,1324 112.45,1325 34,1326 12.97,1327 5.129,1328 4.209,1329 52.974,1330 182,1331 214,1332 0.136,1333 263.235,1334 439.06,1335 634.053,1336 119018,1338 25.899,1339 0.682,1340 0.564,1341 26.252,1342 21.444,1343 18.636,1344 0.433,1345 0.304,1346 12.158,1347 17.703,1348 11.779,1349 9.795,1350 19.09,1351 13.077,1352 16.755,1353 0.279,1354 0.162,1355 17.339,1356 9.734,1357 14.199,1358 0.175,1359 0.086,1360 14.824,1361 6.936,1362 12.555,1363 0.112,1364 0.045,1365 13.263,1366 5.061,1367 10.105,1368 0.072,1369 0.024,1370 10.719,1371 3.34,1372 0.215,1373 119.56,1374 0.183,1375 34.523,1376 0.37,1377 206,1378 551.842,1379 244.515,1380 571.372,1381 803.7,1382 538,1383 244,1384 599.515,1385 278.19,1386 626.302,1387 918.52,1388 591,1389 6.8}
{0 CHEMBL1997924,1 1.567,2 10.692,3 5.23,4 27.357,5 107.428,6 8.239,7 0.7,8 3.922,9 4.047,10 3.636,11 3.537,12 4.995,13 3.499,14 4.404,15 4.567,16 3.951,17 3.894,18 5.455,19 3.82,20 4.565,21 4.788,22 3.922,23 3.863,24 5.516,25 3.784,26 4.542,27 4.774,28 3.815,29 3.806,30 5.523,31 3.722,32 4.495,33 4.743,34 3.793,35 3.726,36 5.451,37 3.647,38 4.371,39 4.579,40 3.819,41 3.749,42 5.396,43 3.673,44 4.395,45 4.604,46 3.753,47 3.78,48 5.372,49 3.684,50 4.351,51 4.552,52 3.706,53 3.796,54 5.268,55 3.665,56 0.054,57 0.739,58 8.365,59 3.742,60 7.455,61 4.612,62 0.172,63 1.169,64 16.042,65 6.672,66 18.098,67 8.291,68 0.202,69 1.304,70 22.604,71 7.268,72 21.947,73 9.712,74 0.253,75 1.271,76 20.986,77 6.933,78 26.728,79 8.992,80 0.257,81 1.201,82 21.341,83 6.308,84 25.499,85 8.482,86 0.224,87 1.111,88 19.05,89 6.052,90 22.738,91 7.417,92 0.192,93 1.105,94 19.678,95 6.842,96 20.545,97 8.391,98 0.161,99 1.043,100 17.62,101 6.598,102 18.711,103 8.015,105 42,106 0.267,107 0.643,108 0.781,109 0.842,110 0.853,111 0.853,112 3.304,113 0.958,114 -5.59,115 -5.46,116 -5.1,119 43.2,121 2,122 1,125 1,142 7,143 1,146 1,147 2,150 1,151 1,152 2,168 1,172 9,174 1,175 2,178 4,180 4,183 8,188 3,192 1,193 5,196 5,199 1,200 6,203 1,204 1,205 5,213 5,216 1,218 4,221 1,224 1,225 7,228 1,230 3,233 2,238 4,241 1,242 1,243 3,246 4,250 2,255 3,258 8,264 4,269 4,272 7,276 1086,277 18.256,278 18.256,279 18.256,280 18.256,281 18.256,282 15.806,283 24.05,284 10.873,285 18.756,286 14.886,287 14.886,288 14.886,289 14.886,290 14.886,291 11.19,292 40.707,293 5.245,294 15.719,295 3.893,296 1.683,297 0.873,298 0.517,299 0.455,300 0.455,301 4.011,305 1,306 1,307 635,308 2.646,309 43.761,311 123.346,312 150.251,315 105.475,319 1.769,320 14.644,323 0.75,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.86,331 55,332 278,333 4.555,334 3.215,335 6.552,336 4.041,337 3.111,338 4.5,339 0.657,340 10.406,341 2.938,342 4.232,343 3.131,344 6.233,345 3.947,346 2.97,347 3.796,348 0.4,349 9.379,350 2.85,351 3.907,352 2.784,353 5.457,354 3.528,355 2.545,356 3.449,358 7.23,359 2.51,360 3.67,361 2.568,362 5.402,363 3.387,364 2.436,365 3.064,367 7.114,368 2.314,369 3.622,370 2.359,371 5.224,372 3.153,373 2.243,374 2.902,376 6.6,377 2.033,378 3.373,379 2.048,380 5.078,381 2.937,382 1.989,383 2.646,385 5.963,386 1.878,387 2.92,388 1.601,389 4.394,390 2.487,391 1.499,392 2.091,394 4.192,395 1.481,396 2.758,397 1.542,398 3.807,399 2.411,400 1.463,401 1.819,403 3.176,404 1.383,405 2.611,406 1.177,407 3.612,408 2,409 1.142,410 1.662,412 2.698,413 1,414 2.5,415 1,416 3.426,417 1.987,418 1,419 1.5,421 2.136,422 0.945,423 2.23,424 0.89,425 3.28,426 1.741,427 0.814,428 1.124,430 2.093,431 0.744,432 2.171,433 0.77,434 3.247,435 1.677,436 0.707,437 1.022,439 1.71,440 0.684,441 1.781,442 0.663,443 3.077,444 1.446,445 0.533,446 0.65,448 1.29,449 0.482,450 1.221,451 0.038,452 2.887,453 0.816,454 -0.105,455 -0.133,457 -0.304,458 -0.096,459 0.883,460 -0.219,461 2.588,462 0.543,463 -0.417,464 -0.489,466 -1.062,467 -0.396,468 12.733,469 0.49,470 0.496,471 0.019,472 36.5,473 1.404,474 19,475 0.731,476 17.5,477 0.673,478 19.121,479 0.735,480 26.267,481 0.597,482 22.804,483 0.877,484 6.752,485 0.26,486 6.097,487 0.234,490 0.314,496 0.938,497 1.091,498 0.717,499 0.819,500 0.829,501 0.796,502 0.706,503 1.075,504 0.924,505 1.049,506 0.681,507 1.028,508 1.053,509 1.248,510 0.87,511 1.04,512 1.12,513 0.961,514 1.298,515 1.087,516 0.949,517 0.92,518 1.178,519 0.975,520 1.394,521 1.046,522 0.825,523 0.796,524 1.258,525 0.815,526 1.342,527 1.011,528 1.087,529 0.939,530 1.103,531 0.853,532 1.118,533 0.997,534 1.147,535 1.035,536 1.155,537 0.952,538 1.284,539 0.85,540 1.201,541 0.973,542 1.342,543 1.038,544 4.5,545 0.036,546 1.833,547 1.229,548 0.996,549 0.459,550 0.369,551 0.283,552 0.208,553 0.082,554 9307,555 21867,556 2.266,557 40.9,558 4,559 9,560 1,562 3,563 1,567 1.692,568 2.229,569 3.387,570 0.974,577 68.936,578 1.567,579 3.776,580 4.587,581 4.942,582 5.005,583 5.005,584 2.907,585 4.316,586 4.669,587 3.56,588 1157.15,589 8.097,590 14606.5,595 240.215,596 0.89,597 4.673,598 0.15,599 0.003,600 0.047,601 0.034,602 0.03,603 0.015,604 0.011,605 0.009,606 0.007,607 0.003,608 0.31,609 0.17,610 0.75,612 127.685,613 -0.008,614 0.021,615 0.064,616 0.078,617 0.008,618 0.064,619 0.268,620 -0.006,621 -0.023,622 -0.099,623 0.246,624 -0.125,625 0.053,626 -0.241,627 0.087,628 -0.102,629 -0.056,630 -0.018,631 -0.037,632 -0.053,633 -0.043,634 -0.043,635 -0.029,636 -0.068,637 -0.094,638 -0.026,639 0.125,640 0.097,641 -0.051,642 0.11,643 -0.093,644 0.077,645 -0.018,646 0.056,647 0.05,648 0.059,649 -0.053,650 0.043,651 -0.095,652 -0.017,653 -0.077,654 -0.003,655 -0.334,656 0.183,657 -0.154,658 0.068,659 -0.399,660 -0.078,661 1.055,662 1.676,663 0.885,664 24.657,665 1,666 1.123,667 4.362,668 19.028,669 0.71,670 3.434,671 3.761,672 4.007,673 4.29,674 4.443,675 4.554,676 4.691,677 4.844,678 4.956,679 5.043,680 6.398,681 0.67,682 362.5,683 3.434,684 4.977,685 5.838,686 6.718,687 7.591,688 8.477,689 9.356,690 10.244,691 11.127,692 12.018,693 13.6,698 1,701 2,703 3,708 2,709 8,710 3,711 1,713 1,714 5,716 21,728 2,735 44,737 21,738 1,739 30,741 48,742 19,743 15,744 1,745 5,748 5,749 6,757 2,758 1,760 2,762 15,763 4,764 1,783 18,784 5,785 3,786 7,787 1,792 6,797 0.8,807 1,810 1,813 1,815 2,816 2,819 1,843 4,845 1,851 26,858 3,860 2,863 1,869 1,881 11.667,882 7.767,883 5.583,884 2.661,886 3.711,887 1.488,888 1.068,889 4.153,890 11.309,891 3.726,892 4.357,893 4.951,894 5.567,895 5.992,896 6.305,897 6.707,898 7.151,899 7.423,900 7.79,901 1,902 36,903 9.582,905 4.146,906 7.494,907 18.763,909 15.994,911 1.994,912 51.833,916 176.567,917 127.822,918 102.919,922 31.278,923 96.545,924 176.567,925 102.919,927 7.175,928 73.983,929 68.245,930 40.003,931 21.829,932 196.073,934 176.567,935 199.463,937 31.278,939 176.567,943 45.892,944 85.327,945 68.245,946 31.278,947 176.567,948 102.919,949 127.822,952 176.567,953 53.84,954 73.983,955 52.685,956 50.234,957 176.567,958 102.919,959 127.822,961 0.58,962 0.321,963 0.178,964 0.088,965 23,966 8,967 0.125,968 6,969 1,970 1.087,971 4.081,972 224.202,973 0.087,974 23,975 116.211,977 1,981 15.917,982 6.783,983 3.647,984 1.965,985 86.256,986 16.364,987 13.667,988 3.123,990 1.629,991 4.59,993 52.685,994 407.308,995 40.5,1007 43.989,1008 49.401,1009 0.287,1010 0.692,1011 0.84,1012 0.905,1013 0.917,1014 0.917,1015 4.951,1016 1.463,1017 5.802,1018 4.192,1019 4.443,1020 5.043,1021 0.781,1022 6.594,1023 4.338,1024 6.161,1025 1.142,1026 7.341,1027 3.176,1028 4.007,1029 4.796,1031 7.466,1032 3.873,1033 7.465,1034 1,1035 8.979,1036 2.698,1037 6.033,1038 7.271,1039 0.354,1040 10.528,1041 5.836,1042 8.805,1043 0.814,1044 10.675,1045 2.136,1046 6.415,1047 7.893,1049 12.219,1050 6.177,1051 10.177,1052 0.707,1053 12.41,1054 2.093,1055 7.897,1056 9.797,1057 0.157,1058 14.798,1059 7.609,1060 11.572,1061 0.533,1062 14.17,1063 1.71,1064 8.655,1065 10.848,1067 16.834,1068 8.318,1069 12.984,1070 -0.105,1071 15.95,1072 1.29,1073 9.916,1074 12.51,1075 0.069,1076 19.248,1077 9.534,1078 3.111,1079 -0.417,1080 17.745,1081 -0.304,1082 10.858,1083 13.782,1085 21.441,1086 10.421,1087 2.97,1088 10.406,1089 19.551,1090 -1.062,1091 12.027,1092 15.34,1093 0.03,1094 23.796,1095 11.543,1096 2.545,1097 9.379,1098 21.367,1099 4.5,1100 13.057,1101 16.724,1103 26.059,1104 12.517,1105 2.436,1106 7.23,1107 23.19,1108 3.796,1109 14.19,1110 18.24,1111 0.013,1112 28.393,1113 13.601,1114 2.243,1115 7.114,1116 25.021,1117 3.449,1118 15.264,1119 19.681,1121 30.69,1122 14.618,1123 1.989,1124 6.6,1125 26.857,1126 3.064,1127 16.384,1128 21.182,1129 0.006,1130 33.018,1131 15.686,1132 1.499,1133 5.963,1134 28.697,1135 2.902,1136 17.48,1137 22.651,1139 35.331,1140 16.725,1141 8372,1142 13012,1143 21.266,1144 31.25,1145 45.563,1146 44.931,1147 44.953,1148 44.874,1149 44.905,1150 60.448,1151 2.115,1152 127.973,1153 42.482,1154 5.419,1155 5.215,1156 6.354,1157 5.154,1158 5.111,1159 7.5,1160 1.315,1161 17.391,1162 4.938,1164 1.519,1165 1.498,1166 1.498,1167 1.496,1168 1.497,1169 2.015,1170 0.07,1171 4.266,1172 1.416,1173 4.083,1174 4.124,1175 4.314,1176 4.033,1177 5.09,1178 3.992,1179 3.984,1180 4.024,1181 3.951,1182 3.882,1183 4.961,1184 3.877,1185 3.9,1186 3.93,1187 3.836,1188 3.845,1189 4.75,1190 3.835,1191 3.636,1192 3.706,1193 3.554,1194 3.459,1195 4.377,1196 3.47,1197 3.413,1198 3.48,1199 3.464,1200 3.231,1201 4.212,1202 3.236,1203 3.147,1204 3.224,1205 3.054,1206 2.977,1207 4.077,1208 2.978,1209 2.899,1210 2.977,1211 2.924,1212 2.735,1213 3.835,1214 2.719,1215 2.854,1216 2.925,1217 2.687,1218 2.721,1219 3.674,1220 2.715,1221 0.152,1222 0.107,1223 0.218,1224 0.135,1225 0.104,1226 4.555,1227 0.15,1228 3.215,1229 0.022,1230 6.552,1231 0.347,1232 4.041,1233 0.098,1234 3.111,1235 4.5,1236 0.657,1237 10.406,1238 2.938,1239 1.915,1240 1.883,1241 2.041,1242 2.027,1243 1.153,1244 2.027,1245 1.799,1246 1.769,1247 1.825,1248 1.94,1249 0.985,1250 1.924,1251 1.553,1252 1.513,1253 1.687,1254 1.729,1255 0.924,1256 1.711,1257 1.413,1258 1.394,1259 1.528,1260 1.627,1261 0.825,1262 1.6,1263 1.296,1264 1.218,1265 1.513,1266 1.502,1267 0.677,1268 1.522,1269 1.232,1270 1.172,1271 1.481,1272 1.377,1273 0.633,1274 1.429,1275 1.153,1276 1.064,1277 1.296,1278 1.376,1279 0.453,1280 1.42,1281 0.886,1282 0.821,1283 1.181,1284 1.077,1285 0.218,1286 1.108,1287 4.111,1288 1.946,1289 5.434,1290 4.111,1291 6.94,1292 6.075,1293 8.531,1294 7.955,1295 10.17,1303 3.18,1305 6.668,1308 0.647,1314 29.476,1315 68.936,1316 166.157,1317 201.809,1318 217.46,1319 220.215,1320 220.215,1321 27.754,1322 7.598,1323 78.52,1324 106.76,1325 25,1326 12.548,1327 4.459,1328 3.524,1329 33.878,1330 97,1331 101,1332 0.164,1333 181.608,1334 292.61,1335 434.884,1336 21476,1338 17.347,1339 0.667,1340 0.572,1341 17.7,1342 14.884,1343 12.848,1344 0.428,1345 0.319,1346 8.684,1347 12,1348 8.459,1349 6.982,1350 13.303,1351 9.583,1352 11.546,1353 0.275,1354 0.176,1355 12.103,1356 7.394,1357 9.521,1358 0.176,1359 0.094,1360 10.225,1361 5.08,1362 8.215,1363 0.114,1364 0.05,1365 8.962,1366 3.622,1367 6.162,1368 0.073,1369 0.025,1370 6.744,1371 2.136,1372 0.258,1373 84.219,1374 0.217,1375 25.299,1376 0.45,1377 144,1378 364.794,1379 177.883,1380 384.752,1381 546.93,1382 364,1383 171,1384 410.429,1385 204.145,1386 430.304,1387 631.95,1388 407,1389 8.801}
{0 CHEMBL1998112,1 1.641,2 10.241,3 2.934,4 8.608,5 106.952,6 8.114,7 0.688,8 4,9 4.11,10 3.637,11 3.506,12 5.222,13 3.525,14 4.473,15 4.62,16 3.988,17 3.864,18 5.69,19 3.872,20 4.623,21 4.777,22 4.069,23 3.983,24 5.816,25 3.981,26 4.717,27 4.885,28 4.067,29 4.009,30 5.932,31 3.988,32 4.813,33 5.025,34 3.972,35 4.009,36 5.914,37 3.964,38 4.74,39 4.955,40 4,41 4.006,42 5.853,43 3.958,44 4.722,45 4.93,46 3.979,47 3.997,48 5.836,49 3.951,50 4.66,51 4.856,52 3.861,53 3.885,54 5.867,55 3.826,56 0.094,57 0.733,58 8.389,59 3.849,60 10.248,61 4.56,62 0.392,63 1.114,64 16.103,65 6.37,66 33.558,67 7.595,68 0.397,69 1.29,70 18.518,71 7.057,72 32.273,73 8.67,74 0.406,75 1.409,76 20.652,77 7.893,78 37.472,79 9.889,80 0.589,81 1.449,82 26.447,83 8.614,84 57.547,85 11.19,86 0.517,87 1.401,88 23.806,89 8.393,90 45.221,91 11.448,92 0.469,93 1.354,94 23.083,95 8.297,96 35.449,97 11.164,98 0.467,99 1.224,100 21.362,101 8.172,102 44.466,103 10.748,104 26,105 45,106 0.275,107 0.629,108 0.755,109 0.845,110 0.866,111 0.873,112 3.409,113 0.828,114 -3.44,115 -3.42,116 -3.27,119 43.8,124 2,142 8,143 2,144 3,145 1,146 1,151 1,158 1,161 1,162 1,163 1,164 1,165 1,172 7,174 2,175 7,177 1,178 3,180 3,183 7,185 1,187 1,188 7,193 3,196 5,198 1,199 1,200 11,203 2,204 1,205 5,207 1,208 1,210 2,212 1,213 10,218 3,223 1,224 3,225 7,227 2,228 2,230 1,233 4,237 2,238 2,241 1,246 8,249 3,250 3,252 1,253 2,255 2,258 8,260 2,264 4,269 2,272 4,274 2,276 1326,277 19.894,278 19.894,279 19.894,280 19.894,281 19.894,282 17.208,283 19.544,284 11.582,285 20.497,286 15.674,287 15.674,288 15.674,289 15.674,290 15.674,291 11.487,292 28.736,293 5.284,294 16.49,295 3.944,296 1.823,297 1.073,298 0.531,299 0.406,300 0.365,301 4.105,304 1,305 1,306 1,307 637,308 3.24,311 64.597,312 244.753,315 114.293,319 1.577,320 27.543,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 63.5,332 297,333 4.586,334 3.539,335 6.596,336 4.097,337 3.157,338 4.52,339 0.98,340 10.565,341 2.991,342 4.32,343 3.232,344 6.393,345 3.946,346 2.959,347 3.963,348 0.86,349 9.731,350 2.919,351 4.278,352 3.136,353 6.24,354 3.834,355 2.884,356 3.924,357 0.86,358 9.36,359 2.715,360 3.854,361 2.692,362 5.942,363 3.461,364 2.512,365 3.302,366 0.4,367 8.327,368 2.37,369 3.517,370 2.583,371 5.275,372 3.099,373 2.148,374 2.867,376 6.464,377 2.043,378 3.303,379 2.181,380 4.822,381 2.827,382 1.845,383 2.559,385 5.02,386 1.792,387 2.991,388 2.098,389 4.513,390 2.525,391 1.615,392 2.22,394 4.455,395 1.465,396 2.919,397 1.568,398 4.328,399 2.477,400 1.511,401 2.057,403 4.029,404 1.453,405 2.876,406 1.477,407 3.796,408 2.408,409 1.427,410 2.036,412 3.177,413 1.398,414 2.549,415 1.309,416 3.626,417 2.017,418 1.063,419 1.573,421 2.469,422 1.01,423 2.532,424 1.121,425 3.466,426 2.014,427 1,428 1.476,430 2.305,431 1.008,432 2.169,433 0.972,434 3.425,435 1.665,436 0.755,437 1.036,439 1.978,440 0.685,441 1.868,442 0.931,443 3.038,444 1.532,445 0.631,446 0.764,448 1.174,449 0.563,450 1.454,451 0.773,452 2.897,453 1.186,454 0.336,455 0.366,457 0.448,458 0.283,459 1.361,460 0.267,461 2.688,462 0.971,463 0.021,464 0.027,466 0.055,467 0.02,468 13.5,469 0.466,470 0.657,471 0.023,472 42.75,473 1.474,474 23,475 0.793,476 19.75,477 0.681,478 19.916,479 0.687,480 30.3,481 0.631,482 34.077,483 1.175,484 8.871,485 0.306,486 5.23,487 0.18,488 0.128,490 0.363,496 0.904,497 1.327,498 0.721,499 1.056,500 0.771,501 0.876,502 1.055,503 0.906,504 0.782,505 0.811,506 0.649,507 0.764,508 1.048,509 1.228,510 0.921,511 1.009,512 0.958,513 0.943,514 0.986,515 1.284,516 1.042,517 1.209,518 0.913,519 1.15,520 1.222,521 1.026,522 1.086,523 0.897,524 1.164,525 0.947,526 0.683,527 0.915,528 0.859,529 0.875,530 0.649,531 0.889,532 0.753,533 0.938,534 0.893,535 0.922,536 0.751,537 0.921,538 0.764,539 1.086,540 1.008,541 1.198,542 0.977,543 1.168,544 5.5,545 0.164,546 3.556,547 1.813,548 1.8,549 1.021,550 0.659,551 0.562,552 0.404,553 0.218,554 9979,555 29854,556 2.09,557 39.6,559 14,560 1,561 1,562 3,567 1.725,568 1.955,569 3.341,570 0.926,571 1,572 1,577 78.764,578 1.641,579 3.762,580 4.512,581 5.054,582 5.179,583 5.22,584 2.76,585 4.444,586 4.83,587 3.496,588 1419.3,589 8.442,590 18817.4,592 1,594 1,595 268.078,596 1.416,597 4.788,598 0.172,599 0.009,600 0.079,601 0.038,602 0.039,603 0.024,604 0.015,605 0.013,606 0.011,607 0.009,608 0.409,609 0.33,610 1,611 0.9,612 145.456,613 -0.102,614 -0.177,615 0.042,616 -0.071,617 -0.136,618 0.006,619 -0.003,620 0.173,621 0.095,622 0.161,623 0.081,624 0.138,625 -0.075,626 -0.146,627 -0.05,628 -0.045,629 -0.064,630 -0.039,631 -0.041,632 -0.212,633 -0.151,634 -0.257,635 -0.021,636 -0.24,637 -0.193,638 -0.027,639 -0.096,640 0.057,641 -0.163,642 0.01,643 0.105,644 0.113,645 0.093,646 0.092,647 0.096,648 0.09,649 0.056,650 0.08,651 0.051,652 0.055,653 0.015,654 0.06,655 0.157,656 -0.107,657 -0.055,658 -0.206,659 0.085,660 -0.185,661 2.189,662 4.762,663 0.724,664 25.42,665 1.014,666 1.126,667 2.209,668 4.878,669 0.682,670 3.497,671 3.829,672 4.143,673 4.419,674 4.635,675 4.771,676 4.949,677 5.1,678 5.215,679 5.328,680 6.248,681 0.665,682 389.45,683 3.497,684 5.043,685 5.911,686 6.799,687 7.683,688 8.577,689 9.466,690 10.363,691 11.256,692 12.155,693 10.4,700 1,701 2,703 2,708 1,709 10,710 2,714 7,716 22,722 1,728 1,733 2,735 48,737 23,738 2,739 32,741 51,742 21,743 18,744 5,745 7,746 1,748 4,749 5,762 19,763 2,767 1,772 1,776 1,780 1,783 19,784 7,785 3,786 8,789 1,792 5,797 0.75,798 3,810 1,815 1,816 3,819 1,843 3,847 2,851 29,852 1,860 1,861 2,874 6.3,877 1,879 2,881 14.833,882 9.267,883 6.5,884 2.522,886 4.256,887 1.547,888 1.007,889 5.273,890 12.03,891 3.807,892 4.457,893 5.11,894 5.732,895 6.281,896 6.668,897 7.165,898 7.64,899 8.028,900 8.468,901 0.857,902 48,903 10.63,905 4.485,906 7.828,907 19.898,909 15.871,911 2.328,912 67.5,915 1,916 188.338,917 146.361,918 85.765,920 47.145,923 146.361,924 235.482,925 85.765,926 21.766,927 32.897,928 84.857,929 76.907,930 74.615,931 11.771,932 164.795,934 188.338,935 232.127,936 47.145,939 188.338,940 47.145,943 67.613,944 130.943,945 33.571,947 188.338,948 132.91,949 146.361,952 188.338,953 30.691,954 116.957,955 18.011,956 113.613,957 188.338,958 132.91,959 146.361,961 0.578,962 0.355,963 0.197,964 0.101,965 22,966 10,967 0.118,968 6,969 1,970 1.095,971 3.941,972 264.231,973 0.095,974 21,975 140.881,981 19.086,982 8.011,983 3.712,984 0.698,985 131.624,986 17.904,987 9.11,991 4.183,993 50.908,994 467.609,995 44,1000 11.762,1004 -0.522,1007 48.676,1008 54.026,1009 0.294,1010 0.674,1011 0.808,1012 0.905,1013 0.927,1014 0.935,1015 5.034,1016 1.511,1017 5.9,1018 4.455,1019 4.511,1020 5.145,1021 1.824,1022 6.737,1023 4.418,1024 6.262,1025 1.427,1026 7.476,1027 4.029,1028 4.111,1029 4.997,1031 7.689,1032 3.979,1033 7.585,1034 1.063,1035 9.152,1036 3.177,1037 6.129,1038 7.423,1039 1.626,1040 10.788,1041 5.951,1042 8.948,1043 1,1044 10.886,1045 2.469,1046 6.567,1047 8.121,1049 12.543,1050 6.34,1051 10.342,1052 0.755,1053 12.657,1054 2.305,1055 8.036,1056 9.998,1057 1.481,1058 15.143,1059 7.775,1060 11.758,1061 0.631,1062 14.451,1063 1.978,1064 8.846,1065 11.09,1067 17.216,1068 8.534,1069 13.192,1070 0.336,1071 16.262,1072 1.174,1073 10.1,1074 12.741,1075 1.36,1076 19.639,1077 9.755,1078 3.157,1079 0.021,1080 18.084,1081 0.448,1082 11.078,1083 14.027,1085 21.848,1086 10.683,1087 2.959,1088 10.565,1089 19.914,1090 0.055,1091 12.246,1092 15.578,1093 1.257,1094 24.206,1095 11.816,1096 2.884,1097 9.731,1098 21.751,1099 4.52,1100 13.3,1101 16.962,1103 26.476,1104 12.821,1105 2.512,1106 9.36,1107 23.593,1108 3.963,1109 14.436,1110 18.471,1111 1.169,1112 28.811,1113 13.918,1114 2.148,1115 8.327,1116 25.438,1117 3.924,1118 15.525,1119 19.905,1121 31.11,1122 14.96,1123 1.845,1124 6.464,1125 27.287,1126 3.302,1127 16.649,1128 21.4,1129 1.094,1130 33.439,1131 16.043,1132 1.615,1133 5.02,1134 29.138,1135 2.867,1136 17.756,1137 22.861,1139 35.754,1140 17.103,1141 9636,1142 16794,1143 21.383,1144 32.722,1145 47.932,1146 49.16,1147 49.964,1148 47.614,1149 47.728,1150 65.378,1151 6.2,1152 139.109,1153 45.429,1154 5.378,1155 5.539,1156 6.277,1157 5.177,1158 5.157,1159 7.52,1160 1.96,1161 17.58,1162 4.991,1163 14.32,1164 1.498,1165 1.536,1166 1.561,1167 1.488,1168 1.492,1169 2.043,1170 0.194,1171 4.347,1172 1.42,1173 4.131,1174 4.182,1175 4.106,1176 3.978,1177 7.437,1178 4.002,1179 3.914,1180 3.94,1181 3.866,1182 3.843,1183 5.122,1184 3.844,1185 3.878,1186 3.9,1187 3.835,1188 3.753,1189 4.915,1190 3.772,1191 3.357,1192 3.406,1193 3.286,1194 3.172,1195 4.9,1196 3.191,1197 3.338,1198 3.39,1199 3.258,1200 3.081,1201 4.692,1202 3.117,1203 3.247,1204 3.314,1205 3.07,1206 2.954,1207 4.503,1208 2.965,1209 3.182,1210 3.261,1211 3.051,1212 2.932,1213 4.488,1214 2.953,1215 3.057,1216 3.129,1217 2.903,1218 2.872,1219 4.23,1220 2.87,1221 0.143,1222 0.111,1223 0.206,1224 0.128,1225 0.099,1226 4.586,1227 0.141,1228 3.539,1229 0.031,1230 6.596,1231 0.33,1232 4.097,1233 0.093,1234 3.157,1235 4.52,1236 0.98,1237 10.565,1238 2.991,1239 1.965,1240 1.938,1241 2.034,1242 2.11,1243 1.145,1244 2.084,1245 1.897,1246 1.876,1247 1.991,1248 1.992,1249 1.088,1250 1.992,1251 1.722,1252 1.684,1253 1.799,1254 1.897,1255 0.897,1256 1.874,1257 1.396,1258 1.341,1259 1.576,1260 1.59,1261 0.584,1262 1.585,1263 1.214,1264 1.171,1265 1.574,1266 1.536,1267 0.574,1268 1.539,1269 1.196,1270 1.129,1271 1.531,1272 1.523,1273 0.525,1274 1.504,1275 1.19,1276 1.114,1277 1.404,1278 1.484,1279 0.274,1280 1.501,1281 0.985,1282 0.916,1283 1.207,1284 1.228,1285 0.242,1286 1.226,1287 4.174,1289 5.501,1290 2.398,1291 7.033,1292 4.595,1293 8.658,1294 6.605,1295 10.332,1297 3.172,1301 5.497,1305 3.199,1306 10.703,1314 31.939,1315 78.764,1316 180.594,1317 216.568,1318 242.568,1319 248.568,1320 250.568,1321 43.538,1322 7.774,1323 103.77,1324 103.77,1325 23,1326 12.679,1327 4.585,1328 3.7,1329 44.446,1330 108,1331 113,1332 0.202,1333 196.395,1334 331.15,1335 470.963,1336 25127,1338 20.38,1339 0.703,1340 0.549,1341 20.38,1342 15.917,1343 14.101,1344 0.441,1345 0.276,1346 8.65,1347 13.406,1348 8.425,1349 7.033,1350 14.101,1351 8.828,1352 12.444,1353 0.277,1354 0.138,1355 12.444,1356 6.225,1357 10.86,1358 0.175,1359 0.073,1360 10.86,1361 4.508,1362 9.308,1363 0.114,1364 0.038,1365 9.308,1366 3.082,1367 7.278,1368 0.071,1369 0.019,1370 7.278,1371 1.989,1372 0.311,1373 89.51,1374 0.216,1375 27.084,1376 0.573,1377 154,1378 493.787,1379 171.796,1380 472.786,1381 652.54,1382 444,1383 184,1384 487.981,1385 202.27,1386 494.793,1387 723.59,1388 463,1389 5.1}
{0 CHEMBL1998121,1 1.735,2 9.417,3 3.026,4 9.154,5 96.248,6 9.082,7 0.615,8 3.799,9 3.919,10 3.521,11 3.4,12 4.976,13 3.375,14 4.288,15 4.433,16 3.91,17 3.806,18 5.431,19 3.751,20 4.567,21 4.757,22 4.084,23 3.934,24 5.703,25 3.843,26 4.595,27 4.809,28 3.85,29 3.84,30 5.725,31 3.752,32 4.556,33 4.766,34 3.808,35 3.767,36 5.794,37 3.684,38 4.522,39 4.729,40 3.868,41 3.772,42 5.742,43 3.679,44 4.45,45 4.655,46 3.83,47 3.742,48 5.688,49 3.619,50 4.338,51 4.559,52 3.602,53 3.638,54 5.402,55 3.493,56 0.101,57 0.592,58 5.96,59 3.171,60 11.631,61 3.9,62 0.173,63 0.906,64 11.549,65 5.68,66 23.265,67 7.196,68 0.366,69 1.076,70 26.06,71 8.188,72 46.714,73 10.137,74 0.36,75 1.089,76 24.51,77 8.264,78 47.585,79 10.394,80 0.496,81 1.027,82 23.149,83 7.881,84 70.424,85 9.604,86 0.498,87 0.96,88 25.218,89 7.687,90 66.289,91 9.337,92 0.501,93 0.869,94 26.389,95 7.825,96 62.741,97 10.055,98 0.317,99 0.797,100 23.476,101 7.012,102 40.69,103 9.07,104 19,105 36,106 0.306,107 0.679,108 0.826,109 0.903,110 0.912,111 0.912,112 3.228,113 0.949,114 -4.4,115 -4.33,116 -4.08,119 42.5,121 1,122 1,125 1,142 6,143 2,144 3,145 1,152 1,158 1,163 1,164 1,165 1,168 1,172 7,175 2,178 1,180 6,183 9,185 1,188 4,193 7,196 11,198 1,200 5,205 3,208 6,210 1,213 3,215 1,216 2,217 2,218 3,220 1,221 8,223 2,225 1,230 2,233 9,235 1,237 1,238 2,241 1,243 5,246 6,248 3,250 2,255 5,258 4,260 3,264 2,269 2,272 4,276 822,277 16.162,278 16.162,279 16.162,280 16.162,281 16.162,282 14.091,283 15.022,284 9.545,285 16.511,286 12.776,287 12.776,288 12.776,289 12.776,290 12.776,291 9.679,292 19.461,293 4.428,294 13.461,295 3.587,296 1.469,297 0.638,298 0.2,299 0.15,300 0.15,301 3.906,302 2,304 1,305 1,306 1,307 483,308 3.464,311 62.342,312 151.377,315 107.206,319 1.417,320 25.909,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 51.667,332 226,333 4.43,334 3.795,335 6.473,336 4.029,337 3.042,338 4.366,339 1.987,340 10.044,341 3.008,342 4.308,343 3.308,344 6.193,345 3.909,346 2.929,347 3.913,348 0.324,349 9.254,350 2.873,351 3.973,352 2.951,353 5.883,354 3.566,355 2.666,356 3.291,358 8.001,359 2.362,360 3.626,361 2.69,362 5.35,363 3.237,364 2.283,365 3.003,367 6.876,368 2.128,369 3.234,370 2.307,371 4.881,372 2.779,373 1.791,374 2.452,376 5.223,377 1.705,378 3.034,379 2.141,380 4.365,381 2.517,382 1.534,383 2.301,385 4.207,386 1.507,387 2.82,388 1.611,389 4.051,390 2.358,391 1.414,392 1.948,394 3.528,395 1.339,396 2.597,397 1.534,398 3.877,399 2.305,400 1.375,401 1.64,403 3.019,404 1.197,405 2.497,406 1.133,407 3.441,408 2.061,409 1.095,410 1.468,412 2.417,413 1.055,414 1.955,415 1.071,416 3.076,417 1.55,418 0.602,419 0.735,421 1.243,422 0.556,423 1.737,424 0.679,425 2.969,426 1.407,427 0.437,428 0.587,430 0.968,431 0.416,432 1.269,433 0.595,434 2.697,435 0.817,436 0.05,437 0.058,439 0.103,440 0.031,441 1.146,442 0.272,443 2.376,444 0.731,445 -0.266,446 -0.345,448 -0.665,449 -0.263,450 0.725,451 -0.07,452 2.293,453 0.292,454 -0.6,455 -0.704,457 -1.244,458 -0.431,459 0.637,460 -0.341,461 2.092,462 0.14,463 -0.846,464 -1.011,466 -1.896,467 -0.725,468 11.862,469 0.494,470 0.592,471 0.025,472 31,473 1.292,474 16,475 0.667,476 15,477 0.625,478 19.347,479 0.806,480 25.338,481 0.633,482 21.883,483 0.912,484 6.132,485 0.255,486 5.448,487 0.227,488 0.182,490 0.337,496 0.711,497 0.995,498 0.556,499 0.724,500 0.679,501 0.75,502 0.653,503 1.183,504 0.634,505 0.906,506 0.628,507 0.929,508 0.946,509 1.065,510 0.801,511 0.952,512 0.977,513 0.977,514 1.083,515 1.115,516 0.847,517 1.021,518 1.155,519 1.017,520 1.224,521 0.876,522 0.813,523 0.903,524 1.609,525 0.966,526 1.194,527 0.922,528 0.98,529 0.975,530 1.449,531 0.984,532 0.703,533 0.958,534 1.109,535 1.171,536 0.821,537 1.107,538 0.879,539 1.018,540 1.202,541 1.146,542 0.748,543 1.138,544 5,545 0.103,546 3.111,547 1.694,548 1.302,549 0.795,550 0.553,551 0.345,552 0.238,553 0.152,554 6179,555 21323,556 2.04,557 40,559 8,561 1,562 4,563 1,564 2,567 1.671,568 1.895,569 3.24,570 1.819,571 1,572 1,577 69.39,578 1.735,579 3.853,580 4.684,581 5.122,582 5.172,583 5.172,584 2.69,585 4.22,586 4.559,587 3.382,588 933.341,589 7.878,590 10989.9,591 1,592 1,593 1,594 1,595 212.877,596 1.459,597 4.507,598 0.192,599 0.009,600 0.086,601 0.047,602 0.041,603 0.027,604 0.019,605 0.013,606 0.011,607 0.008,608 0.453,610 1,611 1.004,612 113.703,613 -0.065,614 0.199,615 -0.009,616 0.12,617 -0.094,618 0.085,619 0.02,620 -0.084,621 0.015,622 -0.011,623 0.005,624 -0.032,625 -0.04,626 -0.078,627 0.082,628 0.012,629 -0.043,630 -0.013,631 -0.121,632 -0.146,633 -0.039,634 -0.077,635 -0.058,636 -0.048,637 -0.054,638 0.086,639 -0.028,640 0.033,641 -0.069,642 -0.018,643 -0.063,644 0.027,645 -0.029,646 -0.001,647 -0.09,648 -0.013,649 0.265,650 -0.053,651 -0.021,652 -0.141,653 0.185,654 -0.082,655 -0.055,656 -0.098,657 -0.116,658 -0.119,659 -0.051,660 -0.103,661 1.804,662 5.707,663 0.625,664 18.5,665 1.014,666 1.125,667 3.166,668 10.021,669 0.713,670 3.296,671 3.611,672 3.871,673 4.094,674 4.248,675 4.277,676 4.344,677 4.369,678 4.248,679 4.29,680 5.774,681 0.679,682 363.27,683 3.296,684 4.828,685 5.673,686 6.544,687 7.405,688 8.279,689 9.145,690 10.019,691 10.887,692 11.76,693 10,694 1,700 1,701 1,703 1,708 2,709 7,710 1,711 1,714 4,716 16,734 2,735 40,737 17,738 2,739 26,741 42,742 17,743 13,744 6,745 6,748 3,749 4,750 2,754 1,760 1,762 14,763 3,764 1,767 1,772 1,776 1,779 1,780 1,783 16,784 4,785 4,786 7,787 2,792 4,797 0.667,798 1,807 1,815 1,816 2,819 1,829 1,836 1,843 2,848 2,851 24,852 1,858 2,860 1,863 1,873 2,874 2.5,877 1,881 12.667,882 6.902,883 5.361,884 2.264,886 2.871,887 1.419,888 0.999,889 5.286,890 9.718,891 3.584,892 4.201,893 4.78,894 5.356,895 5.819,896 6.051,897 6.36,898 6.652,899 6.43,900 6.741,901 1,902 36,903 8.837,905 3.774,906 7.884,907 16.578,909 13.553,911 2.384,912 57.222,915 1,916 141.253,917 92.91,918 84.234,919 78.297,920 25.145,923 92.91,924 244.695,925 84.234,927 55.548,928 56.857,929 58.284,930 41.227,931 2.144,932 129.482,933 78.297,934 141.253,935 177.144,936 25.145,937 78.297,939 117.711,940 48.687,943 81.259,944 79.223,945 94.96,947 141.253,948 109.379,949 171.208,952 141.253,953 27.006,954 65.905,955 34.674,956 153.002,957 141.253,958 109.379,959 171.208,961 0.578,962 0.344,963 0.183,964 0.097,965 17,966 8,967 0.119,968 5,969 1,970 1.133,971 3.578,972 191.459,973 0.133,974 15,975 110.039,981 17.082,982 7.426,983 3.854,984 1.841,985 92.716,986 12.47,987 3.97,988 2.874,991 2.37,993 67.571,994 421.84,995 35,1000 12.707,1004 -0.137,1007 40.567,1008 44.997,1009 0.326,1010 0.724,1011 0.88,1012 0.962,1013 0.972,1014 0.972,1015 4.804,1016 1.375,1017 5.659,1018 3.528,1019 4.29,1020 4.887,1021 2.076,1022 6.46,1023 4.198,1024 6.019,1025 1.095,1026 7.217,1027 3.019,1028 3.892,1029 4.732,1030 1.593,1031 7.334,1032 3.716,1033 7.329,1034 0.602,1035 8.874,1036 2.417,1037 5.878,1038 7.119,1039 3.1,1040 10.41,1041 5.727,1042 8.676,1043 0.437,1044 10.586,1045 1.243,1046 6.293,1047 7.788,1048 3.168,1049 12.086,1050 6.08,1051 10.053,1052 0.05,1053 12.334,1054 0.968,1055 7.745,1056 9.649,1057 4.312,1058 14.663,1059 7.551,1060 11.45,1061 -0.266,1062 14.104,1063 0.103,1064 8.525,1065 10.707,1066 4.654,1067 16.67,1068 8.292,1069 12.864,1070 -0.6,1071 15.891,1072 -0.665,1073 9.763,1074 12.345,1075 5.601,1076 19.066,1077 9.537,1078 3.042,1079 -0.846,1080 17.69,1081 -1.244,1082 10.709,1083 13.599,1084 6.091,1085 21.22,1086 10.462,1087 2.929,1088 10.044,1089 19.498,1090 -1.896,1091 11.858,1092 15.137,1093 6.927,1094 23.545,1095 11.611,1096 2.666,1097 9.254,1098 21.313,1099 4.366,1100 12.881,1101 16.49,1102 7.5,1103 25.768,1104 12.621,1105 2.283,1106 8.001,1107 23.133,1108 3.913,1109 13.994,1110 17.983,1111 8.273,1112 28.067,1113 13.731,1114 1.791,1115 6.876,1116 24.958,1117 3.291,1118 15.052,1119 19.388,1120 8.894,1121 30.323,1122 14.781,1123 1.534,1124 5.223,1125 26.787,1126 3.003,1127 16.151,1128 20.861,1129 9.631,1130 32.613,1131 15.875,1132 1.414,1133 4.207,1134 28.619,1135 2.452,1136 17.228,1137 22.293,1138 10.279,1139 34.886,1140 16.944,1141 6028,1142 11310,1143 17.107,1144 28.523,1145 38.806,1146 40.168,1147 40.197,1148 38.707,1149 38.44,1150 51.524,1151 4.622,1152 109.768,1153 36.356,1154 5.317,1155 5.795,1156 6.232,1157 5.064,1158 5.042,1159 7.366,1160 3.497,1161 16.849,1162 5.008,1163 12.247,1164 1.493,1165 1.545,1166 1.546,1167 1.489,1168 1.478,1169 1.982,1170 0.178,1171 4.222,1172 1.398,1173 4.101,1174 4.143,1175 4.126,1176 3.993,1177 7.428,1178 4.004,1179 3.95,1180 3.972,1181 4.051,1182 3.9,1183 5.098,1184 3.892,1185 3.635,1186 3.684,1187 3.66,1188 3.491,1189 5.04,1190 3.491,1191 3.441,1192 3.522,1193 3.4,1194 3.212,1195 5,1196 3.235,1197 3.213,1198 3.274,1199 3.346,1200 3.003,1201 4.491,1202 3.011,1203 2.96,1204 3.025,1205 3.194,1206 2.834,1207 4.439,1208 2.826,1209 2.878,1210 2.922,1211 3.046,1212 2.79,1213 4.256,1214 2.765,1215 2.823,1216 2.877,1217 2.81,1218 2.644,1219 3.836,1220 2.656,1221 0.17,1222 0.146,1223 0.249,1224 0.155,1225 0.117,1226 4.43,1227 0.168,1228 3.795,1229 0.076,1230 6.473,1231 0.386,1232 4.029,1233 0.116,1234 3.042,1235 4.366,1236 1.987,1237 10.044,1238 3.008,1239 1.952,1240 1.93,1241 2.039,1242 2.05,1243 1.295,1244 2.05,1245 1.908,1246 1.888,1247 1.993,1248 1.98,1249 1.145,1250 1.991,1251 1.59,1252 1.542,1253 1.787,1254 1.769,1255 0.969,1256 1.786,1257 1.312,1258 1.23,1259 1.467,1260 1.65,1261 0.519,1262 1.6,1263 1.243,1264 1.182,1265 1.424,1266 1.521,1267 0.407,1268 1.495,1269 0.999,1270 0.943,1271 1.208,1272 1.21,1273 0.294,1274 1.223,1275 0.868,1276 0.824,1277 1.092,1278 1.046,1279 0.164,1280 1.062,1281 0.762,1282 0.703,1283 1.051,1284 1.013,1285 0.009,1286 1.055,1287 3.97,1289 5.283,1290 2.398,1291 6.788,1292 4.595,1293 8.381,1294 6.581,1295 10.02,1298 12.021,1301 5.675,1303 0.9,1305 2.929,1308 -0.398,1314 27.143,1315 69.39,1316 154.106,1317 187.367,1318 204.877,1319 206.877,1320 206.877,1321 46.353,1322 6.847,1323 83.8,1324 83.8,1325 17,1326 12.302,1327 4.17,1328 3.322,1329 39.179,1330 82,1331 74,1332 0.231,1333 176.08,1334 294.97,1335 421.395,1336 7778,1337 5,1338 17.104,1339 0.713,1340 0.593,1341 18.104,1342 14.234,1343 11.58,1344 0.445,1345 0.316,1346 7.456,1347 10.695,1348 7.253,1349 5.987,1350 12.157,1351 8.228,1352 10.323,1353 0.287,1354 0.174,1355 11.065,1356 6.279,1357 8.701,1358 0.185,1359 0.097,1360 9.615,1361 4.565,1362 7.011,1363 0.119,1364 0.049,1365 7.397,1366 2.901,1367 5.366,1368 0.078,1369 0.028,1370 5.755,1371 1.911,1372 0.358,1373 78.122,1374 0.242,1375 23.338,1376 0.645,1377 124,1378 369.765,1379 163.109,1380 423.83,1381 554.04,1382 392,1383 145,1384 358.137,1385 180.301,1386 383.828,1387 557.64,1388 361,1389 5.7}
{0 CHEMBL1998159,1 1.733,2 12.903,3 3.432,4 11.781,5 110.539,6 8.382,7 0.647,8 4.057,9 4.174,10 3.705,11 3.578,12 5.267,13 3.593,14 4.589,15 4.742,16 4.137,17 3.955,18 6.177,19 3.963,20 4.774,21 4.956,22 4.102,23 4.067,24 6.008,25 4.036,26 4.902,27 5.139,28 4.002,29 4.018,30 6.067,31 3.968,32 4.748,33 4.964,34 3.949,35 3.932,36 5.941,37 3.888,38 4.782,39 5.017,40 3.852,41 3.876,42 5.942,43 3.831,44 4.685,45 4.915,46 3.857,47 3.781,48 6.001,49 3.747,50 4.636,51 4.87,52 3.717,53 3.683,54 5.989,55 3.638,56 0.177,57 0.991,58 8.327,59 4.55,60 25.974,61 5.11,62 0.885,63 1.873,64 17.88,65 7.529,66 146.035,67 8.692,68 0.569,69 1.711,70 21.889,71 9.207,72 45.499,73 11.278,74 0.865,75 1.793,76 30.787,77 10.599,78 95.763,79 13.161,80 0.602,81 1.605,82 24.167,83 9.204,84 69.109,85 11.542,86 0.847,87 1.539,88 27.459,89 8.984,90 116.885,91 10.862,92 0.783,93 1.46,94 23.884,95 7.766,96 107.273,97 9.93,98 1.233,99 1.284,100 25.401,101 7.806,102 135.06,103 9.105,104 27,105 49,106 0.288,107 0.661,108 0.819,109 0.885,110 0.891,111 0.891,112 3.471,113 0.847,114 -3.67,115 -3.63,116 -3.46,119 43.1,120 1,121 1,125 1,127 1,132 1,142 6,143 4,144 1,145 3,146 2,152 1,163 1,164 1,165 1,168 1,172 9,175 5,180 3,183 10,185 1,187 2,188 7,190 1,191 1,193 2,196 8,198 1,199 1,200 2,203 1,205 2,208 2,210 2,212 1,213 6,218 4,221 2,223 3,225 5,227 1,228 1,230 3,233 3,235 2,237 1,238 3,241 1,246 3,249 1,250 4,252 1,253 2,255 1,258 5,260 1,264 3,269 1,272 5,274 1,276 1643,277 20.436,278 20.436,279 20.436,280 20.436,281 20.436,282 17.908,283 15.472,284 11.848,285 21.018,286 16.8,287 16.8,288 16.8,289 16.8,290 16.8,291 12.984,292 15.035,293 5.655,294 17.811,295 3.939,296 1.692,297 0.741,298 0.343,299 0.304,300 0.304,301 4.164,305 1,306 1,307 867,308 4,311 79.541,312 306.864,315 136.137,319 2.048,320 46.266,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 70,332 400,333 4.558,334 4.46,335 7.116,336 4.181,337 3.32,338 4.51,339 3.825,340 11.69,341 3.035,342 4.453,343 3.148,344 6.522,345 4.081,346 3.103,347 3.866,348 0.86,349 10.231,350 2.91,351 4.184,352 2.982,353 6.117,354 3.773,355 2.801,356 3.816,358 8.979,359 2.723,360 3.828,361 2.826,362 5.513,363 3.569,364 2.601,365 3.111,367 7.483,368 2.483,369 3.683,370 2.605,371 5.313,372 3.283,373 2.347,374 3.089,376 6.846,377 2.182,378 3.313,379 2.253,380 4.952,381 3.036,382 2.08,383 2.648,385 5.61,386 1.971,387 3.238,388 2.016,389 4.86,390 2.838,391 1.878,392 2.326,394 5.412,395 1.799,396 2.968,397 1.829,398 4.447,399 2.488,400 1.544,401 2.161,403 4.309,404 1.446,405 2.837,406 1.588,407 4.35,408 2.431,409 1.476,410 1.932,412 4.125,413 1.392,414 2.703,415 1.278,416 4.01,417 2.182,418 1.234,419 1.796,421 3.176,422 1.166,423 2.571,424 1.19,425 3.496,426 2.093,427 1.113,428 1.605,430 2.556,431 1.078,432 2.569,433 1.11,434 3.483,435 2.023,436 1.084,437 1.599,439 2.532,440 1.014,441 2.111,442 0.986,443 3.223,444 1.621,445 0.655,446 0.939,448 1.552,449 0.631,450 1.715,451 0.714,452 3.139,453 1.467,454 0.575,455 0.639,457 1.357,458 0.507,459 1.058,460 0.51,461 2.744,462 0.787,463 -0.186,464 -0.217,466 -0.479,467 -0.181,468 14.19,469 0.458,470 0.966,471 0.031,472 40.5,473 1.306,474 20.5,475 0.661,476 20,477 0.645,478 25.1,479 0.81,480 33.81,481 0.663,482 32.773,483 1.057,484 8.235,485 0.266,486 6.557,487 0.212,488 0.124,489 0.035,490 0.317,493 3,496 0.633,497 0.95,498 0.664,499 0.996,500 0.641,501 0.879,502 0.59,503 0.825,504 0.718,505 0.95,506 0.411,507 0.897,508 0.697,509 0.932,510 0.932,511 1.134,512 0.535,513 1.128,514 0.991,515 0.91,516 1.01,517 0.965,518 0.894,519 0.989,520 0.823,521 1.029,522 0.938,523 1.146,524 0.785,525 1.105,526 1.171,527 0.931,528 1.155,529 0.968,530 1.124,531 1.027,532 0.888,533 0.827,534 1.009,535 0.999,536 0.766,537 1.034,538 1.203,539 0.849,540 1.219,541 0.793,542 1.356,543 0.949,544 8,545 0.195,546 3.778,547 2.104,548 1.551,549 1.017,550 0.66,551 0.396,552 0.226,553 0.243,554 14537,555 49284,556 2.057,557 39.2,559 9,561 3,562 3,563 3,564 2,567 1.731,568 1.908,569 3.658,570 0.908,572 1,577 88.383,578 1.733,579 3.98,580 4.932,581 5.329,582 5.368,583 5.368,584 3.05,585 4.736,586 4.931,587 3.882,588 1805.04,589 8.58,590 27128.4,592 1,594 1,595 289.294,596 1.595,597 4.87,598 0.235,599 0.007,600 0.077,601 0.045,602 0.038,603 0.026,604 0.019,605 0.012,606 0.008,607 0.009,608 0.476,609 0.33,610 1,611 0.744,612 164.352,613 -0.04,614 0.001,615 0.021,616 0.025,617 -0.114,618 0.044,619 0.294,620 0.195,621 0.113,622 0.061,623 0.422,624 0.037,625 -0.011,626 -0.11,627 -0.09,628 -0.155,629 0.027,630 -0.157,631 -0.097,632 -0.048,633 -0.01,634 0.01,635 -0.064,636 0.026,637 -0.03,638 -0.173,640 -0.156,641 -0.027,642 -0.092,643 -0.185,644 -0.02,645 -0.144,646 -0.005,647 -0.186,648 -0.04,649 0.022,650 0.04,651 -0.023,652 -0.064,653 0.06,654 -0.065,655 0.075,656 0.215,657 -0.134,658 0.187,659 -0.103,660 0.022,661 5.63,662 4.869,663 0.677,664 32,665 1.026,666 1.146,667 2.436,668 5.935,669 0.67,670 3.555,671 3.912,672 4.127,673 4.357,674 4.564,675 4.585,676 4.736,677 4.771,678 4.804,679 4.852,680 7.973,681 0.661,682 427.47,683 3.555,684 5.118,685 5.958,686 6.843,687 7.7,688 8.583,689 9.448,690 10.329,691 11.198,692 12.078,693 9.8,694 1,701 1,703 3,708 2,709 9,710 3,711 1,714 6,716 22,733 1,735 51,737 22,738 1,739 34,741 54,742 22,743 17,744 2,745 4,748 4,749 5,754 2,759 1,760 2,762 17,763 5,780 1,781 3,783 20,784 8,785 3,786 9,792 5,797 0.75,798 1,807 1,809 2,815 1,816 3,819 1,836 1,843 3,847 1,849 3,851 31,852 1,858 2,861 1,863 1,865 1,873 3,874 2,879 1,881 16.25,882 9.362,883 6.583,884 2.853,886 4.168,887 1.531,888 1.005,889 5.839,890 12.011,891 3.829,892 4.469,893 5.057,894 5.651,895 6.183,896 6.449,897 6.9,898 7.275,899 7.518,900 7.853,901 1,902 47,903 11.847,905 5.493,906 8.142,907 21.121,909 17.319,911 2.642,912 81.917,915 1,916 200.109,917 132.742,918 99.794,920 11,921 44.88,923 132.742,924 211.109,925 144.675,926 8.825,927 40.024,928 56.857,929 85.547,930 121.959,931 2.757,932 164.795,933 7.76,934 200.109,935 232.536,936 55.88,939 176.567,940 79.422,943 105.315,944 76.987,945 50.234,947 244.989,948 110.794,949 132.742,952 207.868,953 32.158,954 92.825,955 16.663,956 139.011,957 200.109,958 155.674,959 132.742,961 0.595,962 0.332,963 0.17,964 0.093,965 24,966 11,967 0.111,968 6,969 1,970 1.095,971 4.279,972 272.138,973 0.095,974 21,975 148.825,981 21.14,982 8.563,983 4.973,984 1.751,985 139.011,986 13.804,987 12.782,988 2.924,991 2.759,993 49.56,994 488.525,995 45,1007 52.327,1008 58.457,1009 0.306,1010 0.702,1011 0.869,1012 0.939,1013 0.946,1014 0.946,1015 5.078,1016 1.544,1017 5.984,1018 5.412,1019 4.595,1020 5.156,1021 3.106,1022 6.815,1023 4.487,1024 6.314,1025 1.476,1026 7.565,1027 4.309,1028 4.369,1029 5.027,1030 3.903,1031 7.921,1032 4.132,1033 7.639,1034 1.234,1035 9.253,1036 4.125,1037 6.26,1038 7.398,1039 5.425,1040 10.919,1041 6.035,1042 8.999,1043 1.113,1044 11.007,1045 3.176,1046 6.815,1047 8.066,1048 6.69,1049 12.835,1050 6.45,1051 10.39,1052 1.084,1053 12.804,1054 2.556,1055 8.237,1056 9.942,1057 8.058,1058 15.419,1059 7.867,1060 11.803,1061 0.655,1062 14.631,1063 2.532,1064 9.131,1065 11.005,1066 9.388,1067 17.647,1068 8.633,1069 13.233,1070 0.575,1071 16.482,1072 1.552,1073 10.383,1074 12.661,1075 10.734,1076 20.113,1077 9.849,1078 3.32,1079 -0.186,1080 18.351,1081 1.357,1082 11.429,1083 13.929,1084 12.074,1085 22.464,1086 10.781,1087 3.103,1088 11.69,1089 20.234,1090 -0.479,1091 12.619,1092 15.485,1093 13.416,1094 24.899,1095 11.914,1096 2.801,1097 10.231,1098 22.128,1099 4.51,1100 13.734,1101 16.859,1102 14.758,1103 27.3,1104 12.925,1105 2.601,1106 8.979,1107 24.032,1108 3.866,1109 14.906,1110 18.373,1111 16.1,1112 29.732,1113 14.025,1114 2.347,1115 7.483,1116 25.943,1117 3.816,1118 16.052,1119 19.803,1120 17.441,1121 32.155,1122 15.073,1123 2.08,1124 6.846,1125 27.861,1126 3.111,1127 17.222,1128 21.3,1129 18.783,1130 34.591,1131 16.162,1132 1.878,1133 5.61,1134 29.784,1135 3.089,1136 18.384,1137 22.761,1138 20.124,1139 37.025,1140 17.229,1141 13771,1142 25555,1143 22.364,1144 34.148,1145 52.404,1146 51.83,1147 52.377,1148 51.781,1149 51.619,1150 68.072,1151 9.371,1152 151.718,1153 48.677,1154 5.456,1155 6.46,1156 6.669,1157 5.248,1158 5.32,1159 7.51,1160 5.335,1161 18.667,1162 5.035,1163 16.908,1164 1.541,1165 1.524,1166 1.54,1167 1.523,1168 1.518,1169 2.002,1170 0.276,1171 4.462,1172 1.432,1173 4.111,1174 4.153,1175 4.081,1176 3.994,1177 8.513,1178 4.01,1179 3.964,1180 3.994,1181 3.914,1182 3.89,1183 7.999,1184 3.889,1185 3.845,1186 3.88,1187 3.802,1188 3.717,1189 7.999,1190 3.733,1191 3.599,1192 3.662,1193 3.502,1194 3.422,1195 5.134,1196 3.427,1197 3.363,1198 3.433,1199 3.312,1200 3.162,1201 5.024,1202 3.177,1203 3.299,1204 3.351,1205 3.25,1206 3.011,1207 4.909,1208 3.057,1209 3.053,1210 3.127,1211 2.922,1212 2.888,1213 4.676,1214 2.89,1215 2.97,1216 3.045,1217 2.828,1218 2.791,1219 4.52,1220 2.785,1221 0.134,1222 0.131,1223 0.209,1224 0.123,1225 0.098,1226 4.558,1227 0.133,1228 4.46,1229 0.113,1230 7.116,1231 0.344,1232 4.181,1233 0.089,1234 3.32,1235 4.51,1236 3.825,1237 11.69,1238 3.035,1239 1.949,1240 1.924,1241 2.054,1242 2.056,1243 1.268,1244 2.05,1245 1.935,1246 1.909,1247 2.011,1248 2.026,1249 1.139,1250 2.028,1251 1.728,1252 1.7,1253 1.843,1254 1.871,1255 0.989,1256 1.862,1257 1.554,1258 1.496,1259 1.763,1260 1.773,1261 0.902,1262 1.766,1263 1.466,1264 1.385,1265 1.661,1266 1.747,1267 0.672,1268 1.725,1269 1.111,1270 1.074,1271 1.308,1272 1.436,1273 0.507,1274 1.354,1275 1.024,1276 0.977,1277 1.231,1278 1.276,1279 0.26,1280 1.278,1281 0.948,1282 0.878,1283 1.204,1284 1.207,1285 0.242,1286 1.223,1287 4.234,1289 5.58,1290 2.398,1291 7.102,1292 4.727,1293 8.702,1294 6.804,1295 10.344,1297 1.933,1299 38.607,1301 6.079,1303 0.393,1306 5.74,1308 -0.477,1310 -4.38,1314 33.713,1315 88.383,1316 202.99,1317 251.519,1318 271.784,1319 273.784,1320 273.784,1321 65.412,1322 7.843,1323 89.71,1324 89.71,1325 23,1326 12.616,1327 4.524,1328 3.585,1329 49.771,1330 151,1331 115,1332 0.158,1333 204.517,1334 351.72,1335 490.781,1336 31990,1337 5.9,1338 22.01,1339 0.71,1340 0.537,1341 19.51,1342 16.649,1343 14.792,1344 0.435,1345 0.282,1346 9.416,1347 14.058,1348 9.232,1349 7.621,1350 13.581,1351 9.601,1352 14.358,1353 0.293,1354 0.149,1355 12.4,1356 7.318,1357 11.113,1358 0.182,1359 0.08,1360 10.151,1361 4.856,1362 8.998,1363 0.117,1364 0.043,1365 8.48,1366 3.277,1367 7.338,1368 0.077,1369 0.023,1370 6.698,1371 2.155,1372 0.256,1373 94.06,1374 0.211,1375 29.654,1376 0.41,1377 166,1378 666.649,1379 194.137,1380 566.253,1381 747.3,1382 526,1383 193,1384 532.117,1385 215.679,1386 521.718,1387 776.76,1388 488,1389 7.1}
{0 CHEMBL1998193,1 1.592,2 15,3 0.965,4 0.931,5 97.856,6 7.13,7 0.444,8 3.985,9 4.132,10 3.489,11 3.433,12 5.108,13 3.421,14 4.491,15 4.691,16 3.733,17 3.765,18 5.624,19 3.7,20 4.757,21 5.023,22 3.666,23 3.832,24 5.725,25 3.728,26 4.715,27 4.991,28 3.581,29 3.709,30 5.727,31 3.614,32 4.635,33 4.893,34 3.554,35 3.632,36 5.783,37 3.555,38 4.563,39 4.823,40 3.413,41 3.613,42 5.567,43 3.509,44 4.544,45 4.817,46 3.28,47 3.598,48 5.464,49 3.463,50 4.478,51 4.751,52 3.223,53 3.551,54 5.362,55 3.408,56 0.056,57 0.761,58 10.849,59 3.773,60 8.841,61 5.731,62 0.369,63 1.092,64 19.494,65 6.299,66 34.98,67 9.715,68 0.399,69 1.196,70 27.475,71 7.792,72 51.22,73 12.399,74 0.368,75 1.073,76 26.855,77 6.972,78 55.331,79 11.441,80 0.558,81 0.98,82 25.042,83 6.325,84 76.018,85 9.942,86 0.344,87 0.94,88 22.812,89 6.339,90 52.837,91 9.953,92 0.382,93 0.918,94 22.523,95 6.462,96 52.043,97 10.066,98 0.281,99 0.869,100 20.824,101 6.287,102 42.1,103 9.839,104 5,105 32,106 0.271,107 0.575,108 0.694,109 0.749,110 0.749,111 0.749,112 3.301,113 0.96,114 -1.63,115 -1.7,116 -1.73,119 36,121 4,125 2,142 4,144 2,145 4,159 2,172 5,175 2,178 4,179 2,180 4,183 2,188 2,191 2,193 4,196 1,200 4,205 6,212 2,213 4,216 2,218 6,225 2,230 2,233 2,238 4,242 1,243 2,246 4,250 2,258 4,264 2,267 2,268 2,272 4,276 1144,277 17.794,278 17.794,279 17.794,280 17.794,281 17.794,282 15.983,283 20.284,284 11.544,285 18.135,286 13.416,287 13.416,288 13.416,289 13.416,290 13.416,291 10.776,292 26.661,293 5.634,294 13.905,295 4.052,296 2.26,297 1.56,298 1.24,299 1.24,300 1.24,301 3.975,305 1,306 1,307 810,308 4.123,312 221.624,319 2.308,320 24.454,323 1,324 1,325 0.83,326 1,327 1,328 1,329 1,330 0.98,331 57,332 390,333 3.963,334 3.545,335 5.484,336 3.588,337 2.626,338 3.476,339 1.656,340 7.392,341 2.519,342 3.962,343 3.545,344 5.484,345 3.588,346 2.625,347 3.476,348 1.656,349 7.392,350 2.519,351 3.538,352 2.536,353 4.819,354 3.151,355 2.173,356 2.759,357 0.247,358 5.52,359 2.114,360 3.536,361 2.536,362 4.818,363 3.137,364 2.158,365 2.758,366 0.247,367 5.516,368 2.1,369 2.889,370 1.931,371 3.853,372 2.803,373 1.806,374 2.016,376 3.676,377 1.798,378 2.866,379 1.691,380 3.618,381 2.442,382 1.485,383 2.009,385 3.106,386 1.42,387 2.813,388 1.519,389 3.573,390 2.37,391 1.414,392 1.827,394 3.015,395 1.349,396 2.5,397 1.519,398 3.418,399 2.288,400 1.302,401 1.5,403 2.73,404 1.278,405 2.5,406 1.242,407 3.247,408 1.956,409 1,410 1.5,412 2.136,413 0.954,414 2.438,415 1,416 3.247,417 1.956,418 1,419 1.416,421 2.136,422 0.953,423 1.906,424 1,425 3.027,426 1.787,427 0.817,428 0.858,430 1.709,431 0.787,432 1.313,433 0.695,434 2.71,435 1.196,436 0.244,437 0.254,439 0.537,440 0.231,441 1.179,442 0.485,443 2.418,444 0.822,445 -0.132,446 -0.153,448 -0.321,449 -0.125,450 1.171,451 0.368,452 2.071,453 0.755,454 -0.235,455 -0.297,457 -0.538,458 -0.228,459 0.723,460 -0.062,461 1.731,462 0.515,463 -0.503,464 -0.593,466 -1.05,467 -0.503,468 12.067,469 0.464,470 0.349,471 0.013,472 33,473 1.269,474 16,475 0.615,476 17,477 0.654,478 18.787,479 0.723,480 29.333,481 0.587,482 22.318,483 0.858,484 6.61,485 0.254,486 6.128,487 0.236,488 0.055,490 0.166,496 0.836,497 1.574,498 0.862,499 1.219,500 0.562,501 1.056,502 0.562,503 1.242,504 1.006,505 1.23,506 0.505,507 1.197,508 0.989,509 0.996,510 0.989,511 0.997,512 0.936,513 0.991,514 1.156,515 1.04,516 0.947,517 0.963,518 1.094,519 0.921,520 1.429,521 0.814,522 1.07,523 0.845,524 1.593,525 0.897,526 1.282,527 0.992,528 1.082,529 0.995,530 1.341,531 1.007,532 1.166,533 0.824,534 1.137,535 0.938,536 1.21,537 1.022,538 0.965,539 0.975,540 1.064,541 1.047,542 0.99,543 1.072,544 3.5,545 0.074,546 1.111,547 1,548 0.702,549 0.292,550 0.242,551 0.118,552 0.09,553 0.051,554 10391,555 30003,556 2.018,557 48,558 4,559 8,561 4,562 4,564 4,567 1.678,568 1.95,569 3.862,570 1.773,572 1,577 79.585,578 1.592,579 3.383,580 4.084,581 4.404,582 4.404,583 4.404,584 3.239,585 3.393,586 4.676,587 4.06,588 1319.51,589 8.03,590 19520,592 1,595 282.193,596 0.991,597 4.662,598 0.13,599 0.005,600 0.035,601 0.034,602 0.027,603 0.012,604 0.011,605 0.006,606 0.005,607 0.003,608 0.267,609 0.17,610 1,611 0.465,612 135.576,613 -0.097,614 -0.248,615 0.019,616 -0.074,617 -0.015,618 -0.014,619 0.259,620 -0.067,621 -0.083,622 -0.176,623 0.147,624 -0.193,625 -0.059,626 -0.03,627 -0.01,628 -0.027,629 -0.057,630 -0.012,631 -0.1,632 -0.132,633 0.059,634 -0.027,635 -0.012,636 0.04,637 -0.064,638 0.111,639 -0.031,640 0.069,641 -0.06,642 0.029,643 -0.183,644 -0.058,645 -0.085,646 -0.026,647 -0.136,648 -0.035,649 -0.172,650 0.106,651 -0.15,652 0.029,653 -0.178,654 -0.045,655 -0.113,656 -0.048,657 -0.097,658 -0.049,659 -0.122,660 -0.067,661 1.897,662 4.664,663 0.462,664 29.538,665 1.004,666 1.143,667 0.4,668 0.16,669 0.636,670 3.332,671 3.497,672 3.584,673 3.714,674 3.784,675 3.555,676 3.526,677 3.497,678 3.332,679 3.296,680 8.904,681 0.606,682 356.48,683 3.332,684 4.779,685 5.533,686 6.319,687 7.084,688 7.874,689 8.644,690 9.436,691 10.209,692 11.002,693 12,700 4,703 2,709 8,710 2,714 2,716 12,735 50,737 14,739 27,741 51,742 18,743 10,748 2,749 2,753 2,760 4,762 12,763 6,767 2,772 2,776 2,779 1,780 1,783 24,784 8,785 4,786 8,792 6,797 1,798 2,809 2,816 2,843 2,851 26,858 6,860 4,874 4,877 2,881 13.333,882 8.4,883 6.083,884 3.003,886 1.701,887 1.265,888 0.942,889 9.118,890 8.109,891 3.584,892 3.989,893 4.324,894 4.756,895 5.147,896 4.78,897 4.88,898 5.016,899 4.49,900 4.479,901 0.9,902 29,903 9.57,905 3.804,906 7.872,907 18.095,909 13.715,911 2.372,912 61.667,916 235.422,917 102.509,918 105.614,920 50.29,923 102.509,924 285.712,925 105.614,927 86.393,928 37.905,929 130.945,930 41.703,931 8.552,932 188.338,934 235.422,935 208.123,936 50.29,939 188.338,940 97.374,943 122.582,944 51.97,945 33.571,947 235.422,948 155.904,949 102.509,952 235.422,953 28.415,954 74.095,955 72.043,956 83.861,957 235.422,958 155.904,959 102.509,961 0.541,962 0.285,963 0.15,964 0.078,965 10,966 4,967 0.176,968 9,970 1,971 4.186,972 175.379,974 12,975 96.211,981 19.826,982 11.957,983 8.976,985 155.904,986 13.588,987 7.863,991 1.335,993 72.043,994 493.835,995 35,1000 23.328,1004 -0.46,1007 50.218,1008 57.145,1009 0.282,1010 0.599,1011 0.724,1012 0.78,1013 0.78,1014 0.78,1015 4.727,1016 1.302,1017 5.407,1018 3.015,1019 4.174,1020 4.673,1021 2.361,1022 5.984,1023 4.104,1024 5.83,1025 1,1026 6.808,1027 2.73,1028 3.219,1029 3.951,1030 1.724,1031 6.293,1032 3.155,1033 7.041,1034 1,1035 8.3,1036 2.136,1037 5.533,1038 6.592,1039 3.062,1040 9.376,1041 5.385,1042 8.281,1043 0.817,1044 9.848,1045 2.136,1046 5.398,1047 6.64,1048 2.967,1049 10.568,1050 5.244,1051 9.55,1052 0.244,1053 11.435,1054 1.709,1055 7.114,1056 8.771,1057 3.917,1058 13.063,1059 6.886,1060 10.84,1061 -0.132,1062 13.049,1063 0.537,1064 7.427,1065 9.205,1066 4.084,1067 14.655,1068 7.179,1069 12.146,1070 -0.235,1071 14.681,1072 -0.321,1073 8.82,1074 11.078,1075 4.841,1076 16.895,1077 8.51,1078 2.626,1079 -0.503,1080 16.328,1081 -0.538,1082 9.397,1083 11.741,1084 5.152,1085 18.685,1086 9.056,1087 2.625,1088 7.392,1089 17.986,1090 -1.05,1091 10.604,1092 13.449,1093 5.802,1094 20.804,1095 10.212,1096 2.173,1097 7.392,1098 19.651,1099 3.476,1100 11.34,1101 14.266,1102 6.195,1103 22.696,1104 10.909,1105 2.158,1106 5.52,1107 21.322,1108 3.476,1109 12.441,1110 15.858,1111 6.783,1112 24.756,1113 11.963,1114 1.806,1115 5.516,1116 22.998,1117 2.759,1118 13.271,1119 16.785,1120 7.223,1121 26.699,1122 12.751,1123 1.485,1124 3.676,1125 24.677,1126 2.758,1127 14.312,1128 18.291,1129 7.776,1130 28.729,1131 13.749,1132 1.414,1133 3.106,1134 26.36,1135 2.016,1136 15.197,1137 19.299,1138 8.244,1139 30.7,1140 14.591,1141 10180,1142 17438,1143 18.257,1144 31.796,1145 37.337,1146 38.93,1147 37.804,1148 37.239,1149 37.3,1150 47.697,1151 7.613,1152 89.726,1153 36.044,1154 4.933,1155 5.545,1156 5.375,1157 4.63,1158 4.626,1159 6.476,1160 2.912,1161 12.803,1162 4.457,1163 9.495,1164 1.383,1165 1.442,1166 1.4,1167 1.379,1168 1.381,1169 1.767,1170 0.282,1171 3.323,1172 1.335,1173 3.905,1174 3.957,1175 3.841,1176 3.766,1177 7.433,1178 3.777,1179 3.866,1180 3.914,1181 3.809,1182 3.736,1183 7.429,1184 3.747,1185 3.761,1186 3.826,1187 3.619,1188 3.625,1189 4.917,1190 3.611,1191 3.591,1192 3.661,1193 3.489,1194 3.359,1195 4.898,1196 3.373,1197 3.421,1198 3.479,1199 3.335,1200 3.132,1201 4.269,1202 3.179,1203 3.232,1204 3.295,1205 3.092,1206 2.983,1207 4.164,1208 3.01,1209 2.973,1210 3.07,1211 2.794,1212 2.769,1213 3.997,1214 2.761,1215 2.82,1216 2.893,1217 2.681,1218 2.652,1219 3.918,1220 2.653,1221 0.147,1222 0.131,1223 0.203,1224 0.133,1225 0.097,1226 3.963,1227 0.129,1228 3.545,1229 0.061,1230 5.484,1231 0.274,1232 3.588,1233 0.093,1234 2.626,1235 3.476,1236 1.656,1237 7.392,1238 2.519,1239 1.827,1240 1.784,1241 2.02,1242 1.997,1243 1.366,1244 1.995,1245 1.823,1246 1.782,1247 1.937,1248 1.983,1249 1.074,1250 1.971,1251 1.764,1252 1.701,1253 1.933,1254 1.929,1255 0.946,1256 1.946,1257 1.532,1258 1.459,1259 1.786,1260 1.785,1261 0.943,1262 1.784,1263 1.295,1264 1.234,1265 1.511,1266 1.609,1267 0.683,1268 1.579,1269 1.142,1270 1.085,1271 1.338,1272 1.437,1273 0.346,1274 1.418,1275 0.957,1276 0.872,1277 1.245,1278 1.23,1279 0.271,1280 1.247,1281 0.807,1282 0.744,1283 1.108,1284 1.041,1285 0.227,1286 1.069,1287 4.007,1289 5.209,1291 6.581,1293 8.027,1295 9.512,1303 4.977,1305 11.036,1314 30.299,1315 79.585,1316 169.173,1317 204.193,1318 220.193,1319 220.193,1320 220.193,1321 52.766,1322 6.409,1323 108.04,1324 108.04,1325 12,1326 11.609,1327 3.907,1328 3.17,1329 55.827,1330 143,1331 106,1332 0.181,1333 193.985,1334 335.9,1335 465.083,1336 5732,1338 18.452,1339 0.71,1340 0.56,1341 18.452,1342 14.572,1343 12.737,1344 0.472,1345 0.32,1346 8.5,1347 12.179,1348 8.381,1349 7.04,1350 12.737,1351 8.636,1352 10.388,1353 0.325,1354 0.177,1355 10.388,1356 5.659,1357 7.565,1358 0.216,1359 0.1,1360 7.565,1361 3.513,1362 5.912,1363 0.148,1364 0.056,1365 5.912,1366 2.231,1367 4.343,1368 0.101,1369 0.032,1370 4.343,1371 1.356,1372 0.309,1373 80.303,1374 0.234,1375 26.818,1376 0.437,1377 118,1378 386.093,1379 133.085,1380 371.962,1381 490.52,1382 346,1383 126,1384 343.385,1385 139.036,1386 345.861,1387 488.56,1388 324,1389 5.1}
{0 CHEMBL1998414,1 1.796,2 10.286,3 3.409,4 11.623,5 87.35,6 9.138,7 0.652,8 3.669,9 3.776,10 3.461,11 3.329,12 4.801,13 3.271,14 4.166,15 4.312,16 3.877,17 3.723,18 5.285,19 3.636,20 4.339,21 4.519,22 3.847,23 3.731,24 5.438,25 3.618,26 4.332,27 4.547,28 3.489,29 3.578,30 5.369,31 3.427,32 4.164,33 4.391,34 3.342,35 3.404,36 5.213,37 3.249,38 3.978,39 4.173,40 3.327,41 3.286,42 5.152,43 3.174,44 3.95,45 4.132,46 3.287,47 3.235,48 5.182,49 3.133,50 3.782,51 3.957,52 3.198,53 3.226,54 4.844,55 3.08,56 0.065,57 0.52,58 5.417,59 3.059,60 5.853,61 3.604,62 0.147,63 0.832,64 11.885,65 5.451,66 14.52,67 6.539,68 0.23,69 0.938,70 20.174,71 6.974,72 24.401,73 8.05,74 0.262,75 0.887,76 21.136,77 7.285,78 35.089,79 8.336,80 0.255,81 0.772,82 20.548,83 6.949,84 30.534,85 7.798,86 0.21,87 0.623,88 15.486,89 5.096,90 21.794,91 5.858,92 0.312,93 0.577,94 13.926,95 4.314,96 40.597,97 4.381,98 0.148,99 0.525,100 12.319,101 4.387,102 18.697,103 4.711,104 10,105 32,106 0.326,107 0.699,108 0.805,109 0.844,110 0.844,111 0.844,112 3.102,113 1.017,114 -3.89,115 -3.84,116 -3.65,119 42.9,120 1,121 1,125 1,142 5,143 2,144 1,152 2,158 1,161 1,168 1,172 6,175 2,178 1,180 3,183 11,188 4,193 5,196 7,200 2,205 3,208 2,212 1,213 1,216 1,218 2,221 3,225 3,228 1,229 1,230 1,233 3,238 3,243 1,246 5,250 1,255 1,258 7,264 3,269 1,272 3,276 561,277 14.085,278 14.085,279 14.085,280 14.085,281 14.085,282 12.165,283 11.772,284 8.258,285 14.507,286 11.332,287 11.332,288 11.332,289 11.332,290 11.332,291 8.399,292 8.296,293 3.942,294 12.066,295 3.333,296 1.282,297 0.696,298 0.479,299 0.479,300 0.479,301 3.78,302 1,304 1,305 1,306 1,307 469,308 3,311 102.071,312 74.595,314 83.58,319 1.537,320 17.676,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 44.833,332 216,333 4.597,334 3.573,335 6.561,336 4.084,337 3.141,338 4.562,339 1.058,340 10.387,341 2.96,342 4.014,343 3.09,344 5.922,345 3.61,346 2.636,347 3.614,349 8.161,350 2.563,351 3.945,352 2.963,353 5.412,354 3.552,355 2.58,356 3.35,358 7.153,359 2.5,360 3.424,361 2.586,362 4.941,363 3.012,364 2.11,365 2.708,367 5.697,368 1.816,369 3.247,370 2.128,371 4.888,372 2.74,373 1.837,374 2.524,376 5.358,377 1.635,378 2.906,379 1.63,380 4.218,381 2.422,382 1.478,383 2.051,385 3.884,386 1.38,387 2.521,388 1.525,389 3.984,390 2.137,391 1.179,392 1.517,394 3.05,395 1.116,396 2.5,397 1.163,398 3.414,399 2,400 1,401 1.5,403 2.275,404 1,405 2.176,406 1,407 3.284,408 1.783,409 0.812,410 1.044,412 1.947,413 0.765,414 1.779,415 0.722,416 3.062,417 1.261,418 0.346,419 0.484,421 0.859,422 0.309,423 1.323,424 0.466,425 2.584,426 0.977,427 0.051,428 0.061,430 0.111,431 0.041,432 0.781,433 0.13,434 2,435 0.409,436 -0.497,437 -0.589,439 -1.09,440 -0.387,441 0.5,442 -0.449,443 2,444 0.103,445 -0.832,446 -1.046,448 -2.112,449 -0.774,450 0.491,451 -0.582,452 2,454 -1,455 -1.359,457 -2.828,458 -0.962,459 0.286,460 -0.973,461 1.665,462 -0.121,463 -1.129,464 -1.5,466 -3,467 -1,468 10.581,469 0.504,470 0.541,471 0.026,472 26.5,473 1.262,474 13.5,475 0.643,476 13,477 0.619,478 16.461,479 0.784,480 21.819,481 0.623,482 15.945,483 0.759,484 5.149,485 0.245,486 4.982,487 0.237,488 0.146,490 0.331,496 0.645,497 0.949,498 0.612,499 0.742,500 0.552,501 0.77,502 0.628,503 1.083,504 0.672,505 0.844,506 0.539,507 0.837,508 0.984,509 1.19,510 1,511 1.145,512 0.948,513 1.07,514 1.234,515 1.091,516 1.064,517 1.099,518 1.403,519 1.151,520 0.864,521 1.054,522 1.036,523 1.202,524 1.072,525 1.04,526 1.042,527 1.008,528 1.118,529 1.129,530 1.094,531 1.061,532 2.055,533 0.697,534 1.155,535 0.795,536 2.54,537 0.949,538 1.218,539 0.924,540 1.241,541 1.114,542 1.302,543 1.069,544 4.5,545 0.062,546 2.667,547 1.264,548 0.917,549 0.455,550 0.38,551 0.143,552 0.161,553 0.145,554 4987,555 16072,556 2.074,557 40,559 7,562 2,563 3,564 2,567 1.623,568 1.938,569 3.339,570 0.378,572 1,574 1,577 62.864,578 1.796,579 3.847,580 4.433,581 4.651,582 4.651,583 4.651,584 2.761,585 4.202,586 4.367,587 3.485,588 731.862,589 7.435,590 8096.22,591 1,592 1,593 1,594 1,595 179.525,596 1.418,597 4.322,598 0.196,599 0.005,600 0.083,601 0.045,602 0.046,603 0.025,604 0.021,605 0.009,606 0.011,607 0.01,608 0.452,609 0.33,610 1,611 0.61,612 97.102,613 -0.004,614 0.15,615 0.025,616 0.099,617 -0.042,618 0.063,619 0.086,620 -0.032,621 0.106,622 0.079,623 0.077,624 0.065,625 -0.053,626 -0.197,627 -0.036,628 -0.162,629 -0.036,630 -0.118,631 -0.187,632 -0.143,633 -0.151,634 -0.136,635 -0.201,636 -0.173,637 0.096,638 -0.082,639 -0.061,640 -0.103,641 0.064,642 -0.009,643 0.065,644 -0.038,645 -0.128,646 -0.155,647 0.102,648 -0.1,649 -0.429,650 0.279,651 -0.207,652 0.115,653 -0.418,654 -0.057,655 -0.251,656 0.08,657 -0.206,658 -0.032,659 -0.218,660 -0.094,661 1.716,662 5.108,663 0.667,664 16.748,665 1.01,666 1.116,667 2.658,668 7.063,669 0.73,670 3.178,671 3.497,672 3.738,673 3.951,674 4.078,675 4.094,676 4.06,677 3.932,678 3.912,679 3.951,680 6.087,681 0.684,682 319.84,683 3.178,684 4.71,685 5.549,686 6.415,687 7.274,688 8.145,689 9.013,690 9.888,691 10.761,692 11.639,693 8.6,700 1,701 1,703 1,708 2,709 5,710 1,711 1,713 1,714 4,716 15,723 1,734 1,735 35,737 16,738 1,739 23,741 37,742 15,743 11,744 2,745 4,746 1,748 3,749 4,750 1,754 1,760 1,762 12,763 3,767 1,772 1,776 1,779 1,780 1,783 14,784 3,785 2,786 6,787 2,792 3,797 0.667,798 1,807 1,815 2,816 1,818 1,843 2,845 1,847 1,848 1,851 21,858 2,860 1,869 1,873 1,874 2.9,877 1,881 10.833,882 6.593,883 4.583,884 2.045,886 2.683,887 1.403,888 1.012,889 4.266,890 9.339,891 3.481,892 4.119,893 4.723,894 5.304,895 5.718,896 5.974,897 6.171,898 6.039,899 6.008,900 6.049,901 0.857,902 28,903 7.734,905 3.268,906 7.767,907 14.75,909 12.061,911 2.267,912 47.611,916 141.253,917 110.52,918 51.337,919 39.149,920 25.145,922 31.278,923 79.243,924 205.547,925 51.337,926 8.825,927 22.651,928 47.381,929 46.83,930 25.922,931 4.115,932 172.531,933 39.149,934 141.253,935 130.579,936 25.145,937 70.426,939 117.711,940 48.687,943 48.456,944 65.46,945 55.812,946 31.278,947 141.253,948 76.482,949 149.669,952 141.253,953 54.314,954 56.206,955 34.674,956 80.957,957 141.253,958 76.482,959 149.669,961 0.586,962 0.336,963 0.169,964 0.09,965 16,966 7,967 0.108,968 4,969 1,970 1.143,971 3.478,972 153.496,973 0.143,974 14,975 88.239,977 1,981 14.544,982 6.16,983 3.273,984 1.887,985 59.819,986 9.538,987 4.158,988 2.91,990 1.403,991 3.554,993 34.674,994 367.404,995 31.5,1000 12.108,1004 -0.05,1007 35.334,1008 39.06,1009 0.35,1010 0.75,1011 0.864,1012 0.907,1013 0.907,1014 0.907,1015 4.698,1016 1,1017 5.533,1018 3.05,1019 4.174,1020 4.804,1021 1.176,1022 6.315,1023 4.057,1024 5.921,1025 0.812,1026 7.079,1027 2.275,1028 3.761,1029 4.677,1031 7.154,1032 3.563,1033 7.234,1034 0.346,1035 8.721,1036 1.947,1037 5.746,1038 7.07,1039 1.255,1040 10.223,1041 5.535,1042 8.587,1043 0.051,1044 10.42,1045 0.859,1046 6.155,1047 7.81,1049 11.916,1050 5.87,1051 9.972,1052 -0.497,1053 12.155,1054 0.111,1055 7.608,1056 9.663,1057 1.338,1058 14.494,1059 7.305,1060 11.382,1061 -0.832,1062 13.916,1063 -1.09,1064 8.392,1065 10.807,1067 16.55,1068 8.018,1069 12.81,1070 -1,1071 15.698,1072 -2.112,1073 9.639,1074 12.451,1075 1.422,1076 18.964,1077 9.233,1078 3.141,1079 -1.129,1080 17.495,1081 -2.828,1082 10.601,1083 13.79,1085 21.178,1086 10.125,1087 2.636,1088 10.387,1089 19.304,1090 -3,1091 11.767,1092 15.351,1093 1.51,1094 23.536,1095 11.248,1096 2.58,1097 8.161,1098 21.125,1099 4.562,1100 12.815,1101 16.782,1103 25.819,1104 12.226,1105 2.11,1106 7.153,1107 22.953,1108 3.614,1109 13.953,1110 18.312,1111 1.599,1112 28.16,1113 13.312,1114 1.837,1115 5.697,1116 24.789,1117 3.35,1118 15.043,1119 19.787,1121 30.472,1122 14.335,1123 1.478,1124 5.358,1125 26.631,1126 2.708,1127 16.174,1128 21.305,1129 1.69,1130 32.809,1131 15.407,1132 1.179,1133 3.884,1134 28.478,1135 2.524,1136 17.286,1137 22.802,1139 35.136,1140 16.453,1141 4795,1142 8721,1143 15.315,1144 25.546,1145 34.83,1146 35.836,1147 35.718,1148 34.494,1149 34.342,1150 46.83,1151 2.117,1152 97.765,1153 32.172,1154 5.497,1155 5.573,1156 6.11,1157 5.237,1158 5.141,1159 7.562,1160 2.117,1161 17.06,1162 4.96,1163 9.931,1164 1.514,1165 1.558,1166 1.553,1167 1.5,1168 1.493,1169 2.036,1170 0.092,1171 4.251,1172 1.399,1173 4.103,1174 4.129,1175 4.351,1176 4.07,1177 7.429,1178 4.027,1179 3.924,1180 3.952,1181 3.996,1182 3.873,1183 5.055,1184 3.862,1185 3.584,1186 3.639,1187 3.575,1188 3.382,1189 4.939,1190 3.395,1191 3.332,1192 3.384,1193 3.452,1194 3.222,1195 4.359,1196 3.19,1197 3.054,1198 3.127,1199 3.22,1200 2.869,1201 4.185,1202 2.86,1203 2.878,1204 2.972,1205 2.879,1206 2.735,1207 3.984,1208 2.715,1209 2.854,1210 2.925,1211 2.687,1212 2.643,1213 3.829,1214 2.639,1215 2.678,1216 2.716,1217 2.675,1218 2.43,1219 3.674,1220 2.455,1221 0.2,1222 0.155,1223 0.285,1224 0.178,1225 0.137,1226 4.597,1227 0.198,1228 3.573,1229 0.046,1230 6.561,1231 0.452,1232 4.084,1233 0.129,1234 3.141,1235 4.562,1236 1.058,1237 10.387,1238 2.96,1239 1.916,1240 1.891,1241 2.03,1242 1.999,1243 1.229,1244 2.015,1245 1.702,1246 1.673,1247 1.836,1248 1.847,1249 0.985,1250 1.843,1251 1.538,1252 1.52,1253 1.71,1254 1.736,1255 0.885,1256 1.733,1257 1.363,1258 1.33,1259 1.485,1260 1.553,1261 0.631,1262 1.528,1263 1.282,1264 1.213,1265 1.28,1266 1.434,1267 0.52,1268 1.47,1269 0.886,1270 0.821,1271 1.181,1272 1.159,1273 0.242,1274 1.182,1275 0.874,1276 0.813,1277 1.152,1278 1.062,1279 0.218,1280 1.107,1281 0.737,1282 0.632,1283 0.975,1284 0.968,1285 0.028,1286 1.02,1287 3.85,1289 5.165,1290 3.045,1291 6.65,1292 5.416,1293 8.215,1294 7.506,1295 9.826,1297 1.949,1298 5.84,1303 1.381,1305 2.933,1314 23.954,1315 62.864,1316 134.654,1317 155.16,1318 162.77,1319 162.77,1320 162.77,1321 30.912,1322 6.657,1323 57.78,1324 86.02,1325 16,1326 12.178,1327 4.087,1328 3.248,1329 32.552,1330 77,1331 74,1332 0.205,1333 155.827,1334 255.31,1335 371.977,1336 6564,1337 2.9,1338 14.82,1339 0.706,1340 0.62,1341 15.673,1342 13.015,1343 10.131,1344 0.44,1345 0.339,1346 6.641,1347 9.116,1348 6.351,1349 5.26,1350 10.828,1351 7.799,1352 9.244,1353 0.289,1354 0.196,1355 10.295,1356 6.278,1357 7.722,1358 0.188,1359 0.111,1360 8.851,1361 4.558,1362 5.968,1363 0.117,1364 0.063,1365 7.018,1366 3.188,1367 4.561,1368 0.079,1369 0.037,1370 5.609,1371 2.14,1372 0.33,1373 69.984,1374 0.256,1375 21.319,1376 0.537,1377 110,1378 325.11,1379 159.075,1380 369.613,1381 494.1,1382 344,1383 128,1384 324.383,1385 169.826,1386 355.213,1387 517.75,1388 334,1389 5.1}
{0 CHEMBL1998432,1 1.573,2 9.333,3 2.612,4 6.821,5 96.671,6 7.974,7 0.593,8 3.882,9 4.02,10 3.51,11 3.427,12 4.947,13 3.407,14 4.427,15 4.606,16 3.911,17 3.852,18 5.472,19 3.799,20 4.729,21 4.976,22 3.891,23 3.962,24 5.634,25 3.865,26 4.718,27 4.989,28 3.878,29 3.873,30 5.653,31 3.771,32 4.58,33 4.843,34 3.777,35 3.767,36 5.55,37 3.676,38 4.439,39 4.665,40 3.887,41 3.723,42 5.523,43 3.642,44 4.349,45 4.548,46 3.71,47 3.677,48 5.426,49 3.565,50 4.269,51 4.479,52 3.518,53 3.589,54 5.25,55 3.45,56 0.047,57 0.701,58 8.41,59 3.413,60 9.011,61 4.733,62 0.209,63 1.121,64 16.631,65 6.338,66 22.549,67 8.898,68 0.248,69 1.328,70 26.787,71 8.411,72 32.138,73 12.336,74 0.381,75 1.248,76 28.214,77 8.172,78 39.189,79 12.282,80 0.322,81 1.1,82 24.92,83 6.674,84 36.496,85 9.871,86 0.331,87 0.956,88 23.175,89 6.297,90 33.167,91 8.818,92 0.341,93 0.842,94 24.306,95 5.992,96 34.383,97 8.001,98 0.184,99 0.769,100 20.704,101 6.249,102 25.549,103 8.541,104 5,105 38,106 0.273,107 0.651,108 0.802,109 0.886,110 0.902,111 0.902,112 3.229,113 0.951,114 -3.89,115 -3.85,116 -3.65,119 39.5,121 4,127 2,142 3,143 2,145 1,146 1,147 1,150 1,151 1,161 1,163 1,164 1,165 1,172 5,174 1,175 6,178 3,180 6,183 7,185 2,188 3,193 3,196 3,198 1,200 7,203 1,204 1,205 7,207 1,208 2,210 1,212 1,213 5,218 1,221 2,225 3,227 2,228 3,229 1,230 2,233 7,237 1,238 2,241 1,243 1,246 6,255 5,258 6,260 3,264 2,269 2,272 4,274 1,276 766,277 16.394,278 16.394,279 16.394,280 16.394,281 16.394,282 14.552,283 14.25,284 9.726,285 16.865,286 13.392,287 13.392,288 13.392,289 13.392,290 13.392,291 10.612,292 24.407,293 4.684,294 14.227,295 3.854,296 1.682,297 0.808,298 0.326,299 0.233,300 0.233,301 3.929,303 1,304 1,305 1,306 1,307 496,308 2.236,311 46.976,312 205.766,315 89.587,319 1.5,320 20.033,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 51.333,332 224,333 4.6,334 3.205,335 6.714,336 4.141,337 3.167,338 4.535,339 0.4,340 10.928,341 3.088,342 4.152,343 2.979,344 5.874,345 3.72,346 2.786,347 3.816,349 8.394,350 2.626,351 3.689,352 2.779,353 5.592,354 3.545,355 2.592,356 2.96,358 7.591,359 2.445,360 3.521,361 2.407,362 5.275,363 3.139,364 2.196,365 2.699,367 6.607,368 2.066,369 3.279,370 2.275,371 4.857,372 2.925,373 2.035,374 2.455,376 5.572,377 1.804,378 3.046,379 1.893,380 4.589,381 2.651,382 1.738,383 2.319,385 4.842,386 1.521,387 2.936,388 1.547,389 4.499,390 2.513,391 1.547,392 2.122,394 4.227,395 1.488,396 2.84,397 1.456,398 4.004,399 2.374,400 1.434,401 1.866,403 3.443,404 1.322,405 2.524,406 1.208,407 3.564,408 2.176,409 1.183,410 1.535,412 2.596,413 1.173,414 2.189,415 1.035,416 3.481,417 1.988,418 1.027,419 1.188,421 2.554,422 0.981,423 1.973,424 0.495,425 3.094,426 1.428,427 0.488,428 0.721,430 1.178,431 0.457,432 1.176,433 0.223,434 2.946,435 0.94,441 0.948,442 0.146,443 2.556,444 0.548,445 -0.393,446 -0.416,448 -0.928,449 -0.248,450 0.737,451 -0.251,452 2.282,453 0.407,454 -0.42,455 -0.506,457 -1.028,458 -0.396,459 0.656,460 -0.563,461 2,462 0.321,463 -0.609,464 -0.767,466 -1.655,467 -0.568,468 11.614,469 0.484,470 0.571,471 0.024,472 31,473 1.292,474 14.5,475 0.604,476 16.5,477 0.688,478 20.023,479 0.834,480 25.586,481 0.595,482 19.809,483 0.825,484 5.598,485 0.233,486 6.089,487 0.254,488 0.096,490 0.344,496 0.94,497 1.336,498 0.648,499 0.919,500 0.938,501 0.86,502 0.602,503 1.15,504 0.697,505 1.049,506 0.562,507 1.01,508 0.98,509 1.13,510 0.815,511 0.953,512 0.944,513 0.953,514 0.781,515 0.968,516 0.693,517 0.851,518 0.762,519 0.847,520 1.288,521 0.915,522 0.921,523 0.747,524 1.201,525 0.803,526 1.161,527 0.925,528 1.153,529 0.903,530 1.074,531 0.876,532 1.728,533 0.882,534 1.939,535 1.227,536 1.679,537 1.194,538 1.096,539 1.144,540 1.519,541 1.377,542 1.075,543 1.282,544 5,545 0.074,546 2,547 1.882,548 1.023,549 0.563,550 0.554,551 0.273,552 0.185,553 0.079,554 6552,555 16467,556 2.161,557 44.2,558 2,559 5,560 1,561 1,562 4,564 4,565 2,567 1.671,568 2.057,569 3.227,570 1.819,571 1,572 1,574 1,577 67.622,578 1.573,579 3.744,580 4.618,581 5.101,582 5.194,583 5.194,584 2.69,585 4.252,586 4.559,587 3.367,588 929.313,589 7.874,590 10763.3,592 1,594 1,595 233.329,596 1.281,597 4.532,598 0.185,599 0.006,600 0.053,601 0.052,602 0.031,603 0.019,604 0.018,605 0.011,606 0.009,607 0.005,608 0.389,609 0.33,610 1,611 0.49,612 113.214,613 -0.134,614 -0.099,615 0.014,616 0.039,617 -0.114,618 0.057,619 0.223,620 -0.009,621 0.037,622 -0.087,623 0.221,624 -0.068,625 -0.095,626 -0.137,627 0.02,628 -0.002,629 -0.046,630 0.015,631 0.159,632 -0.019,633 0.18,634 0.088,635 0.148,636 0.124,637 -0.171,638 0.074,639 0.05,640 0.178,641 -0.151,642 0.135,643 0.114,644 0.088,645 0.095,646 0.092,647 0.099,648 0.078,649 -0.263,650 0.139,651 -0.372,652 -0.162,653 -0.307,654 -0.232,655 -0.064,656 -0.196,657 -0.208,658 -0.279,659 -0.009,660 -0.25,661 1.249,662 2.112,663 0.875,664 18.424,665 1.003,666 1.136,667 2.659,668 7.07,669 0.68,670 3.332,671 3.664,672 3.932,673 4.248,674 4.443,675 4.522,676 4.625,677 4.796,678 4.787,679 4.898,680 5.677,681 0.643,682 342.87,683 3.332,684 4.875,685 5.727,686 6.613,687 7.48,688 8.373,689 9.247,690 10.143,691 11.021,692 11.918,693 14,694 1,698 1,701 1,703 3,708 2,709 5,710 3,711 1,714 4,716 16,728 1,734 1,735 43,737 16,739 27,741 46,742 17,743 11,748 4,749 5,750 1,757 6,760 6,762 11,763 6,779 1,780 1,783 19,784 5,785 4,786 7,787 1,792 6,797 0.75,809 1,810 1,811 1,815 1,816 3,819 1,836 1,843 3,848 1,851 24,852 1,858 4,860 1,863 2,873 1,881 11.667,882 7.41,883 5.167,884 2.665,886 3.213,887 1.435,888 1.02,889 4.293,890 10.598,891 3.584,892 4.201,893 4.811,894 5.461,895 5.986,896 6.346,897 6.79,898 7.253,899 7.454,900 7.833,901 1,902 36,903 8.85,905 3.819,906 7.616,907 17.171,909 14.587,911 2.116,912 50.778,915 1,916 176.567,917 71.863,918 118.05,919 39.149,923 71.863,924 215.715,925 118.05,927 43.035,928 37.476,929 81.854,930 34.348,931 55.891,932 153.024,934 176.567,935 189.913,937 39.149,939 105.94,940 70.627,943 75.239,944 46.306,945 68.367,946 39.149,947 176.567,948 118.05,949 111.012,952 176.567,953 25.34,954 46.524,955 34.796,956 122.402,957 176.567,958 118.05,959 111.012,961 0.582,962 0.333,963 0.192,964 0.103,965 20,966 8,967 0.065,968 3,969 1,970 1.095,971 3.668,972 201.371,973 0.095,974 21,975 110.039,981 15.67,982 6.575,983 3.356,984 1.841,985 101.265,986 9.35,987 13.282,988 3.161,991 2.707,993 67.693,994 405.628,995 35,1007 43.12,1008 48.84,1009 0.29,1010 0.69,1011 0.851,1012 0.94,1013 0.957,1014 0.957,1015 4.82,1016 1.434,1017 5.707,1018 4.227,1019 4.344,1020 4.887,1021 0.278,1022 6.509,1023 4.233,1024 6.019,1025 1.183,1026 7.251,1027 3.443,1028 3.892,1029 4.677,1031 7.345,1032 3.704,1033 7.32,1034 1.027,1035 8.891,1036 2.596,1037 5.922,1038 7.11,1039 0.05,1040 10.469,1041 5.726,1042 8.657,1043 0.488,1044 10.589,1045 2.554,1046 6.275,1047 7.778,1049 12.173,1050 6.032,1051 10.029,1053 12.327,1054 1.178,1055 7.778,1056 9.679,1057 0.008,1058 14.807,1059 7.52,1060 11.427,1061 -0.393,1062 14.094,1064 8.528,1065 10.783,1067 16.898,1068 8.241,1069 12.847,1070 -0.42,1071 15.883,1072 -0.928,1073 9.806,1074 12.453,1075 0.001,1076 19.364,1077 9.498,1078 3.167,1079 -0.609,1080 17.691,1081 -1.028,1082 10.754,1083 13.77,1085 21.624,1086 10.425,1087 2.786,1088 10.928,1089 19.514,1090 -1.655,1091 11.937,1092 15.34,1094 24.034,1095 11.587,1096 2.592,1097 8.394,1098 21.349,1099 4.535,1100 12.982,1101 16.756,1103 26.366,1104 12.612,1105 2.196,1106 7.591,1107 23.194,1108 3.816,1109 14.129,1110 18.285,1112 28.76,1113 13.739,1114 2.035,1115 6.607,1116 25.049,1117 2.96,1118 15.221,1119 19.749,1121 31.124,1122 14.812,1123 1.738,1124 5.572,1125 26.91,1126 2.699,1127 16.357,1128 21.262,1130 33.513,1131 15.928,1132 1.547,1133 4.842,1134 28.779,1135 2.455,1136 17.473,1137 22.747,1139 35.891,1140 17.024,1141 6146,1142 9917,1143 18.493,1144 29.222,1145 40.98,1146 40.638,1147 41.421,1148 40.591,1149 40.386,1150 52.433,1151 0.8,1152 115.865,1153 37.944,1154 5.6,1155 5.205,1156 6.396,1157 5.216,1158 5.167,1159 7.535,1160 0.8,1161 18.11,1162 5.088,1163 8.707,1164 1.518,1165 1.505,1166 1.534,1167 1.503,1168 1.496,1169 1.942,1170 0.03,1171 4.291,1172 1.405,1173 4.125,1174 4.165,1175 4.113,1176 4.014,1177 5.141,1178 4.029,1179 3.902,1180 3.964,1181 3.918,1182 3.764,1183 5.008,1184 3.761,1185 3.75,1186 3.8,1187 3.737,1188 3.607,1189 4.998,1190 3.62,1191 3.369,1192 3.435,1193 3.355,1194 3.219,1195 4.507,1196 3.224,1197 3.25,1198 3.344,1199 3.24,1200 3.038,1201 4.344,1202 3.039,1203 3.165,1204 3.258,1205 3.034,1206 2.975,1207 4.151,1208 2.956,1209 2.875,1210 2.944,1211 2.943,1212 2.666,1213 3.922,1214 2.692,1215 2.789,1216 2.865,1217 2.747,1218 2.598,1219 3.745,1220 2.603,1221 0.17,1222 0.119,1223 0.249,1224 0.153,1225 0.117,1226 4.6,1227 0.168,1228 3.205,1229 0.015,1230 6.714,1231 0.405,1232 4.141,1233 0.114,1234 3.167,1235 4.535,1236 0.4,1237 10.928,1238 3.088,1239 1.91,1240 1.879,1241 2.085,1242 2.058,1243 1.464,1244 2.066,1245 1.868,1246 1.816,1247 1.967,1248 2.001,1249 1.082,1250 1.995,1251 1.72,1252 1.676,1253 1.79,1254 1.903,1255 0.845,1256 1.881,1257 1.387,1258 1.323,1259 1.545,1260 1.626,1261 0.797,1262 1.611,1263 1.217,1264 1.132,1265 1.524,1266 1.488,1267 0.771,1268 1.504,1269 1.176,1270 1.089,1271 1.459,1272 1.406,1273 0.496,1274 1.438,1275 0.999,1276 0.951,1277 1.161,1278 1.147,1279 0.274,1280 1.16,1281 0.739,1282 0.664,1283 1.045,1284 0.999,1285 0.077,1286 1.023,1287 4.007,1289 5.333,1290 2.398,1291 6.849,1292 4.727,1293 8.454,1294 6.843,1295 10.105,1298 6.223,1301 6.06,1303 4.223,1305 3.39,1308 0.541,1314 27.644,1315 67.622,1316 160.991,1317 198.574,1318 219.329,1319 223.329,1320 223.329,1321 32.222,1322 7.385,1323 92.51,1324 92.51,1325 23,1326 12.446,1327 4.087,1328 3.17,1329 33.804,1330 82,1331 74,1332 0.204,1333 172.874,1334 283.25,1335 413.571,1336 16016,1337 2.3,1338 16.518,1339 0.688,1340 0.58,1341 17.018,1342 13.923,1343 11.687,1344 0.433,1345 0.317,1346 8.117,1347 11.035,1348 7.96,1349 6.567,1350 11.975,1351 8.558,1352 10.761,1353 0.283,1354 0.175,1355 11.17,1356 6.657,1357 8.783,1358 0.176,1359 0.093,1360 9.018,1361 4.664,1362 7.954,1363 0.115,1364 0.051,1365 8.272,1366 3.513,1367 6.154,1368 0.073,1369 0.028,1370 6.385,1371 2.334,1372 0.315,1373 75.717,1374 0.233,1375 23.246,1376 0.572,1377 130,1378 335.117,1379 157.021,1380 362.99,1381 499.28,1382 340,1383 153,1384 359.539,1385 173.416,1386 374.279,1387 551.21,1388 354,1389 7.5}
{0 CHEMBL1998435,1 1.49,2 9.1,3 1.764,4 3.112,5 80.13,6 7.581,7 0.773,8 3.66,9 3.777,10 3.244,11 3.241,12 4.814,13 3.222,14 4.129,15 4.288,16 3.534,17 3.605,18 5.227,19 3.56,20 4.354,21 4.564,22 3.552,23 3.721,24 5.375,25 3.638,26 4.315,27 4.533,28 3.399,29 3.647,30 5.283,31 3.537,32 4.272,33 4.512,34 3.326,35 3.545,36 5.26,37 3.434,38 4.145,39 4.378,40 3.193,41 3.407,42 5.12,43 3.301,44 4.015,45 4.245,46 3.055,47 3.245,48 5.016,49 3.14,50 3.892,51 4.146,52 2.834,53 3,54 4.899,55 2.897,56 0.032,57 0.509,58 6.782,59 2.996,60 8.549,61 3.833,62 0.12,63 0.802,64 11.854,65 4.786,66 16.883,67 6.263,68 0.194,69 0.954,70 16.311,71 6.278,72 24.746,73 8.631,74 0.102,75 0.906,76 15.658,77 6.315,78 19.318,79 8.74,80 0.152,81 0.85,82 15.668,83 6.032,84 24.331,85 8.543,86 0.099,87 0.74,88 13.731,89 5.279,90 17.87,91 7.318,92 0.074,93 0.647,94 11.998,95 4.585,96 15.996,97 6.356,98 0.101,99 0.572,100 11.122,101 3.675,102 17.512,103 5.191,104 5,105 29,106 0.271,107 0.606,108 0.774,109 0.869,110 0.869,111 0.869,112 3.058,113 0.889,114 -3.14,115 -3.13,116 -3.01,119 45.7,125 2,142 6,143 4,145 3,147 1,172 10,175 4,178 1,180 1,183 13,188 3,192 1,193 1,196 11,200 3,205 2,208 7,213 3,216 1,218 3,221 4,225 3,230 3,238 4,243 4,255 2,263 1,267 1,269 2,276 484,277 14.008,278 14.008,279 14.008,280 14.008,281 14.008,282 12.08,283 7.215,284 8.676,285 14.248,286 10.874,287 10.874,288 10.874,289 10.874,290 10.874,291 8.012,292 11.409,293 4.121,294 11.253,295 3.639,296 1.794,297 0.865,298 0.343,299 0.343,300 0.343,301 3.746,304 1,305 1,306 1,307 390,308 2.345,312 153.96,316 80.765,319 1.42,320 12.093,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 42.5,332 182,333 4.473,334 3.031,335 6.303,336 4.013,337 3.019,338 4.396,339 0.4,340 9.637,341 3.002,342 4.095,343 2.737,344 6.011,345 3.692,346 2.705,347 3.695,349 8.632,350 2.671,351 3.633,352 2.413,353 5.256,354 3.224,355 2.277,356 3.049,358 6.667,359 2.151,360 3.289,361 1.827,362 4.533,363 2.781,364 1.813,365 2.657,367 4.681,368 1.755,369 3.064,370 1.74,371 4.339,372 2.562,373 1.578,374 2.338,376 4.178,377 1.55,378 2.665,379 1.568,380 3.519,381 2.346,382 1.417,383 1.741,385 2.752,386 1.31,387 2.5,388 1.177,389 3.453,390 2.121,391 1.163,392 1.5,394 2.611,395 1.111,396 2.481,397 1,398 3.264,399 1.984,400 1,401 1.479,403 2.136,404 0.983,405 2.204,406 0.878,407 3.247,408 1.702,409 0.744,410 1.074,412 1.744,413 0.71,414 1.435,415 0.641,416 2.627,417 1.186,418 0.289,419 0.319,421 0.489,422 0.257,423 1.085,424 -0.228,425 2.551,426 0.64,427 -0.332,428 -0.448,430 -0.755,431 -0.32,432 0.918,433 -0.38,434 2.263,435 0.498,436 -0.452,437 -0.595,439 -1.116,440 -0.43,441 0.656,442 -0.807,443 2.122,444 0.163,445 -0.817,446 -1.173,448 -1.939,449 -0.798,450 0.5,451 -0.864,452 1.803,453 -0.036,454 -1,455 -1.236,457 -2.152,458 -0.946,459 0.417,460 -1,461 1.555,462 -0.049,463 -1,464 -1.5,466 -2.347,467 -0.955,468 9.533,469 0.477,470 0.307,471 0.015,472 29.25,473 1.463,474 16.5,475 0.825,476 12.75,477 0.638,478 11.514,479 0.576,480 20.467,481 0.585,482 18.472,483 0.924,484 5.939,485 0.297,486 3.925,487 0.196,488 0.035,490 0.262,496 0.981,497 1.165,498 0.797,499 0.936,500 0.971,501 0.86,502 1.051,503 0.985,504 0.979,505 0.921,506 0.981,507 0.936,508 0.853,509 0.886,510 0.964,511 0.874,512 0.803,513 0.92,514 0.74,515 1.076,516 1.048,517 1.108,518 0.719,519 1.115,520 0.607,521 0.964,522 0.922,523 0.997,524 0.558,525 0.995,526 0.889,527 1.041,528 0.985,529 1.056,530 0.877,531 1.037,532 0.922,533 1.212,534 1.006,535 1.173,536 0.915,537 1.116,538 1.241,539 1.198,540 1.086,541 1.097,542 1.117,543 1.069,544 3,545 0.021,546 1.778,547 0.688,548 0.818,549 0.507,550 0.304,551 0.186,552 0.086,553 0.041,554 3870,555 10636,556 2.138,557 42.9,559 10,561 3,562 2,567 1.617,568 2.069,569 3.194,570 0.311,572 1,574 1,577 52.167,578 1.49,579 3.335,580 4.265,581 4.786,582 4.786,583 4.786,584 2.709,585 3.784,586 4.288,587 3.275,588 622.161,589 7.325,590 6313.91,591 1,592 1,594 1,595 179.525,596 1.076,597 4.283,598 0.136,599 0.004,600 0.061,601 0.024,602 0.034,603 0.023,604 0.016,605 0.012,606 0.007,607 0.005,608 0.323,609 0.67,610 1,611 1.08,612 88.671,613 -0.107,614 -0.069,615 0.022,616 0.039,617 -0.134,618 0.043,619 -0.124,620 0.095,621 -0.108,622 0.036,623 -0.135,624 -0.024,625 -0.027,626 0.123,627 -0.035,628 0.101,629 -0.045,630 0.044,631 -0.067,632 -0.103,633 -0.126,634 -0.119,635 -0.091,636 -0.128,637 0.113,638 -0.008,639 0.038,640 -0.01,641 0.117,642 0.004,643 -0.04,644 -0.095,645 -0.019,646 -0.07,647 -0.02,648 -0.045,649 -0.013,650 -0.271,651 -0.034,652 -0.193,653 0.015,654 -0.131,655 -0.098,656 -0.227,657 -0.059,658 -0.164,659 -0.03,660 -0.114,661 1.406,662 2.837,663 0.8,664 15.64,665 0.998,666 1.12,667 1.906,668 3.633,669 0.687,670 3.135,671 3.401,672 3.664,673 3.912,674 4.19,675 4.22,676 4.357,677 4.454,678 4.533,679 4.419,680 5.244,681 0.655,682 265.34,683 3.135,684 4.635,685 5.468,686 6.323,687 7.179,688 8.044,689 8.909,690 9.78,691 10.65,692 11.524,693 8.6,698 1,703 2,708 2,709 9,710 2,714 3,716 17,728 1,735 35,737 17,738 1,739 22,741 37,742 16,743 14,744 3,745 3,748 3,749 4,754 1,762 14,763 2,779 1,780 1,783 15,784 4,785 2,786 4,792 3,797 0.667,798 1,799 1,809 2,816 3,820 1,841 1,843 2,851 20,857 1,858 2,860 1,874 2.9,875 1,881 9.667,882 6.1,883 4.556,884 1.996,886 3.33,887 1.493,888 0.981,889 3.682,890 10.092,891 3.45,892 4.06,893 4.696,894 5.324,895 5.974,896 6.291,897 6.776,898 7.225,899 7.658,900 7.804,901 1,902 29,903 7.327,905 3.028,906 7.692,907 14.065,909 11.308,911 2.192,912 43.833,913 0.001,916 153.024,917 99.95,918 51.582,920 42.683,923 99.95,924 195.708,925 51.582,927 2.106,928 99.541,929 86.895,930 38.659,931 2.328,932 117.711,934 153.024,935 151.532,936 42.683,939 153.024,941 42.683,943 29.248,944 70.702,945 51.582,947 153.024,948 94.265,949 99.95,952 153.024,953 15.951,954 84,955 18.011,956 76.254,957 153.024,958 94.265,959 99.95,961 0.558,962 0.322,963 0.178,964 0.106,965 14,966 5,967 0.108,968 4,969 1,970 1.125,971 3.344,972 147.515,973 0.125,974 16,975 82.439,981 12.733,982 5.783,983 2.849,984 2.215,985 94.265,986 17.687,987 8.352,991 3.071,993 60.694,994 347.24,995 30.5,1007 34.934,1008 39.196,1009 0.291,1010 0.65,1011 0.831,1012 0.933,1013 0.933,1014 0.933,1015 4.627,1016 1,1017 5.407,1018 2.611,1019 4.078,1020 4.745,1021 0.278,1022 6.163,1023 4.023,1024 5.818,1025 0.744,1026 6.921,1027 2.136,1028 3.434,1029 4.407,1031 6.934,1032 3.397,1033 7.107,1034 0.289,1035 8.538,1036 1.744,1037 5.602,1038 6.993,1039 0.05,1040 10.034,1041 5.52,1042 8.437,1043 -0.332,1044 10.218,1045 0.489,1046 5.832,1047 7.539,1049 11.658,1050 5.776,1051 9.802,1052 -0.452,1053 11.939,1054 -0.755,1055 7.408,1056 9.535,1057 0.008,1058 14.227,1059 7.315,1060 11.193,1061 -0.817,1062 13.688,1063 -1.116,1064 8.069,1065 10.524,1067 16.197,1068 7.999,1069 12.602,1070 -1,1071 15.456,1072 -1.939,1073 9.374,1074 12.245,1075 0.001,1076 18.571,1077 9.279,1078 3.019,1079 -1,1080 17.237,1081 -2.152,1082 10.252,1083 13.468,1085 20.692,1086 10.172,1087 2.705,1088 9.637,1089 19.028,1090 -2.347,1091 11.434,1092 15.056,1094 22.989,1095 11.337,1096 2.277,1097 8.632,1098 20.826,1099 4.396,1100 12.42,1101 16.403,1103 25.178,1104 12.331,1105 1.813,1106 6.667,1107 22.63,1108 3.695,1109 13.546,1110 17.927,1112 27.445,1113 13.447,1114 1.578,1115 4.681,1116 24.438,1117 3.049,1118 14.585,1119 19.338,1121 29.666,1122 14.489,1123 1.417,1124 4.178,1125 26.25,1126 2.657,1127 15.69,1128 20.834,1130 31.922,1131 15.585,1132 1.163,1133 2.752,1134 28.065,1135 2.338,1136 16.756,1137 22.276,1139 34.159,1140 16.651,1141 3780,1142 6328,1143 15.197,1144 24.04,1145 31.95,1146 32.514,1147 32.393,1148 31.949,1149 32.009,1150 44.495,1151 0.8,1152 87.053,1153 30.998,1154 5.256,1155 5.031,1156 6.166,1157 5.053,1158 5.019,1159 7.396,1160 0.8,1161 16.092,1162 5.002,1163 5.858,1164 1.452,1165 1.478,1166 1.472,1167 1.452,1168 1.455,1169 2.022,1170 0.036,1171 3.957,1172 1.409,1173 4.098,1174 4.123,1175 4.059,1176 4.043,1177 6.456,1178 4.044,1179 3.824,1180 3.866,1181 3.768,1182 3.721,1183 5.004,1184 3.727,1185 3.583,1186 3.65,1187 3.462,1188 3.38,1189 4.873,1190 3.391,1191 3.325,1192 3.378,1193 3.216,1194 3.162,1195 4.439,1196 3.165,1197 3.037,1198 3.091,1199 2.932,1200 2.934,1201 4.019,1202 2.927,1203 2.854,1204 2.925,1205 2.691,1206 2.735,1207 3.798,1208 2.715,1209 2.815,1210 2.892,1211 2.687,1212 2.57,1213 3.718,1214 2.591,1215 2.643,1216 2.723,1217 2.511,1218 2.423,1219 3.674,1220 2.429,1221 0.203,1222 0.138,1223 0.287,1224 0.182,1225 0.137,1226 4.473,1227 0.2,1228 3.031,1229 0.018,1230 6.303,1231 0.438,1232 4.013,1233 0.136,1234 3.019,1235 4.396,1236 0.4,1237 9.637,1238 3.002,1239 2.069,1240 2.049,1241 2.14,1242 2.141,1243 1.277,1244 2.142,1245 1.796,1246 1.759,1247 1.905,1248 1.928,1249 1.013,1250 1.924,1251 1.531,1252 1.465,1253 1.775,1254 1.774,1255 0.929,1256 1.778,1257 1.29,1258 1.24,1259 1.47,1260 1.481,1261 0.519,1262 1.48,1263 1.04,1264 0.992,1265 1.246,1266 1.194,1267 0.309,1268 1.213,1269 0.886,1270 0.821,1271 1.181,1272 1.079,1273 0.218,1274 1.107,1275 0.737,1276 0.664,1277 1.07,1278 1.062,1279 0.138,1280 1.08,1281 0.596,1282 0.517,1283 0.882,1284 0.841,1286 0.851,1287 3.807,1289 5.081,1291 6.575,1293 8.169,1295 9.814,1302 8.837,1303 0.597,1305 3.075,1314 22.94,1315 52.167,1316 116.731,1317 149.26,1318 167.525,1319 167.525,1320 167.525,1321 22.269,1322 6.762,1323 58.04,1324 58.04,1325 18,1326 12.066,1327 4.17,1328 3.248,1329 29.989,1330 62,1331 72,1332 0.242,1333 143.028,1334 236.25,1335 340.748,1336 6932,1338 13.786,1339 0.689,1340 0.548,1341 13.786,1342 10.952,1343 9.865,1344 0.448,1345 0.296,1346 6.441,1347 9.561,1348 6.315,1349 5.241,1350 9.865,1351 6.516,1352 8.313,1353 0.287,1354 0.156,1355 8.313,1356 4.518,1357 7.045,1358 0.185,1359 0.083,1360 7.045,1361 3.153,1362 5.816,1363 0.119,1364 0.044,1365 5.816,1366 2.146,1367 5.014,1368 0.077,1369 0.023,1370 5.014,1371 1.496,1372 0.374,1373 61.302,1374 0.257,1375 19.969,1376 0.676,1377 102,1378 277.773,1379 108.324,1380 275.18,1381 380.87,1382 260,1383 118,1384 277.783,1385 123.881,1386 285.922,1387 413.44,1388 270,1389 5.1}
{0 CHEMBL1998470,1 1.68,2 9.136,3 3.056,4 9.341,5 86.409,6 8.508,7 0.667,8 3.721,9 3.84,10 3.398,11 3.3,12 4.876,13 3.284,14 4.216,15 4.378,16 3.777,17 3.67,18 5.385,19 3.63,20 4.428,21 4.636,22 3.758,23 3.742,24 5.516,25 3.679,26 4.369,27 4.565,28 3.787,29 3.697,30 5.555,31 3.637,32 4.355,33 4.549,34 3.689,35 3.652,36 5.503,37 3.576,38 4.282,39 4.493,40 3.797,41 3.563,42 5.504,43 3.495,44 4.155,45 4.354,46 3.497,47 3.43,48 5.331,49 3.33,50 4.011,51 4.223,52 3.249,53 3.249,54 5.166,55 3.135,56 0.048,57 0.561,58 6.033,59 2.968,60 5.916,61 3.727,62 0.21,63 0.87,64 12.325,65 5.147,66 20.527,67 6.765,68 0.268,69 0.99,70 18.879,71 6.471,72 36.225,73 8.36,74 0.284,75 0.922,76 17.063,77 6.084,78 35.141,79 7.911,80 0.29,81 0.881,82 18.846,83 5.986,84 37.802,85 7.373,86 0.343,87 0.809,88 19.231,89 5.712,90 37.65,91 7.406,92 0.31,93 0.691,94 18.603,95 5.065,96 32.734,97 6.304,98 0.225,99 0.566,100 15.867,101 4.805,102 27.521,103 6.135,104 14,105 33,106 0.301,107 0.695,108 0.852,109 0.89,110 0.89,111 0.89,112 3.147,113 0.931,114 -4.08,115 -4.03,116 -3.81,119 43.2,120 1,121 2,142 4,143 3,145 1,147 2,151 1,158 1,161 1,172 8,175 6,178 3,180 4,183 8,188 4,193 4,196 5,199 1,200 5,205 7,208 6,213 5,218 1,221 5,225 5,228 1,229 1,230 2,233 6,237 1,238 3,241 1,243 1,246 6,250 1,253 1,255 1,258 5,263 1,264 2,269 1,272 3,276 642,277 14.955,278 14.955,279 14.955,280 14.955,281 14.955,282 12.958,283 9.653,284 9.018,285 15.317,286 11.857,287 11.857,288 11.857,289 11.857,290 11.857,291 8.791,292 12.39,293 4.242,294 12.478,295 3.53,296 1.329,297 0.453,298 0.237,299 0.237,300 0.237,301 3.828,303 1,304 1,305 1,306 1,307 429,308 3,311 43.522,312 123.45,315 82.883,319 1.421,320 20.052,321 1,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 47.333,332 201,333 4.601,334 3.592,335 6.714,336 4.148,337 3.167,338 4.535,339 1.907,340 10.927,341 3.11,342 4.156,343 3.192,344 5.865,345 3.691,346 2.751,347 3.82,348 0.149,349 8.333,350 2.591,351 3.704,352 2.942,353 5.449,354 3.373,355 2.384,356 3.002,358 7.069,359 2.349,360 3.5,361 2.391,362 5.013,363 3.042,364 2.119,365 2.804,367 5.947,368 1.955,369 3.191,370 2.198,371 4.626,372 2.74,373 1.832,374 2.399,376 4.957,377 1.57,378 3.046,379 1.547,380 4.5,381 2.513,382 1.547,383 2.319,385 4.227,386 1.49,387 2.915,388 1.465,389 4.004,390 2.387,391 1.436,392 2.109,394 3.443,395 1.341,396 2.524,397 1.353,398 3.564,399 2.026,400 1.039,401 1.536,403 2.559,404 1.02,405 2.119,406 1.039,407 3.119,408 1.986,409 1,410 1.072,412 1.671,413 0.981,414 1.973,415 0.543,416 3.093,417 1.432,418 0.488,419 0.72,421 1.177,422 0.459,423 1.189,424 0.477,425 2.578,426 0.827,427 -0.137,428 -0.162,430 -0.331,431 -0.131,432 0.947,433 0.209,434 2.502,435 0.459,436 -0.404,437 -0.508,439 -0.95,440 -0.255,441 0.735,442 0.018,443 2.121,444 0.43,445 -0.579,446 -0.696,448 -1.072,449 -0.573,450 0.667,451 -0.586,452 2,453 0.236,454 -0.687,455 -0.905,457 -1.723,458 -0.655,459 0.625,460 -0.798,461 2,462 0.131,463 -0.842,464 -1.259,466 -2.078,467 -0.817,468 10.648,469 0.484,470 0.503,471 0.023,472 30.5,473 1.386,474 16,475 0.727,476 14.5,477 0.659,478 15.657,479 0.712,480 22.952,481 0.62,482 20.219,483 0.919,484 5.855,485 0.266,486 4.814,487 0.219,488 0.145,490 0.329,496 0.736,497 1.293,498 0.596,499 0.909,500 0.582,501 0.844,502 0.509,503 1.096,504 0.631,505 0.961,506 0.509,507 0.92,508 1.12,509 1.019,510 0.834,511 0.844,512 1.154,513 0.857,514 0.938,515 1.049,516 0.761,517 0.901,518 0.983,519 0.898,520 1.466,521 1.068,522 1.194,523 0.994,524 1.519,525 1.024,526 0.865,527 0.979,528 0.995,529 0.958,530 0.766,531 0.879,532 1.344,533 0.908,534 1.635,535 1.2,536 1.205,537 1.171,538 1.206,539 1.021,540 1.395,541 1.194,542 1.276,543 1.134,544 4.5,545 0.053,546 2,547 1.757,548 0.921,549 0.556,550 0.536,551 0.262,552 0.185,553 0.069,554 4701,555 14173,556 2.07,557 40.5,558 5,559 4,560 1,561 1,562 2,563 2,567 1.648,568 1.941,569 3.169,570 0.348,571 1,572 1,574 1,577 62.146,578 1.68,579 3.881,580 4.757,581 4.973,582 4.973,583 4.973,584 2.665,585 4.278,586 4.428,587 3.285,588 758.842,589 7.623,590 8232.54,591 1,592 1,593 1,594 1,595 192.75,596 1.395,597 4.392,598 0.188,599 0.008,600 0.061,601 0.055,602 0.03,603 0.021,604 0.02,605 0.013,606 0.012,607 0.007,608 0.412,609 0.33,610 1,611 1.405,612 100.444,613 -0.08,614 -0.134,615 0.011,616 -0.009,617 -0.058,618 0.02,619 0.235,620 -0.006,621 0.088,622 -0.039,623 0.13,624 -0.011,625 -0.158,626 -0.016,627 0.015,628 0.101,629 -0.141,630 0.092,631 0.04,632 -0.044,633 0.094,634 0.047,635 0.058,636 0.047,637 -0.29,638 -0.074,639 -0.153,640 -0.029,641 -0.258,642 -0.091,643 0.226,644 0.003,645 0.199,646 0.032,647 0.194,648 0.088,649 -0.125,650 0.076,651 -0.273,652 -0.191,653 -0.129,654 -0.22,655 -0.037,656 -0.131,657 -0.139,658 -0.152,659 -0.005,660 -0.123,661 1.733,662 4.724,663 0.682,664 16.76,665 1.01,666 1.125,667 2.848,668 8.11,669 0.7,670 3.219,671 3.526,672 3.784,673 4.094,674 4.263,675 4.369,676 4.466,677 4.595,678 4.511,679 4.543,680 5.348,681 0.67,682 314.8,683 3.219,684 4.745,685 5.587,686 6.469,687 7.334,688 8.226,689 9.101,690 9.998,691 10.879,692 11.778,693 10.8,700 1,701 1,703 2,708 2,709 6,710 2,711 1,714 4,716 16,734 1,735 37,737 17,739 24,741 39,742 16,743 12,748 3,749 4,750 1,754 1,760 2,762 13,763 3,767 1,772 1,776 1,779 1,780 1,783 15,784 4,785 2,786 6,787 1,792 4,797 0.667,798 1,809 2,811 1,815 1,816 2,819 1,829 1,843 2,847 1,848 1,851 22,858 2,860 1,873 1,874 2.7,877 1,881 11.333,882 6.96,883 4.917,884 2.35,886 3.283,887 1.475,888 1.003,889 4.298,890 10.192,891 3.526,892 4.155,893 4.77,894 5.436,895 5.96,896 6.335,897 6.776,898 7.241,899 7.416,900 7.791,901 1,902 32,903 8.086,905 3.398,906 7.808,907 15.296,909 12.304,911 2.308,912 50.778,916 153.024,917 90.658,918 68.367,919 39.149,920 25.145,923 90.658,924 217.318,925 68.367,926 8.825,927 23.08,928 46.952,929 76.907,930 34.777,931 56.319,932 129.482,934 153.024,935 159.025,936 25.145,937 39.149,939 153.024,940 25.145,943 59.453,944 66.001,945 33.571,946 39.149,947 153.024,948 93.512,949 129.807,952 153.024,953 25.833,954 64.825,955 34.796,956 97.865,957 153.024,958 93.512,959 129.807,961 0.569,962 0.326,963 0.19,964 0.097,965 16,966 7,967 0.103,968 4,969 1,970 1.133,971 3.415,972 171.778,973 0.133,974 15,975 98.107,981 14.855,982 6.365,983 3.251,984 1.803,985 76.727,986 11.061,987 8.425,988 3.125,991 2.645,993 34.796,994 376.343,995 33,1000 11.724,1004 -0.066,1007 37.36,1008 41.638,1009 0.322,1010 0.745,1011 0.913,1012 0.955,1013 0.955,1014 0.955,1015 4.736,1016 1.039,1017 5.565,1018 3.443,1019 4.205,1020 4.84,1021 1.953,1022 6.368,1023 4.114,1024 5.953,1025 1,1026 7.111,1027 2.559,1028 3.761,1029 4.677,1030 1.593,1031 7.235,1032 3.621,1033 7.264,1034 0.488,1035 8.757,1036 1.671,1037 5.778,1038 7.102,1039 2.904,1040 10.361,1041 5.624,1042 8.614,1043 -0.137,1044 10.464,1045 1.177,1046 6.155,1047 7.79,1048 3.032,1049 12.099,1050 5.98,1051 9.996,1052 -0.404,1053 12.212,1054 -0.331,1055 7.644,1056 9.684,1057 4.037,1058 14.738,1059 7.448,1060 11.403,1061 -0.579,1062 13.989,1063 -0.95,1064 8.42,1065 10.793,1066 4.409,1067 16.851,1068 8.214,1069 12.83,1070 -0.687,1071 15.789,1072 -1.072,1073 9.69,1074 12.459,1075 5.25,1076 19.324,1077 9.462,1078 3.167,1079 -0.842,1080 17.607,1081 -1.723,1082 10.659,1083 13.776,1084 5.75,1085 21.596,1086 10.422,1087 2.751,1088 10.927,1089 19.439,1090 -2.078,1091 11.841,1092 15.345,1093 6.501,1094 24.011,1095 11.585,1096 2.384,1097 8.333,1098 21.283,1099 4.535,1100 12.901,1101 16.761,1102 7.068,1103 26.35,1104 12.634,1105 2.119,1106 7.069,1107 23.137,1108 3.82,1109 14.052,1110 18.289,1111 7.771,1112 28.747,1113 13.768,1114 1.832,1115 5.947,1116 24.999,1117 3.002,1118 15.154,1119 19.751,1120 8.374,1121 31.114,1122 14.858,1123 1.547,1124 4.957,1125 26.867,1126 2.804,1127 16.295,1128 21.264,1129 9.051,1130 33.506,1131 15.984,1132 1.436,1133 4.227,1134 28.741,1135 2.399,1136 17.418,1137 22.749,1138 9.674,1139 35.886,1140 17.095,1141 4656,1142 8204,1143 16.008,1144 25.904,1145 35.96,1146 36.492,1147 36.892,1148 35.675,1149 35.524,1150 48.633,1151 4.112,1152 100.622,1153 33.733,1154 5.444,1155 5.592,1156 6.486,1157 5.193,1158 5.167,1159 7.535,1160 3.306,1161 18.109,1162 5.057,1163 10.157,1164 1.498,1165 1.521,1166 1.537,1167 1.486,1168 1.48,1169 2.026,1170 0.171,1171 4.193,1172 1.406,1173 4.129,1174 4.166,1175 4.117,1176 4.03,1177 7.429,1178 4.042,1179 3.841,1180 3.883,1181 3.921,1182 3.707,1183 5.1,1184 3.72,1185 3.66,1186 3.713,1187 3.587,1188 3.514,1189 4.986,1190 3.507,1191 3.369,1192 3.434,1193 3.359,1194 3.219,1195 4.405,1196 3.223,1197 3.247,1198 3.312,1199 3.229,1200 3.013,1201 4.311,1202 3.024,1203 2.889,1204 2.948,1205 3.039,1206 2.759,1207 4.09,1208 2.746,1209 2.856,1210 2.925,1211 2.772,1212 2.652,1213 3.939,1214 2.671,1215 2.641,1216 2.719,1217 2.556,1218 2.453,1219 3.725,1220 2.455,1221 0.192,1222 0.15,1223 0.28,1224 0.173,1225 0.132,1226 4.601,1227 0.189,1228 3.592,1229 0.079,1230 6.714,1231 0.455,1232 4.148,1233 0.13,1234 3.167,1235 4.535,1236 1.907,1237 10.927,1238 3.11,1239 1.929,1240 1.907,1241 1.994,1242 2.026,1243 1.179,1244 2.019,1245 1.785,1246 1.745,1247 1.936,1248 1.955,1249 1.125,1250 1.94,1251 1.66,1252 1.602,1253 1.853,1254 1.841,1255 0.905,1256 1.862,1257 1.393,1258 1.329,1259 1.546,1260 1.627,1261 0.571,1262 1.615,1263 1.18,1264 1.116,1265 1.445,1266 1.453,1267 0.514,1268 1.452,1269 0.998,1270 0.952,1271 1.176,1272 1.151,1273 0.282,1274 1.166,1275 0.847,1276 0.79,1277 1.098,1278 1.057,1279 0.182,1280 1.092,1281 0.605,1282 0.526,1283 0.896,1284 0.855,1286 0.879,1287 3.892,1289 5.198,1290 2.398,1291 6.698,1292 4.727,1293 8.293,1294 6.843,1295 9.94,1297 1.954,1298 6.09,1303 1.244,1305 2.774,1314 24.789,1315 62.146,1316 143.589,1317 175.995,1318 183.995,1319 183.995,1320 183.995,1321 32.355,1322 6.91,1323 70.67,1324 70.67,1325 17,1326 12.304,1327 4.17,1328 3.322,1329 34.379,1330 69,1331 82,1332 0.246,1333 158.155,1334 262.46,1335 377.658,1336 8305,1337 2.7,1338 15.527,1339 0.706,1340 0.582,1341 16.027,1342 12.815,1343 10.669,1344 0.445,1345 0.31,1346 7.02,1347 10.043,1348 6.825,1349 5.697,1350 10.958,1351 7.448,1352 9.518,1353 0.288,1354 0.162,1355 9.926,1356 5.351,1357 7.588,1358 0.176,1359 0.081,1360 7.824,1361 3.494,1362 6.889,1363 0.117,1364 0.043,1365 7.207,1366 2.552,1367 5.042,1368 0.072,1369 0.022,1370 5.274,1371 1.54,1372 0.378,1373 69.492,1374 0.25,1375 21.509,1376 0.699,1377 114,1378 343.895,1379 140.044,1380 367.278,1381 494.32,1382 342,1383 133,1384 345.006,1385 151.913,1386 359.381,1387 525.31,1388 339,1389 5.5}
{0 CHEMBL1998545,1 1.432,2 11.56,3 2.8,4 7.839,5 97.844,6 7.387,7 0.667,8 3.883,9 3.995,10 3.436,11 3.487,12 5.035,13 3.453,14 4.363,15 4.513,16 3.726,17 3.85,18 5.469,19 3.786,20 4.646,21 4.854,22 3.769,23 3.971,24 5.685,25 3.875,26 4.695,27 4.918,28 3.688,29 3.91,30 5.755,31 3.805,32 4.656,33 4.879,34 3.666,35 3.85,36 5.83,37 3.752,38 4.586,39 4.821,40 3.567,41 3.769,42 5.668,43 3.663,44 4.49,45 4.727,46 3.455,47 3.62,48 5.64,49 3.527,50 4.271,51 4.49,52 3.296,53 3.468,54 5.431,55 3.384,56 0.037,57 0.595,58 8.865,59 4.131,60 10.346,61 5.287,62 0.137,63 0.951,64 15.366,65 6.681,66 23.206,67 8.778,68 0.206,69 1.218,70 22.35,71 9.01,72 35.916,73 12.212,74 0.218,75 1.224,76 24.575,77 9.528,78 48.119,79 12.69,80 0.335,81 1.172,82 23.936,83 8.947,84 71.621,85 11.913,86 0.176,87 1.097,88 22.252,89 8.508,90 41.169,91 11.485,92 0.22,93 0.963,94 20.831,95 7.614,96 48.863,97 10.03,98 0.2,99 0.779,100 16.405,101 6.042,102 42.294,103 7.807,104 6,105 35,106 0.246,107 0.543,108 0.695,109 0.809,110 0.835,111 0.835,112 3.266,113 0.914,114 -3.74,115 -3.71,116 -3.53,119 46.7,121 1,125 1,127 1,142 11,143 4,145 2,158 1,172 16,175 3,178 1,180 2,183 19,188 3,192 1,193 4,196 14,200 4,205 5,208 7,213 4,216 1,218 6,221 5,225 5,230 6,233 6,238 5,243 5,246 9,250 1,255 1,258 11,263 1,267 1,269 1,272 11,276 947,277 17.284,278 17.284,279 17.284,280 17.284,281 17.284,282 15.029,283 8.636,284 10.569,285 17.411,286 13.293,287 13.293,288 13.293,289 13.293,290 13.293,291 10.035,292 8.45,293 4.977,294 13.483,295 4.059,296 2.323,297 1.44,298 0.772,299 0.622,300 0.622,301 3.952,304 1,305 1,306 1,307 618,308 3.317,312 283.037,319 1.898,320 20.744,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 53,332 289,333 4.285,334 3.574,335 6.169,336 3.922,337 2.922,338 3.926,339 1.058,340 9.123,341 2.919,342 4.052,343 2.857,344 6.016,345 3.746,346 2.754,347 3.516,349 8.607,350 2.731,351 3.919,352 2.826,353 5.547,354 3.576,355 2.575,356 3.451,358 7.543,359 2.575,360 3.448,361 2.321,362 5.025,363 3.152,364 2.178,365 2.791,367 6.017,368 2.117,369 3.268,370 2.115,371 4.516,372 2.852,373 1.872,374 2.408,376 4.671,377 1.833,378 2.899,379 1.714,380 4.013,381 2.444,382 1.451,383 2.04,385 3.36,386 1.438,387 2.782,388 1.528,389 3.578,390 2.334,391 1.347,392 1.854,394 2.978,395 1.32,396 2.518,397 1.13,398 3.482,399 2.001,400 1.023,401 1.5,403 2.552,404 1,405 2.5,406 1.09,407 3.414,408 2,409 1,410 1.5,412 2.275,413 1,414 2.5,415 1,416 3.247,417 2,418 1,419 1.5,421 2.136,422 0.995,423 2.5,424 1,425 3.247,426 1.984,427 1,428 1.477,430 2.136,431 0.983,432 1.458,433 1,434 2.768,435 1.281,436 0.388,437 0.407,439 0.569,440 0.341,441 1.127,442 0.396,443 2.69,444 0.867,445 -0.116,446 -0.135,448 -0.292,449 -0.113,450 1.044,451 -0.106,452 2.321,453 0.615,454 -0.392,455 -0.523,457 -0.89,458 -0.391,459 0.624,460 -0.351,461 2,462 0.248,463 -0.749,464 -0.935,466 -1.66,467 -0.74,468 11.967,469 0.479,470 0.414,471 0.017,472 34.5,473 1.38,474 19.5,475 0.78,476 15,477 0.6,478 16.784,479 0.671,480 25.833,481 0.574,482 24.579,483 0.983,484 7.131,485 0.285,486 5.127,487 0.205,488 0.056,490 0.251,496 0.808,497 1.07,498 0.818,499 0.939,500 0.741,501 0.888,502 0.798,503 1.106,504 1.001,505 1.054,506 0.76,507 1.052,508 0.826,509 1.018,510 1.004,511 1.034,512 0.801,513 1.036,514 1.195,515 1.059,516 1.048,517 1.052,518 1.272,519 1.039,520 1.204,521 1.009,522 1.034,523 0.99,524 1.317,525 0.992,526 1.101,527 1.054,528 0.983,529 1.054,530 1.038,531 1.011,532 1.481,533 0.927,534 0.976,535 0.925,536 1.477,537 0.897,538 1.631,539 0.904,540 1.051,541 0.882,542 1.773,543 0.898,544 4,545 0.087,546 2.222,547 1.25,548 0.804,549 0.632,550 0.525,551 0.29,552 0.144,553 0.104,554 7813,555 20445,556 2.085,557 44.4,559 14,561 2,562 2,564 2,567 1.676,568 2,569 3.511,570 0.194,571 1,572 1,577 64.456,578 1.432,579 3.169,580 4.052,581 4.72,582 4.87,583 4.87,584 2.953,585 4.054,586 4.615,587 3.66,588 1097.95,589 7.96,590 13818.6,592 1,594 1,595 247.133,596 1.164,597 4.597,598 0.148,599 0.006,600 0.063,601 0.036,602 0.026,603 0.021,604 0.019,605 0.012,606 0.007,607 0.006,608 0.344,609 0.33,610 1,611 0.663,612 122.832,613 -0.072,614 0.011,615 0.015,616 0.057,617 -0.087,618 0.048,619 -0.006,620 -0.045,621 -0.125,622 -0.073,623 -0.054,624 -0.11,625 0.01,626 -0.009,627 -0.062,628 -0.057,629 -0.007,630 -0.065,631 -0.089,632 -0.103,633 -0.055,634 -0.074,635 -0.099,636 -0.063,637 0.038,638 -0.045,639 -0.023,640 -0.022,641 0.047,642 -0.028,643 -0.03,644 -0.097,645 0.02,646 -0.08,647 0.023,648 -0.03,649 -0.096,650 0.007,651 0.07,652 0.045,653 -0.017,654 0.074,655 -0.188,656 0.046,657 -0.02,658 0.089,659 -0.159,660 0.059,661 1.851,662 5.42,663 0.72,664 24.986,665 0.996,666 1.114,667 2.514,668 6.321,669 0.684,670 3.332,671 3.584,672 3.807,673 3.989,674 4.174,675 4.111,676 4.205,677 4.205,678 4.234,679 4.234,680 6.757,681 0.649,682 332.43,683 3.332,684 4.828,685 5.645,686 6.482,687 7.313,688 8.154,689 8.99,690 9.833,691 10.671,692 11.517,693 4.4,700 1,703 1,709 13,710 1,714 4,716 18,723 1,735 45,737 19,738 2,739 27,741 47,742 21,743 17,744 3,745 9,746 1,748 3,749 3,754 1,760 2,762 18,763 3,767 1,772 1,776 1,779 1,780 1,783 20,784 4,785 2,786 4,792 2,797 1,798 2,799 1,809 1,816 3,841 1,843 3,851 25,857 1,858 2,860 1,863 1,874 4.4,875 1,877 1,881 12.5,882 7.733,883 5.722,884 2.56,886 2.944,887 1.431,888 0.956,889 5.682,890 9.778,891 3.638,892 4.167,893 4.698,894 5.205,895 5.718,896 5.76,897 6.166,898 6.383,899 6.646,900 6.888,901 0.875,902 35,903 9.232,905 3.85,906 7.787,907 17.56,909 14.109,911 2.287,912 57.167,915 1,916 211.88,917 142.315,918 34.796,920 67.828,923 142.315,924 279.708,925 34.796,927 20.545,928 146.922,929 70.177,930 30.837,932 188.338,934 211.88,935 177.111,936 67.828,939 188.338,940 48.687,941 42.683,943 38.64,944 121.686,945 16.786,947 211.88,948 102.625,949 142.315,952 211.88,953 19.981,954 122.334,955 18.011,956 84.614,957 211.88,958 102.625,959 142.315,961 0.561,962 0.326,963 0.173,964 0.094,965 15,966 6,967 0.128,968 6,970 1,971 3.845,972 192.419,974 18,975 104.096,981 17.032,982 8.339,983 4.602,985 102.625,986 24.559,987 4.005,991 3.736,993 60.694,994 456.819,995 37,1000 12.42,1004 -0.184,1007 44.811,1008 50.152,1009 0.261,1010 0.577,1011 0.738,1012 0.859,1013 0.887,1014 0.887,1015 4.816,1016 1.023,1017 5.58,1018 2.978,1019 4.263,1020 4.852,1021 1.176,1022 6.301,1023 4.24,1024 5.981,1025 1,1026 7.079,1027 2.552,1028 3.611,1029 4.29,1031 7.018,1032 3.608,1033 7.241,1034 1,1035 8.679,1036 2.275,1037 5.765,1038 6.937,1039 1.255,1040 10.076,1041 5.729,1042 8.537,1043 1,1044 10.34,1045 2.136,1046 5.969,1047 7.203,1049 11.637,1050 5.954,1051 9.863,1052 0.388,1053 12.04,1054 2.136,1055 7.531,1056 9.281,1057 1.338,1058 14.159,1059 7.491,1060 11.211,1061 -0.116,1062 13.767,1063 0.569,1064 8.145,1065 9.968,1067 16.062,1068 8.122,1069 12.577,1070 -0.392,1071 15.512,1072 -0.292,1073 9.436,1074 11.753,1075 1.422,1076 18.385,1077 9.394,1078 2.922,1079 -0.749,1080 17.271,1081 -0.89,1082 10.259,1083 12.685,1085 20.44,1086 10.23,1087 2.754,1088 9.123,1089 19.039,1090 -1.66,1091 11.42,1092 14.3,1093 1.51,1094 22.682,1095 11.378,1096 2.575,1097 8.607,1098 20.814,1099 3.926,1100 12.351,1101 15.384,1103 24.807,1104 12.317,1105 2.178,1106 7.543,1107 22.595,1108 3.516,1109 13.45,1110 16.895,1111 1.599,1112 27.017,1113 13.409,1114 1.872,1115 6.017,1116 24.38,1117 3.451,1118 14.438,1119 18.076,1121 29.175,1122 14.401,1123 1.451,1124 4.671,1125 26.168,1126 2.791,1127 15.509,1128 19.524,1129 1.69,1130 31.373,1131 15.467,1132 1.347,1133 3.36,1134 27.96,1135 2.408,1136 16.527,1137 20.767,1139 33.548,1140 16.486,1141 7512,1142 12241,1143 18.375,1144 30.773,1145 39.37,1146 40.537,1147 40.018,1148 38.938,1149 39.018,1150 52.739,1151 2.117,1152 103.931,1153 38.501,1154 5.183,1155 5.574,1156 5.971,1157 4.957,1158 4.922,1159 6.926,1160 2.117,1161 15.407,1162 4.919,1163 8.827,1164 1.458,1165 1.501,1166 1.482,1167 1.442,1168 1.445,1169 1.953,1170 0.078,1171 3.849,1172 1.426,1173 4.012,1174 4.04,1175 3.959,1176 3.949,1177 7.429,1178 3.947,1179 3.919,1180 3.951,1181 3.844,1182 3.86,1183 6.456,1184 3.852,1185 3.755,1186 3.794,1187 3.696,1188 3.642,1189 4.928,1190 3.649,1191 3.588,1192 3.642,1193 3.475,1194 3.422,1195 4.751,1196 3.426,1197 3.197,1198 3.221,1199 3.127,1200 2.995,1201 4.646,1202 3.021,1203 3.019,1204 3.082,1205 2.845,1206 2.819,1207 4.089,1208 2.815,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.795,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.674,1220 2.715,1221 0.159,1222 0.132,1223 0.228,1224 0.145,1225 0.108,1226 4.285,1227 0.145,1228 3.574,1229 0.039,1230 6.169,1231 0.338,1232 3.922,1233 0.108,1234 2.922,1235 3.926,1236 1.058,1237 9.123,1238 2.919,1239 1.978,1240 1.956,1241 2.073,1242 2.061,1243 1.272,1244 2.066,1245 1.923,1246 1.893,1247 2.052,1248 2.011,1249 1.166,1250 2.026,1251 1.723,1252 1.688,1253 1.847,1254 1.867,1255 0.964,1256 1.862,1257 1.557,1258 1.503,1259 1.769,1260 1.751,1261 0.857,1262 1.759,1263 1.093,1264 1.067,1265 1.32,1266 1.359,1267 0.48,1268 1.318,1269 0.993,1270 0.931,1271 1.228,1272 1.255,1273 0.243,1274 1.276,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.007,1289 5.273,1291 6.742,1293 8.291,1295 9.878,1302 9.555,1303 0.494,1305 2.892,1308 -0.31,1314 29.214,1315 64.456,1316 142.609,1317 182.325,1318 212.379,1319 219.133,1320 219.133,1321 43.981,1322 6.834,1323 62.22,1324 62.22,1325 18,1326 12.08,1327 4.322,1328 3.459,1329 41.964,1330 101,1331 92,1332 0.199,1333 182.337,1334 315.26,1335 436.661,1336 8255,1338 17.485,1339 0.699,1340 0.552,1341 17.485,1342 13.8,1343 12.258,1344 0.454,1345 0.305,1346 8.151,1347 11.968,1348 7.972,1349 6.637,1350 12.258,1351 8.222,1352 10.3,1353 0.294,1354 0.167,1355 10.3,1356 5.856,1357 8.612,1358 0.196,1359 0.092,1360 8.612,1361 4.041,1362 6.833,1363 0.129,1364 0.051,1365 6.833,1366 2.687,1367 5.441,1368 0.085,1369 0.028,1370 5.441,1371 1.767,1372 0.319,1373 75.743,1374 0.233,1375 24.79,1376 0.528,1377 124,1378 341.863,1379 131.095,1380 337.25,1381 455.5,1382 316,1383 141,1384 321.236,1385 147.708,1386 331.109,1387 475.36,1388 312,1389 5.1}
{0 CHEMBL1998551,1 1.746,2 9.345,3 3.55,4 12.6,5 104.045,6 8.435,7 0.636,8 4.003,9 4.12,10 3.674,11 3.519,12 5.202,13 3.538,14 4.547,15 4.709,16 4.126,17 3.934,18 5.761,19 3.956,20 4.802,21 4.995,22 4.163,23 4.017,24 6.067,25 4.022,26 4.817,27 5.049,28 4.166,29 3.985,30 6.166,31 3.993,32 4.673,33 4.858,34 4.075,35 3.996,36 5.856,37 3.99,38 4.724,39 4.899,40 4.102,41 4.053,42 5.948,43 4.024,44 4.856,45 5.082,46 4.033,47 4.021,48 6.017,49 3.969,50 4.752,51 4.998,52 3.909,53 3.854,54 5.932,55 3.817,56 0.168,57 0.914,58 7.637,59 4.068,60 16.768,61 4.669,62 0.331,63 1.486,64 15.764,65 6.801,66 27.206,67 8.384,68 0.762,69 1.757,70 23.84,71 8.182,72 77.789,73 9.797,74 0.986,75 1.832,76 26.673,77 7.401,78 109.904,79 9.854,80 0.535,81 1.609,82 18.649,83 6.686,84 43.936,85 8.199,86 0.511,87 1.72,88 19.216,89 8.368,90 45.045,91 10.273,92 0.801,93 1.807,94 27.404,95 9.922,96 73.5,97 12.626,98 0.705,99 1.556,100 26.302,101 8.519,102 77.77,103 11.177,104 27,105 51,106 0.294,107 0.655,108 0.802,109 0.851,110 0.851,111 0.851,112 3.41,113 0.848,114 -5.96,115 -5.81,116 -5.41,119 42.6,120 2,121 2,125 1,130 1,142 5,143 1,144 2,146 2,152 1,161 3,166 2,172 4,174 3,175 7,180 2,183 4,187 3,188 12,191 2,196 1,199 2,200 11,203 2,208 2,212 1,213 7,218 1,221 8,224 2,225 5,230 1,233 10,237 2,238 6,241 1,246 4,250 8,253 1,255 1,258 2,264 4,269 3,272 6,276 1323,277 19.212,278 19.212,279 19.212,280 19.212,281 19.212,282 16.795,283 16.133,284 10.78,285 19.685,286 16.303,287 16.303,288 16.303,289 16.303,290 16.303,291 12.501,292 16.328,293 5.114,294 17.176,295 3.809,296 1.665,297 0.79,298 0.5,299 0.5,300 0.5,301 4.112,305 1,306 1,307 598,308 3.391,311 177.822,312 137.537,314 97.682,315 99.363,319 1.415,320 43.462,323 0.75,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.84,331 65,332 271,333 4.74,334 3.753,335 7.292,336 4.379,337 3.431,338 4.593,339 0.765,340 12.488,341 3.246,342 4.636,343 3.431,344 7.048,345 4.281,346 3.329,347 4.388,349 12.137,350 3.169,351 4.201,352 3.141,353 6.293,354 3.797,355 2.841,356 3.825,358 9.374,359 2.708,360 4.053,361 2.857,362 6.176,363 3.696,364 2.753,365 3.351,367 9.037,368 2.589,369 3.667,370 2.707,371 5.737,372 3.307,373 2.352,374 3.02,376 7.628,377 2.24,378 3.538,379 2.454,380 5.212,381 3.12,382 2.181,383 2.886,385 6.323,386 2.033,387 3.063,388 2.079,389 4.772,390 2.636,391 1.711,392 2.255,394 4.875,395 1.567,396 3.029,397 1.672,398 4.748,399 2.548,400 1.594,401 2.237,403 4.807,404 1.515,405 2.822,406 1.623,407 4.601,408 2.395,409 1.455,410 1.941,412 4.406,413 1.363,414 2.677,415 1.39,416 4.067,417 2.255,418 1.285,419 1.747,421 3.3,422 1.239,423 2.568,424 1.159,425 4.008,426 2.077,427 1.12,428 1.598,430 3.032,431 1.069,432 2.13,433 0.987,434 3.448,435 1.93,436 0.958,437 1.093,439 2.258,440 0.928,441 2.021,442 0.676,443 3.347,444 1.558,445 0.598,446 0.828,448 1.518,449 0.572,450 1.442,451 0.409,452 3.209,453 1.182,454 0.229,455 0.273,457 0.644,458 0.217,459 1.252,460 0.297,461 2.744,462 0.868,463 -0.047,464 -0.059,466 -0.116,467 -0.042,468 13.305,469 0.459,470 1.018,471 0.035,472 37.75,473 1.302,474 18,475 0.621,476 19.75,477 0.681,478 25.98,479 0.896,480 31.095,481 0.662,482 29.895,483 1.031,484 7.198,485 0.248,486 6.628,487 0.229,488 0.143,489 0.038,490 0.398,494 2,496 0.627,497 1.058,498 0.64,499 1.035,500 0.615,501 0.897,502 0.656,503 1.1,504 0.591,505 1.021,506 0.545,507 0.841,508 1.095,509 1.083,510 0.997,511 0.972,512 1.053,513 0.962,514 0.86,515 0.776,516 0.847,517 0.65,518 0.668,519 0.69,520 0.883,521 0.933,522 1.048,523 0.959,524 0.726,525 1.003,526 0.701,527 1.028,528 0.994,529 1.237,530 0.66,531 1.221,532 0.902,533 1.023,534 1.024,535 1.11,536 1.006,537 1.117,538 0.96,539 0.993,540 0.924,541 0.972,542 0.928,543 0.94,544 7,545 0.112,546 4.222,547 2.792,548 2.172,549 1.261,550 0.77,551 0.802,552 0.56,553 0.319,554 9822,555 30399,556 2.12,557 38.3,559 7,562 1,563 2,564 8,567 1.727,568 1.944,569 3.195,570 -0.268,572 1,577 82.059,578 1.746,579 3.89,580 4.765,581 5.054,582 5.054,583 5.054,584 2.672,585 4.625,586 4.831,587 3.352,588 1360.84,589 8.455,590 17485.1,592 1,594 1,595 261.066,596 1.662,597 4.767,598 0.212,599 0.008,600 0.083,601 0.056,602 0.043,603 0.027,604 0.016,605 0.019,606 0.015,607 0.012,608 0.492,609 0.33,610 0.75,611 0.772,612 143.307,613 -0.006,614 -0.068,615 0.047,616 -0.026,617 -0.063,618 0.006,619 0.029,620 -0.162,621 0.208,622 -0.039,623 0.066,624 0.094,625 -0.108,626 -0.117,627 -0.075,628 -0.029,629 -0.103,630 -0.047,631 0.067,632 0.172,633 0.128,634 0.244,635 0.159,636 0.23,637 -0.147,638 0.03,639 -0.227,640 -0.038,641 -0.103,642 -0.115,643 0.027,644 -0.069,645 -0.17,646 -0.245,647 0.013,648 -0.271,649 0.032,650 -0.039,651 -0.04,652 -0.105,653 -0.065,654 -0.106,655 -0.013,656 -0.075,657 0.109,658 0.008,659 0.014,660 0.082,661 2.49,662 6.551,663 0.793,664 23.237,665 1.024,666 1.144,667 4.727,668 22.348,669 0.674,670 3.526,671 3.951,672 4.277,673 4.635,674 4.868,675 5.088,676 5.273,677 5.468,678 5.62,679 5.72,680 5.754,681 0.666,682 396.44,683 3.526,684 5.13,685 6.023,686 6.959,687 7.874,688 8.813,689 9.735,690 10.676,691 11.603,692 12.544,693 12.8,701 2,703 4,708 1,709 5,710 4,714 8,715 1,716 21,734 2,735 47,737 21,738 1,739 33,741 51,742 20,743 14,744 3,745 3,748 5,749 7,754 2,757 2,760 2,762 14,763 6,764 1,780 1,781 2,783 18,784 7,785 1,786 9,789 1,792 6,797 0.6,798 1,801 1,808 1,815 3,816 2,818 1,819 1,841 1,843 3,847 2,849 2,851 29,857 1,858 3,865 1,871 1,873 2,874 2.1,875 1,881 14.917,882 9.352,883 5.972,884 2.911,886 4.136,887 1.501,888 0.991,889 3.973,890 12.398,891 3.795,892 4.511,893 5.189,894 5.874,895 6.419,896 6.897,897 7.391,898 7.907,899 8.321,900 8.721,901 1,902 50,903 10.827,905 4.962,906 8.009,907 20.104,909 17.269,911 2.509,912 72.75,915 1,916 200.109,917 108.275,918 69.838,920 42.683,921 29.92,923 108.275,924 242.792,925 99.758,926 17.65,927 7.175,928 90.065,929 73.146,930 30.004,931 32.677,932 200.109,934 200.109,935 178.113,936 72.604,939 135.86,940 94.169,941 42.683,943 39.773,944 71.566,945 66.775,947 230.029,948 112.521,949 108.275,952 200.109,953 43.244,954 68.095,956 139.378,957 200.109,958 142.441,959 108.275,961 0.609,962 0.355,963 0.199,964 0.106,965 29,966 13,967 0.059,968 3,969 2,970 1.174,971 3.865,972 285.824,973 0.174,974 23,975 138.881,981 18.201,982 6.33,983 2.904,984 0.488,985 139.378,986 6.976,987 17.36,991 1.655,992 2.014,993 42.683,994 450.825,995 43.5,1007 48.149,1008 53.785,1009 0.314,1010 0.7,1011 0.858,1012 0.91,1013 0.91,1014 0.91,1015 5.089,1016 1.594,1017 6.08,1018 4.875,1019 4.635,1020 5.198,1021 0.775,1022 7.008,1023 4.53,1024 6.361,1025 1.455,1026 7.716,1027 4.807,1028 4.511,1029 5.231,1031 8.235,1032 4.328,1033 7.725,1034 1.285,1035 9.459,1036 4.406,1037 6.382,1038 7.528,1039 0.521,1040 11.336,1041 6.175,1042 9.126,1043 1.12,1044 11.264,1045 3.3,1046 7.048,1047 8.364,1049 13.357,1050 6.767,1051 10.559,1052 0.958,1053 13.11,1054 3.032,1055 8.463,1056 10.172,1057 0.336,1058 16.042,1059 8.151,1060 12.014,1061 0.598,1062 14.982,1063 2.258,1064 9.449,1065 11.367,1067 18.361,1068 9.069,1069 13.486,1070 0.229,1071 16.875,1072 1.518,1073 10.716,1074 12.988,1075 0.21,1076 20.921,1077 10.297,1078 3.431,1079 -0.047,1080 18.782,1081 0.644,1082 11.833,1083 14.349,1085 23.355,1086 11.352,1087 3.329,1088 12.488,1089 20.702,1090 -0.116,1091 13.054,1092 15.895,1093 0.128,1094 25.878,1095 12.527,1096 2.841,1097 12.137,1098 22.63,1099 4.593,1100 14.224,1101 17.332,1103 28.357,1104 13.64,1105 2.753,1106 9.374,1107 24.566,1108 4.388,1109 15.434,1110 18.85,1111 0.077,1112 30.87,1113 14.8,1114 2.352,1115 9.037,1116 26.508,1117 3.825,1118 16.629,1119 20.323,1121 33.368,1122 15.939,1123 2.181,1124 7.628,1125 28.456,1126 3.351,1127 17.838,1128 21.832,1129 0.046,1130 35.879,1131 17.097,1132 1.711,1133 6.323,1134 30.407,1135 3.02,1136 19.044,1137 23.322,1139 38.385,1140 18.248,1141 9239,1142 16418,1143 21.789,1144 31.694,1145 52.268,1146 52.27,1147 53.375,1148 51.847,1149 51.673,1150 68.069,1151 1.529,1152 163.654,1153 48.91,1154 5.585,1155 5.753,1156 6.781,1157 5.439,1158 5.431,1159 7.593,1160 1.529,1161 20.244,1162 5.246,1163 15.535,1164 1.584,1165 1.584,1166 1.617,1167 1.571,1168 1.566,1169 2.063,1170 0.046,1171 4.959,1172 1.482,1173 4.16,1174 4.212,1175 4.139,1176 4.002,1177 8.211,1178 4.027,1179 4.004,1180 4.058,1181 3.979,1182 3.828,1183 8.191,1184 3.858,1185 3.843,1186 3.878,1187 3.796,1188 3.716,1189 6.45,1190 3.729,1191 3.596,1192 3.646,1193 3.478,1194 3.458,1195 5.198,1196 3.454,1197 3.332,1198 3.393,1199 3.226,1200 3.187,1201 4.893,1202 3.189,1203 3.109,1204 3.178,1205 3.033,1206 2.908,1207 4.464,1208 2.93,1209 2.903,1210 3.009,1211 2.85,1212 2.733,1213 4.415,1214 2.735,1215 2.874,1216 2.959,1217 2.735,1218 2.637,1219 4.01,1220 2.655,1221 0.144,1222 0.114,1223 0.221,1224 0.133,1225 0.104,1226 4.74,1227 0.139,1228 3.753,1229 0.023,1230 7.292,1231 0.378,1232 4.379,1233 0.098,1234 3.431,1235 4.593,1236 0.765,1237 12.488,1238 3.246,1239 1.924,1240 1.898,1241 1.989,1242 2.079,1243 1.191,1244 2.047,1245 1.839,1246 1.802,1247 1.929,1248 1.974,1249 1.106,1250 1.962,1251 1.641,1252 1.594,1253 1.847,1254 1.834,1255 1.061,1256 1.837,1257 1.562,1258 1.497,1259 1.818,1260 1.746,1261 0.954,1262 1.772,1263 1.456,1264 1.394,1265 1.591,1266 1.685,1267 0.818,1268 1.662,1269 1.216,1270 1.175,1271 1.417,1272 1.384,1273 0.469,1274 1.354,1275 0.989,1276 0.895,1277 1.289,1278 1.321,1279 0.441,1280 1.308,1281 0.934,1282 0.805,1283 1.125,1284 1.239,1285 0.178,1286 1.277,1287 4.205,1289 5.602,1290 3.434,1291 7.177,1292 5.82,1293 8.839,1294 7.947,1295 10.549,1297 3.21,1299 27.976,1302 10.381,1303 2.45,1310 -1.24,1314 31.297,1315 82.059,1316 182.827,1317 223.946,1318 237.556,1319 237.556,1320 237.556,1321 60.785,1322 8.262,1323 81.13,1324 81.13,1325 27,1326 13.041,1327 4.459,1328 3.524,1329 39.288,1330 97,1331 108,1332 0.196,1333 186.462,1334 312.33,1335 446.728,1336 44636,1337 4.3,1338 20.336,1339 0.701,1340 0.548,1341 18.596,1342 15.894,1343 13.826,1344 0.419,1345 0.283,1346 9.162,1347 13.106,1348 8.953,1349 7.35,1350 13.021,1351 9.333,1352 13.938,1353 0.273,1354 0.151,1355 12.777,1356 7.676,1357 11.44,1358 0.161,1359 0.071,1360 10.648,1361 5.068,1362 10.359,1363 0.102,1364 0.037,1365 9.643,1366 3.752,1367 8.049,1368 0.062,1369 0.019,1370 7.681,1371 2.433,1372 0.296,1373 87.985,1374 0.214,1375 26.668,1376 0.575,1377 168,1378 598.243,1379 191.641,1380 528.478,1381 722.15,1382 492,1383 206,1384 552.367,1385 231.353,1386 540.659,1387 803.67,1388 510,1389 5.1}
{0 CHEMBL1998585,1 1.956,2 12.806,3 4.124,4 17.008,5 110.765,6 10.169,7 0.647,8 3.943,9 4.042,10 3.776,11 3.527,12 5.283,13 3.546,14 4.432,15 4.545,16 4.24,17 3.904,18 6.223,19 3.916,20 4.605,21 4.751,22 4.22,23 3.988,24 6.047,25 3.99,26 4.709,27 4.886,28 4.214,29 3.953,30 6.162,31 3.949,32 4.651,33 4.836,34 4.079,35 3.834,36 6.192,37 3.814,38 4.51,39 4.703,40 3.936,41 3.648,42 6.247,43 3.659,44 4.334,45 4.517,46 3.813,47 3.537,48 6.082,49 3.537,50 4.259,51 4.46,52 3.626,53 3.497,54 5.619,55 3.466,56 0.296,57 1.006,58 3.975,59 3.731,60 45.592,61 3.063,62 0.959,63 1.908,64 9.837,65 6.585,66 150.057,67 5.724,68 0.766,69 1.78,70 11.47,71 7.65,72 92.289,73 6.918,74 1.085,75 1.876,76 19.599,77 9.179,78 160.282,79 8.203,80 1.129,81 1.615,82 22.751,83 8.781,84 155.182,85 8.208,86 1.306,87 1.707,88 19.205,89 7.251,90 220.73,91 6.396,92 0.93,93 1.153,94 12.269,95 5.379,96 137.912,97 5.717,98 0.691,99 1.129,100 14.424,101 6.476,102 102.563,103 6.765,104 38,105 50,106 0.332,107 0.662,108 0.795,109 0.863,110 0.871,111 0.871,112 3.471,113 0.85,114 -5.16,115 -5.06,116 -4.73,119 45.5,132 1,142 7,143 4,144 3,147 1,148 1,151 1,159 1,161 1,163 1,164 1,165 1,172 9,174 1,175 3,177 1,178 3,179 1,180 4,183 11,185 1,188 2,193 5,196 8,198 1,200 6,202 1,203 1,205 7,208 4,210 2,213 8,218 7,221 2,223 2,225 6,230 5,233 2,235 2,238 1,243 2,246 6,250 1,253 2,254 1,255 1,257 1,258 7,264 1,269 1,272 5,276 1553,277 20.281,278 20.281,279 20.281,280 20.281,281 20.281,282 17.526,283 19.296,284 11.59,285 21.01,286 16.767,287 16.767,288 16.767,289 16.767,290 16.767,291 12.612,292 24.778,293 5.49,294 18.045,295 3.503,296 1.567,297 0.782,298 0.381,299 0.335,300 0.335,301 4.161,305 1,306 1,307 857,308 3.937,311 75.892,312 311.064,315 142.291,319 2.044,320 58.857,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 71.5,332 397,333 4.666,334 4.461,335 7.119,336 4.195,337 3.328,338 4.626,339 3.825,340 11.704,341 3.118,342 4.483,343 3.573,344 6.884,345 4.192,346 3.229,347 3.996,348 1.656,349 11.489,350 2.934,351 4.096,352 3.244,353 6.055,354 3.739,355 2.805,356 3.673,357 0.247,358 8.727,359 2.611,360 4.031,361 3.094,362 5.856,363 3.611,364 2.649,365 3.352,367 8.06,368 2.502,369 3.72,370 2.654,371 5.446,372 3.348,373 2.385,374 3.066,376 7.205,377 2.279,378 3.432,379 2.325,380 5.034,381 2.981,382 2.017,383 2.809,385 5.678,386 1.943,387 3.393,388 2.059,389 4.818,390 2.857,391 1.969,392 2.644,394 5.436,395 1.718,396 2.99,397 2.047,398 4.592,399 2.485,400 1.574,401 2.211,403 4.625,404 1.43,405 2.91,406 1.756,407 4.416,408 2.455,409 1.516,410 2.023,412 4.079,413 1.381,414 2.806,415 1.539,416 4.108,417 2.347,418 1.372,419 1.914,421 3.592,422 1.323,423 2.553,424 1.088,425 3.81,426 2,427 1.064,428 1.577,430 2.685,431 1,432 2.5,433 1,434 3.414,435 1.994,436 1,437 1.5,439 2.275,440 0.979,441 2.187,442 0.808,443 3.314,444 1.573,445 0.744,446 1.053,448 1.81,449 0.602,450 1.468,451 0.727,452 3.014,453 1.146,454 0.228,455 0.27,457 0.573,458 0.206,459 1.302,460 0.546,461 2.865,462 0.91,463 -0.052,464 -0.065,466 -0.128,467 -0.049,468 14.31,469 0.462,470 1.039,471 0.034,472 43.5,473 1.403,474 23,475 0.742,476 20.5,477 0.661,478 22.761,479 0.734,480 33.09,481 0.752,482 36.507,483 1.178,484 8.787,485 0.283,486 5.933,487 0.191,488 0.131,489 0.035,490 0.349,493 3,494 1,496 0.642,497 0.869,498 0.626,499 0.776,500 0.626,501 0.712,502 0.424,503 0.729,504 0.732,505 0.92,506 0.427,507 0.889,508 0.78,509 0.943,510 0.815,511 0.957,512 0.712,513 1.038,514 1.102,515 1.073,516 1.104,517 1.096,518 1.068,519 1.118,520 0.84,521 0.812,522 1.247,523 1.116,524 0.878,525 1.134,526 0.924,527 0.783,528 1.085,529 0.894,530 0.897,531 0.988,532 0.499,533 0.689,534 0.727,535 0.823,536 0.506,537 1.034,538 0.889,539 0.869,540 0.958,541 0.978,542 0.91,543 1.08,544 8,545 0.141,546 4.222,547 2.5,548 2.099,549 1.132,550 0.692,551 0.398,552 0.304,553 0.303,554 14089,555 58504,556 2.038,557 29.5,559 7,560 1,561 1,562 4,567 1.731,568 1.869,569 3.615,570 1.696,572 1,577 86.061,578 1.956,579 3.893,580 4.677,581 5.079,582 5.124,583 5.124,584 3.039,585 4.607,586 4.931,587 3.841,588 1786.06,589 8.578,590 26471.3,592 1,595 240.215,596 1.663,597 4.859,598 0.235,599 0.006,600 0.084,601 0.05,602 0.046,603 0.028,604 0.02,605 0.013,606 0.011,607 0.011,608 0.504,609 0.17,610 1,611 0.778,612 163.596,613 -0.093,614 -0.018,615 -0.005,616 0.1,617 -0.114,618 0.095,619 0.363,620 0.255,621 0.048,622 0.038,623 0.335,624 -0.045,625 -0.078,626 -0.114,627 -0.044,628 -0.071,629 -0.031,630 -0.113,631 -0.184,632 -0.133,633 -0.105,634 -0.101,635 -0.156,636 -0.113,637 0.029,638 0.005,639 -0.136,640 -0.091,641 0.001,642 -0.089,643 0.092,644 0.137,645 -0.072,646 0.054,647 0.135,648 0.025,649 0.321,650 0.094,651 0.111,652 0.015,653 0.308,654 -0.039,655 -0.031,656 -0.009,657 0.031,658 -0.009,659 -0.065,660 0.037,661 5.906,662 5.798,663 0.677,664 31.584,665 1.051,666 1.147,667 3.935,668 15.483,669 0.715,670 3.555,671 3.932,672 4.174,673 4.431,674 4.644,675 4.7,676 4.771,677 4.836,678 4.89,679 4.934,680 7.794,681 0.721,682 447.45,683 3.555,684 5.13,685 5.984,686 6.882,687 7.755,688 8.653,689 9.532,690 10.429,691 11.312,692 12.209,693 11.4,697 1,700 2,703 2,708 2,709 9,710 2,713 1,714 7,716 22,727 1,734 1,735 44,737 23,738 2,739 34,741 47,742 20,743 18,744 5,745 7,748 4,749 5,753 1,754 1,759 1,762 19,763 1,767 1,772 1,776 1,780 1,781 4,783 13,784 10,785 4,786 11,787 1,792 5,797 0.75,798 1,810 1,815 1,816 3,819 1,843 3,845 1,849 4,851 31,852 1,860 2,865 1,869 1,873 4,874 2.3,877 1,881 16.583,882 7.888,883 6.556,884 2.307,886 4.22,887 1.534,888 1.04,889 5.61,890 12.116,891 3.85,892 4.514,893 5.114,894 5.737,895 6.276,896 6.573,897 6.96,898 7.362,899 7.611,900 7.932,901 1,902 50,903 12.039,905 5.876,906 8.46,907 20.455,909 16.79,911 2.96,912 91.75,915 1,916 105.94,917 155.324,918 102.49,920 25.145,921 59.84,922 31.278,923 124.046,924 131.085,925 162.33,927 36.022,928 106.88,929 70.804,930 80.263,931 33.335,932 113.675,933 7.76,934 105.94,935 226.536,936 84.985,937 31.278,939 120.9,940 70.025,943 52.717,944 140.248,945 33.571,946 31.278,947 165.78,948 127.635,949 155.324,952 113.699,953 64.963,954 82.601,955 36.022,956 151.454,957 105.94,958 187.475,959 155.324,961 0.6,962 0.341,963 0.178,964 0.098,965 25,966 12,967 0.064,968 3,969 1,970 1.095,971 4.195,972 277.848,973 0.095,974 21,975 144.825,977 1,981 21.165,982 8.217,983 4.505,984 1.471,985 187.475,986 11.714,987 8.172,990 1.417,991 -0.28,993 68.919,994 448.739,995 46,1000 12.127,1004 -0.885,1007 46.265,1008 50.471,1009 0.358,1010 0.713,1011 0.857,1012 0.93,1013 0.939,1014 0.939,1015 5.109,1016 1.574,1017 6.023,1018 5.436,1019 4.615,1020 5.201,1021 3.244,1022 6.887,1023 4.48,1024 6.363,1025 1.516,1026 7.626,1027 4.625,1028 4.443,1029 5.147,1030 3.949,1031 8.046,1032 4.18,1033 7.704,1034 1.372,1035 9.336,1036 4.079,1037 6.308,1038 7.474,1039 5.464,1040 11.077,1041 6.041,1042 9.079,1043 1.064,1044 11.11,1045 3.592,1046 6.909,1047 8.206,1048 6.701,1049 13.036,1050 6.507,1051 10.484,1052 1,1053 12.926,1054 2.685,1055 8.319,1056 10.051,1057 8.065,1058 15.658,1059 7.9,1060 11.91,1061 0.744,1062 14.772,1063 2.275,1064 9.249,1065 11.168,1066 9.391,1067 17.921,1068 8.708,1069 13.353,1070 0.228,1071 16.638,1072 1.81,1073 10.5,1074 12.814,1075 10.736,1076 20.42,1077 9.92,1078 3.328,1079 -0.052,1080 18.522,1081 0.573,1082 11.571,1083 14.128,1084 12.075,1085 22.798,1086 10.886,1087 3.229,1088 11.704,1089 20.418,1090 -0.128,1091 12.769,1092 15.689,1093 13.417,1094 25.261,1095 12.028,1096 2.805,1097 11.489,1098 22.324,1099 4.626,1100 13.901,1101 17.105,1102 14.758,1103 27.682,1104 13.07,1105 2.649,1106 8.727,1107 24.238,1108 3.996,1109 15.083,1110 18.634,1111 16.1,1112 30.135,1113 14.187,1114 2.385,1115 8.06,1116 26.159,1117 3.673,1118 16.243,1119 20.101,1120 17.441,1121 32.574,1122 15.264,1123 2.017,1124 7.205,1125 28.085,1126 3.352,1127 17.423,1128 21.619,1129 18.783,1130 35.025,1131 16.376,1132 1.969,1133 5.678,1134 30.015,1135 3.066,1136 18.596,1137 23.113,1138 20.124,1139 37.471,1140 17.472,1141 13406,1142 27528,1143 22.076,1144 31.449,1145 52.587,1146 52.761,1147 53.405,1148 51.906,1149 51.762,1150 69.427,1151 11.457,1152 155.874,1153 48.052,1154 5.54,1155 6.461,1156 6.663,1157 5.301,1158 5.328,1159 7.626,1160 5.335,1161 18.877,1162 5.118,1163 18.282,1164 1.547,1165 1.552,1166 1.571,1167 1.527,1168 1.522,1169 2.042,1170 0.337,1171 4.585,1172 1.413,1173 4.093,1174 4.111,1175 4.324,1176 4.08,1177 8.513,1178 4.043,1179 3.954,1180 3.982,1181 3.935,1182 3.858,1183 8.201,1184 3.866,1185 3.832,1186 3.866,1187 3.815,1188 3.759,1189 7.999,1190 3.748,1191 3.464,1192 3.509,1193 3.453,1194 3.187,1195 7.999,1196 3.234,1197 3.312,1198 3.359,1199 3.441,1200 3.119,1201 7.431,1202 3.121,1203 3.241,1204 3.285,1205 3.293,1206 2.977,1207 5.222,1208 3.024,1209 3,1210 3.107,1211 2.968,1212 2.812,1213 4.798,1214 2.792,1215 2.866,1216 2.94,1217 2.754,1218 2.735,1219 4.703,1220 2.715,1221 0.137,1222 0.131,1223 0.209,1224 0.123,1225 0.098,1226 4.666,1227 0.136,1228 4.461,1229 0.113,1230 7.119,1231 0.344,1232 4.195,1233 0.092,1234 3.328,1235 4.626,1236 3.825,1237 11.704,1238 3.118,1239 1.947,1240 1.924,1241 2.029,1242 2.044,1243 1.156,1244 2.037,1245 1.894,1246 1.871,1247 1.969,1248 2.004,1249 1.085,1250 1.992,1251 1.748,1252 1.716,1253 1.789,1254 1.903,1255 0.872,1256 1.885,1257 1.386,1258 1.374,1259 1.43,1260 1.617,1261 0.587,1262 1.567,1263 1.232,1264 1.199,1265 1.302,1266 1.428,1267 0.321,1268 1.412,1269 1.051,1270 1.019,1271 1.181,1272 1.353,1273 0.218,1274 1.299,1275 0.893,1276 0.839,1277 1.162,1278 1.231,1279 0.195,1280 1.223,1281 0.886,1282 0.821,1283 1.147,1284 1.062,1285 0.122,1286 1.107,1287 4.234,1289 5.595,1290 2.398,1291 7.136,1292 4.727,1293 8.76,1294 6.862,1295 10.426,1299 52.183,1301 5.947,1305 4.541,1310 -4.656,1314 31.703,1315 86.061,1316 171.279,1317 205.809,1318 223.46,1319 225.46,1320 225.46,1321 78.563,1322 7.896,1323 92.93,1324 121.17,1325 23,1326 12.736,1327 4.585,1328 3.7,1329 49.804,1330 149,1331 112,1332 0.163,1333 194.734,1334 339.06,1335 466.91,1336 32716,1337 9.1,1338 22.173,1339 0.715,1340 0.526,1341 19.156,1342 16.313,1343 14.719,1344 0.433,1345 0.283,1346 8.637,1347 13.492,1348 8.474,1349 6.949,1350 13.551,1351 9.63,1352 14.458,1353 0.289,1354 0.146,1355 12.533,1356 7.295,1357 11.326,1358 0.177,1359 0.083,1360 10.488,1361 5.282,1362 9.373,1363 0.113,1364 0.046,1365 9.53,1366 3.85,1367 7.567,1368 0.073,1369 0.024,1370 7.378,1371 2.507,1372 0.263,1373 98.564,1374 0.213,1375 29.5,1376 0.428,1377 168,1378 776.309,1379 222.754,1380 667.694,1381 868.01,1382 616,1383 198,1384 594.651,1385 242.096,1386 592.829,1387 887.09,1388 555,1389 6.1}
{0 CHEMBL1998611,1 2.2,2 5.067,3 2.652,4 7.031,5 66.929,6 14.552,7 0.625,8 3.198,9 3.276,10 3.373,11 2.98,12 4.51,13 2.907,14 3.606,15 3.671,16 3.891,17 3.417,18 4.989,19 3.306,20 3.796,21 3.857,22 4.29,23 3.542,24 5.169,25 3.396,26 3.781,27 3.855,28 4.077,29 3.424,30 5.305,31 3.259,32 3.587,33 3.736,34 3.882,35 2.959,36 5.005,37 2.811,38 3.339,39 3.527,40 3.463,41 2.471,42 5.01,43 2.384,44 2.761,45 3.001,46 1.22,47 1.774,48 3.844,49 1.44,50 1.515,51 1.922,52 0.028,53 0.457,54 1.609,55 0.245,56 0.105,57 0.293,58 3.266,59 1.375,60 16.333,61 1.092,62 0.159,63 0.409,64 9.279,65 2.486,66 24.838,67 2.725,68 0.245,69 0.497,70 24.763,71 4.452,72 34.775,73 3.224,74 0.263,75 0.496,76 26.383,77 4.881,78 39.024,79 3.713,80 0.303,81 0.393,82 20.123,83 3.428,84 42.863,85 2.396,86 0.302,87 0.274,88 23.119,89 3.732,90 34.495,91 3.156,92 0.183,93 0.148,94 20.065,95 2.447,96 24.828,97 1.925,98 0.037,99 0.044,100 5.085,101 0.838,102 5.383,103 1.067,104 27,105 24,106 0.458,107 0.775,108 0.815,109 0.874,110 0.874,111 0.874,112 2.799,113 1.119,114 -4.3,115 -4.24,116 -4,117 1,119 42.9,142 2,143 1,144 3,152 2,158 1,163 2,164 2,165 2,172 1,177 1,178 1,180 1,183 5,185 1,188 1,193 2,196 6,198 2,200 1,202 1,203 1,204 1,205 3,207 2,208 2,210 3,211 1,218 2,221 1,223 2,225 4,230 4,235 4,276 172,277 9.552,278 9.552,279 9.552,280 9.552,281 9.552,282 8.108,283 9.232,284 5.315,285 9.936,286 7.82,287 7.82,288 7.82,289 7.82,290 7.82,291 5.645,292 8.379,293 2.453,294 8.634,295 2.192,296 0.667,297 0.476,298 0.19,299 0.19,300 0.19,301 3.429,302 1,305 1,306 1,307 154,308 2.449,311 26.227,312 34.306,315 51.4,319 0.747,320 19.301,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 32.083,332 76,333 4.751,334 3.602,335 6.989,336 4.247,337 3.315,338 4.736,339 0.98,340 11.802,341 3.073,342 3.985,343 3.323,344 6.089,345 3.563,346 2.615,347 3.455,349 8.487,350 2.448,351 3.633,352 2.804,353 5.604,354 3.1,355 2.244,356 3.056,358 7.001,359 1.85,360 3.233,361 2.481,362 4.742,363 2.749,364 1.803,365 2.466,367 4.743,368 1.607,369 2.719,370 1.548,371 4.315,372 2.226,373 1.299,374 1.769,376 3.543,377 1.17,378 2.4,379 1.317,380 3.758,381 1.763,382 0.918,383 1.31,385 2.422,386 0.723,387 1.467,388 0.855,389 2.752,390 0.9,391 0.169,392 0.207,394 0.368,395 0.092,396 0.889,397 0.211,398 2.53,399 0.491,400 -0.396,401 -0.467,403 -0.993,404 -0.303,405 0.496,406 -0.042,407 2.306,408 0.048,409 -1,410 -1.184,412 -2,413 -0.556,414 0.303,415 -0.469,416 1.816,417 -0.144,418 -1,419 -1.299,421 -2.411,422 -0.945,423 0.177,424 -0.993,425 1.487,426 -0.407,427 -1.076,428 -1.575,430 -3.542,431 -1.041,432 -0.225,433 -1.223,434 1.429,435 -0.594,436 -1.497,437 -1.913,439 -3.953,440 -1.171,441 -0.291,442 -1.433,443 1.285,444 -0.812,445 -1.592,446 -2.069,448 -4.95,449 -1.479,450 -0.435,451 -1.846,452 1.211,453 -0.911,454 -1.889,455 -2.642,457 -6.111,458 -1.577,459 -0.5,460 -1.896,461 1,462 -1,463 -1.914,464 -2.849,466 -7.006,467 -1.89,468 8.514,469 0.568,470 0.566,471 0.038,472 19,473 1.267,474 10,475 0.667,476 9,477 0.6,478 12.866,479 0.858,480 14.886,481 0.709,482 9.904,483 0.66,484 3.415,485 0.228,486 3.604,487 0.24,488 0.374,490 0.411,496 0.839,497 0.589,498 0.508,499 0.41,500 0.87,501 0.43,502 0.537,503 0.757,504 0.616,505 0.587,506 0.473,507 0.565,508 1.053,509 1.157,510 0.97,511 0.962,512 1.1,513 0.853,514 0.924,515 1.348,516 1.221,517 1.432,518 0.743,519 1.28,520 1.483,521 1.146,522 0.885,523 0.998,524 1.592,525 1.289,526 0.767,527 1.087,528 1.483,529 1.377,530 0.955,531 1.222,532 2.035,533 0.615,534 1.861,535 1.45,536 1.927,537 1.822,544 3.5,546 2.444,547 1.917,548 1.339,549 0.427,550 0.111,554 1269,555 6474,556 1.918,557 28.6,559 2,562 4,567 1.541,568 1.698,569 2.433,570 2.35,574 1,577 46.2,578 2.2,579 3.726,580 3.916,581 4.202,582 4.202,583 4.202,584 1.566,585 3.64,586 3.88,587 2.482,588 260.568,589 6.549,590 2135.03,592 1,595 92.239,596 1.506,597 3.772,598 0.219,600 0.102,601 0.077,602 0.064,603 0.039,604 0.014,608 0.514,609 0.33,610 1,611 1.049,612 56.301,613 -0.239,614 0.477,615 -0.024,616 0.233,617 -0.251,618 0.22,619 0.101,620 0.173,621 0.01,622 0.179,623 0.158,624 0.205,625 -0.155,626 -0.211,627 -0.004,628 0.012,629 -0.199,630 -0.011,631 0.013,632 -0.345,633 -0.195,634 -0.375,635 0.13,636 -0.388,637 -0.317,638 -0.18,639 0.074,640 -0.1,641 -0.389,642 -0.327,643 0.546,644 -0.22,645 -0.043,646 -0.257,647 0.44,648 0.022,649 -0.684,650 0.212,651 -0.451,652 -0.231,653 -0.608,654 -0.397,655 0.778,656 0.82,657 0.624,658 1.315,659 0.638,660 2.186,661 2.198,662 4.108,663 0.6,664 7.369,665 1.039,666 1.103,667 3.075,668 9.453,669 0.838,670 2.833,671 3.219,672 3.526,673 3.807,674 3.97,675 3.989,676 3.784,677 3.611,678 3.296,679 2.398,680 3.431,681 0.78,682 305.59,683 2.833,684 4.394,685 5.273,686 6.188,687 7.093,688 8.012,689 8.923,690 9.843,691 10.757,692 11.677,693 9.5,697 1,700 1,708 2,709 2,713 1,714 4,716 10,722 1,727 1,734 2,735 21,737 11,738 1,739 16,740 1,741 22,742 9,743 8,744 4,745 2,746 1,748 2,749 3,750 1,762 9,767 1,772 1,776 1,780 1,783 6,784 3,785 4,786 6,787 3,792 2,797 0.5,798 1,815 1,816 1,819 1,843 1,845 1,846 1,848 1,851 15,852 2,869 1,873 2,874 4.8,877 1,881 8.833,882 3.702,883 3.25,884 1.016,886 2.233,887 1.38,888 1.029,889 2.919,890 8.106,891 3.135,892 3.855,893 4.539,894 5.202,895 5.725,896 6.087,897 6.281,898 6.533,899 6.409,900 5.732,901 0.5,902 25,903 5.485,904 -0.001,905 2.375,906 8.124,907 10.049,909 8.256,911 2.624,912 39.361,913 0.002,916 23.542,917 68.924,918 111.748,919 39.149,920 25.145,922 31.278,923 83.601,924 87.836,925 65.794,927 32.897,928 51.85,929 29.85,930 11.885,931 2.104,932 54.82,933 85.103,934 23.542,935 103.441,936 25.145,937 70.426,938 45.954,939 23.542,940 25.145,943 32.897,944 70.544,945 39.149,946 77.232,947 23.542,948 90.939,949 154.027,952 23.542,953 49.972,954 18.952,955 45.954,956 130.088,957 23.542,958 90.939,959 154.027,961 0.606,962 0.37,963 0.2,964 0.108,965 13,966 7,967 0.045,968 1,969 1,970 1.222,971 2.531,972 102.457,973 0.222,974 9,975 58.603,977 1,981 11.169,982 3.92,983 1.746,984 1.527,985 90.939,986 3.535,990 1.242,991 2.077,993 65.794,994 268.509,995 22,1000 11.108,1004 -0.531,1007 21.811,1008 23.157,1009 0.501,1010 0.848,1011 0.892,1012 0.957,1013 0.957,1014 0.957,1015 4.388,1016 -0.396,1017 5.323,1018 0.368,1019 3.892,1020 4.538,1021 1.072,1022 6.229,1023 3.697,1024 5.672,1025 -1,1026 6.957,1027 -0.993,1028 3.761,1029 4.677,1031 7.338,1032 3.449,1033 7.038,1034 -1,1035 8.692,1036 -2,1037 5.58,1038 6.929,1039 1.045,1040 10.478,1041 5.249,1042 8.444,1043 -1.076,1044 10.48,1045 -2.411,1046 6.217,1047 7.87,1049 12.391,1050 5.771,1051 9.881,1052 -1.497,1053 12.302,1054 -3.542,1055 7.603,1056 9.669,1057 1.019,1058 15.086,1059 7.138,1060 11.342,1061 -1.592,1062 14.147,1063 -3.953,1064 8.564,1065 10.96,1067 17.327,1068 7.994,1069 12.821,1070 -1.889,1071 16.01,1072 -4.95,1073 9.809,1074 12.599,1075 0.993,1076 19.871,1077 9.203,1078 3.315,1079 -1.914,1080 17.887,1081 -6.111,1082 10.905,1083 14.044,1085 22.247,1086 10.205,1087 2.615,1088 11.802,1089 19.775,1090 -7.006,1091 12.107,1092 15.626,1093 0.967,1094 24.74,1095 11.354,1096 2.244,1097 8.487,1098 21.671,1099 4.736,1100 13.26,1101 17.135,1103 27.17,1104 12.42,1105 1.803,1106 7.001,1107 23.575,1108 3.455,1109 14.452,1110 18.698,1111 0.942,1112 29.645,1113 13.548,1114 1.299,1115 4.743,1116 25.485,1117 3.056,1118 15.628,1119 20.234,1121 32.098,1122 14.643,1123 0.918,1124 3.543,1125 27.4,1126 2.466,1127 16.819,1128 21.79,1129 0.917,1130 34.568,1131 15.764,1132 0.169,1133 2.422,1134 29.32,1135 1.769,1136 18.006,1137 23.337,1139 37.03,1140 16.872,1141 1392,1142 3193,1143 9.77,1144 17.608,1145 25.124,1146 26.401,1147 26.996,1148 24.757,1149 24.729,1150 33.998,1151 1.96,1152 76.73,1153 21.926,1154 5.352,1155 5.602,1156 6.303,1157 5.366,1158 5.315,1159 7.736,1160 1.96,1161 19.199,1162 5.073,1163 9.299,1164 1.57,1165 1.65,1166 1.687,1167 1.547,1168 1.546,1169 2.125,1170 0.122,1171 4.796,1172 1.37,1173 4.09,1174 4.087,1175 6.881,1176 4.13,1177 7.437,1178 4.073,1179 3.528,1180 3.555,1181 4.337,1182 3.443,1183 5.14,1184 3.415,1185 3.167,1186 3.248,1187 3.761,1188 3.028,1189 4.874,1190 2.954,1191 2.961,1192 2.964,1193 3.251,1194 2.876,1195 4.836,1196 2.894,1197 2.697,1198 2.793,1199 3.015,1200 2.428,1201 4.372,1202 2.395,1203 2.371,1204 2.465,1205 2.886,1206 2.21,1207 3.909,1208 2.09,1209 2.023,1210 2.009,1211 2.208,1212 1.805,1213 3.429,1214 1.739,1215 1.634,1216 1.746,1217 2.068,1218 1.599,1219 2.861,1220 1.467,1221 0.297,1222 0.225,1223 0.437,1224 0.265,1225 0.207,1226 4.751,1227 0.296,1228 3.602,1229 0.061,1230 6.989,1231 0.738,1232 4.247,1233 0.192,1234 3.315,1235 4.736,1236 0.98,1237 11.802,1238 3.073,1239 1.91,1240 1.907,1241 1.907,1242 1.939,1243 1.146,1244 1.954,1245 1.555,1246 1.556,1247 1.557,1248 1.712,1249 0.685,1250 1.7,1251 1.055,1252 1,1253 1.293,1254 1.398,1255 0.267,1256 1.38,1257 0.919,1258 0.904,1259 0.92,1260 0.968,1262 1.05,1263 0.67,1264 0.623,1265 0.841,1266 0.866,1268 0.896,1269 0.39,1270 0.246,1271 0.672,1272 0.729,1274 0.747,1277 0.142,1278 0.315,1280 0.303,1287 3.497,1289 4.86,1290 2.398,1291 6.422,1292 4.844,1293 8.079,1294 7.066,1295 9.787,1296 3.372,1298 6.006,1301 11.026,1314 16.378,1315 46.2,1316 78.239,1317 82.239,1318 88.239,1319 88.239,1320 88.239,1321 26.157,1322 5.872,1323 69.11,1324 97.35,1325 11,1326 12.187,1327 3.585,1328 2.807,1329 23.301,1330 32,1331 25,1332 0.418,1333 116.64,1334 188.33,1335 276.362,1336 1862,1337 9.5,1338 11.163,1339 0.744,1340 0.703,1341 13.016,1342 10.54,1343 7.02,1344 0.439,1345 0.373,1346 4.095,1347 5.649,1348 3.849,1349 3.146,1350 8.294,1351 5.966,1352 6.776,1353 0.282,1354 0.218,1355 8.477,1356 5.225,1357 5.643,1358 0.171,1359 0.136,1360 7.845,1361 4.492,1362 4.725,1363 0.107,1364 0.073,1365 6.667,1366 3.23,1367 3.534,1368 0.068,1369 0.047,1370 5.717,1371 2.435,1372 0.59,1373 58.903,1374 0.32,1375 14.456,1376 1.36,1377 80,1378 264.078,1379 191.281,1380 347.411,1381 445,1382 318,1383 97,1384 255.665,1385 183.564,1386 299.475,1387 444.29,1388 281,1389 5.6}
{0 CHEMBL1998829,1 1.58,2 10.72,3 4,4 15.998,5 98.136,6 8.918,7 0.786,8 3.785,9 3.886,10 3.511,11 3.45,12 4.98,13 3.431,14 4.242,15 4.36,16 3.886,17 3.836,18 5.448,19 3.797,20 4.482,21 4.65,22 3.905,23 3.913,24 5.643,25 3.846,26 4.463,27 4.652,28 3.758,29 3.801,30 5.632,31 3.736,32 4.389,33 4.586,34 3.692,35 3.707,36 5.569,37 3.648,38 4.306,39 4.503,40 3.699,41 3.651,42 5.496,43 3.59,44 4.243,45 4.457,46 3.503,47 3.557,48 5.367,49 3.478,50 4.087,51 4.292,52 3.422,53 3.437,54 5.222,55 3.357,56 0.036,57 0.525,58 5.293,59 2.929,60 5.436,61 3.44,62 0.118,63 0.832,64 9.237,65 4.91,66 12.73,67 5.954,68 0.172,69 1.037,70 17.381,71 7.069,72 25.649,73 8.584,74 0.216,75 1.027,76 18.214,77 6.889,78 33.393,79 8.111,80 0.269,81 0.971,82 15.553,83 6.393,84 40.117,85 7.631,86 0.255,87 0.898,88 14.975,89 5.71,90 31.3,91 6.98,92 0.205,93 0.84,94 15.017,95 5.636,96 25.114,97 7.063,98 0.154,99 0.69,100 12.534,101 4.952,102 25.16,103 6.007,104 5,105 39,106 0.275,107 0.549,108 0.705,109 0.817,110 0.847,111 0.847,112 3.267,113 0.876,114 -5.02,115 -4.92,116 -4.61,119 51.3,142 10,143 4,144 2,145 1,151 1,158 1,161 1,172 13,175 2,178 2,180 4,183 16,188 4,191 1,193 5,196 12,200 4,205 5,208 7,212 1,213 4,217 1,218 3,221 6,225 6,230 4,233 6,238 4,241 1,243 3,246 5,250 2,255 3,258 7,264 3,269 2,272 9,276 873,277 17.154,278 17.154,279 17.154,280 17.154,281 17.154,282 14.469,283 9.121,284 10.164,285 17.433,286 13.836,287 13.836,288 13.836,289 13.836,290 13.836,291 9.846,292 11.333,293 4.861,294 14.335,295 3.705,296 2.128,297 1.23,298 0.583,299 0.41,300 0.41,301 3.967,302 1,304 1,305 1,306 1,307 591,308 2.739,311 56.193,312 220.586,315 99.756,319 1.594,320 19.287,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 52.833,332 268,333 4.61,334 3.574,335 6.718,336 4.154,337 3.171,338 4.555,339 1.058,340 10.945,341 3.119,342 4.195,343 3.168,344 6.057,345 3.834,346 2.838,347 3.765,349 8.718,350 2.822,351 3.951,352 2.907,353 5.762,354 3.517,355 2.54,356 3.535,358 7.828,359 2.482,360 3.716,361 2.57,362 5.259,363 3.257,364 2.328,365 3.133,367 6.654,368 2.161,369 3.519,370 2.275,371 4.997,372 3.058,373 2.119,374 2.893,376 5.927,377 1.916,378 3.219,379 1.965,380 4.635,381 2.713,382 1.741,383 2.556,385 4.65,386 1.687,387 2.829,388 1.742,389 4.09,390 2.323,391 1.351,392 1.975,394 3.5,395 1.304,396 2.77,397 1.341,398 3.978,399 2.254,400 1.271,401 1.805,403 3.195,404 1.209,405 2.557,406 1.099,407 3.5,408 2.026,409 1.056,410 1.573,412 2.579,413 1.019,414 2.5,415 1,416 3.414,417 2,418 1,419 1.5,421 2.275,422 1,423 2.5,424 1,425 3.247,426 2,427 1,428 1.5,430 2.136,431 1,432 2.057,433 0.696,434 3.214,435 1.52,436 0.579,437 0.846,439 1.436,440 0.543,441 1.217,442 0.482,443 2.783,444 0.834,445 -0.097,446 -0.119,448 -0.241,449 -0.079,450 1.113,451 0.308,452 2.366,453 0.592,454 -0.31,455 -0.416,457 -0.698,458 -0.247,459 0.771,460 -0.441,461 2.252,462 0.34,463 -0.656,464 -0.898,466 -1.554,467 -0.647,468 12.248,469 0.49,470 0.554,471 0.022,472 38,473 1.52,474 22,475 0.88,476 16,477 0.64,478 15.393,479 0.616,480 24.352,481 0.624,482 26.41,483 1.056,484 7.66,485 0.306,486 4.544,487 0.182,488 0.086,490 0.327,496 0.704,497 1.032,498 0.567,499 0.759,500 0.582,501 0.728,502 0.603,503 1.067,504 0.692,505 0.925,506 0.58,507 0.926,508 0.966,509 1.128,510 0.992,511 1.086,512 0.912,513 1.055,514 1.262,515 1.097,516 1.001,517 1.045,518 1.274,519 1.035,520 1.134,521 1.02,522 0.716,523 0.884,524 1.421,525 0.928,526 0.755,527 1.089,528 0.744,529 1.008,530 0.682,531 0.984,532 0.918,533 0.987,534 0.866,535 0.941,536 0.867,537 0.963,538 1.154,539 0.896,540 0.818,541 0.823,542 1.202,543 0.875,544 4.5,545 0.079,546 2.889,547 1.444,548 1.192,549 0.671,550 0.348,551 0.37,552 0.239,553 0.109,554 7607,555 22726,556 2.154,557 35.9,559 10,560 1,561 1,562 2,567 1.679,568 2.055,569 3.405,570 0.233,572 1,577 61.634,578 1.58,579 3.157,580 4.055,581 4.702,582 4.875,583 4.875,584 2.889,585 4.244,586 4.615,587 3.519,588 1055.72,589 7.975,590 12751.8,592 1,594 1,595 206.131,596 1.26,597 4.592,598 0.161,599 0.005,600 0.074,601 0.038,602 0.036,603 0.022,604 0.012,605 0.015,606 0.011,607 0.006,608 0.379,609 0.5,610 1,611 0.477,612 120.793,613 -0.074,615 0.008,616 0.047,617 -0.086,618 0.052,619 0.102,620 -0.052,621 -0.031,622 -0.084,623 0.027,624 -0.107,625 -0.052,626 -0.145,627 -0.095,628 -0.15,629 -0.021,630 -0.124,631 -0.173,632 -0.087,633 -0.126,634 -0.098,635 -0.096,636 -0.088,637 -0.009,638 0.001,639 0.027,640 0.055,641 -0.078,642 0.024,643 0.164,644 -0.046,645 0.079,646 -0.078,647 0.16,648 -0.033,649 0.015,650 0.041,651 0.003,652 0.023,653 0.027,654 0.029,655 -0.117,656 0.084,657 0.089,658 0.166,659 -0.036,660 0.129,661 1.866,662 5.365,663 0.84,664 21.357,665 1.007,666 1.106,667 3.79,668 14.362,669 0.741,670 3.367,671 3.689,672 3.97,673 4.234,674 4.466,675 4.522,676 4.635,677 4.779,678 4.812,679 4.89,680 6.176,681 0.712,682 347.82,683 3.367,684 4.905,685 5.759,686 6.635,687 7.506,688 8.388,689 9.267,690 10.153,691 11.037,692 11.926,693 7.7,700 1,701 1,703 1,708 2,709 12,710 1,711 1,714 5,716 22,723 1,734 1,735 39,737 23,738 2,739 28,741 42,742 20,743 19,744 3,745 9,746 1,748 4,749 5,750 1,762 20,767 1,772 1,776 1,780 1,783 14,784 3,785 2,786 5,787 1,792 3,797 0.75,798 1,809 1,811 1,815 1,816 3,819 1,843 3,848 1,851 25,860 1,873 1,874 2.6,877 1,881 12.167,882 7.01,883 5.444,884 2.215,886 3.998,887 1.536,888 1.052,889 4.162,890 11.454,891 3.714,892 4.36,893 4.995,894 5.619,895 6.181,896 6.492,897 6.93,898 7.378,899 7.65,900 8.04,901 1,902 38,903 9.183,905 3.945,906 7.758,907 17.395,909 14.324,911 2.258,912 56.444,916 141.253,917 137.664,918 51.582,919 39.149,920 25.145,923 137.664,924 205.547,925 51.582,927 18.011,928 103.81,929 60.122,930 44.22,931 11.771,932 117.711,933 39.149,934 141.253,935 189.246,936 25.145,937 39.149,939 141.253,940 25.145,943 45.559,944 126.902,945 55.934,947 141.253,948 76.727,949 176.813,952 141.253,953 24.807,954 112.857,955 34.796,956 81.079,957 141.253,958 76.727,959 176.813,961 0.581,962 0.339,963 0.182,964 0.102,965 20,966 8,967 0.071,968 3,969 1,970 1.095,971 3.795,972 209.589,973 0.095,974 21,975 108.096,981 15.731,982 6.614,983 3.236,984 1.739,985 59.941,986 22.313,987 4.397,988 3.167,991 3.924,993 34.796,994 394.793,995 40,1000 12.365,1004 -0.199,1007 39.258,1008 43.14,1009 0.299,1010 0.597,1011 0.767,1012 0.89,1013 0.922,1014 0.922,1015 4.924,1016 1.271,1017 5.733,1018 3.5,1019 4.369,1020 5.047,1021 1.176,1022 6.532,1023 4.307,1024 6.145,1025 1.056,1026 7.281,1027 3.195,1028 3.892,1029 4.796,1031 7.402,1032 3.787,1033 7.453,1034 1,1035 8.93,1036 2.579,1037 5.948,1038 7.303,1039 1.255,1040 10.509,1041 5.845,1042 8.799,1043 1,1044 10.639,1045 2.275,1046 6.312,1047 7.917,1049 12.246,1050 6.188,1051 10.178,1052 0.579,1053 12.388,1054 2.136,1055 7.816,1056 9.856,1057 1.338,1058 14.863,1059 7.687,1060 11.581,1061 -0.097,1062 14.166,1063 1.436,1064 8.574,1065 10.901,1067 16.965,1068 8.436,1069 13.002,1070 -0.31,1071 15.964,1072 -0.241,1073 9.85,1074 12.592,1075 1.422,1076 19.421,1077 9.703,1078 3.171,1079 -0.656,1080 17.779,1081 -0.698,1082 10.802,1083 13.864,1085 21.681,1086 10.646,1087 2.838,1088 10.945,1089 19.607,1090 -1.554,1091 11.984,1092 15.444,1093 1.51,1094 24.085,1095 11.817,1096 2.54,1097 8.718,1098 21.446,1099 4.555,1100 13.03,1101 16.835,1103 26.415,1104 12.852,1105 2.328,1106 7.828,1107 23.293,1108 3.765,1109 14.177,1110 18.369,1111 1.599,1112 28.805,1113 13.986,1114 2.119,1115 6.654,1116 25.148,1117 3.535,1118 15.269,1119 19.82,1121 31.167,1122 15.066,1123 1.741,1124 5.927,1125 27.009,1126 3.133,1127 16.406,1128 21.336,1129 1.69,1130 33.553,1131 16.188,1132 1.351,1133 4.65,1134 28.875,1135 2.893,1136 17.521,1137 22.817,1139 35.93,1140 17.289,1141 7142,1142 12472,1143 19.186,1144 28.898,1145 42.559,1146 43.494,1147 42.884,1148 42.169,1149 41.987,1150 59.27,1151 2.117,1152 119.682,1153 40.524,1154 5.435,1155 5.574,1156 6.52,1157 5.208,1158 5.171,1159 7.555,1160 2.117,1161 18.073,1162 5.119,1163 9.073,1164 1.52,1165 1.553,1166 1.532,1167 1.506,1168 1.5,1169 2.117,1170 0.076,1171 4.274,1172 1.447,1173 4.137,1174 4.174,1175 4.108,1176 4.043,1177 7.429,1178 4.053,1179 3.917,1180 3.937,1181 3.994,1182 3.86,1183 5.067,1184 3.855,1185 3.821,1186 3.857,1187 3.756,1188 3.745,1189 4.929,1190 3.744,1191 3.48,1192 3.532,1193 3.533,1194 3.304,1195 4.725,1196 3.323,1197 3.176,1198 3.198,1199 3.28,1200 3.021,1201 4.367,1202 3.035,1203 2.915,1204 2.979,1205 2.927,1206 2.75,1207 4.266,1208 2.761,1209 2.854,1210 2.925,1211 2.807,1212 2.735,1213 3.954,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.674,1220 2.715,1221 0.165,1222 0.128,1223 0.24,1224 0.148,1225 0.113,1226 4.61,1227 0.163,1228 3.574,1229 0.038,1230 6.718,1231 0.391,1232 4.154,1233 0.111,1234 3.171,1235 4.555,1236 1.058,1237 10.945,1238 3.119,1239 1.959,1240 1.938,1241 2.048,1242 2.048,1243 1.168,1244 2.043,1245 1.897,1246 1.877,1247 1.984,1248 1.978,1249 1.074,1250 1.988,1251 1.805,1252 1.769,1253 1.894,1254 1.931,1255 0.97,1256 1.928,1257 1.421,1258 1.361,1259 1.577,1260 1.643,1261 0.6,1262 1.63,1263 1.222,1264 1.195,1265 1.313,1266 1.444,1267 0.368,1268 1.411,1269 0.945,1270 0.913,1271 1.181,1272 1.107,1273 0.218,1274 1.11,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.886,1282 0.821,1283 1.095,1284 1.062,1285 0.166,1286 1.107,1287 4.043,1289 5.361,1290 2.398,1291 6.876,1292 4.727,1293 8.476,1294 6.843,1295 10.119,1298 5.86,1305 2.88,1314 27.767,1315 61.634,1316 123.137,1317 158.157,1318 183.376,1319 190.131,1320 190.131,1321 33.931,1322 7.456,1323 57.78,1324 57.78,1325 23,1326 12.457,1327 4.585,1328 3.7,1329 35.986,1330 93,1331 97,1332 0.19,1333 173.554,1334 289.48,1335 415.233,1336 17688,1337 2.6,1338 17.225,1339 0.689,1340 0.557,1341 17.725,1342 13.918,1343 12.204,1344 0.436,1345 0.292,1346 7.766,1347 11.635,1348 7.576,1349 6.276,1350 12.492,1351 8.178,1352 10.975,1353 0.281,1354 0.156,1355 11.383,1356 6.086,1357 9.403,1358 0.181,1359 0.081,1360 9.692,1361 4.232,1362 7.797,1363 0.115,1364 0.042,1365 7.964,1366 2.859,1367 6.378,1368 0.074,1369 0.023,1370 6.593,1371 1.951,1372 0.299,1373 78.29,1374 0.228,1375 24.324,1376 0.521,1377 134,1378 376.25,1379 157.285,1380 405.048,1381 550.81,1382 378,1383 158,1384 388.189,1385 175.775,1386 407.805,1387 594.87,1388 385,1389 5.2}
{0 CHEMBL1998953,1 1.374,2 7.667,3 3.541,4 12.539,5 85.813,6 7.138,7 0.667,8 3.774,9 3.906,10 3.333,11 3.344,12 4.78,13 3.314,14 4.325,15 4.514,16 3.674,17 3.761,18 5.26,19 3.699,20 4.575,21 4.817,22 3.695,23 3.868,24 5.391,25 3.769,26 4.555,27 4.803,28 3.675,29 3.824,30 5.42,31 3.73,32 4.505,33 4.734,34 3.645,35 3.809,36 5.399,37 3.719,38 4.524,39 4.764,40 3.522,41 3.76,42 5.414,43 3.652,44 4.434,45 4.706,46 3.161,47 3.593,48 5.228,49 3.429,50 4.224,51 4.528,52 2.617,53 3.32,54 4.878,55 3.082,56 0.034,57 0.612,58 8.368,59 3.367,60 6.462,61 4.751,62 0.185,63 1.017,64 15.739,65 5.856,66 14.233,67 8.364,68 0.135,69 1.201,70 21.375,71 7.862,72 14.972,73 11.576,74 0.241,75 1.19,76 21.234,77 7.387,78 20.476,79 10.897,80 0.154,81 1.147,82 19.734,83 6.832,84 19.402,85 10.114,86 0.207,87 1.16,88 20.485,89 6.446,90 22.633,91 9.709,92 0.185,93 0.988,94 19.285,95 6.509,96 20.568,97 9.733,98 0.123,99 0.728,100 16.029,101 6.132,102 15.351,103 9.032,105 33,106 0.243,107 0.595,108 0.728,109 0.788,110 0.8,111 0.8,112 3.105,113 0.945,114 -5.08,115 -4.98,116 -4.66,119 43.6,121 3,125 2,142 5,143 3,147 1,148 1,151 1,161 1,172 10,174 2,175 5,178 1,180 2,183 10,188 4,193 1,196 7,199 1,200 5,203 2,205 2,208 5,213 7,218 2,221 4,225 8,230 3,233 3,238 4,243 1,246 5,258 6,272 4,276 554,277 14.897,278 14.897,279 14.897,280 14.897,281 14.897,282 13.084,283 9.679,284 9.062,285 15.186,286 11.903,287 11.903,288 11.903,289 11.903,290 11.903,291 9.213,292 13.321,293 4.314,294 12.372,295 3.911,296 1.929,297 1.176,298 0.84,299 0.769,300 0.769,301 3.811,304 1,305 1,306 1,307 359,308 1.732,311 37.446,312 155.521,315 71.402,319 1.111,320 9.298,321 1,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 44,332 161,333 4.695,334 3.356,335 6.984,336 4.252,337 3.282,338 4.642,339 0.8,340 11.903,341 3.189,342 3.99,343 2.869,344 6.104,345 3.658,346 2.703,347 3.537,349 8.832,350 2.586,351 3.716,352 2.445,353 5.639,354 3.35,355 2.398,356 3.049,358 7.399,359 2.275,360 3.245,361 1.835,362 4.722,363 2.757,364 1.796,365 2.598,367 4.819,368 1.73,369 3.02,370 1.763,371 4.424,372 2.734,373 1.763,374 2.109,376 4.285,377 1.706,378 2.804,379 1.357,380 3.864,381 2.289,382 1.34,383 1.939,385 3.007,386 1.268,387 2.5,388 1.28,389 3.554,390 2.171,391 1.212,392 1.5,394 2.827,395 1.158,396 2.5,397 1.077,398 3.485,399 2,400 1,401 1.5,403 2.463,404 1,405 2.374,406 1,407 3.247,408 1.984,409 1,410 1.359,412 2.136,413 0.983,414 2,415 1,416 3.247,417 1.959,418 1,419 1,421 2.136,422 0.957,423 1.978,424 0.614,425 3.245,426 1.51,427 0.577,428 0.797,430 1.476,431 0.537,432 0.901,433 -0.334,434 2.507,435 0.523,436 -0.422,437 -0.501,439 -1.034,440 -0.396,441 0.827,442 -0.593,443 2.347,444 0.376,445 -0.593,446 -0.816,448 -1.407,449 -0.573,450 0.5,451 -0.784,452 2.121,453 0.036,454 -0.929,455 -1,457 -2.139,458 -0.893,459 0.5,460 -0.901,461 2,463 -1,464 -1.1,466 -2.347,467 -0.946,468 10.1,469 0.481,470 0.325,471 0.015,472 28.75,473 1.369,474 14.5,475 0.69,476 14.25,477 0.679,478 15.153,479 0.722,480 21.7,481 0.556,482 17.375,483 0.827,484 5.365,485 0.255,486 5.068,487 0.241,490 0.287,496 0.954,497 1.362,498 0.807,499 1.055,500 0.715,501 0.94,502 0.986,503 0.974,504 0.955,505 0.956,506 0.78,507 0.953,508 0.888,509 1.128,510 0.859,511 0.993,512 0.675,513 0.935,514 0.973,515 0.918,516 0.894,517 0.882,518 0.932,519 0.88,520 1.235,521 1.152,522 1.015,523 1.018,524 1.181,525 0.998,526 1.663,527 1.128,528 1.265,529 1.067,530 1.561,531 1.114,532 1.364,533 0.971,534 1.261,535 1.074,536 1.445,537 1.142,538 0.754,539 0.813,540 1.118,541 1.07,542 1.078,543 1.121,544 2,546 2,547 1.188,548 0.836,549 0.591,550 0.232,551 0.07,552 0.032,553 0.023,554 4251,555 8804,556 2.246,557 46.2,558 2,559 9,560 1,561 1,562 1,564 4,567 1.639,568 2.211,569 2.958,570 -0.338,572 1,574 1,577 53.585,578 1.374,579 3.356,580 4.109,581 4.446,582 4.516,583 4.516,584 2.398,585 3.69,586 4.365,587 3.025,588 635.215,589 7.514,590 6499.94,591 1,592 1,593 1,594 1,595 206.131,596 0.863,597 4.366,598 0.083,600 0.061,601 0.036,602 0.026,603 0.019,604 0.009,605 0.004,606 0.004,607 0.006,608 0.247,609 0.67,610 1,612 92.231,613 0.006,614 -0.208,615 0.079,616 -0.05,617 0.147,618 0.009,619 0.139,620 0.137,621 -0.021,622 0.012,623 0.131,624 -0.016,625 0.037,626 -0.146,627 0.105,628 -0.007,629 0.16,630 0.045,631 0.157,632 0.096,633 0.089,634 0.071,635 0.105,636 0.073,637 -0.121,638 -0.116,639 -0.05,640 -0.062,641 -0.081,642 -0.051,643 -0.333,644 -0.068,645 -0.281,646 -0.151,647 -0.306,648 -0.2,649 -0.279,650 -0.002,651 -0.272,652 -0.126,653 -0.324,654 -0.185,655 -0.087,656 0.031,657 -0.133,658 -0.061,659 -0.203,660 -0.095,661 0.746,662 1.584,663 1,664 12.898,665 0.99,666 1.126,667 3.851,668 14.83,669 0.676,670 3.219,671 3.526,672 3.871,673 4.205,674 4.454,675 4.511,676 4.663,677 4.762,678 4.771,679 4.779,680 4.634,681 0.635,682 278.39,683 3.219,684 4.745,685 5.617,686 6.506,687 7.401,688 8.303,689 9.207,690 10.115,691 11.024,692 11.935,693 10.3,699 1,701 1,703 2,708 2,709 7,710 2,711 1,714 3,716 16,730 1,735 39,737 16,738 1,739 24,741 42,742 17,743 12,744 1,745 5,748 4,749 5,757 3,760 3,762 12,763 5,779 1,780 1,783 18,784 3,785 1,786 4,792 4,797 0.75,810 1,811 1,815 1,816 3,819 1,843 3,851 21,858 5,864 1,881 9.5,882 6.933,883 4.639,884 2.574,886 3.171,887 1.442,888 1.048,889 3.263,890 10.351,891 3.497,892 4.107,893 4.784,894 5.459,895 6.019,896 6.372,897 6.843,898 7.269,899 7.502,900 7.82,901 1,902 33,903 7.756,905 3.304,906 7.421,907 15.399,909 13.06,911 1.921,912 40.333,913 0.001,916 200.109,917 89.85,918 53.481,923 89.85,924 200.109,925 53.481,927 11.815,928 56.429,929 47.057,930 37.473,931 14.099,932 176.567,934 200.109,935 143.331,939 153.024,940 47.084,943 38.934,944 70.825,945 33.571,947 200.109,948 53.481,949 89.85,952 200.109,953 24.802,954 68.172,955 16.786,956 33.571,957 200.109,958 53.481,959 89.85,961 0.568,962 0.344,963 0.207,964 0.117,965 18,966 6,967 0.048,968 2,969 1,970 1.095,971 3.382,972 173.46,973 0.095,974 21,975 84.239,981 12.695,982 5.398,983 2.268,984 2.065,985 36.695,986 14.155,987 8.973,988 3.288,991 3.461,993 16.786,994 343.439,995 32,1007 38.592,1008 43.9,1009 0.26,1010 0.635,1011 0.777,1012 0.841,1013 0.854,1014 0.854,1015 4.71,1016 1,1017 5.572,1018 2.827,1019 4.205,1020 4.792,1021 0.673,1022 6.409,1023 4.13,1024 5.894,1025 1,1026 7.13,1027 2.463,1028 3.611,1029 4.477,1030 0.325,1031 7.383,1032 3.499,1033 7.194,1034 1,1035 8.803,1036 2.136,1037 5.79,1038 7.042,1039 0.379,1040 10.574,1041 5.645,1042 8.541,1043 0.577,1044 10.549,1045 2.136,1046 6.155,1047 7.723,1048 0.268,1049 12.48,1050 5.979,1051 9.932,1052 -0.422,1053 12.345,1054 1.476,1055 7.719,1056 9.668,1057 0.239,1058 15.17,1059 7.513,1060 11.357,1061 -0.593,1062 14.175,1063 -1.034,1064 8.531,1065 10.815,1066 0.188,1067 17.422,1068 8.298,1069 12.806,1070 -0.929,1071 16.028,1072 -1.407,1073 9.848,1074 12.51,1075 0.156,1076 19.961,1077 9.588,1078 3.282,1079 -1,1080 17.899,1081 -2.139,1082 10.865,1083 13.872,1084 0.125,1085 22.347,1086 10.58,1087 2.703,1088 11.903,1089 19.783,1090 -2.347,1091 12.088,1092 15.467,1093 0.102,1094 24.839,1095 11.776,1096 2.398,1097 8.832,1098 21.677,1099 4.642,1100 13.196,1101 16.925,1102 0.082,1103 27.278,1104 12.859,1105 1.796,1106 7.399,1107 23.578,1108 3.537,1109 14.387,1110 18.481,1111 0.066,1112 29.757,1113 14.023,1114 1.763,1115 4.819,1116 25.486,1117 3.049,1118 15.536,1119 19.982,1120 0.054,1121 32.218,1122 15.146,1123 1.34,1124 4.285,1125 27.4,1126 2.598,1127 16.718,1128 21.523,1129 0.043,1130 34.693,1131 16.302,1132 1.212,1133 3.007,1134 29.317,1135 2.109,1136 17.885,1137 23.043,1138 0.035,1139 37.163,1140 17.443,1141 3977,1142 5845,1143 16.989,1144 26.353,1145 36.309,1146 36.092,1147 36.53,1148 36.154,1149 36.14,1150 48.062,1151 1.6,1152 102.564,1153 34.777,1154 5.695,1155 5.356,1156 6.786,1157 5.329,1158 5.282,1159 7.642,1160 1.2,1161 19.288,1162 5.189,1164 1.513,1165 1.504,1166 1.522,1167 1.506,1168 1.506,1169 2.003,1170 0.067,1171 4.273,1172 1.449,1173 4.137,1174 4.178,1175 4.108,1176 4.027,1177 5.118,1178 4.041,1179 3.84,1180 3.89,1181 3.76,1182 3.742,1183 4.74,1184 3.743,1185 3.772,1186 3.829,1187 3.647,1188 3.633,1189 4.453,1190 3.626,1191 3.306,1192 3.385,1193 3.226,1194 3.091,1195 4.271,1196 3.116,1197 3.111,1198 3.206,1199 2.924,1200 2.941,1201 3.885,1202 2.91,1203 3.038,1204 3.125,1205 2.866,1206 2.817,1207 3.674,1208 2.834,1209 2.854,1210 2.925,1211 2.691,1212 2.735,1213 3.562,1214 2.715,1215 2.83,1216 2.905,1217 2.687,1218 2.658,1219 3.474,1220 2.657,1221 0.196,1222 0.14,1223 0.291,1224 0.177,1225 0.137,1226 4.695,1227 0.193,1228 3.356,1229 0.033,1230 6.984,1231 0.496,1232 4.252,1233 0.133,1234 3.282,1235 4.642,1236 0.8,1237 11.903,1238 3.189,1239 1.951,1240 1.925,1241 2.065,1242 2.072,1243 1.401,1244 2.067,1245 1.842,1246 1.789,1247 2.022,1248 1.974,1249 1.144,1250 1.992,1251 1.691,1252 1.638,1253 1.789,1254 1.887,1255 0.889,1256 1.872,1257 1.418,1258 1.36,1259 1.572,1260 1.616,1261 0.825,1262 1.61,1263 1.153,1264 1.064,1265 1.513,1266 1.376,1267 0.593,1268 1.429,1269 0.991,1270 0.906,1271 1.306,1272 1.251,1273 0.559,1274 1.275,1275 0.892,1276 0.821,1277 1.181,1278 1.131,1279 0.218,1280 1.132,1281 0.886,1282 0.808,1283 1.116,1284 1.062,1285 0.121,1286 1.107,1287 3.892,1289 5.198,1290 2.398,1291 6.727,1292 4.727,1293 8.355,1294 6.862,1295 10.036,1303 5.994,1309 2.397,1314 24.773,1315 53.585,1316 130.895,1317 160.256,1318 173.376,1319 176.131,1320 176.131,1321 20.91,1322 7.18,1323 44.81,1324 44.81,1325 23,1326 12.45,1327 4.087,1328 3.17,1329 27.747,1330 56,1331 58,1332 0.242,1333 150.952,1334 246.04,1335 360.083,1336 11868,1338 14.071,1339 0.67,1340 0.568,1341 14.071,1342 11.919,1343 10.433,1344 0.435,1345 0.315,1346 7.479,1347 10.138,1348 7.351,1349 6.088,1350 10.433,1351 7.558,1352 8.97,1353 0.272,1354 0.168,1355 8.97,1356 5.537,1357 8.027,1358 0.171,1359 0.089,1360 8.027,1361 4.19,1362 7.178,1363 0.109,1364 0.048,1365 7.178,1366 3.137,1367 6.018,1368 0.071,1369 0.026,1370 6.018,1371 2.223,1372 0.36,1373 64.533,1374 0.243,1375 20.272,1376 0.73,1377 114,1378 267.268,1379 121.743,1380 267.178,1381 384.57,1382 254,1383 137,1384 299.718,1385 145.826,1386 305.901,1387 453.08,1388 290,1389 6.9}
{0 CHEMBL1999112,1 1.791,2 8.759,3 2.179,4 4.747,5 105.915,6 9.306,7 0.313,8 3.932,9 4.003,10 3.716,11 3.511,12 5.223,13 3.518,14 4.423,15 4.521,16 4.132,17 3.898,18 5.687,19 3.89,20 4.595,21 4.721,22 4.217,23 4.002,24 5.83,25 3.983,26 4.674,27 4.768,28 4.442,29 4.089,30 6.154,31 4.099,32 4.77,33 4.859,34 4.477,35 4.142,36 6.314,37 4.145,38 4.772,39 4.88,40 4.358,41 4.067,42 6.444,43 4.064,44 4.742,45 4.909,46 3.902,47 3.944,48 6.002,49 3.89,50 4.613,51 4.785,52 3.723,53 3.774,54 5.939,55 3.722,56 0.166,57 0.619,58 5.724,59 3.922,60 16.866,61 3.62,62 0.486,63 0.988,64 12.965,65 6.794,66 35.329,67 6.527,68 0.574,69 1.167,70 19.545,71 8.519,72 57.549,73 7.765,74 0.646,75 1.318,76 19.834,77 8.644,78 83.062,79 7.272,80 0.924,81 1.379,82 22.693,83 9.967,84 104.724,85 8.596,86 0.922,87 1.431,88 24.057,89 9.484,90 143.927,91 8.07,92 0.903,93 1.305,94 26.833,95 9.711,96 101.237,97 9.134,98 0.773,99 1.104,100 17.851,101 7.899,102 78.02,103 8.378,104 32,105 46,106 0.304,107 0.73,108 0.84,109 0.879,110 0.894,111 0.894,112 3.41,113 0.891,114 -1.67,115 -1.74,116 -1.77,119 45.5,120 1,122 1,125 1,135 1,136 2,138 1,139 2,142 4,151 2,152 2,158 3,163 1,164 1,165 1,172 4,174 2,175 13,177 1,178 1,180 1,183 5,185 1,188 9,193 1,196 5,198 1,199 3,200 9,202 2,203 2,205 2,208 6,210 2,212 6,213 8,215 1,216 1,218 2,221 5,223 2,224 5,225 11,227 2,228 2,230 1,233 4,235 1,237 1,238 6,240 1,241 1,243 1,246 5,248 1,249 2,250 5,255 2,258 5,260 2,263 2,264 5,272 1,276 1261,277 19.845,278 19.845,279 19.845,280 19.845,281 19.845,282 17.595,283 18.873,284 11.656,285 20.298,286 15.683,287 15.683,288 15.683,289 15.683,290 15.683,291 12.11,292 19.083,293 5.33,294 16.341,295 3.668,296 1.163,297 0.517,298 0.29,299 0.199,300 0.199,301 4.098,305 1,306 1,307 544,308 3.464,311 210.107,312 75.975,315 115.897,319 1.37,320 46.642,323 1,324 1,325 1,326 0.4,328 0.83,329 1,330 0.75,331 64.5,332 254,333 4.751,334 4.724,335 7.266,336 4.422,337 3.466,338 4.197,339 3.151,340 12.935,341 3.327,342 4.249,343 4.14,344 6.635,345 3.933,346 2.963,347 3.704,348 2.278,349 10.524,350 2.852,351 4.055,352 3.775,353 6.19,354 3.574,355 2.604,356 3.478,357 1.674,358 8.863,359 2.533,360 3.949,361 3.436,362 5.8,363 3.55,364 2.561,365 3.413,366 1.248,367 7.868,368 2.515,369 3.785,370 3.344,371 5.394,372 3.325,373 2.337,374 3.202,375 1.197,376 6.824,377 2.302,378 3.369,379 3.074,380 5.174,381 2.843,382 1.894,383 2.391,384 0.437,385 5.874,386 1.781,387 3.179,388 2.579,389 4.854,390 2.714,391 1.784,392 2.184,394 4.984,395 1.634,396 3.024,397 2.461,398 4.383,399 2.333,400 1.357,401 1.821,403 3.609,404 1.309,405 2.795,406 2.087,407 3.782,408 2.13,409 1.16,410 1.605,412 2.597,413 1.116,414 2.477,415 1.812,416 3.599,417 1.99,418 1.056,419 1.315,421 2.279,422 0.965,423 2.296,424 1.58,425 3.414,426 1.853,427 0.897,428 1.141,430 1.859,431 0.844,432 2.118,433 1.232,434 3.099,435 1.622,436 0.649,437 0.927,439 1.372,440 0.626,441 2.118,442 1.152,443 3,444 1.618,445 0.618,446 0.927,448 1.372,449 0.618,450 2.08,451 0.785,452 3,453 1.618,454 0.618,455 0.896,457 1.23,458 0.618,459 1.507,460 0.618,461 2.858,462 0.95,463 0.014,464 0.019,466 0.027,467 0.012,468 13.7,469 0.472,470 0.696,471 0.024,472 37.25,473 1.284,474 18,475 0.621,476 19.25,477 0.664,478 25.58,479 0.882,480 30.1,481 0.684,482 31.258,483 1.078,484 7.503,485 0.259,486 6.559,487 0.226,488 0.144,490 0.394,496 0.825,497 1.095,498 0.659,499 0.911,500 0.605,501 0.798,502 0.852,503 0.97,504 0.742,505 0.891,506 0.559,507 0.805,508 1.13,509 1.003,510 0.935,511 0.908,512 0.888,513 0.782,514 1.023,515 1.084,516 0.931,517 1.123,518 1.286,519 0.851,520 0.985,521 1.127,522 1.065,523 1.145,524 1.359,525 0.91,526 1.086,527 1.276,528 1.332,529 1.293,530 1.059,531 1.101,532 1.244,533 0.923,534 1.402,535 1.077,536 1.207,537 1.152,538 1.044,539 1.063,540 0.981,541 0.998,542 1.102,543 1.281,544 4.5,545 0.054,546 3.111,547 3.042,548 2.542,549 1.914,550 1.104,551 0.578,552 0.291,553 0.105,554 8927,555 30590,556 2.07,557 34.1,559 7,560 2,562 2,563 1,564 3,567 1.731,568 1.912,569 3.066,570 0.296,571 1,572 1,577 78.809,578 1.791,579 4.297,580 4.942,581 5.17,582 5.26,583 5.26,584 2.548,585 4.444,586 4.825,587 3.269,588 1327.14,589 8.473,590 17013.6,592 1,594 1,595 240.215,596 1.487,597 4.777,598 0.141,599 0.004,600 0.068,601 0.062,602 0.044,603 0.031,604 0.02,605 0.016,606 0.01,607 0.006,608 0.401,609 0.33,610 1,611 1.206,612 142.316,613 -0.099,614 -0.056,615 0.041,617 -0.055,618 0.026,619 0.046,620 0.031,621 0.126,622 0.087,623 0.037,624 0.088,625 -0.181,626 0.003,627 0.083,628 0.133,629 -0.091,630 0.164,631 -0.008,632 0.001,633 0.113,634 -0.067,635 -0.082,636 0.008,637 0.153,638 -0.085,639 0.027,640 -0.061,641 -0.015,642 -0.033,643 0.041,644 -0.184,645 -0.223,646 -0.234,647 0.294,648 -0.236,649 -0.206,650 0.058,651 -0.386,652 -0.095,653 -0.183,654 -0.167,655 -0.052,656 -0.156,657 -0.218,658 -0.177,659 -0.106,660 -0.303,661 2.311,662 6.019,663 0.655,664 25.12,665 1.03,666 1.113,667 0.442,668 0.195,669 0.716,670 3.497,671 3.85,672 4.22,673 4.585,674 4.804,675 5.043,676 5.226,677 5.342,678 5.347,679 5.357,680 5.538,681 0.704,682 409.45,683 3.497,684 5.056,685 5.948,686 6.868,687 7.789,688 8.723,689 9.656,690 10.597,691 11.537,692 12.482,693 6.8,694 1,700 1,702 1,709 6,712 2,714 2,716 10,735 44,737 16,739 32,741 47,742 20,743 8,746 6,748 4,749 5,754 1,758 1,761 1,762 16,763 3,764 1,767 5,772 2,774 1,776 7,780 1,782 2,783 15,784 8,785 2,786 9,787 1,792 3,797 0.75,798 5,815 3,816 1,819 1,825 1,830 1,832 1,834 2,835 2,836 1,843 3,844 1,845 1,847 1,851 29,852 1,858 1,861 1,862 1,863 1,864 1,866 1,870 1,872 1,874 11.4,877 2,879 3,881 15.167,882 8.4,883 6.528,884 2.61,886 2.513,887 1.329,888 0.986,889 5.309,890 10.138,891 3.807,892 4.363,893 4.961,894 5.542,895 5.903,896 6.382,897 6.782,898 7.148,899 7.39,900 7.719,901 0.833,902 49,903 10.781,905 4.807,906 8.075,907 19.657,909 16.123,911 2.575,912 74.667,916 153.024,917 167.264,918 67.081,920 80.304,922 32.22,923 135.045,924 233.329,925 67.081,926 8.825,927 40.614,928 70.86,929 80.338,930 70.895,931 34.44,932 161.702,934 153.024,935 202.126,936 80.304,937 32.22,939 117.711,940 115.618,943 80.498,944 110.6,945 11.027,946 32.22,947 153.024,948 147.385,949 167.264,952 153.024,953 70.977,954 82.81,955 16.602,956 144.261,957 153.024,958 147.385,959 167.264,961 0.576,962 0.362,963 0.219,964 0.115,965 23,966 11,967 0.106,968 5,969 1,970 1.105,971 3.789,972 277.686,973 0.105,974 19,975 140.881,977 1,981 19.496,982 7.897,983 3.285,985 147.385,986 9.616,989 10.755,991 0.834,993 32.897,994 467.674,995 44,1000 25.88,1002 1.558,1004 -0.368,1007 45.32,1008 48.953,1009 0.328,1010 0.787,1011 0.905,1012 0.947,1013 0.964,1014 0.964,1015 5.078,1016 1.357,1017 5.953,1018 4.984,1019 4.533,1020 5.05,1021 3.742,1022 6.86,1023 4.458,1024 6.304,1025 1.16,1026 7.568,1027 3.609,1028 4.205,1029 4.82,1030 1.185,1031 7.955,1032 4.102,1033 7.634,1034 1.056,1035 9.29,1036 2.597,1037 6.201,1038 7.202,1039 5.608,1040 11.158,1041 6.057,1042 9.001,1043 0.897,1044 11.075,1045 2.279,1046 6.758,1047 7.844,1048 2.262,1049 13.113,1050 6.579,1051 10.403,1052 0.649,1053 12.902,1054 1.859,1055 8.206,1056 9.626,1057 7.731,1058 15.853,1059 7.989,1060 11.828,1061 0.618,1062 14.758,1063 1.372,1064 9.142,1065 10.656,1066 3.889,1067 18.155,1068 8.882,1069 13.273,1070 0.618,1071 16.634,1072 1.372,1073 10.415,1074 12.203,1075 9.948,1076 20.756,1077 10.116,1078 3.466,1079 0.014,1080 18.526,1081 1.23,1082 11.513,1083 13.42,1084 5.898,1085 23.202,1086 11.168,1087 2.963,1088 12.935,1089 20.431,1090 0.027,1091 12.737,1092 14.874,1093 12.206,1094 25.761,1095 12.351,1096 2.604,1097 10.524,1098 22.347,1099 4.197,1100 13.906,1101 16.184,1102 8.068,1103 28.268,1104 13.474,1105 2.561,1106 8.863,1107 24.271,1108 3.704,1109 15.122,1110 17.602,1111 14.483,1112 30.818,1113 14.648,1114 2.337,1115 7.868,1116 26.203,1117 3.478,1118 16.323,1119 18.961,1120 10.326,1121 33.351,1122 15.805,1123 1.894,1124 6.824,1125 28.141,1126 3.413,1127 17.543,1128 20.37,1129 16.769,1130 35.901,1131 16.983,1132 1.784,1133 5.874,1134 30.084,1135 3.202,1136 18.761,1137 21.755,1138 12.643,1139 38.447,1140 18.157,1141 8677,1142 16213,1143 21.096,1144 31.506,1145 50.253,1146 54.151,1147 50.679,1148 48.01,1149 47.957,1150 62.44,1151 19.972,1152 144.437,1153 46.107,1154 5.655,1155 6.671,1156 7.034,1157 5.566,1158 5.466,1159 6.976,1160 6.301,1161 20.935,1162 5.308,1163 14.935,1164 1.57,1165 1.692,1166 1.584,1167 1.5,1168 1.499,1169 1.951,1170 0.624,1171 4.514,1172 1.441,1173 4.05,1174 4.061,1175 4.158,1176 3.959,1177 7.434,1178 3.957,1179 3.899,1180 3.904,1181 3.869,1182 3.765,1183 7.426,1184 3.779,1185 3.767,1186 3.78,1187 3.772,1188 3.62,1189 6.82,1190 3.632,1191 3.554,1192 3.594,1193 3.538,1194 3.375,1195 5.105,1196 3.362,1197 3.456,1198 3.473,1199 3.465,1200 3.318,1201 5.076,1202 3.338,1203 3.275,1204 3.31,1205 3.153,1206 3.119,1207 5.024,1208 3.121,1209 2.99,1210 3.086,1211 2.98,1212 2.731,1213 4.482,1214 2.769,1215 2.809,1216 2.865,1217 2.847,1218 2.562,1219 4.265,1220 2.587,1221 0.148,1222 0.148,1223 0.227,1224 0.138,1225 0.108,1226 4.751,1227 0.131,1228 4.724,1229 0.098,1230 7.266,1231 0.404,1232 4.422,1233 0.104,1234 3.466,1235 4.197,1236 3.151,1237 12.935,1238 3.327,1239 1.867,1240 1.851,1241 1.912,1242 1.993,1243 1.191,1244 1.969,1245 1.642,1246 1.635,1247 1.798,1248 1.764,1249 0.936,1250 1.764,1251 1.49,1252 1.438,1253 1.722,1254 1.729,1255 0.844,1256 1.733,1257 1.454,1258 1.412,1259 1.629,1260 1.587,1261 0.666,1262 1.603,1263 1.409,1264 1.379,1265 1.558,1266 1.586,1267 0.593,1268 1.585,1269 1.253,1270 1.23,1271 1.375,1272 1.533,1273 0.337,1274 1.481,1275 1.2,1276 1.195,1277 1.255,1278 1.415,1279 0.279,1280 1.377,1281 1.061,1282 1.067,1283 1.137,1284 1.329,1285 0.117,1286 1.269,1287 4.174,1289 5.517,1290 3.434,1291 7.059,1292 5.687,1293 8.709,1294 7.703,1295 10.429,1297 1.677,1301 6.204,1303 0.134,1306 5.222,1307 1.072,1308 -0.872,1309 1.17,1312 9.761,1313 2.024,1314 30.986,1315 78.809,1316 189.054,1317 217.46,1318 227.46,1319 231.46,1320 231.46,1321 70.169,1322 7.626,1323 124.39,1324 152.63,1325 21,1326 12.975,1327 4.087,1328 3.7,1329 44.129,1330 95,1331 101,1332 0.234,1333 192.337,1334 349.74,1335 461.063,1336 17914,1338 20.543,1339 0.708,1340 0.554,1341 20.897,1342 16.064,1343 14.062,1344 0.439,1345 0.297,1346 8.594,1347 12.927,1348 8.374,1349 6.891,1350 14.47,1351 9.5,1352 12.379,1353 0.269,1354 0.154,1355 12.994,1356 7.096,1357 11.063,1358 0.165,1359 0.082,1360 11.892,1361 5.516,1362 9.999,1363 0.103,1364 0.045,1365 11.092,1366 4.342,1367 7.261,1368 0.06,1369 0.024,1370 8.287,1371 2.898,1372 0.348,1373 93.477,1374 0.218,1375 26.587,1376 0.708,1377 156,1378 562.141,1379 202.204,1380 549.421,1381 742.29,1382 512,1383 191,1384 528.676,1385 236.668,1386 541.663,1387 804.07,1388 510,1389 5.1}
{0 CHEMBL1999126,1 1.561,2 10.806,3 4.642,4 21.552,5 116.302,6 8.489,7 0.6,8 4.003,9 4.102,10 3.688,11 3.616,12 5.255,13 3.617,14 4.482,15 4.617,16 4.096,17 4.008,18 5.668,19 4.003,20 4.7,21 4.851,22 4.228,23 4.134,24 5.968,25 4.135,26 4.814,27 4.98,28 4.225,29 4.167,30 6.141,31 4.155,32 4.808,33 4.978,34 4.158,35 4.133,36 6.149,37 4.121,38 4.774,39 4.928,40 4.142,41 4.12,42 6.223,43 4.084,44 4.794,45 4.998,46 3.905,47 4.034,48 6.003,49 3.964,50 4.697,51 4.941,52 3.851,53 3.897,54 5.933,55 3.818,56 0.076,57 0.706,58 7.079,59 3.823,60 11.537,61 4.3,62 0.196,63 1.144,64 13.23,65 6.332,66 15.671,67 7.715,68 0.235,69 1.408,70 17.643,71 7.593,72 30.902,73 8.822,74 0.391,75 1.565,76 21.115,77 8.458,78 48.126,79 9.511,80 0.451,81 1.475,82 22.886,83 8.759,84 82.343,85 9.315,86 0.542,87 1.423,88 20.253,89 8.961,90 90.551,91 10.477,92 0.431,93 1.461,94 23.981,95 9.196,96 74.398,97 10.659,98 0.393,99 1.341,100 24.168,101 9.373,102 70.167,103 12.837,104 27,105 52,106 0.257,107 0.647,108 0.721,109 0.826,110 0.859,111 0.859,112 3.473,113 0.832,114 -4.69,115 -4.61,116 -4.33,119 50,120 2,135 1,136 3,142 9,143 1,144 1,146 2,152 1,153 1,158 2,161 1,166 1,172 12,174 2,175 12,178 1,180 1,183 12,188 17,191 1,193 1,196 7,199 3,200 17,205 4,208 8,213 7,218 3,221 14,224 5,225 11,228 2,230 3,233 17,238 2,246 11,249 4,250 8,253 2,255 1,258 9,264 8,269 2,272 7,276 1521,277 21.129,278 21.129,279 21.129,280 21.129,281 21.129,282 17.992,283 19.468,284 12.091,285 21.4,286 17.168,287 17.168,288 17.168,289 17.168,290 17.168,291 12.314,292 21.615,293 5.606,294 17.647,295 4.024,296 1.651,297 1.201,298 0.565,299 0.365,300 0.365,301 4.177,305 1,306 1,307 745,308 2.915,311 123.682,312 232.72,315 203.157,319 1.49,320 36.112,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 66.5,332 335,333 4.818,334 4.099,335 7.153,336 4.386,337 3.421,338 4.686,339 2.035,340 12.48,341 3.306,342 4.581,343 3.749,344 6.777,345 4.157,346 3.205,347 4.335,348 0.98,349 11.044,350 3.051,351 4.295,352 3.353,353 6.414,354 3.813,355 2.831,356 3.899,358 9.748,359 2.772,360 3.957,361 2.983,362 6.041,363 3.528,364 2.546,365 3.458,367 8.48,368 2.498,369 3.819,370 2.828,371 5.89,372 3.38,373 2.385,374 3.14,376 7.941,377 2.366,378 3.506,379 2.643,380 5.585,381 3.051,382 2.082,383 2.867,385 6.866,386 2.012,387 3.236,388 2.182,389 4.903,390 2.77,391 1.811,392 2.474,394 4.985,395 1.736,396 3.207,397 2.074,398 4.655,399 2.558,400 1.597,401 2.314,403 4.493,404 1.527,405 3.018,406 1.726,407 4.465,408 2.497,409 1.528,410 2.095,412 4.199,413 1.476,414 2.944,415 1.659,416 3.978,417 2.33,418 1.333,419 1.948,421 2.966,422 1.326,423 2.818,424 1.507,425 3.712,426 2.135,427 1.149,428 1.647,430 2.805,431 1.13,432 2.624,433 1.297,434 3.587,435 2,436 1,437 1.511,439 2.249,440 1,441 2.5,442 1.091,443 3.53,444 1.921,445 0.95,446 1.5,448 2.136,449 0.917,450 2.317,451 1,452 3.247,453 1.646,454 0.668,455 0.985,457 1.638,458 0.651,459 1.948,460 0.835,461 3.218,462 1.37,463 0.384,464 0.566,466 0.978,467 0.374,468 14.667,469 0.473,470 0.837,471 0.027,472 46.25,473 1.492,474 26,475 0.839,476 20.25,477 0.653,478 23.776,479 0.767,480 30.333,481 0.632,482 37.648,483 1.214,484 9.19,485 0.296,486 5.817,487 0.188,488 0.141,490 0.43,496 0.74,497 1.094,498 0.665,499 0.899,500 0.64,501 0.799,502 0.539,503 1.139,504 0.616,505 0.911,506 0.511,507 0.804,508 0.993,509 1.182,510 0.801,511 0.975,512 0.765,513 0.868,514 1.252,515 1.025,516 1.033,517 0.999,518 1.083,519 0.971,520 1.731,521 0.893,522 1.099,523 0.843,524 1.76,525 0.859,526 0.941,527 1.056,528 1.059,529 1.169,530 1.107,531 1.158,532 1.436,533 1.056,534 1.291,535 1.069,536 1.432,537 1.142,538 0.504,539 0.898,540 0.77,541 0.976,542 0.634,543 0.936,544 5,545 0.164,546 4.222,547 3.618,548 2.53,549 1.608,550 0.853,551 0.698,552 0.426,553 0.258,554 12180,555 34130,556 2.12,557 35.4,558 3,559 10,562 1,563 3,567 1.742,568 1.958,569 3.355,570 -0.361,577 74.943,578 1.561,579 3.934,580 4.384,581 5.02,582 5.22,583 5.22,584 2.776,585 4.736,586 4.927,587 3.51,588 1632.36,589 8.634,590 21956.3,592 1,595 268.078,596 1.476,597 4.875,598 0.143,599 0.007,600 0.081,601 0.062,602 0.045,603 0.03,604 0.017,605 0.018,606 0.012,607 0.009,608 0.424,609 0.33,610 0.88,611 0.744,612 157.524,613 -0.013,614 -0.06,615 0.04,616 0.002,617 -0.065,618 0.018,619 0.196,620 -0.105,621 0.181,622 0.008,623 0.022,624 0.068,625 -0.031,626 -0.137,627 0.06,628 -0.061,629 0.022,630 0.005,631 -0.098,632 0.022,633 -0.114,634 -0.081,635 -0.008,636 -0.089,637 -0.328,638 0.102,639 -0.122,640 0.111,641 -0.234,642 0.052,643 0.27,644 -0.093,645 -0.13,646 -0.206,647 0.195,648 -0.239,649 -0.275,650 -0.085,651 -0.262,652 -0.085,653 -0.231,654 -0.156,655 0.339,656 0.038,657 0.338,658 0.061,659 0.256,660 0.164,661 1.966,662 6.47,663 0.774,664 26.006,665 1.01,666 1.113,667 3.461,668 11.975,669 0.719,670 3.584,671 3.97,672 4.357,673 4.7,674 4.963,675 5.124,676 5.283,677 5.464,678 5.541,679 5.628,680 6.246,681 0.702,682 407.46,683 3.584,684 5.165,685 6.071,686 6.995,687 7.92,688 8.852,689 9.784,690 10.72,691 11.655,692 12.593,693 10.4,701 2,702 1,703 2,708 2,709 9,710 2,714 5,715 2,716 21,732 1,735 48,737 25,738 2,739 35,741 52,742 24,743 16,744 3,745 9,746 5,748 5,749 8,754 2,761 1,762 21,763 2,767 3,772 1,774 1,776 4,780 1,783 17,784 5,785 1,786 7,789 1,792 5,797 0.6,798 2,807 1,815 2,816 3,819 2,825 1,834 1,835 3,843 3,847 2,851 31,857 1,866 1,870 1,872 1,874 4.2,876 1,877 1,881 15.833,882 9.7,883 6.75,884 2.859,886 5.104,887 1.613,888 1.019,889 4.357,890 13.433,891 3.942,892 4.615,893 5.334,894 6.008,895 6.568,896 7.027,897 7.521,898 8.014,899 8.377,900 8.801,901 1,902 58,903 11.471,905 5.106,906 7.882,907 21.402,909 17.927,911 2.382,912 73.833,915 1,916 188.338,917 158.591,918 68.184,920 67.828,923 158.591,924 256.166,925 68.184,926 17.65,928 94.762,929 124.911,930 55.135,931 2.144,932 188.338,934 188.338,935 226.775,936 67.828,939 188.338,940 67.828,943 59.614,944 124.236,945 42.925,947 188.338,948 136.012,949 158.591,952 188.338,953 29.577,954 116.089,955 16.602,956 132.336,957 188.338,958 136.012,959 158.591,961 0.592,962 0.376,963 0.219,964 0.12,965 28,966 13,967 0.038,968 2,969 2,970 1.167,971 4.036,972 309.392,973 0.167,974 24,975 149.58,981 19.054,982 7.088,983 2.828,984 1.276,985 132.336,986 16.517,987 8.925,991 1.961,992 2.887,993 42.683,994 482.941,995 50.5,1000 13.47,1002 1.601,1004 0.862,1007 48.465,1008 53.402,1009 0.28,1010 0.704,1011 0.785,1012 0.899,1013 0.935,1014 0.935,1015 5.211,1016 1.597,1017 6.089,1018 4.985,1019 4.654,1020 5.303,1021 2.416,1022 7.004,1023 4.596,1024 6.475,1025 1.528,1026 7.715,1027 4.493,1028 4.369,1029 5.215,1031 8.091,1032 4.27,1033 7.826,1034 1.333,1035 9.443,1036 4.199,1037 6.344,1038 7.625,1039 3.614,1040 11.275,1041 6.22,1042 9.216,1043 1.149,1044 11.231,1045 2.966,1046 6.909,1047 8.402,1049 13.186,1050 6.736,1051 10.64,1052 1,1053 13.055,1054 2.805,1055 8.366,1056 10.261,1057 4.975,1058 15.9,1059 8.167,1060 12.089,1061 0.95,1062 14.905,1063 2.249,1064 9.297,1065 11.437,1067 18.142,1068 9.049,1069 13.558,1070 0.668,1071 16.772,1072 2.136,1073 10.575,1074 13.08,1075 6.381,1076 20.705,1077 10.296,1078 3.421,1079 0.384,1080 18.653,1081 1.638,1082 11.662,1083 14.442,1085 23.09,1086 11.337,1087 3.205,1088 12.48,1089 20.544,1090 0.978,1091 12.881,1092 16.002,1093 7.798,1094 25.605,1095 12.522,1096 2.831,1097 11.044,1098 22.444,1099 4.686,1100 14.035,1101 17.449,1103 28.054,1104 13.632,1105 2.546,1106 9.748,1107 24.35,1108 4.335,1109 15.238,1110 18.979,1111 9.218,1112 30.557,1113 14.799,1114 2.385,1115 8.48,1116 26.263,1117 3.899,1118 16.421,1119 20.466,1121 33.036,1122 15.942,1123 2.082,1124 7.941,1125 28.181,1126 3.458,1127 17.623,1128 21.988,1129 10.638,1130 35.538,1131 17.108,1132 1.811,1133 6.866,1134 30.103,1135 3.14,1136 18.82,1137 23.494,1139 38.033,1140 18.266,1141 11360,1142 19182,1143 23.293,1144 34.506,1145 55.961,1146 58.382,1147 57.17,1148 53.852,1149 53.776,1150 74.852,1151 6.029,1152 166.016,1153 52.281,1154 5.676,1155 6.099,1156 6.955,1157 5.437,1158 5.421,1159 7.686,1160 4.069,1161 20.48,1162 5.306,1163 15.522,1164 1.599,1165 1.668,1166 1.633,1167 1.539,1168 1.536,1169 2.139,1170 0.172,1171 4.743,1172 1.494,1173 4.171,1174 4.205,1175 4.154,1176 4.052,1177 7.428,1178 4.072,1179 4.021,1180 4.063,1181 3.992,1182 3.894,1183 6.82,1184 3.909,1185 3.8,1186 3.827,1187 3.74,1188 3.743,1189 6.471,1190 3.739,1191 3.689,1192 3.724,1193 3.634,1194 3.588,1195 5.008,1196 3.597,1197 3.305,1198 3.352,1199 3.274,1200 3.117,1201 4.888,1202 3.148,1203 3.242,1204 3.289,1205 3.162,1206 3.095,1207 4.631,1208 3.106,1209 3.109,1210 3.197,1211 2.919,1212 2.895,1213 4.411,1214 2.89,1215 3.009,1216 3.093,1217 2.883,1218 2.798,1219 4.172,1220 2.803,1221 0.138,1222 0.117,1223 0.204,1224 0.125,1225 0.098,1226 4.818,1227 0.134,1228 4.099,1229 0.058,1230 7.153,1231 0.357,1232 4.386,1233 0.094,1234 3.421,1235 4.686,1236 2.035,1237 12.48,1238 3.306,1239 1.946,1240 1.923,1241 2.023,1242 2.058,1243 1.166,1244 2.044,1245 1.898,1246 1.867,1247 2.013,1248 2.009,1249 1.083,1250 2.009,1251 1.854,1252 1.831,1253 1.94,1254 1.946,1255 1.058,1256 1.946,1257 1.577,1258 1.545,1259 1.746,1260 1.714,1261 0.861,1262 1.723,1263 1.313,1264 1.248,1265 1.505,1266 1.588,1267 0.569,1268 1.546,1269 1.228,1270 1.168,1271 1.428,1272 1.477,1273 0.502,1274 1.481,1275 1.13,1276 1.087,1277 1.245,1278 1.336,1279 0.3,1280 1.313,1281 0.957,1282 0.883,1283 1.181,1284 1.197,1285 0.218,1286 1.197,1287 4.263,1289 5.631,1290 3.045,1291 7.207,1292 5.533,1293 8.878,1294 7.735,1295 10.602,1297 3.486,1302 10.861,1312 9.8,1313 2.187,1314 33.697,1315 74.943,1316 188.82,1317 210.429,1318 240.959,1319 250.568,1320 250.568,1321 58.837,1322 8.33,1323 96.21,1324 96.21,1325 28,1326 13.09,1327 4.7,1328 4.044,1329 43.446,1330 115,1331 127,1332 0.185,1333 205,1334 353.98,1335 491.96,1336 49211,1338 21.698,1339 0.7,1340 0.544,1341 21.698,1342 16.865,1343 15.007,1344 0.429,1345 0.277,1346 9.596,1347 14.54,1348 9.319,1349 7.74,1350 15.007,1351 9.706,1352 13.673,1353 0.263,1354 0.14,1355 13.673,1356 7.305,1357 12.711,1358 0.165,1359 0.071,1360 12.711,1361 5.479,1362 11.275,1363 0.103,1364 0.036,1365 11.275,1366 3.876,1367 9.102,1368 0.064,1369 0.018,1370 9.102,1371 2.625,1372 0.283,1373 93.406,1374 0.207,1375 28.454,1376 0.53,1377 174,1378 508.111,1379 189.114,1380 504.121,1381 704.52,1382 470,1383 216,1384 542.988,1385 233.501,1386 551.133,1387 818.1,1388 520,1389 5.1}
{0 CHEMBL1999321,1 1.538,2 14,3 2.579,4 6.652,5 112.669,6 8.03,7 0.563,8 3.979,9 4.081,10 3.61,11 3.57,12 5.169,13 3.563,14 4.433,15 4.57,16 3.9,17 3.88,18 5.61,19 3.859,20 4.679,21 4.87,22 3.908,23 3.94,24 5.898,25 3.886,26 4.635,27 4.843,28 3.742,29 3.883,30 5.697,31 3.799,32 4.601,33 4.807,34 3.766,35 3.886,36 5.701,37 3.816,38 4.599,39 4.789,40 3.759,41 3.854,42 5.788,43 3.797,44 4.533,45 4.731,46 3.66,47 3.754,48 5.754,49 3.686,50 4.395,51 4.598,52 3.487,53 3.619,54 5.57,55 3.54,56 0.046,57 0.662,58 8.16,59 4.116,60 7.779,61 4.87,62 0.096,63 1.025,64 14.313,65 6.534,66 15.942,67 7.893,68 0.47,69 1.255,70 22.206,71 8.556,72 63.723,73 10.803,74 0.391,75 1.184,76 21.957,77 8.619,78 45.053,79 11.055,80 0.268,81 1.146,82 21.011,83 8.333,84 45.687,85 10.611,86 0.322,87 1.13,88 20.757,89 7.975,90 52.557,91 9.647,92 0.403,93 1.039,94 20.031,95 7.729,96 57.379,97 9.548,98 0.269,99 0.91,100 17.235,101 6.761,102 45.239,103 8.521,104 5,105 43,106 0.257,107 0.564,108 0.695,109 0.799,110 0.837,111 0.837,112 3.407,113 0.869,114 -2.87,115 -2.88,116 -2.79,119 47.9,121 1,125 1,138 2,142 11,143 1,144 3,145 2,156 2,172 9,175 6,180 3,183 11,187 1,188 4,191 2,192 1,193 1,196 6,200 2,203 3,205 2,208 4,213 4,218 5,221 8,225 4,230 1,233 8,237 1,238 3,241 2,243 2,246 8,249 1,250 4,255 2,258 5,264 3,269 2,272 5,276 1432,277 19.982,278 19.982,279 19.982,280 19.982,281 19.982,282 17.327,283 22.114,284 12.117,285 20.241,286 15.818,287 15.818,288 15.818,289 15.818,290 15.818,291 11.821,292 30.939,293 5.818,294 16.221,295 4.047,296 2.212,297 1.434,298 0.807,299 0.583,300 0.583,301 4.106,305 1,306 1,307 888,308 3,310 80.56,312 325.73,319 2.138,320 28.006,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 62.5,332 406,333 4.65,334 3.966,335 6.95,336 4.304,337 3.296,338 4.157,339 0.86,340 11.62,341 3.322,342 4.087,343 3.074,344 5.616,345 3.68,346 2.726,347 3.676,348 0.4,349 7.788,350 2.618,351 3.881,352 2.847,353 5.41,354 3.463,355 2.492,356 3.428,357 0.4,358 7.098,359 2.416,360 3.858,361 2.721,362 5.331,363 3.445,364 2.471,365 3.409,367 6.949,368 2.387,369 3.438,370 2.676,371 4.966,372 3.063,373 2.09,374 2.738,376 5.87,377 2.024,378 3.096,379 2.327,380 4.933,381 2.672,382 1.69,383 2.193,385 4.877,386 1.65,387 2.96,388 2.25,389 4.822,390 2.581,391 1.607,392 2.044,394 4.497,395 1.558,396 2.866,397 1.678,398 3.612,399 2.401,400 1.421,401 2.016,403 3.047,404 1.386,405 2.77,406 1.527,407 3.595,408 2.261,409 1.28,410 1.748,412 2.972,413 1.243,414 2.5,415 1.377,416 3.477,417 2.025,418 1.024,419 1.5,421 2.383,422 1.018,423 2.5,424 1,425 3.414,426 2,427 1,428 1.5,430 2.275,431 1,432 2.5,433 1,434 3.247,435 2,436 1,437 1.5,439 2.136,440 1,441 2.301,442 1,443 3.247,444 1.984,445 1,446 1.206,448 2.136,449 0.983,450 1.662,451 0.894,452 2.967,453 1.319,454 0.319,455 0.398,457 0.769,458 0.313,459 1.387,460 0.493,461 2.808,462 1.038,463 0.083,464 0.104,466 0.207,467 0.079,468 13.7,469 0.472,470 0.554,471 0.019,472 42,473 1.448,474 23.5,475 0.81,476 18.5,477 0.638,478 18.709,479 0.645,480 29.5,481 0.615,482 30.469,483 1.051,484 8.617,485 0.297,486 5.586,487 0.193,488 0.049,490 0.292,496 0.736,497 1.123,498 0.716,499 0.951,500 0.561,501 0.844,502 0.879,503 1.289,504 0.899,505 1.168,506 0.665,507 1.054,508 0.919,509 0.999,510 0.99,511 1.01,512 0.576,513 1.01,514 0.916,515 0.938,516 1.047,517 1.007,518 0.788,519 1.048,520 0.99,521 0.964,522 0.967,523 0.956,524 1.107,525 0.956,526 1.331,527 1.005,528 1.118,529 0.998,530 1.484,531 1.016,532 1.178,533 0.914,534 1.077,535 0.99,536 1.475,537 1.023,538 1.078,539 1.04,540 1.088,541 1.084,542 1.265,543 1.093,544 4.5,545 0.07,546 2.444,547 2,548 1.267,549 0.66,550 0.587,551 0.375,552 0.221,553 0.132,554 13230,555 37350,556 2.132,557 39.6,559 13,561 2,562 2,564 2,567 1.713,568 2.047,569 3.759,570 0.194,571 1,572 1,577 73.816,578 1.538,579 3.373,580 4.151,581 4.778,582 5.002,583 5.002,584 3.237,585 4.211,586 4.829,587 3.94,588 1599.73,589 8.375,590 23482.9,592 1,594 1,595 268.078,596 1.178,597 4.812,598 0.141,599 0.003,600 0.06,601 0.051,602 0.038,603 0.019,604 0.017,605 0.013,606 0.009,607 0.006,608 0.357,609 0.33,610 1,611 0.434,612 152.106,613 -0.055,614 -0.047,615 0.035,616 0.001,617 -0.05,618 0.031,619 -0.055,620 -0.24,621 -0.063,622 -0.219,623 -0.024,624 -0.154,625 0.14,626 0.006,627 -0.011,628 -0.049,629 0.21,630 -0.057,631 0.032,632 0.031,633 -0.056,634 -0.022,635 -0.003,636 -0.054,637 -0.09,638 0.004,639 0.012,640 0.034,641 -0.078,642 0.042,643 -0.197,644 -0.028,645 -0.13,646 -0.026,647 -0.164,648 -0.057,649 -0.004,650 0.037,651 -0.062,652 -0.005,653 -0.068,654 -0.045,655 -0.044,656 -0.089,657 -0.086,658 -0.096,659 -0.028,660 -0.1,661 2.174,662 4.884,663 0.759,664 33.66,665 1.007,666 1.113,667 1.643,668 2.698,669 0.697,670 3.497,671 3.784,672 4.043,673 4.22,674 4.382,675 4.331,676 4.443,677 4.543,678 4.585,679 4.615,680 8.14,681 0.675,682 385.45,683 3.497,684 5.017,685 5.855,686 6.713,687 7.568,688 8.434,689 9.298,690 10.17,691 11.041,692 11.918,693 6.3,695 1,698 1,703 1,709 13,710 1,714 4,716 18,728 1,733 1,735 48,737 21,738 2,739 32,741 51,742 23,743 17,744 3,745 9,746 4,748 4,749 4,760 1,762 21,763 2,767 3,772 2,776 4,780 1,783 19,784 6,785 2,786 6,792 3,797 1,798 3,809 1,814 1,816 3,827 2,834 2,838 1,843 4,851 29,858 2,860 2,861 1,874 6.3,877 2,879 1,881 14.167,882 8.533,883 6.444,884 2.793,886 3.317,887 1.44,888 1.009,889 5.686,890 10.852,891 3.807,892 4.363,893 4.903,894 5.348,895 5.793,896 5.735,897 6.072,898 6.462,899 6.751,900 6.981,901 1,902 39,903 10.704,905 4.576,906 7.839,907 20.155,909 16.297,911 2.339,912 67.833,915 1,916 200.109,917 159.183,918 52.807,920 61.29,923 159.183,924 261.398,925 52.807,927 4.64,928 122.249,929 124.409,930 45.524,932 176.567,934 200.109,935 211.99,936 61.29,939 176.567,940 84.832,943 40.746,944 130.935,945 40.31,947 200.109,948 114.097,949 159.183,952 200.109,953 36.85,954 122.334,955 36.022,956 78.075,957 200.109,958 114.097,959 159.183,961 0.571,962 0.333,963 0.174,964 0.092,965 20,966 8,967 0.157,968 8,970 1,971 4.361,972 237.984,974 22,975 128.881,981 18.913,982 8.718,983 4.529,985 114.097,986 24.097,987 3.93,991 3.361,993 36.022,994 473.389,995 44,1000 23.742,1004 -0.372,1007 48.356,1008 53.445,1009 0.275,1010 0.604,1011 0.743,1012 0.855,1013 0.896,1014 0.896,1015 5.014,1016 1.421,1017 5.808,1018 4.497,1019 4.466,1020 5.05,1021 1.138,1022 6.575,1023 4.423,1024 6.2,1025 1.28,1026 7.335,1027 3.047,1028 3.892,1029 4.635,1031 7.383,1032 3.854,1033 7.491,1034 1.024,1035 8.967,1036 2.972,1037 6.028,1038 7.181,1039 0.787,1040 10.568,1041 5.954,1042 8.821,1043 1,1044 10.666,1045 2.383,1046 6.365,1047 7.625,1049 12.328,1050 6.321,1051 10.189,1052 1,1053 12.413,1054 2.275,1055 7.913,1056 9.59,1057 0.602,1058 15.039,1059 7.84,1060 11.585,1061 1,1062 14.196,1063 2.136,1064 8.689,1065 10.452,1067 17.2,1068 8.655,1069 13.005,1070 0.319,1071 16.009,1072 2.136,1073 9.998,1074 12.148,1075 0.471,1076 19.758,1077 9.951,1078 3.296,1079 0.083,1080 17.846,1081 0.769,1082 10.989,1083 13.237,1085 22.086,1086 10.977,1087 2.726,1088 11.62,1089 19.702,1090 0.207,1091 12.206,1092 14.795,1093 0.367,1094 24.585,1095 12.195,1096 2.492,1097 7.788,1098 21.575,1099 4.157,1100 13.299,1101 16.015,1103 26.983,1104 13.316,1105 2.471,1106 7.098,1107 23.461,1108 3.676,1109 14.486,1110 17.499,1111 0.283,1112 29.458,1113 14.512,1114 2.09,1115 6.949,1116 25.358,1117 3.428,1118 15.628,1119 18.797,1121 31.886,1122 15.674,1123 1.69,1124 5.87,1125 27.264,1126 3.409,1127 16.808,1128 20.243,1129 0.217,1130 34.349,1131 16.867,1132 1.607,1133 4.877,1134 29.176,1135 2.738,1136 17.973,1137 21.588,1139 36.791,1140 18.048,1141 12360,1142 20938,1143 21.959,1144 33.472,1145 47.661,1146 49.411,1147 48.167,1148 47.035,1149 46.996,1150 63.232,1151 3.32,1152 129.246,1153 45.992,1154 5.602,1155 5.966,1156 6.752,1157 5.357,1158 5.296,1159 7.157,1160 1.72,1161 19.62,1162 5.322,1163 10.006,1164 1.489,1165 1.544,1166 1.505,1167 1.47,1168 1.469,1169 1.976,1170 0.104,1171 4.039,1172 1.437,1173 4.005,1174 4.032,1175 3.967,1176 3.903,1177 7.501,1178 3.909,1179 3.932,1180 3.953,1181 3.886,1182 3.821,1183 7.349,1184 3.838,1185 3.836,1186 3.87,1187 3.762,1188 3.776,1189 4.945,1190 3.768,1191 3.787,1192 3.815,1193 3.737,1194 3.667,1195 4.909,1196 3.682,1197 3.412,1198 3.474,1199 3.275,1200 3.245,1201 4.675,1202 3.241,1203 2.974,1204 3.011,1205 2.885,1206 2.779,1207 4.414,1208 2.795,1209 2.917,1210 2.992,1211 2.841,1212 2.735,1213 4.193,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 4.002,1220 2.715,1221 0.145,1222 0.124,1223 0.217,1224 0.135,1225 0.103,1226 4.65,1227 0.13,1228 3.966,1229 0.027,1230 6.95,1231 0.363,1232 4.304,1233 0.104,1234 3.296,1235 4.157,1236 0.86,1237 11.62,1238 3.322,1239 1.937,1240 1.914,1241 2.052,1242 2.06,1243 1.236,1244 2.05,1245 1.883,1246 1.86,1247 1.986,1248 2.016,1249 1.044,1250 2.007,1251 1.843,1252 1.814,1253 1.955,1254 1.935,1255 1.013,1256 1.95,1257 1.736,1258 1.712,1259 1.816,1260 1.88,1261 0.901,1262 1.865,1263 1.394,1264 1.334,1265 1.62,1266 1.599,1267 0.781,1268 1.61,1269 0.905,1270 0.868,1271 1.181,1272 1.144,1273 0.233,1274 1.134,1275 0.886,1276 0.821,1277 1.181,1278 1.124,1279 0.218,1280 1.107,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.174,1289 5.501,1291 7.043,1293 8.673,1295 10.348,1303 1.244,1305 6.051,1306 5.781,1314 32.423,1315 73.816,1316 161.919,1317 199.27,1318 229.323,1319 240.078,1320 240.078,1321 50.502,1322 7.535,1323 80.32,1324 80.32,1325 22,1326 12.458,1327 4.459,1328 3.7,1329 45.078,1330 144,1331 132,1332 0.15,1333 199.064,1334 352.01,1335 477.475,1336 22228,1338 20.054,1339 0.692,1340 0.538,1341 20.054,1342 15.592,1343 14.204,1344 0.444,1345 0.29,1346 9.156,1347 13.745,1348 8.997,1349 7.46,1350 14.204,1351 9.266,1352 12.343,1353 0.287,1354 0.151,1355 12.343,1356 6.505,1357 10.568,1358 0.189,1359 0.08,1360 10.568,1361 4.478,1362 8.27,1363 0.123,1364 0.043,1365 8.27,1366 2.877,1367 6.546,1368 0.083,1369 0.024,1370 6.546,1371 1.872,1372 0.245,1373 88.555,1374 0.213,1375 28.48,1376 0.382,1377 150,1378 461.517,1379 163.577,1380 446.633,1381 609.04,1382 418,1383 174,1384 446.602,1385 188.549,1386 450.828,1387 656.38,1388 426,1389 5.1}
{0 CHEMBL1999414,1 1.568,2 16.658,3 4.138,4 17.123,5 156.668,6 7.372,7 0.537,8 4.35,9 4.484,10 3.93,11 3.911,12 5.441,13 3.862,14 4.869,15 5.058,16 4.275,17 4.295,18 5.93,19 4.215,20 5.11,21 5.327,22 4.359,23 4.437,24 6.114,25 4.34,26 5.209,27 5.432,28 4.441,29 4.473,30 6.271,31 4.358,32 5.246,33 5.495,34 4.27,35 4.42,36 6.259,37 4.284,38 5.14,39 5.397,40 4.175,41 4.303,42 6.189,43 4.18,44 5.013,45 5.245,46 4.105,47 4.238,48 6.057,49 4.134,50 4.972,51 5.194,52 4.109,53 4.225,54 6.052,55 4.115,56 0.062,57 1.089,58 15.83,59 6.52,60 12.026,61 8.728,62 0.366,63 1.711,64 29.792,65 11.203,66 34.921,67 15.183,68 0.322,69 2.059,70 38.622,71 13.721,72 42.787,73 18.776,74 0.447,75 2.22,76 46.556,77 15.674,78 62.207,79 21.409,80 0.415,81 2.177,82 50.283,83 16.752,84 71.3,85 22.269,86 0.55,87 1.961,88 44.875,89 14.376,90 82.018,91 19.555,92 0.409,93 1.784,94 37.329,95 11.882,96 61.34,97 16.38,98 0.381,99 1.705,100 36.461,101 12.669,102 59.507,103 16.797,104 47,105 56,106 0.243,107 0.589,108 0.764,109 0.837,110 0.847,111 0.851,112 3.667,113 1.001,114 -4.61,115 -4.53,116 -4.27,119 40.3,120 3,121 1,125 4,142 8,143 5,144 2,145 1,147 1,151 1,152 1,158 1,159 1,163 1,164 1,165 1,172 11,175 6,177 1,178 4,179 1,180 7,183 17,185 1,188 1,193 5,196 11,198 1,199 1,200 9,203 2,205 12,208 10,210 3,213 7,218 8,221 4,223 2,224 1,225 8,227 1,228 1,229 1,230 9,232 1,233 8,235 2,238 3,243 4,246 9,249 1,250 7,253 1,254 1,255 5,257 1,258 13,260 1,264 2,269 1,272 10,276 3292,277 25.739,278 25.739,279 25.739,280 25.739,281 25.739,282 22.862,283 31.347,284 15.207,285 26.306,286 20.097,287 20.097,288 20.097,289 20.097,290 20.097,291 15.688,292 41.463,293 7.053,294 20.894,295 4.602,296 2.365,297 1.236,298 0.764,299 0.698,300 0.67,301 4.36,306 1,307 1334,308 4.637,311 94.714,312 390.217,315 179.711,319 3.061,320 33.531,323 0.75,324 0.67,325 0.67,326 0.7,327 0.5,328 0.67,329 0.5,330 0.64,331 81,332 633,333 4.742,334 3.605,335 7.007,336 4.276,337 3.308,338 4.717,339 1.656,340 11.945,341 3.202,342 4.166,343 3.563,344 6.288,345 3.799,346 2.807,347 3.753,348 1.058,349 9.362,350 2.783,351 4.074,352 3.212,353 5.724,354 3.696,355 2.718,356 3.66,357 0.8,358 7.836,359 2.654,360 3.921,361 2.782,362 5.611,363 3.532,364 2.549,365 3.382,366 0.247,367 7.515,368 2.5,369 3.677,370 2.744,371 5.385,372 3.366,373 2.445,374 2.994,376 6.999,377 2.275,378 3.466,379 2.656,380 5.271,381 3.304,382 2.325,383 2.778,385 6.643,386 2.242,387 3.446,388 2.343,389 4.987,390 3.068,391 2.092,392 2.617,394 5.71,395 2.036,396 3.329,397 2.144,398 4.9,399 2.833,400 1.927,401 2.445,403 5.416,404 1.746,405 3.153,406 2.136,407 4.549,408 2.736,409 1.741,410 2.344,412 4.681,413 1.708,414 2.958,415 1.723,416 4.42,417 2.561,418 1.597,419 2.086,421 4.157,422 1.531,423 2.658,424 1.686,425 4.02,426 2.274,427 1.279,428 1.73,430 3.1,431 1.262,432 2.56,433 1.24,434 3.647,435 2.179,436 1.181,437 1.586,439 2.674,440 1.178,441 2.5,442 1.112,443 3.479,444 2.011,445 1.065,446 1.5,448 2.585,449 1,450 2.449,451 1,452 3.442,453 2,454 1,455 1.425,457 2.275,458 0.998,459 2.218,460 0.897,461 3.414,462 1.629,463 0.788,464 1.088,466 2.008,467 0.645,468 18.4,469 0.484,470 0.869,471 0.023,472 48.5,473 1.276,474 24.5,475 0.645,476 24,477 0.632,478 36.034,479 0.948,480 41,481 0.569,482 40.035,483 1.054,484 9.39,485 0.247,486 8.999,487 0.237,488 0.139,490 0.321,496 0.844,497 1.254,498 0.82,499 0.974,500 0.675,501 0.945,502 0.638,503 1,504 0.867,505 0.923,506 0.48,507 0.911,508 1.095,509 1.009,510 0.894,511 0.881,512 0.901,513 0.917,514 0.901,515 1.15,516 0.946,517 1.125,518 0.964,519 1.035,520 1.185,521 1.08,522 1.102,523 1.081,524 1.219,525 0.981,526 1.138,527 0.924,528 1.014,529 0.914,530 1.157,531 0.861,532 1.415,533 0.982,534 1.066,535 0.942,536 1.4,537 0.955,538 1.171,539 1.005,540 1.062,541 1.075,542 1.353,543 1.01,544 7.5,545 0.259,546 4,547 2.778,548 2.059,549 1.313,550 0.808,551 0.592,552 0.401,553 0.364,554 24954,555 60636,556 2.038,557 47.2,558 3,559 16,560 1,561 1,562 5,564 6,565 2,567 1.784,568 1.9,569 3.978,570 2.188,577 112.87,578 1.568,579 3.805,580 4.934,581 5.406,582 5.472,583 5.5,584 3.485,585 4.912,586 5.209,587 4.211,588 2960.66,589 9.162,590 52506.4,595 444.235,596 1.433,597 5.174,598 0.183,599 0.006,600 0.071,601 0.047,602 0.035,603 0.026,604 0.017,605 0.013,606 0.009,607 0.009,608 0.417,610 0.88,611 1.611,612 215.938,613 -0.077,614 -0.048,615 0.048,616 0.046,617 -0.079,618 0.041,619 0.204,620 0.122,621 0.084,622 0.093,623 0.145,624 0.073,625 -0.118,626 0.049,627 0.043,628 0.091,629 -0.036,630 0.056,631 0.111,632 -0.128,633 0.1,634 -0.085,635 0.072,636 -0.041,637 -0.067,638 -0.107,640 -0.038,641 -0.019,642 0.011,643 0.025,644 0.055,645 0.051,646 0.083,647 0.051,648 0.112,649 -0.2,650 0.045,651 -0.078,652 0.018,653 -0.16,654 -0.001,655 -0.009,656 -0.003,657 -0.03,658 -0.049,659 -0.037,660 -0.022,661 1.981,662 5.951,663 0.553,664 62.205,665 0.996,666 1.127,667 3.383,668 11.446,669 0.67,670 3.738,671 4.043,672 4.304,673 4.564,674 4.754,675 4.86,676 4.984,677 5.153,678 5.22,679 5.323,680 9.651,681 0.627,682 530.76,683 3.738,684 5.273,685 6.116,686 6.989,687 7.852,688 8.736,689 9.61,690 10.502,691 11.386,692 12.284,693 8.3,696 1,697 1,700 3,703 1,708 2,709 10,710 1,713 1,714 7,716 22,723 1,727 1,735 72,737 24,738 2,739 41,741 75,742 29,743 19,744 4,745 8,746 1,748 4,749 5,753 1,754 3,760 1,762 21,763 8,767 2,772 2,776 2,783 34,784 8,785 5,786 9,787 1,792 6,797 0.75,798 2,809 1,815 1,816 3,819 1,839 1,843 3,845 1,847 3,851 38,852 1,858 5,860 3,864 1,869 1,874 2.8,877 2,881 20,882 13.567,883 8.583,884 4.521,886 4.301,887 1.513,888 0.989,889 9.588,890 12.682,891 4.007,892 4.598,893 5.188,894 5.814,895 6.349,896 6.704,897 7.134,898 7.602,899 7.903,900 8.262,901 1,902 59,903 14.074,905 5.88,906 7.715,907 26.972,909 21.734,911 2.215,912 84.167,916 341.362,917 194.1,918 106.839,920 50.29,922 31.278,923 162.822,924 391.652,925 106.839,926 26.476,927 64.99,928 116.356,929 83.551,930 33,931 19.121,932 349.097,934 341.362,935 269.662,936 50.29,937 31.278,939 247.193,940 144.459,943 103.637,944 149.239,945 16.786,946 31.278,947 341.362,948 157.129,949 194.1,952 341.362,953 75.118,954 122.106,955 54.032,956 99.973,957 341.362,958 157.129,959 194.1,961 0.573,962 0.337,963 0.18,964 0.091,965 24,966 12,967 0.133,968 10,969 1,970 1.095,971 4.868,972 353.023,973 0.095,974 21,975 189.421,977 1,981 27.868,982 13.074,983 7.042,984 1.581,985 157.129,986 18.683,987 4.323,990 1.478,991 5.2,993 86.929,994 692.591,995 54,1000 25.352,1004 -0.458,1007 71.712,1008 81.141,1009 0.254,1010 0.617,1011 0.8,1012 0.876,1013 0.887,1014 0.891,1015 5.234,1016 1.927,1017 6.094,1018 5.71,1019 4.727,1020 5.286,1021 2.197,1022 6.895,1023 4.656,1024 6.437,1025 1.741,1026 7.646,1027 5.416,1028 4.29,1029 5.112,1030 1.305,1031 7.806,1032 4.213,1033 7.742,1034 1.597,1035 9.3,1036 4.681,1037 6.308,1038 7.501,1039 2.65,1040 10.919,1041 6.178,1042 9.085,1043 1.279,1044 11.015,1045 4.157,1046 6.698,1047 8.191,1048 2.354,1049 12.719,1050 6.558,1051 10.462,1052 1.181,1053 12.772,1054 3.1,1055 8.175,1056 10.06,1057 3.357,1058 15.379,1059 7.995,1060 11.865,1061 1.065,1062 14.56,1063 2.674,1064 8.96,1065 11.178,1066 3.414,1067 17.569,1068 8.761,1069 13.289,1070 1,1071 16.374,1072 2.585,1073 10.227,1074 12.842,1075 4.206,1076 20.092,1077 9.995,1078 3.308,1079 0.788,1080 18.207,1081 2.275,1082 11.209,1083 14.178,1084 4.466,1085 22.449,1086 10.952,1087 2.807,1088 11.945,1089 20.058,1090 2.008,1091 12.4,1092 15.76,1093 5.133,1094 24.933,1095 12.111,1096 2.718,1097 9.362,1098 21.923,1099 4.717,1100 13.481,1101 17.205,1102 5.504,1103 27.359,1104 13.161,1105 2.549,1106 7.836,1107 23.8,1108 3.753,1109 14.65,1110 18.758,1111 6.1,1112 29.834,1113 14.298,1114 2.445,1115 7.515,1116 25.687,1117 3.66,1118 15.78,1119 20.256,1120 6.531,1121 32.29,1122 15.395,1123 2.325,1124 6.999,1125 27.583,1126 3.382,1127 16.948,1128 21.801,1129 7.087,1130 34.764,1131 16.53,1132 2.092,1133 6.643,1134 29.487,1135 2.994,1136 18.105,1137 23.325,1138 7.551,1139 37.232,1140 17.651,1141 24181,1142 38019,1143 27.046,1144 48.25,1145 60.223,1146 61.898,1147 63.082,1148 59.806,1149 59.923,1150 78.581,1151 7.523,1152 169.544,1153 57.715,1154 5.678,1155 5.605,1156 6.705,1157 5.386,1158 5.308,1159 7.717,1160 2.912,1161 19.465,1162 5.202,1163 21.478,1164 1.469,1165 1.51,1166 1.539,1167 1.459,1168 1.462,1169 1.917,1170 0.183,1171 4.135,1172 1.408,1173 4.123,1174 4.135,1175 4.342,1176 4.125,1177 7.432,1178 4.085,1179 3.935,1180 3.969,1181 3.885,1182 3.861,1183 7.428,1184 3.858,1185 3.851,1186 3.885,1187 3.806,1188 3.784,1189 5.18,1190 3.778,1191 3.776,1192 3.85,1193 3.654,1194 3.59,1195 4.79,1196 3.589,1197 3.559,1198 3.628,1199 3.53,1200 3.368,1201 4.743,1202 3.372,1203 3.443,1204 3.493,1205 3.386,1206 3.243,1207 4.58,1208 3.244,1209 3.312,1210 3.407,1211 3.364,1212 3.14,1213 4.336,1214 3.155,1215 3.306,1216 3.353,1217 3.145,1218 3.123,1219 4.246,1220 3.089,1221 0.116,1222 0.088,1223 0.171,1224 0.104,1225 0.081,1226 4.742,1227 0.115,1228 3.605,1229 0.04,1230 7.007,1231 0.291,1232 4.276,1233 0.078,1234 3.308,1235 4.717,1236 1.656,1237 11.945,1238 3.202,1239 1.963,1240 1.943,1241 2.044,1242 2.052,1243 1.273,1244 2.048,1245 1.913,1246 1.884,1247 2.027,1248 2.011,1249 1.178,1250 2.016,1251 1.836,1252 1.817,1253 1.984,1254 1.968,1255 1.131,1256 1.979,1257 1.732,1258 1.658,1259 1.876,1260 1.925,1261 1.05,1262 1.925,1263 1.515,1264 1.448,1265 1.79,1266 1.746,1267 1.006,1268 1.761,1269 1.414,1270 1.387,1271 1.725,1272 1.616,1273 0.869,1274 1.638,1275 1.351,1276 1.256,1277 1.561,1278 1.584,1279 0.655,1280 1.592,1281 1.275,1282 1.222,1283 1.465,1284 1.481,1285 0.612,1286 1.491,1287 4.419,1289 5.727,1290 2.398,1291 7.225,1292 4.727,1293 8.814,1294 6.88,1295 10.457,1297 6.254,1301 6.266,1303 4.443,1305 8.714,1309 2.331,1314 45.12,1315 112.87,1316 273.94,1317 355.215,1318 389.215,1319 393.97,1320 395.97,1321 80.516,1322 8.381,1323 112.38,1324 140.62,1325 23,1326 12.811,1327 4.644,1328 3.807,1329 67.96,1330 215,1331 224,1332 0.15,1333 284.135,1334 487.63,1335 685.05,1336 61358,1338 27.07,1339 0.712,1340 0.601,1341 27.424,1342 22.822,1343 18.389,1344 0.449,1345 0.334,1346 12.743,1347 17.376,1348 12.278,1349 10.278,1350 18.843,1351 13.685,1352 16.14,1353 0.288,1354 0.178,1355 16.665,1356 9.953,1357 13.405,1358 0.184,1359 0.102,1360 14.109,1361 7.443,1362 11.22,1363 0.118,1364 0.057,1365 12.208,1366 5.425,1367 8.465,1368 0.074,1369 0.029,1370 9.318,1371 3.389,1372 0.244,1373 118.653,1374 0.192,1375 35.321,1376 0.388,1377 194,1378 525.933,1379 231.59,1380 539.351,1381 739.05,1382 504,1383 226,1384 530.292,1385 261.693,1386 556.073,1387 811.35,1388 523,1389 7.1}
{0 CHEMBL1999428,1 1.37,2 10.783,3 3.367,4 11.336,5 91.545,6 7.376,7 0.72,8 3.786,9 3.901,10 3.351,11 3.423,12 4.921,13 3.382,14 4.26,15 4.415,16 3.654,17 3.78,18 5.359,19 3.714,20 4.519,21 4.722,22 3.688,23 3.896,24 5.551,25 3.801,26 4.554,27 4.767,28 3.582,29 3.833,30 5.631,31 3.721,32 4.548,33 4.792,34 3.467,35 3.755,36 5.583,37 3.63,38 4.393,39 4.642,40 3.333,41 3.619,42 5.395,43 3.491,44 4.201,45 4.436,46 3.231,47 3.455,48 5.271,49 3.347,50 4.052,51 4.271,52 3.085,53 3.323,54 5.134,55 3.217,56 0.028,57 0.534,58 7.877,59 3.654,60 6.588,61 4.832,62 0.118,63 0.859,64 13.672,65 5.932,66 15.183,67 8.009,68 0.126,69 1.088,70 19.221,71 7.947,72 25.076,73 10.777,74 0.158,75 1.101,76 20.581,77 8.273,78 34.64,79 11.065,80 0.203,81 1.076,82 21.595,83 8.37,84 43.002,85 11.26,86 0.139,87 0.923,88 18.346,89 7.333,90 29.449,91 10.054,92 0.116,93 0.758,94 14.919,95 5.957,96 26.368,97 8.058,98 0.113,99 0.654,100 12.63,101 4.985,102 25.235,103 6.623,104 5,105 33,106 0.239,107 0.506,108 0.656,109 0.784,110 0.813,111 0.813,112 3.187,113 0.912,114 -4.33,115 -4.26,116 -4.02,119 48.8,120 1,127 1,142 11,143 4,145 2,158 1,172 15,175 3,178 1,180 3,183 18,188 3,193 4,196 14,200 5,205 4,208 9,213 5,218 2,221 9,225 5,230 1,233 10,238 4,243 2,246 11,258 10,263 1,267 1,272 10,276 727,277 15.759,278 15.759,279 15.759,280 15.759,281 15.759,282 13.529,283 8.707,284 9.586,285 15.87,286 12.343,287 12.343,288 12.343,289 12.343,290 12.343,291 9.099,292 12.096,293 4.558,294 12.484,295 3.988,296 2.461,297 1.599,298 0.866,299 0.701,300 0.701,301 3.871,304 1,305 1,306 1,307 533,308 3,312 250.87,319 1.811,320 13.829,321 1,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 48,332 248,333 4.288,334 3.585,335 6.181,336 3.933,337 2.935,338 3.926,339 1.081,340 9.144,341 2.927,342 4.1,343 3.018,344 6.094,345 3.803,346 2.813,347 3.569,348 0.473,349 8.838,350 2.783,351 3.966,352 2.841,353 5.899,354 3.613,355 2.607,356 3.476,358 8.158,359 2.618,360 3.399,361 2.127,362 4.576,363 2.914,364 1.932,365 2.776,367 4.855,368 1.894,369 3.13,370 1.856,371 4.362,372 2.746,373 1.765,374 2.329,376 4.269,377 1.731,378 2.879,379 1.714,380 3.887,381 2.389,382 1.401,383 1.994,385 3.231,386 1.376,387 2.559,388 1.188,389 3.495,390 2.074,391 1.106,392 1.573,394 2.646,395 1.068,396 2.5,397 1.126,398 3.414,399 2,400 1,401 1.5,403 2.275,404 1,405 2.5,406 1,407 3.366,408 2,409 1,410 1.5,412 2.136,413 1,414 2.5,415 1,416 3.247,417 1.984,418 1,419 1.5,421 2.136,422 0.983,423 2.288,424 1,425 3.247,426 1.885,427 0.875,428 1.175,430 2.134,431 0.878,432 1.044,433 0.285,434 2.575,435 0.657,436 -0.325,437 -0.398,439 -0.782,440 -0.319,441 0.836,442 -0.28,443 2.283,444 0.488,445 -0.542,446 -0.712,448 -1.261,449 -0.551,450 0.609,451 -0.636,452 2,453 0.237,454 -0.764,455 -0.965,457 -1.628,458 -0.765,459 0.568,460 -0.823,461 1.794,462 0.11,463 -0.89,464 -1.303,466 -1.963,467 -0.892,468 11.133,469 0.484,470 0.435,471 0.019,472 33.25,473 1.446,474 19.5,475 0.848,476 13.75,477 0.598,478 14.409,479 0.626,480 23.067,481 0.563,482 22.559,483 0.981,484 6.778,485 0.295,486 4.459,487 0.194,488 0.075,490 0.269,496 0.68,497 1.067,498 0.795,499 0.934,500 0.599,501 0.881,502 0.678,503 1.07,504 0.929,505 1.01,506 0.613,507 0.992,508 0.984,509 1.048,510 1.003,511 1.034,512 0.887,513 1.019,514 1.321,515 1.142,516 1.135,517 1.146,518 1.37,519 1.129,520 1.456,521 0.938,522 1.049,523 0.947,524 1.586,525 0.963,526 1.08,527 0.934,528 0.947,529 0.957,530 1.152,531 0.945,532 1.222,533 0.955,534 0.929,535 0.95,536 1.315,537 0.923,538 1.493,539 1.029,540 1.084,541 1.017,542 1.618,543 1.019,544 3.5,545 0.062,546 2.667,547 1.125,548 0.684,549 0.778,550 0.405,551 0.165,552 0.135,553 0.144,554 6215,555 15431,556 2.093,557 43.9,559 12,561 2,562 1,564 3,567 1.652,568 2,569 3.416,570 -0.412,571 1,572 1,574 1,577 56.162,578 1.37,579 2.896,580 3.758,581 4.491,582 4.656,583 4.656,584 2.893,585 4.002,586 4.495,587 3.556,588 899.559,589 7.711,590 10518.3,591 1,592 1,594 1,595 219.66,596 1.214,597 4.473,598 0.14,599 0.005,600 0.081,601 0.034,602 0.024,603 0.031,604 0.018,605 0.008,606 0.008,607 0.01,608 0.361,609 0.5,610 1,611 0.503,612 109.384,613 -0.02,614 -0.023,615 0.035,616 0.019,617 -0.058,618 0.03,619 0.106,620 -0.033,621 -0.049,622 -0.059,623 0.035,624 -0.068,625 -0.058,626 -0.052,627 -0.06,628 -0.069,629 -0.016,630 -0.063,631 -0.101,632 -0.172,633 -0.154,634 -0.179,635 -0.074,636 -0.173,637 -0.127,638 0.013,639 -0.024,640 0.033,641 -0.118,642 0.016,643 -0.018,644 0.008,645 0.063,646 0.033,647 0.004,648 0.053,649 -0.023,650 -0.008,651 0.079,652 0.035,653 0.022,654 0.062,655 -0.137,656 -0.067,657 -0.083,658 -0.045,659 -0.119,660 -0.058,661 1.734,662 5.355,663 0.783,664 21.07,665 0.99,666 1.11,667 3.099,668 9.604,669 0.697,670 3.258,671 3.526,672 3.761,673 3.932,674 4.111,675 4.043,676 4.143,677 4.111,678 4.174,679 4.174,680 6.311,681 0.658,682 302.4,683 3.258,684 4.762,685 5.587,686 6.428,687 7.266,688 8.111,689 8.954,690 9.8,691 10.645,692 11.493,693 4.9,700 1,703 1,709 13,710 1,714 4,716 18,723 1,735 41,737 19,738 2,739 25,741 43,742 20,743 17,744 3,745 9,746 1,748 3,749 3,754 1,760 1,762 18,763 2,767 1,772 1,776 1,779 1,780 1,783 18,784 3,785 1,786 3,792 2,797 1,798 1,809 1,816 3,843 3,847 1,851 23,860 1,863 1,874 2.4,877 1,881 11.5,882 7.533,883 5.167,884 2.418,886 3.017,887 1.449,888 0.987,889 4.606,890 9.736,891 3.584,892 4.135,893 4.689,894 5.196,895 5.715,896 5.766,897 6.181,898 6.374,899 6.687,900 6.948,901 1,902 33,903 8.47,905 3.513,906 7.681,907 16.226,909 13.012,911 2.181,912 50.167,915 1,916 200.109,917 148.606,918 34.796,920 25.145,923 148.606,924 225.254,925 34.796,926 8.825,927 18.011,928 104.239,929 70.177,930 30.837,932 176.567,934 200.109,935 183.402,936 25.145,939 164.795,940 60.458,943 44.931,944 121.686,945 16.786,947 200.109,948 59.941,949 148.606,952 200.109,953 17.447,954 131.159,955 18.011,956 41.93,957 200.109,958 59.941,959 148.606,961 0.569,962 0.332,963 0.173,964 0.09,965 15,966 6,967 0.093,968 4,970 1,971 3.653,972 173.44,974 18,975 92.042,981 15.142,982 6.996,983 3.711,985 59.941,986 24.975,987 4.014,991 3.907,993 18.011,994 408.656,995 35,1000 12.355,1004 -0.067,1007 40.6,1008 45.528,1009 0.256,1010 0.541,1011 0.702,1012 0.838,1013 0.869,1014 0.869,1015 4.766,1016 1,1017 5.533,1018 2.646,1019 4.205,1020 4.82,1021 1.331,1022 6.275,1023 4.187,1024 5.945,1025 1,1026 7.05,1027 2.275,1028 3.611,1029 4.29,1031 7.05,1032 3.608,1033 7.214,1034 1,1035 8.671,1036 2.136,1037 5.727,1038 6.929,1039 1.343,1040 10.116,1041 5.697,1042 8.519,1043 0.875,1044 10.356,1045 2.136,1046 5.994,1047 7.227,1049 11.734,1050 5.982,1051 9.856,1052 -0.325,1053 12.081,1054 2.134,1055 7.532,1056 9.294,1057 1.438,1058 14.267,1059 7.497,1060 11.216,1061 -0.542,1062 13.832,1063 -0.782,1064 8.2,1065 10.007,1067 16.207,1068 8.177,1069 12.593,1070 -0.764,1071 15.6,1072 -1.261,1073 9.478,1074 11.781,1075 1.555,1076 18.541,1077 9.438,1078 2.935,1079 -0.89,1080 17.381,1081 -1.628,1082 10.342,1083 12.731,1085 20.616,1086 10.308,1087 2.813,1088 9.144,1089 19.169,1090 -1.963,1091 11.499,1092 14.337,1093 1.679,1094 22.869,1095 11.453,1096 2.607,1097 8.838,1098 20.962,1099 3.926,1100 12.459,1101 15.433,1103 25.004,1104 12.414,1105 1.932,1106 8.158,1107 22.76,1108 3.569,1109 13.56,1110 16.938,1111 1.807,1112 27.223,1113 13.506,1114 1.765,1115 4.855,1116 24.56,1117 3.476,1118 14.567,1119 18.126,1121 29.387,1122 14.512,1123 1.401,1124 4.269,1125 26.362,1126 2.776,1127 15.643,1128 19.569,1129 1.939,1130 31.591,1131 15.581,1132 1.106,1133 3.231,1134 28.165,1135 2.329,1136 16.675,1137 20.817,1139 33.769,1140 16.61,1141 5960,1142 9488,1143 16.989,1144 28.557,1145 37.422,1146 37.753,1147 37.456,1148 36.858,1149 36.871,1150 50.634,1151 3.107,1152 99.642,1153 36.516,1154 5.16,1155 5.585,1156 5.983,1157 4.968,1158 4.935,1159 6.926,1160 2.162,1161 15.582,1162 4.927,1163 8.166,1164 1.497,1165 1.51,1166 1.498,1167 1.474,1168 1.475,1169 2.025,1170 0.124,1171 3.986,1172 1.461,1173 4.013,1174 4.041,1175 3.961,1176 3.95,1177 7.429,1178 3.949,1179 3.915,1180 3.948,1181 3.844,1182 3.855,1183 4.928,1184 3.848,1185 3.745,1186 3.782,1187 3.685,1188 3.638,1189 4.759,1190 3.644,1191 3.477,1192 3.544,1193 3.364,1194 3.305,1195 4.645,1196 3.306,1197 3.153,1198 3.192,1199 3.048,1200 2.969,1201 4.154,1202 2.987,1203 2.854,1204 2.925,1205 2.687,1206 2.735,1207 3.799,1208 2.715,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.674,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.674,1220 2.715,1221 0.172,1222 0.143,1223 0.247,1224 0.157,1225 0.117,1226 4.288,1227 0.157,1228 3.585,1229 0.043,1230 6.181,1231 0.366,1232 3.933,1233 0.117,1234 2.935,1235 3.926,1236 1.081,1237 9.144,1238 2.927,1239 1.979,1240 1.957,1241 2.074,1242 2.063,1243 1.203,1244 2.067,1245 1.919,1246 1.889,1247 2.044,1248 2.006,1249 1.16,1250 2.02,1251 1.718,1252 1.683,1253 1.839,1254 1.85,1255 0.871,1256 1.849,1257 1.458,1258 1.39,1259 1.722,1260 1.662,1261 0.821,1262 1.683,1263 1.079,1264 1.046,1265 1.261,1266 1.332,1267 0.283,1268 1.315,1269 0.886,1270 0.821,1271 1.181,1272 1.062,1273 0.218,1274 1.107,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 3.932,1289 5.209,1291 6.693,1293 8.257,1295 9.858,1297 1.985,1305 3.023,1308 -0.024,1314 26.972,1315 56.162,1316 118.745,1317 154.096,1318 184.15,1319 190.905,1320 190.905,1321 33.131,1322 6.719,1323 41.99,1324 41.99,1325 18,1326 12.053,1327 4.322,1328 3.459,1329 37.069,1330 87,1331 77,1332 0.207,1333 168.748,1334 289.17,1335 403.505,1336 7039,1338 16.071,1339 0.699,1340 0.563,1341 16.071,1342 12.938,1343 11.237,1344 0.449,1345 0.304,1346 7.552,1347 11.026,1348 7.333,1349 6.143,1350 11.237,1351 7.601,1352 9.661,1353 0.293,1354 0.164,1355 9.661,1356 5.419,1357 8.136,1358 0.194,1359 0.091,1360 8.136,1361 3.808,1362 6.466,1363 0.129,1364 0.049,1365 6.466,1366 2.463,1367 4.99,1368 0.083,1369 0.026,1370 4.99,1371 1.586,1372 0.33,1373 68.909,1374 0.243,1375 23.018,1376 0.551,1377 116,1378 301.714,1379 121.656,1380 302.855,1381 416.76,1382 284,1383 133,1384 304.721,1385 138.324,1386 314.655,1387 452.33,1388 297,1389 5.1}
{0 CHEMBL1999496,1 1.332,2 8.962,3 4.052,4 16.422,5 103.679,6 7.135,7 0.621,8 3.948,9 4.065,10 3.492,11 3.589,12 5.022,13 3.54,14 4.442,15 4.607,16 3.808,17 3.96,18 5.451,19 3.885,20 4.689,21 4.871,22 3.893,23 4.117,24 5.672,25 4.022,26 4.827,27 5.05,28 3.866,29 4.152,30 5.759,31 4.03,32 4.838,33 5.055,34 3.952,35 4.167,36 5.854,37 4.064,38 4.88,39 5.093,40 3.881,41 4.158,42 5.93,43 4.039,44 4.864,45 5.125,46 3.757,47 4.068,48 5.814,49 3.927,50 4.718,51 4.969,52 3.504,53 3.929,54 5.684,55 3.778,56 0.038,57 0.632,58 9.823,59 4.505,60 8.338,61 6.07,62 0.132,63 1.022,64 17.221,65 7.533,66 20.046,67 10.354,68 0.148,69 1.29,70 22.763,71 9.594,72 28.587,73 13.014,74 0.202,75 1.446,76 27.38,77 11.497,78 35.127,79 15.777,80 0.168,81 1.44,82 27.632,83 11.637,84 42.213,85 15.837,86 0.292,87 1.508,88 29.167,89 11.666,90 54.408,91 15.71,92 0.2,93 1.483,94 29.651,95 11.92,96 43.996,97 16.673,98 0.283,99 1.291,100 25.854,101 9.735,102 51.235,103 13.321,104 10,105 42,106 0.225,107 0.532,108 0.679,109 0.761,110 0.775,111 0.775,112 3.305,113 0.925,114 -4.99,115 -4.89,116 -4.58,119 47.9,120 2,121 1,122 1,123 1,142 10,143 4,144 1,145 2,158 1,172 19,175 3,178 1,180 3,183 26,188 2,193 2,196 26,200 4,203 1,205 2,208 24,213 4,218 4,221 24,224 1,225 5,230 4,233 16,238 6,243 4,246 16,250 2,258 12,264 4,272 8,276 1132,277 17.625,278 17.625,279 17.625,280 17.625,281 17.625,282 15.269,283 21.736,284 10.406,285 17.731,286 14.329,287 14.329,288 14.329,289 14.329,290 14.329,291 10.932,292 33.345,293 4.942,294 14.472,295 4.253,296 2.433,297 1.557,298 1.073,299 0.99,300 0.99,301 3.991,304 1,305 1,306 1,307 507,308 3.162,309 47.917,312 269.719,319 1.281,320 17.61,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 54,332 233,333 4.945,334 4.218,335 8.356,336 4.862,337 3.861,338 4.229,339 1.907,340 16.803,341 3.863,342 3.988,343 3.515,344 6.025,345 3.638,346 2.653,347 3.562,348 0.68,349 8.175,350 2.614,351 3.952,352 2.674,353 5.68,354 3.528,355 2.528,356 3.488,357 0.149,358 7.273,359 2.528,360 3.821,361 2.573,362 5.383,363 3.426,364 2.436,365 3.271,367 6.936,368 2.405,369 3.49,370 2.518,371 5.072,372 3.126,373 2.118,374 2.735,376 5.961,377 2.128,378 3.127,379 1.946,380 4.834,381 2.742,382 1.742,383 2.36,385 5.007,386 1.742,387 2.931,388 1.826,389 4.558,390 2.527,391 1.552,392 2.085,394 4.147,395 1.513,396 2.8,397 1.519,398 3.693,399 2.308,400 1.343,401 1.897,403 2.991,404 1.287,405 2.638,406 1.25,407 3.517,408 2.157,409 1.157,410 1.703,412 2.572,413 1.157,414 2.586,415 1.191,416 3.49,417 2.132,418 1.13,419 1.597,421 2.563,422 1.129,423 2.5,424 1,425 3.451,426 1.984,427 1,428 1.5,430 2.136,431 0.983,432 1.427,433 0.674,434 3.331,435 1.213,436 0.22,437 0.254,439 0.676,440 0.218,441 1.174,442 0.358,443 3.247,444 0.766,445 -0.227,446 -0.288,448 -0.553,449 -0.224,450 0.942,451 -0.13,452 2.88,453 0.601,454 -0.399,455 -0.505,457 -0.887,458 -0.399,459 0.906,460 -0.131,461 2.699,462 0.583,463 -0.418,464 -0.522,466 -0.945,467 -0.419,468 12.633,469 0.486,470 0.666,471 0.026,472 35.75,473 1.375,474 20,475 0.769,476 15.75,477 0.606,478 20.594,479 0.792,480 26.367,481 0.549,482 25.318,483 0.974,484 6.927,485 0.266,486 5.665,487 0.218,488 0.106,489 0.04,490 0.277,496 0.674,497 1.059,498 0.818,499 0.944,500 0.594,501 0.898,502 0.596,503 1.022,504 0.869,505 0.969,506 0.58,507 0.944,508 1.118,509 1.1,510 1.085,511 1.095,512 1.17,513 1.087,514 0.962,515 0.958,516 0.998,517 1.029,518 1.027,519 1.021,520 1.067,521 1.013,522 0.892,523 1.008,524 1.165,525 0.953,526 1.499,527 1.1,528 1.164,529 1.118,530 1.665,531 1.121,532 0.954,533 0.978,534 0.894,535 0.956,536 0.958,537 0.928,538 1.734,539 0.82,540 1.22,541 0.882,542 1.753,543 0.989,544 6,545 0.066,546 3.056,547 2.771,548 1.601,549 0.952,550 0.763,551 0.361,552 0.157,553 0.125,554 7452,555 17132,556 2.115,557 45.8,558 8,559 10,561 2,562 1,563 1,567 1.699,568 1.987,569 3.146,570 -0.446,572 1,577 63.929,578 1.332,579 3.152,580 4.028,581 4.512,582 4.595,583 4.595,584 2.493,585 4.008,586 4.67,587 3.304,588 1073.7,589 8.136,590 13172.9,592 1,594 1,595 268.078,596 1.508,597 4.629,598 0.207,599 0.005,600 0.078,601 0.068,602 0.041,603 0.022,604 0.02,605 0.011,606 0.006,607 0.006,608 0.464,609 0.5,610 1,611 0.54,612 124.872,613 -0.01,614 0.001,615 0.048,616 0.037,617 -0.034,618 0.046,619 0.144,620 0.008,621 0.039,622 0.012,623 0.063,624 0.015,625 -0.106,626 -0.087,627 -0.148,628 -0.121,629 -0.165,630 -0.135,631 0.013,632 0.01,633 -0.031,634 -0.041,635 -0.002,636 -0.04,637 0.042,638 -0.061,639 0.083,640 -0.015,641 0.109,642 0.029,643 -0.053,644 -0.125,645 -0.17,646 -0.147,647 -0.048,648 -0.167,649 0.041,650 -0.028,651 0.108,652 0.029,653 0.076,654 0.067,655 -0.326,656 0.17,657 -0.2,658 0.081,659 -0.289,660 -0.029,661 1.598,662 5.975,663 0.808,664 21.923,665 0.987,666 1.112,667 3.756,668 14.105,669 0.689,670 3.401,671 3.761,672 4.043,673 4.344,674 4.575,675 4.635,676 4.745,677 4.836,678 4.796,679 4.796,680 5.617,681 0.646,682 342.47,683 3.401,684 4.963,685 5.844,686 6.765,687 7.685,688 8.628,689 9.57,690 10.527,691 11.482,692 12.447,693 4.2,700 1,703 1,709 12,710 1,714 5,716 18,735 48,737 19,738 2,739 29,741 51,742 23,743 17,744 4,745 8,748 4,749 4,754 2,755 1,756 1,757 1,758 1,760 1,762 18,763 5,764 1,767 1,772 1,776 1,780 1,783 22,784 3,785 1,786 3,792 2,797 1,798 1,809 1,813 1,816 3,829 1,843 4,847 2,851 26,858 1,860 1,863 1,865 1,874 2.1,877 1,881 13.083,882 9.2,883 5.653,884 2.883,886 2.253,887 1.315,888 0.99,889 4.18,890 9.406,891 3.689,892 4.284,893 4.806,894 5.365,895 5.877,896 5.965,897 6.292,898 6.623,899 6.802,900 7.03,901 0.833,902 41,903 9.633,905 4.162,906 7.599,907 18.712,909 15.93,911 2.099,912 54.583,915 1,916 247.193,917 153.246,918 34.796,920 25.145,923 153.246,924 272.338,925 34.796,926 17.65,927 20.545,928 94.762,929 70.177,930 33.594,932 223.651,934 247.193,935 188.042,936 25.145,939 247.193,940 25.145,943 56.291,944 114.966,945 16.786,947 247.193,948 59.941,949 153.246,952 247.193,953 22.738,954 130.508,955 18.011,956 41.93,957 247.193,958 59.941,959 153.246,961 0.583,962 0.334,963 0.19,964 0.109,965 22,966 9,967 0.078,968 4,970 1,971 3.754,972 228.948,974 21,975 100.211,981 16.689,982 6.512,983 3.219,985 59.941,986 24.102,987 4.005,991 5.666,993 18.011,994 460.38,995 39,1000 12.975,1004 0.069,1007 47.367,1008 53.358,1009 0.238,1010 0.564,1011 0.721,1012 0.808,1013 0.823,1014 0.823,1015 4.938,1016 1.343,1017 5.866,1018 4.147,1019 4.443,1020 4.97,1021 2.076,1022 6.804,1023 4.428,1024 6.171,1025 1.157,1026 7.506,1027 2.991,1028 4.29,1029 4.758,1030 1.593,1031 8.374,1032 4.289,1033 7.512,1034 1.13,1035 9.286,1036 2.572,1037 6.217,1038 7.132,1039 2.927,1040 11.576,1041 6.199,1042 8.895,1043 1,1044 11.164,1045 2.563,1046 6.957,1047 7.676,1048 3.032,1049 14.091,1050 6.954,1051 10.319,1052 0.22,1053 13.115,1054 2.136,1055 8.449,1056 9.566,1057 4.041,1058 16.991,1059 8.436,1060 11.775,1061 -0.227,1062 15.119,1063 0.676,1064 9.575,1065 10.49,1066 4.409,1067 19.747,1068 9.573,1069 13.258,1070 -0.399,1071 17.16,1072 -0.553,1073 10.947,1074 12.155,1075 5.251,1076 22.586,1077 10.942,1078 3.861,1079 -0.418,1080 19.227,1081 -0.887,1082 12.219,1083 13.291,1084 5.75,1085 25.393,1086 12.219,1087 2.653,1088 16.803,1089 21.312,1090 -0.945,1091 13.566,1092 14.84,1093 6.501,1094 28.218,1095 13.566,1096 2.528,1097 8.175,1098 23.409,1099 4.229,1100 14.89,1101 16.1,1102 7.068,1103 31.037,1104 14.892,1105 2.436,1106 7.273,1107 25.514,1108 3.562,1109 16.235,1110 17.588,1111 7.771,1112 33.859,1113 16.239,1114 2.118,1115 6.936,1116 27.625,1117 3.488,1118 17.576,1119 18.922,1120 8.374,1121 36.68,1122 17.581,1123 1.742,1124 5.961,1125 29.74,1126 3.271,1127 18.924,1128 20.38,1129 9.051,1130 39.502,1131 18.929,1132 1.552,1133 5.007,1134 31.857,1135 2.735,1136 20.271,1137 21.758,1138 9.674,1139 42.323,1140 20.277,1141 7130,1142 10904,1143 19.474,1144 33.08,1145 44.134,1146 44.606,1147 45.962,1148 43.449,1149 43.48,1150 57.362,1151 5.472,1152 130.479,1153 43.132,1154 5.881,1155 6.218,1156 8.158,1157 5.897,1158 5.861,1159 7.229,1160 3.306,1161 25.174,1162 5.863,1163 10.981,1164 1.522,1165 1.538,1166 1.585,1167 1.498,1168 1.499,1169 1.978,1170 0.189,1171 4.499,1172 1.487,1173 4.12,1174 4.143,1175 4.067,1176 4.07,1177 7.428,1178 4.066,1179 3.865,1180 3.909,1181 3.807,1182 3.793,1183 4.912,1184 3.784,1185 3.845,1186 3.876,1187 3.771,1188 3.746,1189 4.803,1190 3.756,1191 3.695,1192 3.733,1193 3.609,1194 3.605,1195 4.675,1196 3.599,1197 3.215,1198 3.278,1199 3.125,1200 3.029,1201 4.178,1202 3.026,1203 3.144,1204 3.231,1205 2.941,1206 3,1207 3.996,1208 2.975,1209 3.095,1210 3.171,1211 2.915,1212 2.874,1213 3.873,1214 2.894,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.854,1220 2.715,1221 0.171,1222 0.145,1223 0.288,1224 0.168,1225 0.133,1226 4.945,1227 0.146,1228 4.218,1229 0.066,1230 8.356,1231 0.579,1232 4.862,1233 0.133,1234 3.861,1235 4.229,1236 1.907,1237 16.803,1238 3.863,1239 1.976,1240 1.954,1241 2.081,1242 2.039,1243 1.264,1244 2.054,1245 1.86,1246 1.831,1247 1.996,1248 1.974,1249 1.094,1250 1.966,1251 1.824,1252 1.784,1253 1.936,1254 1.94,1255 0.964,1256 1.961,1257 1.374,1258 1.342,1259 1.583,1260 1.601,1261 0.823,1262 1.575,1263 1.282,1264 1.223,1265 1.536,1266 1.46,1267 0.764,1268 1.503,1269 1.183,1270 1.103,1271 1.524,1272 1.391,1273 0.582,1274 1.442,1275 1.069,1276 1.003,1277 1.332,1278 1.246,1279 0.485,1280 1.284,1281 0.886,1282 0.821,1283 1.181,1284 1.094,1285 0.218,1286 1.109,1287 4.078,1288 1.946,1289 5.425,1290 4.111,1291 6.995,1292 6.252,1293 8.676,1294 8.339,1295 10.425,1297 4.198,1303 0.83,1305 3.048,1308 -0.07,1310 -0.241,1314 31.026,1315 63.929,1316 151.31,1317 193.349,1318 216.568,1319 220.568,1320 220.568,1321 42.416,1322 7.153,1323 41.99,1324 41.99,1325 21,1326 12.93,1327 4.322,1328 3.459,1329 37.676,1330 81,1331 99,1332 0.217,1333 190.132,1334 328.71,1335 455.681,1336 10421,1338 18.148,1339 0.698,1340 0.58,1341 18.148,1342 15.068,1343 12.592,1344 0.434,1345 0.308,1346 8.899,1347 12.384,1348 8.573,1349 7.15,1350 12.592,1351 8.946,1352 11.577,1353 0.276,1354 0.171,1355 11.577,1356 7.192,1357 9.409,1358 0.168,1359 0.091,1360 9.409,1361 5.087,1362 8.097,1363 0.107,1364 0.049,1365 8.097,1366 3.733,1367 6.519,1368 0.068,1369 0.027,1370 6.519,1371 2.584,1372 0.328,1373 77.039,1374 0.227,1375 24.648,1376 0.637,1377 142,1378 329.714,1379 147.656,1380 332.77,1381 463.75,1382 312,1383 172,1384 346.003,1385 177.324,1386 359.328,1387 523.49,1388 338,1389 5.1}
{0 CHEMBL1999556,1 1.646,2 7,3 2.353,4 5.538,5 72.78,6 9.083,7 0.8,8 3.456,9 3.547,10 3.26,11 3.184,12 4.687,13 3.13,14 3.888,15 3.993,16 3.654,17 3.581,18 5.145,19 3.495,20 4.071,21 4.205,22 3.685,23 3.62,24 5.239,25 3.523,26 4.047,27 4.209,28 3.485,29 3.529,30 5.183,31 3.427,32 3.986,33 4.179,34 3.371,35 3.416,36 5.095,37 3.308,38 3.894,39 4.072,40 3.258,41 3.262,42 5.184,43 3.142,44 3.664,45 3.895,46 2.704,47 2.885,48 4.796,49 2.72,50 3.242,51 3.475,52 2.132,53 2.278,54 4.545,55 2.169,56 0.027,57 0.37,58 4.067,59 2.272,60 6.756,61 2.498,62 0.085,63 0.574,64 7.295,65 3.919,66 18.317,67 4.401,68 0.123,69 0.708,70 13.466,71 5.496,72 17.025,73 5.816,74 0.076,75 0.688,76 11.908,77 5.251,78 16.851,79 5.894,80 0.081,81 0.662,82 11.431,83 4.898,84 14.944,85 5.775,86 0.162,87 0.626,88 11.264,89 4.536,90 25.068,91 4.824,92 0.107,93 0.494,94 10.868,95 4.004,96 18.639,97 4.346,98 0.093,99 0.31,100 6.886,101 2.457,102 19.492,103 2.539,104 6,105 28,106 0.311,107 0.602,108 0.732,109 0.823,110 0.842,111 0.842,112 2.962,113 0.945,114 -3.03,115 -3.03,116 -2.92,119 50,142 6,143 3,145 2,152 2,158 1,163 1,164 1,165 1,172 9,175 1,177 1,178 1,183 12,188 5,193 2,196 9,198 2,200 4,205 1,208 6,210 1,213 3,218 1,221 5,223 1,224 1,225 2,227 1,228 1,230 1,233 3,235 1,238 2,243 2,246 1,248 2,250 2,255 2,260 2,264 1,269 1,274 1,276 334,277 12.276,278 12.276,279 12.276,280 12.276,281 12.276,282 10.314,283 2.824,284 7.31,285 12.477,286 9.894,287 9.894,288 9.894,289 9.894,290 9.894,291 6.958,292 2.351,293 3.472,294 10.255,295 3.162,296 1.625,297 0.938,298 0.456,299 0.357,300 0.357,301 3.64,305 1,306 1,307 271,308 2.345,311 32.413,312 89.473,315 62.347,319 1,320 13.64,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 38,332 126,333 4.626,334 3.519,335 6.727,336 4.154,337 3.187,338 4.572,339 0.98,340 10.991,341 3.092,342 4.075,343 3.114,344 6.002,345 3.672,346 2.706,347 3.632,349 8.541,350 2.597,351 3.745,352 2.525,353 5.59,354 3.306,355 2.318,356 3.175,358 7.075,359 2.276,360 3.254,361 1.856,362 4.673,363 2.741,364 1.772,365 2.601,367 4.764,368 1.705,369 2.997,370 1.68,371 4.074,372 2.447,373 1.493,374 2.216,376 3.583,377 1.417,378 2.712,379 1.343,380 3.685,381 2.193,382 1.226,383 1.811,385 2.822,386 1.175,387 2.543,388 1.216,389 3.53,390 2,391 1,392 1.5,394 2.454,395 1,396 2.5,397 1,398 3.247,399 1.958,400 1,401 1.466,403 2.136,404 0.932,405 1.956,406 0.47,407 3.211,408 1.37,409 0.47,410 0.694,412 1.268,413 0.414,414 1.015,415 0.116,416 2.465,417 0.542,418 -0.412,419 -0.568,421 -1.002,422 -0.39,423 0.6,424 -0.411,425 2.235,426 0.092,427 -0.895,428 -1.203,430 -2,431 -0.863,432 0.5,433 -0.882,434 2,435 0.042,436 -1,437 -1.396,439 -2.081,440 -0.916,441 0.5,442 -1,443 1.756,445 -1,446 -1.5,448 -2.347,449 -1,450 0.47,451 -1,452 1.555,453 -0.064,454 -1,455 -1.5,457 -2.874,458 -1.025,459 0.075,460 -1.184,461 1.37,462 -0.299,463 -1.256,464 -1.735,466 -3.986,467 -1.205,468 8.967,469 0.498,470 0.418,471 0.023,472 26.5,473 1.472,474 15.5,475 0.861,476 11,477 0.611,478 10.799,479 0.6,480 17.433,481 0.623,482 16.098,483 0.894,484 5.225,485 0.29,486 3.529,487 0.196,488 0.082,490 0.335,496 0.725,497 0.807,498 0.689,499 0.675,500 0.703,501 0.682,502 0.56,503 0.796,504 0.805,505 0.789,506 0.482,507 0.808,508 0.81,509 1.128,510 1.082,511 1.222,512 0.916,513 1.039,514 0.843,515 1.145,516 1.03,517 1.096,518 0.829,519 1.078,520 0.752,521 1.017,522 0.866,523 0.934,524 0.594,525 0.97,526 1.057,527 1.085,528 1.22,529 1.176,530 1.085,531 1.174,532 1.256,533 1.051,534 1.294,535 1.18,536 1.134,537 1.184,538 2.014,539 1.118,540 1.16,541 1.079,542 2.192,543 1.143,544 3,546 2,547 1.194,548 0.889,549 0.469,550 0.383,551 0.109,552 0.054,553 0.031,554 2623,555 8151,556 2.12,557 35.7,559 6,561 2,562 2,567 1.591,568 2,569 2.851,570 0.374,572 1,574 1,577 46.084,578 1.646,579 3.182,580 3.869,581 4.352,582 4.45,583 4.45,584 2.241,585 3.17,586 4.141,587 2.922,588 447.05,589 7.052,590 4097.2,591 1,592 1,594 1,595 134.606,596 1.352,597 4.109,598 0.15,600 0.071,601 0.044,602 0.037,603 0.022,604 0.023,605 0.012,606 0.011,607 0.016,608 0.386,609 0.83,610 1,611 0.816,612 74.66,613 -0.101,614 0.154,615 0.033,616 0.138,617 -0.131,618 0.1,619 0.104,620 0.15,621 0.058,622 0.122,623 0.123,624 0.037,625 0.036,626 -0.205,627 -0.022,628 -0.189,629 -0.057,630 -0.1,631 -0.051,632 -0.21,633 -0.108,634 -0.155,635 -0.067,636 -0.134,637 -0.008,638 -0.059,639 0.036,640 -0.008,641 0.047,642 0.014,643 0.095,644 -0.064,645 -0.176,646 -0.179,647 0.04,648 -0.225,649 -0.153,650 -0.052,651 -0.165,652 -0.117,653 -0.034,654 -0.112,655 -0.277,656 -0.134,657 -0.155,658 -0.105,659 -0.202,660 -0.095,661 2.06,662 4.231,663 0.833,664 10.519,665 1.005,666 1.1,667 1.802,668 3.249,669 0.756,670 3.045,671 3.367,672 3.664,673 3.951,674 4.19,675 4.248,676 4.317,677 4.357,678 4.234,679 4.143,680 4.292,681 0.716,682 254.33,683 3.045,684 4.575,685 5.434,686 6.319,687 7.204,688 8.098,689 8.993,690 9.891,691 10.789,692 11.688,693 7.1,700 1,703 1,708 2,709 8,710 1,713 1,714 3,716 16,722 1,735 28,737 17,738 1,739 20,741 30,742 14,743 13,744 1,745 5,746 1,748 3,749 4,762 14,767 1,772 1,776 1,780 1,783 10,784 3,785 2,786 4,787 1,792 2,797 0.667,798 1,809 1,815 1,816 2,819 1,843 2,845 1,851 18,852 1,869 1,874 3.6,877 1,881 9,882 5.033,883 3.944,884 1.536,886 3.253,887 1.497,888 1.047,889 2.746,890 9.803,891 3.401,892 4.056,893 4.722,894 5.388,895 5.977,896 6.344,897 6.78,898 7.198,899 7.377,900 7.651,901 0.8,902 27,903 6.601,905 2.827,906 7.824,907 12.498,909 10.327,911 2.324,912 41.833,913 0.001,916 94.169,917 121.983,918 49.683,920 25.145,922 31.278,923 90.705,924 119.314,925 49.683,927 32.897,928 56.857,929 70.177,930 27.039,931 2.104,932 101.904,934 94.169,935 140.388,936 25.145,937 31.278,939 94.169,940 25.145,943 50.992,944 72.61,945 16.786,946 31.278,947 94.169,948 74.828,949 121.983,952 94.169,953 47.031,954 74.952,956 74.828,957 94.169,958 74.828,959 121.983,961 0.579,962 0.341,963 0.189,964 0.11,965 15,966 6,967 0.067,968 2,969 1,970 1.133,971 3.035,972 133.8,973 0.133,974 15,975 71.059,977 1,981 11.209,982 4.409,983 2,984 2,985 74.828,986 15.404,987 4.22,990 1.377,991 2.677,993 32.897,994 290.979,995 29,1000 11.231,1004 -0.393,1007 28.142,1008 30.787,1009 0.342,1010 0.662,1011 0.805,1012 0.905,1013 0.926,1014 0.926,1015 4.605,1016 1,1017 5.416,1018 2.454,1019 4.043,1020 4.741,1021 1.072,1022 6.244,1023 3.973,1024 5.835,1025 0.47,1026 6.982,1027 2.136,1028 3.611,1029 4.543,1031 7.186,1032 3.523,1033 7.151,1034 -0.412,1035 8.654,1036 1.268,1037 5.638,1038 7.032,1039 1.045,1040 10.317,1041 5.508,1042 8.511,1043 -0.895,1044 10.39,1045 -1.002,1046 6.066,1047 7.724,1049 12.12,1050 5.906,1051 9.905,1052 -1,1053 12.166,1054 -2,1055 7.555,1056 9.646,1057 1.019,1058 14.758,1059 7.366,1060 11.325,1061 -1,1062 13.969,1063 -2.081,1064 8.373,1065 10.766,1067 16.9,1068 8.147,1069 12.766,1070 -1,1071 15.792,1072 -2.347,1073 9.647,1074 12.449,1075 0.993,1076 19.374,1077 9.396,1078 3.187,1079 -1.256,1080 17.629,1081 -2.874,1082 10.644,1083 13.779,1085 21.659,1086 10.356,1087 2.706,1088 10.991,1089 19.477,1090 -3.986,1091 11.833,1092 15.361,1093 0.967,1094 24.078,1095 11.52,1096 2.318,1097 8.541,1098 21.333,1099 4.572,1100 12.912,1101 16.79,1103 26.424,1104 12.565,1105 1.772,1106 7.075,1107 23.195,1108 3.632,1109 14.071,1110 18.331,1111 0.942,1112 28.824,1113 13.697,1114 1.493,1115 4.764,1116 25.064,1117 3.175,1118 15.188,1119 19.808,1121 31.197,1122 14.782,1123 1.226,1124 3.583,1125 26.937,1126 2.601,1127 16.339,1128 21.333,1129 0.917,1130 33.593,1131 15.905,1132 1,1133 2.822,1134 28.814,1135 2.216,1136 17.474,1137 22.831,1139 35.978,1140 17.009,1141 2590,1142 4659,1143 13.523,1144 21.159,1145 30.719,1146 30.926,1147 31.077,1148 30.31,1149 30.344,1150 43.337,1151 1.96,1152 87.267,1153 29.215,1154 5.258,1155 5.519,1156 6.529,1157 5.26,1158 5.187,1159 7.572,1160 1.96,1161 18.194,1162 5.092,1163 7.099,1164 1.536,1165 1.546,1166 1.554,1167 1.516,1168 1.517,1169 2.167,1170 0.098,1171 4.363,1172 1.461,1173 4.103,1174 4.113,1175 4.338,1176 4.111,1177 7.437,1178 4.069,1179 3.827,1180 3.85,1181 3.826,1182 3.796,1183 4.982,1184 3.77,1185 3.473,1186 3.514,1187 3.455,1188 3.298,1189 4.869,1190 3.307,1191 3.064,1192 3.131,1193 3.162,1194 2.922,1195 4.694,1196 2.902,1197 2.956,1198 3.002,1199 2.884,1200 2.759,1201 4.249,1202 2.793,1203 2.854,1204 2.925,1205 2.687,1206 2.735,1207 3.765,1208 2.715,1209 2.577,1210 2.645,1211 2.555,1212 2.493,1213 3.674,1214 2.452,1215 2.339,1216 2.428,1217 2.239,1218 2.074,1219 3.336,1220 2.016,1221 0.231,1222 0.176,1223 0.336,1224 0.208,1225 0.159,1226 4.626,1227 0.229,1228 3.519,1229 0.049,1230 6.727,1231 0.55,1232 4.154,1233 0.155,1234 3.187,1235 4.572,1236 0.98,1237 10.991,1238 3.092,1239 1.983,1240 1.963,1241 2.065,1242 2.048,1243 1.193,1244 2.056,1245 1.734,1246 1.708,1247 1.829,1248 1.826,1249 0.928,1250 1.836,1251 1.535,1252 1.538,1253 1.538,1254 1.696,1255 0.685,1256 1.68,1257 0.987,1258 0.951,1259 1.193,1260 1.228,1261 0.269,1262 1.244,1263 0.904,1264 0.836,1265 1.181,1266 1.062,1267 0.218,1268 1.107,1269 0.886,1270 0.821,1271 1.132,1272 1.054,1273 0.02,1274 1.09,1275 0.718,1276 0.663,1277 0.926,1278 0.884,1280 0.932,1281 0.41,1282 0.331,1283 0.629,1284 0.675,1286 0.695,1287 3.714,1289 5.03,1290 2.398,1291 6.553,1292 4.727,1293 8.167,1294 6.862,1295 9.829,1301 5.317,1314 20.052,1315 46.084,1316 89.096,1317 108.341,1318 121.851,1319 124.606,1320 124.606,1321 22.403,1322 6.55,1323 55.98,1324 84.22,1325 17,1326 12.211,1327 4.17,1328 3.322,1329 25.575,1330 46,1331 42,1332 0.288,1333 128.18,1334 209.16,1335 304.518,1336 5053,1338 12.535,1339 0.696,1340 0.571,1341 12.889,1342 10.276,1343 8.754,1344 0.438,1345 0.315,1346 5.514,1347 8.124,1348 5.314,1349 4.406,1350 9.162,1351 6.299,1352 7.892,1353 0.282,1354 0.179,1355 8.535,1356 5.024,1357 6.646,1358 0.175,1359 0.102,1360 7.522,1361 3.858,1362 5.58,1363 0.109,1364 0.056,1365 6.409,1366 2.836,1367 4.665,1368 0.072,1369 0.03,1370 5.402,1371 1.93,1372 0.427,1373 57.973,1374 0.272,1375 17.664,1376 0.863,1377 96,1378 273.553,1379 126.252,1380 293.758,1381 402.53,1382 274,1383 114,1384 279.337,1385 142.654,1386 303.643,1387 443.97,1388 286,1389 5.7}
{0 CHEMBL1999590,1 1.578,2 10.885,3 4.298,4 18.469,5 102.142,6 8.2,7 0.759,8 3.871,9 3.99,10 3.534,11 3.41,12 5.078,13 3.419,14 4.319,15 4.474,16 3.849,17 3.737,18 5.489,19 3.738,20 4.456,21 4.655,22 3.773,23 3.755,24 5.55,25 3.722,26 4.444,27 4.663,28 3.77,29 3.731,30 5.509,31 3.695,32 4.439,33 4.647,34 3.784,35 3.763,36 5.544,37 3.732,38 4.463,39 4.663,40 3.725,41 3.782,42 5.559,43 3.724,44 4.491,45 4.73,46 3.587,47 3.689,48 5.499,49 3.609,50 4.36,51 4.62,52 3.381,53 3.481,54 5.369,55 3.399,56 0.083,57 0.683,58 7.009,59 3.279,60 7.56,61 3.962,62 0.185,63 1.032,64 12.56,65 5.052,66 16.952,67 6.252,68 0.332,69 1.136,70 16.425,71 5.586,72 27.088,73 7.211,74 0.302,75 1.136,76 16.704,77 5.652,78 20.632,79 7.761,80 0.311,81 1.137,82 16.231,83 5.549,84 25.198,85 7.286,86 0.245,87 1.132,88 16.084,89 6.046,90 24.488,91 8.015,92 0.218,93 1.089,94 18.908,95 6.703,96 25.846,97 9.254,98 0.363,99 0.94,100 17.646,101 5.301,102 30.931,103 7.462,104 2,105 39,106 0.27,107 0.597,108 0.753,109 0.861,110 0.872,111 0.872,112 3.304,113 0.834,114 -5.36,115 -5.24,116 -4.9,119 45.2,120 1,142 9,143 1,146 1,147 2,148 1,151 1,152 2,155 1,166 1,168 1,172 7,174 2,175 9,178 1,180 1,183 8,187 3,188 7,196 5,199 1,200 7,203 3,205 1,208 5,212 3,213 6,216 1,218 1,221 6,224 2,225 7,230 2,233 5,238 7,243 3,246 3,249 2,250 7,255 2,263 1,264 6,269 1,276 1080,277 18.068,278 18.068,279 18.068,280 18.068,281 18.068,282 15.269,283 13.843,284 11.035,285 18.379,286 14.392,287 14.392,288 14.392,289 14.392,290 14.392,291 10.307,292 13.388,293 5.308,294 14.887,295 3.815,296 1.912,297 1.001,298 0.369,299 0.304,300 0.304,301 4.004,305 1,306 1,307 623,308 2.55,311 148.508,312 163.571,319 1.749,320 14.793,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 56,332 283,333 4.535,334 3.254,335 6.723,336 4.129,337 3.172,338 4.255,340 10.987,341 3.038,342 4.036,343 2.744,344 5.815,345 3.606,346 2.647,347 3.628,349 8.063,350 2.548,351 3.956,352 2.603,353 5.364,354 3.527,355 2.535,356 3.536,358 7.012,359 2.504,360 3.747,361 2.427,362 5.305,363 3.31,364 2.338,365 3.271,367 6.768,368 2.267,369 3.419,370 2.288,371 5.002,372 3.032,373 2.086,374 2.702,376 5.909,377 1.967,378 3.083,379 1.763,380 4.434,381 2.632,382 1.653,383 2.306,385 4.111,386 1.617,387 2.967,388 1.65,389 3.925,390 2.411,391 1.445,392 2.075,394 3.18,395 1.394,396 2.737,397 1.328,398 3.601,399 2.222,400 1.276,401 1.835,403 2.908,404 1.205,405 2.517,406 1.064,407 3.477,408 2,409 1.036,410 1.525,412 2.51,413 1,414 2.5,415 1,416 3.453,417 1.996,418 1,419 1.5,421 2.147,422 0.991,423 2.364,424 0.992,425 3.247,426 1.858,427 0.884,428 1.235,430 2.136,431 0.859,432 2.253,433 0.767,434 3.164,435 1.742,436 0.761,437 1.131,439 1.949,440 0.746,441 2.118,442 0.618,443 3,444 1.618,445 0.618,446 0.927,448 1.372,449 0.618,450 1.274,451 0.142,452 2.598,453 0.847,454 -0.098,455 -0.131,457 -0.239,458 -0.092,459 0.838,460 -0.323,461 2.51,462 0.428,463 -0.542,464 -0.715,466 -1.358,467 -0.518,468 12.233,469 0.471,470 0.465,471 0.018,472 39.25,473 1.51,474 22,475 0.846,476 17.25,477 0.663,478 15.98,479 0.615,480 26.167,481 0.623,482 27.206,483 1.046,484 8.124,485 0.312,486 4.669,487 0.18,488 0.041,490 0.278,496 0.793,497 1.184,498 0.684,499 1.018,500 0.793,501 0.868,502 1.018,503 1.187,504 0.826,505 1.035,506 0.884,507 0.926,508 1.181,509 1.088,510 1.073,511 0.958,512 1.116,513 0.989,514 0.782,515 1.066,516 0.897,517 0.925,518 0.749,519 0.916,520 1.001,521 0.9,522 0.975,523 0.843,524 1.003,525 0.882,526 0.869,527 1.154,528 1.101,529 1.153,530 1.023,531 1.155,532 0.931,533 1.177,534 1.007,535 1.127,536 0.969,537 1.086,538 1.083,539 0.912,540 1.104,541 0.878,542 1.225,543 0.96,544 4,545 0.094,546 2,547 1.382,548 1.078,549 0.716,550 0.348,551 0.261,552 0.15,553 0.067,554 8707,555 23834,556 2.172,557 38.1,559 9,560 1,561 2,562 1,563 3,567 1.69,568 2.108,569 3.412,570 -0.294,572 1,577 66.257,578 1.578,579 3.48,580 4.391,581 5.023,582 5.089,583 5.089,584 2.921,585 4.21,586 4.668,587 3.592,588 1167.31,589 8.089,590 14779.3,592 1,594 1,595 226.477,596 1.058,597 4.663,598 0.138,599 0.006,600 0.051,601 0.039,602 0.031,603 0.02,604 0.011,605 0.009,606 0.007,607 0.004,608 0.316,609 0.17,610 1,611 0.362,612 128.012,613 0.085,614 -0.067,615 0.072,616 -0.077,617 -0.028,618 -0.021,619 0.018,620 -0.109,621 0.022,622 -0.104,623 0.041,624 -0.056,625 -0.093,626 -0.038,627 -0.137,628 -0.037,629 -0.122,630 -0.088,631 0.101,632 -0.019,633 0.056,634 0.002,635 0.121,636 0.017,637 -0.046,638 0.167,639 -0.044,640 0.077,641 -0.017,642 0.028,643 -0.026,644 -0.129,645 -0.189,646 -0.201,647 -0.086,648 -0.216,649 -0.054,650 -0.245,651 0.01,652 -0.133,653 0.017,654 -0.065,655 -0.015,656 0.05,657 -0.032,658 0.073,659 -0.101,660 0.034,661 1.107,662 1.696,663 0.846,664 25.349,665 1.008,666 1.126,667 4.13,668 17.061,669 0.698,670 3.401,671 3.689,672 3.951,673 4.234,674 4.382,675 4.419,676 4.533,677 4.625,678 4.682,679 4.673,680 6.514,681 0.678,682 344.41,683 3.401,684 4.92,685 5.759,686 6.624,687 7.483,688 8.356,689 9.225,690 10.103,691 10.978,692 11.859,693 14.3,698 1,701 1,702 1,703 3,709 11,710 3,712 1,714 6,715 1,716 22,735 42,737 23,738 1,739 29,741 45,742 19,743 17,744 1,745 5,746 1,748 4,749 4,751 1,754 1,762 18,763 1,767 1,774 1,775 1,780 1,782 1,783 16,784 6,785 1,786 7,792 6,797 1,798 1,807 1,810 1,815 2,816 2,843 4,847 1,851 26,860 1,874 2.4,879 1,881 12.333,882 7.917,883 5.75,884 2.346,886 4.452,887 1.605,888 1.015,889 4.585,890 11.813,891 3.738,892 4.337,893 4.936,894 5.549,895 5.969,896 6.252,897 6.681,898 7.089,899 7.459,900 7.747,901 1,902 35,903 9.485,905 3.927,906 7.654,907 18.023,909 14.247,911 2.154,912 56,915 1,916 176.567,917 142.321,918 86.562,920 9.507,923 142.321,924 186.074,925 86.562,926 8.825,928 97.026,929 100.712,930 42.508,931 24.633,932 141.253,934 176.567,935 228.883,936 9.507,939 176.567,940 9.507,943 38.64,944 113.073,945 77.17,947 176.567,948 96.069,949 142.321,952 176.567,953 18.804,954 125.294,955 17.888,956 76.404,957 176.567,958 96.069,959 142.321,961 0.568,962 0.327,963 0.187,964 0.098,965 19,966 7,967 0.111,968 5,970 1,971 3.96,972 216.293,974 22,975 118.211,981 16.246,982 7.338,983 3.736,985 94.293,986 20.572,987 13.096,989 5.196,991 4.81,992 1.799,993 17.888,994 414.956,995 41,1002 1.579,1003 4.116,1007 42.356,1008 47.275,1009 0.293,1010 0.645,1011 0.814,1012 0.932,1013 0.944,1014 0.944,1015 4.931,1016 1.276,1017 5.707,1018 3.18,1019 4.369,1020 5.024,1022 6.475,1023 4.303,1024 6.127,1025 1.036,1026 7.226,1027 2.908,1028 3.761,1029 4.559,1031 7.273,1032 3.648,1033 7.41,1034 1,1035 8.849,1036 2.51,1037 5.905,1038 7.195,1040 10.41,1041 5.767,1042 8.733,1043 0.884,1044 10.537,1045 2.147,1046 6.196,1047 7.647,1049 12.137,1050 6.008,1051 10.089,1052 0.761,1053 12.271,1054 2.136,1055 7.735,1056 9.629,1058 14.767,1059 7.519,1060 11.47,1061 0.618,1062 14.038,1063 1.949,1064 8.456,1065 10.535,1067 16.882,1068 8.189,1069 12.872,1070 -0.098,1071 15.83,1072 1.372,1073 9.745,1074 12.221,1076 19.353,1077 9.445,1078 3.172,1079 -0.542,1080 17.641,1081 -0.239,1082 10.68,1083 13.369,1085 21.631,1086 10.329,1087 2.647,1088 10.987,1089 19.468,1090 -1.358,1091 11.868,1092 14.915,1094 24.05,1095 11.479,1096 2.535,1097 8.063,1098 21.308,1099 4.255,1100 12.91,1101 16.194,1103 26.397,1104 12.47,1105 2.338,1106 7.012,1107 23.159,1108 3.628,1109 14.061,1110 17.676,1112 28.8,1113 13.58,1114 2.086,1115 6.768,1116 25.018,1117 3.536,1118 15.155,1119 19.027,1121 31.175,1122 14.625,1123 1.653,1124 5.909,1125 26.885,1126 3.271,1127 16.297,1128 20.481,1130 33.573,1131 15.724,1132 1.445,1133 4.111,1134 28.758,1135 2.702,1136 17.417,1137 21.871,1139 35.96,1140 16.796,1141 8140,1142 13645,1143 20.167,1144 29.296,1145 43.703,1146 42.981,1147 43.09,1148 42.971,1149 42.901,1150 59.854,1152 118.106,1153 41.509,1154 5.271,1155 5.254,1156 6.525,1157 5.211,1158 5.172,1159 7.255,1161 18.159,1162 5.038,1163 6.492,1164 1.507,1165 1.482,1166 1.486,1167 1.482,1168 1.479,1169 2.064,1171 4.073,1172 1.431,1173 4.062,1174 4.11,1175 4.031,1176 3.938,1177 5.138,1178 3.951,1179 3.901,1180 3.919,1181 3.851,1182 3.74,1183 5.062,1184 3.763,1185 3.816,1186 3.856,1187 3.761,1188 3.684,1189 4.86,1190 3.701,1191 3.67,1192 3.726,1193 3.608,1194 3.515,1195 4.673,1196 3.531,1197 3.254,1198 3.345,1199 3.175,1200 2.988,1201 4.553,1202 3.02,1203 3.075,1204 3.168,1205 2.897,1206 2.901,1207 3.901,1208 2.889,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.776,1214 2.715,1215 2.793,1216 2.869,1217 2.681,1218 2.613,1219 3.679,1220 2.621,1221 0.156,1222 0.112,1223 0.232,1224 0.142,1225 0.109,1226 4.535,1227 0.147,1228 3.254,1230 6.723,1231 0.379,1232 4.129,1233 0.105,1234 3.172,1235 4.255,1237 10.987,1238 3.038,1239 1.923,1240 1.895,1241 2.03,1242 2.035,1243 1.122,1244 2.024,1245 1.758,1246 1.707,1247 1.833,1248 1.944,1249 0.84,1250 1.928,1251 1.545,1252 1.509,1253 1.755,1254 1.733,1255 0.829,1256 1.721,1257 1.536,1258 1.486,1259 1.687,1260 1.69,1261 0.734,1262 1.693,1263 1.362,1264 1.335,1265 1.512,1266 1.586,1267 0.483,1268 1.58,1269 1.237,1270 1.176,1271 1.381,1272 1.485,1273 0.417,1274 1.446,1275 0.895,1276 0.821,1277 1.181,1278 1.247,1279 0.218,1280 1.208,1281 0.886,1282 0.816,1283 1.104,1284 1.062,1285 0.07,1286 1.107,1287 4.078,1289 5.371,1290 3.045,1291 6.847,1292 5.283,1293 8.409,1294 7.273,1295 10.021,1297 1.955,1305 2.876,1314 28.477,1315 66.257,1316 146.174,1317 184.438,1318 210.968,1319 213.722,1320 213.722,1321 27.508,1322 7.361,1323 81.13,1324 81.13,1325 22,1326 12.396,1327 4.585,1328 3.7,1329 38.072,1330 99,1331 102,1332 0.183,1333 176.012,1334 289.97,1335 421.229,1336 16570,1338 17.769,1339 0.683,1340 0.541,1341 17.769,1342 14.073,1343 12.793,1344 0.441,1345 0.278,1346 7.936,1347 12.228,1348 7.756,1349 6.489,1350 12.793,1351 8.065,1352 11.176,1353 0.287,1354 0.143,1355 11.176,1356 5.596,1357 9.283,1358 0.182,1359 0.072,1360 9.283,1361 3.685,1362 7.999,1363 0.118,1364 0.037,1365 7.999,1366 2.539,1367 6.072,1368 0.077,1369 0.02,1370 6.072,1371 1.572,1372 0.289,1373 80.473,1374 0.223,1375 25.345,1376 0.497,1377 136,1378 414.294,1379 151.061,1380 405.243,1381 569.26,1382 382,1383 158,1384 442.263,1385 174.117,1386 444.645,1387 641.87,1388 418,1389 5.1}
{0 CHEMBL1999714,1 1.468,2 6.294,3 2.821,4 7.958,5 66.782,6 7.734,7 0.632,8 3.483,9 3.599,10 3.093,11 3.102,12 4.625,13 3.081,14 3.959,15 4.103,16 3.461,17 3.483,18 5.098,19 3.444,20 4.25,21 4.42,22 3.606,23 3.645,24 5.381,25 3.598,26 4.315,27 4.537,28 3.441,29 3.536,30 5.46,31 3.464,32 4.149,33 4.38,34 3.149,35 3.357,36 5.253,37 3.265,38 3.817,39 4.05,40 2.709,41 3.044,42 4.88,43 2.914,44 3.582,45 3.844,46 2.083,47 2.698,48 4.5,49 2.495,50 2.93,51 3.21,52 1.397,53 2.115,54 3.62,55 1.873,56 0.021,57 0.411,58 5.343,59 2.436,60 4.028,61 3.086,62 0.068,63 0.65,64 9.315,65 4.194,66 9.465,67 5.515,68 0.092,69 0.878,70 13.335,71 5.395,72 16.009,73 6.999,74 0.19,75 0.897,76 16.173,77 5.789,78 28.118,79 7.709,80 0.181,81 0.724,82 14.292,83 5.147,84 31.612,85 6.651,86 0.102,87 0.507,88 10.066,89 3.939,90 20.168,91 5.2,92 0.105,93 0.373,94 8.584,95 3.401,96 22.592,97 4.519,98 0.017,99 0.198,100 4.213,101 1.838,102 4.855,103 2.652,104 5,105 27,106 0.28,107 0.579,108 0.713,109 0.868,110 0.894,111 0.894,112 2.911,113 0.872,114 -3.5,115 -3.48,116 -3.32,119 48.3,120 1,142 7,143 2,144 3,158 1,172 8,175 1,178 1,180 5,183 8,188 1,192 1,193 7,196 4,200 3,203 1,205 6,208 3,213 3,218 2,221 7,225 2,233 8,246 5,258 2,276 184,277 11.516,278 11.516,279 11.516,280 11.516,281 11.516,282 9.897,283 17.388,284 6.756,285 11.598,286 9.393,287 9.393,288 9.393,289 9.393,290 9.393,291 6.947,292 29.596,293 3.229,294 9.527,295 3.39,296 1.821,297 1.117,298 0.302,299 0.164,300 0.164,301 3.59,305 1,306 1,307 234,308 1.732,312 57.486,313 29.082,317 99.482,319 0.934,320 12.496,323 1,324 0.83,325 1,326 0.6,328 1,329 1,330 0.78,331 36,332 107,333 4.43,334 3.621,335 6.514,336 4.08,337 3.099,338 4.046,339 1.058,340 10.226,341 3.039,342 4.139,343 2.979,344 6.098,345 3.726,346 2.733,347 3.781,348 0.4,349 8.88,350 2.709,351 3.471,352 2.674,353 5.186,354 3.126,355 2.143,356 2.773,358 6.266,359 2.099,360 3.452,361 2.312,362 4.938,363 3.079,364 2.09,365 2.699,367 5.729,368 2.061,369 2.927,370 1.714,371 4.232,372 2.48,373 1.489,374 2.102,376 3.758,377 1.473,378 2.778,379 1.413,380 3.859,381 2.327,382 1.339,383 1.895,385 3.173,386 1.321,387 2.529,388 1.303,389 3.565,390 2.014,391 1,392 1.478,394 2.481,395 1.009,396 1.644,397 0.675,398 3.012,399 1.307,400 0.329,401 0.409,403 0.806,404 0.32,405 1.156,406 0.286,407 2.784,408 0.853,409 -0.109,410 -0.131,412 -0.291,413 -0.104,414 0.964,415 -0.027,416 2.353,417 0.58,418 -0.433,419 -0.551,421 -1.045,422 -0.434,423 0.651,424 -0.417,425 2,426 0.202,427 -0.817,428 -1.155,430 -1.972,431 -0.826,432 0.471,433 -0.842,434 2,435 0.012,436 -1,437 -1.314,439 -2.523,440 -0.986,441 0.347,442 -0.887,443 1.731,444 -0.013,445 -1,446 -1.467,448 -2.899,449 -1.014,450 -0.07,451 -1.246,452 1.425,453 -0.393,454 -1.385,455 -1.854,457 -3.623,458 -1.372,459 -0.297,460 -1.427,461 1.176,462 -0.611,463 -1.625,464 -2.183,466 -4.747,467 -1.647,468 8.133,469 0.478,470 0.435,471 0.026,472 25.25,473 1.485,474 14.5,475 0.853,476 10.75,477 0.632,478 9.736,479 0.573,480 17.067,481 0.589,482 15.669,483 0.922,484 5.064,485 0.298,486 3.173,487 0.187,488 0.102,490 0.369,496 0.769,497 1.041,498 0.755,499 0.851,500 0.584,501 0.798,502 0.532,503 1.184,504 0.752,505 1.006,506 0.511,507 0.925,508 0.978,509 1.266,510 0.968,511 1.116,512 0.87,513 1.05,514 1.19,515 1.043,516 1.025,517 0.997,518 1.072,519 0.981,520 1.557,521 0.79,522 1.117,523 0.854,524 1.586,525 0.915,526 1.204,527 0.848,528 1.177,529 1.037,530 1.272,531 1.094,532 1.282,533 0.841,534 1.265,535 1.054,536 1.706,537 1.167,538 0.151,539 1.063,540 1.131,541 1.327,542 0.223,543 1.361,544 3.5,546 2,547 1.188,548 1.301,549 0.368,550 0.246,551 0.077,552 0.031,554 2165,555 5451,556 2.127,557 41.4,558 3,559 7,562 2,567 1.576,568 2,569 2.694,570 0.353,572 1,573 1,574 1,577 42.559,578 1.468,579 3.037,580 3.741,581 4.556,582 4.694,583 4.694,584 1.971,585 3.337,586 4.065,587 2.727,588 370.835,589 6.902,590 3216.23,592 1,594 1,595 140.881,596 1.379,597 4.023,598 0.184,600 0.074,601 0.04,602 0.054,603 0.02,604 0.022,605 0.015,606 0.016,608 0.426,609 1,610 1,611 0.604,612 67.81,613 -0.082,614 0.038,615 0.026,616 0.071,617 -0.088,618 0.068,619 0.181,620 -0.161,621 0.082,622 -0.064,623 0.079,624 -0.02,625 -0.012,626 -0.226,627 -0.075,628 -0.2,629 -0.042,630 -0.159,631 0.002,632 -0.033,633 -0.027,634 -0.067,635 0.054,636 -0.048,637 -0.235,638 0.169,639 -0.09,640 0.109,641 -0.135,642 0.047,643 -0.159,644 0.065,645 -0.176,646 -0.047,647 -0.081,648 -0.098,649 -0.192,650 -0.026,651 -0.206,652 -0.015,653 -0.27,654 -0.106,655 0.113,656 -0.247,657 -0.133,658 -0.276,659 0.036,660 -0.247,661 1.738,662 5.028,663 0.882,664 8.401,665 0.998,666 1.113,667 2.272,668 5.162,669 0.699,670 2.996,671 3.332,672 3.611,673 3.892,674 4.159,675 4.248,676 4.317,677 4.394,678 4.431,679 4.394,680 3.835,681 0.669,682 224.28,683 2.996,684 4.533,685 5.389,686 6.275,687 7.149,688 8.038,689 8.918,690 9.808,691 10.69,692 11.58,693 6.9,700 1,701 1,709 7,714 5,716 12,723 1,728 1,735 29,737 13,738 2,739 19,741 31,742 14,743 12,744 5,745 7,746 1,748 3,749 6,754 1,762 13,763 1,767 1,772 1,776 1,780 1,783 12,784 3,785 2,786 3,792 2,797 0.333,798 1,816 2,817 1,821 2,843 1,847 1,851 17,860 2,874 3.4,877 1,881 8.5,882 5.5,883 3.667,884 1.674,886 2.582,887 1.39,888 1.041,889 2.286,890 9.21,891 3.296,892 3.912,893 4.477,894 5.042,895 5.588,896 5.768,897 6.099,898 6.478,899 6.82,900 7.102,901 0.6,902 30,903 6.265,905 2.695,906 7.735,907 11.947,909 9.886,911 2.235,912 38,913 0.002,916 117.711,917 94.505,918 36.022,920 25.145,923 94.505,924 142.856,925 36.022,926 8.825,927 18.011,928 66.334,929 29.85,930 32.652,932 117.711,934 117.711,935 130.526,936 25.145,939 117.711,940 25.145,943 44.847,944 85.68,947 117.711,948 61.166,949 94.505,952 117.711,953 19.346,954 75.159,955 36.022,956 25.145,957 117.711,958 61.166,959 94.505,961 0.587,962 0.344,963 0.192,964 0.111,965 15,966 6,969 2,970 1.267,971 2.883,972 126.526,973 0.267,974 15,975 69.487,981 10.209,982 3.807,983 1.756,985 61.166,986 13.463,991 4.38,993 36.022,994 273.382,995 26,1000 12.028,1004 -0.072,1007 28.949,1008 32.282,1009 0.302,1010 0.625,1011 0.77,1012 0.938,1013 0.966,1014 0.966,1015 4.522,1016 0.329,1017 5.38,1018 2.481,1019 4.007,1020 4.595,1021 1.27,1022 6.196,1023 3.978,1024 5.738,1025 -0.109,1026 6.94,1027 0.806,1028 3.611,1029 4.388,1031 7.081,1032 3.575,1033 7.049,1034 -0.433,1035 8.6,1036 -0.291,1037 5.602,1038 6.782,1039 1.27,1040 10.188,1041 5.537,1042 8.393,1043 -0.817,1044 10.316,1045 -1.045,1046 5.994,1047 7.345,1049 11.885,1050 5.92,1051 9.764,1052 -1,1053 12.069,1054 -1.972,1055 7.473,1056 9.229,1057 1.34,1058 14.495,1059 7.374,1060 11.157,1061 -1,1062 13.847,1063 -2.523,1064 8.241,1065 10.168,1067 16.534,1068 8.129,1069 12.565,1070 -1.385,1071 15.643,1072 -2.899,1073 9.504,1074 11.818,1075 1.423,1076 18.959,1077 9.371,1078 3.099,1079 -1.625,1080 17.453,1081 -3.623,1082 10.456,1083 12.955,1085 21.147,1086 10.306,1087 2.733,1088 10.226,1089 19.272,1090 -4.747,1091 11.628,1092 14.484,1093 1.51,1094 23.5,1095 11.459,1096 2.143,1097 8.88,1098 21.1,1099 4.046,1100 12.667,1101 15.728,1103 25.755,1104 12.479,1105 2.09,1106 6.266,1107 22.933,1108 3.781,1109 13.803,1110 17.192,1111 1.599,1112 28.082,1113 13.595,1114 1.489,1115 5.729,1116 24.772,1117 2.773,1118 14.884,1119 18.496,1121 30.367,1122 14.656,1123 1.339,1124 3.758,1125 26.615,1126 2.699,1127 16.007,1128 19.924,1129 1.69,1130 32.685,1131 15.76,1132 1,1133 3.173,1134 28.461,1135 2.102,1136 17.108,1137 21.263,1139 34.986,1140 16.84,1141 2122,1142 3451,1143 12.83,1144 20.273,1145 28.845,1146 29.518,1147 29.336,1148 28.446,1149 28.444,1150 38.368,1151 2.917,1152 82.637,1153 28.063,1154 5.256,1155 5.621,1156 6.195,1157 5.08,1158 5.099,1159 7.046,1160 2.117,1161 16.988,1162 5.039,1163 6.559,1164 1.518,1165 1.554,1166 1.544,1167 1.497,1168 1.497,1169 2.019,1170 0.154,1171 4.349,1172 1.477,1173 4.031,1174 4.062,1175 3.987,1176 3.943,1177 7.429,1178 3.949,1179 3.817,1180 3.845,1181 3.754,1182 3.768,1183 4.83,1184 3.761,1185 3.341,1186 3.39,1187 3.268,1188 3.142,1189 4.638,1190 3.16,1191 3.194,1192 3.261,1193 3.069,1194 3.004,1195 4.055,1196 3.013,1197 2.899,1198 2.987,1199 2.74,1200 2.74,1201 3.904,1202 2.727,1203 2.841,1204 2.9,1205 2.705,1206 2.718,1207 3.67,1208 2.711,1209 2.624,1210 2.697,1211 2.467,1212 2.378,1213 3.561,1214 2.398,1215 2.445,1216 2.539,1217 2.207,1218 2.253,1219 3.225,1220 2.231,1221 0.233,1222 0.191,1223 0.343,1224 0.215,1225 0.163,1226 4.43,1227 0.213,1228 3.621,1229 0.056,1230 6.514,1231 0.538,1232 4.08,1233 0.16,1234 3.099,1235 4.046,1236 1.058,1237 10.226,1238 3.039,1239 1.927,1240 1.899,1241 2.031,1242 2.021,1243 1.152,1244 2.026,1245 1.886,1246 1.862,1247 1.99,1248 1.982,1249 1.085,1250 1.984,1251 1.278,1252 1.221,1253 1.546,1254 1.528,1255 0.623,1256 1.527,1257 1.167,1258 1.116,1259 1.338,1260 1.395,1261 0.336,1262 1.392,1263 0.9,1264 0.828,1265 1.176,1266 1.128,1267 0.227,1268 1.154,1269 0.85,1270 0.794,1271 1.101,1272 1.024,1273 0.174,1274 1.054,1275 0.608,1276 0.519,1277 0.949,1278 0.876,1280 0.909,1281 0.294,1282 0.239,1283 0.653,1284 0.554,1286 0.595,1287 3.664,1289 4.99,1291 6.515,1292 2.708,1293 8.128,1294 5.38,1295 9.784,1297 2.004,1305 6.195,1314 19.392,1315 42.559,1316 88.069,1317 108.475,1318 132.127,1319 136.127,1320 136.127,1321 20.139,1322 6.628,1323 48.65,1324 48.65,1325 19,1326 12.111,1327 3.807,1328 3,1329 23.533,1330 44,1331 33,1332 0.312,1333 119.976,1334 204.19,1335 284.502,1336 5763,1338 11.828,1339 0.696,1340 0.556,1341 11.828,1342 9.45,1343 8.237,1344 0.434,1345 0.291,1346 5.472,1347 8.048,1348 5.306,1349 4.436,1350 8.237,1351 5.52,1352 7.595,1353 0.281,1354 0.155,1355 7.595,1356 4.174,1357 6.381,1358 0.177,1359 0.08,1360 6.381,1361 2.864,1362 5.48,1363 0.114,1364 0.042,1365 5.48,1366 1.995,1367 4.65,1368 0.074,1369 0.022,1370 4.65,1371 1.408,1372 0.455,1373 50.817,1374 0.279,1375 16.487,1376 0.963,1377 92,1378 244.401,1379 98.322,1380 243.945,1381 339.41,1382 228,1383 109,1384 256.143,1385 115.517,1386 263.16,1387 384.59,1388 248,1389 5.1}
{0 CHEMBL1999718,1 1.862,2 11.615,3 2.919,4 8.52,5 86.281,6 9.926,7 0.607,8 3.734,9 3.834,10 3.51,11 3.279,12 5.123,13 3.332,14 4.22,15 4.341,16 3.957,17 3.626,18 6.093,19 3.674,20 4.399,21 4.558,22 3.923,23 3.72,24 5.85,25 3.753,26 4.463,27 4.654,28 3.856,29 3.607,30 5.995,31 3.648,32 4.345,33 4.541,34 3.75,35 3.444,36 5.91,37 3.499,38 4.168,39 4.343,40 3.635,41 3.313,42 5.723,43 3.376,44 4.094,45 4.279,46 3.563,47 3.259,48 5.699,49 3.316,50 4.003,51 4.185,52 3.411,53 3.232,54 5.584,55 3.256,56 0.243,57 0.798,58 3,59 2.758,60 37.573,61 2.337,62 0.869,63 1.542,64 6.669,65 4.666,66 138.542,67 4.081,68 0.613,69 1.345,70 9.618,71 5.458,72 81.692,73 5.129,74 0.889,75 1.362,76 13.724,77 6.066,78 136.874,79 5.661,80 0.84,81 1.143,82 13.547,83 5.115,84 122.267,85 5.038,86 0.63,87 0.983,88 10.41,89 4.547,90 93.823,91 4.427,92 0.68,93 0.997,94 10.082,95 4.043,96 90.426,97 3.759,98 0.604,99 0.884,100 8.938,101 4.142,102 110.293,103 3.807,104 30,105 40,106 0.331,107 0.66,108 0.789,109 0.885,110 0.895,111 0.895,112 3.304,113 0.779,114 -3.64,115 -3.61,116 -3.44,119 47.2,132 1,142 6,143 3,144 1,145 2,146 1,147 1,158 1,159 1,172 6,175 6,178 3,179 1,180 3,183 6,188 4,193 2,196 3,199 2,200 5,203 2,205 6,208 2,213 2,218 3,221 1,224 1,225 5,228 2,230 3,233 2,238 2,243 1,246 3,249 2,250 3,253 1,258 5,264 2,272 4,276 1040,277 17.082,278 17.082,279 17.082,280 17.082,281 17.082,282 14.891,283 19.502,284 9.888,285 17.559,286 13.766,287 13.766,288 13.766,289 13.766,290 13.766,291 10.335,292 24.828,293 4.628,294 14.614,295 3.308,296 1.452,297 0.73,298 0.188,299 0.132,300 0.132,301 3.982,304 1,305 1,306 1,307 637,308 3.873,312 226.083,316 118.409,319 1.769,320 48.018,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 60,332 302,333 4.584,334 4.461,335 7.121,336 4.216,337 3.335,338 4.476,339 3.825,340 11.72,341 3.052,342 4.309,343 4.057,344 6.507,345 3.951,346 3.005,347 3.699,348 2.035,349 10.203,350 2.746,351 4.114,352 3.569,353 5.566,354 3.648,355 2.689,356 3.61,357 1.656,358 7.601,359 2.58,360 3.789,361 3.034,362 5.331,363 3.361,364 2.386,365 3.04,366 0.247,367 6.812,368 2.31,369 3.536,370 2.634,371 5.155,372 3.054,373 2.102,374 2.816,376 6.309,377 1.987,378 3.283,379 2.237,380 4.697,381 2.77,382 1.79,383 2.469,385 5.044,386 1.735,387 3.109,388 2.187,389 4.524,390 2.594,391 1.647,392 2.372,394 4.45,395 1.547,396 2.928,397 1.801,398 4.136,399 2.34,400 1.385,401 1.927,403 3.656,404 1.295,405 2.811,406 1.499,407 3.414,408 1.959,409 1,410 1.5,412 2.275,413 0.957,414 2.5,415 1.043,416 3.396,417 1.889,418 0.92,419 1.308,421 2.187,422 0.888,423 2.367,424 1,425 3.014,426 1.52,427 0.581,428 1.071,430 0.975,431 0.544,432 1.371,433 0.704,434 2.847,435 0.969,436 0.036,437 0.046,439 0.085,440 0.033,441 1.289,442 0.51,443 2.675,444 0.756,445 -0.227,446 -0.33,448 -0.483,449 -0.22,450 1,451 0.51,452 2.378,453 0.525,454 -0.446,455 -0.622,457 -1.174,458 -0.431,459 0.76,460 0.378,461 2.268,462 0.269,463 -0.717,464 -1,466 -1.902,467 -0.692,468 11.69,469 0.45,470 0.808,471 0.031,472 38.75,473 1.49,474 21.5,475 0.827,476 17.25,477 0.663,478 15.777,479 0.607,480 27.31,481 0.759,482 30.585,483 1.176,484 7.897,485 0.304,486 4.467,487 0.172,488 0.136,489 0.043,490 0.299,493 3,496 0.631,497 0.957,498 0.561,499 0.92,500 0.595,501 0.778,502 0.393,503 0.724,504 0.639,505 0.924,506 0.396,507 0.946,508 0.767,509 0.978,510 0.915,511 1.094,512 0.649,513 1.091,514 1.099,515 1.013,516 1.194,517 1.071,518 1.068,519 1.134,520 1.029,521 0.843,522 1.061,523 0.956,524 1.03,525 0.99,526 0.988,527 0.948,528 0.917,529 1.037,530 0.989,531 0.989,532 1.106,533 0.89,534 1.068,535 0.878,536 1.145,537 0.918,538 1.17,539 0.951,540 1.236,541 0.95,542 1.125,543 1.059,544 7,545 0.173,546 3.111,547 1.75,548 1.569,549 0.993,550 0.629,551 0.373,552 0.238,553 0.149,554 8004,555 34913,556 2.005,557 27.8,559 6,561 2,562 2,567 1.687,568 1.846,569 3.466,570 0.365,571 1,572 1,574 1,577 67.047,578 1.862,579 3.718,580 4.44,581 4.982,582 5.038,583 5.038,584 2.903,585 4.21,586 4.669,587 3.648,588 1185.71,589 8.075,590 15011,591 1,592 1,593 1,594 1,595 186.117,596 1.648,597 4.606,598 0.25,599 0.012,600 0.078,601 0.044,602 0.045,603 0.032,604 0.022,605 0.014,606 0.01,607 0.007,608 0.514,609 0.5,610 1,611 0.923,612 128.482,613 -0.077,614 -0.091,615 -0.008,616 -0.008,617 -0.083,618 0.03,619 0.451,620 0.298,621 0.071,622 0.022,623 0.386,624 -0.119,625 -0.112,626 -0.203,627 -0.089,628 -0.175,629 -0.027,630 -0.136,631 -0.165,632 -0.094,633 -0.174,634 -0.114,635 -0.149,636 -0.129,637 -0.084,638 -0.011,639 0.016,640 -0.005,641 -0.096,642 0.045,643 -0.094,644 -0.187,645 0.11,646 -0.084,647 -0.083,648 0.039,649 -0.082,650 0.069,651 -0.032,652 0.097,653 -0.136,654 0.079,655 -0.169,656 0.059,657 -0.229,658 0.06,659 -0.146,660 -0.043,661 5.724,662 5.079,663 0.615,664 24.923,665 1.053,666 1.149,667 2.411,668 5.811,669 0.704,670 3.367,671 3.714,672 3.912,673 4.127,674 4.369,675 4.431,676 4.543,677 4.533,678 4.595,679 4.5,680 6.689,681 0.724,682 357.32,683 3.367,684 4.92,685 5.753,686 6.635,687 7.487,688 8.37,689 9.232,690 10.115,691 10.982,692 11.866,693 13.9,700 2,702 1,703 2,708 2,709 8,710 2,714 4,716 17,718 1,735 36,737 19,738 1,739 28,741 38,742 17,743 14,744 3,745 3,748 3,749 4,753 1,754 1,759 1,761 1,762 15,763 1,767 1,772 1,776 1,779 1,780 1,781 3,783 10,784 9,785 2,786 9,792 5,797 0.667,798 1,809 2,816 3,820 1,843 2,849 3,851 26,860 2,865 1,866 1,870 1,872 1,873 3,874 2.8,877 1,881 14.083,882 6.612,883 5.639,884 1.932,886 3.499,887 1.486,888 1,889 4.644,890 10.702,891 3.701,892 4.304,893 4.885,894 5.469,895 6.057,896 6.354,897 6.718,898 6.987,899 7.277,900 7.223,901 0.875,902 40,903 9.994,905 4.753,906 8.554,907 16.872,909 13.435,911 3.054,912 79.417,916 94.169,917 119.762,918 100.652,920 25.145,921 44.88,923 119.762,924 119.314,925 145.532,927 36.022,928 56.857,929 98.86,930 107.88,931 6.604,932 70.627,933 7.76,934 94.169,935 220.414,936 70.025,939 94.169,940 70.025,943 95.079,944 91.764,945 33.571,947 139.049,948 125.797,949 119.762,952 101.928,953 20.449,954 74.952,955 52.623,956 134.656,957 94.169,958 170.677,959 119.762,961 0.59,962 0.329,963 0.165,964 0.093,965 19,966 9,967 0.053,968 2,969 1,970 1.125,971 3.752,972 211.762,973 0.125,974 16,975 117.457,981 17.509,982 6.896,983 4.037,984 0.47,985 170.677,986 10.119,987 7.812,991 0.048,993 36.022,994 384.608,995 39.5,1000 12.079,1004 -0.63,1007 37.909,1008 41.381,1009 0.36,1010 0.719,1011 0.859,1012 0.964,1013 0.974,1014 0.974,1015 4.951,1016 1.385,1017 5.784,1018 4.45,1019 4.394,1020 4.99,1021 3.524,1022 6.619,1023 4.282,1024 6.199,1025 1,1026 7.37,1027 3.656,1028 4.205,1029 4.879,1030 3.949,1031 7.781,1032 3.939,1033 7.529,1034 0.92,1035 9.066,1036 2.275,1037 6.071,1038 7.236,1039 5.6,1040 10.76,1041 5.822,1042 8.891,1043 0.581,1044 10.829,1045 2.187,1046 6.648,1047 7.898,1048 6.701,1049 12.715,1050 6.231,1051 10.28,1052 0.036,1053 12.636,1054 0.975,1055 8.062,1056 9.77,1057 8.109,1058 15.307,1059 7.639,1060 11.69,1061 -0.227,1062 14.475,1063 0.085,1064 8.972,1065 10.821,1066 9.391,1067 17.562,1068 8.395,1069 13.116,1070 -0.446,1071 16.337,1072 -0.483,1073 10.225,1074 12.478,1075 10.748,1076 20.043,1077 9.608,1078 3.335,1079 -0.717,1080 18.217,1081 -1.174,1082 11.284,1083 13.738,1084 12.075,1085 22.412,1086 10.534,1087 3.005,1088 11.72,1089 20.112,1090 -1.902,1091 12.48,1092 15.296,1093 13.42,1094 24.862,1095 11.667,1096 2.689,1097 10.203,1098 22.017,1099 4.476,1100 13.606,1101 16.667,1102 14.758,1103 27.275,1104 12.676,1105 2.386,1106 7.601,1107 23.932,1108 3.699,1109 14.787,1110 18.182,1111 16.101,1112 29.719,1113 13.779,1114 2.102,1115 6.812,1116 25.853,1117 3.61,1118 15.943,1119 19.611,1120 17.441,1121 32.151,1122 14.83,1123 1.79,1124 6.309,1125 27.781,1126 3.04,1127 17.123,1128 21.11,1129 18.783,1130 34.596,1131 15.923,1132 1.647,1133 5.044,1134 29.714,1135 2.816,1136 18.295,1137 22.57,1138 20.124,1139 37.038,1140 16.996,1141 7885,1142 16623,1143 18.087,1144 25.341,1145 43.624,1146 44.533,1147 42.865,1148 41.916,1149 41.75,1150 56.669,1151 15.526,1152 122.631,1153 39.348,1154 5.453,1155 6.461,1156 6.673,1157 5.27,1158 5.335,1159 7.476,1160 5.86,1161 18.84,1162 5.052,1163 14.884,1164 1.558,1165 1.59,1166 1.531,1167 1.497,1168 1.491,1169 2.024,1170 0.555,1171 4.38,1172 1.405,1173 4.086,1174 4.114,1175 4.056,1176 4.008,1177 8.513,1178 4.015,1179 3.895,1180 3.935,1181 3.854,1182 3.781,1183 7.999,1184 3.793,1185 3.612,1186 3.651,1187 3.596,1188 3.443,1189 7.999,1190 3.463,1191 3.419,1192 3.465,1193 3.395,1194 3.153,1195 7.431,1196 3.204,1197 3.165,1198 3.218,1199 3.127,1200 2.937,1201 6.82,1202 2.962,1203 3.121,1204 3.178,1205 3.086,1206 2.875,1207 4.98,1208 2.929,1209 2.909,1210 2.963,1211 2.837,1212 2.723,1213 4.855,1214 2.744,1215 2.76,1216 2.847,1217 2.622,1218 2.546,1219 4.328,1220 2.559,1221 0.164,1222 0.159,1223 0.254,1224 0.151,1225 0.119,1226 4.584,1227 0.16,1228 4.461,1229 0.137,1230 7.121,1231 0.419,1232 4.216,1233 0.109,1234 3.335,1235 4.476,1236 3.825,1237 11.72,1238 3.052,1239 2.039,1240 2.016,1241 2.101,1242 2.133,1243 1.233,1244 2.124,1245 1.843,1246 1.808,1247 1.928,1248 1.982,1249 0.944,1250 1.967,1251 1.522,1252 1.487,1253 1.638,1254 1.721,1255 0.706,1256 1.685,1257 1.27,1258 1.224,1259 1.38,1260 1.559,1261 0.297,1262 1.506,1263 1.046,1264 0.995,1265 1.203,1266 1.307,1267 0.238,1268 1.254,1269 0.973,1270 0.933,1271 1.118,1272 1.246,1273 0.09,1274 1.198,1275 0.832,1276 0.786,1277 0.979,1278 1.065,1279 0.067,1280 1.057,1281 0.72,1282 0.637,1283 0.953,1284 0.98,1286 0.991,1287 4.043,1289 5.38,1291 6.907,1293 8.517,1295 10.172,1299 38.365,1305 5.015,1310 -4.474,1312 8.71,1313 1.905,1314 26.079,1315 67.047,1316 133.853,1317 159.853,1318 179.362,1319 181.362,1320 181.362,1321 61.743,1322 7.203,1323 90.7,1324 90.7,1325 18,1326 12.403,1327 4.322,1328 3.644,1329 44.548,1330 103,1331 118,1332 0.21,1333 161.021,1334 285.84,1335 384.651,1336 12943,1337 8.3,1338 18.734,1339 0.721,1340 0.5,1341 16.234,1342 13.003,1343 12.364,1344 0.442,1345 0.26,1346 7.105,1347 11.692,1348 7.04,1349 5.796,1350 11.152,1351 7.268,1352 11.862,1353 0.297,1354 0.13,1355 9.905,1356 5.211,1357 9.006,1358 0.184,1359 0.07,1360 8.043,1361 3.452,1362 7.233,1363 0.119,1364 0.037,1365 6.681,1366 2.237,1367 5.884,1368 0.075,1369 0.019,1370 5.422,1371 1.484,1372 0.334,1373 79.087,1374 0.235,1375 25.324,1376 0.565,1377 136,1378 647.67,1379 163.696,1380 550.112,1381 709.52,1382 506,1383 157,1384 491.481,1385 177.297,1386 480.011,1387 712.98,1388 449,1389 5.1}
{0 CHEMBL1999749,1 1.454,2 17.902,3 5.979,4 35.744,5 160.496,6 7.462,7 0.617,8 4.403,9 4.51,10 3.987,11 3.984,12 5.48,13 3.964,14 4.925,15 5.08,16 4.319,17 4.375,18 5.939,19 4.333,20 5.168,21 5.357,22 4.367,23 4.501,24 6.126,25 4.423,26 5.23,27 5.46,28 4.293,29 4.472,30 6.15,31 4.376,32 5.189,33 5.411,34 4.283,35 4.476,36 6.132,37 4.382,38 5.151,39 5.366,40 4.273,41 4.477,42 6.084,43 4.378,44 5.154,45 5.384,46 4.223,47 4.409,48 6.094,49 4.31,50 5.059,51 5.287,52 4.134,53 4.309,54 6.009,55 4.217,56 0.043,57 1.021,58 14.716,59 6.762,60 13.92,61 8.556,62 0.259,63 1.697,64 27.38,65 11.179,66 32.813,67 14.343,68 0.342,69 2.078,70 36.855,71 14.853,72 42.809,73 19.714,74 0.433,75 2.179,76 41.849,77 15.873,78 51.662,79 21.601,80 0.497,81 2.088,82 39.88,83 15.24,84 54.938,85 20.585,86 0.281,87 2.049,88 36.97,89 15.063,90 41.873,91 20.608,92 0.331,93 2.038,94 38.325,95 14.742,96 50.438,97 20.304,98 0.345,99 1.861,100 34.888,101 12.969,102 45.101,103 17.765,104 9,105 67,106 0.222,107 0.545,108 0.731,109 0.847,110 0.864,111 0.864,112 3.741,113 0.896,114 -5.76,115 -5.62,116 -5.24,119 46.6,122 3,124 1,125 4,142 15,143 4,144 4,146 1,147 1,148 1,172 19,174 1,175 10,178 1,180 4,183 19,187 1,188 11,193 4,196 16,200 9,203 2,205 2,208 15,213 7,216 2,218 2,221 20,224 1,225 10,230 2,233 18,237 1,238 10,243 5,246 12,249 1,250 7,255 5,258 9,263 1,264 6,269 3,272 13,276 3971,277 28.737,278 28.737,279 28.737,280 28.737,281 28.737,282 25.342,283 30.181,284 16.801,285 29.32,286 23.161,287 23.161,288 23.161,289 23.161,290 23.161,291 18.077,292 43.862,293 7.882,294 24.053,295 4.736,296 2.622,297 1.402,298 0.644,299 0.531,300 0.531,301 4.465,307 1666,308 3.464,309 75.413,311 117.623,312 800.445,316 202.833,319 2.978,320 27.332,323 0.5,324 0.5,325 0.67,326 0.7,327 0.5,328 0.83,329 1,330 0.67,331 87,332 734,333 4.55,334 3.446,335 7.068,336 4.375,337 3.384,338 4.483,339 0.916,340 12.231,341 3.354,342 4.386,343 3.274,344 6.556,345 4.085,346 3.108,347 3.929,348 0.86,349 10.413,350 3.043,351 4.287,352 3.138,353 6.198,354 3.876,355 2.929,356 3.783,357 0.86,358 9.287,359 2.782,360 4.157,361 2.913,362 6.099,363 3.765,364 2.782,365 3.43,366 0.4,367 8.906,368 2.719,369 3.88,370 2.765,371 5.547,372 3.482,373 2.518,374 3.388,375 0.172,376 7.576,377 2.435,378 3.769,379 2.69,380 5.441,381 3.434,382 2.473,383 3.176,385 7.223,386 2.368,387 3.6,388 2.446,389 5.294,390 3.205,391 2.255,392 2.968,394 6.708,395 2.135,396 3.333,397 2.247,398 5.026,399 2.987,400 2.038,401 2.677,403 5.997,404 1.923,405 3.195,406 1.99,407 4.991,408 2.851,409 1.893,410 2.36,412 5.683,413 1.809,414 3,415 1.963,416 4.4,417 2.546,418 1.611,419 2.138,421 4.26,422 1.497,423 2.966,424 1.592,425 4.335,426 2.513,427 1.553,428 2.132,430 4.1,431 1.491,432 2.811,433 1.491,434 4.247,435 2.346,436 1.371,437 1.942,439 3.387,440 1.331,441 2.786,442 1.458,443 4.079,444 2.278,445 1.315,446 1.91,448 3.144,449 1.262,450 2.5,451 1.328,452 4.042,453 2,454 1.05,455 1.5,457 3.01,458 1,459 2.5,460 1.077,461 3.589,462 2,463 1,464 1.5,466 2.47,467 1,468 19.6,469 0.478,470 0.838,471 0.02,472 56.5,473 1.378,474 29.5,475 0.72,476 27,477 0.659,478 34.786,479 0.848,480 42.2,481 0.578,482 45.491,483 1.11,484 11.017,485 0.269,486 9.161,487 0.223,488 0.043,490 0.352,496 0.912,497 1.188,498 0.778,499 1.003,500 0.897,501 0.893,502 1.149,503 1.007,504 0.961,505 0.95,506 0.915,507 0.931,508 0.979,509 1.189,510 1.024,511 1.126,512 0.788,513 1.088,514 1.006,515 0.98,516 0.959,517 0.953,518 0.904,519 0.95,520 1.048,521 0.886,522 0.972,523 0.861,524 1.071,525 0.901,526 0.734,527 1.07,528 0.964,529 1.05,530 0.617,531 1.037,532 0.865,533 1.071,534 0.948,535 1.009,536 0.836,537 0.99,538 1.004,539 0.997,540 0.999,541 0.973,542 0.815,543 0.973,544 7.5,545 0.312,546 4.833,547 2.194,548 2.201,549 1.306,550 0.938,551 0.619,552 0.396,553 0.31,554 35101,555 79981,556 2.221,557 43.8,559 26,561 1,562 2,564 3,567 1.802,568 2.139,569 4.082,570 0.064,577 106.129,578 1.454,579 3.568,580 4.787,581 5.546,582 5.659,583 5.659,584 3.628,585 4.998,586 5.322,587 4.261,588 3494.29,589 9.386,590 64621.1,595 451.857,596 1.177,597 5.314,598 0.16,599 0.007,600 0.076,601 0.034,602 0.037,603 0.022,604 0.016,605 0.011,606 0.008,607 0.007,608 0.377,609 0.17,610 0.63,611 0.556,612 237.485,613 -0.038,614 -0.095,615 0.064,616 -0.008,617 -0.052,618 0.032,619 -0.086,620 0.073,621 -0.048,622 0.019,623 -0.033,624 -0.005,625 0.019,626 -0.175,627 -0.076,628 -0.141,629 0.039,630 -0.124,631 -0.006,632 0.013,633 0.035,634 0.026,635 0.002,636 0.034,637 -0.039,638 0.11,639 0.013,640 0.123,641 -0.074,642 0.08,643 0.015,644 -0.068,645 -0.019,646 -0.054,647 0.022,648 -0.044,649 0.013,650 -0.072,651 0.032,652 -0.028,653 0.018,654 -0.001,655 -0.032,656 0.025,657 -0.012,658 -0.006,659 0.008,660 -0.002,661 1.157,662 3.42,663 0.829,664 65.334,665 0.997,666 1.116,667 4.526,668 20.485,669 0.686,670 3.871,671 4.22,672 4.522,673 4.804,674 5.063,675 5.13,676 5.313,677 5.468,678 5.638,679 5.793,680 9.923,681 0.652,682 544.7,683 3.871,684 5.434,685 6.312,686 7.209,687 8.101,688 9.004,689 9.904,690 10.81,691 11.714,692 12.623,693 5.5,696 1,701 1,703 2,708 2,709 16,710 2,714 8,716 29,728 1,733 2,735 73,737 29,738 4,739 47,741 79,742 34,743 26,744 9,745 15,748 7,749 9,754 1,758 3,762 26,763 8,764 3,783 32,784 7,785 2,786 7,792 4,797 0.714,798 3,799 1,810 1,812 1,813 1,815 1,816 6,820 1,839 1,841 1,843 5,847 1,851 41,857 1,858 4,860 1,861 2,863 3,864 1,874 4.1,875 1,879 2,881 19.167,882 13.217,883 8.944,884 4.314,886 5.497,887 1.575,888 1.011,889 7.053,890 15.066,891 4.135,892 4.754,893 5.348,894 5.938,895 6.538,896 6.826,897 7.318,898 7.812,899 8.309,900 8.687,901 1,902 64,903 15.141,905 6.566,906 7.553,907 29.602,909 25.448,911 2.053,912 84.167,916 353.133,917 203.051,918 54.706,920 64.683,923 203.051,924 417.816,925 54.706,926 10.883,927 6.317,928 184.827,929 45.342,930 84.514,931 2.328,932 341.362,934 353.133,935 257.757,936 64.683,939 317.82,940 57.313,941 42.683,943 38.215,944 185.971,945 33.571,947 353.133,948 119.389,949 203.051,952 353.133,953 41.406,954 164.77,955 18.011,956 98.254,957 353.133,958 119.389,959 203.051,961 0.58,962 0.345,963 0.192,964 0.105,965 35,966 14,967 0.114,968 9,969 2,970 1.118,971 5.342,972 420.724,973 0.118,974 34,975 207.66,981 25.97,982 11.134,983 5.512,984 1.806,985 119.389,986 32.077,987 9.048,991 7.144,993 60.694,994 675.574,995 61.5,1007 72.76,1008 81.434,1009 0.235,1010 0.576,1011 0.773,1012 0.896,1013 0.914,1014 0.914,1015 5.386,1016 2.038,1017 6.293,1018 6.708,1019 4.905,1020 5.442,1021 1.755,1022 7.128,1023 4.836,1024 6.592,1025 1.893,1026 7.861,1027 5.997,1028 4.511,1029 5.19,1030 0.325,1031 8.155,1032 4.424,1033 7.905,1034 1.611,1035 9.531,1036 5.683,1037 6.555,1038 7.644,1039 1.434,1040 11.23,1041 6.435,1042 9.254,1043 1.553,1044 11.264,1045 4.26,1046 7.013,1047 8.213,1048 0.393,1049 13.126,1050 6.885,1051 10.633,1052 1.371,1053 13.039,1054 4.1,1055 8.508,1056 10.131,1057 1.203,1058 15.741,1059 8.355,1060 12.034,1061 1.315,1062 14.845,1063 3.387,1064 9.353,1065 11.108,1066 0.384,1067 17.984,1068 9.195,1069 13.452,1070 1.05,1071 16.674,1072 3.144,1073 10.638,1074 12.787,1075 1.011,1076 20.477,1077 10.463,1078 3.384,1079 1,1080 18.521,1081 3.01,1082 11.664,1083 13.988,1084 0.351,1085 22.86,1086 11.484,1087 3.108,1088 12.231,1089 20.382,1090 2.47,1091 12.872,1092 15.554,1093 0.845,1094 25.328,1095 12.681,1096 2.929,1097 10.413,1098 22.255,1099 4.483,1100 13.982,1101 16.881,1102 0.312,1103 27.769,1104 13.786,1105 2.782,1106 9.287,1107 24.138,1108 3.929,1109 15.167,1110 18.394,1111 0.702,1112 30.241,1113 14.962,1114 2.518,1115 8.906,1116 26.029,1117 3.783,1118 16.318,1119 19.793,1120 0.273,1121 32.708,1122 16.108,1123 2.473,1124 7.576,1125 27.927,1126 3.43,1127 17.499,1128 21.284,1129 0.579,1130 35.187,1131 17.283,1132 2.255,1133 7.223,1134 29.832,1135 3.388,1136 18.671,1137 22.723,1138 0.236,1139 37.668,1140 18.45,1141 31383,1142 47581,1143 32.709,1144 50.046,1145 70.642,1146 71.277,1147 72.116,1148 70.307,1149 70.297,1150 91.627,1151 6.418,1152 206.01,1153 67.685,1154 5.55,1155 5.446,1156 6.87,1157 5.453,1158 5.384,1159 7.483,1160 1.776,1161 19.08,1162 5.354,1163 13.326,1164 1.503,1165 1.517,1166 1.534,1167 1.496,1168 1.496,1169 1.95,1170 0.137,1171 4.383,1172 1.44,1173 4.123,1174 4.157,1175 4.079,1176 4.046,1177 6.456,1178 4.049,1179 4.044,1180 4.085,1181 3.965,1182 3.947,1183 5.09,1184 3.945,1185 3.944,1186 3.96,1187 3.897,1188 3.858,1189 4.96,1190 3.864,1191 3.862,1192 3.894,1193 3.801,1194 3.792,1195 4.754,1196 3.79,1197 3.812,1198 3.84,1199 3.748,1200 3.747,1201 4.735,1202 3.744,1203 3.434,1204 3.49,1205 3.36,1206 3.277,1207 4.443,1208 3.292,1209 3.312,1210 3.377,1211 3.184,1212 3.095,1213 4.414,1214 3.106,1215 3.251,1216 3.316,1217 3.1,1218 2.98,1219 4.354,1220 2.997,1221 0.097,1222 0.073,1223 0.15,1224 0.093,1225 0.072,1226 4.55,1227 0.095,1228 3.446,1229 0.019,1230 7.068,1231 0.26,1232 4.375,1233 0.071,1234 3.384,1235 4.483,1236 0.916,1237 12.231,1238 3.354,1239 2.055,1240 2.033,1241 2.125,1242 2.143,1243 1.278,1244 2.137,1245 1.911,1246 1.892,1247 2.014,1248 2.02,1249 1.194,1250 2.017,1251 1.868,1252 1.838,1253 1.979,1254 1.974,1255 1.086,1256 1.978,1257 1.813,1258 1.787,1259 1.921,1260 1.907,1261 1.052,1262 1.915,1263 1.576,1264 1.516,1265 1.785,1266 1.776,1267 1.02,1268 1.782,1269 1.364,1270 1.314,1271 1.591,1272 1.583,1273 1.014,1274 1.58,1275 1.326,1276 1.265,1277 1.577,1278 1.528,1279 0.805,1280 1.538,1281 1.255,1282 1.189,1283 1.564,1284 1.486,1285 0.577,1286 1.526,1287 4.554,1288 1.946,1289 5.894,1290 4.263,1291 7.444,1292 6.354,1293 9.09,1294 8.343,1295 10.789,1297 1.634,1302 9.42,1303 3.513,1305 3.447,1306 11.629,1308 1.937,1309 2.511,1314 47.605,1315 106.129,1316 260.441,1317 349.479,1318 404.838,1319 413.102,1320 413.102,1321 57.582,1322 9.569,1323 79.74,1324 79.74,1325 38,1326 13.14,1327 4.907,1328 3.954,1329 54.555,1330 239,1331 289,1332 0.106,1333 283.339,1334 489.15,1335 683.106,1336 266661,1338 27.761,1339 0.677,1340 0.559,1341 27.761,1342 22.903,1343 20.178,1344 0.429,1345 0.299,1346 13.864,1347 19.53,1348 13.55,1349 11.178,1350 20.178,1351 14.036,1352 18.025,1353 0.269,1354 0.163,1355 18.025,1356 10.925,1357 15.837,1358 0.174,1359 0.09,1360 15.837,1361 8.192,1362 13.561,1363 0.112,1364 0.049,1365 13.561,1366 5.879,1367 11.334,1368 0.072,1369 0.026,1370 11.334,1371 4.123,1372 0.172,1373 125.639,1374 0.175,1375 37.461,1376 0.274,1377 228,1378 580.889,1379 244.213,1380 565.522,1381 795.78,1382 536,1383 275,1384 599.629,1385 292.574,1386 612.811,1387 900.79,1388 577,1389 5.1}
{0 CHEMBL1999774,1 1.801,2 8.957,3 1.521,4 2.313,5 84.873,6 8.42,7 0.44,8 3.817,9 3.929,10 3.459,11 3.31,12 5.021,13 3.314,14 4.345,15 4.513,16 3.883,17 3.74,18 5.565,19 3.72,20 4.617,21 4.802,22 4.086,23 3.905,24 5.779,25 3.868,26 4.74,27 4.948,28 4.095,29 3.891,30 6.125,31 3.841,32 4.643,33 4.856,34 3.944,35 3.805,36 5.833,37 3.734,38 4.433,39 4.627,40 3.727,41 3.672,42 5.653,43 3.575,44 4.432,45 4.656,46 3.556,47 3.494,48 5.669,49 3.388,50 4.187,51 4.439,52 3.003,53 3.216,54 5.236,55 3.072,56 0.152,57 0.602,58 7.263,59 3.353,60 22.419,61 4.115,62 0.372,63 0.959,64 14.76,65 5.794,66 51.638,67 7.624,68 0.41,69 1.141,70 21.928,71 7.622,72 46.382,73 10.338,74 0.916,75 1.141,76 30.176,77 8.224,78 122.793,79 11.115,80 0.756,81 1.003,82 30.572,83 7.28,84 87.924,85 9.561,86 0.478,87 0.853,88 22.474,89 6.884,90 48.348,91 9.061,92 0.661,93 0.754,94 25.669,95 6.486,96 90.011,97 8.606,98 0.456,99 0.598,100 19.179,101 5.373,102 51.432,103 7.465,104 41,105 37,106 0.322,107 0.701,108 0.833,109 0.884,110 0.884,111 0.884,112 3.19,113 0.921,114 -3.91,115 -3.87,116 -3.67,119 37.5,120 1,121 1,122 1,125 3,143 3,144 2,145 1,147 1,149 1,158 1,163 1,164 1,165 1,167 1,170 1,172 3,173 1,174 2,175 6,178 1,180 4,183 3,185 1,188 5,189 1,193 2,194 1,196 3,197 1,198 1,199 2,200 8,202 1,203 5,204 1,205 2,208 1,209 1,213 2,214 1,218 2,221 5,222 1,224 1,225 4,227 1,228 3,230 1,233 4,234 1,238 1,239 1,243 3,248 2,249 1,252 1,253 2,255 4,258 2,260 2,273 2,276 561,277 15.146,278 15.146,279 15.146,280 15.146,281 15.146,282 13.589,283 16.708,284 8.477,285 15.479,286 12.182,287 12.182,288 12.182,289 12.182,290 12.182,291 9.807,292 19.487,293 3.865,294 12.833,295 3.521,296 1.394,297 0.657,298 0.369,299 0.369,300 0.369,301 3.86,302 1,304 1,305 1,306 1,307 434,308 2.915,311 56.634,312 111.199,316 95.106,319 1.527,320 36.068,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 51.333,332 206,333 4.736,334 3.644,335 6.99,336 4.279,337 3.321,338 4.69,339 1.437,340 11.77,341 3.181,342 4.239,343 3.482,344 6.499,345 3.902,346 2.957,347 3.763,348 0.8,349 10.036,350 2.78,351 3.856,352 3.046,353 6.048,354 3.614,355 2.638,356 3.199,358 8.451,359 2.569,360 3.607,361 2.747,362 5.577,363 3.271,364 2.309,365 2.974,367 7.159,368 2.197,369 3.428,370 2.272,371 5.281,372 3.051,373 2.12,374 2.551,376 6.433,377 1.952,378 3.012,379 2.16,380 4.859,381 2.659,382 1.725,383 2.087,385 4.94,386 1.591,387 2.755,388 1.827,389 4.4,390 2.297,391 1.345,392 1.799,394 3.592,395 1.247,396 2.452,397 1.419,398 3.851,399 2.104,400 1.16,401 1.444,403 2.853,404 1.088,405 1.757,406 1.101,407 3.306,408 1.69,409 0.73,410 0.743,412 1.728,413 0.692,414 1.598,415 0.772,416 3.206,417 1.269,418 0.373,419 0.412,421 0.842,422 0.313,423 1.35,424 0.586,425 3.02,426 1.142,427 0.277,428 0.301,430 0.444,431 0.219,432 1.197,433 0.517,434 2.622,435 0.74,436 -0.154,437 -0.189,439 -0.366,440 -0.13,441 1.07,442 0.238,443 2.564,444 0.737,445 -0.198,446 -0.249,448 -0.546,449 -0.184,450 0.485,451 -0.005,452 2.261,453 0.027,454 -0.919,455 -1.108,457 -2,458 -0.781,459 0.353,460 -0.746,461 2.028,462 -0.034,463 -1,464 -1.264,466 -2.589,467 -0.969,468 10.814,469 0.47,470 0.737,471 0.032,472 28,473 1.217,474 12.5,475 0.543,476 15.5,477 0.674,478 20.557,479 0.894,480 25.786,481 0.645,482 20.655,483 0.898,484 5.348,485 0.233,486 5.587,487 0.243,488 0.242,490 0.453,496 0.902,497 1.368,498 0.644,499 0.947,500 0.856,501 0.869,502 0.592,503 1.037,504 0.61,505 0.826,506 0.451,507 0.803,508 0.697,509 1.367,510 0.707,511 1.12,512 0.619,513 0.997,514 0.837,515 0.946,516 1.028,517 0.908,518 0.759,519 0.908,520 1.223,521 0.859,522 1.37,523 0.945,524 1.01,525 0.963,526 0.778,527 1.11,528 1.346,529 1.299,530 0.682,531 1.265,532 1.004,533 0.966,534 1.246,535 1.211,536 1.034,537 1.17,538 0.81,539 0.904,540 1.13,541 1.146,542 0.859,543 1.168,544 5,545 0.085,546 3.333,547 2.41,548 2.13,549 1.094,550 0.602,551 0.32,552 0.197,553 0.106,554 4842,555 16068,556 1.991,557 42.5,558 3,559 6,561 1,562 4,564 2,565 1,567 1.661,568 1.792,569 3.116,570 1.908,571 1,572 1,574 1,577 72.032,578 1.801,579 3.928,580 4.665,581 4.953,582 4.953,583 4.953,584 2.752,585 3.936,586 4.49,587 3.244,588 820.827,589 7.755,590 8863.78,591 1,592 1,594 1,595 212.877,596 1.55,597 4.413,598 0.2,599 0.012,600 0.09,601 0.059,602 0.055,603 0.035,604 0.023,605 0.017,606 0.015,607 0.011,608 0.517,609 0.33,610 1,611 1.009,612 105.26,613 -0.165,614 -0.102,615 -0.015,616 0.066,617 -0.135,618 0.064,619 0.093,620 0.147,621 0.11,622 0.159,623 0.161,624 0.157,625 0.042,626 -0.288,627 0.144,628 -0.118,629 0.057,630 -0.008,631 0.178,632 0.052,633 0.044,634 0.057,635 0.185,636 0.046,637 -0.203,638 0.131,639 -0.127,640 0.049,641 -0.138,642 -0.001,643 0.05,644 -0.09,645 -0.186,646 -0.249,647 0.045,648 -0.258,649 0.013,650 -0.079,651 -0.081,652 -0.198,653 -0.004,654 -0.16,655 0.068,656 -0.039,657 -0.126,658 -0.158,659 -0.034,660 -0.134,661 2.915,662 4.212,663 0.652,664 17.52,665 1.022,666 1.137,667 2.684,668 7.202,669 0.664,670 3.258,671 3.638,672 3.97,673 4.248,674 4.454,675 4.615,676 4.727,677 4.828,678 4.913,679 4.812,680 5.185,681 0.644,682 336.81,683 3.258,684 4.828,685 5.714,686 6.624,687 7.528,688 8.444,689 9.354,690 10.273,691 11.187,692 12.108,693 10,694 1,699 1,703 2,708 2,709 1,710 2,714 5,716 11,725 1,730 1,732 1,734 1,735 40,737 12,739 25,741 42,742 15,743 8,746 1,748 3,749 4,750 1,754 2,757 1,758 1,760 1,762 9,763 6,764 1,767 1,772 1,776 1,779 1,780 1,783 17,784 7,785 4,786 8,787 1,792 4,797 0.667,798 3,809 2,812 1,815 1,816 2,820 1,836 1,841 1,843 2,847 1,848 1,851 23,852 1,857 2,858 4,863 1,864 1,873 1,874 7.5,876 2,877 1,881 12.833,882 7.31,883 5.056,884 2.332,886 2.448,887 1.347,888 0.932,889 4.317,890 9.5,891 3.481,892 4.135,893 4.781,894 5.404,895 6.006,896 6.451,897 6.858,898 7.238,899 7.593,900 7.552,901 1,902 41,903 8.538,905 3.79,906 8.099,907 15.792,909 13.251,911 2.599,912 59.778,916 153.024,917 44.122,918 69.593,919 39.149,920 110.512,923 44.122,924 302.685,925 69.593,926 8.825,927 41.749,929 156.764,930 26.332,931 2.328,932 141.253,933 39.149,934 153.024,935 113.715,936 110.512,937 39.149,939 119.426,940 145.825,943 59.621,944 18.807,945 72.72,947 153.024,948 180.104,949 83.271,952 153.024,953 26.249,954 20.997,956 216.129,957 153.024,958 180.104,959 83.271,961 0.597,962 0.372,963 0.198,964 0.101,965 19,966 10,967 0.071,968 3,969 1,970 1.133,971 3.305,972 192.413,973 0.133,974 15,975 104.042,981 16.242,982 6.113,983 2.711,984 0.55,985 180.104,986 1.108,987 8.511,991 0.936,993 118.264,994 416.399,995 31.5,1000 11.133,1004 -1.248,1007 40.898,1008 45.472,1009 0.338,1010 0.738,1011 0.877,1012 0.931,1013 0.931,1014 0.931,1015 4.76,1016 1.16,1017 5.746,1018 3.592,1019 4.317,1020 4.82,1021 1.806,1022 6.64,1023 4.212,1024 6.002,1025 0.73,1026 7.37,1027 2.853,1028 4.111,1029 4.89,1030 0.325,1031 7.708,1032 3.952,1033 7.35,1034 0.373,1035 9.091,1036 1.728,1037 5.999,1038 7.123,1039 2.301,1040 10.846,1041 5.807,1042 8.735,1043 0.277,1044 10.867,1045 0.842,1046 6.581,1047 8.003,1048 0.268,1049 12.697,1050 6.333,1051 10.153,1052 -0.154,1053 12.677,1054 0.444,1055 7.985,1056 9.785,1057 2.937,1058 15.384,1059 7.706,1060 11.593,1061 -0.198,1062 14.511,1063 -0.366,1064 8.901,1065 11.021,1066 0.188,1067 17.562,1068 8.569,1069 13.051,1070 -0.919,1071 16.361,1072 -0.546,1073 10.143,1074 12.646,1075 3.623,1076 20.096,1077 9.775,1078 3.321,1079 -1,1080 18.225,1081 -2,1082 11.204,1083 14.046,1084 0.125,1085 22.421,1086 10.786,1087 2.957,1088 11.77,1089 20.099,1090 -2.589,1091 12.393,1092 15.614,1093 4.331,1094 24.899,1095 11.936,1096 2.638,1097 10.036,1098 21.981,1099 4.69,1100 13.518,1101 17.09,1102 0.082,1103 27.293,1104 13.015,1105 2.309,1106 8.451,1107 23.872,1108 3.763,1109 14.695,1110 18.638,1111 5.048,1112 29.752,1113 14.15,1114 2.12,1115 7.159,1116 25.768,1117 3.199,1118 15.85,1119 20.149,1120 0.054,1121 32.178,1122 15.26,1123 1.725,1124 6.433,1125 27.669,1126 2.974,1127 17.026,1128 21.691,1129 5.769,1130 34.633,1131 16.394,1132 1.345,1133 4.94,1134 29.575,1135 2.551,1136 18.196,1137 23.219,1138 0.035,1139 37.075,1140 17.521,1141 4871,1142 9019,1143 15.838,1144 26.574,1145 37.86,1146 39.5,1147 40.954,1148 37.964,1149 37.912,1150 47.925,1151 4.473,1152 116.494,1153 35.66,1154 5.635,1155 5.644,1156 6.546,1157 5.347,1158 5.321,1159 7.69,1160 2.873,1161 19.484,1162 5.14,1163 14.292,1164 1.514,1165 1.58,1166 1.638,1167 1.519,1168 1.516,1169 1.917,1170 0.179,1171 4.66,1172 1.426,1173 4.093,1174 4.12,1175 4.137,1176 3.992,1177 7.475,1178 4.006,1179 3.849,1180 3.906,1181 3.765,1182 3.708,1183 6.468,1184 3.708,1185 3.564,1186 3.581,1187 3.66,1188 3.437,1189 6.35,1190 3.447,1191 3.279,1192 3.385,1193 3.285,1194 3.025,1195 5.058,1196 3.031,1197 3.186,1198 3.239,1199 3.11,1200 2.915,1201 5.001,1202 2.95,1203 3.038,1204 3.07,1205 2.983,1206 2.809,1207 4.666,1208 2.819,1209 2.831,1210 2.92,1211 2.83,1212 2.568,1213 4.285,1214 2.553,1215 2.804,1216 2.876,1217 2.654,1218 2.53,1219 4.029,1220 2.541,1221 0.189,1222 0.146,1223 0.28,1224 0.171,1225 0.133,1226 4.736,1227 0.188,1228 3.644,1229 0.057,1230 6.99,1231 0.471,1232 4.279,1233 0.127,1234 3.321,1235 4.69,1236 1.437,1237 11.77,1238 3.181,1239 2.005,1240 1.987,1241 2.035,1242 2.12,1243 1.294,1244 2.098,1245 1.681,1246 1.619,1247 1.919,1248 1.862,1249 1.21,1250 1.885,1251 1.555,1252 1.526,1253 1.702,1254 1.751,1255 0.98,1256 1.736,1257 1.377,1258 1.308,1259 1.627,1260 1.592,1261 0.702,1262 1.605,1263 1.095,1264 1.023,1265 1.412,1266 1.404,1267 0.503,1268 1.417,1269 1.013,1270 0.925,1271 1.269,1272 1.364,1273 0.349,1274 1.332,1275 0.82,1276 0.783,1277 0.969,1278 1.139,1279 0.055,1280 1.1,1281 0.702,1282 0.649,1283 0.901,1284 1.061,1286 1.022,1287 3.932,1289 5.293,1290 2.398,1291 6.858,1292 4.595,1293 8.52,1294 6.581,1295 10.239,1297 1.722,1298 6.425,1301 5.716,1302 19.307,1303 3.163,1308 0.402,1309 2.052,1314 25.745,1315 72.032,1316 157.103,1317 186.612,1318 198.122,1319 198.122,1320 198.122,1321 53.224,1322 7.052,1323 112.57,1324 112.57,1325 17,1326 12.617,1327 3.7,1328 2.907,1329 36.712,1330 75,1331 77,1332 0.267,1333 162.41,1334 278.92,1335 388.04,1336 9049,1337 2.5,1338 16.723,1339 0.727,1340 0.58,1341 17.223,1342 13.339,1343 10.935,1344 0.437,1345 0.307,1346 7.209,1347 10.197,1348 7.014,1349 5.772,1350 11.223,1351 7.675,1352 10.147,1353 0.274,1354 0.165,1355 10.48,1356 6.113,1357 9.005,1358 0.173,1359 0.091,1360 9.482,1361 4.745,1362 7.5,1363 0.109,1364 0.046,1365 7.815,1366 3.189,1367 5.491,1368 0.065,1369 0.024,1370 5.832,1371 2.002,1372 0.403,1373 72.307,1374 0.251,1375 22.009,1376 0.781,1377 124,1378 400.486,1379 153.045,1380 414.353,1381 546.29,1382 382,1383 151,1384 374.081,1385 179.286,1386 387.32,1387 576.2,1388 363,1389 5.1}
{0 CHEMBL1999811,1 1.919,2 10.522,3 2.185,4 4.773,5 86.831,6 9.687,7 0.64,8 3.69,9 3.782,10 3.514,11 3.221,12 5.039,13 3.246,14 4.074,15 4.184,16 3.8,17 3.567,18 5.467,19 3.568,20 4.291,21 4.442,22 3.789,23 3.589,24 5.666,25 3.58,26 4.301,27 4.49,28 3.735,29 3.469,30 5.698,31 3.434,32 4.129,33 4.326,34 3.436,35 3.219,36 5.501,37 3.2,38 3.928,39 4.106,40 3.483,41 3.042,42 5.425,43 3.088,44 3.819,45 3.993,46 3.277,47 3.011,48 5.36,49 3.006,50 3.704,51 3.869,52 3.088,53 3.01,54 4.989,55 2.986,56 0.202,57 0.57,58 4.937,59 2.509,60 18.955,61 2.234,62 0.291,63 0.813,64 5.987,65 4.113,66 19.735,67 4.114,68 0.487,69 0.912,70 10.725,71 5.184,72 51.015,73 4.985,74 0.573,75 0.906,76 15.418,77 5.513,78 63.523,79 5.731,80 0.537,81 0.741,82 15.641,83 4.585,84 57.419,85 4.196,86 0.431,87 0.612,88 10.388,89 3.22,90 44.456,91 3.063,92 0.42,93 0.544,94 9.612,95 3.177,96 49.584,97 3.314,98 0.315,99 0.469,100 7.214,101 2.915,102 40.925,103 2.624,104 10,105 34,106 0.347,107 0.67,108 0.807,109 0.91,110 0.921,111 0.921,112 3.187,113 0.864,114 -2.31,115 -2.34,116 -2.31,119 41.2,142 6,143 1,144 3,146 2,155 1,159 1,168 1,172 4,174 1,175 2,178 2,179 1,180 5,183 4,187 1,188 4,191 2,193 4,196 1,200 5,203 2,204 1,205 5,212 1,213 3,216 1,217 1,218 4,224 2,225 3,228 2,230 2,237 1,238 3,241 1,242 2,243 2,246 1,250 1,258 2,264 2,267 1,268 1,269 1,272 4,276 708,277 15.499,278 15.499,279 15.499,280 15.499,281 15.499,282 13.176,283 13.263,284 9.238,285 15.742,286 12.342,287 12.342,288 12.342,289 12.342,290 12.342,291 8.916,292 15.16,293 4.378,294 12.739,295 3.168,296 1.387,297 0.633,298 0.059,301 3.868,304 1,305 1,306 1,307 523,308 3.162,311 52.43,312 148.623,315 99.4,319 1.584,320 29.316,322 1,323 1,324 1,325 1,326 0.4,328 0.83,329 1,330 0.75,331 51.5,332 242,333 4.515,334 3.549,335 6.519,336 4.025,337 3.056,338 4.459,339 1.629,340 10.251,341 2.959,342 4.248,343 3.04,344 6.058,345 3.827,346 2.854,347 3.909,348 0.142,349 8.701,350 2.774,351 3.731,352 3.017,353 5.335,354 3.372,355 2.399,356 3.027,358 6.77,359 2.319,360 3.506,361 2.421,362 4.962,363 3.084,364 2.13,365 2.841,367 5.827,368 2.023,369 3.343,370 2.134,371 4.847,372 2.898,373 1.921,374 2.61,376 5.383,377 1.868,378 3.048,379 1.961,380 4.186,381 2.533,382 1.548,383 2.321,385 3.814,386 1.523,387 2.951,388 1.548,389 4.095,390 2.467,391 1.511,392 2.065,394 3.652,395 1.436,396 2.645,397 1.422,398 3.455,399 2.068,400 1.097,401 1.577,403 2.449,404 1.06,405 2.5,406 1,407 3.393,408 2,409 1,410 1.5,412 2.232,413 1,414 2.087,415 0.879,416 3.185,417 1.588,418 0.642,419 0.902,421 1.603,422 0.605,423 1.471,424 0.632,425 2.786,426 1.216,427 0.249,428 0.291,430 0.571,431 0.239,432 1.215,433 0.297,434 2.422,435 0.803,436 -0.171,437 -0.225,439 -0.423,440 -0.164,441 1,442 0.069,443 2.359,444 0.479,445 -0.492,446 -0.62,448 -1.118,449 -0.458,450 0.795,451 -0.071,452 2.248,453 0.397,454 -0.518,455 -0.683,457 -1.243,458 -0.479,459 0.56,460 -0.558,461 1.951,462 0.108,463 -0.905,464 -1.253,466 -2.26,467 -0.908,468 10.833,469 0.471,470 0.541,471 0.024,472 33.25,473 1.446,474 18.5,475 0.804,476 14.75,477 0.641,478 13.819,479 0.601,480 23.967,481 0.705,482 23.266,483 1.012,484 6.84,485 0.297,486 4.291,487 0.187,488 0.092,490 0.323,496 0.924,497 1.139,498 0.668,499 0.875,500 0.878,501 0.718,502 0.601,503 1.082,504 0.648,505 0.911,506 0.589,507 0.946,508 1.094,509 1.051,510 0.849,511 0.907,512 1.085,513 1.045,514 0.95,515 1.191,516 0.994,517 1.059,518 0.843,519 1.071,520 1.331,521 1.015,522 1.353,523 1.034,524 1.329,525 1.007,526 1.201,527 0.998,528 0.784,529 0.884,530 1.345,531 0.818,532 0.867,533 0.915,534 0.958,535 0.926,536 0.982,537 0.947,538 1.447,539 0.663,540 0.95,541 0.616,542 1.552,543 0.832,544 4.5,545 0.107,546 2.667,547 1.375,548 0.987,549 0.462,550 0.394,551 0.143,552 0.191,553 0.115,554 6312,555 23404,556 2.067,557 32.4,559 6,561 1,562 4,567 1.65,568 1.944,569 3.338,570 1.951,572 1,574 1,577 65.252,578 1.919,579 3.7,580 4.455,581 5.029,582 5.087,583 5.087,584 2.736,585 4.437,586 4.502,587 3.538,588 895.024,589 7.711,590 10710.9,591 1,592 1,594 1,595 172.974,596 1.371,597 4.458,598 0.18,599 0.006,600 0.078,601 0.043,602 0.037,603 0.022,604 0.019,605 0.008,606 0.012,607 0.006,608 0.411,609 0.33,610 1,611 0.58,612 109.912,613 -0.148,614 -0.042,615 0.036,616 0.023,617 -0.195,618 0.08,619 0.105,620 -0.019,621 -0.005,622 -0.068,623 0.047,624 -0.115,625 -0.14,626 -0.083,627 -0.082,628 -0.06,629 -0.132,630 -0.141,631 0.023,632 -0.233,633 0.042,634 -0.092,635 0.076,636 -0.069,637 -0.216,638 -0.028,639 -0.229,640 -0.043,641 -0.162,642 -0.03,643 -0.018,644 -0.012,645 0.167,646 -0.011,647 -0.056,648 0.089,649 0.201,650 0.049,652 -0.006,653 0.199,654 0.01,655 -0.392,656 0.256,657 -0.136,658 0.259,659 -0.364,660 0.125,661 2.222,662 4.824,663 0.652,664 17.705,665 1.036,666 1.126,667 1.078,668 1.162,669 0.715,670 3.258,671 3.555,672 3.784,673 4.007,674 4.111,675 4.078,676 4.025,677 4.043,678 3.932,679 3.951,680 6.409,681 0.706,682 329.37,683 3.258,684 4.779,685 5.609,686 6.469,687 7.314,688 8.176,689 9.026,690 9.889,691 10.742,692 11.605,693 14.7,700 2,702 1,703 2,708 2,709 6,710 2,713 1,714 4,716 16,732 2,735 34,737 18,738 2,739 25,741 36,742 14,743 12,744 6,745 6,746 1,748 3,749 4,751 1,753 1,762 14,767 2,772 1,774 1,775 1,776 1,779 1,780 1,783 11,784 8,785 4,786 9,787 1,792 5,797 0.667,798 3,815 1,816 2,819 1,843 2,845 1,851 23,857 2,860 2,874 8.8,876 2,877 1,881 11.833,882 5.917,883 5.083,884 1.717,886 3.569,887 1.525,888 0.948,889 4.573,890 10.361,891 3.584,892 4.201,893 4.782,894 5.377,895 5.805,896 6.024,897 6.247,898 6.541,899 6.353,900 6.586,901 0.857,902 32,903 8.415,905 3.588,906 8.13,907 15.302,909 12.05,911 2.63,912 60.5,916 82.398,917 111.238,918 82.514,920 110.512,922 30.826,923 80.411,924 192.909,925 82.514,927 35.899,928 56.857,929 161.282,930 26.894,931 4.276,932 101.453,934 82.398,935 162.925,936 110.512,937 30.826,939 82.398,940 110.512,943 56.85,944 67.076,945 38.999,946 30.826,947 82.398,948 193.026,949 111.238,952 82.398,953 45.333,954 65.905,955 35.899,956 157.127,957 82.398,958 193.026,959 111.238,961 0.577,962 0.332,963 0.178,964 0.089,965 16,966 7,967 0.083,968 3,969 1,970 1.133,971 3.64,972 173.086,973 0.133,974 15,975 104.042,977 1,981 15.491,982 6.789,983 3.682,984 1.304,985 193.026,986 9.313,987 8.199,990 1.062,991 0.676,993 121.266,994 386.661,995 35,1000 11.824,1002 1.263,1003 3.734,1004 -0.556,1007 35.218,1008 38.285,1009 0.377,1010 0.727,1011 0.876,1012 0.988,1013 1,1014 1,1015 4.787,1016 1.097,1017 5.58,1018 3.652,1019 4.234,1020 4.887,1021 1.701,1022 6.347,1023 4.171,1024 6.004,1025 1,1026 7.112,1027 2.449,1028 3.761,1029 4.677,1030 1.195,1031 7.168,1032 3.654,1033 7.307,1034 0.642,1035 8.745,1036 2.232,1037 5.784,1038 7.127,1039 2.344,1040 10.246,1041 5.659,1042 8.647,1043 0.249,1044 10.437,1045 1.603,1046 6.133,1047 7.781,1048 2.262,1049 11.923,1050 5.963,1051 10.019,1052 -0.171,1053 12.168,1054 0.571,1055 7.613,1056 9.677,1057 3.143,1058 14.506,1059 7.428,1060 11.413,1061 -0.492,1062 13.928,1063 -0.423,1064 8.353,1065 10.754,1066 3.301,1067 16.542,1068 8.124,1069 12.827,1070 -0.518,1071 15.708,1072 -1.118,1073 9.608,1074 12.414,1075 4.023,1076 18.952,1077 9.361,1078 3.056,1079 -0.905,1080 17.503,1081 -1.243,1082 10.535,1083 13.701,1084 4.321,1085 21.143,1086 10.248,1087 2.854,1088 10.251,1089 19.311,1090 -2.26,1091 11.695,1092 15.258,1093 4.946,1094 23.491,1095 11.386,1096 2.399,1097 8.701,1098 21.129,1099 4.459,1100 12.712,1101 16.646,1102 5.326,1103 25.75,1104 12.366,1105 2.13,1106 6.77,1107 22.955,1108 3.909,1109 13.833,1110 18.158,1111 5.892,1112 28.076,1113 13.461,1114 1.921,1115 5.827,1116 24.787,1117 3.027,1118 14.893,1119 19.595,1120 6.319,1121 30.366,1122 14.486,1123 1.548,1124 5.383,1125 26.625,1126 2.841,1127 15.999,1128 21.09,1129 6.852,1130 32.686,1131 15.564,1132 1.511,1133 3.814,1134 28.467,1135 2.61,1136 17.08,1137 22.551,1138 7.305,1139 34.992,1140 16.611,1141 6065,1142 11824,1143 16.701,1144 24.324,1145 37.288,1146 37.827,1147 37.799,1148 36.861,1149 36.811,1150 51.002,1151 3.542,1152 102.506,1153 35.611,1154 5.354,1155 5.549,1156 6.084,1157 5.073,1158 5.056,1159 7.459,1160 2.86,1161 17.08,1162 4.959,1163 10.507,1164 1.492,1165 1.513,1166 1.512,1167 1.474,1168 1.472,1169 2.04,1170 0.142,1171 4.1,1172 1.424,1173 4.043,1174 4.071,1175 4.253,1176 3.967,1177 7.431,1178 3.958,1179 3.921,1180 3.94,1181 3.879,1182 3.84,1183 6.493,1184 3.845,1185 3.537,1186 3.596,1187 3.614,1188 3.246,1189 6.446,1190 3.282,1191 3.253,1192 3.298,1193 3.421,1194 3.16,1195 5.059,1196 3.112,1197 3.173,1198 3.217,1199 3.117,1200 2.977,1201 4.746,1202 3.001,1203 2.944,1204 2.976,1205 2.836,1206 2.746,1207 4.362,1208 2.751,1209 2.863,1210 2.918,1211 2.766,1212 2.674,1213 4.316,1214 2.695,1215 2.681,1216 2.72,1217 2.576,1218 2.363,1219 3.98,1220 2.407,1221 0.181,1222 0.142,1223 0.261,1224 0.161,1225 0.122,1226 4.515,1227 0.178,1228 3.549,1229 0.065,1230 6.519,1231 0.41,1232 4.025,1233 0.118,1234 3.056,1235 4.459,1236 1.629,1237 10.251,1238 2.959,1239 1.906,1240 1.88,1241 1.985,1242 2.016,1243 1.094,1244 2.006,1245 1.883,1246 1.866,1247 1.97,1248 1.984,1249 1.055,1250 1.979,1251 1.357,1252 1.3,1253 1.476,1254 1.69,1255 0.365,1256 1.633,1257 1.138,1258 1.099,1259 1.266,1260 1.366,1261 0.276,1262 1.347,1263 0.969,1264 0.954,1265 1.14,1266 1.176,1267 0.155,1268 1.173,1269 0.912,1270 0.863,1271 1.075,1272 1.136,1273 0.15,1274 1.131,1275 0.883,1276 0.839,1277 1.009,1278 1.078,1280 1.081,1281 0.623,1282 0.573,1283 0.815,1284 0.979,1286 0.955,1287 3.932,1289 5.231,1290 2.398,1291 6.715,1292 4.595,1293 8.291,1294 6.605,1295 9.914,1302 18.782,1305 4.898,1314 24.019,1315 65.252,1316 125.812,1317 151.464,1318 170.974,1319 172.974,1320 172.974,1321 40.296,1322 6.792,1323 119.73,1324 147.97,1325 17,1326 12.155,1327 4.248,1328 3.459,1329 37.161,1330 90,1331 80,1332 0.199,1333 153.628,1334 257.1,1335 366.611,1336 8246,1338 16.234,1339 0.706,1340 0.54,1341 16.587,1342 12.411,1343 11.131,1344 0.445,1345 0.288,1346 6.408,1347 10.138,1348 6.261,1349 5.205,1350 11.631,1351 7.197,1352 9.973,1353 0.293,1354 0.148,1355 10.439,1356 5.033,1357 8.059,1358 0.187,1359 0.08,1360 8.615,1361 3.461,1362 6.714,1363 0.124,1364 0.045,1365 7.436,1366 2.409,1367 4.838,1368 0.081,1369 0.024,1370 5.36,1371 1.43,1372 0.321,1373 75.789,1374 0.245,1375 23.037,1376 0.522,1377 118,1378 430.496,1379 152.189,1380 438.557,1381 585.54,1382 404,1383 136,1384 412.354,1385 168.901,1386 434.625,1387 619.24,1388 406,1389 5.1}
{0 CHEMBL1999918,1 2.059,2 7.762,3 3.513,4 12.338,5 80.835,6 13.186,7 0.696,8 3.495,9 3.562,10 3.573,11 3.234,12 4.869,13 3.205,14 3.938,15 4.012,16 4.056,17 3.647,18 5.387,19 3.599,20 4.157,21 4.239,22 4.305,23 3.704,24 5.824,25 3.67,26 4.128,27 4.243,28 4.061,29 3.584,30 5.629,31 3.554,32 4.063,33 4.222,34 3.779,35 3.448,36 5.536,37 3.417,38 3.984,39 4.116,40 3.934,41 3.345,42 5.629,43 3.321,44 3.762,45 3.924,46 3.807,47 3.074,48 5.257,49 3,50 3.36,51 3.504,52 3.807,53 2.712,54 5.278,55 2.591,56 0.165,57 0.507,58 1.759,59 2.023,60 26.321,61 1.646,62 0.296,63 0.81,64 4.293,65 3.6,66 49.548,67 3.074,68 0.589,69 1.155,70 17.023,71 6.06,72 94.547,73 4.26,74 0.505,75 1.007,76 16.821,77 5.695,78 73.256,79 4.305,80 0.516,81 0.985,82 11.102,83 5.036,84 76.512,85 4.523,86 0.5,87 0.962,88 8.94,89 4.824,90 74.139,91 3.539,92 0.416,93 0.7,94 16.381,95 4.828,96 65.195,97 3.582,98 0.399,99 0.426,100 20.193,101 3.601,102 74.541,103 2.418,104 27,105 34,106 0.39,107 0.731,108 0.837,109 0.896,110 0.896,111 0.896,112 3.105,113 0.966,114 -4.46,115 -4.39,116 -4.14,117 1,119 50,142 3,143 3,144 3,145 2,152 2,158 1,163 1,164 1,165 1,172 5,175 1,177 1,178 1,183 7,188 5,193 2,196 5,198 2,200 3,205 1,208 4,210 1,213 2,218 1,221 3,223 1,224 1,225 1,227 1,228 1,230 1,233 2,235 1,238 2,243 1,246 1,248 1,250 1,255 1,258 1,260 1,276 528,277 13.776,278 13.776,279 13.776,280 13.776,281 13.776,282 11.656,283 5.614,284 7.769,285 14.199,286 11.275,287 11.275,288 11.275,289 11.275,290 11.275,291 8.113,292 3.628,293 3.625,294 12.144,295 2.748,296 0.942,297 0.384,298 0.071,299 0.071,300 0.071,301 3.776,305 1,306 1,307 344,308 2.646,311 39.711,312 110.175,315 76,319 1.129,320 37.045,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 46.75,332 163,333 4.667,334 3.547,335 6.859,336 4.217,337 3.253,338 4.595,339 0.98,340 11.384,341 3.14,342 4.38,343 3.505,344 6.415,345 3.895,346 2.972,347 4.108,349 9.717,350 2.725,351 3.932,352 3.07,353 5.936,354 3.527,355 2.574,356 3.369,358 8.152,359 2.43,360 3.615,361 2.678,362 5.61,363 3.162,364 2.226,365 2.986,367 7.015,368 2.018,369 3.159,370 2.25,371 4.962,372 2.652,373 1.769,374 2.411,376 5.176,377 1.483,378 2.999,379 1.835,380 4.446,381 2.453,382 1.498,383 2.219,385 4.072,386 1.421,387 2.92,388 1.687,389 4.05,390 2.398,391 1.451,392 2.104,394 3.473,395 1.359,396 2.543,397 1.365,398 3.675,399 1.958,400 1,401 1.466,403 2.461,404 0.933,405 2.014,406 1.29,407 3.318,408 1.451,409 0.568,410 0.803,412 1.515,413 0.486,414 1.446,415 0.659,416 2.887,417 1.026,418 0.287,419 0.317,421 0.626,422 0.181,423 1.321,424 0.267,425 2.758,426 0.848,427 -0.027,428 -0.036,430 -0.067,431 -0.021,432 0.818,433 0.115,434 2.361,435 0.282,436 -0.631,437 -0.872,439 -1.616,440 -0.523,441 0.5,442 -0.364,443 2.151,444 0.051,445 -1,446 -1.272,448 -2,449 -0.777,450 0.48,451 -0.536,452 2,453 -0.064,454 -1,455 -1.382,457 -2.851,458 -0.914,459 0.126,460 -1,461 1.731,462 -0.275,463 -1.153,464 -1.5,466 -2.875,467 -1.02,468 10.871,469 0.518,470 0.686,471 0.033,472 28.5,473 1.357,474 15.5,475 0.738,476 13,477 0.619,478 16.76,479 0.798,480 20.929,481 0.747,482 18.902,483 0.9,484 5.48,485 0.261,486 4.506,487 0.215,488 0.243,490 0.414,494 2,496 0.602,497 0.702,498 0.491,499 0.566,500 0.595,501 0.577,502 0.64,503 0.776,504 0.609,505 0.665,506 0.602,507 0.666,508 0.792,509 1.052,510 0.994,511 1.227,512 0.827,513 1.053,514 1.028,515 1.159,516 0.839,517 1.125,518 1.019,519 1.155,520 1.022,521 1.002,522 0.419,523 0.767,524 0.983,525 0.934,526 1.168,527 1.16,528 0.693,529 0.984,530 1.23,531 1.032,532 1.276,533 1.17,534 1.441,535 1.255,536 1.269,537 1.179,538 1.178,539 0.895,540 1.827,541 0.941,542 1.179,543 1.028,544 4.5,546 3.333,547 1.882,548 1.543,549 0.75,550 0.648,551 0.333,552 0.171,553 0.071,554 3752,555 17560,556 2.018,557 25,559 3,561 2,562 2,567 1.637,568 1.826,569 2.969,570 0.425,572 1,577 57.651,578 2.059,579 3.866,580 4.423,581 4.736,582 4.736,583 4.736,584 2.422,585 3.785,586 4.365,587 3.063,588 643.137,589 7.507,590 6553.18,591 1,592 1,593 1,594 1,595 134.606,596 1.545,597 4.289,598 0.196,600 0.098,601 0.052,602 0.05,603 0.028,604 0.026,605 0.021,606 0.016,607 0.014,608 0.5,609 0.5,610 1,611 0.911,612 92.437,613 -0.069,614 0.07,615 -0.011,616 0.104,617 -0.079,618 0.104,619 -0.009,620 0.04,621 0.002,622 0.118,623 0.015,624 0.101,625 0.125,626 -0.086,627 -0.055,628 -0.25,629 0.096,630 -0.178,631 -0.117,632 -0.198,633 -0.07,634 -0.239,635 -0.121,636 -0.244,637 -0.084,638 -0.014,639 0.031,640 0.053,641 -0.071,642 0.062,643 -0.071,644 -0.09,645 -0.004,646 -0.046,647 -0.121,648 -0.098,649 -0.193,650 -0.183,651 -0.068,652 -0.088,653 -0.195,654 -0.005,655 0.125,656 0.097,657 0.14,658 0.348,659 0.197,660 0.152,661 2.634,662 6.12,663 0.714,664 13.116,665 1.05,666 1.118,667 3.234,668 10.461,669 0.8,670 3.178,671 3.555,672 3.871,673 4.127,674 4.369,675 4.489,676 4.554,677 4.644,678 4.595,679 4.575,680 4.704,681 0.78,682 369.2,683 3.178,684 4.745,685 5.624,686 6.526,687 7.427,688 8.335,689 9.242,690 10.152,691 11.062,692 11.973,693 7.1,700 1,703 1,708 2,709 5,710 1,713 1,714 6,716 16,722 1,734 3,735 28,737 17,738 1,739 23,740 1,741 30,742 14,743 13,744 4,745 2,746 1,748 3,749 4,762 14,767 1,772 1,776 1,780 1,781 2,783 7,784 5,785 2,786 7,787 2,792 2,797 0.667,798 1,809 1,815 1,816 2,819 1,843 2,845 1,846 1,849 2,851 21,852 1,869 1,873 3,874 3.6,877 1,881 11.5,882 5.212,883 4.528,884 1.497,886 3.327,887 1.483,888 1.046,889 3.659,890 10.216,891 3.497,892 4.201,893 4.87,894 5.513,895 6.105,896 6.523,897 6.937,898 7.389,899 7.636,900 7.969,901 1,902 36,903 7.819,905 3.556,906 8.337,907 14.011,909 11.642,911 2.837,912 59.583,916 58.856,917 114.851,918 95.637,920 25.145,921 29.92,922 31.278,923 129.528,924 84,925 79.603,927 32.897,928 28.429,929 70.177,930 48.336,931 32.024,932 66.591,933 45.954,934 58.856,935 133.256,936 55.065,937 31.278,938 45.954,939 88.776,940 25.145,943 50.992,944 65.479,945 16.786,946 77.232,947 88.776,948 74.828,949 160.805,952 58.856,953 68.328,954 46.524,955 45.954,956 104.748,957 58.856,958 104.748,959 160.805,961 0.601,962 0.366,963 0.186,964 0.104,965 18,966 9,967 0.067,968 2,969 1,970 1.133,971 3.162,972 169.465,973 0.133,974 15,975 92.239,977 1,981 14.394,982 5.338,983 2.418,984 1.299,985 104.748,986 7.446,987 4.013,990 1.165,991 -1.035,993 32.897,994 324.409,995 32,1000 11.256,1004 -0.565,1007 29.396,1008 31.308,1009 0.428,1010 0.804,1011 0.92,1012 0.985,1013 0.985,1014 0.985,1015 4.745,1016 1,1017 5.652,1018 3.473,1019 4.234,1020 4.887,1021 1.072,1022 6.529,1023 4.094,1024 6.011,1025 0.568,1026 7.266,1027 2.461,1028 4.007,1029 4.902,1031 7.561,1032 3.786,1033 7.361,1034 0.287,1035 8.979,1036 1.515,1037 5.9,1038 7.226,1039 1.045,1040 10.688,1041 5.663,1042 8.749,1043 -0.027,1044 10.746,1045 0.626,1046 6.463,1047 8.046,1049 12.509,1050 6.147,1051 10.166,1052 -0.631,1053 12.546,1054 -0.067,1055 7.875,1056 9.875,1057 1.019,1058 15.175,1059 7.55,1060 11.606,1061 -1,1062 14.369,1063 -1.616,1064 8.773,1065 11.06,1067 17.322,1068 8.382,1069 13.062,1070 -1,1071 16.208,1072 -2,1073 10.015,1074 12.694,1075 0.993,1076 19.827,1077 9.607,1078 3.253,1079 -1.153,1080 18.059,1081 -2.851,1082 11.057,1083 14.051,1085 22.119,1086 10.597,1087 2.972,1088 11.384,1089 19.92,1090 -2.875,1091 12.238,1092 15.606,1093 0.967,1094 24.567,1095 11.755,1096 2.574,1097 9.717,1098 21.788,1099 4.595,1100 13.343,1101 17.043,1103 26.926,1104 12.818,1105 2.226,1106 8.152,1107 23.663,1108 4.108,1109 14.505,1110 18.568,1111 0.942,1112 29.354,1113 13.952,1114 1.769,1115 7.015,1116 25.543,1117 3.369,1118 15.64,1119 20.043,1121 31.745,1122 15.051,1123 1.498,1124 5.176,1125 27.427,1126 2.986,1127 16.798,1128 21.557,1129 0.917,1130 34.168,1131 16.18,1132 1.451,1133 4.072,1134 29.316,1135 2.411,1136 17.946,1137 23.051,1139 36.576,1140 17.296,1141 3770,1142 8248,1143 14.74,1144 22.387,1145 35.522,1146 37.423,1147 37.327,1148 35.216,1149 35.197,1150 48.757,1151 1.96,1152 107.181,1153 32.353,1154 5.325,1155 5.547,1156 6.377,1157 5.325,1158 5.253,1159 7.595,1160 1.96,1161 19.007,1162 5.14,1163 12.336,1164 1.544,1165 1.627,1166 1.623,1167 1.531,1168 1.53,1169 2.12,1170 0.085,1171 4.66,1172 1.407,1173 4.108,1174 4.116,1175 6.88,1176 4.113,1177 8.239,1178 4.073,1179 3.853,1180 3.863,1181 4.339,1182 3.826,1183 8.161,1184 3.799,1185 3.475,1186 3.514,1187 3.823,1188 3.314,1189 7.437,1190 3.314,1191 3.067,1192 3.131,1193 3.446,1194 2.974,1195 4.967,1196 2.938,1197 2.976,1198 3.005,1199 3.156,1200 2.768,1201 4.863,1202 2.798,1203 2.93,1204 2.981,1205 2.893,1206 2.73,1207 4.515,1208 2.752,1209 2.616,1210 2.656,1211 2.838,1212 2.596,1213 4.249,1214 2.519,1215 2.341,1216 2.429,1217 2.537,1218 2.074,1219 3.775,1220 2.021,1221 0.203,1222 0.154,1223 0.298,1224 0.183,1225 0.141,1226 4.667,1227 0.2,1228 3.547,1229 0.043,1230 6.859,1231 0.495,1232 4.217,1233 0.137,1234 3.253,1235 4.595,1236 0.98,1237 11.384,1238 3.14,1239 1.973,1240 1.959,1241 2.006,1242 2.041,1243 1.187,1244 2.037,1245 1.719,1246 1.704,1247 1.759,1248 1.809,1249 0.909,1250 1.806,1251 1.534,1252 1.538,1253 1.537,1254 1.695,1255 0.685,1256 1.68,1257 0.977,1258 0.952,1259 1.189,1260 1.226,1261 0.227,1262 1.241,1263 0.9,1264 0.836,1265 1.057,1266 1.074,1267 0.014,1268 1.055,1269 0.828,1270 0.786,1271 0.962,1272 1.018,1274 1.039,1275 0.699,1276 0.663,1277 0.779,1278 0.851,1280 0.878,1281 0.394,1282 0.33,1283 0.598,1284 0.654,1286 0.658,1287 3.85,1289 5.209,1290 2.398,1291 6.767,1292 4.727,1293 8.416,1294 6.862,1295 10.112,1296 2.936,1299 27.817,1301 5.251,1314 21.844,1315 57.651,1316 108.241,1317 123.851,1318 132.606,1319 132.606,1320 132.606,1321 49.649,1322 6.889,1323 55.98,1324 84.22,1325 17,1326 12.487,1327 4.17,1328 3.322,1329 31.972,1330 58,1331 55,1332 0.279,1333 142.49,1334 240.58,1335 339.435,1336 7630,1337 10.7,1338 15.146,1339 0.721,1340 0.608,1341 14.759,1342 12.764,1343 9.986,1344 0.434,1345 0.322,1346 5.828,1347 8.617,1348 5.618,1349 4.586,1350 10.133,1351 7.409,1352 9.431,1353 0.277,1354 0.183,1355 9.973,1356 6.235,1357 8.299,1358 0.177,1359 0.1,1360 8.51,1361 4.711,1362 6.457,1363 0.106,1364 0.053,1365 6.894,1366 3.243,1367 5.21,1368 0.067,1369 0.028,1370 6.06,1371 2.212,1372 0.417,1373 75.469,1374 0.26,1375 20.171,1376 0.832,1377 114,1378 488.43,1379 217.784,1380 479.987,1381 618.6,1382 442,1383 138,1384 392.737,1385 212.348,1386 416.662,1387 616.82,1388 391,1389 5.8}
{0 CHEMBL1999931,1 1.531,2 12.933,3 4.233,4 17.918,5 116.156,6 8.218,7 0.794,8 4.003,9 4.122,10 3.667,11 3.599,12 5.195,13 3.593,14 4.468,15 4.61,16 4.008,17 3.981,18 5.626,19 3.957,20 4.685,21 4.876,22 3.986,23 4.037,24 5.79,25 3.983,26 4.723,27 4.947,28 3.926,29 3.936,30 5.842,31 3.889,32 4.608,33 4.826,34 3.901,35 3.841,36 5.786,37 3.822,38 4.51,39 4.71,40 3.863,41 3.829,42 5.665,43 3.802,44 4.501,45 4.713,46 3.793,47 3.818,48 5.618,49 3.769,50 4.408,51 4.61,52 3.63,53 3.777,54 5.495,55 3.699,56 0.104,57 0.765,58 7.871,59 3.792,60 8.708,61 4.602,62 0.164,63 1.186,64 13.586,65 6.176,66 14.576,67 7.699,68 0.182,69 1.394,70 19.911,71 8.137,72 28.727,73 10.453,74 0.324,75 1.429,76 23.17,77 7.906,78 42.597,79 10.253,80 0.33,81 1.278,82 20.754,83 6.78,84 44.743,85 8.587,86 0.279,87 1.208,88 17.362,89 6.131,90 32.193,91 7.709,92 0.339,93 1.192,94 17.628,95 6.428,96 30.523,97 8.282,98 0.202,99 1.018,100 15.786,101 6.46,102 28.705,103 8.422,104 2,105 47,106 0.253,107 0.553,108 0.673,109 0.804,110 0.854,111 0.86,112 3.44,113 0.843,114 -5.02,115 -4.92,116 -4.61,119 47.9,125 1,142 13,143 4,146 2,151 1,153 1,158 1,166 2,168 1,172 16,174 1,175 5,178 1,179 1,180 3,183 16,188 11,191 1,193 5,196 8,200 15,203 1,205 7,208 1,212 1,213 12,218 4,221 4,224 1,225 7,228 2,230 2,233 10,237 2,238 4,241 4,243 1,246 16,249 1,250 2,258 16,263 2,264 5,269 2,272 10,276 1514,277 20.878,278 20.878,279 20.878,280 20.878,281 20.878,282 17.623,283 15.901,284 12.514,285 21.073,286 16.847,287 16.847,288 16.847,289 16.847,290 16.847,291 12.012,292 24.25,293 6.023,294 17.152,295 4.054,296 2.238,297 1.508,298 0.714,299 0.417,300 0.375,301 4.154,305 1,306 1,307 866,308 3,311 149.537,312 281.398,315 124.296,319 2.133,320 20.52,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 64,332 388,333 4.578,334 3.579,335 6.577,336 4.113,337 3.136,338 4.522,339 1.058,340 10.481,341 3.064,342 4.242,343 3.125,344 6.151,345 3.849,346 2.876,347 3.879,348 0.522,349 9.127,350 2.814,351 4.129,352 2.959,353 6.015,354 3.747,355 2.748,356 3.67,358 8.545,359 2.723,360 3.913,361 2.693,362 5.547,363 3.539,364 2.55,365 3.45,367 7.554,368 2.521,369 3.587,370 2.232,371 5.137,372 3.14,373 2.167,374 3.02,376 6.167,377 2.103,378 3.394,379 2.179,380 5.042,381 2.948,382 1.983,383 2.732,385 5.946,386 1.912,387 3.18,388 1.985,389 4.352,390 2.689,391 1.687,392 2.445,394 4.111,395 1.681,396 2.939,397 1.563,398 4.221,399 2.483,400 1.496,401 2.123,403 3.862,404 1.476,405 2.784,406 1.355,407 3.997,408 2.298,409 1.321,410 1.912,412 3.209,413 1.288,414 2.635,415 1.323,416 3.576,417 2.158,418 1.179,419 1.688,421 2.948,422 1.151,423 2.531,424 1.2,425 3.45,426 2.009,427 1.01,428 1.5,430 2.448,431 1.002,432 2.5,433 1,434 3.279,435 2,436 1,437 1.5,439 2.136,440 1,441 2.5,442 1,443 3.247,444 2,445 1,446 1.485,448 2.136,449 1,450 2.206,451 0.819,452 3.247,453 1.706,454 0.724,455 1.063,457 1.733,458 0.709,459 2.087,460 0.674,461 3.223,462 1.591,463 0.599,464 0.881,466 1.486,467 0.592,468 14.233,469 0.474,470 0.585,471 0.019,472 45,473 1.5,474 26,475 0.867,476 19,477 0.633,478 19.281,479 0.643,480 29.567,481 0.616,482 33.227,483 1.108,484 9.218,485 0.307,486 5.541,487 0.185,488 0.023,490 0.309,496 0.614,497 0.928,498 0.686,499 0.853,500 0.564,501 0.792,502 0.692,503 1.133,504 0.847,505 1.037,506 0.619,507 0.976,508 0.962,509 1.209,510 1.011,511 1.164,512 0.925,513 1.109,514 1.312,515 1.164,516 1.048,517 1.013,518 1.243,519 0.99,520 1.514,521 1.077,522 0.946,523 0.833,524 1.487,525 0.807,526 1.249,527 1.022,528 0.98,529 0.893,530 1.135,531 0.891,532 0.975,533 0.746,534 1.006,535 0.863,536 0.956,537 0.92,538 0.862,539 0.924,540 1.044,541 1.022,542 0.878,543 1.053,544 5,545 0.101,546 2.889,547 1.576,548 1.161,549 0.893,550 0.501,551 0.353,552 0.191,553 0.204,554 13622,555 35659,556 2.207,557 37.5,559 15,560 1,562 2,567 1.726,568 2.143,569 3.655,570 0.21,572 1,577 73.468,578 1.531,579 3.347,580 4.077,581 4.871,582 5.168,583 5.21,584 3.095,585 4.323,586 4.875,587 3.812,588 1658.06,589 8.493,590 23500.7,592 1,594 1,595 268.078,596 1.075,597 4.87,598 0.147,599 0.004,600 0.061,601 0.036,602 0.029,603 0.022,604 0.013,605 0.01,606 0.006,607 0.007,608 0.336,609 0.17,610 0.88,611 0.327,612 155.863,613 0.147,614 0.17,615 0.057,616 0.056,617 -0.019,618 0.041,619 0.109,620 -0.072,621 -0.046,622 -0.11,623 0.013,624 -0.106,625 -0.045,626 -0.219,627 -0.084,628 -0.197,629 -0.026,630 -0.157,631 -0.099,632 -0.157,633 -0.021,634 -0.065,635 -0.036,636 -0.035,637 -0.134,638 -0.052,639 0.085,640 0.102,641 -0.017,642 0.125,643 -0.079,644 0.038,645 -0.022,646 0.025,647 -0.057,648 0.011,649 0.083,650 0.299,651 -0.037,652 0.074,653 -0.035,654 0.012,655 -0.017,656 0.032,657 -0.098,658 -0.022,659 0.014,660 -0.06,661 1.861,662 5.503,663 0.867,664 34.329,665 1.005,666 1.119,667 3.793,668 14.39,669 0.71,670 3.555,671 3.871,672 4.159,673 4.431,674 4.625,675 4.71,676 4.898,677 5.056,678 5.165,679 5.283,680 7.436,681 0.688,682 394.47,683 3.555,684 5.094,685 5.948,686 6.821,687 7.69,688 8.57,689 9.446,690 10.33,691 11.211,692 12.098,693 12.5,700 1,701 2,703 3,708 2,709 14,710 3,711 1,714 5,715 1,716 27,723 1,735 48,737 28,738 3,739 34,741 52,742 23,743 21,744 5,745 13,746 1,748 5,749 6,762 22,763 1,767 1,772 1,776 1,780 1,783 18,784 5,785 2,786 7,792 6,797 0.8,798 1,807 1,815 2,816 3,819 1,843 4,851 30,858 1,860 1,871 1,874 2.1,877 1,881 14,882 8.633,883 6.528,884 2.751,886 4.872,887 1.596,888 1.053,889 4.837,890 13.05,891 3.902,892 4.538,893 5.165,894 5.779,895 6.272,896 6.591,897 7.099,898 7.569,899 7.929,900 8.333,901 0.889,902 44,903 11.024,905 4.74,906 7.694,907 20.995,909 17.303,911 2.194,912 65.833,915 1,916 188.338,917 158.407,918 86.317,920 25.145,923 158.407,924 213.483,925 86.317,927 20.116,928 132.239,929 79.716,930 37.798,931 11.771,932 176.567,934 188.338,935 244.724,936 25.145,939 188.338,940 25.145,943 45.785,944 149.073,945 49.867,947 188.338,948 111.462,949 158.407,952 188.338,953 26.169,954 134.015,955 34.674,956 75.011,957 188.338,958 111.462,959 158.407,961 0.577,962 0.337,963 0.185,964 0.097,965 24,966 9,967 0.096,968 5,969 1,970 1.077,971 4.348,972 270.448,973 0.077,974 26,975 139.207,981 18.286,982 7.936,983 3.894,984 1.577,985 93.022,986 26.898,987 12.827,988 2.908,991 3.954,992 1.808,993 34.674,994 458.207,995 48.5,1000 12.503,1004 -0.194,1007 48.24,1008 53.69,1009 0.274,1010 0.599,1011 0.73,1012 0.872,1013 0.925,1014 0.933,1015 5.11,1016 1.496,1017 5.911,1018 4.111,1019 4.554,1020 5.226,1021 1.331,1022 6.698,1023 4.518,1024 6.321,1025 1.321,1026 7.447,1027 3.862,1028 4.007,1029 4.902,1031 7.516,1032 3.951,1033 7.621,1034 1.179,1035 9.083,1036 3.209,1037 6.12,1038 7.458,1039 1.297,1040 10.625,1041 6.045,1042 8.959,1043 1.01,1044 10.78,1045 2.948,1046 6.447,1047 8.034,1049 12.305,1050 6.35,1051 10.331,1052 1,1053 12.516,1054 2.448,1055 7.971,1056 9.982,1057 1.348,1058 14.892,1059 7.857,1060 11.727,1061 1,1062 14.28,1063 2.136,1064 8.703,1065 10.999,1067 16.926,1068 8.565,1069 13.141,1070 0.724,1071 16.063,1072 2.136,1073 9.982,1074 12.684,1075 1.425,1076 19.335,1077 9.826,1078 3.136,1079 0.599,1080 17.86,1081 1.733,1082 10.909,1083 13.931,1085 21.526,1086 10.729,1087 2.876,1088 10.481,1089 19.669,1090 1.486,1091 12.084,1092 15.499,1093 1.51,1094 23.873,1095 11.885,1096 2.748,1097 9.127,1098 21.486,1099 4.522,1100 13.105,1101 16.866,1103 26.135,1104 12.881,1105 2.55,1106 8.545,1107 23.311,1108 3.879,1109 14.238,1110 18.385,1111 1.599,1112 28.465,1113 13.994,1114 2.167,1115 7.554,1116 25.141,1117 3.67,1118 15.307,1119 19.814,1121 30.763,1122 15.037,1123 1.983,1124 6.167,1125 26.976,1126 3.45,1127 16.426,1128 21.316,1129 1.69,1130 33.09,1131 16.134,1132 1.687,1133 5.946,1134 28.815,1135 3.02,1136 17.519,1137 22.778,1139 35.406,1140 17.201,1141 12478,1142 20366,1143 23.75,1144 34.057,1145 51.614,1146 51.901,1147 51.207,1148 50.979,1149 50.952,1150 71.74,1151 3.16,1152 143.777,1153 50.076,1154 5.411,1155 5.579,1156 6.379,1157 5.151,1158 5.136,1159 7.522,1160 2.117,1161 17.285,1162 5.064,1163 7.08,1164 1.518,1165 1.527,1166 1.506,1167 1.499,1168 1.499,1169 2.11,1170 0.093,1171 4.229,1172 1.473,1173 4.131,1174 4.173,1175 4.101,1176 4.021,1177 7.429,1178 4.034,1179 3.95,1180 4.001,1181 3.897,1182 3.856,1183 5.139,1184 3.854,1185 3.904,1186 3.931,1187 3.843,1188 3.84,1189 5.027,1190 3.836,1191 3.772,1192 3.829,1193 3.724,1194 3.567,1195 4.741,1196 3.605,1197 3.417,1198 3.475,1199 3.347,1200 3.21,1201 4.721,1202 3.237,1203 3.216,1204 3.261,1205 3.154,1206 3.015,1207 4.325,1208 3.036,1209 3.038,1210 3.104,1211 2.911,1212 2.899,1213 3.924,1214 2.896,1215 2.862,1216 2.925,1217 2.757,1218 2.735,1219 3.8,1220 2.723,1221 0.135,1222 0.105,1223 0.193,1224 0.121,1225 0.092,1226 4.578,1227 0.133,1228 3.579,1229 0.031,1230 6.577,1231 0.308,1232 4.113,1233 0.09,1234 3.136,1235 4.522,1236 1.058,1237 10.481,1238 3.064,1239 1.951,1240 1.931,1241 2.046,1242 2.03,1243 1.185,1244 2.034,1245 1.913,1246 1.883,1247 2.026,1248 2.009,1249 1.151,1250 2.016,1251 1.894,1252 1.869,1253 2,1254 1.974,1255 1.072,1256 1.984,1257 1.464,1258 1.408,1259 1.618,1260 1.745,1261 0.76,1262 1.695,1263 1.419,1264 1.347,1265 1.543,1266 1.695,1267 0.551,1268 1.67,1269 1.214,1270 1.154,1271 1.337,1272 1.455,1273 0.432,1274 1.41,1275 1.066,1276 1.033,1277 1.215,1278 1.32,1279 0.25,1280 1.279,1281 0.886,1282 0.821,1283 1.181,1284 1.071,1285 0.218,1286 1.107,1287 4.234,1289 5.549,1290 3.045,1291 7.052,1292 5.352,1293 8.635,1294 7.402,1295 10.261,1303 0.653,1305 2.9,1314 33.004,1315 73.468,1316 160.67,1317 195.708,1318 233.814,1319 248.078,1320 250.078,1321 40.079,1322 8.179,1323 88.49,1324 88.49,1325 28,1326 12.631,1327 4.858,1328 3.954,1329 41.72,1330 134,1331 134,1332 0.151,1333 201.133,1334 330.63,1335 482.525,1336 46386,1338 20.338,1339 0.678,1340 0.533,1341 20.338,1342 15.987,1343 14.759,1344 0.434,1345 0.281,1346 9.437,1347 14.276,1348 9.264,1349 7.697,1350 14.759,1351 9.551,1352 13.124,1353 0.279,1354 0.148,1355 13.124,1356 6.938,1357 11.371,1358 0.18,1359 0.077,1360 11.371,1361 4.85,1362 9.624,1363 0.116,1364 0.04,1365 9.624,1366 3.318,1367 7.58,1368 0.075,1369 0.021,1370 7.58,1371 2.169,1372 0.241,1373 91.969,1374 0.205,1375 28.712,1376 0.403,1377 162,1378 456.982,1379 175.344,1380 454.565,1381 635.75,1382 426,1383 191,1384 489.8,1385 206.149,1386 497.019,1387 720.07,1388 468,1389 6.4}
{0 CHEMBL2000071,1 1.542,2 8.35,3 1.793,4 3.216,5 80.595,6 7.454,7 0.727,8 3.696,9 3.825,10 3.261,11 3.221,12 4.826,13 3.21,14 4.183,15 4.357,16 3.56,17 3.597,18 5.257,19 3.552,20 4.391,21 4.622,22 3.572,23 3.664,24 5.343,25 3.592,26 4.358,27 4.583,28 3.562,29 3.624,30 5.392,31 3.557,32 4.351,33 4.581,34 3.461,35 3.6,36 5.326,37 3.52,38 4.329,39 4.571,40 3.374,41 3.521,42 5.342,43 3.432,44 4.234,45 4.487,46 3.115,47 3.367,48 5.197,49 3.248,50 4.085,51 4.359,52 2.764,53 3.109,54 5.095,55 2.944,56 0.041,57 0.56,58 7.411,59 2.944,60 8.752,61 3.963,62 0.175,63 0.869,64 13.117,65 4.978,66 18.99,67 6.783,68 0.14,69 0.982,70 17.649,71 6.155,72 21.137,73 8.979,74 0.277,75 0.971,76 17.005,77 5.667,78 26.906,79 8.216,80 0.162,81 0.955,82 16.803,83 5.449,84 21.401,85 8.07,86 0.222,87 0.913,88 16.783,89 5.09,90 26.691,91 7.701,92 0.155,93 0.778,94 15.58,95 4.988,96 21.265,97 7.365,98 0.244,99 0.592,100 14.222,101 4.687,102 30.203,103 6.834,104 6,105 29,106 0.279,107 0.671,108 0.813,109 0.852,110 0.866,111 0.866,112 3.059,113 0.903,114 -3.8,115 -3.76,116 -3.58,119 41.7,121 1,125 2,142 5,143 3,147 1,148 1,151 1,161 1,172 8,174 1,175 2,178 2,180 5,183 9,188 2,193 2,196 7,200 3,203 2,204 2,205 3,208 4,213 4,218 4,221 2,225 5,228 1,230 5,233 1,238 2,243 2,246 2,253 1,254 1,255 1,258 2,269 2,272 1,276 528,277 14.113,278 14.113,279 14.113,280 14.113,281 14.113,282 12.275,283 8.984,284 8.815,285 14.399,286 10.874,287 10.874,288 10.874,289 10.874,290 10.874,291 8.156,292 14.205,293 4.153,294 11.333,295 3.628,296 1.466,297 0.677,298 0.465,299 0.389,300 0.389,301 3.744,304 1,305 1,306 1,307 357,308 2.55,311 37.852,312 102.751,315 73.196,319 1.22,320 14.044,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 43,332 167,333 4.674,334 3.264,335 6.908,336 4.216,337 3.24,338 4.631,339 0.4,340 11.616,341 3.167,342 3.951,343 2.595,344 5.872,345 3.532,346 2.554,347 3.528,349 8.098,350 2.494,351 3.5,352 2.245,353 5.203,354 3.054,355 2.13,356 2.878,358 6.25,359 1.967,360 3.245,361 1.817,362 4.547,363 2.736,364 1.763,365 2.598,367 4.46,368 1.712,369 2.813,370 1.763,371 3.906,372 2.563,373 1.607,374 1.958,376 3.165,377 1.53,378 2.66,379 1.341,380 3.635,381 2.284,382 1.33,383 1.667,385 3,386 1.265,387 2.5,388 1.215,389 3.495,390 2,391 1,392 1.5,394 2.469,395 1,396 2.5,397 1,398 3.313,399 1.959,400 1,401 1.5,403 2.136,404 0.957,405 2.203,406 1,407 3.247,408 1.816,409 0.899,410 1.11,412 1.963,413 0.821,414 1.748,415 0.685,416 2.811,417 1.461,418 0.545,419 0.653,421 1.049,422 0.497,423 1.033,424 0.07,425 2.347,426 0.725,427 -0.183,428 -0.207,430 -0.336,431 -0.165,432 0.828,433 -0.531,434 2.31,435 0.378,436 -0.593,437 -0.809,439 -1.407,440 -0.573,441 0.507,442 -0.594,443 2,444 0.182,445 -0.729,446 -0.877,448 -1.478,449 -0.661,450 0.5,451 -1,452 1.881,454 -1,455 -1.5,457 -2.347,458 -0.955,459 0.5,460 -1,461 1.606,462 -0.046,463 -1,464 -1.5,466 -2.517,467 -1,468 9.433,469 0.472,470 0.274,471 0.014,472 27.75,473 1.388,474 14.5,475 0.725,476 13.25,477 0.663,478 12.706,479 0.635,480 21.167,481 0.588,482 17.613,483 0.881,484 5.585,485 0.279,486 4.313,487 0.216,488 0.035,490 0.265,496 1.048,497 1.297,498 0.824,499 0.994,500 0.97,501 0.894,502 0.924,503 0.979,504 0.964,505 0.978,506 0.937,507 0.98,508 0.848,509 1.132,510 0.821,511 0.948,512 0.786,513 0.892,514 0.834,515 0.95,516 0.931,517 0.908,518 0.802,519 0.929,520 1.012,521 1.152,522 1.066,523 1.037,524 0.784,525 1.043,526 1.011,527 1.088,528 1.126,529 1.029,530 0.746,531 1.064,532 1.092,533 1.057,534 1.182,535 1.142,536 0.973,537 1.156,538 0.945,539 0.82,540 1.116,541 1.083,542 1.163,543 1.123,544 2,545 0.021,546 1.778,547 1.125,548 0.854,549 0.434,550 0.217,551 0.176,552 0.084,553 0.026,554 3591,555 9616,556 2.138,557 44.4,559 9,560 1,561 1,562 3,565 2,567 1.623,568 2.069,569 3.041,570 1.103,572 1,574 1,577 55.514,578 1.542,579 3.704,580 4.493,581 4.705,582 4.781,583 4.781,584 2.471,585 3.884,586 4.286,587 3.137,588 596.009,589 7.352,590 5984.34,591 1,592 1,594 1,595 186.117,596 1.076,597 4.283,598 0.091,599 0.007,600 0.061,601 0.039,602 0.031,603 0.017,604 0.01,605 0.011,606 0.008,607 0.005,608 0.28,609 0.5,610 1,611 1.297,612 87.493,613 -0.14,614 -0.117,615 0.021,616 0.03,617 -0.12,618 0.044,619 0.002,620 0.143,621 -0.075,622 0.016,623 -0.092,624 -0.039,625 -0.03,626 -0.143,627 0.127,628 0.045,629 -0.027,630 0.096,631 0.118,632 0.096,633 0.022,634 0.045,635 0.008,636 0.016,637 -0.158,638 -0.113,639 -0.124,640 -0.084,641 -0.093,642 -0.093,643 -0.083,644 -0.051,645 -0.162,646 -0.104,647 0.002,648 -0.131,649 -0.149,650 -0.089,651 -0.204,652 -0.195,653 -0.079,654 -0.196,655 0.167,656 0.036,657 -0.088,658 -0.112,659 0.122,660 -0.129,661 1.333,662 2.871,663 0.75,664 14.52,665 1.001,666 1.13,667 2.571,668 6.608,669 0.668,670 3.135,671 3.401,672 3.714,673 4.025,674 4.234,675 4.29,676 4.394,677 4.466,678 4.394,679 4.331,680 4.874,681 0.638,682 268.35,683 3.135,684 4.635,685 5.485,686 6.358,687 7.238,688 8.129,689 9.022,690 9.921,691 10.82,692 11.723,693 11.1,698 1,701 1,703 2,708 2,709 7,710 2,711 1,714 3,716 16,728 1,735 36,737 16,738 1,739 22,741 38,742 15,743 12,744 1,745 5,748 3,749 4,754 1,760 1,762 12,763 3,779 1,780 1,783 16,784 4,785 3,786 5,792 4,797 0.667,798 1,799 1,810 1,811 1,815 1,816 2,819 1,841 1,843 2,851 20,857 1,858 3,860 1,874 2.8,875 1,881 9.667,882 6.183,883 4.611,884 2.111,886 3.17,887 1.469,888 0.984,889 3.836,890 9.927,891 3.434,892 4.039,893 4.715,894 5.39,895 5.936,896 6.274,897 6.725,898 7.15,899 7.339,900 7.614,901 0.833,902 29,903 7.338,905 3.042,906 7.692,907 14.1,909 11.364,911 2.192,912 43.833,913 0.001,916 153.024,917 82.675,918 68.367,920 42.683,923 82.675,924 195.708,925 68.367,927 4.64,928 99.112,929 65.068,930 34.348,931 14.099,932 129.482,934 153.024,935 151.042,936 42.683,939 129.482,940 23.542,941 42.683,943 31.76,944 67.701,945 51.582,947 153.024,948 111.051,949 82.675,952 153.024,953 17.628,954 65.047,955 34.796,956 76.254,957 153.024,958 111.051,959 82.675,961 0.552,962 0.328,963 0.194,964 0.109,965 14,966 5,967 0.132,968 5,969 1,970 1.133,971 3.288,972 150.784,973 0.133,974 15,975 82.439,981 12.943,982 5.927,983 2.635,984 1.794,985 94.265,986 13.629,987 8.573,988 3.177,991 2.995,993 77.48,994 346.75,995 30,1007 36.036,1008 40.694,1009 0.298,1010 0.716,1011 0.869,1012 0.91,1013 0.925,1014 0.925,1015 4.615,1016 1,1017 5.425,1018 2.469,1019 4.078,1020 4.723,1021 0.278,1022 6.236,1023 4.003,1024 5.802,1025 0.899,1026 6.967,1027 2.136,1028 3.434,1029 4.407,1031 7.186,1032 3.358,1033 7.098,1034 0.545,1035 8.627,1036 1.963,1037 5.631,1038 6.995,1039 0.05,1040 10.371,1041 5.503,1042 8.445,1043 -0.183,1044 10.363,1045 1.049,1046 5.969,1047 7.677,1049 12.269,1050 5.844,1051 9.837,1052 -0.593,1053 12.152,1054 -0.336,1055 7.537,1056 9.634,1057 0.008,1058 14.948,1059 7.371,1060 11.262,1061 -0.729,1062 13.976,1063 -1.407,1064 8.34,1065 10.779,1067 17.192,1068 8.171,1069 12.713,1070 -1,1071 15.825,1072 -1.478,1073 9.656,1074 12.48,1075 0.001,1076 19.717,1077 9.455,1078 3.24,1079 -1,1080 17.692,1081 -2.347,1082 10.67,1083 13.841,1085 22.091,1086 10.457,1087 2.554,1088 11.616,1089 19.572,1090 -2.517,1091 11.89,1092 15.437,1094 24.566,1095 11.651,1096 2.13,1097 8.098,1098 21.463,1099 4.631,1100 12.995,1101 16.894,1103 26.988,1104 12.739,1105 1.763,1106 6.25,1107 23.361,1108 3.528,1109 14.181,1110 18.449,1112 29.447,1113 13.901,1114 1.607,1115 4.46,1116 25.266,1117 2.878,1118 15.325,1119 19.948,1121 31.888,1122 15.024,1123 1.33,1124 3.165,1125 27.175,1126 2.598,1127 16.5,1128 21.488,1130 34.342,1131 16.177,1132 1,1133 3,1134 29.089,1135 1.958,1136 17.661,1137 23.006,1139 36.789,1140 17.316,1141 3551,1142 5885,1143 15.197,1144 24.046,1145 32.314,1146 32.34,1147 33.143,1148 32.149,1149 32.136,1150 44.047,1151 0.8,1152 88.413,1153 30.818,1154 5.518,1155 5.264,1156 6.817,1157 5.293,1158 5.24,1159 7.631,1160 0.8,1161 18.811,1162 5.167,1163 5.824,1164 1.469,1165 1.47,1166 1.507,1167 1.461,1168 1.461,1169 2.002,1170 0.036,1171 4.019,1172 1.401,1173 4.129,1174 4.17,1175 4.101,1176 4.021,1177 6.456,1178 4.035,1179 3.819,1180 3.858,1181 3.75,1182 3.727,1183 5.124,1184 3.73,1185 3.636,1186 3.706,1187 3.482,1188 3.447,1189 4.741,1190 3.443,1191 3.318,1192 3.396,1193 3.231,1194 3.091,1195 4.457,1196 3.117,1197 3.089,1198 3.17,1199 2.96,1200 2.812,1201 4.19,1202 2.837,1203 2.854,1204 2.925,1205 2.721,1206 2.735,1207 3.791,1208 2.715,1209 2.854,1210 2.923,1211 2.687,1212 2.661,1213 3.674,1214 2.664,1215 2.643,1216 2.719,1217 2.49,1218 2.43,1219 3.547,1220 2.435,1221 0.212,1222 0.148,1223 0.314,1224 0.192,1225 0.147,1226 4.674,1227 0.211,1228 3.264,1229 0.018,1230 6.908,1231 0.528,1232 4.216,1233 0.144,1234 3.24,1235 4.631,1236 0.4,1237 11.616,1238 3.167,1239 1.943,1240 1.92,1241 2.039,1242 2.038,1243 1.191,1244 2.031,1245 1.777,1246 1.731,1247 1.912,1248 1.953,1249 1.132,1250 1.946,1251 1.584,1252 1.519,1253 1.778,1254 1.813,1255 0.874,1256 1.817,1257 1.418,1258 1.36,1259 1.573,1260 1.622,1261 0.593,1262 1.614,1263 1.007,1264 0.924,1265 1.333,1266 1.344,1267 0.476,1268 1.342,1269 0.896,1270 0.821,1271 1.181,1272 1.132,1273 0.218,1274 1.133,1275 0.886,1276 0.816,1277 1.116,1278 1.062,1279 0.126,1280 1.107,1281 0.66,1282 0.598,1283 0.942,1284 0.891,1286 0.907,1287 3.807,1289 5.081,1290 2.398,1291 6.575,1292 4.727,1293 8.178,1294 6.862,1295 9.842,1302 8.871,1303 1.54,1305 3.254,1314 22.961,1315 55.514,1316 133.346,1317 161.753,1318 169.362,1319 172.117,1320 172.117,1321 23.656,1322 6.757,1323 73.83,1324 73.83,1325 17,1326 12.244,1327 4.087,1328 3.17,1329 29.778,1330 55,1331 74,1332 0.264,1333 143.157,1334 232.59,1335 341.063,1336 6878,1338 13.786,1339 0.689,1340 0.55,1341 13.786,1342 11.004,1343 9.898,1344 0.45,1345 0.301,1346 6.529,1347 9.542,1348 6.428,1349 5.34,1350 9.898,1351 6.621,1352 8.163,1353 0.281,1354 0.156,1355 8.163,1356 4.518,1357 7.037,1358 0.176,1359 0.08,1360 7.037,1361 3.182,1362 6.153,1363 0.112,1364 0.041,1365 6.153,1366 2.228,1367 4.959,1368 0.073,1369 0.021,1370 4.959,1371 1.46,1372 0.399,1373 61.913,1374 0.257,1375 19.7,1376 0.773,1377 102,1378 282.106,1379 110.489,1380 277.133,1381 386.01,1382 262,1383 120,1384 286.107,1385 128.49,1386 291.773,1387 427.97,1388 276,1389 6.9}
{0 CHEMBL2000078,1 1.615,2 16.5,3 6.573,4 43.202,5 180.452,6 7.998,7 0.635,8 4.486,9 4.596,10 4.151,11 4.058,12 5.583,13 4.037,14 5.013,15 5.167,16 4.516,17 4.435,18 6.089,19 4.4,20 5.229,21 5.425,22 4.518,23 4.549,24 6.244,25 4.489,26 5.234,27 5.435,28 4.533,29 4.57,30 6.257,31 4.503,32 5.32,33 5.525,34 4.648,35 4.641,36 6.403,37 4.573,38 5.361,39 5.568,40 4.636,41 4.66,42 6.406,43 4.577,44 5.317,45 5.525,46 4.609,47 4.604,48 6.359,49 4.527,50 5.288,51 5.494,52 4.58,53 4.576,54 6.335,55 4.515,56 0.04,57 1.199,58 14.973,59 6.994,60 9.919,61 8.516,62 0.414,63 1.974,64 30.772,65 11.64,66 35.15,67 14.378,68 0.618,69 2.319,70 40.414,71 14.583,72 53.273,73 18.412,74 0.335,75 2.367,76 38.493,77 15.159,78 42.801,79 19.973,80 0.577,81 2.593,82 44.225,83 16.172,84 67.914,85 21.031,86 0.65,87 2.679,88 49.493,89 17.777,90 66.692,91 22.229,92 0.594,93 2.544,94 47.48,95 16.642,96 66.659,97 21.666,98 0.641,99 2.467,100 45.554,101 15.437,102 63.643,103 19.38,104 7,105 72,106 0.242,107 0.578,108 0.761,109 0.859,110 0.874,111 0.874,112 3.853,113 0.93,114 -4.4,115 -4.33,116 -4.08,119 44.3,120 1,121 1,125 5,142 13,143 2,144 4,145 1,146 2,150 1,151 2,152 1,158 1,162 1,172 12,174 2,175 10,178 3,180 4,183 13,187 2,188 8,191 1,193 4,196 7,199 1,200 14,203 1,205 5,208 5,212 2,213 13,216 2,218 3,221 10,224 4,225 8,228 2,230 2,233 10,237 2,238 10,241 2,243 5,246 9,249 2,250 12,255 1,258 11,263 4,264 10,267 1,268 1,272 15,276 5282,277 32.109,278 32.109,279 32.109,280 32.109,281 32.109,282 28.155,283 33.98,284 19.381,285 33.166,286 25.777,287 25.777,288 25.777,289 25.777,290 25.777,291 19.764,292 52.817,293 9.232,294 27.413,295 4.689,296 2.443,297 1.22,298 0.567,299 0.465,300 0.465,301 4.577,306 1,307 1688,308 3.808,311 226.062,312 718.159,314 183.899,319 2.717,320 35.895,323 0.75,324 0.33,325 0.67,326 0.7,327 0.5,328 0.83,329 1,330 0.68,331 98.5,332 759,333 4.739,334 3.636,335 7.022,336 4.271,337 3.33,338 4.681,339 1.987,340 12.066,341 3.15,342 4.285,343 3.333,344 6.234,345 3.882,346 2.925,347 3.939,348 0.86,349 9.393,350 2.798,351 4.195,352 3.143,353 6.17,354 3.851,355 2.902,356 3.777,357 0.86,358 9.189,359 2.756,360 4.036,361 3.073,362 5.929,363 3.608,364 2.666,365 3.639,366 0.8,367 8.228,368 2.601,369 3.956,370 2.819,371 5.789,372 3.574,373 2.602,374 3.475,375 0.4,376 8.067,377 2.438,378 3.801,379 2.608,380 5.493,381 3.373,382 2.444,383 3.237,384 0.324,385 7.361,386 2.278,387 3.627,388 2.516,389 5.474,390 3.309,391 2.354,392 2.893,394 7.231,395 2.216,396 3.491,397 2.476,398 5.052,399 3.091,400 2.095,401 2.728,403 6.001,404 2.073,405 3.385,406 2.281,407 4.859,408 2.967,409 2.039,410 2.664,412 5.588,413 1.88,414 2.97,415 2.064,416 4.552,417 2.656,418 1.734,419 2.118,421 4.403,422 1.595,423 2.922,424 1.969,425 4.489,426 2.51,427 1.559,428 2.113,430 4.26,431 1.481,432 2.899,433 1.561,434 4.358,435 2.399,436 1.441,437 2.054,439 4.124,440 1.371,441 2.86,442 1.55,443 4.238,444 2.338,445 1.423,446 1.973,448 3.787,449 1.326,450 2.802,451 1.462,452 3.567,453 2.326,454 1.339,455 1.902,457 2.969,458 1.281,459 2.656,460 1.4,461 3.55,462 2.211,463 1.259,464 1.716,466 2.811,467 1.193,468 22.133,469 0.481,470 0.876,471 0.019,472 64.75,473 1.408,474 33.5,475 0.728,476 31.25,477 0.679,478 41.887,479 0.911,480 47.467,481 0.601,482 56.257,483 1.223,484 12.673,485 0.276,486 9.967,487 0.217,488 0.038,490 0.307,496 0.86,497 1.313,498 0.722,499 0.997,500 0.666,501 0.896,502 1.093,503 1.127,504 0.897,505 0.99,506 0.739,507 0.92,508 1.271,509 0.972,510 0.943,511 0.834,512 1.158,513 0.889,514 0.869,515 1.144,516 0.804,517 0.964,518 0.814,519 0.983,520 0.949,521 1.025,522 0.852,523 0.901,524 1.178,525 0.912,526 1.082,527 0.976,528 1.05,529 0.977,530 1.209,531 0.953,532 0.946,533 1.125,534 0.945,535 1.038,536 1.151,537 0.969,538 1.268,539 0.995,540 0.991,541 0.896,542 1.283,543 0.88,544 7.5,545 0.403,546 3.778,547 2.882,548 2.255,549 1.331,550 1.206,551 0.682,552 0.623,553 0.393,554 41336,555 104805,556 2.196,557 41.8,559 23,560 2,561 1,562 2,563 2,564 3,567 1.836,568 2.123,569 3.975,570 0.105,577 127.602,578 1.615,579 3.861,580 5.084,581 5.737,582 5.839,583 5.839,584 3.477,585 5.203,586 5.49,587 4.158,588 4303.03,589 9.762,590 82583.3,595 497.999,596 1.121,597 5.483,598 0.144,599 0.006,600 0.052,601 0.039,602 0.03,603 0.017,604 0.015,605 0.009,606 0.008,607 0.005,608 0.327,609 0.17,610 0.75,611 0.557,612 270.69,613 -0.04,614 -0.196,615 0.074,616 -0.045,617 -0.046,618 0.001,619 0.017,620 -0.04,621 0.021,622 -0.031,623 0.033,624 -0.013,625 -0.119,626 0.059,627 -0.038,628 0.09,629 -0.107,630 0.044,631 -0.012,632 -0.126,633 0.038,634 -0.05,635 0.065,636 -0.026,637 0.033,638 0.016,639 0.071,640 0.038,641 0.056,642 0.036,643 -0.024,644 0.063,645 -0.017,646 0.021,647 -0.048,648 0.007,649 0.069,650 -0.107,651 0.064,652 -0.046,653 0.015,654 0.002,655 -0.104,656 0.053,657 -0.005,658 0.058,659 -0.109,660 0.057,661 1.792,662 6.056,663 0.826,664 68.028,665 1.003,666 1.119,667 3.166,668 10.023,669 0.696,670 3.97,671 4.29,672 4.595,673 4.92,674 5.165,675 5.288,676 5.501,677 5.67,678 5.838,679 5.979,680 9.452,681 0.662,682 631.82,683 3.97,684 5.517,685 6.378,686 7.265,687 8.145,688 9.041,689 9.931,690 10.833,691 11.73,692 12.637,693 8.9,699 1,700 1,701 2,703 3,708 1,709 16,710 3,713 1,714 10,716 33,728 1,730 1,733 1,735 79,737 34,738 3,739 52,741 85,742 35,743 27,744 6,745 12,748 7,749 8,754 1,760 1,762 28,763 7,767 1,772 1,776 1,783 33,784 9,785 2,786 11,787 1,789 1,792 7,797 0.857,798 3,810 1,815 2,816 5,818 1,829 1,842 1,843 6,845 1,847 1,851 46,858 6,860 2,861 2,864 1,868 1,874 3.8,877 1,878 1,879 1,881 21.667,882 14.5,883 10.111,884 4.831,886 6.358,887 1.659,888 1.029,889 9.238,890 16.004,891 4.256,892 4.868,893 5.482,894 6.133,895 6.684,896 7.059,897 7.576,898 8.026,899 8.497,900 8.919,901 1,902 73,903 17.009,905 7.272,906 7.605,907 32.812,909 27.113,911 2.105,912 96.833,916 364.904,917 244.32,918 90.789,920 47.145,922 31.278,923 213.042,924 412.049,925 90.789,926 8.825,927 38.534,928 139.888,929 102.977,930 67.867,931 28.198,932 360.869,934 364.904,935 303.831,936 47.145,937 31.278,939 329.591,940 71.458,941 11,943 83.116,944 170.358,945 50.357,946 31.278,947 364.904,948 137.934,949 244.32,952 364.904,953 86.56,954 162.171,955 36.022,956 97.501,957 364.904,958 137.934,959 244.32,961 0.571,962 0.335,963 0.196,964 0.109,965 35,966 14,967 0.118,968 10,969 1,970 1.053,971 5.475,972 505.178,973 0.053,974 38,975 246.084,977 1,981 30.36,982 13.997,983 6.948,984 0.833,985 136.647,986 31.31,987 14.441,990 1.546,991 7.752,993 36.022,994 747.158,995 69.5,1000 13.056,1004 -0.125,1007 79.258,1008 88.434,1009 0.256,1010 0.613,1011 0.806,1012 0.91,1013 0.926,1014 0.926,1015 5.486,1016 2.095,1017 6.344,1018 7.231,1019 4.977,1020 5.557,1021 2.502,1022 7.155,1023 4.867,1024 6.683,1025 2.039,1026 7.89,1027 6.001,1028 4.443,1029 5.27,1030 1.668,1031 8.028,1032 4.293,1033 7.983,1034 1.734,1035 9.539,1036 5.588,1037 6.558,1038 7.763,1039 3.215,1040 11.178,1041 6.351,1042 9.321,1043 1.559,1044 11.251,1045 4.403,1046 6.899,1047 8.365,1048 3.181,1049 12.953,1050 6.64,1051 10.695,1052 1.441,1053 13.006,1054 4.26,1055 8.433,1056 10.287,1057 4.337,1058 15.61,1059 8.129,1060 12.095,1061 1.423,1062 14.792,1063 4.124,1064 9.193,1065 11.331,1066 4.656,1067 17.777,1068 8.83,1069 13.516,1070 1.339,1071 16.601,1072 3.787,1073 10.489,1074 13.012,1075 5.606,1076 20.286,1077 10.083,1078 3.33,1079 1.259,1080 18.429,1081 2.969,1082 11.457,1083 14.287,1084 6.091,1085 22.629,1086 10.989,1087 2.925,1088 12.066,1089 20.272,1090 2.811,1091 12.659,1092 15.866,1093 6.928,1094 25.103,1095 12.145,1096 2.902,1097 9.393,1098 22.127,1099 4.681,1100 13.729,1101 17.264,1102 7.501,1103 27.524,1104 13.155,1105 2.666,1106 9.189,1107 23.994,1108 3.939,1109 14.9,1110 18.803,1111 8.274,1112 29.995,1113 14.276,1114 2.602,1115 8.228,1116 25.87,1117 3.777,1118 16.022,1119 20.266,1120 8.894,1121 32.451,1122 15.338,1123 2.444,1124 8.067,1125 27.755,1126 3.639,1127 17.188,1128 21.794,1129 9.631,1130 34.927,1131 16.451,1132 2.354,1133 7.361,1134 29.647,1135 3.475,1136 18.338,1137 23.291,1138 10.279,1139 37.4,1140 17.542,1141 37721,1142 60334,1143 36.175,1144 54.949,1145 77.867,1146 78.879,1147 78.875,1148 77.198,1149 77.327,1150 102.747,1151 10.462,1152 219.903,1153 73.001,1154 5.739,1155 5.636,1156 6.824,1157 5.416,1158 5.33,1159 7.681,1160 3.497,1161 19.445,1162 5.15,1163 13.672,1164 1.497,1165 1.517,1166 1.517,1167 1.485,1168 1.487,1169 1.976,1170 0.201,1171 4.229,1172 1.404,1173 4.162,1174 4.197,1175 4.359,1176 4.069,1177 7.429,1178 4.058,1179 3.964,1180 4.004,1181 3.94,1182 3.874,1183 5.104,1184 3.869,1185 3.933,1186 3.964,1187 3.885,1188 3.849,1189 4.928,1190 3.85,1191 3.862,1192 3.887,1193 3.824,1194 3.794,1195 4.812,1196 3.785,1197 3.761,1198 3.815,1199 3.757,1200 3.613,1201 4.748,1202 3.617,1203 3.659,1204 3.704,1205 3.552,1206 3.475,1207 4.734,1208 3.484,1209 3.477,1210 3.54,1211 3.414,1212 3.281,1213 4.58,1214 3.294,1215 3.455,1216 3.494,1217 3.342,1218 3.265,1219 4.359,1220 3.26,1221 0.091,1222 0.07,1223 0.135,1224 0.082,1225 0.064,1226 4.739,1227 0.09,1228 3.636,1229 0.038,1230 7.022,1231 0.232,1232 4.271,1233 0.061,1234 3.33,1235 4.681,1236 1.987,1237 12.066,1238 3.15,1239 1.942,1240 1.918,1241 2.048,1242 2.067,1243 1.237,1244 2.057,1245 1.92,1246 1.888,1247 2.033,1248 2.037,1249 1.172,1250 2.036,1251 1.9,1252 1.874,1253 1.993,1254 1.991,1255 1.129,1256 1.997,1257 1.772,1258 1.732,1259 1.872,1260 1.945,1261 1.023,1262 1.927,1263 1.628,1264 1.574,1265 1.829,1266 1.834,1267 0.946,1268 1.836,1269 1.48,1270 1.43,1271 1.782,1272 1.705,1273 0.9,1274 1.731,1275 1.456,1276 1.387,1277 1.592,1278 1.693,1279 0.825,1280 1.665,1281 1.402,1282 1.367,1283 1.576,1284 1.62,1285 0.709,1286 1.603,1287 4.654,1289 5.974,1290 3.045,1291 7.487,1292 5.416,1293 9.091,1294 7.535,1295 10.744,1297 1.921,1303 3.902,1305 6.451,1306 11.396,1309 2.312,1314 52.33,1315 127.602,1316 305.025,1317 401.628,1318 453.244,1319 461.244,1320 461.244,1321 69.447,1322 9.645,1323 105.91,1324 134.15,1325 40,1326 13.156,1327 5.129,1328 4.209,1329 64.159,1330 253,1331 288,1332 0.117,1333 318.59,1334 541.78,1335 769.12,1336 293710,1338 31.296,1339 0.68,1340 0.569,1341 31.65,1342 26.166,1343 22.64,1344 0.435,1345 0.31,1346 15.1,1347 21.312,1348 14.729,1349 12.138,1350 23.095,1351 16.121,1352 20.014,1353 0.278,1354 0.162,1355 20.597,1356 11.632,1357 17.067,1358 0.174,1359 0.086,1360 17.691,1361 8.43,1362 15.239,1363 0.112,1364 0.046,1365 15.947,1366 6.26,1367 12.496,1368 0.072,1369 0.024,1370 13.111,1371 4.212,1372 0.186,1373 146.069,1374 0.166,1375 40.241,1376 0.317,1377 248,1378 702.958,1379 295.351,1380 699.249,1381 978.47,1382 662,1383 294,1384 723.423,1385 337.167,1386 743.209,1387 1096.95,1388 703,1389 7}
{0 CHEMBL2000104,1 1.802,2 9.348,3 2.228,4 4.964,5 91.282,6 9.364,7 0.64,8 3.725,9 3.798,10 3.685,11 3.449,12 4.89,13 3.367,14 4.227,15 4.33,16 4.016,17 3.847,18 5.639,19 3.752,20 4.447,21 4.568,22 4.057,23 3.927,24 5.769,25 3.832,26 4.476,27 4.612,28 3.847,29 3.857,30 5.809,31 3.768,32 4.399,33 4.595,34 3.664,35 3.743,36 5.54,37 3.622,38 4.281,39 4.491,40 3.604,41 3.605,42 5.455,43 3.458,44 4.059,45 4.255,46 3.47,47 3.378,48 5.261,49 3.241,50 3.906,51 4.042,52 3.562,53 3.229,54 5.443,55 3.141,56 0.095,57 0.526,58 7.238,59 3.886,60 19.6,61 3.71,62 0.271,63 0.841,64 13.77,65 6.786,66 60.983,67 6.909,68 0.336,69 1.047,70 24.687,71 9.263,72 51.61,73 8.589,74 0.399,75 1.021,76 19.325,77 8.32,78 72.808,79 7.882,80 0.283,81 0.966,82 17.414,83 7.664,84 46.476,85 8.871,86 0.282,87 0.896,88 18.144,89 7.349,90 40.236,91 8.425,92 0.212,93 0.717,94 16.923,95 6.21,96 31.462,97 6.539,98 0.297,99 0.594,100 13.689,101 4.972,102 46.879,103 4.123,104 31,105 37,106 0.319,107 0.679,108 0.787,109 0.833,110 0.833,111 0.833,112 3.189,113 1.127,114 -2.87,115 -2.88,116 -2.79,119 43.2,120 1,125 1,142 5,143 3,144 1,145 2,152 2,158 1,163 1,164 1,165 1,172 7,174 1,175 1,177 1,178 1,183 10,188 11,193 2,196 8,198 2,200 8,205 1,208 7,210 1,213 5,218 1,221 6,223 1,224 1,225 3,227 1,228 1,230 1,233 3,235 1,238 4,243 2,246 1,248 2,249 2,250 4,255 2,258 1,260 2,264 3,272 1,276 690,277 15.118,278 15.118,279 15.118,280 15.118,281 15.118,282 12.921,283 6.559,284 8.481,285 15.747,286 12.21,287 12.21,288 12.21,289 12.21,290 12.21,291 8.703,292 5.174,293 3.876,294 13.092,295 3.407,296 1.375,297 0.767,298 0.507,299 0.507,300 0.507,301 3.862,304 1,305 1,306 1,307 452,308 3.606,311 48.28,312 130.78,315 92.528,319 1.493,320 33.26,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 50,332 215,333 4.843,334 5.243,335 7.286,336 4.24,337 3.371,338 4.699,339 2.95,340 12.336,341 3.099,342 4.624,343 3.519,344 6.727,345 4.141,346 3.182,347 4.567,348 0.98,349 10.99,350 2.86,351 4.071,352 3.118,353 6.002,354 3.664,355 2.699,356 3.622,358 8.545,359 2.581,360 3.747,361 2.804,362 5.593,363 3.298,364 2.314,365 3.18,367 7.09,368 2.259,369 3.329,370 2.463,371 4.912,372 2.798,373 1.839,374 2.677,376 5.319,377 1.745,378 2.999,379 1.771,380 4.581,381 2.449,382 1.495,383 2.22,385 4.278,386 1.418,387 2.855,388 1.593,389 4.033,390 2.312,391 1.365,392 2.002,394 3.447,395 1.277,396 2.543,397 1.324,398 3.671,399 2,400 1,401 1.5,403 2.459,404 1,405 2.5,406 1,407 3.414,408 1.958,409 1,410 1.466,412 2.275,413 0.932,414 1.974,415 0.944,416 3.299,417 1.41,418 0.508,419 0.728,421 1.357,422 0.447,423 1.539,424 0.477,425 3.113,426 1.331,427 0.372,428 0.417,430 0.506,431 0.353,432 1.104,433 0.117,434 2.644,435 0.633,436 -0.319,437 -0.437,439 -0.79,440 -0.3,441 1,442 0.056,443 2.416,444 0.202,445 -0.748,446 -1.05,448 -1.89,449 -0.693,450 0.733,451 -0.463,452 2.226,453 0.05,454 -1,455 -1.301,457 -2,458 -0.914,459 0.5,460 -0.515,461 2,463 -1,464 -1.5,466 -2.874,467 -1,468 11.467,469 0.499,470 0.752,471 0.033,472 32.5,473 1.413,474 18.5,475 0.804,476 14,477 0.609,478 16.711,479 0.727,480 23.933,481 0.647,482 23.228,483 1.01,484 5.987,485 0.26,486 4.933,487 0.214,488 0.166,489 0.073,490 0.305,496 0.515,497 0.955,498 0.793,499 0.957,500 0.674,501 0.789,502 0.577,503 0.854,504 0.902,505 0.892,506 0.541,507 0.805,508 1.064,509 1.11,510 1.259,511 1.247,512 1.039,513 0.996,514 1.379,515 1.082,516 1.094,517 1.007,518 1.362,519 1.118,520 0.771,521 0.976,522 0.75,523 0.824,524 0.718,525 1.031,526 0.59,527 0.952,528 0.855,529 0.92,530 0.574,531 1.021,532 0.86,533 1.063,534 1.042,535 1.088,536 0.793,537 0.992,538 1.47,539 1.042,540 0.86,541 0.882,542 1.554,543 0.962,544 6,545 0.132,546 3.778,547 1.757,548 1.201,549 0.851,550 0.666,551 0.358,552 0.253,553 0.222,554 5190,555 18812,556 2.006,557 37.8,559 7,561 2,562 2,564 3,567 1.657,568 1.828,569 3.185,570 0.364,571 1,572 1,574 1,577 66.692,578 1.802,579 3.835,580 4.443,581 4.703,582 4.703,583 4.703,584 2.719,585 4.002,586 4.493,587 3.347,588 846.865,589 7.738,590 9432.2,591 1,592 1,594 1,595 192.75,596 1.72,597 4.418,598 0.24,599 0.016,600 0.102,601 0.046,602 0.036,603 0.032,604 0.029,605 0.019,606 0.013,607 0.015,608 0.549,609 0.33,610 1,611 1.178,612 106.784,613 0.042,614 0.098,615 0.148,616 0.056,617 -0.145,618 0.091,619 0.173,620 0.149,621 0.058,622 0.119,623 0.203,624 0.118,625 -0.112,626 -0.127,627 -0.146,628 -0.146,629 -0.058,630 -0.028,631 -0.29,632 -0.149,633 -0.271,634 -0.123,635 -0.236,636 -0.215,637 -0.056,638 -0.062,639 -0.001,640 -0.006,641 -0.055,642 -0.047,643 0.107,644 0.013,645 0.063,646 0.003,647 0.055,648 0.003,649 -0.011,650 -0.083,651 0.047,652 -0.044,653 0.032,654 0.05,655 -0.05,656 -0.027,657 0.119,658 0.076,659 -0.074,660 -0.076,661 4.138,662 4.877,663 0.652,664 18.522,665 1.017,666 1.107,667 1.643,668 2.699,669 0.736,670 3.258,671 3.638,672 3.912,673 4.127,674 4.357,675 4.5,676 4.635,677 4.7,678 4.691,679 4.762,680 5.568,681 0.695,682 346.46,683 3.258,684 4.828,685 5.694,686 6.594,687 7.482,688 8.385,689 9.279,690 10.184,691 11.08,692 11.986,693 5.4,700 1,703 1,708 2,709 7,710 1,713 1,714 4,716 16,722 1,735 37,737 19,738 1,739 25,741 39,742 16,743 13,744 2,745 4,746 1,748 3,749 4,754 1,762 14,763 2,767 3,770 1,772 3,776 1,779 1,780 1,783 14,784 5,785 2,786 7,787 2,792 2,797 0.667,798 3,809 1,815 1,816 2,819 1,843 2,845 2,847 1,851 23,852 1,854 1,858 1,869 1,874 8.1,877 3,881 12.583,882 6.95,883 4.986,884 2.161,886 3.453,887 1.489,888 1.02,889 4.111,890 10.517,891 3.611,892 4.314,893 4.919,894 5.525,895 6.108,896 6.545,897 7.021,898 7.433,899 7.723,900 8.117,901 1,902 38,903 8.662,905 3.961,906 8.105,907 15.89,909 13.451,911 2.605,912 59.917,916 141.253,917 129.828,918 49.683,920 69.458,922 37.324,923 92.505,924 210.711,925 49.683,926 8.825,927 33.797,928 53.427,929 114.49,930 28.59,931 2.104,932 148.989,934 141.253,935 142.187,936 69.458,937 37.324,939 105.94,940 104.771,943 60.717,944 64.685,945 22.831,946 31.278,947 141.253,948 119.141,949 129.828,951 6.046,952 141.253,953 49.481,954 74.301,956 119.141,957 141.253,958 119.141,959 129.828,961 0.599,962 0.356,963 0.17,964 0.092,965 19,966 9,967 0.103,968 4,969 1,970 1.133,971 3.387,972 186.926,973 0.133,974 15,975 96.042,977 1,980 1,981 15.942,982 5.931,983 2.956,984 1.742,985 119.141,986 11.814,987 4.189,990 1.292,991 2.449,993 32.897,994 390.222,995 36,998 -3.222,1000 35.107,1004 -0.471,1007 37.64,1008 40.956,1009 0.346,1010 0.736,1011 0.853,1012 0.903,1013 0.903,1014 0.903,1015 4.86,1016 1,1017 5.746,1018 3.447,1019 4.317,1020 5.001,1021 3.012,1022 6.642,1023 4.189,1024 6.144,1025 1,1026 7.377,1027 2.459,1028 4.205,1029 5.19,1031 7.936,1032 3.958,1033 7.526,1034 0.508,1035 9.12,1036 2.275,1037 6.057,1038 7.422,1039 5.039,1040 10.953,1041 5.772,1042 8.952,1043 0.372,1044 10.928,1045 1.357,1046 6.735,1047 8.406,1049 13.021,1050 6.307,1051 10.41,1052 -0.319,1053 12.778,1054 0.506,1055 8.137,1056 10.182,1057 7.186,1058 15.648,1059 7.669,1060 11.893,1061 -0.748,1062 14.656,1063 -0.79,1064 9.122,1065 11.486,1067 17.982,1068 8.516,1069 13.393,1070 -1,1071 16.554,1072 -1.89,1073 10.378,1074 13.107,1075 9.348,1076 20.504,1077 9.715,1078 3.371,1079 -1,1080 18.466,1081 -2,1082 11.485,1083 14.543,1085 22.934,1086 10.7,1087 3.182,1088 12.336,1089 20.389,1090 -2.874,1091 12.693,1092 16.108,1093 11.511,1094 25.429,1095 11.836,1096 2.699,1097 10.99,1098 22.322,1099 4.699,1100 13.851,1101 17.6,1103 27.896,1104 12.883,1105 2.314,1106 8.545,1107 24.261,1108 4.567,1109 15.046,1110 19.144,1111 13.675,1112 30.387,1113 13.998,1114 1.839,1115 7.09,1116 26.206,1117 3.622,1118 16.224,1119 20.66,1121 32.87,1122 15.076,1123 1.495,1124 5.319,1125 28.156,1126 3.18,1127 17.417,1128 22.198,1129 15.838,1130 35.362,1131 16.184,1132 1.365,1133 4.278,1134 30.111,1135 2.677,1136 18.606,1137 23.725,1139 37.853,1140 17.279,1141 5196,1142 9999,1143 16.008,1144 27.239,1145 38.364,1146 40.855,1147 40.142,1148 38.346,1149 38.291,1150 54.159,1151 7.86,1152 117.202,1153 35.943,1154 5.562,1155 7.243,1156 6.804,1157 5.351,1158 5.371,1159 7.699,1160 5.9,1161 19.584,1162 5.099,1163 13.559,1164 1.535,1165 1.634,1166 1.606,1167 1.534,1168 1.532,1169 2.166,1170 0.314,1171 4.688,1172 1.438,1173 4.139,1174 4.135,1175 4.741,1176 4.15,1177 7.714,1178 4.091,1179 4.015,1180 3.989,1181 4.336,1182 4.045,1183 7.437,1184 3.942,1185 3.667,1186 3.676,1187 3.75,1188 3.627,1189 6.999,1190 3.567,1191 3.456,1192 3.5,1193 3.424,1194 3.272,1195 4.978,1196 3.283,1197 3.148,1198 3.198,1199 3.15,1200 2.979,1201 4.867,1202 2.945,1203 3.052,1204 3.124,1205 2.961,1206 2.822,1207 4.631,1208 2.814,1209 2.854,1210 2.925,1211 2.846,1212 2.739,1213 4.249,1214 2.729,1215 2.854,1216 2.885,1217 2.687,1218 2.735,1219 3.954,1220 2.715,1221 0.194,1222 0.21,1223 0.291,1224 0.17,1225 0.135,1226 4.843,1227 0.188,1228 5.243,1229 0.118,1230 7.286,1231 0.493,1232 4.24,1233 0.124,1234 3.371,1235 4.699,1236 2.95,1237 12.336,1238 3.099,1239 2.024,1240 2.029,1241 2.052,1242 2.072,1243 1.302,1244 2.106,1245 1.835,1246 1.841,1247 1.842,1248 1.91,1249 1.128,1250 1.944,1251 1.573,1252 1.559,1253 1.761,1254 1.706,1255 0.893,1256 1.739,1257 1.533,1258 1.528,1259 1.538,1260 1.694,1261 0.685,1262 1.68,1263 1.094,1264 1.055,1265 1.191,1266 1.296,1267 0.424,1268 1.347,1269 0.928,1270 0.867,1271 1.181,1272 1.217,1273 0.218,1274 1.234,1275 0.886,1276 0.821,1277 1.121,1278 1.062,1279 0.171,1280 1.107,1281 0.852,1282 0.814,1283 1.008,1284 0.974,1286 1.023,1287 3.932,1289 5.293,1290 2.398,1291 6.851,1292 4.727,1293 8.489,1294 6.862,1295 10.168,1297 1.616,1301 5.334,1303 0.065,1314 25.722,1315 66.692,1316 141.879,1317 164.385,1318 173.995,1319 173.995,1320 173.995,1321 49.327,1322 7.064,1323 90.12,1324 126.74,1325 17,1326 12.506,1327 4.322,1328 3.585,1329 36.87,1330 76,1331 75,1332 0.244,1333 166.488,1334 279.85,1335 397.99,1336 9771,1338 16.613,1339 0.722,1340 0.606,1341 17.216,1342 13.947,1343 10.92,1344 0.437,1345 0.376,1346 7.076,1347 9.323,1348 6.665,1349 5.508,1350 12.149,1351 9.396,1352 10.448,1353 0.282,1354 0.226,1355 12.465,1356 8.364,1357 8.785,1358 0.179,1359 0.131,1360 10.813,1361 6.428,1362 6.635,1363 0.109,1364 0.067,1365 8.082,1366 4.111,1367 5.336,1368 0.069,1369 0.035,1370 6.508,1371 2.703,1372 0.376,1373 80.179,1374 0.25,1375 22.297,1376 0.687,1377 124,1378 399.885,1379 194.552,1380 430.167,1381 574.76,1382 394,1383 148,1384 373.404,1385 220.82,1386 428.943,1387 625.09,1388 402,1389 5.1}
{0 CHEMBL2000114,1 1.756,2 7.125,3 0.817,4 0.667,5 68.365,6 7.945,7 0.588,8 3.513,9 3.644,10 3.188,11 3.025,12 4.625,13 2.977,14 4.007,15 4.197,16 3.446,17 3.377,18 5.048,19 3.288,20 4.127,21 4.353,22 3.504,23 3.399,24 5.095,25 3.304,26 4.112,27 4.331,28 3.482,29 3.348,30 5.171,31 3.255,32 4.103,33 4.354,34 3.14,35 3.29,36 5.001,37 3.133,38 4.004,39 4.266,40 2.91,41 3.14,42 4.95,43 2.969,44 3.821,45 4.071,46 2.693,47 2.945,48 4.736,49 2.749,50 3.691,51 3.984,52 2.49,53 2.557,54 4.758,55 2.348,56 0.06,57 0.487,58 6.762,59 2.641,60 7.917,61 3.368,62 0.22,63 0.727,64 14.972,65 4.768,66 18.5,67 5.856,68 0.18,69 0.77,70 16.293,71 4.806,72 17.556,73 6.596,74 0.317,75 0.76,76 16.413,77 4.22,78 24.389,79 6.151,80 0.207,81 0.687,82 15.532,83 4.665,84 18.723,85 6.452,86 0.265,87 0.591,88 16.061,89 4.268,90 23.889,91 5.756,92 0.119,93 0.462,94 12.815,95 4.131,96 12.834,97 5.359,98 0.263,99 0.323,100 13.586,101 3.418,102 25.944,103 4.435,104 12,105 22,106 0.34,107 0.726,108 0.88,109 0.88,110 0.88,111 0.88,112 2.853,113 1.111,114 -2.95,115 -2.96,116 -2.85,119 33.3,121 1,124 1,125 2,143 1,144 1,147 1,148 1,151 1,161 1,174 1,175 2,178 2,180 4,183 1,193 1,200 3,203 2,204 2,205 1,208 1,225 1,228 1,230 2,233 1,253 1,254 1,255 1,276 272,277 11.207,278 11.207,279 11.207,280 11.207,281 11.207,282 10.057,283 11.313,284 6.934,285 11.773,286 8.308,287 8.308,288 8.308,289 8.308,290 8.308,291 6.506,292 16.481,293 3.138,294 9.057,295 3.151,296 1.151,297 0.358,298 0.358,299 0.358,300 0.358,301 3.508,305 1,306 1,307 235,308 2.646,311 30.439,312 38.711,315 58.363,319 1.016,320 12.923,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 35,332 114,333 4.625,334 4.364,335 6.799,336 4.129,337 3.178,338 4.587,339 2.95,340 11.205,341 3.019,342 3.531,343 3.063,344 5.244,345 3.114,346 2.205,347 2.895,348 0.4,349 6.37,350 2.004,351 3.392,352 2.413,353 5.108,354 2.879,355 1.988,356 2.752,358 5.876,359 1.758,360 2.708,361 2.18,362 3.942,363 2.563,364 1.607,365 1.776,367 3.164,368 1.53,369 2.637,370 1.817,371 3.633,372 2.138,373 1.236,374 1.654,376 2.882,377 1.108,378 2.296,379 1.354,380 3.35,381 1.845,382 0.927,383 1.226,385 2.082,386 0.846,387 1.804,388 1.203,389 2.873,390 1.562,391 0.69,392 0.758,394 1.211,395 0.594,396 1.471,397 0.872,398 2.563,399 1.114,400 0.298,401 0.339,403 0.448,404 0.239,405 1.027,406 0.361,407 2.33,408 0.697,409 -0.202,410 -0.23,412 -0.361,413 -0.18,414 0.57,415 -0.038,416 2,417 0.186,418 -0.724,419 -0.875,421 -1.471,422 -0.656,423 0.507,424 -0.537,425 1.903,426 0.033,427 -0.846,428 -1.094,430 -1.955,431 -0.716,432 0.014,433 -1.051,434 1.611,435 -0.405,436 -1.307,437 -1.537,439 -2.853,440 -1.145,441 -0.256,442 -1.243,443 0.861,444 -0.532,445 -1.454,446 -1.794,448 -3.657,449 -1.329,450 -0.413,451 -1.616,452 0.772,453 -0.86,454 -1.795,455 -2.09,457 -4.591,458 -1.626,459 -0.5,460 -1.676,461 0.481,462 -0.971,463 -1.841,464 -2.525,466 -4.948,467 -1.715,468 7.767,469 0.485,470 0.222,471 0.014,472 19.75,473 1.234,474 9,475 0.563,476 10.75,477 0.672,478 11.498,479 0.719,480 18.033,481 0.601,482 10.906,483 0.682,484 3.642,485 0.228,486 4.222,487 0.264,488 0.107,490 0.258,496 1.084,497 1.413,498 0.787,499 0.945,500 0.994,501 0.938,502 0.971,503 1.001,504 1.149,505 1.064,506 0.915,507 0.944,508 0.926,509 1.253,510 0.809,511 0.933,512 0.836,513 0.868,514 0.831,515 1.083,516 0.921,517 1.027,518 0.855,519 1.006,520 1.021,521 1.02,522 1.012,523 0.958,524 0.822,525 1.112,526 1.06,527 0.829,528 1.286,529 1.045,530 0.848,531 1.1,532 0.893,533 1.126,534 1.14,535 1.296,536 0.944,537 1.306,538 0.914,539 0.783,540 1.039,541 1.118,542 1.234,543 0.994,544 2,546 1.556,547 1.16,548 0.618,549 0.316,550 0.197,551 0.115,552 0.076,554 1790,555 5614,556 2.03,557 46.7,559 7,560 1,561 1,562 3,565 2,567 1.554,568 1.92,569 2.81,570 1.372,572 1,574 1,577 52.684,578 1.756,579 3.756,580 4.548,581 4.548,582 4.548,583 4.548,584 2.227,585 3.5,586 3.963,587 2.914,588 349.72,589 6.692,590 2998.2,591 1,592 1,595 147.207,596 1.299,597 3.94,598 0.118,600 0.071,601 0.053,602 0.031,603 0.023,604 0.018,605 0.014,606 0.015,608 0.342,609 0.5,610 1,611 1.75,612 64.005,613 -0.178,614 -0.188,615 0.045,616 0.057,617 -0.128,618 0.033,619 -0.029,620 0.143,621 -0.098,622 0.023,623 -0.053,624 0.035,625 -0.054,626 -0.238,627 0.135,628 0.044,629 -0.036,630 0.108,631 0.146,632 -0.02,633 0.029,634 -0.077,635 -0.007,636 -0.071,637 -0.207,638 -0.04,639 -0.142,640 -0.059,641 -0.135,642 -0.162,643 -0.16,644 0.16,645 -0.276,646 -0.079,647 -0.064,648 -0.155,649 -0.05,650 -0.227,651 -0.174,652 -0.298,653 -0.013,654 -0.3,655 0.347,656 -0.026,657 0.078,658 -0.126,659 0.294,660 -0.018,661 1.316,662 2.735,663 0.563,664 9.625,665 1.008,666 1.14,667 1.723,668 2.968,669 0.664,670 2.89,671 3.135,672 3.434,673 3.714,674 3.829,675 3.807,676 3.784,677 3.761,678 3.434,679 3.178,680 4.245,681 0.621,682 238.35,683 2.89,684 4.369,685 5.209,686 6.075,687 6.946,688 7.828,689 8.71,690 9.599,691 10.485,692 11.377,693 13.3,698 1,701 1,703 2,708 2,709 2,710 2,711 1,714 2,716 10,728 1,735 30,737 10,739 17,741 31,742 10,743 6,748 2,749 3,754 1,760 1,762 6,763 4,780 1,783 14,784 4,785 3,786 6,787 1,792 4,797 0.5,798 1,799 1,810 1,811 1,815 1,816 1,819 1,841 1,843 1,844 1,845 1,847 1,851 16,857 1,858 3,860 1,862 1,874 3.3,875 1,881 8.333,882 5.433,883 3.833,884 1.646,886 2.108,887 1.354,888 0.936,889 3.905,890 8.064,891 3.135,892 3.72,893 4.393,894 5.044,895 5.483,896 5.748,897 6.049,898 6.342,899 6.009,900 5.859,901 0.8,902 22,903 5.866,905 2.356,906 7.75,907 11.236,909 8.763,911 2.25,912 36,913 0.003,916 129.482,917 69.883,918 68.367,920 42.683,922 32.22,923 37.664,924 172.165,925 68.367,926 7.19,927 4.64,928 51.731,929 65.068,930 29.528,931 14.099,932 138.159,934 129.482,935 106.031,936 42.683,937 32.22,939 105.94,940 23.542,941 42.683,943 31.76,944 22.689,945 51.582,946 32.22,947 129.482,948 111.051,949 69.883,952 129.482,953 45.027,954 24.856,955 34.796,956 76.254,957 129.482,958 111.051,959 69.883,961 0.545,962 0.333,963 0.195,964 0.104,965 10,966 4,967 0.161,968 5,969 1,970 1.222,971 2.846,972 103.963,973 0.222,974 9,975 64,977 1,981 11.547,982 5.41,983 2.438,984 1.86,985 94.265,986 3.464,987 8.392,988 3.109,991 1.95,993 77.48,994 310.416,995 22,1007 30.229,1008 34.199,1009 0.358,1010 0.765,1011 0.927,1012 0.927,1013 0.927,1014 0.927,1015 4.311,1016 0.298,1017 5.153,1018 1.211,1019 3.807,1020 4.401,1021 2.93,1022 5.964,1023 3.651,1024 5.492,1025 -0.202,1026 6.701,1027 0.448,1028 3.219,1029 4.227,1031 6.94,1032 3.041,1033 6.795,1034 -0.724,1035 8.365,1036 -0.361,1037 5.361,1038 6.704,1039 5.027,1040 10.092,1041 5.092,1042 8.154,1043 -0.846,1044 10.103,1045 -1.471,1046 5.74,1047 7.51,1049 11.994,1050 5.453,1051 9.559,1052 -1.307,1053 11.891,1054 -1.955,1055 7.27,1056 9.396,1057 7.185,1058 14.647,1059 6.912,1060 10.996,1061 -1.454,1062 13.712,1063 -2.853,1064 8.099,1065 10.625,1067 16.884,1068 7.719,1069 12.457,1070 -1.795,1071 15.558,1072 -3.657,1073 9.392,1074 12.289,1075 9.348,1076 19.382,1077 8.952,1078 3.178,1079 -1.841,1080 17.421,1081 -4.591,1082 10.417,1083 13.694,1085 21.736,1086 9.943,1087 2.205,1088 11.205,1089 19.297,1090 -4.948,1091 11.622,1092 15.274,1093 11.511,1094 24.181,1095 11.094,1096 1.988,1097 6.37,1098 21.183,1099 4.587,1100 12.727,1101 16.75,1103 26.576,1104 12.156,1105 1.607,1106 5.876,1107 23.077,1108 2.895,1109 13.9,1110 18.295,1111 13.675,1112 29.003,1113 13.277,1114 1.236,1115 3.164,1116 24.975,1117 2.752,1118 15.036,1119 19.8,1121 31.412,1122 14.366,1123 0.927,1124 2.882,1125 26.878,1126 1.776,1127 16.198,1128 21.332,1129 15.838,1130 33.832,1131 15.477,1132 0.69,1133 2.082,1134 28.785,1135 1.654,1136 17.346,1137 22.848,1139 36.245,1140 16.576,1141 1892,1142 3415,1143 11.326,1144 19.932,1145 24.222,1146 27.415,1147 25.659,1148 24.193,1149 24.256,1150 31.975,1151 6.7,1152 66.478,1153 22.197,1154 5.468,1155 6.364,1156 6.708,1157 5.206,1158 5.178,1159 7.587,1160 5.9,1161 18.003,1162 4.919,1163 6.812,1164 1.425,1165 1.613,1166 1.509,1167 1.423,1168 1.427,1169 1.881,1170 0.394,1171 3.91,1172 1.306,1173 4.089,1174 4.133,1175 4.149,1176 3.971,1177 6.456,1178 3.977,1179 3.639,1180 3.709,1181 3.625,1182 3.453,1183 5.113,1184 3.446,1185 3.353,1186 3.42,1187 3.46,1188 3.237,1189 4.486,1190 3.176,1191 3.177,1192 3.261,1193 3.168,1194 2.976,1195 4.203,1196 2.949,1197 3.058,1198 3.148,1199 2.914,1200 2.771,1201 3.896,1202 2.787,1203 2.722,1204 2.798,1205 2.565,1206 2.469,1207 3.712,1208 2.48,1209 2.351,1210 2.459,1211 2.21,1212 2.182,1213 3.329,1214 2.168,1215 2.297,1216 2.381,1217 2.118,1218 1.962,1219 3.142,1220 1.953,1221 0.272,1222 0.257,1223 0.4,1224 0.243,1225 0.187,1226 4.625,1227 0.27,1228 4.364,1229 0.174,1230 6.799,1231 0.659,1232 4.129,1233 0.178,1234 3.178,1235 4.587,1236 2.95,1237 11.205,1238 3.019,1239 1.825,1240 1.788,1241 1.921,1242 2.008,1243 1.181,1244 1.98,1245 1.585,1246 1.521,1247 1.784,1248 1.813,1249 0.961,1250 1.817,1251 1.491,1252 1.443,1253 1.601,1254 1.664,1255 0.7,1256 1.679,1257 1.151,1258 1.063,1259 1.48,1260 1.404,1261 0.523,1262 1.459,1263 0.981,1264 0.889,1265 1.325,1266 1.324,1267 0.469,1268 1.329,1269 0.836,1270 0.762,1271 1.037,1272 1.052,1273 0.037,1274 1.059,1275 0.487,1276 0.395,1277 0.865,1278 0.865,1280 0.869,1281 0.148,1282 0.015,1283 0.645,1284 0.557,1286 0.593,1287 3.555,1289 4.812,1290 2.398,1291 6.29,1292 4.727,1293 7.883,1294 6.843,1295 9.541,1297 2.021,1302 8.735,1303 1.607,1305 3.205,1307 1.658,1314 18.622,1315 52.684,1316 112.677,1317 136.452,1318 136.452,1319 136.452,1320 136.452,1321 19.41,1322 5.956,1323 73.83,1324 99.13,1325 11,1326 11.906,1327 3.459,1328 2.585,1329 25.879,1330 39,1331 50,1332 0.34,1333 122.502,1334 195.78,1335 290.664,1336 2326,1338 11.38,1339 0.711,1340 0.615,1341 11.734,1342 9.842,1343 7.864,1344 0.463,1345 0.37,1346 5.089,1347 7.008,1348 4.848,1349 4.046,1350 8.421,1351 6.298,1352 6.27,1353 0.285,1354 0.189,1355 6.736,1356 4.155,1357 5.394,1358 0.18,1359 0.101,1360 5.894,1361 3.043,1362 4.609,1363 0.115,1364 0.052,1365 5.098,1366 2.09,1367 3.488,1368 0.078,1369 0.03,1370 3.951,1371 1.331,1372 0.508,1373 55.283,1374 0.297,1375 16.066,1376 1.001,1377 78,1378 240.966,1379 105.43,1380 251.967,1381 341.64,1382 238,1383 91,1384 231.821,1385 114.801,1386 246.305,1387 359.56,1388 230,1389 6.2}
{0 CHEMBL2000271,1 1.43,2 11.893,3 3.278,4 10.747,5 112.035,6 7.164,7 0.71,8 4.041,9 4.168,10 3.581,11 3.615,12 5.13,13 3.581,14 4.548,15 4.717,16 3.899,17 4,18 5.542,19 3.943,20 4.789,21 4.994,22 3.926,23 4.119,24 5.727,25 4.023,26 4.893,27 5.143,28 3.809,29 4.083,30 5.784,31 3.958,32 4.8,33 5.046,34 3.782,35 4.024,36 5.675,37 3.907,38 4.763,39 4.99,40 3.783,41 3.985,42 5.721,43 3.879,44 4.763,45 5.027,46 3.676,47 3.901,48 5.703,49 3.782,50 4.596,51 4.856,52 3.547,53 3.789,54 5.498,55 3.664,56 0.076,57 0.758,58 11.032,59 4.711,60 11.878,61 6.328,62 0.131,63 1.189,64 19.548,65 7.88,66 20.606,67 10.738,68 0.232,69 1.438,70 26.047,71 10.254,72 28.095,73 14.199,74 0.339,75 1.527,76 30.619,77 10.986,78 43.491,79 15.6,80 0.212,81 1.386,82 27.578,83 10.493,84 32.365,85 14.779,86 0.202,87 1.366,88 26.177,89 9.693,90 34.57,91 13.568,92 0.342,93 1.368,94 27.26,95 9.224,96 43.394,97 13.271,98 0.282,99 1.137,100 22.757,101 8.241,102 31.76,103 11.946,104 6,105 42,106 0.237,107 0.598,108 0.784,109 0.868,110 0.877,111 0.877,112 3.374,113 0.919,114 -3.8,115 -3.76,116 -3.57,119 44.2,120 1,121 1,122 1,125 2,142 9,143 4,144 1,145 2,146 1,152 1,163 1,164 1,165 1,168 1,172 14,175 5,180 3,183 17,185 1,187 1,188 7,193 3,196 14,198 1,200 5,202 1,203 1,205 3,208 8,210 1,213 8,218 3,221 5,223 2,225 6,230 4,233 4,235 3,237 1,238 3,240 1,241 2,243 2,246 6,248 2,249 1,250 3,253 1,255 1,258 9,260 1,264 2,269 2,272 9,274 2,276 1262,277 19.386,278 19.386,279 19.386,280 19.386,281 19.386,282 16.792,283 13.036,284 11.59,285 19.652,286 15.27,287 15.27,288 15.27,289 15.27,290 15.27,291 11.462,292 13.685,293 5.468,294 15.684,295 4.271,296 2.088,297 0.962,298 0.452,299 0.399,300 0.399,301 4.075,305 1,306 1,307 731,308 3.24,311 69.454,312 271.182,315 118.745,319 1.837,320 16.583,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 59,332 333,333 4.558,334 3.148,335 6.522,336 4.089,337 3.103,338 4.51,339 0.86,340 10.231,341 3.059,342 4.185,343 2.981,344 6.117,345 3.78,346 2.803,347 3.816,349 8.979,350 2.74,351 3.935,352 2.816,353 5.575,354 3.652,355 2.658,356 3.456,358 7.656,359 2.642,360 3.688,361 2.599,362 5.309,363 3.311,364 2.358,365 3.098,367 6.837,368 2.242,369 3.355,370 2.231,371 4.995,372 3.145,373 2.16,374 2.648,376 5.937,377 2.118,378 3.3,379 2.014,380 4.951,381 2.849,382 1.879,383 2.431,385 5.413,386 1.819,387 2.97,388 1.628,389 4.359,390 2.482,391 1.523,392 2.172,394 4.166,395 1.458,396 2.839,397 1.506,398 4.01,399 2.417,400 1.421,401 1.964,403 3.181,404 1.413,405 2.705,406 1.284,407 3.593,408 2.195,409 1.236,410 1.799,412 3.036,413 1.183,414 2.571,415 1.13,416 3.49,417 2.042,418 1.085,419 1.605,421 2.549,422 1.035,423 2.5,424 1.067,425 3.247,426 2,427 1,428 1.5,430 2.136,431 1,432 2.111,433 1,434 3.224,435 1.645,436 0.717,437 0.939,439 1.563,440 0.652,441 1.814,442 0.714,443 3.152,444 1.609,445 0.65,446 0.766,448 1.487,449 0.629,450 1.4,451 0.562,452 2.739,453 1.245,454 0.3,455 0.323,457 0.503,458 0.282,459 1.028,460 -0.036,461 2.623,462 0.656,463 -0.301,464 -0.356,466 -0.691,467 -0.286,468 13.433,469 0.48,470 0.533,471 0.019,472 37.75,473 1.348,474 20.5,475 0.732,476 17.25,477 0.616,478 21.818,479 0.779,480 29.167,481 0.561,482 26.432,483 0.944,484 7.519,485 0.269,486 6.206,487 0.222,488 0.067,490 0.298,496 0.898,497 1.041,498 0.838,499 0.968,500 1.041,501 0.905,502 1.157,503 1.081,504 0.936,505 1,506 0.993,507 0.956,508 1.075,509 1.112,510 1.039,511 1.116,512 0.901,513 1.088,514 1.244,515 0.934,516 1.059,517 0.973,518 1.181,519 0.995,520 1.073,521 0.986,522 0.927,523 0.99,524 0.869,525 0.957,526 1.295,527 1.222,528 1.06,529 1.157,530 1.14,531 1.105,532 1.245,533 0.892,534 1.029,535 0.923,536 1.278,537 0.947,538 0.826,539 0.914,540 0.918,541 0.926,542 0.862,543 0.93,544 5,545 0.137,546 2.667,547 1.417,548 1.142,549 0.663,550 0.435,551 0.377,552 0.172,553 0.143,554 10976,555 25483,556 2.137,557 46.2,558 2,559 13,561 2,562 3,563 3,565 1,567 1.707,568 2.049,569 3.556,570 0.847,571 1,572 1,577 74.342,578 1.43,579 3.613,580 4.738,581 5.248,582 5.301,583 5.301,584 2.968,585 4.522,586 4.781,587 3.732,588 1410.7,589 8.296,590 19287.7,592 1,594 1,595 296.423,596 1.198,597 4.76,598 0.161,599 0.007,600 0.063,601 0.035,602 0.033,603 0.019,604 0.013,605 0.013,606 0.006,607 0.006,608 0.355,609 0.33,610 1,611 0.615,612 142.641,613 0.028,614 0.106,615 0.047,616 0.051,617 -0.083,618 0.053,619 -0.098,620 -0.015,621 -0.008,622 0.01,623 -0.07,624 0.011,625 0.002,626 -0.112,627 -0.084,628 -0.112,629 -0.007,630 -0.109,631 -0.056,632 0.029,633 -0.057,635 -0.091,636 -0.023,637 -0.021,638 -0.048,639 0.061,640 0.009,641 0.059,642 0.038,643 -0.069,644 -0.251,645 -0.072,646 -0.174,647 -0.012,648 -0.134,649 0.005,650 0.096,651 -0.008,652 0.018,653 -0.037,654 0.005,655 0.178,656 0.045,657 0.078,658 0.05,659 0.124,660 0.054,661 1.073,662 2.529,663 0.75,664 27.367,665 0.992,666 1.122,667 2.566,668 6.585,669 0.675,670 3.466,671 3.761,672 4.025,673 4.263,674 4.466,675 4.477,676 4.615,677 4.736,678 4.754,679 4.796,680 7.161,681 0.636,682 372.51,683 3.466,684 4.99,685 5.832,686 6.693,687 7.55,688 8.417,689 9.28,690 10.15,691 11.018,692 11.89,693 7.7,694 1,701 1,703 2,708 2,709 11,710 2,711 1,714 5,716 22,733 1,735 52,737 22,738 2,739 31,741 55,742 23,743 18,744 4,745 8,748 4,749 5,754 2,760 1,762 18,763 5,764 1,780 1,783 24,784 4,785 3,786 5,792 4,797 0.75,798 1,807 1,809 1,815 1,816 3,819 1,836 1,843 3,847 1,851 28,852 1,858 3,861 1,863 1,874 1.9,879 1,881 13.667,882 9.4,883 6.25,884 3.039,886 4.008,887 1.529,888 1.008,889 5.586,890 11.581,891 3.761,892 4.373,893 4.981,894 5.577,895 6.108,896 6.359,897 6.826,898 7.265,899 7.509,900 7.845,901 0.875,902 41,903 10.308,905 4.304,906 7.554,907 20.045,909 16.456,911 2.054,912 57.5,915 1,916 247.193,917 143.713,918 83.009,920 11,923 143.713,924 258.193,925 83.009,926 8.825,927 42.13,928 85.286,929 56.991,930 65.275,931 2.757,932 223.651,934 247.193,935 226.722,936 11,939 235.422,940 22.771,943 87.857,944 105.416,945 33.449,947 247.193,948 94.009,949 143.713,952 247.193,953 31.507,954 112.206,955 16.663,956 77.346,957 247.193,958 94.009,959 143.713,961 0.572,962 0.336,963 0.18,964 0.097,965 20,966 8,967 0.127,968 7,969 1,970 1.095,971 4.121,972 236.218,973 0.095,974 21,975 130.606,981 18.516,982 8.448,983 4.367,984 2.086,985 77.346,986 22.218,987 8.645,988 3.024,991 5.205,993 49.56,994 484.915,995 42,1007 51.571,1008 58.355,1009 0.251,1010 0.634,1011 0.831,1012 0.921,1013 0.93,1014 0.93,1015 4.966,1016 1.421,1017 5.79,1018 4.166,1019 4.443,1020 5.059,1021 0.908,1022 6.558,1023 4.393,1024 6.162,1025 1.236,1026 7.318,1027 3.181,1028 3.892,1029 4.745,1031 7.357,1032 3.842,1033 7.454,1034 1.085,1035 8.944,1036 3.036,1037 5.994,1038 7.28,1039 0.739,1040 10.438,1041 5.908,1042 8.784,1043 1,1044 10.628,1045 2.549,1046 6.293,1047 7.855,1049 12.09,1050 6.206,1051 10.148,1052 0.717,1053 12.352,1054 2.136,1055 7.818,1056 9.811,1057 0.593,1058 14.661,1059 7.704,1060 11.537,1061 0.65,1062 14.103,1063 1.563,1064 8.523,1065 10.834,1067 16.676,1068 8.404,1069 12.946,1070 0.3,1071 15.874,1072 1.487,1073 9.8,1074 12.532,1075 0.469,1076 19.069,1077 9.661,1078 3.103,1079 -0.301,1080 17.66,1081 0.503,1082 10.707,1083 13.788,1085 21.245,1086 10.56,1087 2.803,1088 10.231,1089 19.459,1090 -0.691,1091 11.878,1092 15.368,1093 0.366,1094 23.576,1095 11.714,1096 2.658,1097 8.979,1098 21.268,1099 4.51,1100 12.886,1101 16.744,1103 25.824,1104 12.711,1105 2.358,1106 7.656,1107 23.084,1108 3.816,1109 14.014,1110 18.273,1111 0.283,1112 28.137,1113 13.824,1114 2.16,1115 6.837,1116 24.908,1117 3.456,1118 15.072,1119 19.71,1121 30.418,1122 14.87,1123 1.879,1124 5.937,1125 26.738,1126 3.098,1127 16.185,1128 21.219,1129 0.217,1130 32.727,1131 15.969,1132 1.523,1133 5.413,1134 28.573,1135 2.648,1136 17.27,1137 22.687,1139 35.025,1140 17.041,1141 10283,1142 15801,1143 21.266,1144 35.091,1145 45.923,1146 46.216,1147 46.696,1148 45.734,1149 45.785,1150 62.055,1151 1.72,1152 127.347,1153 44.542,1154 5.454,1155 5.148,1156 6.324,1157 5.152,1158 5.103,1159 7.51,1160 1.72,1161 16.757,1162 5.059,1163 9.929,1164 1.481,1165 1.491,1166 1.506,1167 1.475,1168 1.477,1169 2.002,1170 0.055,1171 4.108,1172 1.437,1173 4.124,1174 4.16,1175 4.089,1176 4.034,1177 5.094,1178 4.042,1179 3.939,1180 3.974,1181 3.861,1182 3.873,1183 5.01,1184 3.865,1185 3.842,1186 3.877,1187 3.794,1188 3.717,1189 4.926,1190 3.732,1191 3.634,1192 3.696,1193 3.504,1194 3.496,1195 4.746,1196 3.489,1197 3.407,1198 3.468,1199 3.308,1200 3.258,1201 4.427,1202 3.261,1203 3.118,1204 3.223,1205 2.952,1206 2.901,1207 4.309,1208 2.903,1209 3.051,1210 3.127,1211 2.885,1212 2.871,1213 3.905,1214 2.862,1215 2.981,1216 3.061,1217 2.837,1218 2.735,1219 3.843,1220 2.743,1221 0.147,1222 0.102,1223 0.21,1224 0.132,1225 0.1,1226 4.558,1227 0.145,1228 3.148,1229 0.028,1230 6.522,1231 0.33,1232 4.089,1233 0.099,1234 3.103,1235 4.51,1236 0.86,1237 10.231,1238 3.059,1239 1.988,1240 1.97,1241 2.076,1242 2.063,1243 1.338,1244 2.065,1245 1.931,1246 1.901,1247 2.058,1248 2.018,1249 1.213,1250 2.036,1251 1.739,1252 1.71,1253 1.876,1254 1.875,1255 1.023,1256 1.875,1257 1.621,1258 1.565,1259 1.81,1260 1.792,1261 0.91,1262 1.804,1263 1.491,1264 1.416,1265 1.701,1266 1.764,1267 0.734,1268 1.741,1269 1.075,1270 1.01,1271 1.413,1272 1.406,1273 0.514,1274 1.415,1275 1.049,1276 0.975,1277 1.303,1278 1.281,1279 0.464,1280 1.291,1281 0.938,1282 0.853,1283 1.228,1284 1.222,1285 0.248,1286 1.243,1287 4.143,1289 5.442,1290 2.398,1291 6.936,1292 4.727,1293 8.514,1294 6.804,1295 10.136,1297 2.024,1301 5.958,1303 2.051,1306 6.029,1308 0.26,1314 33.068,1315 74.342,1316 187.866,1317 246.384,1318 272.913,1319 275.668,1320 275.668,1321 38.976,1322 7.574,1323 76.82,1324 76.82,1325 23,1326 12.433,1327 4.524,1328 3.585,1329 42.602,1330 121,1331 114,1332 0.168,1333 203.72,1334 339.81,1335 488.837,1336 22000,1338 19.347,1339 0.691,1340 0.569,1341 19.347,1342 15.93,1343 13.725,1344 0.443,1345 0.306,1346 9.401,1347 13.345,1348 9.142,1349 7.627,1350 13.725,1351 9.496,1352 11.936,1353 0.284,1354 0.169,1355 11.936,1356 7.092,1357 10.254,1358 0.186,1359 0.09,1360 10.254,1361 4.977,1362 8.354,1363 0.119,1364 0.048,1365 8.354,1366 3.345,1367 6.784,1368 0.079,1369 0.026,1370 6.784,1371 2.264,1372 0.27,1373 85.018,1374 0.217,1375 27.145,1376 0.446,1377 146,1378 366.671,1379 155.066,1380 364.192,1381 510.27,1382 344,1383 170,1384 384.441,1385 179.955,1386 394.44,1387 570.33,1388 371,1389 6.6}
{0 CHEMBL2000335,1 1.628,2 12.536,3 3.949,4 15.592,5 114.657,6 8.288,7 0.71,8 3.959,9 4.078,10 3.659,11 3.585,12 5.137,13 3.546,14 4.425,15 4.577,16 4.035,17 3.967,18 5.596,19 3.906,20 4.612,21 4.775,22 4.052,23 4.076,24 5.731,25 4,26 4.736,27 4.94,28 4.036,29 4.068,30 5.845,31 3.955,32 4.739,33 4.987,34 3.81,35 3.921,36 5.804,37 3.794,38 4.462,39 4.689,40 3.651,41 3.7,42 5.591,43 3.62,44 4.344,45 4.562,46 3.515,47 3.609,48 5.443,49 3.526,50 4.289,51 4.514,52 3.436,53 3.57,54 5.354,55 3.456,56 0.044,57 0.724,58 8.553,59 3.962,60 9.402,61 4.751,62 0.244,63 1.137,64 16.702,65 6.982,66 23.004,67 8.745,68 0.138,69 1.321,70 18.598,71 8.024,72 23.201,73 9.86,74 0.165,75 1.462,76 25.565,77 9.943,78 31.128,79 12.688,80 0.314,81 1.39,82 31.339,83 10.512,84 51.676,85 12.764,86 0.245,87 1.085,88 21.039,89 6.991,90 38.29,91 8.485,92 0.209,93 0.953,94 16.613,95 5.867,96 33.4,97 7.546,98 0.223,99 0.882,100 17.062,101 6.595,102 30.894,103 8.334,104 17,105 44,106 0.273,107 0.634,108 0.74,109 0.81,110 0.835,111 0.863,112 3.374,113 0.931,114 -4.68,115 -4.6,116 -4.32,119 44.7,120 2,142 7,143 5,144 2,147 1,148 1,151 1,159 1,161 1,163 1,164 1,165 1,172 12,174 1,175 3,177 1,178 3,179 1,180 5,183 17,185 1,188 2,193 5,196 13,198 1,200 7,202 1,203 1,205 9,208 5,210 2,213 8,218 8,221 2,223 2,225 7,230 6,233 4,235 2,238 2,243 3,246 8,250 1,253 2,254 1,255 1,257 1,258 10,264 1,269 1,272 10,276 1174,277 18.809,278 18.809,279 18.809,280 18.809,281 18.809,282 15.963,283 18.168,284 10.924,285 19.238,286 15.282,287 15.282,288 15.282,289 15.282,290 15.282,291 11.07,292 24.827,293 5.183,294 15.967,295 3.927,296 1.781,297 1.147,298 0.729,299 0.585,300 0.415,301 4.07,305 1,306 1,307 768,308 3.082,311 66.604,312 275.908,315 125.105,319 2.031,320 20.78,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 59.5,332 351,333 4.666,334 3.563,335 6.884,336 4.192,337 3.229,338 4.626,339 1.656,340 11.489,341 3.118,342 4.226,343 3.244,344 5.958,345 3.838,346 2.85,347 3.875,348 0.247,349 8.386,350 2.819,351 4.063,352 2.985,353 5.857,354 3.649,355 2.676,356 3.672,358 8.064,359 2.594,360 3.779,361 2.657,362 5.515,363 3.426,364 2.454,365 3.104,367 7.37,368 2.373,369 3.554,370 2.351,371 5.245,372 3.18,373 2.21,374 2.891,376 6.571,377 2.138,378 3.42,379 2.283,380 5.034,381 2.87,382 1.993,383 2.806,385 5.677,386 1.803,387 3.254,388 2.058,389 4.64,390 2.8,391 1.806,392 2.478,394 4.929,395 1.713,396 2.978,397 1.634,398 4.393,399 2.442,400 1.494,401 2.187,403 4.02,404 1.414,405 2.82,406 1.539,407 4.04,408 2.414,409 1.414,410 1.948,412 3.521,413 1.409,414 2.553,415 1.088,416 3.81,417 2,418 1.065,419 1.578,421 2.687,422 1,423 2.5,424 1,425 3.414,426 1.994,427 1,428 1.5,430 2.275,431 0.98,432 2.187,433 0.812,434 3.314,435 1.573,436 0.745,437 1.053,439 1.811,440 0.603,441 1.535,442 0.734,443 3.01,444 1.267,445 0.291,446 0.344,448 0.685,449 0.283,450 1.307,451 0.491,452 2.574,453 0.958,454 -0.012,455 -0.014,457 -0.029,458 -0.011,459 1.042,460 0.172,461 2.378,462 0.642,463 -0.313,464 -0.392,466 -0.734,467 -0.286,468 13.667,469 0.488,470 0.75,471 0.027,472 41,473 1.464,474 23,475 0.821,476 18,477 0.643,478 20.433,479 0.73,480 28.333,481 0.603,482 29.139,483 1.041,484 7.986,485 0.285,486 5.522,487 0.197,488 0.127,490 0.366,496 0.89,497 1.069,498 0.738,499 0.803,500 0.771,501 0.786,502 0.427,503 0.892,504 0.781,505 0.887,506 0.463,507 0.825,508 1.082,509 1.138,510 0.906,511 0.978,512 1,513 1.052,514 0.801,515 1.244,516 0.967,517 1.204,518 0.791,519 1.166,520 1.37,521 0.975,522 1.136,523 1.01,524 1.378,525 0.939,526 1.562,527 0.985,528 1.038,529 0.89,530 1.522,531 0.891,532 1.421,533 0.98,534 0.885,535 0.867,536 1.515,537 0.987,538 1.019,539 0.783,540 0.915,541 0.919,542 1.292,543 0.986,544 6,545 0.099,546 3.333,547 2.125,548 1.659,549 0.778,550 0.488,551 0.329,552 0.242,553 0.248,554 11064,555 30121,556 2.094,557 40.4,558 6,559 7,560 1,561 1,562 4,567 1.703,568 1.953,569 3.584,570 1.662,572 1,577 76.507,578 1.628,579 3.774,580 4.407,581 4.826,582 4.969,583 5.139,584 3.04,585 4.423,586 4.781,587 3.775,588 1427.04,589 8.274,590 19567.8,592 1,594 1,595 261.066,596 1.432,597 4.736,598 0.194,599 0.005,600 0.076,601 0.048,602 0.043,603 0.024,604 0.017,605 0.013,606 0.011,607 0.011,608 0.441,609 0.17,610 1,611 0.573,612 143.114,613 -0.123,614 0.028,615 0.04,616 0.098,617 -0.147,618 0.076,619 0.365,620 0.16,621 0.121,622 0.084,623 0.186,624 0.097,625 -0.166,626 -0.119,627 -0.099,628 -0.08,629 -0.131,630 -0.145,631 0.064,632 -0.278,634 -0.216,635 0.071,636 -0.183,637 -0.139,638 -0.031,639 -0.014,640 0.03,641 -0.039,642 0.079,643 -0.239,644 0.013,645 -0.064,646 0.043,647 -0.128,648 0.055,649 -0.218,650 -0.015,651 -0.071,652 -0.012,653 -0.223,654 -0.051,655 0.075,656 0.131,657 0.004,658 0.032,659 -0.048,660 0.013,661 1.949,662 5.258,663 0.75,664 27.929,665 1.002,666 1.118,667 3.448,668 11.889,669 0.712,670 3.466,671 3.807,672 4.078,673 4.344,674 4.533,675 4.564,676 4.654,677 4.779,678 4.796,679 4.86,680 7.375,681 0.674,682 389.52,683 3.466,684 5.017,685 5.872,686 6.756,687 7.625,688 8.512,689 9.388,690 10.276,691 11.156,692 12.046,693 10.6,697 1,700 2,703 2,708 2,709 9,710 2,713 1,714 7,716 22,727 1,735 47,737 23,738 2,739 31,741 50,742 21,743 18,744 5,745 7,748 4,749 5,753 1,754 2,762 19,763 2,767 1,772 1,776 1,780 1,783 19,784 6,785 4,786 7,787 1,792 5,797 0.75,798 1,810 1,815 1,816 3,819 1,843 3,845 1,847 2,851 28,852 1,860 2,869 1,874 2.1,877 1,881 14.333,882 9.067,883 6.056,884 2.601,886 4.129,887 1.538,888 1.033,889 5.074,890 11.803,891 3.784,892 4.446,893 5.059,894 5.687,895 6.215,896 6.497,897 6.896,898 7.343,899 7.571,900 7.914,901 1,902 44,903 10.288,905 4.365,906 7.732,907 19.56,909 15.97,911 2.232,912 62.5,915 1,916 176.567,917 159.279,918 102.49,920 25.145,922 31.278,923 128.001,924 201.711,925 102.49,926 17.65,927 36.022,928 106.88,929 70.804,930 29.447,931 18.375,932 184.302,934 176.567,935 230.491,936 25.145,937 31.278,939 176.567,940 25.145,943 62.607,944 134.312,945 33.571,946 31.278,947 176.567,948 127.635,949 159.279,952 176.567,953 59.027,954 100.252,955 36.022,956 91.613,957 176.567,958 127.635,959 159.279,961 0.589,962 0.345,963 0.185,964 0.098,965 22,966 10,967 0.06,968 3,969 1,970 1.095,971 4.048,972 239.749,973 0.095,974 21,975 130.606,977 1,981 18.541,982 7.663,983 3.915,984 1.721,985 127.635,986 16.923,987 8.341,990 1.53,991 6.238,993 68.919,994 463.48,995 43,1000 12.258,1004 -0.283,1007 47.098,1008 52.527,1009 0.293,1010 0.679,1011 0.793,1012 0.869,1013 0.895,1014 0.925,1015 5.014,1016 1.494,1017 5.866,1018 4.929,1019 4.489,1020 5.133,1021 1.758,1022 6.681,1023 4.41,1024 6.249,1025 1.414,1026 7.43,1027 4.02,1028 4.111,1029 4.997,1030 1.195,1031 7.585,1032 4.03,1033 7.569,1034 1.065,1035 9.09,1036 3.521,1037 6.089,1038 7.403,1039 2.415,1040 10.691,1041 5.952,1042 8.926,1043 1,1044 10.808,1045 2.687,1046 6.509,1047 8.091,1048 2.324,1049 12.459,1050 6.365,1051 10.312,1052 0.745,1053 12.564,1054 2.275,1055 7.971,1056 9.976,1057 3.244,1058 15.099,1059 7.784,1060 11.721,1061 0.291,1062 14.348,1063 1.811,1064 8.766,1065 11.074,1066 3.407,1067 17.251,1068 8.562,1069 13.148,1070 -0.012,1071 16.155,1072 0.685,1073 10.025,1074 12.74,1075 4.156,1076 19.744,1077 9.785,1078 3.229,1079 -0.313,1080 17.979,1081 -0.029,1082 11.002,1083 14.05,1084 4.464,1085 22.065,1086 10.736,1087 2.85,1088 11.489,1089 19.819,1090 -0.734,1091 12.182,1092 15.623,1093 5.111,1094 24.515,1095 11.882,1096 2.676,1097 8.386,1098 21.671,1099 4.626,1100 13.248,1101 17.041,1102 5.504,1103 26.905,1104 12.916,1105 2.454,1106 8.064,1107 23.535,1108 3.875,1109 14.401,1110 18.577,1111 6.091,1112 29.345,1113 14.036,1114 2.21,1115 7.37,1116 25.408,1117 3.672,1118 15.51,1119 20.048,1120 6.531,1121 31.765,1122 15.111,1123 1.993,1124 6.571,1125 27.289,1126 3.104,1127 16.658,1128 21.573,1129 7.083,1130 34.203,1131 16.224,1132 1.806,1133 5.677,1134 29.177,1135 2.891,1136 17.791,1137 23.071,1138 7.551,1139 36.635,1140 17.32,1141 10420,1142 17392,1143 20.69,1144 33.461,1145 47.007,1146 47.673,1147 48.421,1148 46.383,1149 46.458,1150 64.129,1151 3.806,1152 134.972,1153 44.494,1154 5.534,1155 5.563,1156 6.428,1157 5.299,1158 5.229,1159 7.626,1160 2.912,1161 18.662,1162 5.118,1163 14.058,1164 1.516,1165 1.538,1166 1.562,1167 1.496,1168 1.499,1169 2.069,1170 0.123,1171 4.354,1172 1.435,1173 4.094,1174 4.112,1175 4.324,1176 4.08,1177 7.431,1178 4.043,1179 3.954,1180 3.986,1181 3.905,1182 3.889,1183 5.222,1184 3.885,1185 3.832,1186 3.867,1187 3.809,1188 3.76,1189 4.802,1190 3.749,1191 3.461,1192 3.512,1193 3.443,1194 3.21,1195 4.745,1196 3.248,1197 3.275,1198 3.329,1199 3.398,1200 3.137,1201 4.695,1202 3.121,1203 3.152,1204 3.245,1205 3.025,1206 2.994,1207 4.269,1208 2.971,1209 3.114,1210 3.184,1211 2.932,1212 2.942,1213 4.056,1214 2.927,1215 2.993,1216 3.1,1217 2.898,1218 2.76,1219 3.868,1220 2.759,1221 0.151,1222 0.115,1223 0.222,1224 0.135,1225 0.104,1226 4.666,1227 0.149,1228 3.563,1229 0.053,1230 6.884,1231 0.371,1232 4.192,1233 0.101,1234 3.229,1235 4.626,1236 1.656,1237 11.489,1238 3.118,1239 1.952,1240 1.927,1241 2.06,1242 2.049,1243 1.193,1244 2.05,1245 1.932,1246 1.906,1247 2.026,1248 2.014,1249 1.155,1250 2.02,1251 1.748,1252 1.717,1253 1.789,1254 1.904,1255 0.872,1256 1.886,1257 1.398,1258 1.379,1259 1.568,1260 1.633,1261 0.631,1262 1.607,1263 1.294,1264 1.251,1265 1.559,1266 1.42,1267 0.616,1268 1.476,1269 1.191,1270 1.104,1271 1.389,1272 1.407,1273 0.58,1274 1.448,1275 1.072,1276 1.014,1277 1.251,1278 1.313,1279 0.232,1280 1.33,1281 0.886,1282 0.821,1283 1.181,1284 1.218,1285 0.218,1286 1.216,1287 4.143,1289 5.476,1290 2.398,1291 6.999,1292 4.727,1293 8.607,1294 6.862,1295 10.261,1297 4.056,1301 6.018,1305 5.7,1314 31.697,1315 76.507,1316 177.375,1317 207.15,1318 226.801,1319 233.556,1320 241.556,1321 40.142,1322 7.675,1323 92.93,1324 121.17,1325 23,1326 12.577,1327 4.585,1328 3.7,1329 42.818,1330 127,1331 114,1332 0.165,1333 199.533,1334 332.08,1335 478.621,1336 24583,1338 19.673,1339 0.703,1340 0.582,1341 20.027,1342 16.301,1343 13.508,1344 0.436,1345 0.31,1346 8.732,1347 12.686,1348 8.356,1349 6.995,1350 13.962,1351 9.624,1352 12.478,1353 0.284,1354 0.168,1355 13.029,1356 7.402,1357 10.476,1358 0.181,1359 0.095,1360 11.15,1361 5.504,1362 8.768,1363 0.115,1364 0.051,1365 9.63,1366 3.88,1367 6.881,1368 0.075,1369 0.027,1370 7.634,1371 2.529,1372 0.267,1373 88.18,1374 0.22,1375 27.201,1376 0.433,1377 150,1378 413.864,1379 183.906,1380 434.584,1381 601.55,1382 406,1383 177,1384 437.318,1385 206.864,1386 464.473,1387 675.43,1388 435,1389 6.7}
{0 CHEMBL2000345,1 1.692,2 9.375,3 4.528,4 20.506,5 95.7,6 10.112,7 0.615,8 3.752,9 3.842,10 3.575,11 3.374,12 5.012,13 3.359,14 4.207,15 4.337,16 3.99,17 3.745,18 5.386,19 3.715,20 4.384,21 4.512,22 4.15,23 3.874,24 5.656,25 3.815,26 4.482,27 4.669,28 4.11,29 3.831,30 5.702,31 3.746,32 4.366,33 4.565,34 4.023,35 3.713,36 5.567,37 3.632,38 4.224,39 4.399,40 4.11,41 3.626,42 5.535,43 3.564,44 4.177,45 4.365,46 3.822,47 3.558,48 5.487,49 3.464,50 3.987,51 4.135,52 3.679,53 3.399,54 5.422,55 3.324,56 0.07,57 0.507,58 3.887,59 3.113,60 10.965,61 3.376,62 0.173,63 0.793,64 9.902,65 5.418,66 17.53,67 6.049,68 0.264,69 0.941,70 14.49,71 6.595,72 27.006,73 7.067,74 0.359,75 1.039,76 26.818,77 7.974,78 43.181,79 8.73,80 0.321,81 0.917,82 23.043,83 7.073,84 42.201,85 7.844,86 0.238,87 0.822,88 15.617,89 5.277,90 30.588,91 5.973,92 0.326,93 0.747,94 29.7,95 6.354,96 42.76,97 6.983,98 0.226,99 0.618,100 7.71,101 4.41,102 39.775,103 5.084,104 30,105 37,106 0.298,107 0.718,108 0.827,109 0.881,110 0.881,111 0.881,112 3.229,113 0.918,114 -4.03,115 -3.98,116 -3.77,117 1,119 47.4,120 1,124 1,135 1,136 1,142 5,143 2,144 3,146 1,152 1,158 1,161 1,172 7,175 4,178 1,180 3,183 9,188 6,191 1,193 4,196 7,199 1,200 5,203 1,205 4,208 4,213 4,218 3,221 4,225 6,230 3,233 5,237 2,238 2,241 1,246 5,250 1,253 2,254 1,258 7,264 2,272 5,276 800,277 16.066,278 16.066,279 16.066,280 16.066,281 16.066,282 13.839,283 12.47,284 9.192,285 16.52,286 12.686,287 12.686,288 12.686,289 12.686,290 12.686,291 9.158,292 10.169,293 4.202,294 13.428,295 3.556,296 1.174,297 0.556,298 0.25,299 0.25,300 0.25,301 3.905,305 1,306 1,307 476,308 3.162,311 51.342,312 149.655,315 100.417,319 1.458,320 23.399,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 51.25,332 225,333 4.544,334 4.069,335 6.402,336 4.052,337 3.093,338 4.463,339 2.035,340 9.981,341 2.965,342 4.378,343 3.269,344 6.249,345 3.921,346 2.975,347 4.083,348 0.86,349 9.383,350 2.802,351 4.068,352 3.058,353 5.931,354 3.591,355 2.613,356 3.518,358 8.317,359 2.549,360 3.68,361 2.825,362 5.688,363 3.266,364 2.342,365 3.063,367 7.364,368 2.164,369 3.55,370 2.602,371 4.963,372 3.071,373 2.094,374 2.859,376 5.821,377 2.015,378 3.198,379 2.267,380 4.577,381 2.614,382 1.689,383 2.312,385 4.733,386 1.502,387 3.063,388 2.003,389 4.403,390 2.495,391 1.531,392 2.234,394 4.291,395 1.473,396 3.009,397 1.615,398 4.225,399 2.218,400 1.276,401 1.926,403 3.536,404 1.195,405 2.568,406 1.523,407 3.474,408 1.718,409 0.894,410 1.069,412 1.902,413 0.669,414 1.957,415 1.221,416 3.159,417 1.424,418 0.471,419 0.692,421 1.179,422 0.448,423 1.937,424 0.696,425 2.852,426 1.299,427 0.378,428 0.599,430 0.595,431 0.345,432 1.287,433 0.52,434 2.575,435 0.875,436 -0.013,437 -0.018,439 -0.02,440 -0.01,441 0.951,442 0.076,443 2.509,444 0.559,445 -0.416,446 -0.535,448 -1.054,449 -0.311,450 0.812,451 -0.174,452 2.342,453 0.33,454 -0.506,455 -0.617,457 -1.239,458 -0.408,459 0.653,460 -0.185,461 2.15,462 0.231,463 -0.699,464 -0.857,466 -1.656,467 -0.647,468 12.2,469 0.508,470 0.66,471 0.028,472 34.5,473 1.438,474 19.5,475 0.813,476 15,477 0.625,478 18.484,479 0.77,480 23.8,481 0.626,482 23.443,483 0.977,484 6.694,485 0.279,486 4.818,487 0.201,488 0.251,490 0.369,496 0.916,497 1.058,498 0.486,499 0.747,500 0.765,501 0.755,502 0.938,503 0.947,504 0.566,505 0.698,506 0.555,507 0.702,508 0.923,509 1.241,510 0.975,511 1.047,512 0.758,513 1.057,514 0.968,515 0.986,516 1.096,517 1.068,518 0.905,519 1.039,520 1.004,521 0.994,522 0.945,523 0.898,524 1.149,525 0.878,526 0.841,527 1.215,528 0.996,529 1.042,530 1.078,531 0.967,532 0.818,533 0.886,534 1.782,535 1.176,536 1.192,537 0.981,538 0.743,539 1.178,540 0.742,541 1.031,542 0.875,543 1.139,544 6,545 0.083,546 3.111,547 1.854,548 1.783,549 0.809,550 0.568,551 0.465,552 0.196,553 0.21,554 5937,555 19419,556 2.015,557 36.8,558 3,559 9,562 2,567 1.671,568 1.846,569 3.239,570 0.296,577 64.305,578 1.692,579 4.073,580 4.692,581 4.998,582 4.998,583 4.998,584 2.705,585 4.418,586 4.559,587 3.366,588 929.135,589 7.877,590 10807.1,592 1,595 199.421,596 1.528,597 4.493,598 0.231,599 0.008,600 0.084,601 0.049,602 0.054,603 0.027,604 0.02,605 0.018,606 0.009,607 0.013,608 0.512,609 0.5,610 1,611 0.961,612 113.305,613 -0.112,614 -0.031,615 -0.005,616 0.027,617 -0.094,618 0.037,619 -0.047,620 0.05,621 0.046,622 0.146,623 0.021,624 0.168,625 0.01,626 -0.235,627 -0.055,628 -0.132,629 0.006,630 -0.185,631 -0.011,632 0.011,633 -0.035,634 -0.081,635 0.005,636 -0.07,637 -0.06,638 -0.004,639 0.038,640 0.079,641 -0.084,642 0.111,643 0.015,644 -0.153,645 0.087,646 -0.084,647 -0.019,648 -0.043,649 0.15,650 0.118,651 -0.172,652 -0.036,653 0.039,654 0.031,655 0.25,656 -0.191,657 0.008,658 -0.145,659 0.275,660 -0.242,661 1.64,662 3.786,663 0.625,664 18.444,665 1.013,666 1.112,667 2.798,668 7.831,669 0.733,670 3.296,671 3.638,672 3.912,673 4.159,674 4.382,675 4.443,676 4.466,677 4.564,678 4.5,679 4.522,680 5.688,681 0.702,682 384.25,683 3.296,684 4.844,685 5.7,686 6.586,687 7.462,688 8.35,689 9.233,690 10.121,691 11.006,692 11.895,693 7.9,701 1,702 1,703 1,708 2,709 5,710 1,711 1,714 6,716 16,732 1,733 1,734 1,735 38,737 18,738 2,739 26,740 1,741 40,742 18,743 13,744 7,745 5,746 2,748 3,749 4,754 1,761 1,762 15,763 2,767 1,774 1,776 1,780 1,783 14,784 4,785 2,786 6,787 1,789 1,792 3,797 0.667,798 2,815 1,816 2,819 1,825 1,834 1,835 1,843 2,846 1,847 2,851 24,857 1,861 1,866 1,870 1,872 1,873 1,874 5.3,876 1,879 1,881 13,882 7.66,883 5.361,884 2.076,886 3.692,887 1.527,888 0.974,889 4.612,890 10.694,891 3.638,892 4.287,893 4.939,894 5.55,895 6.127,896 6.511,897 6.891,898 7.341,899 7.566,900 7.916,901 1,902 38,903 8.787,905 3.694,906 7.885,907 16.425,909 13.123,911 2.385,912 57.25,916 141.253,917 117.639,918 110.585,920 53.683,923 163.593,924 194.936,925 64.63,926 19.708,928 56.857,929 78.399,930 78.844,931 2.144,932 141.253,933 45.954,934 141.253,935 182.269,936 53.683,938 45.954,939 141.253,940 53.683,943 61.142,944 94.865,945 26.262,946 45.954,947 141.253,948 118.314,949 163.593,952 141.253,953 24.471,954 76.566,955 79.341,956 101.528,957 141.253,958 118.314,959 163.593,961 0.585,962 0.354,963 0.188,964 0.104,965 18,966 9,967 0.075,968 3,969 1,970 1.133,971 3.512,972 195.041,973 0.133,974 15,975 110.039,981 16.568,982 6.681,983 3.333,984 1.688,985 101.528,986 9.076,987 4.488,988 3.156,991 3.325,993 59.469,994 423.16,995 37,1002 1.691,1004 0.386,1007 38.491,1008 42.247,1009 0.322,1010 0.776,1011 0.894,1012 0.952,1013 0.952,1014 0.952,1015 4.883,1016 1.276,1017 5.707,1018 4.291,1019 4.317,1020 4.973,1021 2.376,1022 6.532,1023 4.21,1024 6.14,1025 0.894,1026 7.283,1027 3.536,1028 4.007,1029 4.902,1031 7.434,1032 3.83,1033 7.474,1034 0.471,1035 8.951,1036 1.902,1037 5.938,1038 7.278,1039 3.594,1040 10.503,1041 5.75,1042 8.842,1043 0.378,1044 10.669,1045 1.179,1046 6.399,1047 8.002,1049 12.164,1050 6.132,1051 10.236,1052 -0.013,1053 12.417,1054 0.595,1055 7.826,1056 9.856,1057 4.968,1058 14.748,1059 7.552,1060 11.649,1061 -0.416,1062 14.186,1063 -0.02,1064 8.633,1065 10.958,1067 16.735,1068 8.282,1069 13.078,1070 -0.506,1071 15.969,1072 -1.054,1073 9.865,1074 12.596,1075 6.379,1076 19.135,1077 9.497,1078 3.093,1079 -0.699,1080 17.763,1081 -1.239,1082 10.833,1083 13.886,1085 21.272,1086 10.395,1087 2.975,1088 9.981,1089 19.564,1090 -1.656,1091 11.986,1092 15.429,1093 7.797,1094 23.598,1095 11.521,1096 2.613,1097 9.383,1098 21.372,1099 4.463,1100 13.029,1101 16.814,1103 25.806,1104 12.503,1105 2.342,1106 8.317,1107 23.185,1108 4.083,1109 14.152,1110 18.316,1111 9.217,1112 28.102,1113 13.591,1114 2.094,1115 7.364,1116 25.002,1117 3.518,1118 15.23,1119 19.748,1121 30.346,1122 14.613,1123 1.689,1124 5.821,1125 26.822,1126 3.063,1127 16.343,1128 21.235,1129 10.638,1130 32.63,1131 15.687,1132 1.531,1133 4.733,1134 28.645,1135 2.859,1136 17.439,1137 22.691,1139 34.893,1140 16.731,1141 5870,1142 10744,1143 16.819,1144 27.847,1145 40.592,1146 42.577,1147 41.229,1148 38.86,1149 38.712,1150 53.637,1151 5.789,1152 114.207,1153 36.251,1154 5.215,1155 6.069,1156 5.929,1157 5.067,1158 5.093,1159 7.463,1160 4.069,1161 16.731,1162 4.965,1163 13.837,1164 1.561,1165 1.638,1166 1.586,1167 1.495,1168 1.489,1169 2.063,1170 0.223,1171 4.393,1172 1.394,1173 4.121,1174 4.16,1175 6.88,1176 4.015,1177 6.82,1178 4.026,1179 3.925,1180 3.934,1181 4.085,1182 3.879,1183 6.47,1184 3.87,1185 3.597,1186 3.634,1187 3.813,1188 3.492,1189 5.059,1190 3.501,1191 3.336,1192 3.394,1193 3.543,1194 3.17,1195 4.772,1196 3.18,1197 3.234,1198 3.296,1199 3.244,1200 3.015,1201 4.435,1202 3.001,1203 2.967,1204 3.04,1205 3.005,1206 2.822,1207 4.335,1208 2.815,1209 2.95,1210 2.987,1211 2.879,1212 2.758,1213 3.898,1214 2.78,1215 2.78,1216 2.873,1217 2.829,1218 2.72,1219 3.859,1220 2.653,1221 0.175,1222 0.157,1223 0.246,1224 0.156,1225 0.119,1226 4.544,1227 0.172,1228 4.069,1229 0.078,1230 6.402,1231 0.384,1232 4.052,1233 0.114,1234 3.093,1235 4.463,1236 2.035,1237 9.981,1238 2.965,1239 1.935,1240 1.909,1241 2.037,1242 2.028,1243 1.159,1244 2.032,1245 1.91,1246 1.9,1247 1.949,1248 1.986,1249 1.111,1250 1.983,1251 1.592,1252 1.561,1253 1.669,1254 1.764,1255 0.713,1256 1.737,1257 1.261,1258 1.193,1259 1.56,1260 1.508,1261 0.608,1262 1.527,1263 1.19,1264 1.122,1265 1.521,1266 1.456,1267 0.562,1268 1.482,1269 1.056,1270 0.996,1271 1.226,1272 1.296,1273 0.242,1274 1.278,1275 0.865,1276 0.822,1277 1.098,1278 1.104,1279 0.153,1280 1.077,1281 0.802,1282 0.724,1283 1.046,1284 1.038,1285 0.104,1286 1.061,1287 3.97,1289 5.303,1290 2.398,1291 6.828,1292 4.727,1293 8.439,1294 6.843,1295 10.095,1296 3.385,1297 3.47,1302 9.786,1306 5.116,1312 9.518,1313 2.165,1314 26.68,1315 64.305,1316 154.792,1317 178.302,1318 189.911,1319 189.911,1320 189.911,1321 40.496,1322 7.002,1323 81.93,1324 81.93,1325 17,1326 12.426,1327 4.248,1328 3.585,1329 39.199,1330 81,1331 78,1332 0.237,1333 172.268,1334 293.64,1335 412.093,1336 9269,1337 2.6,1338 17.267,1339 0.719,1340 0.612,1341 18.267,1342 14.678,1343 11.512,1344 0.443,1345 0.306,1346 7.118,1347 10.586,1348 6.822,1349 5.7,1350 12.089,1351 7.959,1352 10.428,1353 0.282,1354 0.167,1355 11.17,1356 6.176,1357 8.893,1358 0.181,1359 0.088,1360 9.6,1361 4.299,1362 7.223,1363 0.115,1364 0.045,1365 7.867,1366 2.831,1367 5.728,1368 0.073,1369 0.024,1370 6.27,1371 1.923,1372 0.367,1373 80.304,1374 0.244,1375 23.187,1376 0.667,1377 126,1378 392.163,1379 201.71,1380 423.072,1381 564.21,1382 392,1383 149,1384 386.788,1385 193.367,1386 410.752,1387 595.22,1388 383,1389 5.2}
{0 CHEMBL2000354,1 1.708,2 10.652,3 3.496,4 12.219,5 91.11,6 8.822,7 0.48,8 3.732,9 3.814,10 3.483,11 3.353,12 4.974,13 3.326,14 4.172,15 4.283,16 3.866,17 3.692,18 5.42,19 3.649,20 4.333,21 4.473,22 3.83,23 3.719,24 5.611,25 3.659,26 4.295,27 4.466,28 3.711,29 3.645,30 5.502,31 3.551,32 4.266,33 4.436,34 3.683,35 3.644,36 5.441,37 3.526,38 4.22,39 4.408,40 3.628,41 3.515,42 5.425,43 3.433,44 4.017,45 4.163,46 3.424,47 3.264,48 5.483,49 3.238,50 3.876,51 4.052,52 3.192,53 3.129,54 5.208,55 3.071,56 0.08,57 0.499,58 5.92,59 3.374,60 9.072,61 3.489,62 0.229,63 0.798,64 11.754,65 5.371,66 17.612,67 5.758,68 0.331,69 0.904,70 16.614,71 6.837,72 32.029,73 7.052,74 0.306,75 0.868,76 15.359,77 6.546,78 34.61,79 7.08,80 0.287,81 0.877,82 19.633,83 7.257,84 35.269,85 7.212,86 0.277,87 0.822,88 18.988,89 6.654,90 30.832,91 6.926,92 0.355,93 0.64,94 13.05,95 4.678,96 50.144,97 4.624,98 0.37,99 0.532,100 10.193,101 3.993,102 41.888,103 4.513,104 11,105 34,106 0.306,107 0.646,108 0.761,109 0.858,110 0.871,111 0.871,112 3.188,113 0.923,114 -3.73,115 -3.69,116 -3.51,119 45.9,124 1,135 1,138 1,142 8,143 1,144 3,158 1,159 1,172 8,175 4,178 2,180 2,183 9,188 6,191 1,193 3,196 5,199 1,200 4,205 5,208 4,213 4,218 4,221 3,225 5,230 3,233 3,238 4,241 1,242 1,246 4,249 1,250 1,253 2,258 7,263 1,272 7,276 746,277 15.61,278 15.61,279 15.61,280 15.61,281 15.61,282 13.576,283 14.539,284 9.286,285 16.095,286 12.299,287 12.299,288 12.299,289 12.299,290 12.299,291 9.185,292 15.157,293 4.38,294 13.043,295 3.501,296 1.602,297 0.96,298 0.419,299 0.345,300 0.345,301 3.869,304 1,305 1,306 1,307 522,308 2.55,311 66.694,312 161.446,319 1.754,320 23.846,321 1,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 50,332 245,333 4.338,334 4.69,335 6.187,336 3.924,337 2.988,338 3.938,339 3.655,340 9.264,341 2.815,342 4.193,343 3.458,344 6.048,345 3.775,346 2.833,347 3.673,348 1.055,349 8.671,350 2.651,351 3.953,352 3.126,353 5.493,354 3.5,355 2.531,356 3.454,357 0.86,358 7.383,359 2.45,360 3.566,361 3.034,362 5.224,363 3.174,364 2.209,365 2.881,366 0.624,367 6.542,368 2.123,369 3.343,370 2.535,371 4.866,372 2.807,373 1.872,374 2.577,376 5.414,377 1.72,378 2.848,379 2.296,380 4.192,381 2.417,382 1.478,383 1.978,385 3.747,386 1.381,387 2.815,388 1.887,389 4.104,390 2.36,391 1.387,392 1.927,394 3.491,395 1.339,396 2.762,397 1.545,398 3.584,399 2.198,400 1.27,401 1.685,403 3.01,404 1.144,405 2.5,406 1.106,407 3.247,408 2,409 1,410 1.5,412 2.136,413 1,414 1.831,415 1.01,416 3.077,417 1.544,418 0.664,419 0.75,421 1.209,422 0.577,423 1.369,424 1,425 2.81,426 0.899,432 1.156,433 0.541,434 2.738,435 0.834,436 -0.114,437 -0.139,439 -0.267,440 -0.107,441 0.945,442 0.364,443 2.307,444 0.566,445 -0.337,446 -0.405,448 -0.735,449 -0.299,450 0.779,451 0.134,452 2,453 0.345,454 -0.651,455 -0.871,457 -1.605,458 -0.625,459 0.659,460 -0.385,461 1.87,462 0.114,463 -0.845,464 -1.182,466 -2.069,467 -0.8,468 11.133,469 0.484,470 0.52,471 0.023,472 32.5,473 1.413,474 18,475 0.783,476 14.5,477 0.63,478 15.11,479 0.657,480 23.667,481 0.64,482 22.268,483 0.968,484 6.599,485 0.287,486 4.553,487 0.198,488 0.105,490 0.314,496 0.862,497 1.031,498 0.709,499 0.83,500 0.77,501 0.789,502 0.837,503 1.05,504 0.792,505 0.946,506 0.645,507 0.866,508 0.951,509 1.179,510 1.064,511 1.156,512 0.996,513 1.061,514 1.043,515 1.017,516 0.957,517 0.922,518 0.917,519 0.999,520 1.117,521 1.063,522 1.459,523 1.196,524 1.171,525 1.02,526 1.058,527 1.055,528 1.166,529 1.122,530 1.159,531 0.901,532 1.213,533 1.118,534 1.131,535 1.168,536 1.537,537 1.059,538 0.999,539 0.725,540 0.788,541 0.705,542 1.368,543 0.874,544 5,545 0.082,546 2,547 1.792,548 0.929,549 0.674,550 0.47,551 0.303,552 0.167,553 0.085,554 5948,555 18673,556 2.067,557 37.8,559 12,562 2,567 1.654,568 1.944,569 3.382,570 0.321,572 1,574 1,577 63.205,578 1.708,579 3.607,580 4.25,581 4.79,582 4.865,583 4.865,584 2.914,585 4.263,586 4.493,587 3.525,588 891.795,589 7.72,590 10336.9,591 1,592 1,593 1,594 1,595 192.75,596 1.371,597 4.458,598 0.2,599 0.007,600 0.059,601 0.056,602 0.034,603 0.026,604 0.019,605 0.014,606 0.01,607 0.006,608 0.431,609 0.5,610 1,611 0.777,612 108.94,613 -0.105,614 -0.009,615 0.034,616 0.068,617 -0.134,618 0.051,619 0.039,620 -0.025,621 0.107,622 0.019,623 0.015,624 0.019,625 0.03,626 -0.172,627 -0.074,628 -0.159,629 -0.019,630 -0.136,631 -0.081,632 -0.022,633 0.02,634 0.053,635 -0.015,636 -0.04,637 -0.182,638 -0.011,639 -0.154,640 -0.009,641 -0.137,642 -0.014,643 -0.076,644 -0.028,645 0.045,646 -0.015,647 -0.007,648 0.111,649 0.094,650 -0.101,651 -0.144,652 -0.216,653 0.112,654 -0.166,655 0.235,656 0.221,657 0.052,658 0.161,659 0.033,660 0.064,661 1.875,662 5.019,663 0.739,664 20.442,665 1.015,666 1.109,667 2.496,668 6.231,669 0.719,670 3.258,671 3.555,672 3.784,673 4.007,674 4.143,675 4.143,676 4.248,677 4.344,678 4.382,679 4.382,680 6.166,681 0.69,682 326.4,683 3.258,684 4.779,685 5.609,686 6.469,687 7.314,688 8.178,689 9.029,690 9.895,691 10.749,692 11.616,693 5.4,700 1,702 1,709 8,714 4,716 12,732 1,733 1,735 37,737 15,738 2,739 25,741 39,742 17,743 12,744 4,745 8,746 4,748 3,749 3,762 16,763 1,767 3,772 1,774 1,775 1,776 3,779 1,780 1,783 14,784 5,785 2,786 6,787 1,792 2,797 1,798 3,815 1,816 2,829 1,834 2,843 3,844 1,845 1,847 1,851 23,857 1,860 1,861 1,862 1,874 8.1,876 1,877 1,879 1,881 11.833,882 6.9,883 5.139,884 1.956,886 3.238,887 1.473,888 0.964,889 4.695,890 10.085,891 3.555,892 4.127,893 4.654,894 5.17,895 5.669,896 5.837,897 6.209,898 6.557,899 6.855,900 7.123,901 1,902 32,903 8.454,905 3.562,906 7.913,907 15.762,909 12.501,911 2.413,912 55.5,916 141.253,917 146.523,918 34.796,920 78.828,922 32.22,923 114.303,924 220.081,925 34.796,926 10.883,927 18.011,928 85.286,929 74.084,930 38.971,931 0.693,932 173.473,934 141.253,935 149.1,936 78.828,937 32.22,939 141.253,940 78.828,943 34.796,944 103.277,945 11.027,946 32.22,947 141.253,948 113.624,949 146.523,952 141.253,953 50.354,954 96.169,955 18.011,956 95.614,957 141.253,958 113.624,959 146.523,961 0.574,962 0.334,963 0.176,964 0.089,965 16,966 7,967 0.077,968 3,970 1,971 3.607,972 175.757,974 17,975 100.042,977 1,981 15.654,982 6.898,983 3.754,985 113.624,986 14.378,991 1.908,993 60.694,994 401.401,995 34,1000 12.019,1002 1.701,1003 4.383,1004 0.842,1007 37.564,1008 41.036,1009 0.328,1010 0.692,1011 0.816,1012 0.92,1013 0.934,1014 0.934,1015 4.771,1016 1.27,1017 5.58,1018 3.491,1019 4.234,1020 4.812,1021 3.442,1022 6.34,1023 4.124,1024 5.975,1025 1,1026 7.107,1027 3.01,1028 3.761,1029 4.511,1030 1.998,1031 7.096,1032 3.586,1033 7.272,1034 0.664,1035 8.729,1036 2.136,1037 5.784,1038 6.949,1039 5.8,1040 10.154,1041 5.57,1042 8.602,1044 10.403,1045 1.209,1046 6.111,1047 7.408,1048 4.966,1049 11.701,1050 5.811,1051 9.959,1052 -0.114,1053 12.11,1055 7.595,1056 9.325,1057 8.334,1058 14.245,1059 7.273,1060 11.334,1061 -0.337,1062 13.839,1063 -0.267,1064 8.302,1065 10.158,1066 7.845,1067 16.137,1068 7.884,1069 12.724,1070 -0.651,1071 15.585,1072 -0.735,1073 9.554,1074 11.826,1075 10.885,1076 18.482,1077 9.112,1078 2.988,1079 -0.845,1080 17.342,1081 -1.605,1082 10.446,1083 12.866,1084 10.642,1085 20.535,1086 9.911,1087 2.833,1088 9.264,1089 19.108,1090 -2.069,1091 11.595,1092 14.399,1093 13.438,1094 22.798,1095 11.027,1096 2.531,1097 8.671,1098 20.882,1099 3.938,1100 12.579,1101 15.561,1102 13.39,1103 24.929,1104 11.924,1105 2.209,1106 7.383,1107 22.661,1108 3.673,1109 13.682,1110 17.016,1111 15.994,1112 27.157,1113 12.986,1114 1.872,1115 6.542,1116 24.446,1117 3.454,1118 14.711,1119 18.251,1120 16.105,1121 29.327,1122 13.936,1123 1.478,1124 5.414,1125 26.234,1126 2.881,1127 15.797,1128 19.662,1129 18.553,1130 31.542,1131 14.972,1132 1.387,1133 3.747,1134 28.025,1135 2.577,1136 16.849,1137 20.943,1138 18.797,1139 33.731,1140 15.951,1141 5788,1142 10390,1143 16.701,1144 26.591,1145 37.116,1146 39.996,1147 37.861,1148 36.519,1149 36.464,1150 48.727,1151 12.388,1152 101.735,1153 34.4,1154 5.116,1155 6.69,1156 5.989,1157 5.05,1158 4.988,1159 6.938,1160 7.134,1161 15.592,1162 4.815,1163 10.498,1164 1.485,1165 1.6,1166 1.514,1167 1.461,1168 1.459,1169 1.949,1170 0.496,1171 4.069,1172 1.376,1173 3.971,1174 3.99,1175 4.087,1176 3.907,1177 7.429,1178 3.899,1179 3.887,1180 3.914,1181 3.842,1182 3.818,1183 6.47,1184 3.815,1185 3.68,1186 3.696,1187 3.765,1188 3.594,1189 4.865,1190 3.566,1191 3.274,1192 3.331,1193 3.166,1194 3.044,1195 4.777,1196 3.06,1197 3.085,1198 3.143,1199 3.011,1200 2.881,1201 4.494,1202 2.89,1203 2.943,1204 2.975,1205 2.889,1206 2.746,1207 4.364,1208 2.751,1209 2.875,1210 2.93,1211 2.809,1212 2.735,1213 3.915,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.689,1219 3.674,1220 2.692,1221 0.174,1222 0.188,1223 0.247,1224 0.157,1225 0.12,1226 4.338,1227 0.158,1228 4.69,1229 0.146,1230 6.187,1231 0.371,1232 3.924,1233 0.113,1234 2.988,1235 3.938,1236 3.655,1237 9.264,1238 2.815,1239 1.903,1240 1.89,1241 2.004,1242 1.993,1243 1.099,1244 1.991,1245 1.884,1246 1.854,1247 1.986,1248 1.978,1249 1.05,1250 1.988,1251 1.45,1252 1.445,1253 1.593,1254 1.656,1255 0.64,1256 1.62,1257 1.267,1258 1.224,1259 1.475,1260 1.52,1261 0.545,1262 1.52,1263 1.165,1264 1.094,1265 1.288,1266 1.383,1267 0.337,1268 1.407,1269 0.886,1270 0.84,1271 1.181,1272 1.143,1273 0.218,1274 1.131,1275 0.883,1276 0.821,1277 1.138,1278 1.062,1279 0.157,1280 1.107,1281 0.83,1282 0.781,1283 1.048,1284 1.046,1285 0.092,1286 1.052,1287 3.932,1289 5.231,1290 2.398,1291 6.715,1292 4.727,1293 8.279,1294 6.783,1295 9.881,1297 1.486,1302 9.793,1305 2.728,1306 5,1307 1.262,1314 25.535,1315 63.205,1316 133.466,1317 157.24,1318 177.24,1319 179.995,1320 179.995,1321 37.569,1322 6.847,1323 74.68,1324 102.92,1325 17,1326 12.164,1327 4,1328 3.322,1329 36.991,1330 84,1331 83,1332 0.214,1333 162.022,1334 286.9,1335 387.093,1336 8096,1338 16.234,1339 0.706,1340 0.571,1341 16.587,1342 13.132,1343 11.152,1344 0.446,1345 0.308,1346 6.841,1347 10.302,1348 6.597,1349 5.505,1350 11.56,1351 7.688,1352 9.875,1353 0.29,1354 0.17,1355 10.544,1356 5.779,1357 8.153,1358 0.19,1359 0.094,1360 8.923,1361 4.048,1362 6.709,1363 0.124,1364 0.054,1365 7.599,1366 2.89,1367 4.919,1368 0.079,1369 0.028,1370 5.625,1371 1.755,1372 0.339,1373 74.082,1374 0.245,1375 22.867,1376 0.578,1377 118,1378 388.459,1379 156.095,1380 394.568,1381 533.02,1382 368,1383 136,1384 370.025,1385 169.63,1386 392.151,1387 569.78,1388 367,1389 5.1}
{0 CHEMBL2000393,1 1.824,2 10.29,3 3.366,4 11.33,5 105.914,6 9.342,7 0.611,8 3.998,9 4.095,10 3.754,11 3.525,12 5.244,13 3.574,14 4.533,15 4.663,16 4.19,17 3.947,18 5.823,19 3.988,20 4.774,21 4.939,22 4.272,23 4.051,24 6.064,25 4.085,26 4.799,27 4.977,28 4.238,29 4.036,30 6.082,31 4.062,32 4.778,33 4.953,34 4.191,35 3.997,36 6.126,37 4.02,38 4.742,39 4.939,40 4.119,41 3.913,42 6.091,43 3.933,44 4.582,45 4.767,46 4.03,47 3.798,48 6.015,49 3.824,50 4.481,51 4.672,52 3.831,53 3.677,54 5.792,55 3.686,56 0.213,57 0.893,58 5.047,59 3.545,60 16.331,61 3.367,62 0.553,63 1.462,64 11.106,65 6.151,66 30.501,67 6.063,68 0.88,69 1.747,70 18.703,71 8.188,72 81.406,73 8.339,74 0.925,75 1.772,76 19.242,77 7.75,78 76.97,79 7.783,80 0.935,81 1.74,82 19.496,83 8.146,84 97.907,85 8.223,86 1.043,87 1.587,88 21.122,89 7.445,90 97.78,91 8.09,92 0.786,93 1.422,94 16.551,95 6.54,96 82.368,97 7.143,98 0.742,99 1.245,100 15.621,101 5.909,102 63.551,103 6.179,104 10,105 54,106 0.306,107 0.699,108 0.835,109 0.9,110 0.907,111 0.907,112 3.473,113 0.801,114 -4.88,115 -4.78,116 -4.49,119 46.7,121 1,125 1,127 1,142 6,143 1,144 4,145 1,146 1,147 1,150 1,152 1,159 1,160 1,172 4,174 6,175 6,178 2,183 4,188 6,191 2,196 3,199 6,200 9,205 2,208 1,212 1,213 5,216 1,218 1,221 1,224 4,225 9,228 1,230 1,238 5,241 1,243 2,249 3,250 6,255 1,258 2,264 4,269 1,272 3,276 1500,277 21.309,278 21.309,279 21.309,280 21.309,281 21.309,282 18.581,283 27.218,284 12.146,285 21.944,286 17.779,287 17.779,288 17.779,289 17.779,290 17.779,291 13.579,292 37.083,293 5.741,294 18.897,295 3.668,296 1.331,297 0.522,298 0.133,299 0.089,300 0.089,301 4.195,305 1,306 1,307 726,308 2.55,311 114.608,312 273.566,315 212.383,316 114.187,319 1.525,320 48.452,323 1,324 0.83,325 1,326 0.4,328 1,329 1,330 0.75,331 70,332 319,333 4.635,334 3.858,335 7.039,336 4.286,337 3.342,338 4.559,339 1.706,340 12.093,341 3.156,342 4.527,343 3.42,344 6.721,345 4.102,346 3.161,347 4.094,348 0.86,349 10.952,350 2.976,351 4.337,352 3.26,353 6.538,354 3.937,355 2.986,356 3.976,357 0.728,358 10.243,359 2.834,360 3.88,361 2.914,362 5.875,363 3.456,364 2.522,365 3.301,366 0.167,367 8.066,368 2.346,369 3.616,370 2.831,371 5.688,372 3.265,373 2.321,374 2.968,376 7.475,377 2.176,378 3.492,379 2.686,380 5.261,381 3.048,382 2.116,383 2.805,385 5.964,386 1.96,387 3.331,388 2.32,389 4.962,390 2.896,391 1.92,392 2.56,394 5.811,395 1.852,396 2.995,397 2.202,398 4.795,399 2.593,400 1.653,401 2.202,403 4.986,404 1.547,405 2.959,406 1.947,407 4.567,408 2.554,409 1.618,410 2.119,412 4.312,413 1.505,414 2.944,415 1.563,416 4.367,417 2.435,418 1.476,419 2.088,421 3.757,422 1.411,423 2.627,424 1.509,425 4.087,426 2.3,427 1.338,428 1.684,430 3.716,431 1.282,432 2.612,433 1.325,434 3.968,435 2.063,436 1.14,437 1.631,439 3.014,440 1.049,441 2.298,442 1.199,443 3.54,444 2.023,445 1.101,446 1.273,448 2.462,449 1.002,450 2.088,451 0.86,452 3.373,453 1.591,454 0.662,455 0.913,457 1.636,458 0.611,459 1.755,460 0.793,461 3.236,462 1.433,463 0.514,464 0.629,466 1.371,467 0.47,468 14.138,469 0.456,470 0.833,471 0.027,472 45.75,473 1.476,474 23,475 0.742,476 22.75,477 0.734,478 22.907,479 0.739,480 32.062,481 0.712,482 36.123,483 1.165,484 8.997,485 0.29,486 6.1,487 0.197,488 0.064,490 0.446,494 2,496 0.683,497 1.146,498 0.56,499 1.033,500 0.519,501 0.827,502 0.695,503 0.894,504 0.712,505 0.924,506 0.553,507 0.862,508 0.964,509 1.075,510 0.898,511 1.013,512 0.875,513 0.95,514 0.965,515 0.904,516 1.046,517 0.935,518 0.892,519 0.986,520 1.076,521 1.027,522 1.077,523 1.066,524 1.174,525 1.071,526 0.923,527 0.816,528 1.018,529 0.838,530 0.975,531 0.914,532 0.82,533 0.947,534 0.881,535 0.991,536 0.735,537 0.963,538 1.015,539 0.882,540 1.114,541 0.911,542 1.048,543 1,544 5.5,545 0.144,546 4.222,547 2.861,548 1.938,549 1.094,550 0.766,551 0.517,552 0.333,553 0.238,554 12942,555 42717,556 2.217,557 31.1,559 9,561 2,562 1,565 2,567 1.741,568 2.09,569 3.371,570 -0.265,571 1,572 1,577 82.082,578 1.824,579 4.161,580 4.969,581 5.359,582 5.403,583 5.403,584 2.75,585 4.761,586 4.929,587 3.508,588 1631.12,589 8.631,590 21991.4,592 1,594 1,595 247.133,596 1.359,597 4.895,598 0.153,599 0.006,600 0.078,601 0.05,602 0.036,603 0.021,604 0.016,605 0.012,606 0.01,607 0.008,608 0.39,609 0.33,610 0.88,611 0.486,612 157.63,613 -0.082,614 -0.22,615 0.043,616 -0.118,617 -0.036,618 -0.023,619 0.037,620 0.025,621 0.016,622 -0.017,623 0.024,624 -0.025,625 -0.065,626 -0.132,627 0.01,628 -0.057,629 -0.039,630 -0.009,631 -0.087,632 0.013,633 -0.13,634 -0.021,635 -0.081,636 -0.071,637 -0.102,638 -0.066,639 -0.123,640 -0.105,641 -0.117,642 -0.119,643 0.022,644 0.076,645 -0.004,646 0.099,647 -0.033,648 0.062,649 0.069,650 -0.046,651 0.09,652 -0.042,653 0.15,654 0.012,655 -0.065,656 0.037,657 -0.114,658 0.044,659 -0.087,660 -0.019,661 2.141,662 6.245,663 0.903,664 25.819,665 1.038,666 1.137,667 3.645,668 13.289,669 0.703,670 3.611,671 4.007,672 4.382,673 4.745,674 5.024,675 5.17,676 5.389,677 5.606,678 5.749,679 5.883,680 6.264,681 0.71,682 420.41,683 3.611,684 5.198,685 6.103,686 7.027,687 7.947,688 8.876,689 9.801,690 10.731,691 11.658,692 12.589,693 13.3,700 2,701 1,703 3,708 2,709 8,710 3,714 7,715 1,716 22,733 1,734 2,735 45,737 23,738 2,739 36,741 50,742 21,743 17,744 6,745 6,748 6,749 9,753 1,757 2,760 2,762 18,763 3,767 1,772 1,776 1,780 1,781 2,783 14,784 9,785 1,786 10,789 1,792 6,797 0.5,798 2,810 1,815 2,816 4,819 2,820 1,843 3,849 2,851 31,858 2,860 1,861 1,863 1,864 1,873 2,874 4.4,877 1,879 1,881 14.833,882 8.369,883 6.528,884 2.696,886 4.346,887 1.487,888 1.075,889 4.035,890 13.264,891 3.892,892 4.567,893 5.224,894 5.878,895 6.446,896 6.806,897 7.277,898 7.767,899 8.113,900 8.522,901 0.857,902 57,903 11.556,905 5.344,906 8.048,907 21.3,909 18.358,911 2.548,912 79,915 1,916 153.024,917 123.869,918 73.391,920 36.145,921 29.92,923 123.869,924 189.169,925 103.311,927 28.262,928 56.857,929 107.662,930 53.518,931 40.567,932 129.482,934 153.024,935 197.26,936 66.065,939 159.402,940 59.687,943 51.87,944 95.033,945 50.357,947 182.945,948 109.536,949 123.869,952 153.024,953 49.346,954 79.547,955 18.011,956 116.422,957 153.024,958 139.456,959 123.869,961 0.598,962 0.368,963 0.214,964 0.12,965 31,966 13,967 0.04,968 2,969 3,970 1.214,971 4.135,972 317.682,973 0.214,974 28,975 153.58,981 18.373,982 6.807,983 2.816,984 1.09,985 137.557,986 11.88,987 13.139,991 0.867,992 1.553,993 18.011,994 416.349,995 48,1000 12.824,1004 -0.384,1007 46.709,1008 51.164,1009 0.332,1010 0.758,1011 0.905,1012 0.976,1013 0.984,1014 0.984,1015 5.168,1016 1.653,1017 6.116,1018 5.811,1019 4.691,1020 5.255,1021 2.136,1022 7.013,1023 4.572,1024 6.402,1025 1.618,1026 7.724,1027 4.986,1028 4.369,1029 5.156,1030 1.305,1031 8.057,1032 4.184,1033 7.739,1034 1.476,1035 9.433,1036 4.312,1037 6.365,1038 7.523,1039 2.632,1040 11.225,1041 6.132,1042 9.112,1043 1.338,1044 11.201,1045 3.757,1046 6.878,1047 8.254,1048 2.487,1049 13.116,1050 6.576,1051 10.518,1052 1.14,1053 13.008,1054 3.716,1055 8.352,1056 10.102,1057 3.438,1058 15.804,1059 8.006,1060 11.947,1061 1.101,1062 14.842,1063 3.014,1064 9.24,1065 11.222,1066 3.628,1067 18.031,1068 8.826,1069 13.394,1070 0.662,1071 16.695,1072 2.462,1073 10.519,1074 12.859,1075 4.39,1076 20.562,1077 10.058,1078 3.342,1079 0.514,1080 18.563,1081 1.636,1082 11.572,1083 14.168,1084 4.743,1085 22.925,1086 11.047,1087 3.161,1088 12.093,1089 20.442,1090 1.371,1091 12.779,1092 15.715,1093 5.404,1094 25.405,1095 12.204,1096 2.986,1097 10.952,1098 22.331,1099 4.559,1100 13.903,1101 17.116,1102 5.84,1103 27.824,1104 13.266,1105 2.522,1106 10.243,1107 24.227,1108 4.094,1109 15.088,1110 18.627,1111 6.445,1112 30.29,1113 14.397,1114 2.321,1115 8.066,1116 26.128,1117 3.976,1118 16.242,1119 20.074,1120 6.926,1121 32.736,1122 15.492,1123 2.116,1124 7.475,1125 28.035,1126 3.301,1127 17.421,1128 21.572,1129 7.499,1130 35.201,1131 16.616,1132 1.92,1133 5.964,1134 29.946,1135 2.968,1136 18.59,1137 23.043,1138 8.004,1139 37.66,1140 17.726,1141 11720,1142 21448,1143 24.679,1144 31.625,1145 56.192,1146 57.542,1147 58.033,1148 55.799,1149 55.741,1150 73.606,1151 6.923,1152 171.714,1153 52.355,1154 5.593,1155 5.858,1156 6.571,1157 5.38,1158 5.342,1159 7.559,1160 2.981,1161 19.764,1162 5.156,1163 12.587,1164 1.561,1165 1.598,1166 1.612,1167 1.55,1168 1.548,1169 2.045,1170 0.192,1171 4.77,1172 1.454,1173 4.138,1174 4.183,1175 4.116,1176 3.996,1177 8.203,1178 4.019,1179 4.006,1180 4.036,1181 3.968,1182 3.899,1183 8.2,1184 3.91,1185 3.853,1186 3.89,1187 3.826,1188 3.693,1189 7.43,1190 3.723,1191 3.513,1192 3.567,1193 3.444,1194 3.358,1195 5.099,1196 3.36,1197 3.419,1198 3.473,1199 3.326,1200 3.217,1201 4.858,1202 3.244,1203 3.22,1204 3.267,1205 3.175,1206 2.949,1207 4.768,1208 2.999,1209 3.003,1210 3.051,1211 2.934,1212 2.799,1213 4.305,1214 2.818,1215 2.917,1216 2.972,1217 2.833,1218 2.754,1219 4.177,1220 2.766,1221 0.129,1222 0.107,1223 0.196,1224 0.119,1225 0.093,1226 4.635,1227 0.127,1228 3.858,1229 0.047,1230 7.039,1231 0.336,1232 4.286,1233 0.088,1234 3.342,1235 4.559,1236 1.706,1237 12.093,1238 3.156,1239 1.944,1240 1.922,1241 2.043,1242 2.073,1243 1.315,1244 2.06,1245 1.914,1246 1.888,1247 1.982,1248 2.033,1249 1.108,1250 2.017,1251 1.718,1252 1.672,1253 1.779,1254 1.898,1255 0.919,1256 1.87,1257 1.514,1258 1.461,1259 1.724,1260 1.704,1261 0.806,1262 1.706,1263 1.336,1264 1.273,1265 1.455,1266 1.594,1267 0.514,1268 1.556,1269 1.204,1270 1.16,1271 1.343,1272 1.517,1273 0.482,1274 1.473,1275 0.941,1276 0.898,1277 1.108,1278 1.181,1279 0.102,1280 1.155,1281 0.881,1282 0.843,1283 1.054,1284 1.11,1285 0.085,1286 1.079,1287 4.29,1289 5.666,1290 3.045,1291 7.244,1292 5.476,1293 8.914,1294 7.636,1295 10.633,1299 28.017,1303 0.739,1305 2.752,1306 5.495,1308 -0.458,1309 1.487,1314 31.959,1315 82.082,1316 187.259,1317 223.624,1318 241.133,1319 243.133,1320 243.133,1321 58.385,1322 8.919,1323 90.62,1324 90.62,1325 34,1326 13.091,1327 4.585,1328 3.7,1329 39.398,1330 116,1331 112,1332 0.166,1333 186.803,1334 320.78,1335 447.558,1336 104915,1337 4.4,1338 21.112,1339 0.681,1340 0.514,1341 19.372,1342 15.919,1343 15.097,1344 0.419,1345 0.267,1346 9.405,1347 14.253,1348 9.338,1349 7.594,1350 14.293,1351 9.614,1352 14.201,1353 0.263,1354 0.135,1355 13.04,1356 7.266,1357 12.848,1358 0.163,1359 0.069,1360 12.033,1361 5.475,1362 11.665,1363 0.102,1364 0.036,1365 11.082,1366 4.089,1367 9.923,1368 0.066,1369 0.019,1370 9.365,1371 2.833,1372 0.254,1373 96.564,1374 0.201,1375 28.431,1376 0.474,1377 180,1378 680.252,1379 207.24,1380 598.431,1381 815.55,1382 560,1383 223,1384 610.504,1385 251.34,1386 597.92,1387 895.73,1388 565,1389 6.6}
{0 CHEMBL2000408,1 1.672,2 10.813,3 4.069,4 16.557,5 118.112,6 7.831,7 0.629,8 4.133,9 4.258,10 3.731,11 3.638,12 5.318,13 3.639,14 4.659,15 4.844,16 4.139,17 4.026,18 5.829,19 4.021,20 4.896,21 5.084,22 4.236,23 4.175,24 6.102,25 4.152,26 5.093,27 5.355,28 4.222,29 4.187,30 6.304,31 4.149,32 4.897,33 5.105,34 4.221,35 4.199,36 6.008,37 4.159,38 4.968,39 5.186,40 4.296,41 4.226,42 6.221,43 4.201,44 4.959,45 5.154,46 4.225,47 4.226,48 6.2,49 4.183,50 5.01,51 5.251,52 4.041,53 4.117,54 6.197,55 4.026,56 0.104,57 1.007,58 10.538,59 4.808,60 14.315,61 6.087,62 0.343,63 1.592,64 20.853,65 7.954,66 40.304,67 10.495,68 0.451,69 1.972,70 26.637,71 9.69,72 54.736,73 12.564,74 1.149,75 2.124,76 39.647,77 10.517,78 144.392,79 15.143,80 0.46,81 1.897,82 27.532,83 10.007,84 44.012,85 13.838,86 0.728,87 2.057,88 30.311,89 9.555,90 73.863,91 13.466,92 0.543,93 2.143,94 28.82,95 10.606,96 56.76,97 13.789,98 0.718,99 1.999,100 33.991,101 11.697,102 86.056,103 15.951,104 54,105 52,106 0.273,107 0.634,108 0.805,109 0.84,110 0.857,111 0.857,112 3.503,113 0.873,114 -4.5,115 -4.42,116 -4.17,119 41.1,120 4,123 1,125 2,142 4,143 1,144 2,145 1,146 4,150 1,151 1,152 1,161 1,172 4,174 2,175 5,178 2,180 2,183 4,187 3,188 6,193 4,196 1,199 1,200 7,204 1,205 1,208 2,212 1,213 9,216 1,221 2,224 2,225 7,228 3,230 1,233 7,238 4,243 1,246 5,249 1,250 7,253 1,255 5,258 3,264 2,267 1,272 3,276 1924,277 20.972,278 20.972,279 20.972,280 20.972,281 20.972,282 18.318,283 17.09,284 11.858,285 21.486,286 17.17,287 17.17,288 17.17,289 17.17,290 17.17,291 13.139,292 20.604,293 5.562,294 18.107,295 4.136,296 1.92,297 0.875,298 0.661,299 0.554,300 0.554,301 4.191,305 1,306 1,307 734,308 3.808,311 65.848,312 266.938,315 127.93,319 1.523,320 44.796,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 71,332 346,333 4.785,334 3.42,335 7.089,336 4.324,337 3.374,338 4.745,339 0.4,340 12.31,341 3.208,342 4.278,343 3.228,344 6.69,345 4.17,346 3.179,347 3.959,349 10.767,350 3.149,351 4.193,352 3.147,353 6.373,354 3.838,355 2.881,356 3.736,358 9.638,359 2.747,360 4.095,361 2.824,362 6.057,363 3.659,364 2.714,365 3.279,367 8.645,368 2.566,369 3.777,370 2.704,371 5.429,372 3.327,373 2.398,374 3.16,376 7.066,377 2.219,378 3.515,379 2.513,380 5.192,381 3.091,382 2.15,383 2.894,385 6.287,386 2.028,387 3.462,388 2.304,389 5.005,390 3.039,391 2.088,392 2.801,394 5.888,395 1.962,396 3.182,397 2.019,398 4.956,399 2.735,400 1.795,401 2.435,403 5.383,404 1.681,405 3.011,406 1.882,407 4.733,408 2.55,409 1.633,410 2.199,412 4.721,413 1.479,414 2.709,415 1.335,416 4.089,417 2.211,418 1.26,419 1.803,421 3.188,422 1.194,423 2.625,424 1.231,425 3.92,426 2.107,427 1.15,428 1.683,430 2.855,431 1.095,432 2.283,433 1.146,434 3.603,435 1.772,436 0.846,437 1.192,439 2.365,440 0.782,441 1.825,442 0.931,443 3.47,444 1.631,445 0.717,446 0.776,448 1.614,449 0.652,450 1.402,451 0.766,452 3.015,453 1.214,454 0.34,455 0.348,457 0.477,458 0.294,459 1.369,460 0.43,461 2.862,462 1.02,463 0.092,464 0.115,466 0.235,467 0.083,468 14.805,469 0.463,470 1.077,471 0.034,472 42,473 1.313,474 20.5,475 0.641,476 21.5,477 0.672,478 30.206,479 0.944,480 34.995,481 0.625,482 35.065,483 1.096,484 8.171,485 0.255,486 7.01,487 0.219,488 0.196,489 0.034,490 0.365,494 2,496 0.704,497 1.217,498 0.728,499 1.119,500 0.654,501 0.97,502 0.697,503 0.998,504 0.647,505 0.884,506 0.606,507 0.781,508 0.97,509 1.246,510 1.008,511 1.209,512 0.902,513 1.133,514 1.004,515 0.687,516 0.874,517 0.572,518 0.839,519 0.649,520 0.648,521 1.003,522 0.805,523 1.016,524 0.598,525 0.962,526 0.732,527 0.858,528 0.872,529 0.843,530 0.591,531 0.865,532 0.965,533 1.218,534 1.099,535 1.248,536 0.951,537 1.213,538 0.863,539 1.122,540 1.063,541 1.261,542 0.924,543 1.236,544 8.5,545 0.346,546 4,547 2.729,548 2.38,549 1.608,550 0.971,551 0.905,552 0.565,553 0.396,554 12182,555 36546,556 2.019,557 42.9,558 6,559 8,560 1,561 1,562 2,563 6,567 1.753,568 1.837,569 3.319,570 0.239,572 1,577 93.621,578 1.672,579 3.888,580 4.932,581 5.146,582 5.253,583 5.253,584 2.827,585 4.875,586 4.967,587 3.529,588 1750.48,589 8.738,590 24625,592 1,594 1,595 325.212,596 1.693,597 4.896,598 0.243,599 0.013,600 0.077,601 0.051,602 0.045,603 0.029,604 0.017,605 0.017,606 0.014,607 0.012,608 0.518,609 0.17,610 1,611 1.261,612 164.748,613 -0.065,614 -0.182,615 0.032,616 -0.057,617 -0.084,618 -0.003,619 0.034,620 -0.031,621 0.213,622 0.117,623 0.045,624 0.186,625 -0.084,626 -0.189,627 -0.12,628 -0.221,629 -0.065,630 -0.19,631 -0.002,632 0.187,633 0.148,634 0.332,635 0.071,636 0.296,637 0.03,638 -0.075,639 0.074,640 -0.021,641 -0.009,642 0.022,643 0.06,644 0.103,645 0.036,646 0.089,647 0.08,648 0.066,649 -0.055,650 -0.131,651 -0.2,652 -0.242,653 -0.058,654 -0.254,655 0.076,656 -0.133,657 -0.085,658 -0.264,659 0.028,660 -0.237,661 2.38,662 6.737,663 0.656,664 31.508,665 1.014,666 1.143,667 3.268,668 10.681,669 0.66,670 3.584,671 3.97,672 4.234,673 4.543,674 4.844,675 5.043,676 5.209,677 5.412,678 5.517,679 5.553,680 6.438,681 0.641,682 438.53,683 3.584,684 5.165,685 6.028,686 6.942,687 7.832,688 8.754,689 9.659,690 10.586,691 11.5,692 12.431,693 10.7,698 1,701 1,703 4,708 1,709 6,710 4,714 9,716 22,728 1,734 2,735 56,737 22,738 1,739 35,741 59,742 23,743 16,744 3,745 3,748 4,749 5,754 5,755 1,762 16,763 7,780 1,781 2,783 24,784 8,785 2,786 9,789 1,792 6,797 0.75,798 1,799 1,806 1,810 1,815 1,816 3,819 1,841 1,843 3,847 4,849 2,851 32,857 1,858 2,860 1,865 1,873 2,874 1.8,875 1,881 17.417,882 11.486,883 6.861,884 3.227,886 4.281,887 1.535,888 0.959,889 5.83,890 12.287,891 3.85,892 4.535,893 5.164,894 5.843,895 6.479,896 6.959,897 7.461,898 8,899 8.401,900 8.754,901 1,902 54,903 11.898,905 5.192,906 7.982,907 22.109,909 18.129,911 2.482,912 79.417,915 1,916 258.964,917 132.232,918 86.439,920 42.683,921 29.92,923 132.232,924 301.648,925 116.36,926 35.301,927 2.106,928 89.636,929 98.639,930 42.789,931 46.347,932 235.422,934 258.964,935 218.671,936 72.604,939 288.884,941 42.683,943 62.382,944 71.137,945 85.153,947 288.884,948 129.123,949 132.232,952 258.964,953 40.931,954 92.587,955 18.011,956 139.746,957 258.964,958 159.043,959 132.232,961 0.598,962 0.342,963 0.178,964 0.105,965 26,966 13,967 0.102,968 6,969 1,970 1.095,971 4.036,972 309.486,973 0.095,974 21,975 158,981 22.103,982 8.441,983 4.448,984 0.555,985 157.756,986 8.523,987 17.978,991 1.988,993 60.694,994 550.239,995 46,1007 56.8,1008 64.031,1009 0.288,1010 0.669,1011 0.849,1012 0.886,1013 0.905,1014 0.905,1015 5.121,1016 1.795,1017 6.075,1018 5.888,1019 4.654,1020 5.223,1021 0.278,1022 6.959,1023 4.55,1024 6.384,1025 1.633,1026 7.688,1027 5.383,1028 4.511,1029 5.231,1031 8.139,1032 4.382,1033 7.735,1034 1.26,1035 9.401,1036 4.721,1037 6.365,1038 7.527,1039 0.05,1040 11.183,1041 6.181,1042 9.12,1043 1.15,1044 11.173,1045 3.188,1046 6.976,1047 8.305,1049 13.138,1050 6.773,1051 10.532,1052 0.846,1053 12.983,1054 2.855,1055 8.38,1056 10.138,1057 0.008,1058 15.781,1059 8.132,1060 11.965,1061 0.717,1062 14.819,1063 2.365,1064 9.312,1065 11.296,1067 18.042,1068 9.041,1069 13.416,1070 0.34,1071 16.673,1072 1.614,1073 10.562,1074 12.945,1075 0.001,1076 20.565,1077 10.252,1078 3.374,1079 0.092,1080 18.543,1081 0.477,1082 11.634,1083 14.298,1085 22.953,1086 11.296,1087 3.179,1088 12.31,1089 20.424,1090 0.235,1091 12.833,1092 15.874,1094 25.442,1095 12.458,1096 2.881,1097 10.767,1098 22.314,1099 4.745,1100 13.967,1101 17.327,1103 27.885,1104 13.56,1105 2.714,1106 9.638,1107 24.212,1108 3.959,1109 15.152,1110 18.877,1112 30.369,1113 14.708,1114 2.398,1115 8.645,1116 26.117,1117 3.736,1118 16.315,1119 20.379,1121 32.838,1122 15.836,1123 2.15,1124 7.066,1125 28.027,1126 3.279,1127 17.499,1128 21.923,1130 35.325,1131 16.982,1132 2.088,1133 6.287,1134 29.942,1135 3.16,1136 18.677,1137 23.449,1139 37.808,1140 18.122,1141 11958,1142 20913,1143 22.482,1144 36.978,1145 53.597,1146 54.706,1147 56.043,1148 53.174,1149 53.233,1150 70.252,1151 0.8,1152 162.878,1153 50.28,1154 5.649,1155 5.42,1156 6.638,1157 5.398,1158 5.374,1159 7.745,1160 0.8,1161 19.912,1162 5.208,1163 19.919,1164 1.531,1165 1.563,1166 1.601,1167 1.519,1168 1.521,1169 2.007,1170 0.023,1171 4.654,1172 1.437,1173 4.167,1174 4.212,1175 4.151,1176 4.021,1177 8.211,1178 4.048,1179 3.869,1180 3.904,1181 3.837,1182 3.769,1183 8.191,1184 3.78,1185 3.843,1186 3.898,1187 3.78,1188 3.681,1189 6.456,1190 3.691,1191 3.72,1192 3.773,1193 3.614,1194 3.582,1195 5.114,1196 3.588,1197 3.396,1198 3.461,1199 3.325,1200 3.234,1201 4.936,1202 3.246,1203 3.258,1204 3.341,1205 3.085,1206 3.103,1207 4.556,1208 3.089,1209 3.117,1210 3.21,1211 2.961,1212 2.865,1213 4.341,1214 2.876,1215 2.981,1216 3.063,1217 2.893,1218 2.733,1219 4.26,1220 2.742,1221 0.137,1222 0.098,1223 0.203,1224 0.124,1225 0.096,1226 4.785,1227 0.136,1228 3.42,1229 0.011,1230 7.089,1231 0.352,1232 4.324,1233 0.092,1234 3.374,1235 4.745,1236 0.4,1237 12.31,1238 3.208,1239 1.929,1240 1.899,1241 2.011,1242 2.094,1243 1.286,1244 2.067,1245 1.876,1246 1.839,1247 1.986,1248 2.002,1249 1.128,1250 1.991,1251 1.793,1252 1.74,1253 1.957,1254 1.968,1255 1.051,1256 1.971,1257 1.697,1258 1.652,1259 1.813,1260 1.864,1261 0.836,1262 1.858,1263 1.35,1264 1.292,1265 1.64,1266 1.541,1267 0.722,1268 1.572,1269 1.233,1270 1.169,1271 1.439,1272 1.456,1273 0.564,1274 1.46,1275 1.061,1276 0.973,1277 1.417,1278 1.349,1279 0.479,1280 1.363,1281 1.045,1282 0.95,1283 1.382,1284 1.305,1285 0.469,1286 1.315,1287 4.263,1289 5.631,1290 2.398,1291 7.185,1292 4.844,1293 8.823,1294 7.081,1295 10.509,1297 7.525,1299 28.286,1302 9.495,1303 0.466,1305 3.139,1310 -0.356,1314 35.878,1315 93.621,1316 217.702,1317 276.192,1318 288.192,1319 294.192,1320 294.192,1321 76.217,1322 8.006,1323 88.23,1324 88.23,1325 23,1326 12.936,1327 4.524,1328 3.585,1329 51.419,1330 116,1331 148,1332 0.209,1333 219.705,1334 373.95,1335 527.841,1336 32172,1337 3.6,1338 23.043,1339 0.72,1340 0.572,1341 21.303,1342 18.318,1343 15.181,1344 0.434,1345 0.291,1346 10.005,1347 14.465,1348 9.622,1349 8.046,1350 14.376,1351 10.182,1352 14.767,1353 0.284,1354 0.164,1355 13.606,1356 8.536,1357 11.865,1358 0.174,1359 0.075,1360 11.072,1361 5.132,1362 9.806,1363 0.105,1364 0.037,1365 9.09,1366 3.408,1367 8.114,1368 0.064,1369 0.018,1370 7.743,1371 2.32,1372 0.318,1373 96.194,1374 0.211,1375 29.219,1376 0.604,1377 174,1378 610.93,1379 195.673,1380 542.73,1381 732.56,1382 506,1383 207,1384 538.661,1385 229.357,1386 536.371,1387 789.86,1388 502,1389 5.1}
{0 CHEMBL2000429,1 1.711,2 11.029,3 4.753,4 22.589,5 124.872,6 7.809,7 0.595,8 4.203,9 4.324,10 3.797,11 3.681,12 5.386,13 3.689,14 4.735,15 4.915,16 4.196,17 4.06,18 5.912,19 4.062,20 4.983,21 5.173,22 4.284,23 4.205,24 6.171,25 4.186,26 5.131,27 5.388,28 4.297,29 4.204,30 6.347,31 4.179,32 4.947,33 5.154,34 4.321,35 4.221,36 6.092,37 4.213,38 5.031,39 5.227,40 4.39,41 4.296,42 6.311,43 4.286,44 5.068,45 5.265,46 4.314,47 4.288,48 6.297,49 4.246,50 5.031,51 5.254,52 4.182,53 4.177,54 6.223,55 4.118,56 0.132,57 1.047,58 11.47,59 5.181,60 16.023,61 6.534,62 0.459,63 1.63,64 22.892,65 8.508,66 47.016,67 11.101,68 0.7,69 1.994,70 30.728,71 10.757,72 65.185,73 13.873,74 1.187,75 2.149,76 41.289,77 10.945,78 149.211,79 15.965,80 0.613,81 1.977,82 29.376,83 9.254,84 52.695,85 13.093,86 0.856,87 2.18,88 31.247,89 9.533,90 73.628,91 13.223,92 0.765,93 2.205,94 33.402,95 12.13,96 71.378,97 15.963,98 0.863,99 2.017,100 34.152,101 11.461,102 86.5,103 15.608,104 60,105 54,106 0.276,107 0.626,108 0.782,109 0.847,110 0.847,111 0.847,112 3.561,113 0.88,114 -4.77,115 -4.68,116 -4.4,119 40,120 4,123 1,125 2,127 1,142 4,143 1,144 2,145 2,146 2,147 1,150 1,151 1,152 1,161 1,172 4,174 3,175 5,178 2,180 2,183 5,187 5,188 3,193 4,196 1,199 1,200 9,204 1,205 1,208 1,212 1,213 13,216 1,221 1,224 3,225 7,228 3,230 1,233 3,238 6,243 1,246 4,249 2,250 7,253 2,255 3,258 5,264 2,267 1,272 7,276 2306,277 22.386,278 22.386,279 22.386,280 22.386,281 22.386,282 19.81,283 18.709,284 12.851,285 23.053,286 18.18,287 18.18,288 18.18,289 18.18,290 18.18,291 14.254,292 24.331,293 6.028,294 19.361,295 4.196,296 2.019,297 1.05,298 0.65,299 0.65,300 0.65,301 4.25,305 1,306 1,307 790,308 4.243,311 70.63,312 287.263,315 138.324,319 1.621,320 49.385,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 76,332 375,333 4.779,334 3.43,335 7.09,336 4.318,337 3.37,338 4.731,339 0.86,340 12.316,341 3.198,342 4.269,343 3.228,344 6.69,345 4.169,346 3.179,347 3.947,348 0.4,349 10.767,350 3.149,351 4.193,352 3.173,353 6.39,354 3.825,355 2.878,356 3.731,358 9.727,359 2.718,360 4.094,361 2.951,362 6.095,363 3.659,364 2.726,365 3.253,367 8.795,368 2.537,369 3.772,370 2.704,371 5.458,372 3.341,373 2.43,374 3.153,376 7.175,377 2.21,378 3.509,379 2.614,380 5.209,381 3.103,382 2.176,383 2.854,385 6.267,386 2.002,387 3.284,388 2.308,389 5.07,390 3.013,391 2.081,392 2.496,394 5.904,395 1.927,396 3.117,397 2.047,398 4.748,399 2.67,400 1.74,401 2.378,403 4.82,404 1.61,405 2.996,406 1.831,407 4.581,408 2.603,409 1.681,410 2.084,412 4.647,413 1.537,414 2.884,415 1.491,416 4.139,417 2.373,418 1.434,419 2.024,421 3.562,422 1.339,423 2.704,424 1.335,425 4.039,426 2.205,427 1.258,428 1.793,430 3.166,431 1.187,432 2.585,433 1.165,434 3.64,435 2.055,436 1.1,437 1.626,439 2.65,440 1.045,441 2.177,442 1.132,443 3.543,444 1.674,445 0.76,446 1.048,448 2.036,449 0.692,450 1.825,451 0.856,452 3.456,453 1.625,454 0.709,455 0.775,457 1.609,458 0.646,459 1.375,460 0.763,461 2.917,462 1.214,463 0.34,464 0.348,466 0.477,467 0.294,468 15.638,469 0.46,470 1.077,471 0.032,472 44,473 1.294,474 21,475 0.618,476 23,477 0.676,478 32.664,479 0.961,480 37.762,481 0.629,482 37.961,483 1.117,484 8.458,485 0.249,486 7.723,487 0.227,488 0.186,489 0.032,490 0.345,494 2,496 0.739,497 1.261,498 0.73,499 1.18,500 0.667,501 1.001,502 0.772,503 0.998,504 0.696,505 0.932,506 0.626,507 0.824,508 1.029,509 1.171,510 0.978,511 1.129,512 0.899,513 1.066,514 0.948,515 0.78,516 0.775,517 0.631,518 0.847,519 0.639,520 0.802,521 0.988,522 0.805,523 0.862,524 0.665,525 0.82,526 0.846,527 0.878,528 1.007,529 0.895,530 0.645,531 0.945,532 0.877,533 1.201,534 1.009,535 1.262,536 0.855,537 1.193,538 0.836,539 1.017,540 0.984,541 1.122,542 0.839,543 1.109,544 8.5,545 0.396,546 4,547 2.667,548 2.389,549 1.591,550 1.065,551 0.883,552 0.656,553 0.48,554 14272,555 43034,556 2.018,557 43.3,558 6,559 9,560 1,561 2,562 2,564 6,567 1.769,568 1.846,569 3.39,570 0.235,577 102.653,578 1.711,579 3.888,580 4.857,581 5.257,582 5.257,583 5.257,584 2.882,585 4.771,586 5.053,587 3.598,588 2018.48,589 8.917,590 29837.1,595 354.413,596 1.667,597 4.989,598 0.23,599 0.012,600 0.074,601 0.048,602 0.042,603 0.026,604 0.017,605 0.016,606 0.014,607 0.011,608 0.489,609 0.17,610 0.88,611 1.399,612 178.773,613 -0.067,614 -0.205,615 0.037,616 -0.091,617 -0.085,618 -0.018,619 0.031,620 -0.023,621 0.178,622 0.079,623 0.046,624 0.144,625 -0.052,626 -0.15,627 -0.055,628 -0.127,629 -0.05,630 -0.107,631 0.03,632 0.099,633 0.244,634 0.283,635 0.088,636 0.317,637 -0.051,638 -0.016,639 0.086,640 0.094,641 -0.038,642 0.125,643 -0.013,644 0.149,645 -0.121,646 0.031,647 0.033,648 -0.044,649 0.042,650 -0.151,651 -0.092,652 -0.233,653 0.017,654 -0.207,655 0.09,656 -0.032,657 -0.028,658 -0.13,659 0.041,660 -0.125,661 2.416,662 6.836,663 0.618,664 36.225,665 1.017,666 1.144,667 3.54,668 12.528,669 0.653,670 3.638,671 4.007,672 4.263,673 4.575,674 4.875,675 5.069,676 5.273,677 5.485,678 5.595,679 5.663,680 6.751,681 0.635,682 468.56,683 3.638,684 5.209,685 6.066,686 6.974,687 7.861,688 8.778,689 9.681,690 10.605,691 11.517,692 12.445,693 10,698 1,701 1,703 4,708 1,709 7,710 4,714 8,716 22,728 1,733 1,734 2,735 60,737 22,738 1,739 37,741 63,742 24,743 16,744 3,745 3,748 4,749 5,754 5,755 1,760 1,762 16,763 8,781 2,783 26,784 9,785 2,786 10,789 1,792 6,797 0.75,798 2,799 1,806 1,810 1,815 1,816 3,819 1,841 1,843 3,847 4,849 2,851 34,857 1,858 2,860 1,861 1,863 1,865 1,873 2,874 3.3,875 1,879 1,881 18.417,882 12.069,883 7.361,884 3.535,886 4.221,887 1.519,888 0.946,889 6.785,890 12.347,891 3.892,892 4.546,893 5.167,894 5.844,895 6.476,896 6.947,897 7.475,898 8.01,899 8.409,900 8.789,901 1,902 56,903 12.65,905 5.494,906 7.988,907 23.442,909 19.048,911 2.488,912 84.583,916 282.506,917 140.581,918 86.439,920 53.683,921 29.92,923 140.581,924 336.19,925 116.36,926 35.301,927 2.106,928 89.636,929 110.41,930 57.322,931 51.162,932 247.193,934 282.506,935 227.02,936 83.603,939 241.8,940 81.626,941 42.683,943 65.916,944 75.951,945 85.153,947 312.427,948 140.123,949 140.581,952 282.506,953 40.233,954 101.635,955 18.011,956 150.746,957 282.506,958 170.043,959 140.581,961 0.591,962 0.331,963 0.176,964 0.105,965 26,966 13,967 0.127,968 8,969 1,970 1.095,971 4.192,972 333.786,973 0.095,974 21,975 168.974,981 23.997,982 9.613,983 5.19,984 0.375,985 168.756,986 9.839,987 17.776,991 0.509,993 60.694,994 593.13,995 48,1007 61.01,1008 68.655,1009 0.29,1010 0.658,1011 0.822,1012 0.89,1013 0.89,1014 0.89,1015 5.156,1016 1.74,1017 6.103,1018 5.904,1019 4.691,1020 5.234,1021 1.029,1022 6.976,1023 4.57,1024 6.402,1025 1.681,1026 7.706,1027 4.82,1028 4.511,1029 5.19,1031 8.15,1032 4.361,1033 7.742,1034 1.434,1035 9.413,1036 4.647,1037 6.385,1038 7.51,1039 0.763,1040 11.194,1041 6.172,1042 9.117,1043 1.258,1044 11.182,1045 3.562,1046 6.976,1047 8.266,1049 13.155,1050 6.745,1051 10.523,1052 1.1,1053 12.99,1054 3.166,1055 8.39,1056 10.112,1057 0.597,1058 15.794,1059 8.109,1060 11.952,1061 0.76,1062 14.825,1063 2.65,1064 9.312,1065 11.261,1067 18.059,1068 9.011,1069 13.4,1070 0.709,1071 16.68,1072 2.036,1073 10.566,1074 12.915,1075 0.47,1076 20.579,1077 10.224,1078 3.37,1079 0.34,1080 18.551,1081 1.609,1082 11.633,1083 14.265,1085 22.968,1086 11.265,1087 3.179,1088 12.316,1089 20.433,1090 0.477,1091 12.832,1092 15.841,1093 0.367,1094 25.455,1095 12.427,1096 2.878,1097 10.767,1098 22.324,1099 4.731,1100 13.963,1101 17.291,1103 27.898,1104 13.527,1105 2.726,1106 9.727,1107 24.222,1108 3.947,1109 15.147,1110 18.84,1111 0.283,1112 30.381,1113 14.675,1114 2.43,1115 8.795,1116 26.127,1117 3.731,1118 16.308,1119 20.339,1121 32.85,1122 15.802,1123 2.176,1124 7.175,1125 28.038,1126 3.253,1127 17.491,1128 21.881,1129 0.217,1130 35.336,1131 16.948,1132 2.081,1133 6.267,1134 29.953,1135 3.153,1136 18.667,1137 23.404,1139 37.819,1140 18.087,1141 14074,1142 24666,1143 23.868,1144 39.194,1145 56.352,1146 57.481,1147 58.565,1148 55.831,1149 55.872,1150 72.669,1151 2.52,1152 168.217,1153 52.319,1154 5.642,1155 5.43,1156 6.639,1157 5.392,1158 5.37,1159 7.731,1160 1.72,1161 19.94,1162 5.198,1163 20.985,1164 1.523,1165 1.554,1166 1.583,1167 1.509,1168 1.51,1169 1.964,1170 0.068,1171 4.546,1172 1.414,1173 4.159,1174 4.202,1175 4.145,1176 4.008,1177 8.211,1178 4.036,1179 3.865,1180 3.902,1181 3.833,1182 3.757,1183 8.191,1184 3.771,1185 3.839,1186 3.89,1187 3.776,1188 3.675,1189 6.456,1190 3.684,1191 3.72,1192 3.771,1193 3.614,1194 3.569,1195 5.148,1196 3.581,1197 3.595,1198 3.659,1199 3.443,1200 3.416,1201 4.958,1202 3.409,1203 3.269,1204 3.326,1205 3.213,1206 3.106,1207 4.613,1208 3.126,1209 3.117,1210 3.206,1211 2.974,1212 2.87,1213 4.443,1214 2.883,1215 2.981,1216 3.063,1217 2.867,1218 2.733,1219 4.301,1220 2.741,1221 0.129,1222 0.093,1223 0.192,1224 0.117,1225 0.091,1226 4.779,1227 0.128,1228 3.43,1229 0.023,1230 7.09,1231 0.333,1232 4.318,1233 0.086,1234 3.37,1235 4.731,1236 0.86,1237 12.316,1238 3.198,1239 1.92,1240 1.894,1241 2.007,1242 2.081,1243 1.286,1244 2.049,1245 1.849,1246 1.81,1247 1.974,1248 1.997,1249 1.108,1250 1.98,1251 1.786,1252 1.733,1253 1.928,1254 1.968,1255 1.061,1256 1.971,1257 1.688,1258 1.643,1259 1.865,1260 1.866,1261 0.97,1262 1.862,1263 1.572,1264 1.505,1265 1.768,1266 1.783,1267 0.77,1268 1.801,1269 1.269,1270 1.229,1271 1.417,1272 1.459,1273 0.549,1274 1.439,1275 1.069,1276 0.977,1277 1.417,1278 1.349,1279 0.469,1280 1.346,1281 0.934,1282 0.836,1283 1.416,1284 1.299,1285 0.469,1286 1.315,1287 4.317,1289 5.673,1290 2.398,1291 7.215,1292 4.844,1293 8.843,1294 7.081,1295 10.52,1297 7.553,1299 28.456,1302 9.519,1303 0.433,1305 3.129,1306 5.812,1308 -0.158,1310 -0.375,1314 38.119,1315 102.653,1316 233.275,1317 291.394,1318 315.394,1319 315.394,1320 315.394,1321 85.519,1322 8.126,1323 97.46,1324 97.46,1325 23,1326 12.952,1327 4.524,1328 3.585,1329 56.356,1330 129,1331 164,1332 0.205,1333 233.294,1334 400.04,1335 560.997,1336 36956,1337 3.3,1338 24.457,1339 0.719,1340 0.57,1341 22.717,1342 19.38,1343 16.181,1344 0.437,1345 0.293,1346 10.648,1347 15.33,1348 10.288,1349 8.597,1350 15.376,1351 10.856,1352 15.534,1353 0.288,1354 0.166,1355 14.372,1356 8.967,1357 12.177,1358 0.174,1359 0.073,1360 11.385,1361 5.095,1362 10.126,1363 0.105,1364 0.035,1365 9.41,1366 3.325,1367 8.551,1368 0.066,1369 0.018,1370 8.18,1371 2.312,1372 0.314,1373 103.056,1374 0.205,1375 30.771,1376 0.593,1377 182,1378 660.666,1379 207.658,1380 582.568,1381 785.11,1382 544,1383 215,1384 576.672,1385 240.955,1386 569.543,1387 841.2,1388 534,1389 5.1}
{0 CHEMBL2000433,1 1.449,2 7.05,3 2.987,4 8.925,5 78.755,6 7.581,7 0.682,8 3.665,9 3.802,10 3.257,11 3.211,12 4.823,13 3.197,14 4.159,15 4.349,16 3.607,17 3.58,18 5.193,19 3.55,20 4.361,21 4.58,22 3.708,23 3.692,24 5.414,25 3.658,26 4.401,27 4.623,28 3.707,29 3.693,30 5.541,31 3.651,32 4.345,33 4.574,34 3.528,35 3.614,36 5.47,37 3.557,38 4.299,39 4.528,40 3.347,41 3.586,42 5.345,43 3.476,44 4.266,45 4.527,46 3.004,47 3.442,48 5.29,49 3.267,50 4.108,51 4.422,52 2.278,53 3.112,54 4.924,55 2.839,56 0.049,57 0.57,58 6.842,59 2.748,60 8.554,61 3.753,62 0.117,63 0.884,64 12.555,65 4.565,66 10.33,67 6.483,68 0.163,69 1.046,70 16.312,71 5.185,72 16.994,73 7.62,74 0.203,75 1.084,76 17.034,77 5.438,78 26.33,79 7.981,80 0.23,81 1.009,82 16.29,83 4.621,84 28.728,85 6.829,86 0.146,87 0.918,88 15.456,89 5.609,90 21.56,91 8.059,92 0.14,93 0.819,94 15.804,95 5.853,96 31.138,97 8.521,98 0.125,99 0.615,100 14.838,101 5.327,102 28.32,103 7.974,104 16,105 31,106 0.262,107 0.672,108 0.796,109 0.856,110 0.867,111 0.867,112 3.06,113 0.894,114 -3.66,115 -3.63,116 -3.46,119 42.9,120 2,125 1,142 5,143 2,146 1,152 1,153 1,158 1,161 1,169 1,172 6,174 1,175 6,178 1,180 2,183 5,188 7,191 1,193 3,196 1,199 2,200 7,203 1,205 4,208 3,213 1,216 1,218 5,221 7,225 2,228 1,230 3,233 6,238 3,241 1,243 1,246 5,258 2,264 1,272 1,276 462,277 13.861,278 13.861,279 13.861,280 13.861,281 13.861,282 12.042,283 10.205,284 8.282,285 14.122,286 10.78,287 10.78,288 10.78,289 10.78,290 10.78,291 7.887,292 7.376,293 3.778,294 11.193,295 3.68,296 1.406,297 0.718,298 0.386,299 0.329,300 0.329,301 3.739,304 1,305 1,306 1,307 299,308 2.739,311 25.863,312 77.078,315 108.293,319 0.965,320 12.493,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 42.5,332 141,333 4.833,334 4.087,335 7.063,336 4.307,337 3.361,338 4.932,339 2.035,340 12.208,341 3.183,342 4.182,343 3.345,344 6.234,345 3.703,346 2.716,347 3.867,349 9.128,350 2.679,351 3.773,352 2.756,353 5.718,354 3.312,355 2.364,356 3.208,358 7.603,359 2.238,360 3.369,361 2.462,362 5.205,363 2.897,364 1.926,365 2.745,367 5.936,368 1.866,369 3.245,370 2.021,371 4.592,372 2.546,373 1.59,374 2.245,376 4.436,377 1.517,378 2.97,379 1.707,380 3.83,381 2.416,382 1.437,383 1.977,385 3.049,386 1.405,387 2.828,388 1.49,389 3.597,390 2.271,391 1.296,392 1.619,394 2.73,395 1.261,396 2.464,397 1.361,398 3.454,399 1.895,400 0.944,401 1.378,403 1.934,404 0.895,405 1.952,406 0.964,407 3.22,408 1.477,409 0.521,410 0.712,412 1.251,413 0.497,414 1.651,415 0.551,416 2.651,417 1.163,418 0.185,419 0.23,421 0.301,422 0.18,423 1.175,424 0.206,425 2.537,426 0.761,427 -0.193,428 -0.305,430 -0.319,431 -0.184,432 0.879,433 -0.383,434 2.258,435 0.407,436 -0.562,437 -0.719,439 -1.352,440 -0.544,441 0.642,442 -0.618,443 2.189,444 0.168,445 -0.81,446 -1.094,448 -1.827,449 -0.786,450 0.423,451 -0.853,452 2,453 0.072,454 -0.892,455 -1.259,457 -2.135,458 -0.86,459 0.166,460 -0.933,461 1.633,462 -0.256,463 -1.214,464 -1.529,466 -2.879,467 -1.16,468 9.5,469 0.475,470 0.414,471 0.021,472 28.5,473 1.425,474 15.5,475 0.775,476 13,477 0.65,478 13.819,479 0.691,480 20.5,481 0.586,482 18.433,483 0.922,484 5.507,485 0.275,486 4.251,487 0.213,488 0.147,490 0.358,496 0.885,497 1.215,498 0.777,499 0.989,500 0.537,501 0.89,502 0.868,503 1.104,504 0.751,505 0.909,506 0.459,507 0.831,508 1.194,509 1.08,510 0.813,511 0.813,512 0.613,513 0.77,514 1.085,515 1.115,516 0.886,517 0.938,518 0.774,519 0.894,520 1.682,521 0.979,522 1.217,523 0.887,524 1.614,525 0.97,526 1.004,527 1.047,528 1.182,529 1.176,530 0.744,531 1.199,532 0.813,533 1.035,534 1.251,535 1.305,536 1.316,537 1.333,538 0.711,539 0.887,540 1.217,541 1.232,542 1.256,543 1.283,544 3,546 2.222,547 1.979,548 1.498,549 0.823,550 0.42,551 0.225,552 0.057,553 0.016,554 3168,555 8177,556 2.077,557 42.9,558 3,559 7,562 2,564 3,567 1.628,568 1.935,569 2.807,570 0.361,572 1,574 1,577 50.709,578 1.449,579 3.723,580 4.412,581 4.743,582 4.8,583 4.8,584 2.228,585 4.122,586 4.287,587 2.914,588 553.744,589 7.381,590 5469.68,591 1,592 1,593 1,594 1,595 179.525,596 1.441,597 4.248,598 0.136,600 0.072,601 0.058,602 0.045,603 0.03,604 0.019,605 0.016,606 0.011,607 0.008,608 0.397,609 0.67,610 1,611 1.391,612 85.631,613 0.049,614 -0.053,615 0.05,616 -0.009,617 0.028,618 0.015,619 0.126,620 -0.024,621 0.152,622 0.059,623 0.031,624 0.1,625 -0.061,626 -0.025,627 0.138,628 0.124,629 0.034,630 0.153,631 0.084,632 -0.062,633 0.071,634 -0.012,635 0.15,636 0.02,637 -0.367,638 0.107,639 -0.256,640 0.002,641 -0.251,642 -0.091,643 -0.119,644 -0.06,645 -0.248,646 -0.191,647 0.039,648 -0.229,649 -0.041,650 -0.137,651 -0.282,652 -0.296,653 -0.077,654 -0.318,655 -0.033,656 -0.107,657 -0.18,658 -0.198,659 -0.181,660 -0.207,661 1.053,662 3.369,663 0.65,664 14.01,665 0.998,666 1.131,667 2.433,668 5.918,669 0.681,670 3.135,671 3.466,672 3.829,673 4.19,674 4.466,675 4.635,676 4.745,677 4.796,678 4.663,679 4.522,680 4.362,681 0.65,682 265.35,683 3.135,684 4.673,685 5.557,686 6.469,687 7.385,688 8.313,689 9.239,690 10.173,691 11.104,692 12.04,693 14.3,695 1,698 1,701 1,702 1,703 1,708 3,709 5,710 1,714 3,716 15,718 1,735 35,737 16,738 1,739 22,741 37,742 15,743 11,744 2,745 4,748 3,749 6,754 2,761 1,762 11,763 3,779 1,780 1,783 15,784 4,785 2,786 5,789 1,792 5,795 1,797 0.333,809 1,815 1,816 2,819 2,843 1,847 2,851 20,858 1,860 2,866 1,870 1,872 1,881 10.333,882 7.017,883 4.583,884 2.217,886 3.438,887 1.497,888 1.013,889 3.211,890 10.355,891 3.481,892 4.147,893 4.911,894 5.676,895 6.324,896 6.854,897 7.355,898 7.794,899 8.005,900 8.265,901 0.8,902 34,903 7.325,905 3.059,906 7.7,907 14.004,909 11.308,911 2.2,912 44,913 0.001,916 153.024,917 98.442,918 84.908,923 98.442,924 153.024,925 84.908,926 17.65,927 2.106,928 65.269,929 52.991,930 43.189,931 2.144,932 153.024,934 153.024,935 183.35,939 117.711,940 35.313,943 76.178,944 72.498,945 34.674,947 153.024,948 84.908,949 98.442,952 153.024,953 16.808,954 66.318,955 52.378,956 47.845,957 153.024,958 84.908,959 98.442,961 0.566,962 0.353,963 0.215,964 0.127,965 16,966 7,967 0.081,968 3,969 2,970 1.308,971 3.115,972 159.177,973 0.308,974 13,975 86.439,981 12.77,982 5.029,983 2.003,984 2.558,985 83.621,986 9.839,987 4.588,991 2.408,993 35.776,994 336.374,995 31.5,1007 34.927,1008 39.568,1009 0.282,1010 0.726,1011 0.86,1012 0.925,1013 0.936,1014 0.936,1015 4.716,1016 0.944,1017 5.549,1018 2.73,1019 4.143,1020 4.832,1021 2.228,1022 6.441,1023 4.066,1024 5.968,1025 0.521,1026 7.151,1027 1.934,1028 3.761,1029 4.808,1031 7.509,1032 3.635,1033 7.313,1034 0.185,1035 8.861,1036 1.251,1037 5.79,1038 7.241,1039 3.563,1040 10.696,1041 5.626,1042 8.703,1043 -0.193,1044 10.637,1045 0.301,1046 6.293,1047 8.124,1049 12.625,1050 6.067,1051 10.131,1052 -0.562,1053 12.453,1054 -0.319,1055 7.782,1056 10.013,1057 4.962,1058 15.337,1059 7.519,1060 11.588,1061 -0.81,1062 14.298,1063 -1.352,1064 8.687,1065 11.301,1067 17.608,1068 8.357,1069 13.067,1070 -0.892,1071 16.164,1072 -1.827,1073 9.979,1074 12.992,1075 6.378,1076 20.172,1077 9.606,1078 3.361,1079 -1.214,1080 18.044,1081 -2.135,1082 11.058,1083 14.457,1085 22.58,1086 10.619,1087 2.716,1088 12.208,1089 19.936,1090 -2.879,1091 12.283,1092 16.078,1093 7.797,1094 25.097,1095 11.795,1096 2.364,1097 9.128,1098 21.838,1099 4.932,1100 13.435,1101 17.617,1103 27.56,1104 12.884,1105 1.926,1106 7.603,1107 23.748,1108 3.867,1109 14.643,1110 19.215,1111 9.217,1112 30.063,1113 14.037,1114 1.59,1115 5.936,1116 25.664,1117 3.208,1118 15.826,1119 20.785,1121 32.548,1122 15.16,1123 1.437,1124 4.436,1125 27.586,1126 2.745,1127 17.03,1128 22.378,1129 10.638,1130 35.049,1131 16.308,1132 1.296,1133 3.049,1134 29.512,1135 2.245,1136 18.227,1137 23.962,1139 37.543,1140 17.445,1141 3208,1142 5261,1143 14.622,1144 23.836,1145 33.899,1146 35.825,1147 35.098,1148 32.702,1149 32.683,1150 45.825,1151 4.069,1152 97.153,1153 31.443,1154 5.627,1155 6.087,1156 6.924,1157 5.359,1158 5.361,1159 7.932,1160 4.069,1161 19.78,1162 5.183,1163 9.336,1164 1.541,1165 1.628,1166 1.595,1167 1.486,1168 1.486,1169 2.083,1170 0.185,1171 4.416,1172 1.429,1173 4.217,1174 4.258,1175 4.2,1176 4.09,1177 6.82,1178 4.112,1179 3.75,1180 3.788,1181 3.688,1182 3.683,1183 5.091,1184 3.68,1185 3.558,1186 3.652,1187 3.407,1188 3.328,1189 4.574,1190 3.327,1191 3.272,1192 3.347,1193 3.184,1194 3.097,1195 4.358,1196 3.106,1197 3.216,1198 3.283,1199 3.113,1200 3.05,1201 4.141,1202 3.067,1203 3.002,1204 3.093,1205 2.875,1206 2.797,1207 3.918,1208 2.804,1209 2.876,1210 2.959,1211 2.717,1212 2.695,1213 3.714,1214 2.688,1215 2.69,1216 2.805,1217 2.424,1218 2.38,1219 3.432,1220 2.381,1221 0.22,1222 0.186,1223 0.321,1224 0.196,1225 0.153,1226 4.833,1227 0.224,1228 4.087,1229 0.092,1230 7.063,1231 0.555,1232 4.307,1233 0.145,1234 3.361,1235 4.932,1236 2.035,1237 12.208,1238 3.183,1239 1.985,1240 1.952,1241 2.054,1242 2.122,1243 1.214,1244 2.101,1245 1.858,1246 1.83,1247 1.953,1248 1.956,1249 1.046,1250 1.958,1251 1.528,1252 1.436,1253 1.834,1254 1.79,1255 0.981,1256 1.806,1257 1.235,1258 1.156,1259 1.516,1260 1.478,1261 0.597,1262 1.5,1263 1.161,1264 1.108,1265 1.292,1266 1.378,1267 0.281,1268 1.364,1269 0.941,1270 0.88,1271 1.151,1272 1.182,1273 0.192,1274 1.163,1275 0.855,1276 0.777,1277 1.12,1278 1.116,1279 0.19,1280 1.123,1281 0.7,1282 0.59,1283 1.009,1284 0.965,1285 0.077,1286 0.993,1287 3.807,1289 5.13,1290 2.398,1291 6.678,1292 4.844,1293 8.341,1294 7.081,1295 10.067,1297 3.946,1303 0.799,1305 6.266,1312 9.369,1313 2.251,1314 22.741,1315 50.709,1316 130.306,1317 154.405,1318 166.015,1319 168.015,1320 168.015,1321 24.502,1322 6.917,1323 65.15,1324 65.15,1325 17,1326 12.539,1327 4.087,1328 3.392,1329 29.592,1330 51,1331 64,1332 0.301,1333 143.028,1334 232.16,1335 340.748,1336 7674,1338 14.113,1339 0.706,1340 0.572,1341 14.113,1342 11.435,1343 9.758,1344 0.444,1345 0.298,1346 6.475,1347 9.421,1348 6.271,1349 5.271,1350 9.758,1351 6.557,1352 8.373,1353 0.27,1354 0.149,1355 8.373,1356 4.614,1357 7.431,1358 0.165,1359 0.073,1360 7.431,1361 3.278,1362 6.733,1363 0.104,1364 0.036,1365 6.733,1366 2.365,1367 5.527,1368 0.064,1369 0.019,1370 5.527,1371 1.629,1372 0.439,1373 60.761,1374 0.262,1375 19.199,1376 0.932,1377 106,1378 285.601,1379 115.048,1380 288.007,1381 407.2,1382 270,1383 129,1384 317.474,1385 139.297,1386 323.109,1387 475.8,1388 305,1389 5.1}
{0 CHEMBL2000481,1 1.757,2 14.03,3 1.56,4 2.432,5 123.931,6 8.584,7 0.5,8 4.106,9 4.209,10 3.907,11 3.701,12 5.292,13 3.678,14 4.599,15 4.726,16 4.201,17 4.08,18 5.988,19 4.041,20 4.869,21 5.041,22 4.292,23 4.215,24 6.148,25 4.16,26 4.913,27 5.09,28 4.251,29 4.155,30 6.226,31 4.116,32 4.856,33 5.028,34 4.181,35 4.102,36 6.227,37 4.064,38 4.808,39 4.992,40 3.995,41 4.049,42 6.227,43 3.971,44 4.712,45 4.935,46 3.827,47 3.94,48 5.823,49 3.83,50 4.585,51 4.806,52 3.787,53 3.767,54 5.79,55 3.681,56 0.175,57 0.848,58 11.359,59 4.869,60 25.511,61 5.221,62 0.456,63 1.292,64 17.537,65 8.082,66 63.293,67 9.303,68 0.497,69 1.607,70 29.861,71 11.449,72 70.867,73 12.992,74 0.669,75 1.615,76 31.702,77 10.789,78 102.383,79 11.736,80 0.702,81 1.506,82 30.035,83 10.224,84 116.955,85 11.306,86 0.839,87 1.396,88 25.887,89 10.074,90 133.74,91 12.045,92 0.434,93 1.284,94 24.66,95 9.736,96 65.187,97 12.378,98 0.445,99 1.138,100 24.473,101 8.441,102 64.18,103 10.261,104 30,105 51,106 0.286,107 0.569,108 0.709,109 0.838,110 0.882,111 0.888,112 3.531,113 0.964,114 -3.32,115 -3.3,116 -3.16,119 42.6,125 2,142 12,143 4,144 2,157 1,158 2,163 1,164 1,165 1,168 1,172 14,174 1,175 4,178 4,180 4,183 15,187 1,188 12,192 1,193 9,195 1,196 11,200 13,205 8,208 10,213 8,215 2,216 2,218 5,221 15,224 2,225 3,228 4,229 1,230 3,233 13,235 2,238 2,242 1,243 4,246 8,248 2,249 1,250 6,255 5,258 4,260 1,264 8,266 1,267 3,268 1,269 4,271 1,272 5,276 1875,277 22.17,278 22.17,279 22.17,280 22.17,281 22.17,282 19.367,283 17.323,284 13.079,285 22.438,286 17.715,287 17.715,288 17.715,289 17.715,290 17.715,291 13.305,292 16.035,293 6.108,294 18.129,295 3.998,296 2.253,297 1.396,298 0.599,299 0.333,300 0.296,301 4.225,305 1,306 1,307 996,308 4.123,312 419.954,316 162.923,319 2.213,320 48.04,323 1,324 0.67,325 1,326 0.6,328 0.83,329 0.5,330 0.66,331 72.5,332 463,333 4.849,334 4.684,335 7.297,336 4.302,337 3.382,338 4.703,339 1.058,340 12.431,341 3.166,342 4.539,343 3.621,344 6.786,345 4.181,346 3.187,347 4.165,348 0.98,349 11.148,350 3.086,351 4.172,352 3.568,353 6.064,354 3.814,355 2.819,356 3.713,358 8.751,359 2.796,360 4.033,361 3.088,362 6.016,363 3.637,364 2.634,365 3.6,367 8.482,368 2.636,369 3.699,370 2.559,371 5.348,372 3.301,373 2.317,374 3.068,376 6.905,377 2.274,378 3.381,379 2.279,380 5.04,381 2.967,382 1.963,383 2.638,385 5.593,386 1.962,387 3.308,388 2.189,389 4.874,390 2.829,391 1.831,392 2.584,394 5.127,395 1.821,396 3.015,397 1.815,398 4.377,399 2.545,400 1.563,401 2.191,403 4.146,404 1.534,405 2.725,406 1.73,407 4.031,408 2.404,409 1.442,410 1.774,412 3.178,413 1.381,414 2.697,415 1.42,416 3.612,417 2.263,418 1.274,419 1.739,421 2.845,422 1.258,423 2.542,424 1.341,425 3.595,426 2.148,427 1.152,428 1.51,430 2.575,431 1.142,432 2.5,433 1.268,434 3.527,435 2.04,436 1.033,437 1.5,439 2.428,440 1.036,441 2.494,442 1.154,443 3.437,444 2,445 1,446 1.449,448 2.297,449 1,450 2.469,451 1,452 3.414,453 1.926,454 0.922,455 1.404,457 2.275,458 0.921,459 1.487,460 0.736,461 2.89,462 1.179,463 0.222,464 0.234,466 0.357,467 0.203,468 15.667,469 0.475,470 0.872,471 0.026,472 46.5,473 1.409,474 26,475 0.788,476 20.5,477 0.621,478 23.937,479 0.725,480 34.733,481 0.643,482 40.081,483 1.215,484 9.373,485 0.284,486 6.513,487 0.197,488 0.111,489 0.053,490 0.287,496 0.603,497 1.068,498 0.793,499 1.054,500 0.662,501 0.819,502 0.554,503 1.085,504 0.854,505 0.999,506 0.573,507 0.968,508 0.909,509 1.093,510 1.057,511 1.11,512 0.851,513 0.965,514 1.401,515 1.069,516 1.141,517 1.026,518 1.331,519 0.956,520 1.291,521 1.031,522 1.115,523 1.054,524 1.277,525 0.993,526 0.906,527 0.858,528 0.995,529 0.943,530 0.987,531 1.113,532 0.77,533 0.979,534 0.852,535 0.967,536 0.795,537 1.079,538 0.936,539 1.067,540 0.997,541 1.029,542 0.879,543 0.977,544 7,545 0.194,546 4.667,547 2.5,548 2.009,549 1.222,550 0.584,551 0.516,552 0.377,553 0.206,554 16426,555 52942,556 2.054,557 38.9,559 16,562 5,567 1.748,568 1.913,569 3.739,570 2.371,572 1,577 94.874,578 1.757,579 3.502,580 4.359,581 5.156,582 5.422,583 5.459,584 3.23,585 4.741,586 5.017,587 3.935,588 2077.47,589 8.761,590 32064.8,595 310.764,596 1.554,597 4.964,598 0.194,599 0.007,600 0.092,601 0.045,602 0.039,603 0.025,604 0.015,605 0.016,606 0.012,607 0.007,608 0.452,609 0.17,610 0.75,611 1.177,612 177.649,613 0.019,614 0.113,615 0.157,616 0.034,617 -0.137,618 0.089,619 0.217,620 0.007,622 -0.01,623 0.144,624 -0.052,625 -0.035,626 -0.071,627 -0.015,628 -0.049,629 0.006,630 0.021,631 -0.253,632 -0.06,633 -0.108,634 -0.026,635 -0.171,636 -0.012,637 -0.151,638 -0.036,639 -0.123,640 -0.069,641 -0.1,642 -0.047,643 0.13,644 0.084,645 -0.141,646 -0.029,647 0.083,648 -0.146,649 -0.012,650 -0.065,651 0.04,652 -0.024,653 -0.055,654 -0.036,655 -0.021,656 -0.112,657 0.063,658 -0.017,659 0.004,660 0.051,661 4.667,662 5.676,663 0.667,664 36.408,665 1.018,666 1.122,667 2.085,668 4.348,669 0.696,670 3.611,671 3.951,672 4.22,673 4.454,674 4.71,675 4.736,676 4.852,677 4.934,678 5.03,679 5.063,680 8.148,681 0.673,682 463.56,683 3.611,684 5.165,685 6.019,686 6.905,687 7.779,688 8.668,689 9.548,690 10.439,691 11.322,692 12.213,693 9.3,694 1,695 1,700 2,702 1,709 12,714 6,716 18,723 1,735 54,737 23,738 3,739 36,741 57,742 23,743 18,744 6,745 12,746 3,748 4,749 5,751 1,754 1,762 21,763 2,767 5,770 1,772 4,775 1,776 3,780 1,783 21,784 9,785 5,786 10,787 1,792 5,797 0.75,798 4,816 4,820 1,836 1,843 3,845 1,851 33,852 1,855 1,858 2,860 3,874 7.4,877 4,881 17.25,882 9.367,883 7.264,884 2.975,886 3.855,887 1.479,888 1.018,889 6.562,890 11.896,891 3.932,892 4.549,893 5.095,894 5.634,895 6.187,896 6.404,897 6.779,898 7.047,899 7.384,900 7.668,901 1,902 55,903 12.464,905 5.679,906 8.088,907 22.621,909 18.695,911 2.588,912 85.417,916 188.338,917 152.95,918 101.864,920 94.603,922 5.807,923 147.142,924 282.94,925 101.864,927 73.008,928 135.927,929 106.769,930 33.713,932 188.338,934 188.338,935 249.006,936 94.603,937 5.807,939 188.338,940 94.603,943 106.076,944 142.931,945 5.807,947 188.338,948 196.467,949 152.95,951 5.807,952 188.338,953 33.427,954 113.715,955 52.304,956 144.163,957 188.338,958 196.467,959 152.95,961 0.583,962 0.344,963 0.182,964 0.104,965 24,966 11,967 0.123,968 7,969 1,970 1.091,971 4.365,972 301.177,973 0.091,974 22,975 160.465,980 1,981 22.679,982 9.549,983 4.961,985 196.467,986 19.891,991 2.722,993 85.201,994 537.754,995 50,998 -3.751,1000 49.242,1003 4.173,1004 -0.099,1007 54.963,1008 60.571,1009 0.305,1010 0.609,1011 0.757,1012 0.896,1013 0.942,1014 0.949,1015 5.173,1016 1.563,1017 6.033,1018 5.127,1019 4.635,1020 5.236,1021 1.641,1022 6.891,1023 4.59,1024 6.413,1025 1.442,1026 7.63,1027 4.146,1028 4.369,1029 5.247,1031 8.078,1032 4.271,1033 7.76,1034 1.274,1035 9.342,1036 3.178,1037 6.312,1038 7.523,1039 1.677,1040 11.127,1041 6.199,1042 9.15,1043 1.152,1044 11.124,1045 2.845,1046 6.878,1047 8.364,1049 13.14,1050 6.692,1051 10.577,1052 1.033,1053 12.953,1054 2.575,1055 8.326,1056 10.156,1057 1.719,1058 15.779,1059 8.119,1060 12.031,1061 1,1062 14.813,1063 2.428,1064 9.249,1065 11.36,1067 18.091,1068 8.965,1069 13.505,1070 0.922,1071 16.696,1072 2.297,1073 10.519,1074 12.977,1075 1.766,1076 20.618,1077 10.202,1078 3.382,1079 0.222,1080 18.596,1081 2.275,1082 11.594,1083 14.348,1085 23.042,1086 11.203,1087 3.187,1088 12.431,1089 20.509,1090 0.357,1091 12.805,1092 15.9,1093 1.817,1094 25.541,1095 12.368,1096 2.819,1097 11.148,1098 22.432,1099 4.703,1100 13.945,1101 17.351,1103 28.009,1104 13.439,1105 2.634,1106 8.751,1107 24.364,1108 4.165,1109 15.138,1110 18.882,1111 1.874,1112 30.505,1113 14.578,1114 2.317,1115 8.482,1116 26.303,1117 3.713,1118 16.308,1119 20.372,1121 32.992,1122 15.68,1123 1.963,1124 6.905,1125 28.248,1126 3.6,1127 17.499,1128 21.899,1129 1.935,1130 35.491,1131 16.811,1132 1.831,1133 5.593,1134 30.198,1135 3.068,1136 18.683,1137 23.411,1139 37.988,1140 17.929,1141 15739,1142 28407,1143 23.75,1144 37.585,1145 54.151,1146 57.001,1147 55.62,1148 53.799,1149 53.783,1150 72.919,1151 4.076,1152 157.753,1153 52.739,1154 5.709,1155 6.684,1156 7.138,1157 5.353,1158 5.382,1159 7.703,1160 2.117,1161 19.798,1162 5.166,1163 17.463,1164 1.504,1165 1.583,1166 1.545,1167 1.494,1168 1.494,1169 2.026,1170 0.113,1171 4.382,1172 1.465,1173 4.094,1174 4.093,1175 4.735,1176 4.071,1177 7.717,1178 4.004,1179 4.019,1180 4.027,1181 4,1182 3.956,1183 7.431,1184 3.945,1185 3.852,1186 3.877,1187 3.824,1188 3.78,1189 7.427,1190 3.776,1191 3.703,1192 3.733,1193 3.719,1194 3.603,1195 6.999,1196 3.552,1197 3.464,1198 3.511,1199 3.346,1200 3.264,1201 5.009,1202 3.254,1203 3.398,1204 3.453,1205 3.327,1206 3.19,1207 4.889,1208 3.207,1209 3.263,1210 3.296,1211 3.219,1212 3.045,1213 4.682,1214 3.073,1215 3.048,1216 3.07,1217 3.002,1218 2.906,1219 4.644,1220 2.92,1221 0.135,1222 0.13,1223 0.203,1224 0.119,1225 0.094,1226 4.849,1227 0.131,1228 4.684,1229 0.029,1230 7.297,1231 0.345,1232 4.302,1233 0.088,1234 3.382,1235 4.703,1236 1.058,1237 12.431,1238 3.166,1239 1.996,1240 1.986,1241 2.07,1242 2.088,1243 1.201,1244 2.09,1245 1.966,1246 1.962,1247 1.997,1248 2.041,1249 1.18,1250 2.065,1251 1.837,1252 1.813,1253 1.94,1254 1.93,1255 1.039,1256 1.94,1257 1.607,1258 1.582,1259 1.813,1260 1.824,1261 1.012,1262 1.838,1263 1.359,1264 1.329,1265 1.433,1266 1.585,1267 0.564,1268 1.593,1269 1.294,1270 1.251,1271 1.313,1272 1.542,1273 0.436,1274 1.525,1275 1.148,1276 1.118,1277 1.247,1278 1.405,1279 0.29,1280 1.379,1281 0.996,1282 0.968,1283 1.183,1284 1.165,1285 0.241,1286 1.162,1287 4.29,1289 5.624,1291 7.163,1293 8.793,1295 10.47,1301 5.349,1303 0.268,1305 7.622,1314 36.368,1315 94.874,1316 189.115,1317 235.38,1318 278.399,1319 292.764,1320 294.764,1321 81.884,1322 8.041,1323 147.04,1324 155.42,1325 24,1326 12.742,1327 4.585,1328 3.907,1329 54.71,1330 165,1331 168,1332 0.162,1333 227.779,1334 401.31,1335 547.542,1336 39227,1338 23.424,1339 0.71,1340 0.552,1341 23.674,1342 18.225,1343 15.886,1344 0.441,1345 0.321,1346 10.074,1347 14.55,1348 9.78,1349 8.109,1350 16.707,1351 11.562,1352 14.54,1353 0.285,1354 0.176,1355 15.864,1356 8.96,1357 12.112,1358 0.181,1359 0.096,1360 13.207,1361 6.414,1362 9.756,1363 0.115,1364 0.052,1365 10.656,1366 4.424,1367 8.282,1368 0.075,1369 0.028,1370 9.107,1371 3.052,1372 0.261,1373 107.78,1374 0.205,1375 31.066,1376 0.425,1377 174,1378 563.759,1379 227.193,1380 567.871,1381 763.33,1382 522,1383 205,1384 528.94,1385 264.706,1386 571.603,1387 833.18,1388 537,1389 6.3}
{0 CHEMBL2000508,1 1.665,2 7.714,3 3.905,4 15.249,5 81.269,6 9.528,7 0.875,8 3.588,9 3.676,10 3.432,11 3.288,12 4.804,13 3.257,14 4.048,15 4.162,16 3.817,17 3.652,18 5.272,19 3.619,20 4.201,21 4.366,22 3.728,23 3.685,24 5.379,25 3.628,26 4.156,27 4.329,28 3.661,29 3.63,30 5.281,31 3.574,32 4.178,33 4.342,34 3.785,35 3.732,36 5.272,37 3.648,38 4.219,39 4.378,40 3.711,41 3.733,42 5.381,43 3.592,44 4.107,45 4.324,46 3.322,47 3.409,48 5.196,49 3.245,50 3.739,51 4.023,52 2.831,53 2.72,54 4.925,55 2.621,56 0.035,57 0.507,58 3.543,59 2.448,60 3.591,61 2.556,62 0.123,63 0.856,64 8.162,65 4.04,66 7.557,67 3.977,68 0.182,69 0.977,70 11.445,71 5.463,72 22.954,73 5.76,74 0.196,75 0.92,76 9.906,77 4.794,78 23.219,79 5.015,80 0.171,81 0.909,82 10.086,83 5.012,84 13.081,85 5.321,86 0.206,87 0.992,88 14.781,89 6.539,90 18.129,91 6.644,92 0.203,93 0.887,94 17.048,95 6.611,96 15.798,97 7.421,98 0.17,99 0.65,100 12.286,101 4.506,102 18.405,103 5.343,104 2,105 34,106 0.304,107 0.582,108 0.754,109 0.81,110 0.81,111 0.81,112 3.105,113 0.916,114 -4.53,115 -4.45,116 -4.19,119 51.6,142 6,143 2,144 1,145 2,146 1,151 2,152 1,162 1,172 6,174 1,175 6,183 5,188 7,196 3,200 6,208 6,212 1,213 2,221 10,224 1,225 1,233 6,238 3,250 2,276 558,277 14.637,278 14.637,279 14.637,280 14.637,281 14.637,282 12.209,283 1.628,284 8.709,285 15.138,286 11.886,287 11.886,288 11.886,289 11.886,290 11.886,291 8.322,292 0.662,293 4.163,294 12.732,295 3.289,296 1.765,297 0.823,298 0.516,299 0.516,300 0.516,301 3.806,304 1,305 1,306 1,307 361,308 1.871,311 84.555,312 108.115,314 69.342,319 1.088,320 15.884,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 45,332 162,333 4.733,334 3.322,335 7.018,336 4.265,337 3.321,338 4.677,340 12.047,341 3.151,342 4.062,343 2.907,344 5.998,345 3.607,346 2.645,347 3.699,349 8.453,350 2.557,351 3.911,352 2.51,353 5.725,354 3.417,355 2.481,356 3.499,358 7.682,359 2.295,360 3.593,361 2.45,362 5.044,363 3.151,364 2.215,365 3,367 6.045,368 2.049,369 3.169,370 1.724,371 4.666,372 2.619,373 1.705,374 2.468,376 4.606,377 1.548,378 2.901,379 1.461,380 4.409,381 2.339,382 1.414,383 2.094,385 4.008,386 1.299,387 2.692,388 1.215,389 3.627,390 2.109,391 1.206,392 1.785,394 2.852,395 1.078,396 2.5,397 1,398 3.435,399 2,400 1,401 1.5,403 2.275,404 1,405 2.5,406 1,407 3.414,408 1.984,409 1,410 1.5,412 2.253,413 0.983,414 2.435,415 0.985,416 3.247,417 1.842,418 0.951,419 1.404,421 2.136,422 0.829,423 1.698,424 0.359,425 3.164,426 1.121,427 0.24,428 0.343,430 0.658,431 0.208,432 1.148,433 0.2,434 2.628,435 0.725,436 -0.181,437 -0.23,439 -0.409,440 -0.159,441 0.745,442 -0.609,443 2.223,444 0.28,445 -0.67,446 -0.905,448 -1.567,449 -0.631,450 0.5,451 -0.888,452 2.156,454 -1,455 -1.378,457 -2.347,458 -0.946,459 0.5,460 -1,461 2,462 -0.049,463 -1,464 -1.5,466 -2.818,467 -0.951,468 10.319,469 0.491,470 0.432,471 0.021,472 32,473 1.524,474 18,475 0.857,476 14,477 0.667,478 12.787,479 0.609,480 20.281,481 0.654,482 20.105,483 0.957,484 6.291,485 0.3,486 4.036,487 0.192,488 0.028,490 0.329,494 1,496 0.6,497 0.959,498 0.623,499 0.795,500 0.519,501 0.747,502 0.725,503 1.024,504 0.86,505 1.009,506 0.6,507 0.884,508 1.044,509 0.997,510 0.885,511 0.888,512 0.986,513 0.929,514 1.027,515 0.866,516 0.805,517 0.74,518 0.902,519 0.883,520 0.622,521 0.661,522 0.857,523 0.753,524 0.388,525 0.861,526 0.559,527 0.865,528 1.494,529 1.377,530 0.504,531 1.317,532 0.634,533 1.061,534 1.396,535 1.481,536 0.809,537 1.369,538 1.162,539 1.268,540 0.653,541 1.009,542 1.32,543 0.992,544 3,545 0.012,546 2.222,547 1.382,548 1.228,549 0.598,550 0.215,551 0.278,552 0.119,553 0.046,554 4212,555 13526,556 2.215,557 32.3,559 6,560 2,561 2,567 1.639,568 2.136,569 2.927,570 -0.75,572 1,577 51.606,578 1.665,579 3.189,580 4.131,581 4.438,582 4.438,583 4.438,584 2.398,585 4.011,586 4.362,587 3.026,588 635.374,589 7.513,590 6513.98,592 1,593 1,594 1,595 153.58,596 1.166,597 4.35,598 0.125,599 0.012,600 0.065,601 0.043,602 0.041,603 0.019,604 0.008,605 0.016,606 0.013,607 0.011,608 0.354,609 0.83,610 1,611 0.418,612 92.245,613 -0.027,614 -0.123,615 0.054,616 -0.009,617 -0.048,618 0.001,619 -0.007,620 -0.125,621 -0.044,622 -0.153,623 -0.009,624 -0.1,625 -0.124,626 -0.048,627 -0.057,628 -0.004,629 -0.059,630 -0.012,631 -0.176,632 0.048,633 -0.053,634 0.082,635 -0.126,636 0.01,637 -0.064,638 0.133,639 0.013,640 0.14,641 -0.005,642 0.046,643 0.075,644 -0.026,645 -0.297,646 -0.262,647 0.055,648 -0.326,649 0.175,650 -0.205,651 -0.118,652 -0.309,653 0.024,654 -0.206,655 0.147,656 -0.254,657 0.464,658 0.053,659 0.144,660 0.276,661 1.912,662 5.139,663 0.952,664 13.986,665 1.014,666 1.11,667 3.297,668 10.868,669 0.763,670 3.219,671 3.555,672 3.892,673 4.234,674 4.477,675 4.605,676 4.754,677 4.82,678 4.852,679 4.727,680 4.646,681 0.734,682 295.36,683 3.219,684 4.762,685 5.638,686 6.538,687 7.44,688 8.353,689 9.266,690 10.184,691 11.103,692 12.025,693 9.7,701 1,703 2,708 1,709 10,710 2,713 1,714 5,716 21,734 1,735 31,737 21,738 1,739 24,741 34,742 16,743 16,744 2,745 4,748 4,749 5,762 16,780 1,781 1,783 10,784 3,786 5,787 1,789 1,792 3,797 0.75,809 1,815 2,816 2,818 1,843 3,845 1,849 1,851 21,868 1,873 1,881 9.833,882 5.743,883 4.556,884 1.776,886 3.911,887 1.551,888 1.078,889 2.954,890 11.014,891 3.57,892 4.248,893 4.94,894 5.635,895 6.195,896 6.627,897 7.142,898 7.528,899 7.943,900 8.193,901 1,902 32,903 7.72,905 3.357,906 7.778,907 14.673,909 12.261,911 2.278,912 47.833,916 117.711,917 143.932,918 34.858,921 14.96,922 31.278,923 112.654,924 117.711,925 49.818,928 73.554,929 57.113,930 37.63,931 41.259,932 101.904,934 117.711,935 147.512,936 14.96,937 31.278,939 132.671,943 22.138,944 91.803,945 33.571,946 31.278,947 132.671,948 34.858,949 143.932,952 117.711,953 52.283,954 92.935,956 48.531,957 117.711,958 49.818,959 143.932,961 0.579,962 0.344,963 0.2,964 0.115,965 19,966 7,967 0.059,968 2,969 1,970 1.1,971 3.363,972 174.365,973 0.1,974 20,975 84.239,977 1,981 12.515,982 4.956,983 2.112,984 0.918,985 48.531,986 17.849,987 8.748,990 1.577,991 3.549,994 311.461,995 34.5,1007 31.429,1008 34.415,1009 0.336,1010 0.644,1011 0.834,1012 0.896,1013 0.896,1014 0.896,1015 4.781,1016 1,1017 5.617,1018 2.852,1019 4.234,1020 4.934,1022 6.466,1023 4.111,1024 6.011,1025 1,1026 7.188,1027 2.275,1028 3.761,1029 4.691,1031 7.448,1032 3.577,1033 7.329,1034 0.951,1035 8.866,1036 2.253,1037 5.844,1038 7.235,1040 10.625,1041 5.622,1042 8.693,1043 0.24,1044 10.612,1045 2.136,1046 6.275,1047 7.92,1049 12.527,1050 5.989,1051 10.093,1052 -0.181,1053 12.404,1054 0.658,1055 7.787,1056 9.857,1058 15.222,1059 7.471,1060 11.522,1061 -0.67,1062 14.228,1063 -0.409,1064 8.633,1065 10.986,1067 17.484,1068 8.254,1069 12.973,1070 -1,1071 16.076,1072 -1.567,1073 9.93,1074 12.677,1076 20.034,1077 9.516,1078 3.321,1079 -1,1080 17.943,1081 -2.347,1082 10.968,1083 14.023,1085 22.436,1086 10.493,1087 2.645,1088 12.047,1089 19.825,1090 -2.818,1091 12.189,1092 15.615,1094 24.941,1095 11.672,1096 2.481,1097 8.453,1098 21.718,1099 4.677,1100 13.313,1101 17.064,1103 27.396,1104 12.739,1105 2.215,1106 7.682,1107 23.62,1108 3.699,1109 14.51,1110 18.619,1112 29.889,1113 13.889,1114 1.705,1115 6.045,1116 25.53,1117 3.499,1118 15.674,1119 20.116,1121 32.364,1122 14.997,1123 1.414,1124 4.606,1125 27.447,1126 3,1127 16.866,1128 21.659,1130 34.854,1131 16.139,1132 1.206,1133 4.008,1134 29.369,1135 2.468,1136 18.048,1137 23.179,1139 37.337,1140 17.267,1141 3969,1142 7219,1143 16.701,1144 23.648,1145 36.764,1146 36.756,1147 37.161,1148 36.375,1149 36.356,1150 51.938,1152 106.028,1153 33.991,1154 5.422,1155 5.322,1156 6.82,1157 5.409,1158 5.321,1159 7.677,1161 19.4,1162 5.151,1163 5.763,1164 1.532,1165 1.532,1166 1.548,1167 1.516,1168 1.515,1169 2.164,1171 4.418,1172 1.416,1173 4.156,1174 4.189,1175 4.358,1176 4.071,1177 8.201,1178 4.058,1179 3.852,1180 3.881,1181 3.865,1182 3.787,1183 5.06,1184 3.776,1185 3.778,1186 3.819,1187 3.768,1188 3.697,1189 4.848,1190 3.677,1191 3.18,1192 3.213,1193 3.306,1194 3.109,1195 4.592,1196 3.087,1197 2.854,1198 2.925,1199 2.841,1200 2.735,1201 4.077,1202 2.715,1203 2.854,1204 2.925,1205 2.687,1206 2.735,1207 3.79,1208 2.715,1209 2.783,1210 2.833,1211 2.687,1212 2.63,1213 3.674,1214 2.635,1215 2.65,1216 2.716,1217 2.623,1218 2.483,1219 3.674,1220 2.48,1221 0.197,1222 0.138,1223 0.292,1224 0.178,1225 0.138,1226 4.733,1227 0.195,1228 3.322,1230 7.018,1231 0.502,1232 4.265,1233 0.131,1234 3.321,1235 4.677,1237 12.047,1238 3.151,1239 1.933,1240 1.909,1241 2.016,1242 2.026,1243 1.133,1244 2.024,1245 1.824,1246 1.791,1247 1.929,1248 1.938,1249 0.991,1250 1.938,1251 1.482,1252 1.427,1253 1.6,1254 1.703,1255 0.673,1256 1.674,1257 1.361,1258 1.362,1259 1.249,1260 1.44,1261 0.535,1262 1.464,1263 1.135,1264 1.106,1265 1.181,1266 1.226,1267 0.324,1268 1.258,1269 0.886,1270 0.821,1271 1.181,1272 1.062,1273 0.218,1274 1.107,1275 0.886,1276 0.821,1277 1.158,1278 1.062,1279 0.218,1280 1.107,1281 0.66,1282 0.609,1283 0.854,1284 0.877,1286 0.868,1287 3.892,1289 5.22,1290 3.045,1291 6.749,1292 5.416,1293 8.371,1294 7.535,1295 10.048,1299 13.139,1314 22.742,1315 51.606,1316 98.851,1317 128.07,1318 137.58,1319 137.58,1320 137.58,1321 24.35,1322 7.102,1323 30.19,1324 58.43,1325 22,1326 12.533,1327 4.459,1328 3.524,1329 27.746,1330 56,1331 66,1332 0.243,1333 141.04,1334 226.14,1335 335.897,1336 10281,1337 3.2,1338 14.234,1339 0.678,1340 0.558,1341 13.717,1342 11.718,1343 10.326,1344 0.43,1345 0.305,1346 6.443,1347 9.523,1348 6.252,1349 5.155,1350 10.387,1351 7.326,1352 9.25,1353 0.272,1354 0.161,1355 9.211,1356 5.48,1357 8.142,1358 0.17,1359 0.085,1360 8.355,1361 4.09,1362 7.128,1363 0.105,1364 0.046,1365 7.684,1366 3.094,1367 5.877,1368 0.068,1369 0.024,1370 6.262,1371 2.087,1372 0.361,1373 68.812,1374 0.245,1375 20.259,1376 0.735,1377 116,1378 377.907,1379 149.47,1380 368.119,1381 508.16,1382 346,1383 140,1384 366.536,1385 168.916,1386 381.35,1387 562.95,1388 360,1389 5.1}
{0 CHEMBL2000568,1 1.453,2 7.222,3 2.291,4 5.247,5 70.479,6 7.876,7 0.8,8 3.509,9 3.617,10 3.136,11 3.152,12 4.679,13 3.129,14 3.977,15 4.122,16 3.481,17 3.525,18 5.124,19 3.486,20 4.166,21 4.335,22 3.452,23 3.581,24 5.328,25 3.514,26 4.14,27 4.338,28 3.269,29 3.492,30 5.228,31 3.397,32 4.071,33 4.308,34 3.117,35 3.353,36 5.069,37 3.242,38 3.862,39 4.067,40 3.018,41 3.187,42 4.964,43 3.097,44 3.789,45 4.014,46 2.806,47 2.992,48 4.934,49 2.89,50 3.567,51 3.845,52 2.44,53 2.658,54 4.55,55 2.539,56 0.012,57 0.406,58 5.169,59 2.52,60 4.125,61 3.15,62 0.058,63 0.654,64 9.22,65 4.224,66 9.013,67 5.402,68 0.092,69 0.761,70 12.214,71 5.23,72 23.381,73 6.555,74 0.107,75 0.74,76 12.592,77 5.203,78 22.639,79 6.705,80 0.086,81 0.675,82 12.802,83 5.263,84 19.382,85 7.138,86 0.054,87 0.552,88 9.649,89 4.06,90 15.493,91 5.342,92 0.143,93 0.517,94 9.611,95 3.581,96 24.84,97 4.681,98 0.074,99 0.416,100 8.416,101 2.979,102 13.104,103 4.12,104 6,105 28,106 0.271,107 0.611,108 0.777,109 0.874,110 0.886,111 0.886,112 2.961,113 0.868,114 -3.69,115 -3.66,116 -3.48,119 50,120 1,142 6,143 4,145 1,151 1,157 1,161 1,172 10,175 4,178 1,180 2,183 12,188 5,193 1,196 11,200 4,205 1,208 8,213 4,218 1,221 7,225 2,230 2,233 4,237 1,238 2,243 2,246 2,250 1,255 1,258 1,267 1,269 1,276 334,277 12.223,278 12.223,279 12.223,280 12.223,281 12.223,282 10.282,283 2.428,284 7.172,285 12.297,286 9.877,287 9.877,288 9.877,289 9.877,290 9.877,291 6.957,292 1.842,293 3.386,294 9.997,295 3.454,296 1.634,297 0.742,298 0.225,299 0.158,300 0.158,301 3.639,304 1,305 1,306 1,307 282,308 2.345,311 37.755,312 92.23,315 64.397,319 1.136,320 12.722,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 38,332 130,333 4.469,334 3.547,335 6.312,336 4.012,337 3.025,338 4.391,339 1.277,340 9.648,341 2.995,342 4.219,343 3.001,344 6.071,345 3.798,346 2.803,347 3.865,349 8.802,350 2.787,351 3.854,352 2.67,353 5.808,354 3.497,355 2.491,356 3.267,358 7.811,359 2.497,360 3.165,361 2.014,362 4.482,363 2.676,364 1.667,365 2.429,367 4.45,368 1.677,369 3.034,370 1.534,371 4.313,372 2.481,373 1.534,374 2.301,376 4.091,377 1.448,378 2.721,379 1.406,380 3.715,381 2.213,382 1.225,383 1.804,385 2.843,386 1.207,387 2.532,388 1.154,389 3.439,390 2.027,391 1,392 1.5,394 2.337,395 1.023,396 2.5,397 1,398 3.426,399 1.972,400 1,401 1.474,403 2.314,404 0.97,405 1.901,406 0.409,407 3.032,408 1.354,409 0.408,410 0.608,412 1.006,413 0.385,414 0.922,415 0.314,416 2.59,417 0.487,418 -0.503,419 -0.688,421 -1.295,422 -0.496,423 0.734,424 -0.495,425 2.168,426 0.254,427 -0.754,428 -0.998,430 -1.974,431 -0.754,432 0.615,433 -0.691,434 2,435 0.099,436 -0.88,437 -1.306,439 -2,440 -0.853,441 0.5,442 -0.878,443 1.675,444 0.09,445 -1,446 -1.43,448 -2.51,449 -0.97,450 0.408,451 -1,452 1.524,453 -0.032,454 -1,455 -1.5,457 -2.582,458 -1.094,459 -0.104,460 -1.553,461 1.439,462 -0.63,463 -1.598,464 -2.091,466 -4.606,467 -1.524,468 8.633,469 0.48,470 0.435,471 0.024,472 26.75,473 1.486,474 15.5,475 0.861,476 11.25,477 0.625,478 10.027,479 0.557,480 17.767,481 0.592,482 16.6,483 0.922,484 5.41,485 0.301,486 3.327,487 0.185,488 0.097,490 0.347,496 0.671,497 1.054,498 0.721,499 0.881,500 0.568,501 0.814,502 0.668,503 0.946,504 0.777,505 0.904,506 0.59,507 0.859,508 1.162,509 1.126,510 1.065,511 1.073,512 1.173,513 1.065,514 1.083,515 0.998,516 1.147,517 1.068,518 1.075,519 1.105,520 0.761,521 0.92,522 0.896,523 0.962,524 0.79,525 0.951,526 0.911,527 1.148,528 0.994,529 1.128,530 0.917,531 1.086,532 1.215,533 1.039,534 1.151,535 1.05,536 1.317,537 1.087,538 1.034,539 0.895,540 0.932,541 0.896,542 0.861,543 0.886,544 3.5,546 2.222,547 0.882,548 0.751,549 0.573,550 0.232,551 0.181,552 0.118,553 0.049,554 2801,555 7619,556 2.12,557 40,559 6,560 1,561 1,562 1,563 3,567 1.587,568 2,569 2.925,570 -0.334,572 1,573 1,574 1,577 43.584,578 1.453,579 3.273,580 4.165,581 4.682,582 4.748,583 4.748,584 2.281,585 3.461,586 4.145,587 3.012,588 460.808,589 7.033,590 4276.05,591 1,592 1,594 1,595 147.207,596 1.352,597 4.109,598 0.175,600 0.079,601 0.034,602 0.036,603 0.032,604 0.014,605 0.015,606 0.015,607 0.012,608 0.412,609 1,610 1,611 0.816,612 75.527,613 -0.04,614 -0.028,615 0.036,616 0.026,617 -0.069,618 0.039,619 0.052,620 0.068,621 0.05,622 0.022,623 0.022,624 0.032,625 -0.146,626 -0.157,627 -0.164,628 -0.128,629 -0.101,630 -0.148,631 -0.157,632 -0.032,633 -0.21,634 -0.108,635 -0.139,636 -0.153,637 0.019,638 -0.004,639 0.108,640 0.045,641 0.024,642 0.081,643 -0.017,644 -0.211,645 -0.035,646 -0.153,647 0.016,648 -0.109,649 0.037,650 -0.06,651 -0.122,652 -0.091,653 -0.041,654 -0.123,655 -0.004,656 0.08,657 0.174,658 0.095,659 0.079,660 0.156,661 1.59,662 4.379,663 0.833,664 10.617,665 0.998,666 1.109,667 2.465,668 6.074,669 0.709,670 3.045,671 3.367,672 3.638,673 3.871,674 4.06,675 4.111,676 4.234,677 4.277,678 4.22,679 4.22,680 4.539,681 0.68,682 236.29,683 3.045,684 4.575,685 5.425,686 6.297,687 7.165,688 8.039,689 8.912,690 9.788,691 10.663,692 11.54,693 6.7,701 1,703 1,708 2,709 8,710 1,711 1,714 3,716 16,721 1,735 30,737 17,738 1,739 20,741 32,742 15,743 13,744 2,745 4,746 1,748 3,749 4,754 1,762 14,763 1,767 1,772 1,776 1,780 1,783 12,784 2,785 1,786 3,792 2,797 0.667,798 1,809 1,811 1,815 1,816 2,819 1,843 2,847 1,851 18,874 3.3,877 1,881 9,882 5.783,883 3.917,884 1.742,886 3.27,887 1.501,888 1.034,889 2.543,890 9.794,891 3.401,892 4.056,893 4.702,894 5.318,895 5.854,896 6.206,897 6.694,898 7.099,899 7.328,900 7.71,901 0.8,902 26,903 6.611,905 2.804,906 7.75,907 12.599,909 10.315,911 2.25,912 40.5,913 0.001,916 129.482,917 102.756,918 33.571,920 25.145,923 102.756,924 154.627,925 33.571,926 8.825,928 65.905,929 60.55,930 37.963,931 11.771,932 105.94,934 129.482,935 136.327,936 25.145,939 129.482,940 25.145,943 36.373,944 83.168,945 16.786,947 129.482,948 58.716,949 102.756,952 129.482,953 18.978,954 83.778,955 16.786,956 41.93,957 129.482,958 58.716,959 102.756,961 0.585,962 0.342,963 0.178,964 0.093,965 15,966 6,967 0.063,968 2,969 1,970 1.133,971 3.078,972 131.254,973 0.133,974 15,975 75.059,981 10.879,982 4.208,983 1.997,984 1.946,985 41.93,986 15.353,987 4.352,988 3.063,991 2.755,993 16.786,994 290.954,995 29,1000 11.379,1004 0.076,1007 29.949,1008 33.282,1009 0.296,1010 0.667,1011 0.849,1012 0.954,1013 0.968,1014 0.968,1015 4.605,1016 1,1017 5.407,1018 2.337,1019 4.043,1020 4.741,1021 1.45,1022 6.205,1023 4.023,1024 5.835,1025 0.408,1026 6.959,1027 2.314,1028 3.611,1029 4.543,1031 7.071,1032 3.613,1033 7.148,1034 -0.503,1035 8.611,1036 1.006,1037 5.624,1038 7.02,1039 1.845,1040 10.136,1041 5.588,1042 8.501,1043 -0.754,1044 10.319,1045 -1.295,1046 6.019,1047 7.678,1049 11.806,1050 6,1051 9.885,1052 -0.88,1053 12.063,1054 -1.974,1055 7.491,1056 9.589,1057 2.271,1058 14.354,1059 7.443,1060 11.29,1061 -1,1062 13.83,1063 -2,1064 8.252,1065 10.651,1067 16.342,1068 8.212,1069 12.712,1070 -1,1071 15.611,1072 -2.51,1073 9.499,1074 12.315,1075 2.72,1076 18.701,1077 9.438,1078 3.025,1079 -1.598,1080 17.403,1081 -2.582,1082 10.43,1083 13.577,1085 20.825,1086 10.369,1087 2.803,1088 9.648,1089 19.202,1090 -4.606,1091 11.581,1092 15.13,1093 3.184,1094 23.111,1095 11.503,1096 2.491,1097 8.802,1098 21.006,1099 4.391,1100 12.592,1101 16.493,1103 25.298,1104 12.509,1105 1.667,1106 7.811,1107 22.814,1108 3.865,1109 13.702,1110 17.996,1111 3.658,1112 27.557,1113 13.606,1114 1.534,1115 4.45,1116 24.625,1117 3.267,1118 14.751,1119 19.41,1121 29.774,1122 14.647,1123 1.225,1124 4.091,1125 26.439,1126 2.429,1127 15.846,1128 20.892,1129 4.138,1130 32.023,1131 15.731,1132 1,1133 2.843,1134 28.254,1135 2.301,1136 16.915,1137 22.332,1139 34.256,1140 16.79,1141 2730,1142 4573,1143 13.523,1144 21.273,1145 30.69,1146 31.018,1147 30.793,1148 30.242,1149 30.305,1150 43.276,1151 2.555,1152 86.607,1153 29.98,1154 5.133,1155 5.547,1156 5.856,1157 5.057,1158 5.025,1159 7.391,1160 2.555,1161 16.131,1162 4.995,1163 7.156,1164 1.535,1165 1.551,1166 1.54,1167 1.512,1168 1.515,1169 2.164,1170 0.128,1171 4.33,1172 1.499,1173 4.117,1174 4.154,1175 4.078,1176 4.024,1177 7.428,1178 4.032,1179 3.899,1180 3.926,1181 3.846,1182 3.818,1183 5.071,1184 3.822,1185 3.463,1186 3.503,1187 3.378,1188 3.316,1189 4.692,1190 3.324,1191 3.289,1192 3.348,1193 3.175,1194 3.139,1195 4.307,1196 3.138,1197 2.865,1198 2.943,1199 2.77,1200 2.675,1201 3.895,1202 2.683,1203 2.781,1204 2.859,1205 2.609,1206 2.621,1207 3.786,1208 2.614,1209 2.699,1210 2.771,1211 2.522,1212 2.554,1213 3.553,1214 2.54,1215 2.333,1216 2.427,1217 2.154,1218 2.19,1219 3.432,1220 2.173,1221 0.223,1222 0.177,1223 0.316,1224 0.201,1225 0.151,1226 4.469,1227 0.22,1228 3.547,1229 0.064,1230 6.312,1231 0.482,1232 4.012,1233 0.15,1234 3.025,1235 4.391,1236 1.277,1237 9.648,1238 2.995,1239 1.99,1240 1.97,1241 2.071,1242 2.069,1243 1.193,1244 2.07,1245 1.774,1246 1.748,1247 1.869,1248 1.897,1249 0.966,1250 1.888,1251 1.464,1252 1.396,1253 1.65,1254 1.693,1255 0.688,1256 1.687,1257 1.377,1258 1.33,1259 1.637,1260 1.584,1261 0.608,1262 1.605,1263 1.04,1264 0.996,1265 1.215,1266 1.174,1267 0.335,1268 1.193,1269 0.804,1270 0.73,1271 1.1,1272 1.003,1273 0.174,1274 1.041,1275 0.673,1276 0.597,1277 0.965,1278 0.908,1279 0.012,1280 0.929,1281 0.502,1282 0.42,1283 0.84,1284 0.741,1286 0.781,1287 3.714,1289 5.03,1290 2.398,1291 6.544,1292 4.595,1293 8.144,1294 6.581,1295 9.788,1297 1.576,1314 20.392,1315 43.584,1316 98.187,1317 124.942,1318 140.452,1319 142.452,1320 142.452,1321 21.35,1322 6.524,1323 45.75,1324 45.75,1325 17,1326 12.079,1327 4.17,1328 3.322,1329 25.732,1330 49,1331 40,1332 0.266,1333 126.641,1334 207.95,1335 300.764,1336 5021,1338 12.535,1339 0.696,1340 0.554,1341 12.535,1342 9.974,1343 8.737,1344 0.437,1345 0.289,1346 5.736,1347 8.527,1348 5.558,1349 4.636,1350 8.737,1351 5.784,1352 7.955,1353 0.284,1354 0.153,1355 7.955,1356 4.276,1357 6.695,1358 0.181,1359 0.081,1360 6.695,1361 3.003,1362 5.467,1363 0.116,1364 0.043,1365 5.467,1366 2.015,1367 4.28,1368 0.075,1369 0.023,1370 4.28,1371 1.299,1372 0.404,1373 53.909,1374 0.272,1375 17.868,1376 0.768,1377 96,1378 263.714,1379 101.601,1380 262.802,1381 363.41,1382 246,1383 113,1384 270.073,1385 118.491,1386 278.045,1387 402.85,1388 262,1389 5.3}
{0 CHEMBL2000685,1 1.633,2 17.635,3 -0.795,4 0.632,5 197.783,6 7.705,7 0.333,8 4.611,9 4.775,10 4.16,11 4.037,12 5.926,13 4.048,14 5.018,15 5.209,16 4.492,17 4.377,18 6.329,19 4.359,20 5.249,21 5.449,22 4.565,23 4.521,24 6.546,25 4.504,26 5.372,27 5.597,28 4.581,29 4.591,30 6.541,31 4.554,32 5.39,33 5.593,34 4.702,35 4.666,36 6.594,37 4.634,38 5.51,39 5.711,40 4.732,41 4.751,42 6.814,43 4.703,44 5.685,45 5.957,46 4.717,47 4.785,48 6.824,49 4.706,50 5.571,51 5.807,52 4.747,53 4.727,54 6.814,55 4.675,56 0.347,57 1.487,58 18.62,59 5.964,60 47.349,61 8.878,62 0.558,63 2.061,64 29.896,65 11.116,66 75.412,67 16.097,68 0.855,69 2.42,70 38.644,71 10.681,72 106.018,73 16.373,74 0.813,75 2.528,76 46.578,77 13.148,78 100.293,79 20.563,80 0.682,81 2.713,82 45.51,83 15.146,84 94.932,85 22.505,86 1.072,87 2.993,88 50.431,89 15.356,90 138.11,91 23.327,92 1.348,93 3.042,94 69.702,95 19.366,96 187.164,97 31.167,98 1.247,99 2.904,100 59.131,101 17.804,102 171.825,103 27.158,104 261,105 74,106 0.239,107 0.51,108 0.576,109 0.609,110 0.614,111 0.614,112 3.973,113 0.838,114 -3.54,115 -3.52,116 -3.35,119 34.8,120 4,142 10,143 6,144 2,157 4,158 2,159 4,163 8,164 8,165 8,166 4,172 14,175 10,177 8,178 10,179 4,180 6,182 8,183 18,186 4,188 20,190 8,191 8,193 8,196 15,200 20,205 6,208 8,213 14,216 4,218 22,221 16,223 16,224 3,225 10,228 6,229 1,230 16,233 20,235 16,237 8,238 12,243 8,246 20,248 8,249 6,250 16,254 8,255 12,257 8,258 16,260 8,264 20,266 8,267 8,269 12,272 10,274 8,276 7066,277 33.308,278 33.308,279 33.308,280 33.308,281 33.308,282 28.565,283 41.759,284 19.725,285 34.012,286 26.615,287 26.615,288 26.615,289 26.615,290 26.615,291 19.831,292 51.581,293 9.476,294 27.593,295 4.891,296 3.044,297 2.598,298 2.367,299 2.337,300 2.337,301 4.646,307 1858,308 6.633,312 617.598,319 2.729,320 63.856,323 0.25,324 0.33,325 0.33,326 0.5,328 0.17,330 0.23,331 115,332 917,333 4.39,334 3.607,335 6.249,336 4.009,337 3.019,338 4.031,339 1.072,340 9.444,341 2.989,342 4.377,343 3.539,344 6.234,345 3.984,346 2.997,347 4.023,348 1.072,349 9.397,350 2.957,351 4.274,352 3.196,353 6.165,354 3.899,355 2.897,356 3.875,357 1.072,358 9.097,359 2.898,360 4,361 3.194,362 5.898,363 3.624,364 2.623,365 3.393,366 1.072,367 8.162,368 2.617,369 4,370 3.025,371 5.871,372 3.575,373 2.601,374 3.393,375 1.058,376 8.03,377 2.534,378 3.947,379 3.025,380 5.871,381 3.575,382 2.601,383 3.283,384 1.058,385 8.03,386 2.534,387 3.738,388 2.762,389 5.268,390 3.253,391 2.301,392 3.083,393 0.782,394 6.677,395 2.194,396 3.705,397 2.76,398 5.208,399 3.189,400 2.247,401 3.031,402 0.782,403 6.42,404 2.127,405 3.582,406 2.688,407 4.682,408 3.077,409 2.159,410 2.814,411 0.782,412 5.215,413 1.984,414 3.582,415 2.688,416 4.678,417 3.077,418 2.159,419 2.814,420 0.782,421 5.199,422 1.978,423 3.523,424 2.453,425 4.66,426 3.073,427 2.142,428 2.772,430 5.157,431 1.978,432 3.457,433 2.421,434 4.66,435 3.025,436 2.071,437 2.707,439 5.157,440 1.956,441 3.094,442 2.255,443 4.306,444 2.591,445 1.586,446 2.239,448 4.052,449 1.585,450 2.905,451 1.728,452 4.185,453 2.381,454 1.418,455 1.97,457 3.755,458 1.362,459 2.861,460 1.724,461 4.097,462 2.337,463 1.359,464 1.924,466 3.507,467 1.323,468 23.867,469 0.459,470 1.658,471 0.032,472 66.5,473 1.279,474 34,475 0.654,476 32.5,477 0.625,478 53.394,479 1.027,480 57.133,481 0.621,482 73.169,483 1.407,484 14.459,485 0.278,486 10.055,487 0.193,488 0.246,490 0.377,496 1.01,497 1.135,498 0.869,499 0.905,500 1.071,501 0.85,502 0.396,503 1.077,504 0.618,505 1.069,506 0.381,507 0.919,508 1.282,509 0.999,510 1.162,511 1.002,512 1.087,513 1.04,514 1.216,515 1.064,516 0.993,517 0.983,518 1.04,519 0.948,520 0.968,521 1.246,522 0.848,523 1.172,524 1.01,525 1.027,526 1.051,527 1.179,528 1.195,529 1.282,530 1.055,531 1.266,532 0.843,533 0.881,534 0.83,535 0.895,536 0.915,537 0.867,538 0.919,539 1.028,540 0.842,541 1.033,542 1.097,543 0.962,544 14,545 0.594,546 6,547 3.125,548 3.209,549 2.375,550 1.345,551 1.392,552 0.946,553 0.706,554 50224,555 164367,556 1.91,557 43.5,559 10,562 18,563 12,567 1.864,568 1.733,569 4.073,570 13.493,577 150.232,578 1.633,579 3.48,580 3.926,581 4.156,582 4.186,583 4.186,584 3.426,585 3.787,586 5.671,587 4.336,588 5748.97,589 10.12,590 127052,595 600.168,596 1.57,597 5.592,598 0.259,599 0.008,600 0.081,601 0.041,602 0.041,603 0.026,604 0.015,605 0.016,606 0.01,607 0.008,608 0.505,609 0.17,610 0.5,611 1.758,612 320.287,613 -0.152,614 0.19,615 -0.031,616 0.18,617 -0.274,618 0.116,619 0.362,620 0.112,621 0.256,622 0.07,623 0.303,624 0.125,625 -0.247,626 0.192,627 -0.251,628 0.01,629 -0.172,630 -0.097,631 -0.223,632 0.001,633 -0.045,634 0.068,635 -0.126,636 0.057,637 -0.032,638 -0.143,639 0.067,640 -0.049,641 -0.025,642 0.015,643 -0.076,644 -0.029,645 -0.285,646 -0.223,647 -0.076,648 -0.28,649 0.076,650 0.038,651 0.174,652 0.139,653 0.032,654 0.175,655 0.13,656 -0.042,657 0.136,658 0.031,659 0.068,660 0.068,661 2.183,662 6.501,663 0.346,664 85.337,665 1.013,666 1.152,667 2.311,668 5.343,669 0.646,670 4.007,671 4.317,672 4.466,673 4.663,674 4.934,675 5.011,676 5.153,677 5.247,678 5.323,679 5.421,680 10.927,681 0.626,682 708.9,683 4.007,684 5.549,685 6.358,686 7.217,687 8.055,688 8.918,689 9.77,690 10.636,691 11.496,692 12.366,693 19.6,694 8,700 2,702 8,709 10,714 8,716 18,719 4,723 2,735 92,737 28,738 3,739 54,741 94,742 32,743 18,744 8,745 10,746 10,748 3,749 3,752 4,754 4,762 28,763 4,767 10,772 2,775 8,776 10,783 40,784 20,785 18,786 20,792 18,797 1,798 2,816 3,836 8,843 3,847 4,851 52,852 8,860 2,874 2.2,877 2,881 30,882 16.933,883 11.5,884 4.491,886 4.9,887 1.57,888 0.968,889 14.673,890 13.499,891 4.304,892 4.894,893 5.355,894 5.897,895 6.449,896 6.74,897 7.163,898 7.472,899 7.816,900 8.147,901 1,902 77,903 18.997,905 7.792,906 8.058,907 34.482,909 26.109,911 2.558,912 133,916 258.964,917 182.723,918 432.503,920 50.29,923 182.723,924 309.254,925 432.503,926 35.301,927 299.199,928 94.762,929 70.726,930 157.931,931 7.596,932 258.964,934 258.964,935 615.226,936 50.29,939 258.964,940 50.29,943 467.804,944 147.422,947 258.964,948 482.793,949 182.723,952 258.964,953 52.66,954 130.063,955 36.022,956 446.771,957 258.964,958 482.793,959 182.723,961 0.582,962 0.305,963 0.148,964 0.094,965 27,966 18,967 0.128,968 12,970 1,971 5.575,972 534.652,974 18,975 202.423,981 40.455,982 18.86,983 13.022,985 482.793,986 16.249,991 3.342,993 299.199,994 924.48,995 73,1000 27.003,1003 30.859,1004 -0.229,1007 93.207,1008 105.955,1009 0.25,1010 0.533,1011 0.602,1012 0.637,1013 0.642,1014 0.642,1015 5.543,1016 2.247,1017 6.358,1018 6.677,1019 5.004,1020 5.583,1021 2.857,1022 7.119,1023 4.944,1024 6.782,1025 2.159,1026 7.898,1027 6.42,1028 4.691,1029 5.434,1030 1.494,1031 7.928,1032 4.604,1033 8.096,1034 2.159,1035 9.531,1036 5.215,1037 6.564,1038 7.73,1039 2.722,1040 10.956,1041 6.464,1042 9.435,1043 2.142,1044 11.214,1045 5.199,1046 6.967,1047 8.275,1048 1.803,1049 12.517,1050 6.858,1051 10.795,1052 2.071,1053 12.93,1054 5.157,1055 8.371,1056 10.109,1057 2.701,1058 15.078,1059 8.251,1060 12.17,1061 1.586,1062 14.667,1063 5.157,1064 9.104,1065 11.004,1066 1.98,1067 16.977,1068 8.985,1069 13.558,1070 1.418,1071 16.42,1072 4.052,1073 10.317,1074 12.623,1075 2.744,1076 19.345,1077 10.188,1078 3.019,1079 1.359,1080 18.185,1081 3.755,1082 11.217,1083 13.719,1084 2.123,1085 21.408,1086 11.092,1087 2.997,1088 9.444,1089 19.96,1090 3.507,1091 12.347,1092 15.225,1093 2.822,1094 23.691,1095 12.214,1096 2.897,1097 9.397,1098 21.742,1099 4.031,1100 13.335,1101 16.44,1102 2.254,1103 25.835,1104 13.203,1105 2.623,1106 9.097,1107 23.53,1108 4.023,1109 14.432,1110 17.886,1111 2.92,1112 28.081,1113 14.291,1114 2.601,1115 8.162,1116 25.323,1117 3.875,1118 15.465,1119 19.171,1120 2.382,1121 30.266,1122 15.322,1123 2.601,1124 8.03,1125 27.119,1126 3.393,1127 16.549,1128 20.585,1129 3.029,1130 32.498,1131 16.4,1132 2.301,1133 8.03,1134 28.919,1135 3.393,1136 17.606,1137 21.911,1138 2.51,1139 34.703,1140 17.452,1141 50572,1142 91674,1143 33.638,1144 59.387,1145 81.143,1146 82.205,1147 82.869,1148 80.091,1149 79.986,1150 106.345,1151 19.066,1152 223.527,1153 77.472,1154 5.247,1155 5.607,1156 5.793,1157 5.045,1158 5.019,1159 7.031,1160 2.13,1161 15.949,1162 4.989,1163 39.929,1164 1.503,1165 1.522,1166 1.535,1167 1.483,1168 1.481,1169 1.969,1170 0.353,1171 4.139,1172 1.435,1173 4.043,1174 4.074,1175 4,1176 3.96,1177 7.432,1178 3.965,1179 3.962,1180 3.993,1181 3.922,1182 3.894,1183 7.426,1184 3.896,1185 3.901,1186 3.924,1187 3.855,1188 3.842,1189 5.38,1190 3.841,1191 3.632,1192 3.717,1193 3.578,1194 3.405,1195 5.345,1196 3.431,1197 3.632,1198 3.717,1199 3.578,1200 3.405,1201 5.343,1202 3.431,1203 3.564,1204 3.654,1205 3.509,1206 3.298,1207 5.343,1208 3.338,1209 3.562,1210 3.65,1211 3.495,1212 3.282,1213 4.85,1214 3.322,1215 3.418,1216 3.472,1217 3.364,1218 3.154,1219 4.826,1220 3.201,1221 0.081,1222 0.067,1223 0.116,1224 0.074,1225 0.056,1226 4.39,1227 0.075,1228 3.607,1229 0.02,1230 6.249,1231 0.175,1232 4.009,1233 0.055,1234 3.019,1235 4.031,1236 1.072,1237 9.444,1238 2.989,1239 1.968,1240 1.946,1241 2.05,1242 2.068,1243 1.175,1244 2.062,1245 1.946,1246 1.922,1247 2.03,1248 2.041,1249 1.167,1250 2.038,1251 1.893,1252 1.873,1253 1.988,1254 1.975,1255 1.095,1256 1.979,1257 1.537,1258 1.47,1259 1.734,1260 1.812,1261 0.791,1262 1.778,1263 1.537,1264 1.47,1265 1.734,1266 1.812,1267 0.791,1268 1.778,1269 1.44,1270 1.371,1271 1.635,1272 1.755,1273 0.677,1274 1.713,1275 1.421,1276 1.34,1277 1.625,1278 1.741,1279 0.669,1280 1.703,1281 1.297,1282 1.232,1283 1.52,1284 1.591,1285 0.361,1286 1.593,1287 4.691,1289 6.004,1291 7.476,1293 9.026,1295 10.626,1297 6.709,1301 43.387,1305 5.679,1314 57.61,1315 150.232,1316 320.141,1317 361.174,1318 382.393,1319 385.148,1320 385.148,1321 182.796,1322 8.598,1323 365.24,1324 365.24,1325 18,1326 12.911,1327 4.858,1328 4.322,1329 134.018,1330 347,1331 298,1332 0.185,1333 370.214,1334 657.8,1335 895.083,1336 80458,1338 38.534,1339 0.741,1340 0.554,1341 38.534,1342 28.787,1343 24.514,1344 0.454,1345 0.279,1346 14.841,1347 23.374,1348 14.336,1349 12.128,1350 24.514,1351 15.092,1352 23.093,1353 0.312,1354 0.148,1355 23.093,1356 10.928,1357 16.547,1358 0.192,1359 0.078,1360 16.547,1361 6.702,1362 12.376,1363 0.118,1364 0.04,1365 12.376,1366 4.205,1367 10.897,1368 0.079,1369 0.022,1370 10.897,1371 3.039,1372 0.298,1373 154.997,1374 0.172,1375 44.573,1376 0.488,1377 256,1378 825.796,1379 287.183,1380 826.046,1381 1110.58,1382 758,1383 288,1384 834.388,1385 315.189,1386 849.516,1387 1196.92,1388 790,1389 6.8}
{0 CHEMBL2000801,1 1.866,2 12.267,3 5.401,4 29.173,5 108.031,6 10.033,7 0.667,8 3.908,9 3.996,10 3.747,11 3.532,12 5.215,13 3.54,14 4.405,15 4.51,16 4.191,17 3.918,18 6.18,19 3.913,20 4.598,21 4.748,22 4.136,23 3.996,24 5.957,25 3.976,26 4.689,27 4.865,28 4.178,29 3.926,30 6.39,31 3.92,32 4.59,33 4.78,34 3.974,35 3.812,36 6.036,37 3.78,38 4.48,39 4.684,40 3.764,41 3.685,42 5.785,43 3.634,44 4.272,45 4.45,46 3.768,47 3.504,48 6.115,49 3.47,50 4.131,51 4.321,52 3.539,53 3.403,54 5.453,55 3.388,56 0.236,57 0.925,58 4.182,59 3.697,60 37.125,61 3.287,62 0.894,63 1.826,64 8.056,65 6.556,66 142.546,67 5.863,68 0.662,69 1.691,70 15.102,71 8.446,72 93.638,73 7.925,74 1.299,75 2.152,76 19.109,77 9.333,78 208.862,79 8.775,80 0.934,81 1.514,82 18.531,83 8.127,84 110.351,85 8.058,86 0.86,87 1.314,88 20.325,89 8.077,90 139.497,91 7.631,92 0.96,93 1.1,94 14.812,95 6.018,96 150.951,97 6.428,98 0.522,99 0.994,100 11.08,101 5.193,102 77.832,103 5.398,104 27,105 48,106 0.319,107 0.593,108 0.714,109 0.838,110 0.868,111 0.876,112 3.44,113 0.861,114 -5.71,115 -5.57,116 -5.2,119 48.8,132 1,142 10,143 4,144 3,145 1,152 1,159 1,172 11,175 1,178 2,179 1,180 4,183 14,188 2,193 4,196 13,200 7,205 5,208 7,213 6,218 5,221 4,225 3,230 3,233 6,238 1,243 2,246 8,250 2,253 1,255 3,258 6,264 1,269 1,272 4,276 1414,277 19.781,278 19.781,279 19.781,280 19.781,281 19.781,282 17.071,283 16.455,284 11.429,285 20.325,286 16.304,287 16.304,288 16.304,289 16.304,290 16.304,291 12.223,292 24.048,293 5.425,294 17.269,295 3.56,296 1.954,297 1.244,298 0.518,299 0.343,300 0.297,301 4.132,305 1,306 1,307 799,308 3.873,311 74.452,312 304.858,315 139.249,319 2.049,320 52.183,323 0.75,324 1,325 1,326 0.4,328 1,329 1,330 0.74,331 68.5,332 368,333 4.575,334 4.474,335 7.24,336 4.251,337 3.377,338 4.51,339 3.825,340 12.181,341 3.082,342 4.547,343 3.562,344 6.693,345 4.118,346 3.136,347 4.049,348 1.656,349 10.84,350 2.985,351 4.063,352 3.135,353 5.783,354 3.661,355 2.702,356 3.677,357 0.247,358 7.933,359 2.586,360 3.88,361 2.977,362 5.611,363 3.502,364 2.554,365 3.185,367 7.657,368 2.404,369 3.696,370 2.629,371 5.439,372 3.304,373 2.364,374 3.046,376 7.093,377 2.203,378 3.472,379 2.398,380 5.203,381 3.064,382 2.138,383 2.707,385 6.296,386 1.944,387 3.232,388 2.297,389 4.683,390 2.783,391 1.804,392 2.447,394 4.974,395 1.725,396 3.048,397 1.552,398 4.52,399 2.536,400 1.549,401 2.322,403 4.357,404 1.529,405 2.947,406 1.528,407 4.032,408 2.436,409 1.468,410 2.137,412 3.539,413 1.406,414 2.583,415 1.429,416 4.009,417 2.115,418 1.154,419 1.616,421 3.136,422 1.092,423 2.5,424 1,425 3.414,426 2,427 1,428 1.5,430 2.275,431 1,432 2.5,433 1,434 3.405,435 1.97,436 1,437 1.5,439 2.231,440 0.968,441 1.988,442 0.846,443 3.177,444 1.468,445 0.526,446 0.755,448 1.334,449 0.487,450 1.468,451 0.636,452 2.991,453 1.145,454 0.23,455 0.271,457 0.575,458 0.206,459 1.319,460 0.51,461 2.869,462 0.915,463 -0.053,464 -0.067,466 -0.128,467 -0.05,468 14.01,469 0.467,470 0.949,471 0.032,472 41.5,473 1.383,474 22.5,475 0.75,476 19,477 0.633,478 21.748,479 0.725,480 31.59,481 0.735,482 34.125,483 1.138,484 8.471,485 0.282,486 5.838,487 0.195,488 0.105,489 0.036,490 0.321,493 3,494 1,496 0.567,497 0.835,498 0.591,499 0.833,500 0.575,501 0.749,502 0.406,503 0.706,504 0.654,505 0.845,506 0.416,507 0.919,508 0.76,509 0.915,510 0.962,511 1.039,512 0.708,513 1.072,514 0.826,515 0.9,516 0.913,517 0.982,518 0.774,519 1.08,520 0.801,521 0.681,522 0.98,523 0.889,524 0.855,525 1.058,526 1.049,527 0.811,528 1.222,529 0.935,530 1.054,531 1.048,532 0.301,533 0.599,534 0.902,535 0.933,536 0.333,537 1.043,538 0.871,539 0.869,540 0.823,541 0.895,542 0.873,543 1.019,544 7.5,545 0.152,546 3.778,547 2.5,548 1.497,549 0.972,550 0.716,551 0.273,552 0.343,553 0.272,554 13186,555 52797,556 2.059,557 30.2,559 10,561 1,562 2,567 1.722,568 1.905,569 3.55,570 0.276,577 80.23,578 1.866,579 3.472,580 4.182,581 4.908,582 5.083,583 5.13,584 2.881,585 4.095,586 4.884,587 3.809,588 1656.9,589 8.479,590 24181.3,595 233.329,596 1.615,597 4.82,598 0.227,599 0.006,600 0.079,601 0.053,602 0.033,603 0.026,604 0.024,605 0.009,606 0.014,607 0.01,608 0.482,609 0.33,610 0.88,611 0.758,612 156.944,613 -0.038,614 -0.026,615 0.031,616 0.022,617 -0.084,618 0.052,619 0.368,620 0.244,621 0.057,622 0.046,623 0.338,624 -0.092,625 -0.08,626 -0.125,627 -0.113,628 -0.122,629 -0.043,630 -0.113,631 0.136,632 0.054,633 0.003,634 -0.059,635 0.178,636 -0.093,637 0.003,638 0.072,639 -0.033,640 0.016,641 -0.047,642 -0.035,643 -0.185,644 -0.006,645 -0.138,646 0.059,647 -0.182,648 0.039,649 0.541,650 0.201,651 0.111,652 0.022,653 0.51,654 -0.018,655 -0.072,656 -0.045,657 0.034,658 -0.021,659 -0.095,660 0.013,661 6.102,662 5.353,663 0.7,664 30.333,665 1.045,666 1.137,667 4.477,668 20.047,669 0.726,670 3.526,671 3.892,672 4.127,673 4.394,674 4.554,675 4.575,676 4.727,677 4.754,678 4.762,679 4.836,680 7.711,681 0.725,682 431.44,683 3.526,684 5.094,685 5.943,686 6.838,687 7.702,688 8.596,689 9.466,690 10.358,691 11.231,692 12.122,693 7,700 2,703 1,708 2,709 11,710 1,713 1,714 6,716 22,734 1,735 43,737 23,738 3,739 33,741 46,742 21,743 19,744 8,745 10,748 4,749 5,753 1,754 1,759 1,762 20,763 1,767 1,772 1,776 1,781 4,783 13,784 8,785 2,786 9,787 1,790 1,792 3,797 0.75,798 1,815 1,816 3,819 1,843 3,845 1,849 4,851 30,860 2,865 1,873 4,874 2.3,877 1,881 15.75,882 7.771,883 6.361,884 2.361,886 4.155,887 1.535,888 1.039,889 5.442,890 11.918,891 3.829,892 4.48,893 5.073,894 5.695,895 6.205,896 6.469,897 6.909,898 7.268,899 7.444,900 7.833,901 0.875,902 47,903 11.84,905 5.91,906 8.403,907 20.017,909 16.499,911 2.903,912 87.083,916 129.482,917 174.407,918 50.998,920 25.145,921 59.84,922 31.052,923 143.355,924 154.627,925 110.838,927 36.022,928 94.762,929 51.892,930 80.692,931 19.982,932 148.763,933 7.76,934 129.482,935 194.353,936 84.985,937 31.052,939 144.442,940 70.025,943 52.828,944 126.548,945 14.976,946 31.052,947 189.323,948 76.142,949 174.407,952 137.242,953 62.838,954 103.81,955 36.022,956 99.961,957 129.482,958 135.983,959 174.407,961 0.596,962 0.338,963 0.183,964 0.093,965 24,966 11,967 0.065,968 3,969 1,970 1.095,971 4.16,972 263.82,973 0.095,974 21,975 138.452,977 1,981 20.305,982 8.04,983 4.469,984 2.087,985 135.983,986 16.959,987 4.193,990 1.403,991 -0.635,993 36.022,994 439.872,995 45,1000 12.119,1004 -0.744,1007 44.945,1008 48.89,1009 0.344,1010 0.64,1011 0.771,1012 0.905,1013 0.937,1014 0.945,1015 5.078,1016 1.549,1017 5.974,1018 4.974,1019 4.575,1020 5.168,1021 3.244,1022 6.828,1023 4.467,1024 6.325,1025 1.468,1026 7.567,1027 4.357,1028 4.369,1029 5.066,1030 3.949,1031 7.978,1032 4.109,1033 7.658,1034 1.154,1035 9.269,1036 3.539,1037 6.256,1038 7.424,1039 5.464,1040 11.013,1041 6.027,1042 9.027,1043 1,1044 11.039,1045 3.136,1046 6.836,1047 8.114,1048 6.701,1049 12.98,1050 6.448,1051 10.425,1052 1,1053 12.854,1054 2.275,1055 8.257,1056 9.975,1057 8.065,1058 15.614,1059 7.877,1060 11.845,1061 0.526,1062 14.7,1063 2.231,1064 9.177,1065 11.054,1066 9.391,1067 17.894,1068 8.658,1069 13.282,1070 0.23,1071 16.57,1072 1.334,1073 10.435,1074 12.701,1075 10.736,1076 20.414,1077 9.891,1078 3.377,1079 -0.053,1080 18.459,1081 0.575,1082 11.506,1083 13.979,1084 12.075,1085 22.815,1086 10.843,1087 3.136,1088 12.181,1089 20.363,1090 -0.128,1091 12.71,1092 15.532,1093 13.417,1094 25.303,1095 11.996,1096 2.702,1097 10.84,1098 22.279,1099 4.51,1100 13.848,1101 16.913,1102 14.758,1103 27.751,1104 13.029,1105 2.554,1106 7.933,1107 24.204,1108 4.049,1109 15.038,1110 18.424,1111 16.1,1112 30.232,1113 14.151,1114 2.364,1115 7.657,1116 26.137,1117 3.677,1118 16.207,1119 19.858,1120 17.441,1121 32.7,1122 15.223,1123 2.138,1124 7.093,1125 28.077,1126 3.185,1127 17.396,1128 21.353,1129 18.783,1130 35.182,1131 16.334,1132 1.804,1133 6.296,1134 30.022,1135 3.046,1136 18.58,1137 22.815,1138 20.124,1139 37.66,1140 17.426,1141 12475,1142 25221,1143 21.671,1144 31.199,1145 50.821,1146 50.816,1147 50.949,1148 50.235,1149 50.002,1150 67.445,1151 11.457,1152 148.842,1153 47.236,1154 5.446,1155 6.474,1156 6.795,1157 5.302,1158 5.377,1159 7.51,1160 5.335,1161 19.593,1162 5.082,1163 16.322,1164 1.54,1165 1.54,1166 1.544,1167 1.522,1168 1.515,1169 2.044,1170 0.347,1171 4.51,1172 1.431,1173 4.098,1174 4.113,1175 4.305,1176 4.086,1177 8.513,1178 4.057,1179 3.956,1180 3.982,1181 3.94,1182 3.859,1183 8.2,1184 3.868,1185 3.836,1186 3.864,1187 3.846,1188 3.781,1189 7.999,1190 3.766,1191 3.462,1192 3.503,1193 3.487,1194 3.239,1195 7.999,1196 3.238,1197 3.297,1198 3.341,1199 3.381,1200 3.148,1201 7.431,1202 3.162,1203 3.264,1204 3.311,1205 3.256,1206 2.994,1207 4.971,1208 3.036,1209 2.985,1210 3.033,1211 2.951,1212 2.879,1213 4.714,1214 2.875,1215 2.854,1216 2.925,1217 2.808,1218 2.735,1219 4.613,1220 2.715,1221 0.139,1222 0.136,1223 0.219,1224 0.129,1225 0.102,1226 4.575,1227 0.137,1228 4.474,1229 0.116,1230 7.24,1231 0.369,1232 4.251,1233 0.093,1234 3.377,1235 4.51,1236 3.825,1237 12.181,1238 3.082,1239 2.009,1240 1.994,1241 2.081,1242 2.066,1243 1.242,1244 2.074,1245 1.896,1246 1.874,1247 1.971,1248 2.012,1249 1.085,1250 1.998,1251 1.777,1252 1.754,1253 1.876,1254 1.864,1255 0.99,1256 1.873,1257 1.292,1258 1.256,1259 1.388,1260 1.594,1261 0.42,1262 1.532,1263 1.224,1264 1.185,1265 1.339,1266 1.409,1267 0.331,1268 1.406,1269 1.075,1270 1.036,1271 1.205,1272 1.382,1273 0.271,1274 1.318,1275 0.961,1276 0.941,1277 1.181,1278 1.102,1279 0.226,1280 1.107,1281 0.886,1282 0.821,1283 1.095,1284 1.062,1285 0.218,1286 1.105,1287 4.205,1289 5.557,1290 2.398,1291 7.091,1292 4.595,1293 8.709,1294 6.605,1295 10.372,1299 51.741,1305 4.812,1310 -4.852,1314 31.187,1315 80.23,1316 149.301,1317 179.845,1318 211.065,1319 218.574,1320 220.574,1321 69.096,1322 7.763,1323 54.02,1324 82.26,1325 23,1326 12.654,1327 4.585,1328 3.7,1329 47.439,1330 143,1331 96,1332 0.162,1333 190.737,1334 334.36,1335 457.159,1336 27900,1337 9.3,1338 21.303,1339 0.71,1340 0.531,1341 18.286,1342 15.943,1343 14.309,1344 0.434,1345 0.287,1346 8.6,1347 13.155,1348 8.438,1349 6.925,1350 13.141,1351 9.47,1352 13.936,1353 0.29,1354 0.151,1355 12.028,1356 7.225,1357 10.765,1358 0.176,1359 0.084,1360 10.036,1361 5.146,1362 9.319,1363 0.116,1364 0.046,1365 8.968,1366 3.663,1367 7.101,1368 0.076,1369 0.025,1370 6.771,1371 2.342,1372 0.262,1373 95.403,1374 0.215,1375 28.786,1376 0.422,1377 162,1378 739.351,1379 213.006,1380 632.713,1381 822.32,1382 584,1383 190,1384 559.148,1385 230.166,1386 560.387,1387 835.12,1388 526,1389 5.1}
{0 CHEMBL2000832,1 1.626,2 14.472,3 4.567,4 20.853,5 133.341,6 8.337,7 0.6,8 4.183,9 4.28,10 3.832,11 3.763,12 5.421,13 3.768,14 4.662,15 4.785,16 4.209,17 4.15,18 5.92,19 4.142,20 4.952,21 5.1,22 4.363,23 4.324,24 6.225,25 4.305,26 5.047,27 5.23,28 4.268,29 4.293,30 6.285,31 4.253,32 5.02,33 5.228,34 4.165,35 4.247,36 6.213,37 4.185,38 4.887,39 5.085,40 4.109,41 4.151,42 6.076,43 4.102,44 4.826,45 4.997,46 4.134,47 4.105,48 6.242,49 4.072,50 4.807,51 5.003,52 4.021,53 4.057,54 6.005,55 4.007,56 0.133,57 0.86,58 9.346,59 5.063,60 14.969,61 5.537,62 0.324,63 1.366,64 16.935,65 8.431,66 29.175,67 9.605,68 0.523,69 1.82,70 24.836,71 11.302,72 61.978,73 12.907,74 0.661,75 1.9,76 30.727,77 12.159,78 81.335,79 14.193,80 0.775,81 1.843,82 32.704,83 12.634,84 101.695,85 15.377,86 0.555,87 1.563,88 27.644,89 11.133,90 71.629,91 13.652,92 0.722,93 1.477,94 24.516,95 9.991,96 113.751,97 11.882,98 0.472,99 1.465,100 25.042,101 10.163,102 61.581,103 12.488,104 27,105 57,106 0.26,107 0.57,108 0.737,109 0.891,110 0.919,111 0.919,112 3.616,113 0.838,114 -4.3,115 -4.24,116 -4,119 48.3,124 1,125 1,142 13,143 5,144 6,158 2,172 15,175 3,178 2,180 8,183 16,188 5,191 1,192 1,193 13,196 12,200 7,203 1,205 9,208 9,213 7,216 1,217 1,218 5,221 14,225 4,228 1,229 1,230 4,233 15,237 1,238 5,241 2,243 5,246 12,250 3,254 1,255 7,258 9,263 1,264 4,267 1,269 5,272 6,276 2386,277 24.35,278 24.35,279 24.35,280 24.35,281 24.35,282 21.229,283 29.411,284 14.055,285 24.731,286 19.663,287 19.663,288 19.663,289 19.663,290 19.663,291 14.764,292 42.298,293 6.604,294 20.196,295 4.232,296 2.299,297 1.256,298 0.289,299 0.116,300 0.116,301 4.322,306 1,307 1137,308 3.464,312 404.289,313 87.794,317 295.066,319 2.665,320 48.006,323 1,324 0.83,325 1,326 0.6,328 1,329 1,330 0.78,331 79,332 521,333 4.487,334 3.629,335 6.546,336 4.128,337 3.143,338 4.157,339 1.081,340 10.356,341 3.094,342 4.326,343 3.558,344 6.246,345 3.939,346 2.956,347 3.98,348 1.058,349 9.416,350 2.912,351 4.204,352 3.153,353 6.17,354 3.822,355 2.833,356 3.816,357 0.86,358 9.086,359 2.797,360 4.044,361 2.991,362 5.901,363 3.635,364 2.659,365 3.648,366 0.473,367 8.158,368 2.593,369 3.893,370 2.936,371 5.867,372 3.529,373 2.555,374 3.29,375 0.4,376 8.019,377 2.478,378 3.797,379 2.804,380 5.499,381 3.438,382 2.449,383 3.167,385 7.419,386 2.405,387 3.39,388 2.494,389 5.171,390 3.047,391 2.076,392 2.593,394 6.192,395 2.007,396 3.303,397 2.451,398 4.754,399 2.931,400 1.984,401 2.553,403 5.327,404 1.859,405 2.933,406 1.983,407 4.399,408 2.484,409 1.536,410 2.105,412 4.174,413 1.465,414 2.88,415 1.888,416 4.233,417 2.451,418 1.477,419 2.01,421 3.834,422 1.417,423 2.859,424 1.688,425 4.188,426 2.413,427 1.426,428 1.963,430 3.738,431 1.399,432 2.758,433 1.437,434 4.145,435 2.308,436 1.321,437 1.842,439 3.612,440 1.3,441 2.665,442 1.373,443 3.868,444 2.181,445 1.186,446 1.732,448 2.826,449 1.175,450 2.587,451 1.344,452 3.484,453 2.079,454 1.067,455 1.568,457 2.604,458 1.074,459 1.771,460 1.05,461 3.123,462 1.476,463 0.53,464 0.615,466 1.171,467 0.482,468 16.819,469 0.467,470 0.938,471 0.026,472 52,473 1.444,474 29,475 0.806,476 23,477 0.639,478 26.78,479 0.744,480 37.181,481 0.641,482 45.219,483 1.256,484 10.7,485 0.297,486 6.706,487 0.186,488 0.106,490 0.386,494 1,496 0.745,497 0.959,498 0.702,499 0.88,500 0.63,501 0.794,502 0.733,503 1.02,504 0.772,505 0.961,506 0.575,507 0.898,508 0.895,509 1.15,510 0.95,511 1.105,512 0.875,513 1.054,514 1.048,515 1.031,516 1.102,517 1.064,518 1.03,519 1.081,520 0.962,521 0.809,522 1.027,523 0.915,524 1.055,525 0.971,526 0.854,527 0.823,528 0.903,529 0.931,530 0.884,531 0.93,532 0.807,533 0.916,534 0.939,535 0.997,536 0.835,537 1.001,538 0.852,539 0.999,540 0.938,541 1.037,542 0.864,543 1.018,544 8,545 0.298,546 4.667,547 2.313,548 2.527,549 1.312,550 0.916,551 0.652,552 0.419,553 0.379,554 21126,555 65105,556 2.103,557 37.9,559 18,562 4,567 1.772,568 1.964,569 3.801,570 1.467,577 94.295,578 1.626,579 3.559,580 4.602,581 5.569,582 5.742,583 5.742,584 3.295,585 5.114,586 5.134,587 4.008,588 2525.09,589 9.015,590 40774.5,595 339.763,596 1.426,597 5.099,598 0.2,599 0.008,600 0.082,601 0.036,602 0.045,603 0.026,604 0.019,605 0.013,606 0.01,607 0.009,608 0.448,610 0.75,611 0.683,612 198.083,613 -0.088,614 0.027,615 0.008,616 0.07,617 -0.087,618 0.071,619 0.005,620 -0.048,621 0.016,622 -0.001,623 0.026,624 0.003,625 -0.03,626 -0.143,627 -0.083,628 -0.144,629 -0.038,630 -0.133,631 -0.128,632 -0.096,633 -0.15,634 -0.114,635 -0.099,636 -0.129,637 -0.046,638 0.128,639 -0.022,640 0.068,641 -0.082,642 0.038,643 -0.022,644 0.047,645 0.072,646 0.051,647 -0.027,648 0.078,649 0.13,650 -0.019,651 0.006,652 -0.032,653 0.171,654 -0.044,655 -0.027,656 -0.117,657 0.032,658 -0.06,659 -0.021,660 -0.016,661 2.034,662 5.945,663 0.75,664 49.198,665 1.017,666 1.118,667 3.069,668 9.42,669 0.696,670 3.714,671 4.06,672 4.344,673 4.595,674 4.875,675 5.03,676 5.187,677 5.338,678 5.561,679 5.749,680 8.46,681 0.682,682 483.53,683 3.714,684 5.273,685 6.133,686 7.017,687 7.891,688 8.778,689 9.658,690 10.547,691 11.432,692 12.323,693 5.2,700 2,701 1,709 13,714 11,716 24,723 2,728 1,732 1,733 1,734 1,735 58,737 26,738 4,739 40,741 62,742 28,743 24,744 11,745 13,746 2,748 5,749 8,762 26,763 2,767 2,772 2,776 2,781 1,783 22,784 8,785 4,786 8,792 3,797 0.6,798 4,816 4,817 1,821 2,843 3,847 1,849 1,851 36,857 1,858 1,860 3,861 1,873 1,874 6.9,876 1,877 2,879 1,881 18.333,882 10.676,883 7.833,884 3.204,886 4.316,887 1.494,888 1.01,889 6.529,890 13.047,891 4.007,892 4.635,893 5.22,894 5.777,895 6.355,896 6.648,897 7.063,898 7.453,899 7.941,900 8.384,901 0.9,902 64,903 13.352,905 5.881,906 8.005,907 24.735,909 20.43,911 2.505,912 90.167,916 211.88,917 184.152,918 54.032,920 103.973,921 14.96,923 184.152,924 315.853,925 68.992,926 10.883,927 38.127,928 123.191,929 102.382,930 67.573,931 14.96,932 211.88,934 211.88,935 238.184,936 118.933,939 226.84,940 103.973,943 56.138,944 182.046,947 226.84,948 158.005,949 184.152,952 211.88,953 50.078,954 134.074,955 54.032,956 118.933,957 211.88,958 172.965,959 184.152,961 0.589,962 0.349,963 0.182,964 0.1,965 28,966 13,967 0.081,968 5,969 2,970 1.148,971 4.625,972 351.792,973 0.148,974 27,975 186.117,981 23.704,982 9.917,983 5.025,985 172.965,986 21.387,991 4.783,993 96.716,994 568.997,995 54,1000 25.631,1004 -0.662,1007 58.963,1008 64.824,1009 0.278,1010 0.608,1011 0.786,1012 0.951,1013 0.98,1014 0.98,1015 5.252,1016 1.984,1017 6.129,1018 6.192,1019 4.745,1020 5.323,1021 2.057,1022 6.944,1023 4.697,1024 6.475,1025 1.536,1026 7.695,1027 5.327,1028 4.369,1029 5.156,1031 7.825,1032 4.304,1033 7.792,1034 1.477,1035 9.355,1036 4.174,1037 6.354,1038 7.526,1039 2.013,1040 10.902,1041 6.271,1042 9.14,1043 1.426,1044 11.067,1045 3.834,1046 6.758,1047 8.119,1049 12.563,1050 6.658,1051 10.514,1052 1.321,1053 12.813,1054 3.738,1055 8.22,1056 9.981,1057 2.059,1058 15.147,1059 8.107,1060 11.908,1061 1.186,1062 14.581,1063 3.612,1064 8.983,1065 10.936,1067 17.143,1068 8.855,1069 13.315,1070 1.067,1071 16.365,1072 2.826,1073 10.231,1074 12.572,1075 2.138,1076 19.544,1077 10.091,1078 3.143,1079 0.53,1080 18.16,1081 2.604,1082 11.168,1083 13.718,1085 21.696,1086 11.012,1087 2.956,1088 10.356,1089 19.964,1090 1.171,1091 12.327,1092 15.239,1093 2.233,1094 24.028,1095 12.159,1096 2.833,1097 9.416,1098 21.775,1099 4.157,1100 13.35,1101 16.49,1103 26.256,1104 13.166,1105 2.659,1106 9.086,1107 23.592,1108 3.98,1109 14.473,1110 17.952,1111 2.339,1112 28.564,1113 14.277,1114 2.555,1115 8.158,1116 25.414,1117 3.816,1118 15.539,1119 19.264,1121 30.831,1122 15.328,1123 2.449,1124 8.019,1125 27.24,1126 3.648,1127 16.651,1128 20.694,1129 2.452,1130 33.135,1131 16.427,1132 2.076,1133 7.419,1134 29.07,1135 3.29,1136 17.74,1137 22.042,1139 35.423,1140 17.501,1141 19799,1142 34895,1143 26.759,1144 40.387,1145 60.488,1146 62.616,1147 62.116,1148 59.856,1149 59.774,1150 79.768,1151 7.744,1152 174.651,1153 58.219,1154 5.366,1155 5.629,1156 6.107,1157 5.158,1158 5.143,1159 7.157,1160 2.162,1161 17.218,1162 5.094,1163 18.584,1164 1.512,1165 1.565,1166 1.553,1167 1.496,1168 1.494,1169 1.994,1170 0.194,1171 4.366,1172 1.455,1173 4.075,1174 4.1,1175 4.037,1176 4,1177 8.201,1178 4.005,1179 3.937,1180 3.962,1181 3.89,1182 3.864,1183 7.431,1184 3.866,1185 3.903,1186 3.927,1187 3.853,1188 3.83,1189 7.427,1190 3.831,1191 3.763,1192 3.779,1193 3.718,1194 3.684,1195 6.47,1196 3.688,1197 3.446,1198 3.497,1199 3.384,1200 3.223,1201 4.854,1202 3.255,1203 3.308,1204 3.346,1205 3.245,1206 3.096,1207 4.738,1208 3.124,1209 3.225,1210 3.288,1211 3.054,1212 2.954,1213 4.646,1214 2.964,1215 3.097,1216 3.158,1217 2.999,1218 2.929,1219 4.582,1220 2.938,1221 0.112,1222 0.091,1223 0.164,1224 0.103,1225 0.079,1226 4.487,1227 0.104,1228 3.629,1229 0.027,1230 6.546,1231 0.259,1232 4.128,1233 0.077,1234 3.143,1235 4.157,1236 1.081,1237 10.356,1238 3.094,1239 1.99,1240 1.974,1241 2.065,1242 2.065,1243 1.206,1244 2.065,1245 1.923,1246 1.898,1247 2.024,1248 2.031,1249 1.152,1250 2.028,1251 1.883,1252 1.859,1253 1.976,1254 1.976,1255 1.097,1256 1.978,1257 1.761,1258 1.745,1259 1.853,1260 1.881,1261 0.953,1262 1.87,1263 1.357,1264 1.306,1265 1.569,1266 1.628,1267 0.669,1268 1.599,1269 1.222,1270 1.183,1271 1.548,1272 1.516,1273 0.574,1274 1.531,1275 1.162,1276 1.099,1277 1.322,1278 1.42,1279 0.34,1280 1.397,1281 1.066,1282 1.017,1283 1.248,1284 1.275,1285 0.318,1286 1.272,1287 4.394,1289 5.733,1291 7.262,1292 2.708,1293 8.874,1294 5.38,1295 10.527,1297 1.481,1299 13.387,1302 9.885,1303 0.175,1305 8.898,1306 5.202,1314 39.575,1315 94.295,1316 206.432,1317 266.902,1318 323.008,1319 333.008,1320 333.008,1321 78.129,1322 8.731,1323 107.21,1324 107.21,1325 31,1326 12.852,1327 4.755,1328 3.907,1329 54.681,1330 185,1331 180,1332 0.146,1333 238.972,1334 424.83,1335 574.85,1336 87539,1337 1.7,1338 25.233,1339 0.701,1340 0.535,1341 24.363,1342 19.263,1343 17.406,1344 0.435,1345 0.279,1346 11.012,1347 16.746,1348 10.779,1349 8.92,1350 17.012,1351 11.176,1352 15.95,1353 0.28,1354 0.146,1355 15.316,1356 8.299,1357 13.747,1358 0.181,1359 0.078,1360 13.427,1361 5.919,1362 11.297,1363 0.115,1364 0.041,1365 10.951,1366 4.046,1367 9.354,1368 0.072,1369 0.022,1370 9.184,1371 2.81,1372 0.233,1373 109.421,1374 0.193,1375 33.281,1376 0.388,1377 194,1378 648.466,1379 213.07,1380 601.855,1381 809.59,1382 560,1383 230,1384 585.379,1385 248.346,1386 590.795,1387 862.75,1388 555,1389 5.5}
{0 CHEMBL2000894,1 1.599,2 9.379,3 2.218,4 4.918,5 110.303,6 8.222,7 0.563,8 3.97,9 4.079,10 3.609,11 3.547,12 5.238,13 3.548,14 4.423,15 4.558,16 3.977,17 3.938,18 5.654,19 3.927,20 4.683,21 4.827,22 4.129,23 4.111,24 5.964,25 4.089,26 4.804,27 4.97,28 4.124,29 4.147,30 6.128,31 4.104,32 4.832,33 5.016,34 4.09,35 4.177,36 6.031,37 4.115,38 4.846,39 5.048,40 4.091,41 4.146,42 6.018,43 4.094,44 4.8,45 4.977,46 4.049,47 4.069,48 6.107,49 4.029,50 4.781,51 4.982,52 3.82,53 3.913,54 6.067,55 3.853,56 0.113,57 0.692,58 7.854,59 3.872,60 14.975,61 4.439,62 0.19,63 1.062,64 13.509,65 6.275,66 21.919,67 7.57,68 0.274,69 1.317,70 18.675,71 8.451,72 45.136,73 10.083,74 0.587,75 1.447,76 23.083,77 9.504,78 77.136,79 11.526,80 0.435,81 1.482,82 24.457,83 10.436,84 65.223,85 13.119,86 0.351,87 1.507,88 25.783,89 10.291,90 51.59,91 13.173,92 0.364,93 1.421,94 23.385,95 9.53,96 53.156,97 11.442,98 0.533,99 1.323,100 25.74,101 9.209,102 96.612,103 10.856,104 28,105 46,106 0.269,107 0.639,108 0.787,109 0.873,110 0.88,111 0.88,112 3.409,113 0.834,114 -3.12,115 -3.11,116 -2.99,119 46.8,120 1,136 1,137 1,142 8,143 4,144 3,145 2,157 1,158 1,163 1,164 1,165 1,169 1,171 1,172 10,175 10,178 1,180 3,183 13,188 7,190 1,191 1,193 3,196 11,198 1,199 3,200 6,203 2,205 2,208 12,213 6,215 2,216 3,218 2,221 16,223 1,225 8,230 5,233 11,235 1,237 1,238 10,243 11,246 12,248 4,250 1,255 7,258 6,260 4,263 1,264 5,267 2,268 1,269 5,274 1,276 1351,277 19.577,278 19.577,279 19.577,280 19.577,281 19.577,282 17.032,283 19.707,284 11.325,285 19.803,286 15.693,287 15.693,288 15.693,289 15.693,290 15.693,291 11.715,292 26.716,293 5.276,294 15.977,295 3.956,296 1.751,297 0.867,298 0.356,299 0.314,300 0.314,301 4.103,305 1,306 1,307 582,308 3,312 307.429,316 119.68,319 1.358,320 34.376,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 63,332 272,333 4.625,334 3.779,335 6.951,336 4.296,337 3.313,338 4.232,339 0.98,340 11.74,341 3.267,342 4.25,343 3.389,344 6.435,345 3.883,346 2.893,347 3.888,348 0.8,349 9.781,350 2.86,351 4.205,352 3.23,353 6.183,354 3.84,355 2.839,356 3.731,358 9.165,359 2.833,360 3.894,361 2.876,362 5.962,363 3.514,364 2.518,365 3.334,367 8.249,368 2.504,369 3.579,370 2.679,371 5.417,372 3.219,373 2.256,374 2.881,376 6.687,377 2.162,378 3.352,379 2.326,380 4.939,381 2.898,382 1.904,383 2.675,385 5.438,386 1.883,387 3.174,388 2.03,389 4.623,390 2.778,391 1.812,392 2.362,394 4.673,395 1.746,396 3.004,397 1.751,398 4.41,399 2.541,400 1.549,401 2.09,403 4.043,404 1.527,405 2.771,406 1.529,407 4.131,408 2.316,409 1.323,410 1.874,412 3.446,413 1.312,414 2.649,415 1.372,416 3.732,417 2.114,418 1.147,419 1.68,421 2.707,422 1.105,423 2.5,424 1.127,425 3.522,426 1.984,427 1,428 1.5,430 2.474,431 0.983,432 2.457,433 1,434 3.332,435 1.94,436 0.946,437 1.363,439 2.136,440 0.937,441 1.889,442 0.937,443 3.247,444 1.474,445 0.461,446 0.583,448 1.008,449 0.463,450 1.469,451 0.848,452 2.771,453 1.162,454 0.126,455 0.159,457 0.2,458 0.128,459 1.18,460 0.23,461 2.618,462 0.78,463 -0.228,464 -0.307,466 -0.543,467 -0.227,468 13.6,469 0.469,470 0.768,471 0.026,472 41.75,473 1.44,474 23.5,475 0.81,476 18.25,477 0.629,478 21.669,479 0.747,480 29.6,481 0.63,482 34.499,483 1.19,484 8.47,485 0.292,486 5.52,487 0.19,488 0.14,490 0.397,496 0.784,497 0.976,498 0.733,499 0.835,500 0.722,501 0.777,502 0.699,503 0.996,504 0.741,505 0.883,506 0.593,507 0.821,508 0.896,509 1.113,510 0.881,511 1.055,512 0.823,513 0.984,514 0.895,515 0.931,516 1.015,517 0.992,518 0.971,519 1.025,520 0.783,521 0.969,522 0.957,523 1.027,524 0.856,525 1.037,526 0.856,527 1.013,528 0.885,529 0.989,530 0.804,531 0.947,532 1.136,533 1.153,534 1.077,535 1.197,536 1.155,537 1.141,538 1.546,539 1.068,540 1.274,541 1.092,542 1.706,543 1.13,544 5.5,545 0.099,546 4,547 2.25,548 2.053,549 1.5,550 1.113,551 0.672,552 0.451,553 0.218,554 9294,555 28916,556 2.07,557 38.3,558 3,559 8,560 1,561 2,562 4,567 1.729,568 1.912,569 3.204,570 1.629,571 1,572 1,577 75.145,578 1.599,579 3.803,580 4.687,581 5.198,582 5.241,583 5.241,584 2.66,585 4.513,586 4.826,587 3.347,588 1358.73,589 8.463,590 17619.1,592 1,594 1,595 261.066,596 1.487,597 4.777,598 0.172,599 0.007,600 0.087,601 0.043,602 0.041,603 0.031,604 0.023,605 0.015,606 0.013,607 0.009,608 0.44,609 0.33,610 1,611 0.94,612 143.389,613 -0.076,614 0.137,615 0.003,616 0.114,617 -0.119,618 0.083,619 -0.008,620 0.078,621 0.051,622 0.081,623 0.004,624 0.084,625 -0.042,626 -0.098,627 -0.031,628 -0.076,629 0.011,630 -0.056,631 0.094,632 0.068,633 -0.099,634 -0.016,635 0.045,636 -0.083,637 0.031,638 -0.006,639 -0.031,640 -0.022,641 -0.028,642 -0.042,643 -0.046,644 -0.042,645 0.074,646 0.006,647 0.008,648 0.057,649 -0.108,650 -0.177,651 -0.129,652 -0.221,653 -0.058,654 -0.186,655 -0.269,656 -0.132,657 -0.229,658 -0.116,659 -0.277,660 -0.157,661 2.333,662 5.919,663 0.759,664 26.193,665 1.012,666 1.118,667 1.887,668 3.559,669 0.696,670 3.497,671 3.85,672 4.174,673 4.466,674 4.771,675 4.942,676 5.142,677 5.288,678 5.425,679 5.438,680 5.769,681 0.679,682 386.44,683 3.497,684 5.056,685 5.932,686 6.832,687 7.73,688 8.64,689 9.548,690 10.464,691 11.377,692 12.297,693 8.5,697 1,700 1,701 1,703 1,709 10,710 1,714 7,716 18,721 1,730 1,732 1,735 47,737 21,738 2,739 32,741 50,742 22,743 17,744 6,745 6,746 4,748 4,749 5,754 1,762 21,763 1,767 3,772 2,774 1,776 3,780 1,783 18,784 7,785 4,786 7,792 4,795 1,797 0.75,798 3,809 1,816 4,820 1,835 1,843 3,847 1,851 29,852 1,857 1,860 1,864 1,874 6.4,876 1,877 2,881 15.167,882 8.683,883 6.389,884 2.565,886 3.469,887 1.446,888 0.998,889 4.888,890 11.244,891 3.807,892 4.425,893 5.045,894 5.616,895 6.207,896 6.558,897 7.05,898 7.489,899 7.926,900 8.245,901 1,902 52,903 10.706,905 4.686,906 7.989,907 19.812,909 16.293,911 2.489,912 72.167,916 164.795,917 143.057,918 70.573,920 92.973,923 143.057,924 257.769,925 70.573,926 8.825,927 26.936,928 108.585,929 143.139,930 42.661,931 11.771,932 129.482,934 164.795,935 213.63,936 92.973,939 164.795,940 92.973,943 47.933,944 148.912,945 16.786,947 164.795,948 163.546,949 143.057,952 164.795,953 31.279,954 114.902,955 17.888,956 142.533,957 164.795,958 163.546,959 143.057,961 0.586,962 0.356,963 0.194,964 0.11,965 23,966 11,967 0.06,968 3,969 1,970 1.091,971 3.835,972 272.766,973 0.091,974 22,975 136.881,981 18.875,982 7.51,983 3.399,985 163.546,986 17.495,987 4.038,991 4.513,993 93.346,994 471.398,995 44,1000 25.112,1002 1.475,1004 -1.138,1007 47.574,1008 52.528,1009 0.288,1010 0.685,1011 0.844,1012 0.936,1013 0.943,1014 0.943,1015 5.053,1016 1.549,1017 5.938,1018 4.673,1019 4.533,1020 5.112,1021 1.356,1022 6.801,1023 4.502,1024 6.282,1025 1.323,1026 7.533,1027 4.043,1028 4.205,1029 4.924,1030 0.325,1031 7.808,1032 4.169,1033 7.604,1034 1.147,1035 9.23,1036 3.446,1037 6.176,1038 7.313,1039 1.195,1040 10.95,1041 6.121,1042 8.963,1043 1,1044 10.987,1045 2.707,1046 6.661,1047 7.914,1048 0.268,1049 12.771,1050 6.604,1051 10.351,1052 0.946,1053 12.78,1054 2.474,1055 8.119,1056 9.781,1057 1.112,1058 15.446,1059 8.043,1060 11.762,1061 0.461,1062 14.599,1063 2.136,1064 8.971,1065 10.759,1066 0.188,1067 17.605,1068 8.891,1069 13.19,1070 0.126,1071 16.437,1072 1.008,1073 10.235,1074 12.396,1075 1.054,1076 20.122,1077 10.138,1078 3.313,1079 -0.228,1080 18.288,1081 0.2,1082 11.257,1083 13.571,1084 0.125,1085 22.434,1086 11.152,1087 2.893,1088 11.74,1089 20.15,1090 -0.543,1091 12.45,1092 15.096,1093 1.007,1094 24.897,1095 12.33,1096 2.839,1097 9.781,1098 22.021,1099 4.232,1100 13.551,1101 16.379,1102 0.082,1103 27.281,1104 13.418,1105 2.518,1106 9.165,1107 23.899,1108 3.888,1109 14.723,1110 17.848,1111 0.969,1112 29.73,1113 14.575,1114 2.256,1115 8.249,1116 25.783,1117 3.731,1118 15.862,1119 19.191,1120 0.054,1121 32.148,1122 15.7,1123 1.904,1124 6.687,1125 27.673,1126 3.334,1127 17.031,1128 20.633,1129 0.935,1130 34.596,1131 16.854,1132 1.812,1133 5.438,1134 29.567,1135 2.881,1136 18.19,1137 22.01,1138 0.035,1139 37.033,1140 17.998,1141 9004,1142 15989,1143 21.096,1144 32.716,1145 49.136,1146 50.795,1147 51.019,1148 48.267,1149 48.175,1150 64.707,1151 3.56,1152 143.493,1153 47.416,1154 5.499,1155 5.779,1156 6.753,1157 5.336,1158 5.313,1159 7.232,1160 1.96,1161 19.457,1162 5.267,1163 15.361,1164 1.535,1165 1.587,1166 1.594,1167 1.508,1168 1.505,1169 2.022,1170 0.111,1171 4.484,1172 1.482,1173 4.08,1174 4.103,1175 4.047,1176 4.006,1177 7.444,1178 4.012,1179 3.897,1180 3.925,1181 3.844,1182 3.831,1183 7.413,1184 3.83,1185 3.794,1186 3.821,1187 3.747,1188 3.69,1189 6.471,1190 3.699,1191 3.579,1192 3.623,1193 3.525,1194 3.428,1195 5.084,1196 3.445,1197 3.242,1198 3.329,1199 3.154,1200 3.027,1201 4.928,1202 3.016,1203 3.185,1204 3.262,1205 3.048,1206 2.922,1207 4.716,1208 2.964,1209 3.058,1210 3.091,1211 2.947,1212 2.871,1213 4.548,1214 2.893,1215 2.856,1216 2.925,1217 2.737,1218 2.735,1219 4.125,1220 2.715,1221 0.145,1222 0.118,1223 0.217,1224 0.134,1225 0.104,1226 4.625,1227 0.132,1228 3.779,1229 0.031,1230 6.951,1231 0.367,1232 4.296,1233 0.102,1234 3.313,1235 4.232,1236 0.98,1237 11.74,1238 3.267,1239 2.024,1240 2.005,1241 2.092,1242 2.114,1243 1.241,1244 2.107,1245 1.888,1246 1.865,1247 1.994,1248 1.981,1249 1.11,1250 1.986,1251 1.756,1252 1.73,1253 1.855,1254 1.887,1255 0.914,1256 1.877,1257 1.507,1258 1.478,1259 1.618,1260 1.72,1261 0.656,1262 1.689,1263 1.205,1264 1.131,1265 1.538,1266 1.457,1267 0.588,1268 1.468,1269 1.097,1270 1.017,1271 1.339,1272 1.427,1273 0.24,1274 1.437,1275 0.978,1276 0.943,1277 1.181,1278 1.206,1279 0.218,1280 1.18,1281 0.886,1282 0.821,1283 1.161,1284 1.062,1285 0.131,1286 1.107,1287 4.174,1289 5.517,1291 7.074,1293 8.729,1295 10.436,1297 1.842,1301 5.269,1302 9.77,1305 2.027,1309 1.765,1314 31.918,1315 75.145,1316 178.747,1317 220.311,1318 244.311,1319 246.311,1320 246.311,1321 59.458,1322 7.775,1323 110.24,1324 110.24,1325 24,1326 12.807,1327 4.459,1328 3.7,1329 44.211,1330 97,1331 109,1332 0.222,1333 196.266,1334 345.71,1335 470.648,1336 23133,1338 20.543,1339 0.708,1340 0.537,1341 20.543,1342 15.586,1343 13.99,1344 0.437,1345 0.278,1346 8.79,1347 13.497,1348 8.572,1349 7.125,1350 13.99,1351 8.901,1352 12.666,1353 0.275,1354 0.145,1355 12.666,1356 6.654,1357 11.18,1358 0.175,1359 0.076,1360 11.18,1361 4.834,1362 9.333,1363 0.109,1364 0.04,1365 9.333,1366 3.398,1367 7.72,1368 0.066,1369 0.02,1370 7.72,1371 2.355,1372 0.334,1373 87.623,1374 0.218,1375 26.763,1376 0.659,1377 156,1378 474.556,1379 168.639,1380 465.758,1381 633.84,1382 432,1383 188,1384 468.165,1385 201.085,1386 477.553,1387 697.88,1388 449,1389 5.4}
{0 CHEMBL2001224,1 1.738,2 11,3 3.605,4 12.992,5 96.578,6 8.451,7 0.429,8 3.891,9 4.004,10 3.555,11 3.427,12 5.074,13 3.423,14 4.418,15 4.579,16 3.922,17 3.801,18 5.571,19 3.769,20 4.685,21 4.89,22 3.964,23 3.877,24 5.826,25 3.817,26 4.604,27 4.822,28 3.859,29 3.756,30 5.791,31 3.699,32 4.465,33 4.635,34 3.878,35 3.721,36 5.758,37 3.693,38 4.533,39 4.725,40 3.885,41 3.81,42 5.696,43 3.75,44 4.645,45 4.871,46 3.838,47 3.854,48 5.723,49 3.751,50 4.635,51 4.871,52 3.787,53 3.719,54 5.87,55 3.613,56 0.081,57 0.664,58 7.287,59 3.623,60 12.27,61 4.467,62 0.3,63 1.019,64 15.331,65 6.457,66 30.277,67 8.27,68 0.549,69 1.168,70 25.341,71 8.34,72 58.343,73 10.549,74 0.578,75 1.02,76 28.143,77 7.897,78 60.964,79 10.145,80 0.589,81 0.975,82 19.453,83 6.396,84 57.684,85 7.902,86 0.437,87 1.072,88 20.201,89 6.955,90 53.135,91 8.955,92 0.392,93 1.107,94 25.983,95 8.674,96 52.248,97 11.649,98 0.693,99 0.975,100 31.131,101 8.122,102 103.199,103 10.491,104 18,105 38,106 0.301,107 0.673,108 0.792,109 0.847,110 0.847,111 0.847,112 3.304,113 0.932,114 -3.15,115 -3.14,116 -3.02,119 40.9,120 1,121 4,127 1,142 2,143 1,144 3,145 2,146 1,147 1,158 1,159 1,172 5,175 3,178 3,179 1,180 1,183 7,187 2,188 4,191 2,193 1,196 4,199 2,200 2,203 1,205 3,208 2,212 2,213 2,216 2,218 4,221 6,225 3,228 1,230 4,233 6,237 1,238 5,243 3,246 4,249 2,250 5,253 1,255 2,258 2,264 5,276 1110,277 17.472,278 17.472,279 17.472,280 17.472,281 17.472,282 15.673,283 22.43,284 10.362,285 17.92,286 13.766,287 13.766,288 13.766,289 13.766,290 13.766,291 10.969,292 30.145,293 4.899,294 14.58,295 3.721,296 1.569,297 0.881,298 0.563,299 0.563,300 0.563,301 3.983,302 1,304 1,305 1,306 1,307 607,308 3.24,311 72.532,312 187.704,319 1.615,320 29.502,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 56.833,332 286,333 4.378,334 4.057,335 6.303,336 3.97,337 3.024,338 4.055,339 2.035,340 9.625,341 2.849,342 4.114,343 3.578,344 5.725,345 3.633,346 2.691,347 3.698,348 1.656,349 7.626,350 2.53,351 3.816,352 3.289,353 5.549,354 3.492,355 2.555,356 3.13,357 0.86,358 7.481,359 2.395,360 3.708,361 2.983,362 5.343,363 3.382,364 2.424,365 2.963,366 0.247,367 6.91,368 2.306,369 3.505,370 2.639,371 5.204,372 3.178,373 2.227,374 2.611,376 6.496,377 2.099,378 3.337,379 2.507,380 4.795,381 2.871,382 1.909,383 2.429,385 5.36,386 1.82,387 2.998,388 2.199,389 4.451,390 2.559,391 1.598,392 2.147,394 4.433,395 1.495,396 2.919,397 1.974,398 3.593,399 2.145,400 1.194,401 1.5,403 2.678,404 1.118,405 2.5,406 1.57,407 3.414,408 1.917,409 1,410 1.231,412 2.275,413 0.915,414 2.238,415 1.152,416 3.269,417 1.618,418 0.678,419 1.078,421 1.688,422 0.618,423 1.809,424 1,425 3,426 1.572,427 0.618,428 0.715,430 1.372,431 0.58,432 1.618,433 0.711,434 2.91,435 1.476,436 0.558,437 0.618,439 0.936,440 0.493,441 1.341,442 0.618,443 2.7,444 0.837,445 -0.071,446 -0.092,448 -0.154,449 -0.062,450 1.023,451 0.384,452 2.547,453 0.666,454 -0.283,455 -0.326,457 -0.744,458 -0.264,459 0.832,460 0.073,461 2.375,462 0.511,463 -0.398,464 -0.513,466 -0.948,467 -0.307,468 12.381,469 0.476,470 0.626,471 0.024,472 35.25,473 1.356,474 18,475 0.692,476 17.25,477 0.663,478 20.899,479 0.804,480 27.819,481 0.632,482 24.438,483 0.94,484 6.5,485 0.25,486 6.046,487 0.233,488 0.157,490 0.323,496 0.778,497 1.364,498 0.612,499 1.02,500 0.525,501 0.903,502 0.707,503 1.15,504 0.676,505 1.026,506 0.453,507 0.971,508 1.21,509 0.985,510 0.947,511 0.973,512 0.805,513 0.986,514 1.244,515 0.877,516 1.126,517 0.965,518 0.891,519 0.884,520 1.067,521 1.041,522 0.903,523 1.004,524 1.113,525 0.981,526 0.917,527 1.078,528 0.879,529 1.082,530 0.9,531 1.083,532 0.835,533 1.093,534 0.997,535 1.117,536 0.825,537 1.084,538 1.367,539 0.817,540 1.359,541 0.96,542 1.404,543 0.981,544 6,545 0.081,546 2.444,547 1.472,548 1.502,549 0.75,550 0.745,551 0.352,552 0.286,553 0.173,554 7993,555 25052,556 2.037,557 40.9,558 7,559 3,561 2,562 2,564 4,567 1.692,568 1.902,569 3.409,570 0.327,572 1,577 76.488,578 1.738,579 3.891,580 4.579,581 4.897,582 4.897,583 4.897,584 2.888,585 4.21,586 4.67,587 3.578,588 1162.84,589 8.1,590 14815.1,592 1,594 1,595 240.215,596 1.42,597 4.628,598 0.214,599 0.005,600 0.064,601 0.041,602 0.046,603 0.022,604 0.023,605 0.011,606 0.011,607 0.009,608 0.445,609 0.33,610 1,611 0.777,612 128.063,613 -0.078,614 -0.174,615 0.016,616 -0.054,617 0.013,618 -0.001,619 0.142,620 -0.073,621 0.073,622 -0.058,623 0.136,624 -0.031,625 -0.067,626 -0.022,627 -0.004,628 -0.008,629 0.009,630 -0.029,631 -0.029,632 0.029,633 0.015,634 0.039,635 0.049,636 0.108,637 0.165,638 -0.03,639 -0.013,640 -0.047,641 0.059,642 -0.063,643 0.006,644 -0.047,645 -0.023,646 -0.122,647 0.009,648 -0.133,649 0.012,650 -0.164,651 0.016,652 -0.103,653 0.026,654 -0.057,655 -0.088,656 0.052,657 -0.06,658 0.056,659 -0.03,660 0.023,661 2.166,662 5.268,663 0.654,664 24.183,665 1.015,666 1.131,667 1.917,668 3.673,669 0.685,670 3.367,671 3.664,672 3.871,673 4.078,674 4.248,675 4.277,676 4.344,677 4.344,678 4.317,679 4.357,680 6.477,681 0.66,682 371.86,683 3.367,684 4.89,685 5.714,686 6.569,687 7.41,688 8.269,689 9.117,690 9.977,691 10.83,692 11.691,693 11.4,700 2,702 1,703 2,709 4,710 2,714 6,716 12,718 1,733 1,734 1,735 44,737 14,738 1,739 28,741 46,742 18,743 10,744 4,745 2,748 3,749 3,750 1,753 1,754 1,757 5,760 5,761 1,762 11,763 6,767 1,772 1,776 1,779 1,780 1,783 18,784 7,785 2,786 8,787 1,792 5,797 1,798 2,806 1,815 1,816 2,843 3,847 1,848 1,851 26,858 4,860 2,861 1,863 1,866 1,870 1,872 1,873 1,874 4.5,877 1,879 1,881 13.667,882 8.243,883 5.806,884 2.729,886 2.442,887 1.351,888 0.962,889 5.924,890 9.393,891 3.638,892 4.159,893 4.649,894 5.14,895 5.632,896 5.755,897 5.912,898 6.028,899 6.01,900 6.373,901 1,902 36,903 9.569,905 4.024,906 7.927,907 17.956,909 14.419,911 2.427,912 63.111,915 1,916 188.338,917 96.659,918 100.652,919 39.149,920 36.145,923 96.659,924 263.631,925 100.652,926 8.825,927 46.16,928 18.952,929 98.86,930 77.597,931 6.604,932 164.795,933 39.149,934 188.338,935 197.311,936 36.145,937 39.149,939 141.253,940 83.229,943 106.896,944 56.844,945 72.72,947 188.338,948 136.797,949 135.808,952 188.338,953 34.185,954 45.873,955 52.623,956 139.924,957 188.338,958 136.797,959 135.808,961 0.576,962 0.33,963 0.169,964 0.09,965 17,966 8,967 0.087,968 4,970 1,971 3.825,972 208.289,974 17,975 118.211,981 18.441,982 8.353,983 4.855,985 136.797,986 6.103,987 7.811,991 2.916,993 36.022,994 460.942,995 37,1000 12.268,1004 -0.5,1007 44.673,1008 49.761,1009 0.318,1010 0.713,1011 0.839,1012 0.897,1013 0.897,1014 0.897,1015 4.875,1016 1.194,1017 5.687,1018 4.433,1019 4.344,1020 4.844,1021 2.745,1022 6.438,1023 4.227,1024 6.07,1025 1,1026 7.212,1027 2.678,1028 3.892,1029 4.605,1030 1.195,1031 7.182,1032 3.701,1033 7.361,1034 0.678,1035 8.827,1036 2.275,1037 5.889,1038 6.954,1039 3.841,1040 10.225,1041 5.659,1042 8.68,1043 0.618,1044 10.495,1045 1.688,1046 6.217,1047 7.494,1048 2.324,1049 11.739,1050 5.908,1051 10.025,1052 0.558,1053 12.193,1054 1.372,1055 7.675,1056 9.338,1057 5.126,1058 14.295,1059 7.326,1060 11.388,1061 -0.071,1062 13.913,1063 0.936,1064 8.366,1065 10.248,1066 3.407,1067 16.165,1068 7.94,1069 12.766,1070 -0.283,1071 15.649,1072 -0.154,1073 9.601,1074 11.874,1075 6.48,1076 18.538,1077 9.13,1078 3.024,1079 -0.398,1080 17.397,1081 -0.744,1082 10.478,1083 12.984,1084 4.464,1085 20.594,1086 9.934,1087 2.691,1088 9.625,1089 19.155,1090 -0.948,1091 11.616,1092 14.5,1093 7.863,1094 22.894,1095 11.023,1096 2.555,1097 7.626,1098 20.921,1099 4.055,1100 12.589,1101 15.725,1102 5.504,1103 25.048,1104 11.928,1105 2.424,1106 7.481,1107 22.694,1108 3.698,1109 13.689,1110 17.182,1111 9.26,1112 27.319,1113 12.974,1114 2.227,1115 6.91,1116 24.474,1117 3.13,1118 14.714,1119 18.475,1120 6.531,1121 29.525,1122 13.934,1123 1.909,1124 6.496,1125 26.26,1126 2.963,1127 15.8,1128 19.899,1129 10.666,1130 31.788,1131 14.964,1132 1.598,1133 5.36,1134 28.051,1135 2.611,1136 16.854,1137 21.231,1138 7.551,1139 34.02,1140 15.955,1141 7807,1142 14026,1143 18.493,1144 30.125,1145 42.206,1146 44.75,1147 41.968,1148 41.087,1149 40.951,1150 52.352,1151 9.596,1152 113.759,1153 38.436,1154 5.319,1155 6.057,1156 5.917,1157 5.068,1158 5.024,1159 7.055,1160 4.069,1161 16.351,1162 4.849,1163 13.119,1164 1.507,1165 1.598,1166 1.499,1167 1.467,1168 1.463,1169 1.87,1170 0.343,1171 4.063,1172 1.373,1173 3.983,1174 4.01,1175 4.039,1176 3.891,1177 7.431,1178 3.893,1179 3.856,1180 3.907,1181 3.836,1182 3.711,1183 6.821,1184 3.713,1185 3.814,1186 3.862,1187 3.712,1188 3.681,1189 4.97,1190 3.696,1191 3.464,1192 3.513,1193 3.481,1194 3.209,1195 4.936,1196 3.252,1197 3.195,1198 3.262,1199 3.289,1200 3.024,1201 4.608,1202 3.035,1203 3.059,1204 3.109,1205 3.099,1206 2.834,1207 4.226,1208 2.852,1209 2.983,1210 3.029,1211 2.933,1212 2.8,1213 4.07,1214 2.812,1215 2.869,1216 2.979,1217 2.697,1218 2.671,1219 3.984,1220 2.635,1221 0.156,1222 0.145,1223 0.225,1224 0.142,1225 0.108,1226 4.378,1227 0.145,1228 4.057,1229 0.073,1230 6.303,1231 0.344,1232 3.97,1233 0.102,1234 3.024,1235 4.055,1236 2.035,1237 9.625,1238 2.849,1239 1.906,1240 1.889,1241 1.984,1242 2.019,1243 1.211,1244 2.008,1245 1.762,1246 1.715,1247 1.86,1248 1.952,1249 1.191,1250 1.924,1251 1.577,1252 1.507,1253 1.829,1254 1.751,1255 1.109,1256 1.793,1257 1.547,1258 1.496,1259 1.789,1260 1.728,1261 0.755,1262 1.75,1263 1.336,1264 1.284,1265 1.546,1266 1.619,1267 0.61,1268 1.584,1269 1.15,1270 1.087,1271 1.334,1272 1.372,1273 0.265,1274 1.385,1275 0.937,1276 0.886,1277 1.105,1278 1.198,1279 0.136,1280 1.167,1281 0.832,1282 0.804,1283 1.035,1284 1.006,1285 0.094,1286 1.025,1287 4.043,1289 5.342,1290 2.398,1291 6.819,1292 4.443,1293 8.379,1294 6.26,1295 9.984,1297 1.889,1298 6.199,1303 4.317,1305 5.302,1306 6.058,1308 0.156,1312 8.723,1313 1.867,1314 29.052,1315 76.488,1316 171.195,1317 201.46,1318 215.46,1319 215.46,1320 215.46,1321 49.519,1322 6.951,1323 99.93,1324 99.93,1325 17,1326 12.242,1327 3.907,1328 3.322,1329 44.292,1330 98,1331 118,1332 0.214,1333 185.203,1334 325.11,1335 443.654,1336 9417,1337 2.3,1338 18.518,1339 0.712,1340 0.577,1341 19.018,1342 15.007,1343 12.546,1344 0.448,1345 0.311,1346 8.232,1347 11.761,1348 8.021,1349 6.658,1350 12.835,1351 8.697,1352 11.204,1353 0.295,1354 0.171,1355 11.575,1356 6.507,1357 9.082,1358 0.193,1359 0.096,1360 9.485,1361 4.52,1362 7.114,1363 0.123,1364 0.05,1365 7.333,1366 2.92,1367 5.394,1368 0.078,1369 0.023,1370 5.625,1371 1.599,1372 0.336,1373 81.924,1374 0.233,1375 25.283,1376 0.583,1377 132,1378 435.276,1379 162.406,1380 450.868,1381 595.66,1382 418,1383 151,1384 409.708,1385 177.016,1386 422.483,1387 610.06,1388 396,1389 5.1}
{0 CHEMBL2001228,1 1.793,2 15.841,3 7.076,4 50.063,5 169.713,6 9.075,7 0.66,8 4.373,9 4.474,10 4.138,11 3.979,12 5.54,13 3.967,14 4.886,15 5.022,16 4.536,17 4.367,18 6.059,19 4.346,20 5.115,21 5.295,22 4.608,23 4.487,24 6.26,25 4.444,26 5.135,27 5.316,28 4.618,29 4.487,30 6.399,31 4.437,32 5.168,33 5.355,34 4.695,35 4.541,36 6.348,37 4.488,38 5.171,39 5.349,40 4.753,41 4.583,42 6.321,43 4.509,44 5.166,45 5.352,46 4.68,47 4.521,48 6.353,49 4.448,50 5.093,51 5.292,52 4.489,53 4.413,54 6.223,55 4.346,56 0.122,57 1.122,58 9.643,59 5.717,60 11.134,61 6.233,62 0.463,63 1.854,64 21.585,65 9.719,66 30.653,67 10.595,68 0.666,69 2.221,70 32.38,71 12.928,72 53.073,73 14.581,74 0.798,75 2.26,76 35.386,77 13.407,78 97.488,79 15.594,80 0.789,81 2.287,82 37.474,83 13.874,84 79.427,85 15.843,86 0.674,87 2.305,88 39.936,89 14.832,90 56.347,91 16.478,92 0.797,93 2.271,94 42.703,95 14.676,96 77.659,97 16.87,98 0.741,99 2.11,100 40.764,101 13.304,102 62.882,103 15.05,104 10,105 71,106 0.275,107 0.609,108 0.758,109 0.858,110 0.891,111 0.891,112 3.81,113 0.909,114 -4.85,115 -4.76,116 -4.47,119 46.4,125 4,142 12,143 2,144 5,145 1,146 2,150 1,151 2,152 1,158 1,162 1,172 9,174 2,175 8,178 3,180 4,183 10,187 2,188 5,193 5,196 6,199 1,200 13,203 1,205 5,208 4,212 1,213 13,216 2,218 1,221 7,224 3,225 8,228 2,230 1,233 12,237 1,238 7,241 2,243 4,246 11,249 1,250 8,255 2,258 8,263 4,264 9,267 1,268 1,269 1,272 8,276 4594,277 30.43,278 30.43,279 30.43,280 30.43,281 30.43,282 26.405,283 29.023,284 17.979,285 31.417,286 24.737,287 24.737,288 24.737,289 24.737,290 24.737,291 18.694,292 44.533,293 8.549,294 26.433,295 4.315,296 2.132,297 1.156,298 0.504,299 0.29,300 0.29,301 4.532,302 1,306 1,307 1559,308 3.464,311 206.381,312 668.884,314 167.878,319 2.568,320 47.18,323 0.75,324 0.5,325 0.83,326 0.3,328 0.83,329 1,330 0.6,331 95.333,332 697,333 4.755,334 3.633,335 7.061,336 4.294,337 3.353,338 4.691,339 1.058,340 12.2,341 3.161,342 4.373,343 3.408,344 6.494,345 3.979,346 3.014,347 4.035,348 0.86,349 10.034,350 2.923,351 4.264,352 3.154,353 6.371,354 3.855,355 2.906,356 3.899,357 0.8,358 9.571,359 2.76,360 4.195,361 3.137,362 6.17,363 3.819,364 2.873,365 3.777,366 0.4,367 9.189,368 2.685,369 4.036,370 2.879,371 5.849,372 3.573,373 2.663,374 3.638,376 8.145,377 2.421,378 3.708,379 2.815,380 5.669,381 3.323,382 2.395,383 3.101,385 7.562,386 2.218,387 3.592,388 2.491,389 5.478,390 3.232,391 2.277,392 2.859,394 7.12,395 2.159,396 3.41,397 2.334,398 5.062,399 2.982,400 2.049,401 2.685,403 6.006,404 1.897,405 3.295,406 2.244,407 4.895,408 2.863,409 1.889,410 2.548,412 5.222,413 1.824,414 2.967,415 2.032,416 4.573,417 2.653,418 1.73,419 2.115,421 4.396,422 1.592,423 2.9,424 1.836,425 4.528,426 2.392,427 1.431,428 2.081,430 4.168,431 1.373,432 2.867,433 1.663,434 4.358,435 2.379,436 1.421,437 2.019,439 4.087,440 1.349,441 2.861,442 1.548,443 3.907,444 2.343,445 1.414,446 2.012,448 3.173,449 1.287,450 2.848,451 1.456,452 3.772,453 2.326,454 1.414,455 1.968,457 3.055,458 1.253,459 2.656,460 1.4,461 3.572,462 2.211,463 1.259,464 1.716,466 2.812,467 1.193,468 21.3,469 0.484,470 0.969,471 0.022,472 63.25,473 1.438,474 33,475 0.75,476 30.25,477 0.688,478 38.901,479 0.884,480 44.7,481 0.648,482 54.988,483 1.25,484 12.462,485 0.283,486 9.085,487 0.206,488 0.063,490 0.343,494 1,496 0.728,497 1.168,498 0.602,499 0.886,500 0.558,501 0.807,502 0.875,503 1.068,504 0.777,505 0.941,506 0.623,507 0.884,508 1.041,509 1.037,510 0.837,511 0.848,512 0.899,513 0.877,514 0.939,515 1.047,516 0.966,517 0.945,518 0.946,519 0.976,520 0.947,521 0.876,522 0.877,523 0.819,524 0.984,525 0.834,526 0.842,527 0.916,528 0.936,529 0.928,530 0.721,531 0.926,532 0.895,533 1.091,534 1.148,535 1.091,536 0.8,537 1.019,538 1.023,539 0.984,540 1.207,541 1.009,542 0.877,543 0.969,544 7,545 0.391,546 4.667,547 3.444,548 2.206,549 1.522,550 1.063,551 0.654,552 0.525,553 0.375,554 36554,555 107319,556 2.19,557 36.2,559 20,560 2,561 1,562 2,567 1.825,568 2.095,569 3.908,570 0.149,577 123.74,578 1.793,579 3.976,580 4.952,581 5.605,582 5.819,583 5.819,584 3.383,585 5.079,586 5.427,587 4.1,588 3879.04,589 9.627,590 71249.2,595 421.488,596 1.242,597 5.411,598 0.14,599 0.006,600 0.066,601 0.047,602 0.03,603 0.02,604 0.014,605 0.009,606 0.008,607 0.006,608 0.346,609 0.17,610 0.75,611 0.388,612 255.031,613 -0.064,614 -0.161,615 0.038,616 -0.025,617 -0.05,618 0.008,619 -0.011,620 -0.06,621 -0.004,622 -0.04,623 0.007,624 -0.033,625 -0.083,626 -0.039,627 0.03,628 0.061,629 -0.019,630 0.051,631 0.055,632 -0.036,633 -0.006,634 -0.037,635 0.147,636 -0.036,637 -0.024,638 0.082,639 0.097,640 0.122,641 -0.025,642 0.116,643 -0.009,644 0.026,645 0.105,646 0.075,647 -0.007,648 0.032,649 0.039,650 -0.116,651 0.012,652 -0.075,653 0.051,654 -0.035,655 -0.099,656 -0.015,657 -0.11,658 -0.026,659 -0.067,660 0.004,661 2.283,662 6.257,663 0.864,664 61.192,665 1.016,666 1.12,667 3.624,668 13.136,669 0.725,670 3.932,671 4.277,672 4.605,673 4.92,674 5.153,675 5.278,676 5.481,677 5.624,678 5.781,679 5.919,680 9.076,681 0.699,682 626.16,683 3.932,684 5.493,685 6.368,686 7.263,687 8.154,688 9.057,689 9.955,690 10.863,691 11.767,692 12.678,693 10.1,699 1,700 1,701 2,703 3,708 1,709 15,710 3,713 1,714 11,716 33,723 1,728 1,730 1,734 2,735 69,737 34,738 3,739 50,741 75,742 32,743 27,744 7,745 11,746 1,748 7,749 8,750 1,762 28,763 4,767 1,772 1,776 1,781 1,783 25,784 9,785 2,786 12,787 2,789 1,792 7,797 0.857,798 2,810 1,815 2,816 5,818 1,842 1,843 6,845 1,848 1,849 1,851 44,858 4,860 2,861 1,864 1,868 1,873 2,874 2.9,877 1,878 1,881 21,882 12.536,883 9.528,884 4.048,886 6.511,887 1.678,888 1.051,889 8.172,890 16.117,891 4.227,892 4.868,893 5.508,894 6.152,895 6.692,896 7.072,897 7.586,898 8.01,899 8.475,900 8.897,901 0.909,902 74,903 16.308,905 7.178,906 7.775,907 30.851,909 25.78,911 2.275,912 100.111,916 270.735,917 226.27,918 90.789,919 39.149,920 36.145,921 14.96,922 31.278,923 194.992,924 346.029,925 105.749,927 31.407,928 130.411,929 102.977,930 64.245,931 43.158,932 266.7,933 39.149,934 270.735,935 285.781,936 51.105,937 70.426,939 285.695,940 25.145,941 11,943 67.164,944 168.26,945 89.505,946 31.278,947 285.695,948 126.934,949 265.418,952 270.735,953 86.811,954 143.87,955 36.022,956 140.61,957 270.735,958 141.894,959 265.418,961 0.582,962 0.351,963 0.2,964 0.106,965 36,966 15,967 0.093,968 7,969 1,970 1.053,971 5.265,972 484.114,973 0.053,974 38,975 236.215,977 1,981 28.716,982 12.522,983 5.906,984 0.748,985 140.607,986 26.558,987 14.199,990 1.478,991 4.835,993 36.022,994 678.048,995 67.5,1000 12.861,1004 -0.6,1007 70.116,1008 77.263,1009 0.294,1010 0.651,1011 0.811,1012 0.918,1013 0.953,1014 0.953,1015 5.469,1016 2.049,1017 6.351,1018 7.12,1019 4.963,1020 5.557,1021 1.792,1022 7.192,1023 4.838,1024 6.684,1025 1.889,1026 7.923,1027 6.006,1028 4.511,1029 5.338,1030 0.325,1031 8.138,1032 4.318,1033 7.998,1034 1.73,1035 9.598,1036 5.222,1037 6.578,1038 7.797,1039 1.632,1040 11.293,1041 6.347,1042 9.352,1043 1.431,1044 11.336,1045 4.396,1046 6.995,1047 8.458,1048 0.268,1049 13.113,1050 6.692,1051 10.741,1052 1.421,1053 13.116,1054 4.168,1055 8.498,1056 10.354,1057 1.589,1058 15.783,1059 8.164,1060 12.156,1061 1.414,1062 14.925,1063 4.087,1064 9.315,1065 11.438,1066 0.188,1067 17.966,1068 8.912,1069 13.591,1070 1.414,1071 16.756,1072 3.173,1073 10.598,1074 13.103,1075 1.592,1076 20.485,1077 10.158,1078 3.353,1079 1.259,1080 18.602,1081 3.055,1082 11.601,1083 14.4,1084 0.125,1085 22.83,1086 11.098,1087 3.014,1088 12.2,1089 20.461,1090 2.812,1091 12.801,1092 15.968,1093 1.624,1094 25.309,1095 12.255,1096 2.906,1097 10.034,1098 22.331,1099 4.691,1100 13.891,1101 17.374,1102 0.082,1103 27.728,1104 13.285,1105 2.873,1106 9.571,1107 24.21,1108 4.035,1109 15.064,1110 18.906,1111 1.676,1112 30.203,1113 14.41,1114 2.663,1115 9.189,1116 26.096,1117 3.899,1118 16.197,1119 20.369,1120 0.054,1121 32.658,1122 15.485,1123 2.395,1124 8.145,1125 27.989,1126 3.777,1127 17.366,1128 21.891,1129 1.742,1130 35.138,1131 16.602,1132 2.277,1133 7.562,1134 29.887,1135 3.638,1136 18.522,1137 23.386,1138 0.035,1139 37.613,1140 17.7,1141 33208,1142 57218,1143 34.501,1144 50.006,1145 75.967,1146 77.416,1147 77.365,1148 75.327,1149 75.294,1150 100.926,1151 6.237,1152 219.638,1153 70.367,1154 5.755,1155 5.633,1156 6.863,1157 5.438,1158 5.353,1159 7.691,1160 2.117,1161 19.868,1162 5.161,1163 15.932,1164 1.519,1165 1.548,1166 1.547,1167 1.507,1168 1.506,1169 2.019,1170 0.125,1171 4.393,1172 1.407,1173 4.162,1174 4.196,1175 4.363,1176 4.071,1177 8.201,1178 4.06,1179 3.963,1180 4.003,1181 4.028,1182 3.87,1183 7.429,1184 3.869,1185 3.941,1186 3.967,1187 3.912,1188 3.851,1189 5.111,1190 3.855,1191 3.839,1192 3.864,1193 3.867,1194 3.791,1195 4.946,1196 3.775,1197 3.761,1198 3.814,1199 3.762,1200 3.613,1201 4.852,1202 3.617,1203 3.659,1204 3.704,1205 3.552,1206 3.475,1207 4.743,1208 3.484,1209 3.326,1210 3.36,1211 3.345,1212 3.154,1213 4.623,1214 3.161,1215 3.161,1216 3.206,1217 3.314,1218 3.048,1219 4.58,1220 3.049,1221 0.095,1222 0.073,1223 0.141,1224 0.086,1225 0.067,1226 4.755,1227 0.094,1228 3.633,1229 0.021,1230 7.061,1231 0.244,1232 4.294,1233 0.063,1234 3.353,1235 4.691,1236 1.058,1237 12.2,1238 3.161,1239 1.941,1240 1.92,1241 2.033,1242 2.066,1243 1.237,1244 2.056,1245 1.918,1246 1.885,1247 2.006,1248 2.029,1249 1.137,1250 2.024,1251 1.875,1252 1.854,1253 1.962,1254 1.981,1255 1.054,1256 1.971,1257 1.769,1258 1.728,1259 1.869,1260 1.92,1261 1.022,1262 1.915,1263 1.628,1264 1.574,1265 1.826,1266 1.832,1267 0.915,1268 1.834,1269 1.471,1270 1.417,1271 1.589,1272 1.695,1273 0.825,1274 1.665,1275 1.367,1276 1.363,1277 1.513,1278 1.504,1279 0.638,1280 1.488,1281 1.225,1282 1.195,1283 1.36,1284 1.397,1285 0.532,1286 1.429,1287 4.615,1289 5.953,1290 3.045,1291 7.488,1292 5.416,1293 9.113,1294 7.535,1295 10.785,1298 6.875,1299 14.257,1303 3.093,1305 6.078,1306 5.491,1309 2.286,1314 48.245,1315 123.74,1316 274.356,1317 341.714,1318 386.733,1319 401.488,1320 401.488,1321 77.849,1322 9.606,1323 96.68,1324 124.92,1325 40,1326 13.194,1327 5.129,1328 4.209,1329 60.129,1330 232,1331 266,1332 0.12,1333 295.348,1334 502.37,1335 712.409,1336 281333,1337 2.9,1338 30.045,1339 0.683,1340 0.563,1341 30.028,1342 24.778,1343 21.547,1344 0.431,1345 0.303,1346 13.782,1347 19.986,1348 13.465,1349 11.039,1350 21.879,1351 15.143,1352 19.403,1353 0.273,1354 0.159,1355 19.793,1356 11.257,1357 17.12,1358 0.173,1359 0.085,1360 17.74,1361 8.423,1362 15.067,1363 0.111,1364 0.045,1365 15.663,1366 6.123,1367 12.078,1368 0.07,1369 0.024,1370 12.874,1371 4.082,1372 0.191,1373 142.641,1374 0.17,1375 38.753,1376 0.325,1377 242,1378 767.537,1379 305.158,1380 769.204,1381 1050.84,1382 722,1383 291,1384 746.165,1385 348.767,1386 771.874,1387 1145.06,1388 729,1389 5.5}
{0 CHEMBL2001239,1 2.036,2 9.7,3 3.922,4 15.383,5 106.195,6 9.973,7 0.563,8 3.935,9 4.043,10 3.7,11 3.419,12 5.288,13 3.471,14 4.416,15 4.55,16 4.16,17 3.781,18 6.218,19 3.82,20 4.608,21 4.758,22 4.167,23 3.911,24 6.263,25 3.912,26 4.658,27 4.835,28 3.993,29 3.894,30 5.968,31 3.87,32 4.701,33 4.903,34 4.019,35 3.899,36 6.009,37 3.895,38 4.678,39 4.851,40 4.149,41 3.915,42 6.091,43 3.926,44 4.77,45 4.965,46 4.25,47 3.874,48 6.403,49 3.898,50 4.66,51 4.861,52 4.15,53 3.755,54 6.156,55 3.796,56 0.352,57 0.9,58 4.487,59 3.363,60 51.413,61 3.042,62 1.016,63 1.649,64 9.675,65 5.976,66 155.783,67 5.749,68 1.099,69 1.335,70 15.922,71 7.06,72 155.737,73 7.593,74 1.041,75 1.344,76 19.204,77 8.158,78 143.256,79 8.703,80 1.15,81 1.433,82 20.347,83 7.902,84 151.547,85 8.47,86 0.989,87 1.485,88 16.84,89 7.924,90 133.792,91 8.705,92 1.493,93 1.535,94 24.246,95 8.209,96 207.235,97 9.015,98 1.16,99 1.485,100 21.755,101 7.12,102 139.252,103 7.751,104 54,105 46,106 0.351,107 0.71,108 0.822,109 0.875,110 0.875,111 0.875,112 3.441,113 0.815,114 -4.62,115 -4.54,116 -4.27,119 40.9,125 1,132 1,142 6,143 3,144 3,148 1,150 2,158 1,163 1,164 1,165 1,172 7,174 3,177 2,178 5,180 5,183 11,193 6,196 11,200 5,202 1,203 2,204 2,205 4,207 1,208 6,213 5,217 2,218 6,221 5,225 5,228 1,230 6,233 3,235 2,238 8,241 5,243 5,246 1,248 2,250 7,255 2,258 1,260 1,263 2,264 4,267 2,268 2,269 3,271 2,274 2,276 1532,277 19.281,278 19.281,279 19.281,280 19.281,281 19.281,282 16.899,283 23.318,284 11.117,285 20.026,286 15.762,287 15.762,288 15.762,289 15.762,290 15.762,291 12.163,292 34.589,293 5.308,294 17.104,295 3.423,296 1.333,297 0.688,298 0.381,299 0.381,300 0.381,301 4.115,302 1,305 1,306 1,307 602,308 4,312 315.713,319 1.453,320 56.737,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 69.833,332 291,333 4.499,334 4.575,335 7.053,336 4.149,337 3.287,338 4.209,339 3.943,340 11.339,341 3.081,342 4.372,343 3.285,344 6.642,345 4.103,346 3.131,347 3.665,348 1.505,349 10.598,350 2.804,351 4.067,352 3.076,353 5.757,354 3.615,355 2.694,356 3.552,357 0.537,358 7.944,359 2.518,360 3.956,361 2.926,362 5.607,363 3.509,364 2.556,365 3.499,366 0.4,367 7.616,368 2.399,369 3.572,370 2.818,371 5.169,372 3.162,373 2.231,374 2.92,376 6.401,377 2.082,378 3.516,379 2.511,380 5.049,381 3.117,382 2.197,383 2.825,385 6.063,386 1.948,387 3.184,388 2.395,389 4.663,390 2.724,391 1.804,392 2.433,394 5.034,395 1.652,396 2.944,397 1.926,398 4.562,399 2.576,400 1.662,401 2.052,403 4.496,404 1.466,405 2.809,406 1.822,407 4.359,408 2.355,409 1.396,410 1.821,412 3.974,413 1.291,414 2.661,415 1.216,416 3.491,417 2.088,418 1.187,419 1.736,421 2.598,422 1.069,423 2.5,424 1.154,425 3.425,426 2,427 1,428 1.5,430 2.275,431 1,432 1.887,433 1,434 3.414,435 1.576,436 0.619,437 0.734,439 1.541,440 0.578,441 1.518,442 0.77,443 3.056,444 1.179,445 0.24,446 0.289,448 0.6,449 0.221,450 1.194,451 0.51,452 2.772,453 0.789,454 -0.104,455 -0.128,457 -0.252,458 -0.081,459 1.015,460 0.51,461 2.637,462 0.597,463 -0.317,464 -0.397,466 -0.745,467 -0.267,468 13.638,469 0.455,470 1.042,471 0.035,472 41.25,473 1.375,474 21,475 0.7,476 20.25,477 0.675,478 22.458,479 0.749,480 33.162,481 0.754,482 36.434,483 1.214,484 8.532,485 0.284,486 5.598,487 0.187,488 0.193,489 0.037,490 0.33,493 3,496 0.748,497 1.049,498 0.57,499 0.869,500 0.723,501 0.759,502 0.447,503 0.661,504 0.589,505 0.848,506 0.434,507 0.873,508 0.525,509 0.734,510 0.93,511 1.038,512 0.455,513 1.112,514 0.808,515 0.794,516 1.02,517 1.091,518 0.793,519 1.216,520 0.92,521 0.783,522 0.818,523 0.815,524 0.858,525 0.95,526 0.734,527 1,528 0.707,529 1.079,530 0.669,531 1.072,532 0.782,533 0.957,534 0.868,535 0.939,536 0.771,537 0.964,538 1.006,539 1.069,540 0.914,541 1.001,542 1.006,543 0.945,544 8.5,545 0.268,546 3.778,547 2.125,548 1.649,549 1.16,550 0.932,551 0.696,552 0.575,553 0.399,554 10558,555 48806,556 1.966,557 31.8,559 8,561 1,562 5,567 1.736,568 1.791,569 3.271,570 2.551,572 1,577 89.589,578 2.036,579 4.126,580 4.772,581 5.079,582 5.079,583 5.079,584 2.553,585 4.415,586 4.875,587 3.505,588 1524.79,589 8.551,590 21556.3,592 1,594 1,595 240.215,596 1.697,597 4.8,598 0.266,599 0.009,600 0.082,601 0.046,602 0.041,603 0.028,604 0.02,605 0.015,606 0.014,607 0.011,608 0.532,610 1,611 1.308,612 153.062,613 -0.145,614 -0.098,615 -0.033,616 0.057,617 -0.158,618 0.077,619 0.376,620 0.417,621 0.09,622 0.103,623 0.366,624 -0.009,625 0.201,626 0.102,627 -0.085,628 -0.073,629 0.245,630 -0.154,631 -0.079,632 -0.02,633 -0.175,634 -0.119,635 -0.099,636 -0.183,637 -0.137,638 0.059,639 -0.048,640 0.123,641 -0.112,642 0.08,643 -0.021,644 -0.224,645 0.07,646 -0.127,647 0.017,648 -0.051,649 0.135,650 -0.074,651 0.102,652 0.012,653 0.123,654 0.045,655 -0.074,656 -0.147,657 0.085,658 -0.045,659 -0.08,660 0.063,661 6.299,662 4.607,663 0.6,664 30.8,665 1.055,666 1.156,667 3.388,668 11.48,669 0.686,670 3.497,671 3.85,672 4.025,673 4.205,674 4.454,675 4.543,676 4.682,677 4.828,678 4.905,679 4.997,680 6.542,681 0.698,682 438.83,683 3.497,684 5.056,685 5.883,686 6.76,687 7.608,688 8.487,689 9.345,690 10.225,691 11.089,692 11.972,693 13.6,697 1,700 1,701 1,703 3,707 1,709 7,710 3,714 8,716 18,727 1,728 1,732 1,734 1,735 44,737 19,738 2,739 32,741 46,742 18,743 15,744 6,745 6,748 3,749 3,750 1,754 1,759 1,762 16,763 2,767 1,772 1,776 1,780 1,781 3,783 14,784 11,785 5,786 12,787 1,792 6,797 1,798 2,816 3,829 1,843 3,848 1,849 3,851 30,852 1,857 1,858 1,860 2,865 1,873 4,874 4.5,876 1,877 1,881 16.75,882 7.705,883 6.417,884 2.228,886 2.996,887 1.412,888 0.969,889 6.416,890 10.273,891 3.761,892 4.376,893 4.881,894 5.392,895 5.965,896 6.188,897 6.581,898 7.025,899 7.384,900 7.742,901 0.714,902 46,903 11.991,905 6.084,906 8.529,907 19.469,909 15.426,911 3.029,912 90.861,915 1,916 105.94,917 99.658,918 119.275,919 39.149,920 67.828,921 44.88,923 99.658,924 212.917,925 164.156,927 20.116,928 89.755,929 134.661,930 87.324,931 3.798,932 94.169,933 46.908,934 105.94,935 218.933,936 112.709,937 39.149,939 105.94,940 112.709,943 58.303,944 110.273,945 89.505,947 150.82,948 187.104,949 138.807,952 113.699,953 26.423,954 65.476,955 36.022,956 235.111,957 105.94,958 231.984,959 138.807,961 0.598,962 0.327,963 0.151,964 0.086,965 21,966 11,967 0.109,968 5,970 1,971 3.969,972 262.218,974 18,975 138.452,981 21.779,982 8.838,983 5.583,985 231.984,986 10.497,987 11.45,991 1.395,993 111.602,994 476.731,995 42,1000 11.166,1004 -2.126,1007 46.429,1008 50.863,1009 0.373,1010 0.756,1011 0.874,1012 0.93,1013 0.93,1014 0.93,1015 5.014,1016 1.662,1017 5.922,1018 5.034,1019 4.533,1020 5.063,1021 3.323,1022 6.746,1023 4.384,1024 6.255,1025 1.396,1026 7.507,1027 4.496,1028 4.369,1029 4.977,1030 3.979,1031 7.865,1032 4.055,1033 7.582,1034 1.187,1035 9.2,1036 3.974,1037 6.201,1038 7.248,1039 5.587,1040 10.843,1041 5.909,1042 8.94,1043 1,1044 10.955,1045 2.598,1046 6.781,1047 7.865,1048 6.838,1049 12.741,1050 6.329,1051 10.324,1052 0.619,1053 12.752,1054 2.275,1055 8.174,1056 9.689,1057 8.248,1058 15.325,1059 7.724,1060 11.726,1061 0.24,1062 14.579,1063 1.541,1064 9.077,1065 10.644,1066 9.6,1067 17.529,1068 8.491,1069 13.143,1070 -0.104,1071 16.429,1072 0.6,1073 10.316,1074 12.268,1075 10.978,1076 19.991,1077 9.702,1078 3.287,1079 -0.317,1080 18.296,1081 -0.252,1082 11.363,1083 13.412,1084 12.347,1085 22.317,1086 10.638,1087 3.131,1088 11.339,1089 20.177,1090 -0.745,1091 12.547,1092 14.933,1093 13.72,1094 24.741,1095 11.775,1096 2.694,1097 10.598,1098 22.069,1099 4.209,1100 13.659,1101 16.188,1102 15.092,1103 27.115,1104 12.794,1105 2.556,1106 7.944,1107 23.97,1108 3.665,1109 14.828,1110 17.657,1111 16.464,1112 29.528,1113 13.904,1114 2.231,1115 7.616,1116 25.878,1117 3.552,1118 15.97,1119 18.979,1120 17.836,1121 31.923,1122 14.965,1123 2.197,1124 6.401,1125 27.792,1126 3.499,1127 17.136,1128 20.422,1129 19.208,1130 34.333,1131 16.067,1132 1.804,1133 6.063,1134 29.712,1135 2.92,1136 18.293,1137 21.786,1138 20.58,1139 36.738,1140 17.151,1141 10519,1142 22808,1143 20.285,1144 30.182,1145 48.848,1146 49.07,1147 49.746,1148 48.417,1149 48.008,1150 62.47,1151 12.771,1152 140.955,1153 44.218,1154 5.388,1155 6.575,1156 6.609,1157 5.249,1158 5.287,1159 7.209,1160 5.621,1161 18.543,1162 5.081,1163 19.134,1164 1.526,1165 1.533,1166 1.555,1167 1.513,1168 1.5,1169 1.952,1170 0.399,1171 4.405,1172 1.382,1173 4.035,1174 4.059,1175 4.045,1176 3.975,1177 8.516,1178 3.975,1179 3.824,1180 3.878,1181 3.875,1182 3.727,1183 7.999,1184 3.725,1185 3.754,1186 3.8,1187 3.744,1188 3.512,1189 7.999,1190 3.564,1191 3.638,1192 3.667,1193 3.659,1194 3.34,1195 7.42,1196 3.405,1197 3.222,1198 3.296,1199 3.308,1200 3.003,1201 6.468,1202 3.019,1203 3.097,1204 3.165,1205 3.132,1206 2.929,1207 5.27,1208 2.942,1209 2.937,1210 3.035,1211 2.93,1212 2.735,1213 4.946,1214 2.715,1215 2.854,1216 2.925,1217 2.786,1218 2.621,1219 4.765,1220 2.655,1221 0.141,1222 0.143,1223 0.22,1224 0.13,1225 0.103,1226 4.499,1227 0.132,1228 4.575,1229 0.123,1230 7.053,1231 0.354,1232 4.149,1233 0.096,1234 3.287,1235 4.209,1236 3.943,1237 11.339,1238 3.081,1239 1.994,1240 1.977,1241 2.065,1242 2.075,1243 1.233,1244 2.072,1245 1.783,1246 1.755,1247 1.881,1248 1.937,1249 1.01,1250 1.91,1251 1.631,1252 1.563,1253 1.708,1254 1.869,1255 0.701,1256 1.845,1257 1.438,1258 1.404,1259 1.559,1260 1.741,1261 0.489,1262 1.676,1263 1.108,1264 1.063,1265 1.232,1266 1.41,1267 0.224,1268 1.368,1269 1.01,1270 0.97,1271 1.19,1272 1.298,1273 0.218,1274 1.273,1275 0.886,1276 0.821,1277 1.181,1278 1.178,1279 0.157,1280 1.157,1281 0.838,1282 0.726,1283 1.102,1284 1.062,1286 1.107,1287 4.174,1289 5.517,1291 7.038,1293 8.636,1295 10.275,1298 5.888,1299 37.516,1301 5.514,1302 10.607,1303 -0.57,1305 4.571,1310 -5.049,1314 30.696,1315 89.589,1316 181.544,1317 209.95,1318 223.46,1319 223.46,1320 223.46,1321 77.807,1322 7.277,1323 126.05,1324 126.05,1325 18,1326 12.51,1327 4.322,1328 3.459,1329 54.802,1330 117,1331 112,1332 0.229,1333 192.664,1334 340.78,1335 461.86,1336 12650,1337 9.1,1338 21.889,1339 0.73,1340 0.526,1341 19.889,1342 15.791,1343 14.13,1344 0.442,1345 0.272,1346 8.147,1347 13.034,1348 8.041,1349 6.605,1350 13.207,1351 8.694,1352 13.858,1353 0.301,1354 0.14,1355 12.393,1356 6.448,1357 10.487,1358 0.191,1359 0.075,1360 9.442,1361 4.14,1362 7.739,1363 0.117,1364 0.04,1365 7.556,1366 2.651,1367 6.34,1368 0.075,1369 0.022,1370 6.411,1371 1.845,1372 0.353,1373 93.828,1374 0.222,1375 28.078,1376 0.649,1377 156,1378 729.335,1379 203.539,1380 653.484,1381 835.88,1382 600,1383 179,1384 560.065,1385 214.582,1386 556.634,1387 827.93,1388 520,1389 5.4}
{0 CHEMBL2001257,1 1.514,2 15.314,3 5.393,4 29.082,5 147.412,6 7.558,7 0.579,8 4.234,9 4.362,10 3.847,11 3.839,12 5.344,13 3.785,14 4.732,15 4.914,16 4.186,17 4.213,18 5.799,19 4.131,20 4.934,21 5.134,22 4.257,23 4.349,24 5.96,25 4.249,26 5.027,27 5.245,28 4.284,29 4.375,30 6.067,31 4.249,32 5.038,33 5.281,34 4.123,35 4.287,36 6.073,37 4.148,38 4.858,39 5.086,40 4.056,41 4.157,42 5.916,43 4.049,44 4.757,45 4.945,46 4.033,47 4.154,48 5.807,49 4.049,50 4.845,51 5.064,52 4.03,53 4.207,54 5.818,55 4.059,56 0.061,57 0.94,58 13.426,59 5.725,60 12.002,61 7.5,62 0.297,63 1.498,64 25.313,65 9.897,66 29.702,67 13.095,68 0.24,69 1.78,70 31.079,71 11.891,72 33.939,73 15.76,74 0.196,75 1.905,76 36.831,77 14.053,78 41.143,79 18.808,80 0.316,81 1.86,82 40.363,83 14.364,84 61.822,85 18.549,86 0.303,87 1.608,88 33.464,89 11.439,90 49.251,91 14.865,92 0.216,93 1.482,94 25.733,95 9.76,96 36.808,97 12.987,98 0.256,99 1.615,100 33.332,101 12.574,102 33.973,103 16.008,104 34,105 52,106 0.239,107 0.617,108 0.766,109 0.821,110 0.832,111 0.837,112 3.588,113 0.985,114 -5.25,115 -5.14,116 -4.81,119 43.8,120 3,125 3,141 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 5,177 1,178 3,179 1,180 5,183 18,185 1,188 3,193 5,196 13,198 1,200 8,205 10,208 12,210 3,213 6,218 8,221 8,223 3,224 1,225 7,230 7,233 11,235 3,238 2,243 2,246 12,250 4,252 1,253 2,254 1,255 2,257 1,258 16,264 3,269 2,272 10,276 2525,277 23.825,278 23.825,279 23.825,280 23.825,281 23.825,282 20.74,283 27.434,284 14.048,285 24.352,286 18.63,287 18.63,288 18.63,289 18.63,290 18.63,291 14.01,292 33.376,293 6.508,294 19.392,295 4.486,296 2.091,297 1.141,298 0.797,299 0.723,300 0.692,301 4.283,306 1,307 1137,308 4.183,311 85.095,312 353.195,315 161.439,319 2.684,320 23.927,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 73.5,332 536,333 4.732,334 3.563,335 6.972,336 4.252,337 3.286,338 4.712,339 1.656,340 11.822,341 3.176,342 4.158,343 3.366,344 6.078,345 3.736,346 2.761,347 3.74,348 1.053,349 8.757,350 2.688,351 4.074,352 2.991,353 5.63,354 3.66,355 2.676,356 3.66,357 0.249,358 7.806,359 2.629,360 3.944,361 2.815,362 5.535,363 3.459,364 2.486,365 3.332,366 0.247,367 7.245,368 2.42,369 3.714,370 2.738,371 5.373,372 3.358,373 2.429,374 2.983,376 6.774,377 2.252,378 3.5,379 2.554,380 5.269,381 3.196,382 2.223,383 2.777,385 6.626,386 2.156,387 3.464,388 2.293,389 4.903,390 3.054,391 2.089,392 2.635,394 5.71,395 2.012,396 3.31,397 2.136,398 4.717,399 2.776,400 1.827,401 2.454,403 4.969,404 1.741,405 3.171,406 1.996,407 4.505,408 2.658,409 1.686,410 2.314,412 4.593,413 1.6,414 3.055,415 1.813,416 4.191,417 2.237,418 1.258,419 1.937,421 3.287,422 1.227,423 2.658,424 1.24,425 3.694,426 2.179,427 1.181,428 1.729,430 2.609,431 1.178,432 2.561,433 1.167,434 3.479,435 2.02,436 1.07,437 1.581,439 2.585,440 1.007,441 2.5,442 1,443 3.414,444 2,445 1,446 1.5,448 2.275,449 1,450 2.273,451 0.977,452 3.39,453 1.666,454 0.827,455 1.15,457 2.054,458 0.675,459 1.618,460 0.744,461 2.96,462 1.591,463 0.618,464 0.618,466 0.791,467 0.6,468 17.167,469 0.49,470 0.78,471 0.022,472 46.75,473 1.336,474 25,475 0.714,476 21.75,477 0.621,478 30.876,479 0.882,480 36.233,481 0.566,482 36.585,483 1.045,484 9.104,485 0.26,486 7.873,487 0.225,488 0.13,490 0.315,496 0.911,497 1.152,498 0.801,499 0.9,500 0.77,501 0.885,502 0.681,503 0.923,504 0.853,505 0.858,506 0.495,507 0.846,508 1.164,509 0.989,510 0.92,511 0.88,512 0.964,513 0.931,514 0.769,515 1.182,516 0.914,517 1.103,518 0.78,519 1.031,520 1.277,521 1.008,522 1.094,523 1.02,524 1.388,525 0.944,526 1.28,527 1,528 1.092,529 1.001,530 1.337,531 0.888,532 1.314,533 1.16,534 1.025,535 1.044,536 1.432,537 1.106,538 0.728,539 1.022,540 1.268,541 1.214,542 0.696,543 1.089,544 7,545 0.178,546 3.556,547 2.403,548 1.824,549 1.115,550 0.727,551 0.473,552 0.428,553 0.394,554 19841,555 48168,556 2.058,557 45.3,558 3,559 14,560 1,561 1,562 4,564 6,567 1.764,568 1.927,569 3.869,570 1.463,577 96.903,578 1.514,579 3.909,580 4.859,581 5.203,582 5.277,583 5.308,584 3.386,585 4.708,586 5.093,587 4.093,588 2435.13,589 8.926,590 40165.4,595 384,596 1.404,597 5.06,598 0.184,599 0.006,600 0.068,601 0.044,602 0.035,603 0.025,604 0.017,605 0.011,606 0.01,607 0.011,608 0.412,610 0.88,611 1.37,612 193.362,613 -0.073,614 -0.02,615 0.05,616 0.055,617 -0.103,618 0.045,619 0.238,620 0.161,621 0.099,622 0.125,623 0.172,624 0.107,625 -0.146,626 0.062,627 0.008,628 0.078,629 -0.066,630 0.021,631 0.083,632 -0.193,633 0.098,634 -0.077,635 0.115,636 -0.033,637 -0.081,638 -0.03,639 0.007,640 0.02,641 -0.04,642 0.047,643 -0.049,644 0.025,645 0.006,646 0.029,647 -0.03,648 0.084,649 -0.188,650 -0.119,651 -0.121,652 -0.097,653 -0.247,654 -0.161,655 0.079,656 0.007,657 -0.1,658 -0.1,659 0.02,660 -0.08,661 1.953,662 5.369,663 0.6,664 51.086,665 0.992,666 1.119,667 4.021,668 16.17,669 0.692,670 3.664,671 3.97,672 4.234,673 4.5,674 4.691,675 4.787,676 4.92,677 5.1,678 5.17,679 5.273,680 8.933,681 0.646,682 483.69,683 3.664,684 5.198,685 6.043,686 6.917,687 7.779,688 8.663,689 9.537,690 10.427,691 11.309,692 12.205,693 7.8,696 1,697 1,700 2,703 1,708 2,709 10,710 1,713 1,714 7,716 22,727 1,735 64,737 24,738 2,739 38,741 67,742 28,743 19,744 4,745 8,748 4,749 5,753 1,754 3,761 2,762 20,763 6,767 1,772 1,776 1,783 29,784 6,785 4,786 7,787 1,792 5,797 0.75,798 1,809 1,815 1,816 3,819 1,823 2,839 1,843 3,845 1,847 3,851 35,852 1,858 3,860 2,864 1,866 1,869 1,872 2,874 1.6,877 1,881 18.167,882 12.4,883 7.889,884 3.979,886 4.886,887 1.595,888 1.002,889 8.147,890 13.102,891 3.97,892 4.577,893 5.188,894 5.838,895 6.39,896 6.769,897 7.232,898 7.723,899 8.057,900 8.447,901 1,902 54,903 12.895,905 5.337,906 7.643,907 24.819,909 19.907,911 2.143,912 75,916 294.278,917 218.816,918 88.829,920 25.145,922 31.278,923 187.539,924 319.422,925 88.829,926 26.476,927 42.339,928 116.356,929 53.702,930 33,931 53.182,932 302.013,934 294.278,935 276.367,936 25.145,937 31.278,939 223.651,940 95.772,943 80.986,944 144.535,945 50.847,946 31.278,947 294.278,948 113.973,949 218.816,952 294.278,953 65.773,954 122.106,955 70.083,956 74.828,957 294.278,958 113.973,959 218.816,961 0.573,962 0.337,963 0.181,964 0.092,965 23,966 11,967 0.09,968 6,969 1,970 1.095,971 4.634,972 317.901,973 0.095,974 21,975 169.525,977 1,981 24.877,982 11.463,983 6.069,984 1.96,985 113.973,986 19.233,987 4.41,990 1.621,991 5.937,993 68.919,994 627.067,995 52,1000 12.369,1004 -0.286,1007 63.516,1008 71.603,1009 0.252,1010 0.652,1011 0.81,1012 0.867,1013 0.88,1014 0.885,1015 5.201,1016 1.827,1017 6.019,1018 5.71,1019 4.654,1020 5.265,1021 2.072,1022 6.817,1023 4.579,1024 6.424,1025 1.686,1026 7.568,1027 4.969,1028 4.205,1029 5.037,1030 1.305,1031 7.714,1032 4.112,1033 7.737,1034 1.258,1035 9.216,1036 4.593,1037 6.232,1038 7.503,1039 2.573,1040 10.821,1041 6.094,1042 9.087,1043 1.181,1044 10.925,1045 3.287,1046 6.608,1047 8.139,1048 2.389,1049 12.608,1050 6.444,1051 10.467,1052 1.07,1053 12.676,1054 2.609,1055 8.092,1056 10.062,1057 3.315,1058 15.261,1059 7.894,1060 11.871,1061 1,1062 14.458,1063 2.585,1064 8.864,1065 11.145,1066 3.438,1067 17.444,1068 8.635,1069 13.294,1070 0.827,1071 16.265,1072 2.275,1073 10.134,1074 12.836,1075 4.186,1076 19.961,1077 9.876,1078 3.286,1079 0.618,1080 18.092,1081 2.054,1082 11.107,1083 14.154,1084 4.478,1085 22.314,1086 10.815,1087 2.761,1088 11.822,1089 19.938,1090 0.791,1091 12.297,1092 15.748,1093 5.124,1094 24.792,1095 11.976,1096 2.676,1097 8.757,1098 21.798,1099 4.712,1100 13.371,1101 17.185,1102 5.51,1103 27.214,1104 13.014,1105 2.486,1106 7.806,1107 23.67,1108 3.74,1109 14.538,1110 18.743,1111 6.096,1112 29.683,1113 14.15,1114 2.429,1115 7.245,1116 25.554,1117 3.66,1118 15.663,1119 20.237,1120 6.533,1121 32.133,1122 15.239,1123 2.223,1124 6.774,1125 27.447,1126 3.332,1127 16.828,1128 21.783,1129 7.085,1130 34.601,1131 16.371,1132 2.089,1133 6.626,1134 29.348,1135 2.983,1136 17.98,1137 23.305,1138 7.552,1139 37.062,1140 17.486,1141 19136,1142 30062,1143 25.255,1144 44.267,1145 56.701,1146 57.439,1147 58.33,1148 55.5,1149 55.608,1150 75.143,1151 6.411,1152 157.474,1153 53.454,1154 5.598,1155 5.563,1156 6.59,1157 5.359,1158 5.286,1159 7.712,1160 2.912,1161 19.202,1162 5.176,1163 18.638,1164 1.492,1165 1.512,1166 1.535,1167 1.461,1168 1.463,1169 1.977,1170 0.169,1171 4.144,1172 1.407,1173 4.119,1174 4.13,1175 4.34,1176 4.127,1177 7.431,1178 4.086,1179 3.934,1180 3.968,1181 3.885,1182 3.861,1183 5.194,1184 3.857,1185 3.848,1186 3.88,1187 3.805,1188 3.788,1189 4.818,1190 3.781,1191 3.732,1192 3.806,1193 3.635,1194 3.564,1195 4.763,1196 3.562,1197 3.46,1198 3.504,1199 3.467,1200 3.334,1201 4.732,1202 3.322,1203 3.361,1204 3.407,1205 3.382,1206 3.158,1207 4.473,1208 3.193,1209 3.306,1210 3.404,1211 3.243,1212 3.123,1213 4.253,1214 3.089,1215 3.246,1216 3.31,1217 3.04,1218 3.1,1219 4.18,1220 3.081,1221 0.125,1222 0.094,1223 0.183,1224 0.112,1225 0.086,1226 4.732,1227 0.124,1228 3.563,1229 0.044,1230 6.972,1231 0.311,1232 4.252,1233 0.084,1234 3.286,1235 4.712,1236 1.656,1237 11.822,1238 3.176,1239 1.964,1240 1.945,1241 2.044,1242 2.048,1243 1.18,1244 2.046,1245 1.913,1246 1.884,1247 2.027,1248 2.007,1249 1.157,1250 2.014,1251 1.843,1252 1.824,1253 1.95,1254 1.944,1255 1.131,1256 1.953,1257 1.682,1258 1.61,1259 1.862,1260 1.891,1261 1.006,1262 1.895,1263 1.439,1264 1.418,1265 1.725,1266 1.619,1267 0.869,1268 1.638,1269 1.351,1270 1.256,1271 1.569,1272 1.584,1273 0.678,1274 1.597,1275 1.302,1276 1.251,1277 1.553,1278 1.505,1279 0.626,1280 1.523,1281 1.247,1282 1.206,1283 1.417,1284 1.399,1285 0.608,1286 1.439,1287 4.344,1289 5.652,1290 2.398,1291 7.152,1292 4.727,1293 8.743,1294 6.88,1295 10.386,1297 6.258,1301 6.281,1303 2.674,1305 5.728,1309 2.269,1313 6.545,1314 41.33,1315 96.903,1316 250.177,1317 310.98,1318 332.98,1319 337.735,1320 339.735,1321 59.047,1322 8.216,1323 83.28,1324 111.52,1325 23,1326 12.733,1327 4.644,1328 3.907,1329 59.822,1330 185,1331 179,1332 0.155,1333 260.825,1334 447.9,1335 628.173,1336 49186,1338 24.786,1339 0.708,1340 0.6,1341 25.139,1342 21,1343 16.978,1344 0.447,1345 0.328,1346 11.573,1347 16.102,1348 11.093,1349 9.314,1350 17.432,1351 12.481,1352 14.906,1353 0.287,1354 0.175,1355 15.43,1356 9.079,1357 12.433,1358 0.183,1359 0.1,1360 13.152,1361 6.788,1362 10.499,1363 0.118,1364 0.055,1365 11.441,1366 4.865,1367 7.983,1368 0.074,1369 0.028,1370 8.809,1371 3.002,1372 0.251,1373 109.158,1374 0.199,1375 32.929,1376 0.403,1377 180,1378 467.864,1379 213.655,1380 490.861,1381 680.57,1382 460,1383 210,1384 492.966,1385 242.034,1386 522.842,1387 760.75,1388 491,1389 5.7}
{0 CHEMBL2001288,1 2.005,2 7.15,3 -0.787,4 0.619,5 77.403,6 12.287,7 0.455,8 3.658,9 3.759,10 3.612,11 3.107,12 4.917,13 3.118,14 4.183,15 4.307,16 4.141,17 3.527,18 5.415,19 3.53,20 4.455,21 4.608,22 4.358,23 3.659,24 5.869,25 3.621,26 4.469,27 4.654,28 4.456,29 3.639,30 5.843,31 3.57,32 4.354,33 4.56,34 4.219,35 3.585,36 5.673,37 3.433,38 4.105,39 4.283,40 4.14,41 3.431,42 5.463,43 3.281,44 3.963,45 4.146,46 3.858,47 3.221,48 5.363,49 3.044,50 3.722,51 3.949,52 3.332,53 2.8,54 5.092,55 2.576,56 0.275,57 0.51,58 1.598,59 2.829,60 35.886,61 2.463,62 0.539,63 0.795,64 5.999,65 4.703,66 60.183,67 4.331,68 1.042,69 0.892,70 13.882,71 6.68,72 106.403,73 6.206,74 0.943,75 0.885,76 17.816,77 6.529,78 100.55,79 6.38,80 0.825,81 0.746,82 45.021,83 8.709,84 88.618,85 6.965,86 0.561,87 0.615,88 29.212,89 6.965,90 54.692,91 5.475,92 0.472,93 0.506,94 35.8,95 6.612,96 51.247,97 5.078,98 0.403,99 0.337,100 36.444,101 5.282,102 49.627,103 4.125,104 27,105 33,106 0.379,107 0.746,108 0.854,109 0.911,110 0.922,111 0.922,112 3.06,113 0.939,114 -1.72,115 -1.79,116 -1.81,119 31.3,125 1,127 3,128 1,143 1,147 2,148 1,161 1,163 1,164 1,165 1,166 1,174 3,175 5,177 1,178 1,180 1,183 1,185 1,187 2,188 1,191 4,192 1,199 3,200 3,202 3,203 5,204 1,205 1,210 1,213 1,216 3,217 1,218 1,224 1,227 1,228 3,230 2,241 2,242 1,243 2,245 1,253 1,254 1,255 1,257 1,267 1,268 1,271 1,276 444,277 13.284,278 13.284,279 13.284,280 13.284,281 13.284,282 12.062,283 14.107,284 7.413,285 13.901,286 10.718,287 10.718,288 10.718,289 10.718,290 10.718,291 8.871,292 18.574,293 3.358,294 11.895,295 2.995,296 1.055,297 0.485,298 0.188,299 0.125,300 0.125,301 3.728,306 1,307 303,308 2.345,311 84.2,312 47.063,315 71.135,319 0.98,320 35.677,323 1,324 0.83,325 1,326 1,328 1,329 1,330 0.83,331 45.9,332 143,333 4.725,334 3.606,335 7.018,336 4.273,337 3.347,338 4.69,339 1.041,340 11.971,341 3.087,342 4.156,343 3.289,344 6.633,345 3.986,346 3.056,347 3.332,349 10.446,350 2.829,351 3.662,352 2.635,353 5.963,354 3.33,355 2.396,356 2.92,358 8.101,359 2.231,360 3.363,361 2.334,362 5.248,363 2.841,364 1.976,365 2.714,367 5.82,368 1.75,369 3.039,370 2.246,371 4.933,372 2.737,373 1.876,374 2.115,376 5.375,377 1.459,378 2.724,379 1.947,380 4.772,381 2.48,382 1.587,383 1.76,385 4.666,386 1.407,387 2.629,388 1.302,389 4.192,390 2.06,391 1.176,392 1.674,394 3.075,395 0.976,396 2.201,397 1.267,398 3.647,399 1.857,400 0.963,401 1.151,403 2.538,404 0.765,405 1.55,406 1.209,407 2.991,408 1.387,409 0.544,410 0.547,412 0.907,413 0.453,414 1.086,415 0.565,416 2.704,417 0.72,418 -0.128,419 -0.135,421 -0.25,422 -0.097,423 0.885,424 0.093,425 2.431,426 0.571,427 -0.289,428 -0.348,430 -0.642,431 -0.108,432 0.776,433 -0.224,434 2.283,435 0.175,436 -0.573,437 -0.731,439 -1.428,440 -0.31,441 0.36,442 -0.488,443 2.208,444 -0.029,445 -0.849,446 -0.943,448 -2.263,449 -0.724,450 -0.017,451 -0.807,452 2,453 -0.3,454 -1.149,455 -1.283,457 -3.031,458 -0.969,459 -0.109,460 -1.114,461 1.665,462 -0.464,463 -1.366,464 -1.478,466 -3.44,467 -1.234,468 9.976,469 0.499,470 0.631,471 0.032,472 22.75,473 1.138,474 8.5,475 0.425,476 14.25,477 0.713,478 18.539,479 0.927,480 22.424,481 0.701,482 14.959,483 0.748,484 4.314,485 0.216,486 5.227,487 0.261,488 0.305,490 0.441,496 1.114,497 1.299,498 0.469,499 0.556,500 1.163,501 0.706,502 1.111,503 1.176,504 0.538,505 0.654,506 1,507 0.795,508 0.979,509 1.149,510 0.613,511 0.654,512 0.918,513 0.811,514 1.045,515 0.938,516 0.774,517 0.818,518 0.999,519 0.894,520 1.006,521 0.818,522 1.356,523 1.22,524 0.966,525 1.022,526 0.927,527 0.931,528 1.423,529 1.329,530 0.952,531 1.134,532 0.918,533 1.23,534 1.685,535 1.674,536 0.938,537 1.485,538 0.962,539 1.139,540 1.753,541 1.776,542 1.134,543 1.613,544 4,546 3.111,547 2.868,548 1.358,549 0.674,550 0.543,551 0.282,552 0.078,553 0.016,554 3186,555 13142,556 2.018,557 37.5,559 5,560 1,561 1,562 5,567 1.625,568 1.818,569 2.861,570 3.065,576 1,577 64.152,578 2.005,579 3.945,580 4.515,581 4.813,582 4.875,583 4.875,584 2.228,585 4.122,586 4.296,587 2.937,588 558.062,589 7.373,590 5470.59,595 160,596 1.539,597 4.214,598 0.182,600 0.094,601 0.082,602 0.044,603 0.028,604 0.026,605 0.019,606 0.011,607 0.008,608 0.494,609 0.33,610 1,611 0.932,612 85.768,613 -0.272,614 -0.097,615 -0.011,616 0.045,617 -0.288,618 0.078,619 -0.187,620 -0.057,621 0.006,622 0.003,623 -0.188,624 0.018,625 0.116,626 -0.19,627 0.027,628 0.068,629 0.076,630 0.051,631 -0.023,632 0.019,633 0.038,634 0.024,635 -0.012,636 0.013,637 -0.044,638 0.13,639 -0.075,640 -0.015,641 0.004,642 0.033,643 -0.002,644 0.092,645 -0.067,646 -0.058,647 -0.016,648 -0.078,649 -0.006,650 -0.227,651 -0.143,652 -0.265,653 0.036,654 -0.38,655 -0.043,656 -0.24,657 -0.173,658 -0.354,659 -0.037,660 -0.47,661 2.553,662 4.026,663 0.7,664 12.12,665 1.044,666 1.147,667 0.495,668 0.245,669 0.705,670 3.135,671 3.526,672 3.892,673 4.205,674 4.369,675 4.477,676 4.585,677 4.663,678 4.585,679 4.357,680 4.393,681 0.668,682 393.17,683 3.135,684 4.71,685 5.609,686 6.532,687 7.451,688 8.38,689 9.303,690 10.234,691 11.16,692 12.092,693 15.6,697 1,701 1,703 3,708 2,709 1,710 3,714 2,715 1,716 10,727 1,734 1,735 32,737 10,739 22,741 34,742 10,743 5,748 3,749 4,754 1,757 3,760 3,762 5,763 5,780 1,783 12,784 8,785 5,786 10,787 1,788 1,792 5,797 0.667,798 4,799 1,800 2,803 1,807 1,810 1,815 2,816 1,819 1,841 3,842 1,843 2,850 1,851 20,852 1,857 3,858 1,861 1,863 4,873 1,874 12.5,875 3,878 1,881 11,882 5.21,883 4.389,884 1.591,886 2.082,887 1.307,888 0.88,889 3.713,890 8.863,891 3.332,892 3.975,893 4.631,894 5.267,895 5.734,896 6.078,897 6.453,898 6.781,899 6.759,900 6.712,901 0.8,902 35,903 7.454,905 3.414,906 8.206,907 13.471,909 11.369,911 2.706,912 54.12,916 82.398,917 73.248,918 84.908,920 139.05,922 56.782,923 16.466,924 221.448,925 84.908,928 160.947,929 74.72,930 12.968,931 15.33,932 115.638,934 82.398,935 101.373,936 139.05,938 56.782,939 82.398,941 139.05,943 12.11,944 39.029,945 50.234,946 56.782,947 82.398,948 223.958,949 16.466,950 56.782,952 82.398,953 7.847,954 67.177,956 222.181,957 82.398,958 223.958,959 16.466,960 56.782,961 0.598,962 0.384,963 0.214,964 0.108,965 18,966 9,967 0.059,968 2,969 1,970 1.143,971 3.05,972 161.066,973 0.143,974 14,975 86.439,981 14.208,982 5.227,983 2.169,984 0.961,985 222.181,986 1.285,987 12.205,991 0.839,992 1.346,993 160.947,994 379.603,995 27,1007 33.422,1008 36.711,1009 0.401,1010 0.789,1011 0.903,1012 0.963,1013 0.975,1014 0.975,1015 4.62,1016 0.963,1017 5.645,1018 3.075,1019 4.205,1020 4.659,1021 1.153,1022 6.564,1023 4.004,1024 5.849,1025 0.544,1026 7.281,1027 2.538,1028 4.007,1029 4.663,1031 7.667,1032 3.71,1033 7.19,1034 -0.128,1035 9.017,1036 0.907,1037 5.905,1038 6.934,1039 1.208,1040 10.831,1041 5.561,1042 8.572,1043 -0.289,1044 10.807,1045 -0.25,1046 6.524,1047 7.807,1049 12.749,1050 6.097,1051 9.989,1052 -0.573,1053 12.632,1054 -0.642,1055 7.943,1056 9.612,1057 1.265,1058 15.446,1059 7.456,1060 11.433,1061 -0.849,1062 14.48,1063 -1.428,1064 8.903,1065 10.874,1067 17.686,1068 8.333,1069 12.897,1070 -1.149,1071 16.346,1072 -2.263,1073 10.161,1074 12.513,1075 1.324,1076 20.227,1077 9.523,1078 3.347,1079 -1.366,1080 18.225,1081 -3.031,1082 11.258,1083 13.942,1085 22.597,1086 10.536,1087 3.056,1088 11.971,1089 20.115,1090 -3.44,1091 12.464,1092 15.52,1093 1.383,1094 25.086,1095 11.668,1096 2.396,1097 10.446,1098 22.012,1099 4.69,1100 13.615,1101 17.019,1103 27.51,1104 12.736,1105 1.976,1106 8.101,1107 23.917,1108 3.332,1109 14.807,1110 18.575,1111 1.444,1112 29.982,1113 13.85,1114 1.876,1115 5.82,1116 25.826,1117 2.92,1118 15.98,1119 20.101,1121 32.43,1122 14.942,1123 1.587,1124 5.375,1125 27.74,1126 2.714,1127 17.169,1128 21.65,1129 1.506,1130 34.899,1131 16.051,1132 1.176,1133 4.666,1134 29.657,1135 2.115,1136 18.353,1137 23.188,1139 37.36,1140 17.153,1141 3223,1142 6604,1143 14.046,1144 22.551,1145 34.006,1146 34.991,1147 36.812,1148 34.111,1149 33.844,1150 41.803,1151 2.082,1152 105.797,1153 29.914,1154 5.631,1155 5.606,1156 6.546,1157 5.372,1158 5.347,1159 7.69,1160 2.082,1161 19.721,1162 4.991,1163 11.71,1164 1.546,1165 1.591,1166 1.673,1167 1.551,1168 1.538,1169 1.9,1170 0.095,1171 4.809,1172 1.36,1173 4.104,1174 4.151,1175 10.695,1176 4.055,1177 6.498,1178 3.969,1179 3.8,1180 3.823,1181 4.045,1182 3.639,1183 6.453,1184 3.636,1185 3.342,1186 3.421,1187 3.718,1188 3.415,1189 6.399,1190 3.111,1191 3.19,1192 3.241,1193 3.245,1194 3.046,1195 5.252,1196 2.982,1197 3.009,1198 3.109,1199 3.028,1200 2.787,1201 4.868,1202 2.77,1203 2.796,1204 2.845,1205 2.861,1206 2.633,1207 4.548,1208 2.494,1209 2.626,1210 2.659,1211 2.603,1212 2.359,1213 4.381,1214 2.257,1215 2.385,1216 2.446,1217 2.438,1218 2.09,1219 3.712,1220 2.137,1221 0.215,1222 0.164,1223 0.319,1224 0.194,1225 0.152,1226 4.725,1227 0.213,1228 3.606,1229 0.047,1230 7.018,1231 0.544,1232 4.273,1233 0.14,1234 3.347,1235 4.69,1236 1.041,1237 11.971,1238 3.087,1239 1.816,1240 1.779,1241 1.849,1242 2.005,1243 1.157,1244 1.965,1245 1.6,1246 1.566,1247 1.783,1248 1.818,1249 0.986,1250 1.806,1251 1.48,1252 1.439,1253 1.616,1254 1.761,1255 0.831,1256 1.722,1257 1.12,1258 1.072,1259 1.255,1260 1.416,1261 0.352,1262 1.381,1263 0.888,1264 0.826,1265 1.139,1266 1.221,1267 0.122,1268 1.204,1269 0.795,1270 0.677,1271 0.988,1272 1.126,1274 1.126,1275 0.619,1276 0.556,1277 0.877,1278 0.998,1280 0.972,1281 0.2,1282 0.143,1283 0.657,1284 0.803,1286 0.746,1287 3.807,1289 5.176,1290 3.045,1291 6.744,1292 5.533,1293 8.4,1294 7.719,1295 10.104,1300 1.977,1301 5.783,1302 28.922,1303 -0.401,1306 5.428,1308 -4.225,1314 21.39,1315 64.152,1316 126.226,1317 144.49,1318 154,1319 156,1320 156,1321 40.749,1322 6.781,1323 139.54,1324 139.54,1325 16,1326 12.593,1327 3.459,1328 2.585,1329 29.727,1330 52,1331 54,1332 0.296,1333 140.345,1334 227.56,1335 334.203,1336 6371,1337 3.1,1338 14.439,1339 0.722,1340 0.612,1341 15.939,1342 12.245,1343 9.541,1344 0.434,1345 0.313,1346 5.708,1347 8.271,1348 5.63,1349 4.533,1350 10.407,1351 6.888,1352 8.812,1353 0.267,1354 0.165,1355 9.925,1356 5.444,1357 8.097,1358 0.169,1359 0.083,1360 9.028,1361 3.989,1362 6.92,1363 0.105,1364 0.045,1365 8.191,1366 2.962,1367 5.126,1368 0.066,1369 0.023,1370 6.153,1371 1.794,1372 0.436,1373 75.634,1374 0.267,1375 19.156,1376 0.901,1377 110,1378 399.726,1379 281.496,1380 411.144,1381 539.56,1382 382,1383 136,1384 359.118,1385 217.302,1386 368.925,1387 557.02,1388 347,1389 5.1}
{0 CHEMBL2001485,1 1.625,2 16.692,3 4.056,4 16.452,5 156.799,6 7.937,7 0.628,8 4.319,9 4.444,10 3.971,11 3.896,12 5.475,13 3.863,14 4.818,15 4.991,16 4.349,17 4.294,18 5.935,19 4.243,20 5.027,21 5.199,22 4.43,23 4.439,24 6.17,25 4.368,26 5.188,27 5.393,28 4.486,29 4.482,30 6.339,31 4.389,32 5.161,33 5.383,34 4.377,35 4.417,36 6.25,37 4.311,38 5.043,39 5.276,40 4.208,41 4.306,42 6.087,43 4.212,44 4.945,45 5.159,46 4.188,47 4.279,48 5.996,49 4.173,50 4.964,51 5.181,52 4.194,53 4.251,54 6.052,55 4.146,56 0.074,57 1.065,58 13.235,59 5.876,60 12.584,61 7.387,62 0.363,63 1.677,64 25.795,65 9.965,66 32.54,67 12.856,68 0.324,69 1.991,70 30.92,71 12.213,72 41.079,73 15.45,74 0.503,75 2.23,76 42.586,77 14.883,78 84.91,79 18.869,80 0.491,81 2.188,82 46.189,83 14.935,84 65.819,85 18.772,86 0.406,87 1.91,88 36.949,89 12.572,90 61.952,91 16.59,92 0.252,93 1.78,94 31.543,95 12.054,96 38.95,97 16.064,98 0.465,99 1.776,100 36.871,101 12.595,102 57.745,103 15.943,104 53,105 62,106 0.252,107 0.622,108 0.777,109 0.818,110 0.832,111 0.836,112 3.693,113 0.925,114 -4.28,115 -4.22,116 -3.98,119 42.6,120 2,124 2,127 1,142 8,143 6,144 2,145 2,147 1,151 2,152 1,158 1,159 1,163 1,164 1,165 1,166 1,172 12,174 1,175 5,177 1,178 3,179 1,180 5,183 17,185 1,187 2,188 7,193 5,196 14,198 1,199 2,200 6,205 9,208 7,210 3,212 2,213 12,218 9,221 6,223 3,225 8,230 5,233 8,235 2,238 5,240 2,241 2,243 3,246 12,249 2,250 9,253 1,254 1,255 2,257 1,258 9,264 7,269 3,272 9,274 1,276 3319,277 25.947,278 25.947,279 25.947,280 25.947,281 25.947,282 22.549,283 26.913,284 14.897,285 26.466,286 21.151,287 21.151,288 21.151,289 21.151,290 21.151,291 15.899,292 34.714,293 7.045,294 21.949,295 4.462,296 2.075,297 1.074,298 0.809,299 0.721,300 0.691,301 4.392,306 1,307 1405,308 4.416,311 201.311,312 389.653,315 176.669,319 2.777,320 33.612,323 0.75,324 0.67,325 0.83,326 0.5,328 0.67,329 0.5,330 0.56,331 83.5,332 651,333 4.749,334 3.829,335 7.014,336 4.285,337 3.318,338 4.726,339 1.984,340 11.981,341 3.209,342 4.321,343 3.562,344 6.498,345 4.006,346 3.037,347 3.922,348 1.656,349 9.972,350 2.942,351 4.125,352 3.327,353 6.319,354 3.793,355 2.806,356 3.673,357 0.596,358 9.423,359 2.765,360 4.047,361 2.909,362 5.776,363 3.678,364 2.704,365 3.623,366 0.247,367 7.84,368 2.63,369 3.942,370 2.709,371 5.578,372 3.545,373 2.566,374 3.308,375 0.076,376 7.569,377 2.511,378 3.732,379 2.666,380 5.487,381 3.36,382 2.388,383 3.059,385 6.992,386 2.315,387 3.563,388 2.479,389 5.349,390 3.182,391 2.221,392 2.893,394 6.668,395 2.133,396 3.489,397 2.294,398 5.03,399 3.096,400 2.133,401 2.821,403 5.876,404 2.047,405 3.296,406 2.238,407 4.958,408 2.831,409 1.903,410 2.576,412 5.451,413 1.793,414 3.184,415 2.004,416 4.622,417 2.744,418 1.77,419 2.378,421 4.867,422 1.67,423 2.903,424 1.92,425 4.49,426 2.506,427 1.541,428 2.033,430 4.267,431 1.48,432 2.561,433 1.574,434 4.17,435 2.112,436 1.141,437 1.588,439 3.178,440 1.097,441 2.5,442 1.131,443 3.922,444 2,445 1.048,446 1.5,448 2.731,449 1,450 2.5,451 1,452 3.585,453 2,454 1,455 1.5,457 2.275,458 1,459 2.42,460 1,461 3.414,462 1.991,463 1,464 1.383,466 2.275,467 0.979,468 18.8,469 0.482,470 1.138,471 0.029,472 53.75,473 1.378,474 28.5,475 0.731,476 25.25,477 0.647,478 34.391,479 0.882,480 40.6,481 0.597,482 46.086,483 1.182,484 10.599,485 0.272,486 8.108,487 0.208,488 0.163,490 0.388,496 0.78,497 1.192,498 0.751,499 0.92,500 0.675,501 0.875,502 0.675,503 0.921,504 0.792,505 0.801,506 0.522,507 0.771,508 1.085,509 1.091,510 0.964,511 0.996,512 1.025,513 1.036,514 1.237,515 1.102,516 1.019,517 1.022,518 1.352,519 0.99,520 1.164,521 1.092,522 1.253,523 1.162,524 1.065,525 1.01,526 1.139,527 0.959,528 0.969,529 0.867,530 1.056,531 0.886,532 0.699,533 1.085,534 0.939,535 1.084,536 0.668,537 1.075,538 0.963,539 0.974,540 1.148,541 1.125,542 1.029,543 1.014,544 8.5,545 0.297,546 5.111,547 2.778,548 2.389,549 1.47,550 1.052,551 0.601,552 0.521,553 0.514,554 26815,555 71740,556 2.064,557 42.6,558 3,559 15,560 2,561 2,562 4,564 3,567 1.79,568 1.902,569 3.981,570 1.453,577 110.533,578 1.625,579 4.012,580 5.014,581 5.278,582 5.367,583 5.396,584 3.528,585 4.978,586 5.249,587 4.177,588 3095.37,589 9.239,590 54424.2,595 413.947,596 1.497,597 5.202,598 0.198,599 0.007,600 0.082,601 0.043,602 0.038,603 0.026,604 0.02,605 0.012,606 0.011,607 0.011,608 0.449,610 0.75,611 0.987,612 221.751,613 -0.031,614 -0.036,615 0.054,616 0.037,617 -0.1,618 0.035,619 0.17,620 0.186,621 0.125,622 0.179,623 0.103,624 0.168,625 -0.095,626 -0.022,627 -0.075,628 -0.036,629 -0.074,630 -0.102,631 -0.074,632 -0.096,633 0.029,634 0.002,635 -0.07,636 -0.019,637 -0.086,638 -0.065,639 -0.069,640 -0.071,641 -0.023,642 -0.022,643 -0.154,644 0.039,645 -0.001,646 0.094,647 -0.103,648 0.089,649 0.035,650 -0.081,651 -0.002,652 -0.091,653 0.005,654 -0.08,655 0.048,656 0.033,657 -0.036,658 -0.055,659 -0.016,660 -0.018,661 1.979,662 5.413,663 0.667,664 59.813,665 1.002,666 1.123,667 3.049,668 9.298,669 0.691,670 3.784,671 4.143,672 4.431,673 4.7,674 4.913,675 5.05,676 5.231,677 5.412,678 5.545,679 5.677,680 9.41,681 0.655,682 539.72,683 3.784,684 5.352,685 6.217,686 7.109,687 7.992,688 8.89,689 9.782,690 10.684,691 11.584,692 12.49,693 10.3,697 1,700 3,701 1,703 2,708 2,709 12,710 2,713 1,714 8,715 1,716 27,727 1,735 68,737 29,738 2,739 43,741 72,742 29,743 22,744 4,745 8,748 5,749 6,753 1,754 2,760 1,762 24,763 5,767 2,772 2,776 2,783 29,784 8,785 4,786 10,787 1,792 7,797 0.8,798 2,807 1,809 1,815 2,816 3,819 1,830 1,843 4,845 1,847 4,851 39,852 1,860 2,863 1,864 1,869 1,874 2.9,877 2,881 20.5,882 13.467,883 8.417,884 3.807,886 5.226,887 1.591,888 1.008,889 7.687,890 14.072,891 4.086,892 4.732,893 5.352,894 5.982,895 6.518,896 6.927,897 7.429,898 7.933,899 8.336,900 8.764,901 1,902 64,903 14.391,905 6.145,906 7.761,907 27.303,909 22.362,911 2.261,912 88.167,916 294.278,917 212.391,918 107.268,920 50.29,922 31.278,923 181.113,924 344.567,925 107.268,926 34.443,927 39.146,928 125.404,929 111.985,930 43.886,931 30.892,932 278.471,934 294.278,935 288.381,936 50.29,937 31.278,939 258.964,940 85.603,943 76.668,944 178.265,945 33.449,946 31.278,947 294.278,948 157.558,949 212.391,952 294.278,953 67.346,954 149.945,955 36.022,956 116.636,957 294.278,958 157.558,959 212.391,961 0.594,962 0.349,963 0.181,964 0.095,965 30,966 15,967 0.083,968 6,969 1,970 1.077,971 4.873,972 386.26,973 0.077,974 26,975 196.131,977 1,981 26.851,982 11.166,983 5.675,984 1.851,985 155.781,986 22.626,987 8.897,990 1.578,991 6.634,992 1.662,993 68.919,994 664.226,995 58.5,1000 24.807,1004 -0.345,1007 68.163,1008 76.394,1009 0.267,1010 0.659,1011 0.824,1012 0.867,1013 0.882,1014 0.886,1015 5.336,1016 2.133,1017 6.225,1018 6.668,1019 4.828,1020 5.421,1021 2.567,1022 7.064,1023 4.759,1024 6.57,1025 1.903,1026 7.808,1027 5.876,1028 4.511,1029 5.293,1030 2.029,1031 8.026,1032 4.429,1033 7.892,1034 1.77,1035 9.488,1036 5.451,1037 6.457,1038 7.666,1039 3.461,1040 11.143,1041 6.33,1042 9.251,1043 1.541,1044 11.226,1045 4.867,1046 6.938,1047 8.372,1048 3.523,1049 12.949,1050 6.793,1051 10.64,1052 1.141,1053 13.001,1054 4.267,1055 8.374,1056 10.224,1057 4.573,1058 15.608,1059 8.192,1060 12.052,1061 1.048,1062 14.804,1063 3.178,1064 9.211,1065 11.335,1066 4.914,1067 17.779,1068 9.004,1069 13.482,1070 1,1071 16.627,1072 2.731,1073 10.46,1074 12.983,1075 5.784,1076 20.295,1077 10.22,1078 3.318,1079 1,1080 18.467,1081 2.275,1082 11.467,1083 14.307,1084 6.274,1085 22.628,1086 11.196,1087 3.037,1088 11.981,1089 20.321,1090 2.275,1091 12.649,1092 15.875,1093 7.052,1094 25.101,1095 12.346,1096 2.806,1097 9.972,1098 22.186,1099 4.726,1100 13.738,1101 17.309,1102 7.625,1103 27.508,1104 13.401,1105 2.704,1106 9.423,1107 24.061,1108 3.922,1109 14.901,1110 18.851,1111 8.355,1112 29.972,1113 14.53,1114 2.566,1115 7.84,1116 25.945,1117 3.673,1118 16.03,1119 20.341,1120 8.975,1121 32.414,1122 15.625,1123 2.388,1124 7.569,1125 27.835,1126 3.623,1127 17.192,1128 21.878,1129 9.681,1130 34.88,1131 16.752,1132 2.221,1133 6.992,1134 29.732,1135 3.308,1136 18.343,1137 23.396,1138 10.327,1139 37.339,1140 17.868,1141 25420,1142 41774,1143 28.263,1144 46.972,1145 66.102,1146 67.381,1147 67.935,1148 65.089,1149 65.102,1150 87.431,1151 9.119,1152 192.462,1153 62.726,1154 5.614,1155 5.829,1156 6.428,1157 5.398,1158 5.318,1159 7.726,1160 3.451,1161 19.554,1162 5.209,1163 23.498,1164 1.537,1165 1.567,1166 1.58,1167 1.514,1168 1.514,1169 2.033,1170 0.212,1171 4.476,1172 1.459,1173 4.144,1174 4.164,1175 4.346,1176 4.138,1177 7.432,1178 4.101,1179 3.942,1180 3.986,1181 3.905,1182 3.861,1183 7.426,1184 3.858,1185 3.925,1186 3.962,1187 3.884,1188 3.811,1189 5.191,1190 3.818,1191 3.821,1192 3.857,1193 3.799,1194 3.702,1195 4.931,1196 3.708,1197 3.619,1198 3.684,1199 3.556,1200 3.424,1201 4.784,1202 3.437,1203 3.449,1204 3.5,1205 3.424,1206 3.205,1207 4.742,1208 3.238,1209 3.315,1210 3.393,1211 3.387,1212 3.148,1213 4.563,1214 3.14,1215 3.256,1216 3.319,1217 3.115,1218 3.082,1219 4.245,1220 3.065,1221 0.11,1222 0.089,1223 0.163,1224 0.1,1225 0.077,1226 4.749,1227 0.11,1228 3.829,1229 0.046,1230 7.014,1231 0.279,1232 4.285,1233 0.075,1234 3.318,1235 4.726,1236 1.984,1237 11.981,1238 3.209,1239 1.966,1240 1.947,1241 2.044,1242 2.049,1243 1.191,1244 2.047,1245 1.913,1246 1.884,1247 2.028,1248 2.008,1249 1.131,1250 2.015,1251 1.847,1252 1.828,1253 1.91,1254 1.961,1255 1.089,1256 1.95,1257 1.704,1258 1.647,1259 1.871,1260 1.923,1261 1.035,1262 1.916,1263 1.466,1264 1.44,1265 1.719,1266 1.703,1267 0.798,1268 1.708,1269 1.402,1270 1.313,1271 1.571,1272 1.632,1273 0.691,1274 1.611,1275 1.318,1276 1.263,1277 1.533,1278 1.533,1279 0.619,1280 1.535,1281 1.245,1282 1.216,1283 1.417,1284 1.381,1285 0.509,1286 1.409,1287 4.466,1289 5.814,1290 3.045,1291 7.343,1292 5.352,1293 8.955,1294 7.445,1295 10.613,1297 7.278,1301 6.35,1305 5.694,1308 -0.42,1309 1.553,1314 44.561,1315 110.533,1316 272.822,1317 340.928,1318 358.928,1319 364.928,1320 366.928,1321 73.659,1322 8.846,1323 118.17,1324 146.41,1325 28,1326 13.009,1327 4.907,1328 4.044,1329 61.831,1330 217,1331 252,1332 0.136,1333 277.681,1334 470.09,1335 669.302,1336 105330,1338 27.681,1339 0.71,1340 0.588,1341 28.035,1342 22.913,1343 18.706,1344 0.435,1345 0.308,1346 12.288,1347 17.612,1348 11.76,1349 9.852,1350 19.161,1351 13.254,1352 17.48,1353 0.282,1354 0.168,1355 18.004,1356 10.43,1357 14.832,1358 0.179,1359 0.09,1360 15.536,1361 7.509,1362 12.035,1363 0.11,1364 0.05,1365 13.003,1366 5.444,1367 9.439,1368 0.07,1369 0.026,1370 10.306,1371 3.546,1372 0.221,1373 121.267,1374 0.188,1375 35.771,1376 0.357,1377 210,1378 588.89,1379 249.672,1380 602.422,1381 830.12,1382 562,1383 250,1384 608.416,1385 289.55,1386 637.391,1387 928.11,1388 596,1389 6.7}
{0 CHEMBL2001547,1 1.695,2 10.129,3 4.122,4 16.988,5 113.578,6 8.009,7 0.647,8 4.086,9 4.208,10 3.703,11 3.59,12 5.284,13 3.598,14 4.605,15 4.783,16 4.113,17 3.966,18 5.826,19 3.971,20 4.86,21 5.054,22 4.175,23 4.091,24 6.101,25 4.078,26 4.93,27 5.179,28 4.189,29 4.094,30 6.177,31 4.075,32 4.811,33 5.007,34 4.204,35 4.131,36 6.008,37 4.111,38 4.88,39 5.078,40 4.242,41 4.177,42 6.136,43 4.155,44 4.913,45 5.11,46 4.187,47 4.163,48 6.159,49 4.124,50 4.943,51 5.183,52 3.993,53 4.045,54 6.157,55 3.965,56 0.118,57 0.969,58 9.554,59 4.477,60 15.489,61 5.531,62 0.324,63 1.517,64 18.808,65 7.385,66 32.652,67 9.523,68 0.682,69 1.839,70 26.797,71 9.089,72 82.164,73 11.302,74 0.898,75 1.981,76 31.783,77 8.848,78 112.794,79 12.594,80 0.56,81 1.796,82 24.111,83 8.536,84 47.255,85 11.518,86 0.591,87 1.951,88 25.824,89 9.053,90 56.772,91 12.069,92 0.561,93 2.038,94 27.292,95 10.31,96 59.386,97 13.181,98 0.81,99 1.892,100 31.505,101 10.559,102 87.322,103 14.154,104 43,105 50,106 0.279,107 0.644,108 0.8,109 0.863,110 0.863,111 0.863,112 3.473,113 0.871,114 -4.29,115 -4.22,116 -3.99,119 41.5,120 3,121 1,125 1,130 1,142 4,143 1,144 2,145 2,146 3,150 1,151 1,152 1,161 1,172 3,174 2,175 4,178 2,180 2,183 4,187 3,188 6,192 1,193 2,196 1,199 1,200 7,205 1,208 1,212 1,213 8,216 3,221 2,224 2,225 6,228 1,230 1,233 5,238 4,243 2,246 6,249 1,250 5,253 2,255 3,258 2,264 3,267 1,269 2,272 2,276 1759,277 20.472,278 20.472,279 20.472,280 20.472,281 20.472,282 17.895,283 16.265,284 11.75,285 21.026,286 16.736,287 16.736,288 16.736,289 16.736,290 16.736,291 12.777,292 17.95,293 5.503,294 17.736,295 4.033,296 1.821,297 0.878,298 0.496,299 0.496,300 0.496,301 4.163,305 1,306 1,307 666,308 3.742,311 62.349,312 254.941,315 122.389,319 1.44,320 44.888,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 69,332 314,333 4.778,334 3.416,335 7.089,336 4.319,337 3.368,338 4.73,339 0.4,340 12.312,341 3.204,342 4.266,343 3.35,344 6.398,345 4.055,346 3.104,347 3.946,349 9.963,350 2.942,351 4.143,352 3.141,353 6.384,354 3.827,355 2.869,356 3.73,358 9.689,359 2.737,360 4.065,361 2.824,362 6.085,363 3.656,364 2.71,365 3.238,367 8.747,368 2.566,369 3.756,370 2.704,371 5.443,372 3.32,373 2.39,374 3.085,376 7.115,377 2.213,378 3.501,379 2.518,380 5.193,381 3.079,382 2.147,383 2.848,385 6.244,386 1.986,387 3.21,388 2.047,389 5.013,390 2.789,391 1.847,392 2.46,394 5.579,395 1.734,396 3.116,397 1.96,398 4.748,399 2.619,400 1.7,401 2.378,403 4.818,404 1.547,405 2.891,406 1.491,407 4.268,408 2.378,409 1.437,410 2.058,412 3.643,413 1.344,414 2.714,415 1.342,416 4.039,417 2.224,418 1.27,419 1.808,421 3.193,422 1.209,423 2.585,424 1.149,425 3.606,426 2.055,427 1.1,428 1.626,430 2.652,431 1.046,432 2.261,433 0.965,434 3.474,435 1.824,436 0.882,437 1.175,439 2.145,440 0.829,441 1.762,442 0.876,443 3.319,444 1.555,445 0.635,446 0.698,448 1.518,449 0.583,450 1.593,451 0.446,452 2.957,453 1.304,454 0.344,455 0.419,457 0.61,458 0.329,459 1.302,460 0.307,461 2.676,462 0.919,468 14.305,469 0.461,470 0.994,471 0.032,472 41.5,473 1.339,474 20.5,475 0.661,476 21,477 0.677,478 27.458,479 0.886,480 33.695,481 0.636,482 34.261,483 1.105,484 7.998,485 0.258,486 6.766,487 0.218,488 0.168,489 0.035,490 0.343,494 2,496 0.708,497 1.207,498 0.709,499 1.103,500 0.657,501 0.95,502 0.688,503 1.035,504 0.653,505 0.973,506 0.583,507 0.837,508 1.178,509 1.103,510 1.022,511 0.982,512 1.167,513 0.972,514 0.854,515 0.809,516 0.8,517 0.659,518 0.665,519 0.676,520 0.683,521 0.934,522 0.844,523 0.928,524 0.594,525 0.918,526 0.756,527 0.934,528 0.925,529 0.986,530 0.631,531 0.984,532 0.936,533 1.222,534 1.032,535 1.249,536 0.951,537 1.188,538 0.908,539 1.048,540 1.111,541 1.188,542 0.979,543 1.209,544 7.5,545 0.277,546 3.556,547 2.542,548 2.229,549 1.535,550 0.874,551 0.774,552 0.512,553 0.411,554 11159,555 34283,556 2.038,557 41.5,558 3,559 6,560 1,561 2,562 2,563 2,564 6,567 1.746,568 1.869,569 3.268,570 0.257,572 1,577 89.855,578 1.695,579 3.907,580 4.85,581 5.232,582 5.232,583 5.232,584 2.719,585 4.736,586 4.921,587 3.48,588 1618.02,589 8.649,590 22220.4,592 1,594 1,595 303.58,596 1.663,597 4.859,598 0.221,599 0.013,600 0.071,601 0.05,602 0.043,603 0.028,604 0.016,605 0.015,606 0.013,607 0.013,608 0.484,609 0.17,610 1,611 1.193,612 157.7,613 -0.071,614 -0.187,615 0.03,616 -0.059,617 -0.09,618 -0.003,619 0.042,620 -0.071,621 0.191,622 0.017,623 0.067,624 0.115,625 -0.136,626 -0.103,627 -0.091,628 -0.016,629 -0.147,630 -0.045,631 0.038,632 0.131,633 0.183,634 0.257,635 0.125,636 0.272,637 0.039,638 0.023,639 0.018,640 0.034,641 0.015,642 0.023,643 0.005,644 0.044,645 -0.055,646 -0.031,647 0.032,648 -0.051,649 -0.025,650 -0.17,651 -0.125,652 -0.237,653 -0.039,654 -0.218,655 0.064,656 -0.052,657 -0.122,658 -0.207,659 -0.002,660 -0.222,661 2.384,662 6.696,663 0.677,664 29.798,665 1.017,666 1.144,667 3.057,668 9.346,669 0.664,670 3.555,671 3.932,672 4.19,673 4.522,674 4.82,675 5.004,676 5.198,677 5.375,678 5.476,679 5.517,680 6.246,681 0.648,682 424.5,683 3.555,684 5.13,685 5.989,686 6.903,687 7.79,688 8.712,689 9.616,690 10.542,691 11.456,692 12.386,693 11.3,698 1,701 1,703 4,708 1,709 7,710 4,714 8,716 22,728 1,734 2,735 53,737 22,738 1,739 34,741 56,742 22,743 16,744 3,745 3,748 4,749 5,754 3,760 1,762 16,763 6,764 1,780 1,781 2,783 22,784 8,785 2,786 9,789 1,792 6,797 0.75,798 1,801 1,806 1,810 1,815 1,816 3,819 1,841 1,843 3,847 3,849 2,851 31,857 1,858 2,860 1,865 1,873 2,874 1.9,875 1,881 16.583,882 10.569,883 6.653,884 3.221,886 4.274,887 1.538,888 0.958,889 5.593,890 12.216,891 3.829,892 4.503,893 5.138,894 5.824,895 6.454,896 6.918,897 7.441,898 7.96,899 8.356,900 8.722,901 0.857,902 51,903 11.535,905 5.064,906 8.008,907 21.334,909 17.458,911 2.508,912 77.75,915 1,916 235.422,917 132.232,918 86.439,920 42.683,921 29.92,923 132.232,924 278.105,925 116.36,926 26.476,927 4.64,928 89.636,929 110.41,930 49.079,931 46.347,932 200.109,934 235.422,935 218.671,936 72.604,939 194.716,940 70.627,941 42.683,943 62.382,944 71.137,945 85.153,947 265.342,948 129.123,949 132.232,952 235.422,953 40.709,954 92.809,955 18.011,956 139.746,957 235.422,958 159.043,959 132.232,961 0.592,962 0.329,963 0.183,964 0.109,965 25,966 12,967 0.107,968 6,969 1,970 1.095,971 3.981,972 296.221,973 0.095,974 21,975 151.58,981 21.14,982 8.201,983 4.351,984 0.573,985 157.756,986 10.032,987 17.765,991 1.183,993 60.694,994 526.697,995 45,1007 53.916,1008 60.615,1009 0.296,1010 0.682,1011 0.847,1012 0.913,1013 0.913,1014 0.913,1015 5.091,1016 1.7,1017 6.028,1018 5.579,1019 4.615,1020 5.19,1021 0.278,1022 6.907,1023 4.5,1024 6.346,1025 1.437,1026 7.632,1027 4.818,1028 4.443,1029 5.156,1031 8.069,1032 4.263,1033 7.69,1034 1.27,1035 9.339,1036 3.643,1037 6.315,1038 7.488,1039 0.05,1040 11.115,1041 6.098,1042 9.071,1043 1.1,1044 11.106,1045 3.193,1046 6.909,1047 8.247,1049 13.054,1050 6.631,1051 10.481,1052 0.882,1053 12.911,1054 2.652,1055 8.322,1056 10.1,1057 0.008,1058 15.696,1059 8.006,1060 11.913,1061 0.635,1062 14.741,1063 2.145,1064 9.242,1065 11.251,1067 17.945,1068 8.87,1069 13.362,1070 0.344,1071 16.591,1072 1.518,1073 10.493,1074 12.908,1075 0.001,1076 20.468,1077 10.079,1078 3.368,1080 18.454,1081 0.61,1082 11.556,1083 14.259,1085 22.851,1086 11.089,1087 3.104,1088 12.312,1089 20.329,1091 12.752,1092 15.836,1094 25.342,1095 12.239,1096 2.869,1097 9.963,1098 22.214,1099 4.73,1100 13.879,1101 17.287,1103 27.787,1104 13.315,1105 2.71,1106 9.689,1107 24.107,1108 3.946,1109 15.06,1110 18.837,1112 30.275,1113 14.448,1114 2.39,1115 8.747,1116 26.007,1117 3.73,1118 16.218,1119 20.336,1121 32.749,1122 15.555,1123 2.147,1124 7.115,1125 27.912,1126 3.238,1127 17.398,1128 21.878,1130 35.241,1131 16.687,1132 1.847,1133 6.244,1134 29.823,1135 3.085,1136 18.572,1137 23.402,1139 37.73,1140 17.811,1141 10937,1142 19356,1143 22.076,1144 35.216,1145 52.225,1146 52.496,1147 53.676,1148 51.735,1149 51.608,1150 68.4,1151 0.8,1152 156.458,1153 48.536,1154 5.623,1155 5.416,1156 6.676,1157 5.393,1158 5.368,1159 7.73,1160 0.8,1161 19.925,1162 5.204,1163 18.209,1164 1.536,1165 1.544,1166 1.579,1167 1.522,1168 1.518,1169 2.012,1170 0.024,1171 4.602,1172 1.428,1173 4.164,1174 4.209,1175 4.147,1176 4.018,1177 8.211,1178 4.044,1179 3.867,1180 3.896,1181 3.834,1182 3.766,1183 8.191,1184 3.777,1185 3.824,1186 3.885,1187 3.771,1188 3.642,1189 6.449,1190 3.664,1191 3.679,1192 3.731,1193 3.561,1194 3.528,1195 5.117,1196 3.528,1197 3.45,1198 3.528,1199 3.317,1200 3.282,1201 4.937,1202 3.277,1203 3.238,1204 3.3,1205 3.131,1206 3.081,1207 4.556,1208 3.089,1209 3.094,1210 3.191,1211 2.937,1212 2.852,1213 4.328,1214 2.861,1215 2.904,1216 3.009,1217 2.864,1218 2.733,1219 4.14,1220 2.735,1221 0.141,1222 0.1,1223 0.208,1224 0.127,1225 0.099,1226 4.778,1227 0.139,1228 3.416,1229 0.012,1230 7.089,1231 0.362,1232 4.319,1233 0.094,1234 3.368,1235 4.73,1236 0.4,1237 12.312,1238 3.204,1239 1.924,1240 1.896,1241 1.996,1242 2.089,1243 1.156,1244 2.061,1245 1.873,1246 1.833,1247 1.962,1248 1.999,1249 1.143,1250 1.987,1251 1.756,1252 1.705,1253 1.939,1254 1.951,1255 1.084,1256 1.943,1257 1.659,1258 1.61,1259 1.822,1260 1.839,1261 0.902,1262 1.841,1263 1.429,1264 1.355,1265 1.69,1266 1.643,1267 0.724,1268 1.672,1269 1.233,1270 1.184,1271 1.417,1272 1.429,1273 0.54,1274 1.421,1275 1.06,1276 0.964,1277 1.414,1278 1.332,1279 0.469,1280 1.337,1281 0.934,1282 0.805,1283 1.299,1284 1.239,1285 0.385,1286 1.308,1287 4.234,1289 5.595,1290 2.398,1291 7.141,1292 4.844,1293 8.775,1294 7.081,1295 10.457,1297 5.296,1299 28.215,1302 9.966,1303 0.876,1305 2.998,1310 -0.952,1314 34.351,1315 89.855,1316 207.068,1317 257.05,1318 277.315,1319 277.315,1320 277.315,1321 72.964,1322 7.943,1323 88.23,1324 88.23,1325 23,1326 12.891,1327 4.524,1328 3.585,1329 48.952,1330 109,1331 125,1332 0.212,1333 210.113,1334 356.65,1335 504.435,1336 29645,1337 3.8,1338 22.173,1339 0.715,1340 0.561,1341 20.433,1342 17.395,1343 14.764,1344 0.434,1345 0.29,1346 9.704,1347 14.054,1348 9.418,1349 7.836,1350 13.96,1351 9.876,1352 14.355,1353 0.287,1354 0.156,1355 13.194,1356 7.786,1357 11.043,1358 0.17,1359 0.073,1360 10.251,1361 4.714,1362 9.6,1363 0.105,1364 0.036,1365 8.884,1366 3.264,1367 8.099,1368 0.066,1369 0.018,1370 7.728,1371 2.27,1372 0.323,1373 93.533,1374 0.213,1375 28.422,1376 0.619,1377 168,1378 602.93,1379 190.669,1380 534.932,1381 722.41,1382 498,1383 199,1384 535.824,1385 221.246,1386 529.436,1387 780.04,1388 498,1389 5.1}
{0 CHEMBL2001668,1 1.773,2 6.529,3 2.028,4 4.112,5 72.116,6 13.485,7 0.579,8 3.372,9 3.471,10 3.458,11 3.081,12 4.579,13 3.027,14 3.831,15 3.953,16 3.938,17 3.496,18 5.078,19 3.402,20 4.017,21 4.179,22 4.19,23 3.539,24 5.238,25 3.431,26 3.912,27 4.085,28 4.024,29 3.479,30 5.188,31 3.29,32 3.651,33 3.848,34 3.737,35 3.163,36 4.762,37 3.001,38 3.45,39 3.618,40 3.596,41 3.083,42 4.639,43 2.907,44 3.432,45 3.596,46 3.537,47 3.042,48 4.689,49 2.765,50 3.143,51 3.374,52 2.888,53 2.556,54 4.26,55 2.202,56 0.039,57 0.376,58 2.313,59 1.7,60 3.429,61 1.74,62 0.185,63 0.62,64 4.477,65 3.029,66 7.822,67 3.122,68 0.122,69 0.735,70 19.347,71 5.845,72 16.39,73 4.643,74 0.221,75 0.655,76 20.278,77 5.522,78 27.205,79 4.348,80 0.106,81 0.498,82 20.139,83 4.905,84 11.674,85 3.713,86 0.074,87 0.393,88 7.142,89 2.909,90 6.844,91 2.835,92 0.108,93 0.386,94 25.114,95 4.727,96 14.501,97 3.132,98 0.103,99 0.282,100 26.686,101 4.363,102 15.355,103 3.048,104 5,105 27,106 0.347,107 0.664,108 0.765,109 0.825,110 0.846,111 0.846,112 2.91,113 0.971,114 -4.06,115 -4,116 -3.79,119 48,137 1,138 1,142 5,143 1,146 1,151 1,159 1,161 1,172 6,174 2,175 1,178 2,183 6,188 5,193 1,196 3,199 1,200 4,203 1,213 5,218 1,221 1,225 3,230 2,233 2,238 2,243 2,246 2,250 1,255 1,258 1,276 261,277 11.569,278 11.569,279 11.569,280 11.569,281 11.569,282 9.921,283 8.668,284 6.801,285 11.945,286 9.377,287 9.377,288 9.377,289 9.377,290 9.377,291 6.888,292 10.187,293 3.24,294 10.099,295 2.871,296 1.25,297 0.735,298 0.43,299 0.32,300 0.32,301 3.585,305 1,306 1,307 241,308 1.732,311 28.778,312 85.652,315 57.669,319 1.087,320 12.639,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 35.9,332 111,333 4.56,334 3.705,335 6.708,336 4.122,337 3.196,338 4.252,339 1.629,340 10.868,341 2.961,342 4.058,343 3.02,344 6.062,345 3.671,346 2.698,347 3.578,348 0.142,349 8.735,350 2.603,351 3.588,352 2.757,353 5.491,354 3.101,355 2.199,356 2.833,358 6.724,359 1.95,360 3.383,361 2.143,362 4.658,363 2.858,364 1.91,365 2.703,367 4.951,368 1.721,369 2.965,370 1.644,371 4.268,372 2.481,373 1.534,374 2.101,376 3.805,377 1.388,378 2.5,379 1.269,380 3.618,381 2,382 1,383 1.5,385 2.521,386 1,387 2.466,388 1.036,389 3.484,390 1.971,391 1,392 1.439,394 2.136,395 0.968,396 2.243,397 1,398 3.247,399 1.626,400 0.714,401 1.051,403 2.032,404 0.606,405 1.455,406 0.909,407 2.738,408 1.01,409 0.175,410 0.207,412 0.379,413 0.063,414 0.754,415 -0.092,416 2.394,417 0.322,418 -0.666,419 -0.895,421 -1.536,422 -0.436,423 0.5,424 -0.632,425 2.343,427 -1,428 -1.19,430 -2.347,431 -0.679,432 0.451,433 -0.846,434 1.573,435 -0.049,436 -1,437 -1.344,439 -2.368,440 -0.946,441 0.334,442 -0.996,443 1.555,444 -0.169,445 -1,446 -1.5,448 -3.281,449 -1,450 0.07,451 -1,452 1.424,453 -0.439,454 -1.327,455 -1.824,457 -3.681,458 -1.252,459 -0.279,460 -1.402,461 1.382,462 -0.829,463 -1.578,464 -2.074,466 -4.503,467 -1.425,468 9.176,469 0.54,470 0.418,471 0.025,472 24.5,473 1.441,474 13,475 0.765,476 11.5,477 0.676,478 11.251,479 0.662,480 16.024,481 0.641,482 13.562,483 0.798,484 4.678,485 0.275,486 3.576,487 0.21,488 0.215,490 0.316,496 0.771,497 1.165,498 0.448,499 0.512,500 0.556,501 0.649,502 0.477,503 0.885,504 0.562,505 0.578,506 0.548,507 0.763,508 0.991,509 1.294,510 0.911,511 1.071,512 0.922,513 1.014,514 1.186,515 0.88,516 1.056,517 0.954,518 1.308,519 0.952,520 0.928,521 0.943,522 0.999,523 1.063,524 0.738,525 1.004,526 0.908,527 0.887,528 0.797,529 0.751,530 0.727,531 0.86,532 1.51,533 1.049,534 1.768,535 1.615,536 1.669,537 1.431,538 1.487,539 0.977,540 1.8,541 1.684,542 1.76,543 1.502,544 3,546 2.222,547 1.035,548 1.091,549 0.483,550 0.209,551 0.089,552 0.05,554 2292,555 7793,556 2.127,557 32,559 5,560 2,562 1,567 1.572,568 2,569 2.756,570 -0.198,574 1,575 1,577 44.322,578 1.773,579 3.393,580 3.909,581 4.214,582 4.324,583 4.324,584 2.184,585 2.793,586 4.061,587 2.847,588 387.227,589 6.879,590 3411.86,591 1,592 1,594 1,595 116.096,596 1.379,597 4.023,598 0.158,600 0.082,601 0.04,602 0.052,603 0.032,604 0.015,605 0.009,606 0.013,608 0.401,609 0.67,610 1,611 0.604,612 68.823,613 -0.091,614 -0.184,615 -0.002,616 -0.006,617 -0.079,619 0.332,620 0.134,621 -0.002,622 0.03,623 0.046,624 -0.057,625 -0.063,626 -0.346,627 -0.005,628 -0.165,629 -0.001,630 -0.09,631 -0.033,632 0.114,633 -0.042,634 0.055,635 -0.083,636 0.005,637 -0.089,638 0.018,639 -0.016,640 -0.078,641 0.014,642 0.019,643 -0.078,644 0.036,645 0.018,646 0.098,647 0.091,648 0.081,649 -0.301,650 -0.108,651 -0.176,652 -0.159,653 -0.203,654 -0.319,655 -0.237,656 -0.075,657 -0.185,658 -0.159,659 -0.229,660 -0.19,661 1.838,662 4.64,663 0.882,664 9.626,665 1.014,666 1.107,667 2.826,668 7.987,669 0.817,670 2.996,671 3.332,672 3.638,673 3.912,674 4.143,675 4.19,676 4.22,677 4.29,678 4.205,679 4.043,680 4.132,681 0.747,682 337.13,683 2.996,684 4.533,685 5.398,686 6.286,687 7.174,688 8.069,689 8.966,690 9.865,691 10.765,692 11.666,693 12,700 1,701 1,703 1,709 6,710 1,714 3,715 1,716 11,735 25,737 13,738 1,739 19,741 27,742 12,743 9,744 1,745 5,746 3,747 1,748 3,749 4,753 1,762 12,766 1,767 2,772 1,774 1,776 2,780 1,783 8,784 3,785 1,786 5,787 1,788 1,789 1,792 3,797 0.667,798 1,815 1,816 2,819 1,834 1,843 2,850 1,851 17,860 1,873 1,874 4,877 1,881 8.5,882 4.543,883 3.694,884 1.393,886 2.497,887 1.387,888 1.059,889 2.662,890 8.949,891 3.314,892 3.927,893 4.539,894 5.137,895 5.626,896 5.943,897 6.279,898 6.649,899 6.883,900 7.028,901 1,902 26,903 6.242,905 2.671,906 7.791,907 11.804,909 9.643,911 2.291,912 38.953,913 0.002,916 82.398,917 136.464,918 36.695,920 25.145,922 56.782,923 79.682,924 107.543,925 36.695,927 27.058,928 56.429,929 45.918,930 7.841,931 27.818,932 115.638,934 82.398,935 116.377,936 25.145,938 56.782,939 82.398,940 25.145,943 24.995,944 72.937,945 18.445,946 56.782,947 82.398,948 61.84,949 79.682,950 56.782,952 82.398,953 14.206,954 124.157,955 18.011,956 41.93,957 82.398,958 61.84,959 79.682,960 56.782,961 0.586,962 0.35,963 0.191,964 0.108,965 15,966 6,967 0.037,968 1,969 1,970 1.133,971 2.95,972 124.014,973 0.133,974 15,975 65.487,981 10.83,982 4.178,983 1.861,985 59.941,986 11.566,987 4.479,991 2.5,992 1.532,993 18.011,994 280.702,995 26.5,1000 11.64,1002 1.667,1004 0.75,1007 25.353,1008 27.671,1009 0.382,1010 0.731,1011 0.842,1012 0.907,1013 0.931,1014 0.931,1015 4.541,1016 0.714,1017 5.389,1018 2.136,1019 4.007,1020 4.61,1021 1.701,1022 6.225,1023 3.868,1024 5.762,1025 0.175,1026 6.963,1027 2.032,1028 3.611,1029 4.369,1030 1.195,1031 7.168,1032 3.335,1033 7.078,1034 -0.666,1035 8.641,1036 0.379,1037 5.617,1038 6.805,1039 2.344,1040 10.298,1041 5.357,1042 8.432,1043 -1,1044 10.38,1045 -1.536,1046 6.066,1047 7.422,1048 2.262,1049 12.084,1050 5.676,1051 9.819,1052 -1,1053 12.157,1054 -2.347,1055 7.542,1056 9.293,1057 3.143,1058 14.723,1059 7.149,1060 11.23,1061 -1,1062 13.96,1063 -2.368,1064 8.373,1065 10.32,1066 3.301,1067 16.846,1068 7.866,1069 12.659,1070 -1.327,1071 15.782,1072 -3.281,1073 9.643,1074 11.951,1075 4.023,1076 19.317,1077 9.106,1078 3.196,1079 -1.578,1080 17.618,1081 -3.681,1082 10.65,1083 13.184,1084 4.321,1085 21.583,1086 10.011,1087 2.698,1088 10.868,1089 19.464,1090 -4.503,1091 11.841,1092 14.707,1093 4.946,1094 23.993,1095 11.151,1096 2.199,1097 8.735,1098 21.319,1099 4.252,1100 12.927,1101 16.044,1102 5.326,1103 26.323,1104 12.144,1105 1.91,1106 6.724,1107 23.179,1108 3.578,1109 14.09,1110 17.519,1111 5.892,1112 28.712,1113 13.243,1114 1.534,1115 4.951,1116 25.046,1117 2.833,1118 15.213,1119 18.908,1120 6.319,1121 31.069,1122 14.278,1123 1,1124 3.805,1125 26.917,1126 2.703,1127 16.368,1128 20.363,1129 6.852,1130 33.452,1131 15.361,1132 1,1133 2.521,1134 28.791,1135 2.101,1136 17.508,1137 21.778,1138 7.305,1139 35.823,1140 16.417,1141 2247,1142 4252,1143 12.83,1144 20.415,1145 29.332,1146 30.335,1147 29.596,1148 29.003,1149 28.853,1150 39.327,1151 3.542,1152 84.303,1153 26.52,1154 5.388,1155 5.705,1156 6.51,1157 5.196,1158 5.196,1159 7.252,1160 2.86,1161 17.967,1162 4.961,1163 6.575,1164 1.544,1165 1.597,1166 1.558,1167 1.526,1168 1.519,1169 2.07,1170 0.186,1171 4.437,1172 1.396,1173 4.057,1174 4.098,1175 10.695,1176 4.009,1177 7.43,1178 3.948,1179 3.816,1180 3.852,1181 4.006,1182 3.826,1183 4.945,1184 3.723,1185 3.335,1186 3.392,1187 3.736,1188 3.46,1189 4.669,1190 3.228,1191 3.046,1192 3.046,1193 3.232,1194 2.986,1195 4.244,1196 2.894,1197 2.854,1198 2.925,1199 2.857,1200 2.735,1201 3.674,1202 2.715,1203 2.76,1204 2.823,1205 2.687,1206 2.618,1207 3.552,1208 2.613,1209 2.265,1210 2.344,1211 2.646,1212 2.429,1213 3.541,1214 2.055,1215 2.046,1216 2.167,1217 2.083,1218 2.023,1219 3.167,1220 1.853,1221 0.24,1222 0.195,1223 0.353,1224 0.217,1225 0.168,1226 4.56,1227 0.224,1228 3.705,1229 0.086,1230 6.708,1231 0.572,1232 4.122,1233 0.156,1234 3.196,1235 4.252,1236 1.629,1237 10.868,1238 2.961,1239 1.907,1240 1.881,1241 2.022,1242 1.986,1243 1.097,1244 1.998,1245 1.723,1246 1.685,1247 1.741,1248 1.929,1249 0.875,1250 1.892,1251 1.339,1252 1.3,1253 1.445,1254 1.479,1255 0.537,1256 1.479,1257 0.911,1258 0.873,1259 1.181,1260 1.166,1261 0.218,1262 1.137,1263 0.886,1264 0.821,1265 1.073,1266 1.062,1267 0.151,1268 1.107,1269 0.77,1270 0.718,1271 0.886,1272 1.015,1274 0.999,1275 0.585,1276 0.525,1277 0.804,1278 0.804,1280 0.829,1283 0.381,1284 0.264,1286 0.267,1287 3.664,1289 4.99,1290 2.398,1291 6.524,1292 4.727,1293 8.149,1294 6.88,1295 9.821,1300 2.154,1305 2.667,1314 18.676,1315 44.322,1316 84.835,1317 97.732,1318 105.342,1319 108.096,1320 108.096,1321 19.081,1322 6.452,1323 50.16,1324 50.16,1325 17,1326 12.187,1327 3.807,1328 3.087,1329 23.648,1330 43,1331 38,1332 0.293,1333 125.171,1334 205.87,1335 297.176,1336 4427,1337 4,1338 11.828,1339 0.696,1340 0.64,1341 13.328,1342 10.88,1343 8.254,1344 0.434,1345 0.324,1346 5.069,1347 7.318,1348 4.923,1349 4.065,1350 9.12,1351 6.151,1352 7.489,1353 0.277,1354 0.177,1355 8.602,1356 4.79,1357 6.555,1358 0.177,1359 0.09,1360 7.631,1361 3.324,1362 5.398,1363 0.11,1364 0.046,1365 6.223,1366 2.247,1367 4.487,1368 0.072,1369 0.025,1370 5.546,1371 1.557,1372 0.434,1373 65.069,1374 0.279,1375 16.763,1376 0.876,1377 92,1378 281.007,1379 249.867,1380 316.377,1381 425.18,1382 294,1383 110,1384 290.608,1385 181.858,1386 308.927,1387 456.15,1388 291,1389 5.1}
{0 CHEMBL2001751,1 1.512,2 14.833,3 3.876,4 15.02,5 137.858,6 7.943,7 0.659,8 4.219,9 4.324,10 3.848,11 3.811,12 5.373,13 3.805,14 4.717,15 4.846,16 4.214,17 4.217,18 5.84,19 4.193,20 4.955,21 5.133,22 4.204,23 4.311,24 6.029,25 4.247,26 5.004,27 5.214,28 4.141,29 4.29,30 6.006,31 4.209,32 4.98,33 5.187,34 4.178,35 4.239,36 6.085,37 4.176,38 4.97,39 5.171,40 4.13,41 4.211,42 6.065,43 4.149,44 4.932,45 5.159,46 3.998,47 4.14,48 5.953,49 4.057,50 4.8,51 5.016,52 3.94,53 4.045,54 5.86,55 3.969,56 0.054,57 0.846,58 10.735,59 5.147,60 12.42,61 6.13,62 0.185,63 1.353,64 19.374,65 8.827,66 24.961,67 10.635,68 0.376,69 1.666,70 28.069,71 11.675,72 44.189,73 14.622,74 0.3,75 1.746,76 31.308,77 12.562,78 42.109,79 16.307,80 0.434,81 1.707,82 30.721,83 11.988,84 57.43,85 15.582,86 0.421,87 1.703,88 30.228,89 11.348,90 55.038,91 14.252,92 0.372,93 1.621,94 30.629,95 11.463,96 52.031,97 14.909,98 0.355,99 1.399,100 26.369,101 10.25,102 48.745,103 13.379,104 5,105 58,106 0.239,107 0.622,108 0.819,109 0.912,110 0.917,111 0.917,112 3.615,113 0.859,114 -3.06,115 -3.06,116 -2.95,119 48.3,121 1,125 1,127 1,135 1,136 1,142 10,143 5,144 2,145 2,151 2,152 2,158 1,163 1,164 1,165 1,172 15,175 6,178 1,180 7,183 16,185 1,187 1,188 7,190 1,191 1,193 7,196 16,198 1,200 7,205 3,208 11,210 1,212 1,213 9,216 1,217 1,218 4,220 1,221 7,223 2,225 9,227 1,228 2,230 5,233 6,235 3,238 8,241 1,243 2,246 7,248 2,249 1,250 4,253 1,255 3,258 8,260 2,263 2,264 2,267 1,269 3,272 9,274 2,276 2534,277 24.894,278 24.894,279 24.894,280 24.894,281 24.894,282 21.495,283 16.112,284 14.701,285 25.175,286 20.301,287 20.301,288 20.301,289 20.301,290 20.301,291 15.119,292 18.632,293 7.043,294 20.752,295 4.395,296 1.97,297 0.72,298 0.133,299 0.1,300 0.1,301 4.335,306 1,307 1208,308 3.536,311 271.773,312 322.86,315 315.647,319 2.352,320 30.124,323 1,324 0.67,325 1,326 0.6,328 1,329 1,330 0.75,331 77,332 534,333 4.561,334 3.656,335 6.746,336 4.208,337 3.214,338 4.474,339 1.058,340 11.038,341 3.192,342 4.527,343 3.162,344 6.533,345 4.058,346 3.072,347 4.202,348 0.86,349 10.301,350 3.03,351 4.218,352 3.016,353 6.157,354 3.837,355 2.851,356 3.806,358 9.141,359 2.817,360 3.939,361 2.827,362 5.551,363 3.52,364 2.529,365 3.515,367 7.334,368 2.509,369 3.729,370 2.594,371 5.354,372 3.395,373 2.438,374 3.138,376 6.936,377 2.325,378 3.523,379 2.524,380 5.261,381 3.245,382 2.269,383 2.81,385 6.562,386 2.21,387 3.442,388 2.398,389 5.226,390 3.027,391 2.03,392 2.747,394 6.233,395 2.008,396 3.136,397 1.977,398 4.801,399 2.817,400 1.837,401 2.319,403 5.212,404 1.798,405 3.072,406 1.905,407 4.755,408 2.666,409 1.679,410 2.243,412 4.958,413 1.649,414 3.045,415 1.589,416 4.287,417 2.518,418 1.546,419 2.181,421 3.878,422 1.501,423 2.875,424 1.546,425 4.145,426 2.394,427 1.434,428 2.015,430 3.703,431 1.371,432 2.685,433 1.254,434 3.69,435 2.23,436 1.229,437 1.739,439 2.795,440 1.23,441 2.618,442 1.217,443 3.582,444 2.144,445 1.155,446 1.671,448 2.748,449 1.14,450 2.588,451 1.14,452 3.489,453 2.05,454 1.103,455 1.628,457 2.551,458 1.041,459 2.294,460 0.988,461 3.341,462 1.744,463 0.748,464 1.094,466 1.93,467 0.743,468 17.1,469 0.475,470 0.794,471 0.022,472 51.5,473 1.431,474 28,475 0.778,476 23.5,477 0.653,478 27.534,479 0.765,480 36.3,481 0.605,482 40.606,483 1.128,484 10.347,485 0.287,486 7.289,487 0.202,488 0.043,490 0.351,496 0.876,497 1.044,498 0.736,499 0.896,500 0.752,501 0.801,502 0.978,503 1.075,504 0.877,505 0.993,506 0.716,507 0.933,508 1.032,509 1.027,510 1.047,511 1.039,512 0.966,513 1.049,514 0.965,515 1.035,516 0.999,517 1.035,518 0.871,519 1.023,520 0.907,521 1.035,522 0.921,523 1.021,524 1.033,525 0.98,526 1.253,527 1.053,528 1.096,529 1.038,530 1.189,531 1.038,532 1.111,533 0.959,534 1.021,535 0.97,536 1.025,537 0.976,538 0.972,539 0.985,540 0.934,541 0.976,542 0.969,543 0.958,544 6.5,545 0.194,546 3.778,547 2.465,548 1.563,549 1.205,550 0.605,551 0.52,552 0.286,553 0.209,554 23666,555 60587,556 2.203,557 40,559 14,560 2,561 2,562 4,564 2,567 1.771,568 2.118,569 3.838,570 1.44,577 90.738,578 1.512,579 3.937,580 5.187,581 5.774,582 5.807,583 5.807,584 3.274,585 4.572,586 5.143,587 4.04,588 2545.19,589 9.017,590 42262.1,595 354.413,596 1.194,597 5.125,598 0.159,599 0.006,600 0.065,601 0.045,602 0.031,603 0.023,604 0.012,605 0.012,606 0.007,607 0.005,608 0.365,609 0.17,610 0.75,611 0.375,612 199.567,613 -0.08,614 0.035,615 0.039,616 0.046,617 -0.104,618 0.065,619 -0.045,620 -0.042,621 -0.037,622 -0.033,623 -0.009,624 -0.034,625 -0.039,626 -0.038,627 -0.111,628 -0.06,629 -0.044,630 -0.093,631 -0.07,632 -0.062,633 -0.02,634 -0.043,635 -0.025,636 -0.026,637 0.12,638 -0.05,639 0.074,640 -0.041,641 0.106,642 0.001,643 -0.09,644 -0.041,645 -0.097,646 -0.079,647 -0.07,648 -0.086,649 -0.079,650 0.021,651 0.007,652 0.013,653 -0.047,654 0.023,655 0.053,656 -0.025,657 0.08,658 0.018,659 0.047,660 0.044,661 1.821,662 5.527,663 0.806,664 43.676,665 1.004,666 1.113,667 1.833,668 3.358,669 0.7,670 3.738,671 4.078,672 4.382,673 4.682,674 4.875,675 4.963,676 5.147,677 5.288,678 5.318,679 5.429,680 8.728,681 0.675,682 476.57,683 3.738,684 5.293,685 6.159,686 7.047,687 7.928,688 8.82,689 9.707,690 10.601,691 11.493,692 12.389,693 6.7,694 1,700 1,701 1,703 1,708 2,709 14,710 1,711 1,712 1,714 7,716 27,733 1,735 60,737 29,738 2,739 41,741 65,742 29,743 23,744 5,745 7,746 3,748 6,749 8,760 2,762 26,763 3,767 2,772 1,774 1,776 2,782 1,783 24,784 6,785 4,786 7,792 4,797 0.667,798 3,809 1,811 1,815 3,816 3,819 2,829 1,834 1,835 1,836 1,843 4,851 36,852 1,858 2,860 1,861 1,863 1,874 5,877 1,879 2,881 17,882 10.617,883 7.75,884 3.446,886 5.509,887 1.623,888 1.053,889 5.994,890 14.349,891 4.052,892 4.687,893 5.323,894 5.941,895 6.433,896 6.753,897 7.209,898 7.622,899 7.838,900 8.207,901 0.9,902 55,903 13.287,905 5.797,906 7.685,907 25.415,909 21.416,911 2.185,912 78.667,916 235.422,917 189.046,918 84.479,920 45.652,923 189.046,924 281.074,925 84.479,927 58.035,928 125.026,929 70.177,930 81.889,931 31.135,932 188.338,934 235.422,935 273.525,936 45.652,939 211.88,940 69.194,943 92.915,944 154.348,945 26.262,947 235.422,948 130.131,949 189.046,952 235.422,953 45.926,954 143.12,955 34.796,956 95.335,957 235.422,958 130.131,959 189.046,961 0.583,962 0.344,963 0.193,964 0.102,965 30,966 12,967 0.108,968 7,969 2,970 1.138,971 4.849,972 351.258,973 0.138,974 29,975 186.117,981 22.5,982 9.591,983 4.653,984 2.285,985 113.346,986 26.619,987 4.361,988 3.287,989 5.395,991 5.843,993 67.693,994 554.599,995 56.5,1000 12.527,1002 1.748,1004 0.406,1007 60.225,1008 66.773,1009 0.256,1010 0.667,1011 0.878,1012 0.977,1013 0.983,1014 0.983,1015 5.287,1016 1.837,1017 6.138,1018 6.233,1019 4.762,1020 5.375,1021 1.552,1022 6.954,1023 4.723,1024 6.501,1025 1.679,1026 7.693,1027 5.212,1028 4.29,1029 5.112,1031 7.832,1032 4.255,1033 7.81,1034 1.546,1035 9.347,1036 4.958,1037 6.358,1038 7.605,1039 1.527,1040 10.956,1041 6.291,1042 9.158,1043 1.434,1044 11.062,1045 3.878,1046 6.746,1047 8.227,1049 12.706,1050 6.685,1051 10.539,1052 1.229,1053 12.816,1054 3.703,1055 8.245,1056 10.134,1057 1.53,1058 15.326,1059 8.16,1060 11.945,1061 1.155,1062 14.598,1063 2.795,1064 9.033,1065 11.184,1067 17.44,1068 8.951,1069 13.37,1070 1.103,1071 16.401,1072 2.748,1073 10.305,1074 12.842,1075 1.557,1076 19.893,1077 10.207,1078 3.214,1079 0.748,1080 18.22,1081 2.551,1082 11.282,1083 14.105,1085 22.158,1086 11.182,1087 3.072,1088 11.038,1089 20.052,1090 1.93,1091 12.466,1092 15.654,1093 1.603,1094 24.555,1095 12.354,1096 2.851,1097 10.301,1098 21.895,1099 4.474,1100 13.53,1101 17.023,1103 26.883,1104 13.414,1105 2.529,1106 9.141,1107 23.746,1108 4.202,1109 14.682,1110 18.526,1111 1.663,1112 29.264,1113 14.557,1114 2.438,1115 7.334,1116 25.603,1117 3.806,1118 15.787,1119 19.947,1121 31.62,1122 15.656,1123 2.269,1124 6.936,1125 27.467,1126 3.515,1127 16.929,1128 21.432,1129 1.734,1130 33.997,1131 16.791,1132 2.03,1133 6.562,1134 29.335,1135 3.138,1136 18.054,1137 22.881,1139 36.367,1140 17.909,1141 21307,1142 34295,1143 28.433,1144 42,1145 62.785,1146 63.515,1147 62.445,1148 61.825,1149 61.872,1150 84.033,1151 3.837,1152 178.901,1153 60.541,1154 5.464,1155 5.656,1156 6.428,1157 5.276,1158 5.214,1159 7.474,1160 2.117,1161 17.977,1162 5.192,1163 11.473,1164 1.531,1165 1.549,1166 1.523,1167 1.508,1168 1.509,1169 2.05,1170 0.094,1171 4.363,1172 1.477,1173 4.135,1174 4.168,1175 4.09,1176 4.053,1177 7.429,1178 4.058,1179 4.062,1180 4.083,1181 4.027,1182 3.991,1183 5.097,1184 3.996,1185 3.889,1186 3.904,1187 3.843,1188 3.763,1189 5.046,1190 3.779,1191 3.79,1192 3.815,1193 3.74,1194 3.652,1195 4.949,1196 3.668,1197 3.621,1198 3.683,1199 3.501,1200 3.48,1201 4.93,1202 3.476,1203 3.408,1204 3.444,1205 3.347,1206 3.277,1207 4.701,1208 3.288,1209 3.36,1210 3.414,1211 3.25,1212 3.199,1213 4.354,1214 3.203,1215 3.029,1216 3.085,1217 2.922,1218 2.876,1219 4.302,1220 2.88,1221 0.111,1222 0.089,1223 0.165,1224 0.103,1225 0.078,1226 4.561,1227 0.109,1228 3.656,1229 0.026,1230 6.746,1231 0.269,1232 4.208,1233 0.078,1234 3.214,1235 4.474,1236 1.058,1237 11.038,1238 3.192,1239 1.968,1240 1.949,1241 2.046,1242 2.047,1243 1.259,1244 2.046,1245 1.941,1246 1.918,1247 2.036,1248 2.018,1249 1.186,1250 2.026,1251 1.741,1252 1.715,1253 1.889,1254 1.9,1255 1.071,1256 1.899,1257 1.673,1258 1.626,1259 1.802,1260 1.819,1261 0.901,1262 1.816,1263 1.597,1264 1.569,1265 1.714,1266 1.756,1267 0.784,1268 1.733,1269 1.413,1270 1.381,1271 1.578,1272 1.616,1273 0.687,1274 1.61,1275 1.371,1276 1.305,1277 1.572,1278 1.586,1279 0.584,1280 1.59,1281 1.15,1282 1.139,1283 1.29,1284 1.453,1285 0.389,1286 1.394,1287 4.419,1289 5.753,1290 3.434,1291 7.268,1292 5.778,1293 8.867,1294 7.847,1295 10.513,1301 6.386,1303 1.067,1305 2.906,1306 6.004,1308 -0.167,1314 40.498,1315 90.738,1316 236.226,1317 311.194,1318 346.413,1319 348.413,1320 348.413,1321 54.727,1322 8.84,1323 109.93,1324 109.93,1325 33,1326 12.915,1327 4.907,1328 4.044,1329 49.295,1330 190,1331 178,1332 0.123,1333 242.77,1334 415.01,1335 584.12,1336 113316,1338 24.485,1339 0.68,1340 0.539,1341 24.485,1342 19.401,1343 17.636,1344 0.43,1345 0.286,1346 11.596,1347 17.068,1348 11.381,1349 9.395,1350 17.636,1351 11.737,1352 16.017,1353 0.276,1354 0.152,1355 16.017,1356 8.832,1357 13.869,1358 0.176,1359 0.08,1360 13.869,1361 6.3,1362 11.988,1363 0.112,1364 0.042,1365 11.988,1366 4.527,1367 9.515,1368 0.073,1369 0.023,1370 9.515,1371 2.983,1372 0.199,1373 109.862,1374 0.188,1375 33.517,1376 0.32,1377 198,1378 546.83,1379 213.489,1380 532.979,1381 744.2,1382 502,1383 236,1384 561.426,1385 251.742,1386 570.758,1387 836.3,1388 539,1389 7.9}
{0 CHEMBL2001920,1 2.103,2 6.333,3 2.505,4 6.274,5 78.272,6 14.836,7 0.3,8 3.322,9 3.372,10 3.51,11 3.123,12 4.605,13 3.068,14 3.783,15 3.827,16 4.082,17 3.564,18 5.179,19 3.476,20 3.94,21 4.009,22 4.002,23 3.585,24 5.319,25 3.485,26 3.837,27 3.913,28 3.999,29 3.444,30 5.31,31 3.371,32 3.807,33 3.881,34 4.017,35 3.315,36 5.53,37 3.244,38 3.553,39 3.624,40 4.077,41 3.146,42 5.173,43 2.974,44 3.075,45 3.183,46 3.537,47 2.645,48 4.555,49 2.447,50 2.358,51 2.498,52 3.118,53 2.093,54 3.664,55 1.678,56 0.111,57 0.287,58 3.922,59 1.226,60 11.48,61 1.044,62 0.207,63 0.479,64 9.144,65 2.701,66 20.284,67 2.034,68 0.293,69 0.523,70 25.266,71 4.59,72 45.209,73 3.47,74 0.244,75 0.507,76 16.64,77 3.727,78 34.487,79 2.934,80 0.41,81 0.519,82 14.408,83 4.111,84 63.012,85 3.031,86 0.298,87 0.411,88 21.266,89 4.534,90 45.664,91 2.124,92 0.168,93 0.251,94 11.822,95 3.187,96 21.177,97 2.085,98 0.082,99 0.121,100 18.058,101 2.265,102 12.262,103 1.306,104 17,105 30,106 0.421,107 0.752,108 0.829,109 0.905,110 0.905,111 0.905,112 2.963,113 1.045,114 -3.11,115 -3.11,116 -2.99,117 1,119 47.8,136 1,138 1,142 3,143 1,144 2,158 2,159 1,172 3,175 1,178 2,180 4,183 6,188 3,193 3,196 6,200 4,205 2,208 3,212 1,213 2,216 2,217 1,218 2,221 1,225 2,230 1,233 2,238 2,243 2,276 344,277 11.809,278 11.809,279 11.809,280 11.809,281 11.809,282 10.448,283 14.277,284 6.698,285 12.323,286 9.866,287 9.866,288 9.866,289 9.866,290 9.866,291 7.595,292 15.473,293 3.195,294 10.775,295 2.42,296 0.761,297 0.381,301 3.63,305 1,306 1,307 244,308 2,311 72.525,312 40.698,315 61.723,319 0.926,320 23.632,323 1,324 0.83,325 1,326 0.4,328 1,329 1,330 0.75,331 38.75,332 114,333 4.659,334 4.876,335 6.984,336 4.284,337 3.308,338 4.259,339 4.503,340 11.875,341 3.23,342 4.121,343 3.819,344 6.119,345 3.728,346 2.802,347 3.584,348 1.059,349 8.895,350 2.601,351 3.709,352 3.512,353 5.427,354 3.252,355 2.331,356 3.005,357 1.058,358 6.698,359 2.148,360 3.376,361 3.137,362 4.979,363 2.865,364 1.981,365 2.602,366 0.524,367 5.802,368 1.699,369 3.228,370 2.963,371 4.782,372 2.698,373 1.772,374 2.36,376 4.991,377 1.56,378 3.018,379 2.526,380 4.649,381 2.573,382 1.604,383 2.109,385 4.595,386 1.47,387 2.628,388 1.912,389 4.131,390 2.106,391 1.167,392 1.569,394 3.287,395 1.069,396 1.725,397 1.583,398 3.44,399 1.442,400 0.535,401 0.615,403 1.451,404 0.463,405 1.283,406 0.876,407 2.656,408 0.778,409 -0.141,410 -0.184,412 -0.355,413 -0.096,414 1,415 0.817,416 2.422,417 0.4,418 -0.576,419 -0.806,421 -1.331,422 -0.475,423 0.711,424 0.746,425 2.278,426 0.225,427 -0.676,428 -0.908,430 -1.657,431 -0.507,432 0.694,433 0.144,434 2,435 0.131,436 -0.777,437 -1.062,439 -2.135,440 -0.723,441 0.457,442 -0.381,443 2,444 -0.07,445 -1,446 -1.366,448 -2.936,449 -0.954,450 -0.018,451 -0.803,452 1.61,453 -0.547,454 -1.315,455 -1.647,457 -3.322,458 -1.07,459 -0.214,460 -0.875,461 1.527,462 -0.661,463 -1.599,464 -2,466 -4.658,467 -1.432,468 9.967,469 0.554,470 0.613,471 0.034,472 23.5,473 1.306,474 12,475 0.667,476 11.5,477 0.639,478 14.412,479 0.801,480 17.033,481 0.741,482 13.882,483 0.771,484 4.277,485 0.238,486 4.282,487 0.238,488 0.284,490 0.401,496 0.739,497 0.797,498 0.492,499 0.489,500 0.549,501 0.49,502 0.483,503 0.981,504 0.559,505 0.655,506 0.528,507 0.73,508 1.095,509 0.982,510 1.096,511 1.07,512 1.106,513 1.12,514 0.968,515 1.124,516 0.858,517 0.995,518 0.887,519 0.978,520 1.122,521 0.939,522 0.894,523 0.908,524 1.281,525 0.888,526 1.634,527 1.045,528 1.381,529 1.227,530 1.58,531 1.198,532 0.959,533 1.164,534 1.737,535 1.689,536 1.06,537 1.453,538 1.263,539 0.84,540 2.187,541 1.508,542 1.119,543 1.756,544 4.5,546 2.222,547 2.174,548 1.093,549 0.796,550 0.295,551 0.147,552 0.02,554 2434,555 11349,556 2.053,557 21.7,559 3,562 2,567 1.595,568 1.862,569 2.712,570 0.538,574 1,577 48.379,578 2.103,579 3.762,580 4.143,581 4.524,582 4.524,583 4.524,584 2.135,585 3.795,586 4.144,587 2.78,588 425.275,589 7.071,590 3889.18,591 1,592 1,595 104.042,596 1.53,597 4.071,598 0.225,600 0.074,601 0.078,602 0.042,603 0.033,604 0.02,605 0.018,606 0.01,608 0.5,609 0.5,610 1,611 0.714,612 73.706,613 -0.152,614 0.124,615 -0.017,616 0.094,617 -0.066,618 0.107,619 0.183,620 -0.079,621 0.031,622 0.033,623 0.063,624 -0.05,625 -0.192,626 -0.133,627 -0.177,628 -0.184,629 -0.179,630 -0.188,631 -0.049,632 -0.207,633 -0.045,634 -0.138,635 0.026,636 -0.058,637 0.195,638 0.087,639 -0.021,640 0.069,641 0.133,642 0.075,643 -0.348,644 0.02,645 -0.005,646 0.017,647 -0.215,648 -0.108,649 0.064,650 -0.121,651 -0.089,652 -0.292,653 -0.077,654 -0.077,655 -0.32,656 0.24,657 0.087,658 0.272,659 -0.249,660 -0.02,661 1.983,662 4.961,663 0.778,664 9.778,665 1.044,666 1.084,667 1.884,668 3.549,669 0.874,670 3.045,671 3.434,672 3.738,673 4.094,674 4.277,675 4.317,676 4.419,677 4.431,678 4.248,679 4.078,680 4.016,681 0.823,682 341.22,683 3.045,684 4.615,685 5.493,686 6.415,687 7.318,688 8.242,689 9.155,690 10.079,691 10.996,692 11.919,693 8.7,700 2,709 3,714 3,716 6,734 1,735 23,737 10,738 1,739 20,740 1,741 25,742 11,743 6,744 3,745 3,746 4,748 3,749 4,762 11,767 4,772 2,773 1,776 5,780 1,783 5,784 4,785 2,786 7,787 3,792 2,794 1,797 0.667,798 2,815 2,816 1,819 1,829 1,834 1,835 1,840 1,843 2,845 2,846 1,851 18,860 2,862 1,873 1,874 8.7,877 2,881 9.667,882 4.31,883 3.806,884 1.251,886 2.051,887 1.312,888 1.037,889 2.96,890 8.613,891 3.332,892 3.942,893 4.491,894 5.099,895 5.615,896 5.846,897 6.185,898 6.462,899 6.519,900 6.592,901 1,902 28,903 6.64,905 2.971,906 8.088,907 12.203,909 10.252,911 2.588,912 46.583,913 0.001,916 35.313,917 128.983,918 81.976,920 50.29,922 77.412,923 97.526,924 85.603,925 36.022,927 36.022,928 28.429,929 61.25,930 12.183,932 67.533,933 91.146,934 35.313,935 87.593,936 50.29,937 77.412,938 45.954,939 35.313,940 50.29,943 36.022,944 50.021,945 1.551,946 123.366,947 35.313,948 86.311,949 174.937,952 35.313,953 55.363,954 28.429,955 81.976,956 95.482,957 35.313,958 86.311,959 174.937,961 0.601,962 0.355,963 0.208,964 0.117,965 17,966 8,969 1,970 1.143,971 2.924,972 138.551,973 0.143,974 14,975 75.059,977 1,978 1,981 12.203,982 4.366,983 2.017,985 86.311,986 5.435,991 2.274,993 36.022,994 296.562,995 27,1000 23.704,1001 4.928,1004 0.523,1007 24.007,1008 24.927,1009 0.465,1010 0.832,1011 0.916,1012 1,1013 1,1014 1,1015 4.61,1016 0.535,1017 5.525,1018 3.287,1019 4.111,1020 4.625,1021 3.784,1022 6.409,1023 3.971,1024 5.853,1025 -0.141,1026 7.13,1027 1.451,1028 3.892,1029 4.62,1030 3.036,1031 7.427,1032 3.689,1033 7.195,1034 -0.576,1035 8.832,1036 -0.355,1037 5.771,1038 6.812,1039 6.566,1040 10.584,1041 5.555,1042 8.57,1043 -0.676,1044 10.589,1045 -1.331,1046 6.33,1047 7.55,1048 6.466,1049 12.466,1050 6.084,1051 9.974,1052 -0.777,1053 12.384,1054 -1.657,1055 7.751,1056 9.3,1057 9.499,1058 15.16,1059 7.492,1060 11.4,1061 -1,1062 14.207,1063 -2.135,1064 8.663,1065 10.39,1066 9.734,1067 17.401,1068 8.388,1069 12.845,1070 -1.315,1071 16.052,1072 -2.936,1073 9.918,1074 11.964,1075 12.447,1076 19.943,1077 9.629,1078 3.308,1079 -1.599,1080 17.915,1081 -3.322,1082 10.986,1083 13.228,1084 12.919,1085 22.325,1086 10.682,1087 2.802,1088 11.875,1089 19.792,1090 -4.658,1091 12.186,1092 14.726,1093 15.402,1094 24.817,1095 11.868,1096 2.331,1097 8.895,1098 21.681,1099 4.259,1100 13.32,1101 16.078,1102 16.056,1103 27.253,1104 12.986,1105 1.981,1106 6.698,1107 23.579,1108 3.584,1109 14.505,1110 17.543,1111 18.364,1112 29.73,1113 14.155,1114 1.772,1115 5.802,1116 25.485,1117 3.005,1118 15.668,1119 18.938,1120 19.161,1121 32.188,1122 15.301,1123 1.604,1124 4.991,1125 27.397,1126 2.602,1127 16.851,1128 20.39,1129 21.331,1130 34.662,1131 16.467,1132 1.167,1133 4.595,1134 29.314,1135 2.36,1136 18.028,1137 21.809,1138 22.245,1139 37.129,1140 17.625,1141 2443,1142 5359,1143 12.948,1144 20.091,1145 31.33,1146 35.488,1147 33.025,1148 31.173,1149 31,1150 40.206,1151 14.289,1152 95.188,1153 28.478,1154 5.487,1155 6.876,1156 6.289,1157 5.4,1158 5.308,1159 7.259,1160 8.638,1161 19.3,1162 5.23,1163 9.689,1164 1.567,1165 1.774,1166 1.651,1167 1.559,1168 1.55,1169 2.01,1170 0.714,1171 4.759,1172 1.424,1173 4.027,1174 4.042,1175 6.88,1176 3.982,1177 7.435,1178 3.969,1179 3.686,1180 3.693,1181 4.216,1182 3.68,1183 7.424,1184 3.605,1185 3.36,1186 3.38,1187 3.869,1188 3.263,1189 4.808,1190 3.22,1191 2.926,1192 2.973,1193 3.389,1194 2.889,1195 4.733,1196 2.829,1197 2.796,1198 2.756,1199 3.145,1200 2.715,1201 4.07,1202 2.68,1203 2.616,1204 2.604,1205 2.896,1206 2.497,1207 3.822,1208 2.49,1209 2.457,1210 2.508,1211 2.692,1212 2.299,1213 3.559,1214 2.258,1215 1.993,1216 2.094,1217 2.423,1218 1.81,1219 3.271,1220 1.661,1221 0.233,1222 0.244,1223 0.349,1224 0.214,1225 0.165,1226 4.659,1227 0.213,1228 4.876,1229 0.225,1230 6.984,1231 0.594,1232 4.284,1233 0.161,1234 3.308,1235 4.259,1236 4.503,1237 11.875,1238 3.23,1239 1.886,1240 1.873,1241 1.931,1242 1.935,1243 1.119,1244 1.948,1245 1.543,1246 1.542,1247 1.558,1248 1.715,1249 0.708,1250 1.672,1251 1.264,1252 1.263,1253 1.255,1254 1.492,1255 0.254,1256 1.46,1257 1.046,1258 1.032,1259 1.082,1260 1.165,1261 0.207,1262 1.205,1263 0.805,1264 0.78,1265 0.996,1266 0.964,1267 0.109,1268 1.007,1269 0.731,1270 0.719,1271 0.642,1272 0.838,1274 0.849,1277 0.373,1278 0.312,1280 0.353,1283 0.061,1284 0.203,1286 0.206,1287 3.714,1289 5.081,1290 3.045,1291 6.627,1292 5.476,1293 8.26,1294 7.609,1295 9.944,1296 3.353,1305 5.248,1307 1.118,1314 18.925,1315 48.379,1316 86.532,1317 95.287,1318 104.042,1319 104.042,1320 104.042,1321 30.871,1322 6.562,1323 65.72,1324 126.05,1325 16,1326 12.427,1327 3.459,1328 3,1329 25.487,1330 42,1331 41,1332 0.31,1333 129.371,1334 228.28,1335 307.425,1336 4887,1337 4.3,1338 12.861,1339 0.715,1340 0.665,1341 14.715,1342 11.962,1343 8.559,1344 0.428,1345 0.348,1346 5.042,1347 7.104,1348 4.803,1349 3.911,1350 9.833,1351 6.965,1352 8.35,1353 0.278,1354 0.21,1355 10.379,1356 6.295,1357 6.81,1358 0.166,1359 0.105,1360 8.387,1361 4.296,1362 6.187,1363 0.105,1364 0.056,1365 7.874,1366 3.325,1367 4.889,1368 0.069,1369 0.032,1370 6.535,1371 2.295,1372 0.452,1373 68.663,1374 0.278,1375 17.368,1376 0.966,1377 100,1378 344.512,1379 219.534,1380 412.952,1381 537.77,1382 380,1383 121,1384 330.627,1385 188.145,1386 371.511,1387 551.72,1388 349,1389 5.7}
{0 CHEMBL2001923,1 1.635,2 20.46,3 7.14,4 50.982,5 185.299,6 8.241,7 0.596,8 4.536,9 4.64,10 4.192,11 4.105,12 5.697,13 4.109,14 5.079,15 5.222,16 4.581,17 4.515,18 6.236,19 4.51,20 5.368,21 5.543,22 4.721,23 4.698,24 6.638,25 4.666,26 5.425,27 5.626,28 4.63,29 4.714,30 6.578,31 4.645,32 5.447,33 5.674,34 4.534,35 4.699,36 6.474,37 4.61,38 5.359,39 5.576,40 4.532,41 4.634,42 6.405,43 4.559,44 5.309,45 5.513,46 4.551,47 4.562,48 6.447,49 4.522,50 5.233,51 5.412,52 4.551,53 4.511,54 6.501,55 4.481,56 0.137,57 1.387,58 13.557,59 7.414,60 15.894,61 8.424,62 0.495,63 2.289,64 27.63,65 12.461,66 41.22,67 14.259,68 1.162,69 3.215,70 41.588,71 17.245,72 144.329,73 20.221,74 0.882,75 3.104,76 45.496,77 19.11,78 114.351,79 24.05,80 1.045,81 2.941,82 50.952,83 20.006,84 114.207,85 25.726,86 0.771,87 2.711,88 45.064,89 18.62,90 78.927,91 24.055,92 0.836,93 2.684,94 42.845,95 16.779,96 90.694,97 20.344,98 1.045,99 2.658,100 37.216,101 15.061,102 101.912,103 17.588,104 17,105 82,106 0.243,107 0.577,108 0.757,109 0.858,110 0.867,111 0.867,112 3.934,113 0.862,114 -4.73,115 -4.65,116 -4.37,119 47.6,121 1,125 6,142 13,143 6,144 8,145 2,151 1,152 1,158 1,172 15,175 10,178 1,180 5,183 15,187 2,188 11,192 1,193 7,196 10,200 8,203 1,205 7,208 11,212 1,213 9,218 3,221 19,225 10,228 2,230 2,233 22,238 3,241 1,243 1,246 19,249 3,250 5,253 2,255 4,258 11,264 6,269 6,272 6,276 6522,277 34.341,278 34.341,279 34.341,280 34.341,281 34.341,282 30.134,283 44.122,284 20.02,285 35.132,286 28.175,287 28.175,288 28.175,289 28.175,290 28.175,291 21.708,292 66.777,293 9.57,294 29.512,295 4.723,296 2.469,297 1.258,298 0.57,299 0.512,300 0.512,301 4.662,306 1,307 2307,308 3.606,311 112.393,312 889.529,313 130.458,315 211.888,317 430.932,319 3.503,320 63.116,323 0.75,324 0.67,325 0.83,326 0.5,327 0.5,328 0.83,329 1,330 0.73,331 110,332 1023,333 4.694,334 3.624,335 6.864,336 4.247,337 3.27,338 4.649,339 1.058,340 11.485,341 3.202,342 4.443,343 3.485,344 6.526,345 4.078,346 3.1,347 4.084,348 0.86,349 10.283,350 3.03,351 4.361,352 3.284,353 6.312,354 3.92,355 2.979,356 4.055,357 0.86,358 9.32,359 2.796,360 4.177,361 3.134,362 6.143,363 3.815,364 2.87,365 3.834,366 0.8,367 9.054,368 2.742,369 4.139,370 3.006,371 6.121,372 3.765,373 2.777,374 3.692,375 0.522,376 8.995,377 2.712,378 3.835,379 2.848,380 5.973,381 3.471,382 2.493,383 3.255,384 0.4,385 8.359,386 2.432,387 3.686,388 2.792,389 5.394,390 3.372,391 2.442,392 2.945,394 6.939,395 2.267,396 3.587,397 2.628,398 5.337,399 3.22,400 2.247,401 2.933,403 6.868,404 2.186,405 3.532,406 2.592,407 5.257,408 3.21,409 2.226,410 2.837,412 6.656,413 2.16,414 3.371,415 2.475,416 5.163,417 3.014,418 2.043,419 2.608,421 6.154,422 1.974,423 3.263,424 2.311,425 4.991,426 2.787,427 1.879,428 2.578,430 5.501,431 1.732,432 3.232,433 2.277,434 4.879,435 2.776,436 1.824,437 2.481,439 5.225,440 1.678,441 2.995,442 1.941,443 4.468,444 2.741,445 1.822,446 2.216,448 4.518,449 1.666,450 2.977,451 1.715,452 4.447,453 2.491,454 1.525,455 2.029,457 4.206,458 1.471,459 2.783,460 1.689,461 4.209,462 2.336,463 1.35,464 1.9,466 3.646,467 1.329,468 23.357,469 0.467,470 1.212,471 0.024,472 69,473 1.38,474 35.5,475 0.71,476 33.5,477 0.67,478 45.446,479 0.909,480 52.243,481 0.637,482 63.942,483 1.279,484 13.881,485 0.278,486 10.509,487 0.21,488 0.051,490 0.377,494 3,496 0.652,497 1.029,498 0.661,499 0.994,500 0.517,501 0.867,502 0.876,503 0.988,504 0.839,505 0.941,506 0.593,507 0.891,508 0.847,509 0.909,510 0.959,511 0.979,512 0.667,513 0.994,514 0.659,515 0.925,516 0.973,517 1.11,518 0.607,519 1.123,520 0.723,521 0.713,522 0.978,523 0.919,524 0.777,525 0.994,526 0.62,527 0.797,528 0.854,529 0.984,530 0.58,531 0.989,532 0.976,533 0.933,534 0.911,535 0.916,536 0.883,537 0.902,538 0.973,539 1.004,540 1.01,541 1.019,542 1.026,543 1.029,544 9.5,545 0.386,546 5.778,547 3.701,548 2.782,549 1.598,550 1.286,551 0.856,552 0.779,553 0.525,554 59334,555 169376,556 2.189,557 39,559 25,560 1,561 2,562 2,564 2,567 1.848,568 2.083,569 4.24,570 0.067,577 134.069,578 1.635,579 3.889,580 5.1,581 5.787,582 5.845,583 5.845,584 3.752,585 5.364,586 5.607,587 4.476,588 5482.49,589 9.951,590 117780,595 521.319,596 1.291,597 5.591,598 0.167,599 0.006,600 0.07,601 0.041,602 0.034,603 0.021,604 0.017,605 0.011,606 0.011,607 0.008,608 0.387,609 0.17,610 0.75,611 0.404,612 306.747,613 -0.04,614 -0.092,615 0.048,616 -0.031,617 -0.028,618 0.02,619 -0.088,620 -0.066,621 -0.02,622 0.008,623 -0.005,624 0.012,625 0.059,626 0.059,627 -0.052,628 -0.013,629 0.145,630 -0.054,631 0.044,632 -0.066,633 -0.054,634 -0.132,635 0.086,636 -0.123,637 -0.001,638 0.109,639 -0.007,640 0.071,641 -0.055,642 0.042,643 0.051,645 0.095,646 0.011,647 0.021,648 0.049,649 -0.074,650 -0.046,651 0.061,652 0.063,653 -0.042,654 0.09,655 0.05,656 -0.013,657 -0.067,658 -0.051,659 -0.004,660 -0.088,661 3.164,662 6.38,663 0.84,664 92.853,665 1.016,666 1.126,667 3.501,668 12.255,669 0.691,670 4.06,671 4.419,672 4.736,673 5.03,674 5.308,675 5.472,676 5.666,677 5.866,678 6.075,679 6.273,680 11.502,681 0.674,682 675.76,683 4.06,684 5.631,685 6.506,686 7.399,687 8.287,688 9.186,689 10.079,690 10.982,691 11.88,692 12.785,693 6.1,699 1,700 1,701 2,703 1,708 2,709 16,710 1,714 13,715 1,716 34,723 1,728 1,730 1,733 1,734 3,735 82,737 35,738 4,739 57,741 89,742 39,743 31,744 12,745 12,746 1,748 8,749 12,760 1,762 32,763 7,767 1,772 1,776 1,781 3,783 32,784 10,785 2,786 11,792 5,797 0.625,798 3,809 1,811 1,815 1,816 6,817 1,819 1,821 2,842 1,843 5,849 3,851 50,858 7,860 2,861 2,864 1,873 3,874 3.7,877 1,878 1,879 1,881 24,882 14.862,883 10.694,884 4.929,886 6.394,887 1.609,888 1.055,889 8.859,890 16.891,891 4.331,892 4.978,893 5.602,894 6.215,895 6.792,896 7.153,897 7.623,898 8.124,899 8.583,900 9.065,901 0.929,902 90,903 18.697,905 8.419,906 7.883,907 35.187,909 29.913,911 2.383,912 119.167,916 353.133,917 241.945,918 57.83,920 47.145,921 44.88,923 241.945,924 400.278,925 102.711,927 40.64,928 132.239,929 81.177,930 114.263,931 58.796,932 317.82,934 353.133,935 299.776,936 92.025,939 374.471,940 59.687,941 11,943 78.644,944 204.346,945 16.786,947 398.013,948 104.975,949 241.945,952 353.133,953 91.612,954 155.357,955 36.022,956 108.811,957 353.133,958 149.855,959 241.945,961 0.589,962 0.351,963 0.191,964 0.105,965 42,966 18,967 0.09,968 8,969 3,970 1.143,971 5.871,972 563.669,973 0.143,974 42,975 268.193,981 32.243,982 13.737,983 6.667,984 1.599,985 147.956,986 28.63,987 4.242,991 3.476,992 1.816,993 36.022,994 744.934,995 75,1000 13.38,1004 -0.237,1007 83.283,1008 92.367,1009 0.257,1010 0.612,1011 0.802,1012 0.91,1013 0.919,1014 0.919,1015 5.589,1016 2.247,1017 6.497,1018 6.939,1019 5.106,1020 5.668,1021 2.082,1022 7.33,1023 5.022,1024 6.808,1025 2.226,1026 8.067,1027 6.868,1028 4.691,1029 5.515,1030 0.325,1031 8.236,1032 4.571,1033 8.127,1034 2.043,1035 9.736,1036 6.656,1037 6.725,1038 7.909,1039 1.85,1040 11.359,1041 6.576,1042 9.482,1043 1.879,1044 11.461,1045 6.154,1046 7.132,1047 8.585,1048 0.268,1049 13.095,1050 6.95,1051 10.869,1052 1.824,1053 13.224,1054 5.501,1055 8.622,1056 10.453,1057 1.749,1058 15.728,1059 8.416,1060 12.278,1061 1.822,1062 15.012,1063 5.225,1064 9.412,1065 11.529,1066 0.188,1067 17.822,1068 9.177,1069 13.706,1070 1.525,1071 16.819,1072 4.518,1073 10.685,1074 13.179,1075 1.709,1076 20.288,1077 10.427,1078 3.27,1079 1.35,1080 18.64,1081 4.206,1082 11.66,1083 14.461,1084 0.125,1085 22.546,1086 11.375,1087 3.1,1088 11.485,1089 20.472,1090 3.646,1091 12.845,1092 16.017,1093 1.708,1094 24.96,1095 12.538,1096 2.979,1097 10.283,1098 22.313,1099 4.649,1100 13.908,1101 17.406,1102 0.082,1103 27.295,1104 13.577,1105 2.87,1106 9.32,1107 24.163,1108 4.084,1109 15.062,1110 18.925,1111 1.736,1112 29.697,1113 14.71,1114 2.777,1115 9.054,1116 26.019,1117 4.055,1118 16.168,1119 20.37,1120 0.054,1121 32.072,1122 15.794,1123 2.493,1124 8.995,1125 27.88,1126 3.834,1127 17.313,1128 21.878,1129 1.783,1130 34.477,1131 16.92,1132 2.442,1133 8.359,1134 29.747,1135 3.692,1136 18.441,1137 23.355,1138 0.035,1139 36.874,1140 18.027,1141 53358,1142 90641,1143 39.183,1144 56.625,1145 86.723,1146 89.142,1147 88.032,1148 86.199,1149 86.143,1150 113.085,1151 9,1152 253.358,1153 82.239,1154 5.694,1155 5.624,1156 6.666,1157 5.351,1158 5.27,1159 7.649,1160 2.117,1161 18.887,1162 5.202,1163 20.832,1164 1.521,1165 1.564,1166 1.544,1167 1.512,1168 1.511,1169 1.984,1170 0.158,1171 4.445,1172 1.443,1173 4.177,1174 4.21,1175 4.145,1176 4.088,1177 8.26,1178 4.098,1179 4.009,1180 4.042,1181 3.966,1182 3.914,1183 8.191,1184 3.921,1185 3.946,1186 3.979,1187 3.902,1188 3.849,1189 8.149,1190 3.855,1191 3.908,1192 3.931,1193 3.873,1194 3.82,1195 7.429,1196 3.827,1197 3.805,1198 3.832,1199 3.75,1200 3.74,1201 5.021,1202 3.74,1203 3.68,1204 3.722,1205 3.565,1206 3.478,1207 4.868,1208 3.491,1209 3.439,1210 3.493,1211 3.352,1212 3.273,1213 4.787,1214 3.28,1215 3.387,1216 3.451,1217 3.291,1218 3.204,1219 4.623,1220 3.217,1221 0.082,1222 0.064,1223 0.12,1224 0.075,1225 0.057,1226 4.694,1227 0.082,1228 3.624,1229 0.019,1230 6.864,1231 0.201,1232 4.247,1233 0.056,1234 3.27,1235 4.649,1236 1.058,1237 11.485,1238 3.202,1239 1.97,1240 1.951,1241 2.049,1242 2.057,1243 1.241,1244 2.053,1245 1.928,1246 1.902,1247 2.029,1248 2.051,1249 1.226,1250 2.043,1251 1.912,1252 1.886,1253 2.008,1254 2.031,1255 1.194,1256 2.027,1257 1.894,1258 1.866,1259 1.994,1260 2.005,1261 1.175,1262 2.005,1263 1.803,1264 1.776,1265 1.881,1266 1.923,1267 1.004,1268 1.91,1269 1.628,1270 1.577,1271 1.843,1272 1.845,1273 0.984,1274 1.844,1275 1.497,1276 1.455,1277 1.649,1278 1.682,1279 0.868,1280 1.661,1281 1.412,1282 1.356,1283 1.605,1284 1.626,1285 0.825,1286 1.635,1287 4.745,1289 6.094,1290 2.398,1291 7.633,1292 4.949,1293 9.257,1294 7.222,1295 10.924,1299 41.538,1303 4.48,1305 6.475,1306 11.47,1309 2.299,1314 55.303,1315 134.069,1316 318.891,1317 418.194,1318 474.564,1319 479.319,1320 479.319,1321 102.619,1322 10.497,1323 88.17,1324 88.17,1325 48,1326 13.305,1327 5.17,1328 4.248,1329 67.6,1330 343,1331 400,1332 0.093,1333 325.514,1334 573.68,1335 786.013,1336 798805,1337 3.7,1338 34.191,1339 0.684,1340 0.538,1341 31.581,1342 26.888,1343 24.39,1344 0.428,1345 0.287,1346 16.102,1347 23.326,1348 15.863,1349 12.958,1350 23.175,1351 16.37,1352 22.413,1353 0.273,1354 0.151,1355 20.766,1356 12.348,1357 19.826,1358 0.175,1359 0.081,1360 18.345,1361 9.13,1362 16.884,1363 0.111,1364 0.043,1365 15.976,1366 6.563,1367 14.072,1368 0.07,1369 0.023,1370 13.628,1371 4.61,1372 0.152,1373 153.891,1374 0.16,1375 43.794,1376 0.24,1377 278,1378 955.141,1379 308.453,1380 842.252,1381 1139.71,1382 790,1383 334,1384 829.333,1385 366.032,1386 822.113,1387 1215.39,1388 776,1389 5.1}
{0 CHEMBL2001957,1 1.839,2 11.629,3 4.828,4 23.313,5 120.939,6 8.605,7 0.579,8 4.175,9 4.287,10 3.837,11 3.632,12 5.416,13 3.67,14 4.722,15 4.884,16 4.29,17 4.009,18 6.309,19 4.044,20 4.938,21 5.12,22 4.289,23 4.153,24 6.274,25 4.144,26 5.056,27 5.306,28 4.226,29 4.152,30 6.168,31 4.133,32 4.91,33 5.114,34 4.337,35 4.171,36 6.161,37 4.177,38 4.986,39 5.173,40 4.451,41 4.227,42 6.414,43 4.244,44 5.01,45 5.195,46 4.349,47 4.207,48 6.318,49 4.211,50 4.986,51 5.203,52 4.179,53 4.094,54 6.232,55 4.066,56 0.293,57 1.153,58 8.869,59 4.908,60 38.174,61 5.435,62 1.18,63 2.095,64 20.512,65 8.075,66 172.284,67 9.25,68 1.318,69 1.868,70 26.655,71 10.067,72 128.651,73 12.106,74 1.295,75 1.835,76 37.142,77 9.98,78 143.505,79 14.208,80 0.926,81 1.997,82 26.106,83 8.934,84 88.613,85 12.016,86 1.185,87 2.257,88 26.236,89 9.114,90 86.919,91 11.657,92 1.03,93 2.307,94 28.011,95 11.126,96 96.137,97 12.966,98 1.142,99 2.009,100 30.563,101 10.729,102 113.582,103 13.402,104 63,105 56,106 0.299,107 0.665,108 0.806,109 0.845,110 0.845,111 0.845,112 3.589,113 0.834,114 -4.77,115 -4.68,116 -4.4,119 40.4,120 2,123 1,125 3,132 1,142 5,143 1,144 1,145 2,146 2,147 1,150 1,151 1,152 1,161 1,172 6,174 3,175 3,178 2,180 2,183 5,187 5,188 4,193 4,196 2,199 1,200 8,204 1,205 1,208 1,212 1,213 10,216 1,221 2,224 3,225 9,228 3,230 1,233 3,238 7,243 2,246 2,249 2,250 5,253 2,255 3,258 1,264 2,267 1,272 4,276 2556,277 22.834,278 22.834,279 22.834,280 22.834,281 22.834,282 20.31,283 17.082,284 13.017,285 23.683,286 18.674,287 18.674,288 18.674,289 18.674,290 18.674,291 14.827,292 21.72,293 6.123,294 20.246,295 3.994,296 1.744,297 0.875,298 0.636,299 0.636,300 0.636,301 4.278,306 1,307 854,308 4.637,311 74.865,312 301.158,315 146.081,319 1.789,320 60.972,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 81,332 407,333 4.767,334 4.271,335 7.065,336 4.3,337 3.355,338 4.724,339 3.02,340 12.229,341 3.179,342 4.198,343 3.383,344 6.69,345 4.169,346 3.179,347 3.792,348 0.86,349 10.767,350 3.148,351 4.161,352 3.228,353 6.404,354 3.9,355 3.102,356 3.667,357 0.4,358 9.974,359 2.612,360 4.078,361 2.949,362 6.252,363 3.686,364 2.748,365 3.242,367 9.3,368 2.523,369 4.044,370 2.865,371 5.881,372 3.608,373 2.656,374 3.155,376 8.204,377 2.412,378 3.739,379 2.64,380 5.41,381 3.287,382 2.366,383 3.083,385 6.99,386 2.169,387 3.488,388 2.354,389 5.052,390 3.07,391 2.137,392 2.83,394 6.013,395 1.978,396 3.21,397 2.053,398 5.011,399 2.759,400 1.847,401 2.459,403 5.642,404 1.678,405 3.016,406 1.559,407 4.419,408 2.467,409 1.526,410 2.266,412 4.039,413 1.431,414 2.739,415 1.462,416 4.284,417 2.241,418 1.299,419 1.844,421 3.548,422 1.218,423 2.606,424 1.264,425 3.645,426 2.068,427 1.129,428 1.656,430 2.678,431 1.056,432 2.5,433 1.191,434 3.561,435 2,436 1,437 1.5,439 2.339,440 1,441 2.276,442 1.134,443 3.467,444 1.808,445 0.934,446 1.202,448 2.275,449 0.811,450 1.826,451 1,452 3.414,453 1.632,454 0.72,455 0.777,457 1.621,458 0.653,459 1.722,460 0.774,461 3.335,462 1.36,463 0.478,464 0.584,466 1.234,467 0.418,468 15.71,469 0.449,470 1.197,471 0.034,472 45,473 1.286,474 21,475 0.6,476 24,477 0.686,478 31.78,479 0.908,480 39.49,481 0.693,482 41.222,483 1.178,484 8.999,485 0.257,486 7.562,487 0.216,488 0.158,489 0.064,490 0.28,493 3,494 1,496 0.686,497 1.144,498 0.644,499 1.165,500 0.646,501 0.967,502 0.611,503 0.811,504 0.668,505 0.898,506 0.483,507 0.838,508 0.721,509 0.931,510 0.979,511 1.098,512 0.745,513 1.139,514 0.726,515 0.638,516 0.789,517 0.642,518 0.58,519 0.698,520 0.556,521 0.777,522 0.688,523 0.847,524 0.435,525 0.821,526 0.598,527 0.738,528 0.843,529 0.917,530 0.553,531 0.959,532 0.91,533 1.15,534 0.97,535 1.245,536 0.814,537 1.168,538 0.814,539 0.976,540 0.994,541 1.142,542 0.755,543 1.154,544 9.5,545 0.404,546 4.222,547 2.229,548 2.358,549 1.594,550 0.992,551 0.932,552 0.685,553 0.571,554 15857,555 59711,556 2.011,557 38.6,558 6,559 11,560 1,561 2,562 2,567 1.775,568 1.842,569 3.476,570 0.276,577 104.816,578 1.839,579 4.089,580 4.958,581 5.197,582 5.197,583 5.197,584 2.929,585 4.607,586 5.093,587 3.685,588 2192.45,589 8.995,590 33534.6,595 332.475,596 1.71,597 5.027,598 0.25,599 0.01,600 0.075,601 0.041,602 0.044,603 0.026,604 0.015,605 0.016,606 0.015,607 0.012,608 0.504,609 0.17,610 0.88,611 1.465,612 186.758,613 -0.078,614 -0.178,615 0.021,616 -0.093,617 -0.103,618 -0.018,619 0.234,620 0.183,621 0.161,622 0.106,623 0.303,624 0.096,625 0.086,626 0.004,627 -0.118,628 -0.102,629 -0.008,630 -0.174,631 -0.07,632 -0.001,633 0.176,634 0.253,635 -0.034,636 0.315,637 0.038,638 0.021,639 0.146,640 0.1,641 0.056,642 0.153,643 0.119,644 0.173,645 -0.023,646 0.011,647 0.067,648 -0.053,649 -0.097,650 -0.204,651 -0.099,652 -0.231,653 -0.066,654 -0.184,655 -0.023,656 -0.126,657 -0.059,658 -0.168,659 -0.033,660 -0.147,661 5.806,662 5.561,663 0.6,664 41.404,665 1.038,666 1.156,667 3.54,668 12.528,669 0.655,670 3.664,671 4.043,672 4.248,673 4.533,674 4.86,675 5.043,676 5.252,677 5.464,678 5.617,679 5.67,680 7.117,681 0.655,682 490.51,683 3.664,684 5.242,685 6.084,686 6.991,687 7.864,688 8.778,689 9.669,690 10.588,691 11.491,692 12.414,693 10.5,698 1,701 1,703 4,708 1,709 8,710 4,714 7,716 22,728 1,733 1,734 1,735 57,737 22,738 1,739 38,741 60,742 23,743 16,744 2,745 4,748 4,749 5,754 4,755 1,759 1,762 16,763 7,781 4,783 22,784 11,785 2,786 12,789 1,792 6,797 0.75,798 2,799 1,806 1,810 1,815 1,816 3,819 1,841 1,843 3,847 2,849 4,851 35,857 1,858 3,860 1,861 1,865 2,873 4,874 3.5,875 1,879 1,881 19,882 10.855,883 7.458,884 3.141,886 4.101,887 1.503,888 0.952,889 6.932,890 12.261,891 3.912,892 4.557,893 5.144,894 5.805,895 6.45,896 6.908,897 7.443,898 7.977,899 8.391,900 8.753,901 0.875,902 55,903 13.455,905 6.308,906 8.31,907 23.512,909 19.102,911 2.81,912 98.333,916 235.422,917 135.637,918 86.439,920 53.683,921 59.84,923 135.637,924 289.105,925 146.28,926 17.65,927 6.698,928 99.112,929 110.41,930 93.082,931 36.202,932 200.109,933 7.76,934 235.422,935 222.077,936 113.524,939 250.382,940 55.88,941 42.683,943 60.617,944 76.307,945 85.153,947 295.262,948 140.123,949 135.637,952 243.182,953 35.704,954 93.46,955 18.011,956 180.666,957 235.422,958 199.963,959 135.637,961 0.596,962 0.318,963 0.158,964 0.099,965 27,966 13,967 0.133,968 8,969 1,970 1.095,971 4.309,972 342.323,973 0.095,974 21,975 168.77,981 24.839,982 9.767,983 5.87,984 0.042,985 198.677,986 11.488,987 17.155,991 1.219,993 60.694,994 571.022,995 49,1007 59.152,1008 65.919,1009 0.315,1010 0.701,1011 0.85,1012 0.891,1013 0.891,1014 0.891,1015 5.185,1016 1.847,1017 6.142,1018 6.013,1019 4.727,1020 5.244,1021 2.802,1022 7.017,1023 4.578,1024 6.438,1025 1.526,1026 7.75,1027 5.642,1028 4.635,1029 5.215,1030 3.075,1031 8.29,1032 4.385,1033 7.784,1034 1.299,1035 9.464,1036 4.039,1037 6.463,1038 7.507,1039 4.561,1040 11.249,1041 6.181,1042 9.163,1043 1.129,1044 11.24,1045 3.548,1046 7.116,1047 8.251,1048 5.466,1049 13.253,1050 6.752,1051 10.57,1052 1,1053 13.053,1054 2.678,1055 8.505,1056 10.088,1057 6.665,1058 15.843,1059 8.107,1060 11.997,1061 0.934,1062 14.892,1063 2.339,1064 9.454,1065 11.219,1066 7.721,1067 18.115,1068 8.998,1069 13.44,1070 0.72,1071 16.747,1072 2.275,1073 10.695,1074 12.871,1075 8.85,1076 20.605,1077 10.203,1078 3.355,1079 0.478,1080 18.616,1081 1.621,1082 11.769,1083 14.209,1084 9.943,1085 22.986,1086 11.234,1087 3.179,1088 12.229,1089 20.494,1090 1.234,1091 12.96,1092 15.787,1093 11.055,1094 25.453,1095 12.39,1096 3.102,1097 10.767,1098 22.38,1099 4.724,1100 14.09,1101 17.232,1102 12.157,1103 27.884,1104 13.483,1105 2.748,1106 9.974,1107 24.273,1108 3.792,1109 15.266,1110 18.783,1111 13.264,1112 30.351,1113 14.626,1114 2.656,1115 9.3,1116 26.172,1117 3.667,1118 16.421,1119 20.281,1120 14.368,1121 32.807,1122 15.747,1123 2.366,1124 8.204,1125 28.076,1126 3.242,1127 17.596,1128 21.826,1129 15.474,1130 35.28,1131 16.889,1132 2.137,1133 6.99,1134 29.983,1135 3.155,1136 18.765,1137 23.351,1138 16.579,1139 37.751,1140 18.024,1141 15638,1142 30663,1143 24.444,1144 37.307,1145 58.218,1146 58.957,1147 59.363,1148 57.75,1149 57.633,1150 74.261,1151 8.56,1152 174.662,1153 53.161,1154 5.631,1155 6.271,1156 6.615,1157 5.383,1158 5.355,1159 7.724,1160 4.53,1161 19.76,1162 5.179,1163 21.664,1164 1.532,1165 1.552,1166 1.562,1167 1.52,1168 1.517,1169 1.954,1170 0.225,1171 4.596,1172 1.399,1173 4.157,1174 4.2,1175 4.142,1176 4.007,1177 8.513,1178 4.034,1179 3.855,1180 3.901,1181 3.806,1182 3.757,1183 8.201,1184 3.766,1185 3.839,1186 3.883,1187 3.776,1188 3.675,1189 7.999,1190 3.683,1191 3.718,1192 3.769,1193 3.621,1194 3.565,1195 7.999,1196 3.578,1197 3.58,1198 3.625,1199 3.56,1200 3.261,1201 6.456,1202 3.317,1203 3.272,1204 3.327,1205 3.233,1206 3.101,1207 5.149,1208 3.123,1209 3.117,1210 3.206,1211 2.976,1212 2.87,1213 4.957,1214 2.883,1215 2.981,1216 3.063,1217 2.894,1218 2.735,1219 4.667,1220 2.747,1221 0.125,1222 0.112,1223 0.186,1224 0.113,1225 0.088,1226 4.767,1227 0.124,1228 4.271,1229 0.079,1230 7.065,1231 0.322,1232 4.3,1233 0.084,1234 3.355,1235 4.724,1236 3.02,1237 12.229,1238 3.179,1239 1.925,1240 1.898,1241 2.012,1242 2.08,1243 1.286,1244 2.048,1245 1.851,1246 1.81,1247 1.994,1248 1.994,1249 1.116,1250 1.981,1251 1.784,1252 1.731,1253 1.913,1254 1.967,1255 0.989,1256 1.974,1257 1.682,1258 1.637,1259 1.783,1260 1.861,1261 0.799,1262 1.849,1263 1.382,1264 1.339,1265 1.562,1266 1.715,1267 0.73,1268 1.654,1269 1.258,1270 1.218,1271 1.417,1272 1.458,1273 0.548,1274 1.435,1275 1.068,1276 0.977,1277 1.414,1278 1.349,1279 0.469,1280 1.344,1281 0.934,1282 0.836,1283 1.333,1284 1.299,1285 0.425,1286 1.315,1287 4.344,1289 5.707,1290 2.398,1291 7.246,1292 4.844,1293 8.862,1294 7.081,1295 10.522,1297 3.743,1299 51.856,1302 9.49,1303 -1.185,1305 3.078,1306 4.907,1310 -4.975,1314 37.359,1315 104.816,1316 233.091,1317 282.6,1318 296.21,1319 296.21,1320 296.21,1321 85.772,1322 8.16,1323 97.46,1324 97.46,1325 23,1326 12.925,1327 4.524,1328 3.585,1329 58.972,1330 140,1331 172,1332 0.198,1333 226.098,1334 394.88,1335 543.439,1336 38664,1337 7,1338 25.217,1339 0.72,1340 0.538,1341 21.847,1342 18.844,1343 16.561,1344 0.436,1345 0.278,1346 10.307,1347 15.536,1348 10.091,1349 8.335,1350 15.02,1351 10.569,1352 16.464,1353 0.294,1354 0.153,1355 13.532,1356 8.587,1357 12.286,1358 0.178,1359 0.073,1360 11.27,1361 5.051,1362 9.64,1363 0.105,1364 0.035,1365 9.241,1366 3.21,1367 8.614,1368 0.067,1369 0.018,1370 8.007,1371 2.28,1372 0.304,1373 106.811,1374 0.202,1375 31.705,1376 0.563,1377 188,1378 836.888,1379 226.18,1380 693.463,1381 906.94,1382 644,1383 219,1384 639.43,1385 251.438,1386 618.64,1387 926.61,1388 579,1389 5.1}
{0 CHEMBL2001998,1 1.568,2 16.559,3 2.73,4 7.451,5 129.654,6 7.501,7 0.447,8 4.222,9 4.349,10 3.803,11 3.735,12 5.32,13 3.727,14 4.783,15 4.971,16 4.153,17 4.146,18 5.801,19 4.115,20 5.016,21 5.227,22 4.202,23 4.29,24 6.005,25 4.225,26 5.101,27 5.332,28 4.093,29 4.273,30 6.093,31 4.179,32 5.067,33 5.331,34 3.987,35 4.189,36 5.961,37 4.072,38 4.98,39 5.251,40 3.869,41 4.073,42 5.81,43 3.958,44 4.804,45 5.057,46 3.812,47 3.98,48 5.735,49 3.886,50 4.701,51 4.921,52 3.779,53 3.951,54 5.697,55 3.857,56 0.059,57 0.968,58 12.353,59 5.148,60 11.35,61 6.922,62 0.371,63 1.546,64 24.689,65 8.44,66 26.626,67 11.881,68 0.37,69 1.818,70 32.526,71 11.573,72 41.087,73 16.159,74 0.564,75 1.864,76 37.143,77 12.14,78 69.225,79 17.179,80 0.533,81 1.738,82 37.182,83 12.432,84 59.253,85 18.194,86 0.468,87 1.537,88 34.905,89 11.425,90 46.258,91 16.685,92 0.439,93 1.366,94 28.362,95 9.297,96 43.751,97 13.429,98 0.224,99 1.305,100 23.704,101 8.665,102 34.691,103 12.272,104 15,105 53,106 0.251,107 0.619,108 0.792,109 0.862,110 0.862,111 0.862,112 3.56,113 0.912,114 -2.81,115 -2.82,116 -2.74,119 41,121 2,124 1,125 6,142 5,143 4,144 1,145 1,146 2,152 1,158 1,159 1,168 1,172 8,174 1,175 8,178 2,180 2,183 10,187 2,188 7,193 4,196 8,199 2,200 6,205 2,208 7,212 1,213 6,216 3,218 2,221 7,224 1,225 5,233 6,237 2,238 7,243 2,246 5,250 5,253 1,258 1,263 2,264 7,267 2,272 1,276 2238,277 23.618,278 23.618,279 23.618,280 23.618,281 23.618,282 21.452,283 29.185,284 13.817,285 24.182,286 18.629,287 18.629,288 18.629,289 18.629,290 18.629,291 15.097,292 35.496,293 6.406,294 19.458,295 4.363,296 2.056,297 0.977,298 0.537,299 0.537,300 0.537,301 4.271,305 1,306 1,307 1236,308 3.742,311 144.846,312 314.889,314 117.599,315 128.276,318 178.213,319 2.676,320 28.824,323 1,324 0.67,325 1,326 0.8,327 0.5,328 1,329 1,330 0.85,331 73.5,332 563,333 4.66,334 4.057,335 6.933,336 4.303,337 3.316,338 4.39,339 2.035,340 11.729,341 3.272,342 4.214,343 3.673,344 6.293,345 3.808,346 2.826,347 3.849,348 1.701,349 9.462,350 2.777,351 3.98,352 3.448,353 6.021,354 3.754,355 2.815,356 3.511,357 0.86,358 8.543,359 2.635,360 3.953,361 2.932,362 5.535,363 3.462,364 2.503,365 3.102,366 0.8,367 7.236,368 2.402,369 3.676,370 2.847,371 5.313,372 3.331,373 2.4,374 2.99,375 0.68,376 6.85,377 2.228,378 3.459,379 2.707,380 5.289,381 3.241,382 2.294,383 2.671,384 0.563,385 6.734,386 2.166,387 3.398,388 2.417,389 5.199,390 2.954,391 1.979,392 2.471,393 0.075,394 6.209,395 1.922,396 3.104,397 2.186,398 4.888,399 2.661,400 1.673,401 2.182,403 5.182,404 1.651,405 2.876,406 2.091,407 4.127,408 2.512,409 1.544,410 1.665,412 3.608,413 1.484,414 2.679,415 1.9,416 4.1,417 2.272,418 1.331,419 1.616,421 3.131,422 1.242,423 2.584,424 1.628,425 3.791,426 2.129,427 1.156,428 1.5,430 2.921,431 1.122,432 2.5,433 1.247,434 3.6,435 1.967,436 1,437 1.45,439 2.65,440 0.965,441 2.408,442 1.146,443 3.414,444 1.963,445 1,446 1.391,448 2.275,449 0.961,450 2.402,451 1.094,452 3.414,453 1.933,454 0.966,455 1,457 2.275,458 0.932,459 2,460 1,461 3.138,462 1.52,463 0.581,464 0.952,466 1.321,467 0.541,468 15.967,469 0.47,470 0.687,471 0.02,472 44,473 1.294,474 21,475 0.618,476 23,477 0.676,478 29.229,479 0.86,480 36.233,481 0.594,482 32.97,483 0.97,484 8.669,485 0.255,486 7.987,487 0.235,488 0.077,490 0.332,496 0.795,497 1.377,498 0.766,499 1.127,500 0.498,501 0.968,502 1.017,503 0.999,504 0.902,505 0.872,506 0.52,507 0.86,508 1.059,509 1.049,510 0.979,511 1.04,512 0.695,513 1.008,514 1.297,515 1.007,516 1.164,517 1.043,518 1.297,519 1.084,520 0.841,521 0.899,522 0.946,523 0.981,524 0.879,525 0.985,526 1.016,527 0.878,528 0.888,529 0.884,530 0.482,531 0.879,532 1.055,533 0.807,534 0.942,535 0.82,536 0.753,537 0.861,538 0.898,539 1.145,540 1.071,541 1.207,542 0.925,543 1.175,544 6,545 0.188,546 4,547 1.729,548 1.513,549 1.105,550 0.652,551 0.368,552 0.294,553 0.228,554 20371,555 54307,556 2.145,557 44.3,558 2,559 20,561 1,562 2,565 2,567 1.752,568 2.04,569 3.966,570 0.206,577 95.645,578 1.568,579 3.874,580 4.954,581 5.394,582 5.394,583 5.394,584 3.52,585 4.337,586 5.052,587 4.148,588 2327.01,589 8.819,590 38205.7,595 361.775,596 1.286,597 5.033,598 0.158,599 0.006,600 0.075,601 0.032,602 0.033,603 0.027,604 0.018,605 0.01,606 0.009,607 0.008,608 0.376,609 0.33,610 0.88,611 0.849,612 187.576,613 0.001,614 -0.165,615 0.067,616 -0.071,617 0.051,618 -0.005,619 -0.022,620 0.121,621 0.021,622 0.119,623 0.051,624 0.088,625 -0.076,626 -0.027,627 -0.03,628 -0.028,629 0.044,630 -0.023,631 -0.16,632 -0.03,633 -0.173,634 -0.059,635 -0.143,636 -0.112,637 0.082,638 0.02,639 0.057,640 0.013,641 -0.022,642 0.027,643 -0.005,644 -0.002,645 0.139,646 0.115,647 0.049,648 0.142,649 -0.047,650 0.136,651 0.06,652 0.171,653 0.015,654 0.138,655 -0.056,656 -0.139,657 -0.131,658 -0.186,659 -0.066,660 -0.173,661 1.666,662 4.702,663 0.706,664 48.166,665 1.003,666 1.132,667 1.583,668 2.504,669 0.665,670 3.664,671 3.989,672 4.304,673 4.575,674 4.82,675 4.984,676 5.176,677 5.288,678 5.403,679 5.545,680 9.214,681 0.637,682 457.59,683 3.664,684 5.209,685 6.075,686 6.957,687 7.843,688 8.736,689 9.632,690 10.534,691 11.437,692 12.346,693 11.5,696 1,700 2,701 1,702 1,703 2,709 6,710 2,711 1,714 8,716 17,718 1,733 1,735 61,737 19,738 1,739 38,741 65,742 25,743 14,744 3,745 3,748 5,749 8,753 1,757 1,760 2,761 1,762 15,763 9,767 1,772 1,776 1,783 27,784 8,785 2,786 9,792 7,797 0.6,798 2,807 1,809 1,815 2,816 3,818 1,819 1,822 1,839 1,843 3,847 1,851 34,858 8,860 1,861 1,864 2,866 1,870 1,872 1,874 3.3,877 1,879 1,881 16.667,882 11.333,883 7.583,884 3.789,886 3.576,887 1.413,888 1.003,889 6.597,890 12.246,891 3.922,892 4.469,893 5.068,894 5.637,895 6.162,896 6.578,897 7.082,898 7.486,899 7.896,900 8.322,901 1,902 54,903 12.548,905 5.341,906 7.706,907 24.24,909 20.186,911 2.206,912 75,915 1,916 294.278,917 132.149,918 105.43,920 36.145,923 132.149,924 330.422,925 105.43,926 8.396,927 41.325,928 47.381,929 86.966,930 94.393,931 7.033,932 282.506,934 294.278,935 237.579,936 36.145,939 270.735,940 59.687,943 106.733,944 97.398,945 33.449,947 294.278,948 141.575,949 132.149,952 294.278,953 50.722,954 71.074,955 51.276,956 100.653,957 294.278,958 141.575,959 132.149,961 0.577,962 0.348,963 0.182,964 0.098,965 26,966 11,967 0.092,968 6,969 2,970 1.167,971 4.699,972 312.6,973 0.167,974 24,975 168.974,981 22.553,982 9.945,983 4.721,985 124.912,986 11.54,987 8.692,988 3.185,991 7.563,993 34.674,994 568.001,995 49.5,1000 11.702,1004 0.001,1007 61.203,1008 69.059,1009 0.264,1010 0.653,1011 0.835,1012 0.909,1013 0.909,1014 0.909,1015 5.178,1016 1.673,1017 6.052,1018 6.209,1019 4.673,1020 5.156,1021 2.895,1022 6.872,1023 4.595,1024 6.369,1025 1.544,1026 7.614,1027 5.182,1028 4.205,1029 4.89,1030 1.404,1031 7.796,1032 4.104,1033 7.67,1034 1.331,1035 9.276,1036 3.608,1037 6.275,1038 7.303,1039 3.883,1040 10.907,1041 6.133,1042 9.008,1043 1.156,1044 10.999,1045 3.131,1046 6.673,1047 7.924,1048 2.498,1049 12.706,1050 6.52,1051 10.38,1052 1,1053 12.761,1054 2.921,1055 8.172,1056 9.773,1057 5.152,1058 15.344,1059 7.987,1060 11.778,1061 1,1062 14.553,1063 2.65,1064 8.971,1065 10.808,1066 3.613,1067 17.514,1068 8.783,1069 13.196,1070 0.966,1071 16.366,1072 2.275,1073 10.25,1074 12.432,1075 6.502,1076 20.011,1077 10.04,1078 3.316,1079 0.581,1080 18.196,1081 2.275,1082 11.243,1083 13.674,1084 4.718,1085 22.342,1086 11.032,1087 2.826,1088 11.729,1089 20.041,1090 1.321,1091 12.441,1092 15.201,1093 7.882,1094 24.8,1095 12.216,1096 2.815,1097 9.462,1098 21.897,1099 4.39,1100 13.528,1101 16.551,1102 5.808,1103 27.2,1104 13.301,1105 2.503,1106 8.543,1107 23.764,1108 3.849,1109 14.701,1110 18.038,1111 9.276,1112 29.65,1113 14.465,1114 2.4,1115 7.236,1116 25.64,1117 3.511,1118 15.835,1119 19.444,1120 6.887,1121 32.081,1122 15.595,1123 2.294,1124 6.85,1125 27.523,1126 3.102,1127 17.006,1128 20.916,1129 10.679,1130 34.533,1131 16.758,1132 1.979,1133 6.734,1134 29.412,1135 2.99,1136 18.164,1137 22.351,1138 7.96,1139 36.978,1140 17.911,1141 19037,1142 31249,1143 25.948,1144 40.563,1145 58.131,1146 60.686,1147 58.775,1148 56.633,1149 56.625,1150 71.737,1151 13.429,1152 163.536,1153 54.35,1154 5.66,1155 6.057,1156 6.618,1157 5.373,1158 5.316,1159 7.39,1160 4.069,1161 19.269,1162 5.272,1163 14.759,1164 1.53,1165 1.597,1166 1.547,1167 1.49,1168 1.49,1169 1.888,1170 0.353,1171 4.304,1172 1.43,1173 4.128,1174 4.161,1175 4.096,1176 4.044,1177 7.429,1178 4.052,1179 3.876,1180 3.946,1181 3.826,1182 3.779,1183 6.821,1184 3.786,1185 3.866,1186 3.898,1187 3.772,1188 3.663,1189 5.053,1190 3.677,1191 3.659,1192 3.707,1193 3.602,1194 3.49,1195 4.809,1196 3.51,1197 3.558,1198 3.625,1199 3.452,1200 3.361,1201 4.717,1202 3.367,1203 3.412,1204 3.496,1205 3.259,1206 3.15,1207 4.373,1208 3.169,1209 3.166,1210 3.215,1211 3.128,1212 3.025,1213 4.276,1214 3.043,1215 3.111,1216 3.206,1217 2.973,1218 2.941,1219 4.159,1220 2.91,1221 0.123,1222 0.107,1223 0.182,1224 0.113,1225 0.087,1226 4.66,1227 0.116,1228 4.057,1229 0.054,1230 6.933,1231 0.309,1232 4.303,1233 0.086,1234 3.316,1235 4.39,1236 2.035,1237 11.729,1238 3.272,1239 1.893,1240 1.873,1241 2.011,1242 2.038,1243 1.33,1244 2.032,1245 1.866,1246 1.839,1247 1.976,1248 1.989,1249 1.164,1250 1.984,1251 1.795,1252 1.725,1253 1.941,1254 1.962,1255 1.108,1256 1.958,1257 1.546,1258 1.488,1259 1.8,1260 1.783,1261 1.046,1262 1.786,1263 1.512,1264 1.474,1265 1.677,1266 1.66,1267 0.845,1268 1.671,1269 1.362,1270 1.273,1271 1.635,1272 1.649,1273 0.825,1274 1.64,1275 1.253,1276 1.185,1277 1.513,1278 1.54,1279 0.687,1280 1.503,1281 1.153,1282 1.064,1283 1.364,1284 1.376,1285 0.528,1286 1.429,1287 4.344,1289 5.666,1290 3.045,1291 7.185,1292 5.476,1293 8.791,1294 7.644,1295 10.449,1297 1.671,1303 6.654,1305 2.687,1306 6.055,1309 4.229,1312 8.975,1313 2.047,1314 38.847,1315 95.645,1316 236.335,1317 302.191,1318 329.02,1319 329.02,1320 329.02,1321 53.344,1322 8.669,1323 110.17,1324 110.17,1325 28,1326 12.864,1327 4.322,1328 3.644,1329 50.545,1330 189,1331 198,1332 0.129,1333 236.963,1334 412.1,1335 569.95,1336 85727,1338 23.493,1339 0.691,1340 0.564,1341 23.493,1342 19.174,1343 16.657,1344 0.438,1345 0.304,1346 11.362,1347 15.927,1348 11.128,1349 9.157,1350 16.657,1351 11.549,1352 14.547,1353 0.274,1354 0.161,1355 14.547,1356 8.551,1357 13.104,1358 0.18,1359 0.089,1360 13.104,1361 6.497,1362 10.655,1363 0.111,1364 0.048,1365 10.655,1366 4.632,1367 8.635,1368 0.07,1369 0.026,1370 8.635,1371 3.212,1372 0.212,1373 104.886,1374 0.196,1375 32.393,1376 0.328,1377 182,1378 522.362,1379 199.663,1380 506.444,1381 696.82,1382 476,1383 217,1384 515.753,1385 235.804,1386 521.51,1387 763.22,1388 491,1389 5.1}
{0 CHEMBL2002165,1 1.751,2 15.278,3 3.757,4 14.114,5 140.416,6 8.519,7 0.675,8 4.201,9 4.315,10 3.905,11 3.787,12 5.415,13 3.769,14 4.681,15 4.822,16 4.284,17 4.184,18 5.911,19 4.146,20 4.927,21 5.108,22 4.315,23 4.293,24 6.098,25 4.229,26 4.975,27 5.178,28 4.407,29 4.312,30 6.163,31 4.235,32 4.956,33 5.149,34 4.291,35 4.261,36 6.15,37 4.18,38 4.834,39 5.03,40 4.139,41 4.148,42 6.085,43 4.07,44 4.774,45 4.982,46 4.042,47 4.106,48 5.87,49 4.018,50 4.795,51 4.999,52 4.084,53 4.104,54 5.931,55 4.005,56 0.145,57 0.985,58 10.126,59 5.102,60 18.223,61 5.721,62 0.329,63 1.552,64 19.261,65 8.788,66 33.076,67 10.17,68 0.561,69 1.878,70 27.619,71 11.015,72 69.318,73 12.557,74 0.503,75 1.973,76 32.954,77 12.247,78 52.415,79 15.066,80 0.602,81 1.896,82 36.564,83 12.258,84 72.286,85 13.584,86 0.552,87 1.645,88 27.244,89 10.487,90 84.387,91 12.803,92 0.401,93 1.562,94 26.34,95 9.96,96 49.823,97 12.344,98 0.38,99 1.567,100 27.536,101 10.983,102 40.417,103 13.429,104 28,105 57,106 0.279,107 0.655,108 0.809,109 0.874,110 0.887,111 0.892,112 3.615,113 0.904,114 -4.46,115 -4.38,116 -4.13,119 44.1,120 1,125 1,127 1,142 8,143 5,144 3,145 2,147 1,151 2,152 1,159 1,163 1,164 1,165 1,166 1,172 9,175 4,177 1,178 3,179 1,180 6,183 14,185 1,188 5,191 1,193 4,196 11,198 1,200 7,203 1,205 9,208 6,210 3,212 2,213 9,218 8,221 6,223 3,225 6,230 6,233 9,235 2,238 3,240 2,241 2,243 2,246 8,250 6,253 2,254 1,255 4,257 1,258 8,264 5,269 3,272 6,276 2634,277 24.187,278 24.187,279 24.187,280 24.187,281 24.187,282 20.87,283 21.644,284 14.156,285 24.729,286 19.786,287 19.786,288 19.786,289 19.786,290 19.786,291 14.765,292 26.24,293 6.774,294 20.692,295 4.132,296 1.772,297 0.805,298 0.398,299 0.318,300 0.284,301 4.319,306 1,307 1198,308 3.808,311 179.984,312 353.473,315 159.015,319 2.571,320 39.334,323 0.75,324 0.83,325 0.83,326 0.5,328 0.67,329 0.5,330 0.58,331 78.5,332 550,333 4.748,334 3.563,335 7.013,336 4.283,337 3.316,338 4.726,339 1.656,340 11.98,341 3.207,342 4.253,343 3.328,344 6.353,345 3.869,346 2.887,347 3.89,348 0.247,349 9.671,350 2.838,351 4.09,352 2.947,353 5.789,354 3.7,355 2.737,356 3.671,358 7.955,359 2.628,360 4.018,361 2.923,362 5.617,363 3.587,364 2.621,365 3.63,367 7.751,368 2.527,369 3.778,370 2.7,371 5.457,372 3.421,373 2.461,374 3.173,376 7.206,377 2.352,378 3.606,379 2.535,380 5.377,381 3.257,382 2.294,383 2.941,385 6.9,386 2.202,387 3.465,388 2.333,389 4.994,390 3.048,391 2.093,392 2.773,394 5.71,395 1.992,396 3.295,397 2.276,398 4.901,399 2.917,400 1.995,401 2.561,403 5.514,404 1.834,405 3.156,406 2.162,407 4.58,408 2.751,409 1.812,410 2.337,412 4.755,413 1.687,414 3.058,415 1.865,416 4.482,417 2.653,418 1.693,419 2.169,421 4.549,422 1.595,423 2.732,424 1.417,425 4.318,426 2.306,427 1.34,428 1.799,430 3.862,431 1.288,432 2.658,433 1.275,434 3.981,435 2.171,436 1.182,437 1.728,439 2.9,440 1.166,441 2.552,442 1.095,443 3.589,444 2.011,445 1.066,446 1.575,448 2.586,449 1,450 2.5,451 1,452 3.479,453 2,454 1,455 1.5,457 2.275,458 0.998,459 2.258,460 0.853,461 3.414,462 1.675,463 0.807,464 1.153,466 2.07,467 0.688,468 17.186,469 0.477,470 0.976,471 0.027,472 50.25,473 1.396,474 27,475 0.75,476 23.25,477 0.646,478 29.427,479 0.817,480 37.414,481 0.634,482 41.157,483 1.143,484 9.881,485 0.274,486 7.487,487 0.208,488 0.108,490 0.372,494 1,496 0.774,497 0.98,498 0.717,499 0.818,500 0.723,501 0.788,502 0.676,503 0.995,504 0.826,505 0.939,506 0.583,507 0.892,508 1.162,509 0.979,510 0.987,511 0.866,512 1.105,513 0.957,514 0.708,515 1.013,516 0.889,517 1.012,518 0.635,519 0.928,520 1.125,521 0.989,522 1.385,523 1.202,524 1.103,525 1.046,526 0.733,527 0.988,528 0.985,529 1.047,530 0.731,531 1.062,532 0.737,533 0.89,534 1.016,535 1.02,536 0.706,537 1.037,538 0.628,539 1.022,540 0.999,541 1.195,542 0.604,543 1.145,544 8,545 0.17,546 3.556,547 2.75,548 2.024,549 1.439,550 0.778,551 0.57,552 0.395,553 0.409,554 21836,555 66752,556 2.103,557 39,559 11,560 2,561 2,562 5,564 3,567 1.77,568 1.964,569 3.864,570 2.272,577 103.313,578 1.751,579 4.111,580 5.077,581 5.484,582 5.565,583 5.599,584 3.398,585 4.892,586 5.134,587 4.074,588 2566.87,589 9.008,590 42347.1,595 347.076,596 1.426,597 5.099,598 0.2,599 0.005,600 0.062,601 0.049,602 0.035,603 0.028,604 0.017,605 0.013,606 0.009,607 0.011,608 0.43,610 0.75,611 0.826,612 199.473,613 -0.083,614 0.05,615 0.027,616 0.107,617 -0.123,618 0.079,619 0.063,620 0.014,621 0.026,622 0.032,623 0.063,624 0.02,625 -0.185,626 0.025,627 -0.086,628 0.084,629 -0.168,630 -0.023,631 0.069,632 -0.062,633 0.16,634 0.026,635 0.089,636 0.071,637 -0.157,638 -0.008,639 -0.187,640 -0.087,641 -0.122,642 -0.069,643 0.082,644 -0.08,645 -0.05,646 -0.078,647 0.113,648 -0.085,649 -0.039,650 0.032,651 -0.073,652 -0.041,653 -0.059,654 -0.044,655 0.094,656 -0.131,657 0.003,658 -0.166,659 0.061,660 -0.123,661 2.136,662 5.333,663 0.722,664 50.25,665 1.014,666 1.126,667 3.225,668 10.402,669 0.701,670 3.714,671 4.06,672 4.331,673 4.654,674 4.852,675 4.997,676 5.159,677 5.342,678 5.455,679 5.572,680 8.815,681 0.676,682 502.62,683 3.714,684 5.273,685 6.129,686 7.024,687 7.899,688 8.8,689 9.687,690 10.593,691 11.487,692 12.397,693 10.2,697 1,700 2,701 1,703 2,708 2,709 12,710 2,713 1,714 8,715 1,716 27,727 1,734 1,735 59,737 28,738 2,739 40,741 63,742 26,743 22,744 4,745 8,748 5,749 6,753 1,754 1,760 1,762 23,763 3,767 1,772 1,776 1,781 1,783 23,784 8,785 5,786 10,787 1,792 6,797 0.8,798 2,800 1,807 1,809 1,815 2,816 3,819 1,841 1,843 4,845 1,847 1,849 1,851 36,852 1,857 1,858 1,860 2,863 1,869 1,873 1,874 3.4,875 1,877 1,881 18.333,882 10.693,883 7.75,884 3.284,886 5.101,887 1.591,888 1.006,889 6.897,890 13.738,891 4.016,892 4.668,893 5.288,894 5.959,895 6.482,896 6.893,897 7.382,898 7.896,899 8.281,900 8.692,901 1,902 56,903 13.29,905 5.78,906 7.917,907 24.901,909 20.603,911 2.417,912 87,916 211.88,917 190.109,918 104.144,920 67.828,921 14.96,922 31.278,923 158.832,924 279.708,925 119.104,926 8.825,927 38.127,928 168.087,929 82.136,930 49.821,931 45.852,932 196.073,934 211.88,935 262.975,936 82.788,937 31.278,939 191.527,940 60.458,941 42.683,943 66.824,944 162.703,945 33.449,946 31.278,947 226.84,948 171.972,949 190.109,952 211.88,953 70.683,954 121.203,955 36.022,956 149.134,957 211.88,958 186.932,959 190.109,961 0.586,962 0.331,963 0.188,964 0.099,965 28,966 13,967 0.095,968 6,969 1,970 1.077,971 4.702,972 346.541,973 0.077,974 26,975 182.117,977 1,981 24.224,982 10.25,983 5.375,984 1.844,985 185.156,986 20.473,987 8.756,990 1.568,991 4.629,992 1.701,993 111.602,994 588.921,995 54.5,1000 12.271,1004 -0.469,1007 59.807,1008 66.405,1009 0.298,1010 0.699,1011 0.863,1012 0.932,1013 0.946,1014 0.952,1015 5.256,1016 1.995,1017 6.125,1018 5.71,1019 4.745,1020 5.357,1021 1.758,1022 6.948,1023 4.66,1024 6.485,1025 1.812,1026 7.687,1027 5.514,1028 4.369,1029 5.198,1030 1.195,1031 7.863,1032 4.256,1033 7.801,1034 1.693,1035 9.346,1036 4.755,1037 6.347,1038 7.609,1039 2.415,1040 10.989,1041 6.197,1042 9.154,1043 1.34,1044 11.064,1045 4.549,1046 6.77,1047 8.297,1048 2.324,1049 12.785,1050 6.592,1051 10.538,1052 1.182,1053 12.823,1054 3.862,1055 8.233,1056 10.176,1057 3.244,1058 15.451,1059 8.025,1060 11.947,1061 1.066,1062 14.612,1063 2.9,1064 9.034,1065 11.286,1066 3.407,1067 17.636,1068 8.799,1069 13.375,1070 1,1071 16.426,1072 2.586,1073 10.298,1074 12.948,1075 4.156,1076 20.159,1077 10.034,1078 3.316,1079 0.807,1080 18.259,1081 2.275,1082 11.288,1083 14.275,1084 4.464,1085 22.513,1086 10.994,1087 2.887,1088 11.98,1089 20.11,1090 2.07,1091 12.478,1092 15.851,1093 5.111,1094 24.996,1095 12.156,1096 2.737,1097 9.671,1098 21.974,1099 4.726,1100 13.562,1101 17.288,1102 5.504,1103 27.42,1104 13.207,1105 2.621,1106 7.955,1107 23.851,1108 3.89,1109 14.731,1110 18.835,1111 6.091,1112 29.894,1113 14.346,1114 2.461,1115 7.751,1116 25.738,1117 3.671,1118 15.861,1119 20.327,1120 6.531,1121 32.348,1122 15.444,1123 2.294,1124 7.206,1125 27.633,1126 3.63,1127 17.029,1128 21.866,1129 7.083,1130 34.823,1131 16.579,1132 2.093,1133 6.9,1134 29.536,1135 3.173,1136 18.185,1137 23.386,1138 7.551,1139 37.291,1140 17.702,1141 20516,1142 36034,1143 26.759,1144 41.381,1145 61.037,1146 61.322,1147 62.251,1148 60.106,1149 60.103,1150 81.399,1151 3.806,1152 175.071,1153 57.34,1154 5.614,1155 5.563,1156 6.569,1157 5.396,1158 5.316,1159 7.726,1160 2.912,1161 19.548,1162 5.207,1163 18.877,1164 1.526,1165 1.533,1166 1.556,1167 1.503,1168 1.503,1169 2.035,1170 0.095,1171 4.377,1172 1.433,1173 4.142,1174 4.16,1175 4.346,1176 4.137,1177 8.201,1178 4.099,1179 3.932,1180 3.975,1181 3.885,1182 3.833,1183 7.431,1184 3.836,1185 3.906,1186 3.945,1187 3.879,1188 3.803,1189 6.45,1190 3.807,1191 3.806,1192 3.845,1193 3.796,1194 3.681,1195 5.19,1196 3.685,1197 3.522,1198 3.575,1199 3.459,1200 3.366,1201 4.93,1202 3.358,1203 3.423,1204 3.47,1205 3.379,1206 3.174,1207 4.773,1208 3.206,1209 3.259,1210 3.308,1211 3.35,1212 3.097,1213 4.661,1214 3.097,1215 3.04,1216 3.13,1217 2.993,1218 2.869,1219 4.561,1220 2.853,1221 0.119,1222 0.089,1223 0.175,1224 0.107,1225 0.083,1226 4.748,1227 0.118,1228 3.563,1229 0.041,1230 7.013,1231 0.299,1232 4.283,1233 0.08,1234 3.316,1235 4.726,1236 1.656,1237 11.98,1238 3.207,1239 1.966,1240 1.947,1241 2.037,1242 2.047,1243 1.192,1244 2.044,1245 1.88,1246 1.853,1247 1.979,1248 1.993,1249 1.123,1250 1.988,1251 1.844,1252 1.825,1253 1.907,1254 1.935,1255 1.053,1256 1.937,1257 1.656,1258 1.593,1259 1.867,1260 1.897,1261 1.041,1262 1.889,1263 1.459,1264 1.436,1265 1.558,1266 1.61,1267 0.699,1268 1.593,1269 1.294,1270 1.262,1271 1.464,1272 1.54,1273 0.585,1274 1.526,1275 1.209,1276 1.17,1277 1.397,1278 1.515,1279 0.466,1280 1.493,1281 1.19,1282 1.105,1283 1.278,1284 1.308,1285 0.308,1286 1.35,1287 4.394,1289 5.733,1290 3.045,1291 7.249,1292 5.352,1293 8.853,1294 7.434,1295 10.509,1297 1.716,1299 13.333,1301 6.286,1302 9.639,1303 0.405,1305 5.348,1308 -0.5,1314 39.87,1315 103.313,1316 242.547,1317 299.566,1318 323.566,1319 328.321,1320 330.321,1321 69.302,1322 8.637,1323 118.09,1324 146.33,1325 28,1326 12.916,1327 4.858,1328 3.954,1329 54.779,1330 188,1331 188,1332 0.14,1333 246.236,1334 415.9,1335 592.575,1336 81258,1337 1.7,1338 25.233,1339 0.701,1340 0.558,1341 24.717,1342 20.09,1343 17.368,1344 0.434,1345 0.301,1346 11.097,1347 16.252,1348 10.778,1349 8.923,1350 17.428,1351 12.057,1352 16.265,1353 0.285,1354 0.162,1355 16.155,1356 9.257,1357 12.99,1358 0.173,1359 0.088,1360 13.374,1361 6.57,1362 11.671,1363 0.112,1364 0.049,1365 12.289,1366 5.071,1367 8.946,1368 0.07,1369 0.026,1370 9.683,1371 3.312,1372 0.225,1373 113.397,1374 0.193,1375 33.496,1376 0.366,1377 194,1378 617.77,1379 235.31,1380 600.996,1381 816.12,1382 560,1383 229,1384 587.921,1385 267.937,1386 606.177,1387 884.23,1388 570,1389 7.5}
{0 CHEMBL2002240,1 1.524,2 8.565,3 2.327,4 5.413,5 88.949,6 8.172,7 0.68,8 3.712,9 3.827,10 3.352,11 3.336,12 4.987,13 3.324,14 4.154,15 4.296,16 3.702,17 3.7,18 5.381,19 3.669,20 4.405,21 4.574,22 3.779,23 3.832,24 5.634,25 3.792,26 4.436,27 4.637,28 3.758,29 3.8,30 5.742,31 3.738,32 4.387,33 4.591,34 3.64,35 3.716,36 5.634,37 3.662,38 4.317,39 4.523,40 3.589,41 3.633,42 5.63,43 3.577,44 4.278,45 4.491,46 3.453,47 3.546,48 5.583,49 3.484,50 4.165,51 4.389,52 3.236,53 3.366,54 5.555,55 3.278,56 0.037,57 0.538,58 5.945,59 2.867,60 10.849,61 3.447,62 0.103,63 0.819,64 10.261,65 4.945,66 14.661,67 6.305,68 0.18,69 1.043,70 14.675,71 5.931,72 39.447,73 7.172,74 0.226,75 1.09,76 16.019,77 6.678,78 43.709,79 8.935,80 0.181,81 1.033,82 15.465,83 5.691,84 41.761,85 7.226,86 0.194,87 0.951,88 14.567,89 5.591,90 44.578,91 7.325,92 0.178,93 0.886,94 14.648,95 5.382,96 46.539,97 6.794,98 0.183,99 0.764,100 13.569,101 5.14,102 54.978,103 6.705,104 22,105 35,106 0.269,107 0.636,108 0.732,109 0.837,110 0.86,111 0.879,112 3.189,113 0.847,114 -3.89,115 -3.85,116 -3.65,119 48.6,120 1,142 8,143 4,144 1,146 1,147 1,158 2,163 1,164 1,165 1,172 11,175 5,178 2,180 4,183 16,185 2,188 2,196 14,199 2,200 6,202 2,203 2,204 1,205 3,207 1,208 10,210 1,213 4,218 4,221 6,223 2,225 6,227 1,228 2,230 5,233 6,235 3,238 5,243 4,246 5,248 2,249 1,250 5,255 4,258 4,260 2,264 3,269 2,272 3,274 1,276 741,277 15.455,278 15.455,279 15.455,280 15.455,281 15.455,282 13.176,283 11.616,284 9.086,285 15.557,286 12.297,287 12.297,288 12.297,289 12.297,290 12.297,291 8.785,292 15.684,293 4.233,294 12.483,295 3.685,296 1.608,297 1.068,298 0.473,299 0.345,300 0.237,301 3.869,304 1,305 1,306 1,307 416,308 2.915,312 181.929,316 93.884,319 1.236,320 22.168,321 1,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 49,332 197,333 4.56,334 4.083,335 6.689,336 4.14,337 3.159,338 4.399,339 2.035,340 10.818,341 3.102,342 4.345,343 3.534,344 6.169,345 3.857,346 2.863,347 4.142,348 1.907,349 9.147,350 2.844,351 3.779,352 3.112,353 5.627,354 3.421,355 2.448,356 3.164,357 0.149,358 7.379,359 2.378,360 3.693,361 2.86,362 5.386,363 3.261,364 2.277,365 2.996,367 6.929,368 2.239,369 3.387,370 2.377,371 4.548,372 2.849,373 1.844,374 2.49,376 4.568,377 1.835,378 3.118,379 2.261,380 4.442,381 2.618,382 1.618,383 2.427,385 4.49,386 1.618,387 3.116,388 1.618,389 4.372,390 2.529,391 1.549,392 2.244,394 4.117,395 1.516,396 2.981,397 1.589,398 3.624,399 2.324,400 1.336,401 1.956,403 2.973,404 1.317,405 2.746,406 1.357,407 3.442,408 1.804,409 0.843,410 1.361,412 1.787,413 0.807,414 2.159,415 0.869,416 3.151,417 1.614,418 0.629,419 0.962,421 1.427,422 0.619,423 1.488,424 0.657,425 2.732,426 0.838,427 -0.109,428 -0.16,430 -0.205,431 -0.102,432 1.093,433 0.483,434 2.531,435 0.646,436 -0.332,437 -0.453,439 -0.869,440 -0.323,441 0.944,442 -0.042,443 2.439,444 0.562,445 -0.39,446 -0.515,448 -0.897,449 -0.37,450 0.882,451 -0.289,452 2.179,453 0.382,454 -0.618,455 -0.927,457 -1.595,458 -0.618,459 0.722,460 -0.57,461 2,462 0.209,463 -0.765,464 -1.089,466 -2,467 -0.739,468 10.933,469 0.475,470 0.592,471 0.026,472 35.75,473 1.554,474 21.5,475 0.935,476 14.25,477 0.62,478 13.78,479 0.599,480 22.667,481 0.613,482 25.713,483 1.118,484 7.095,485 0.308,486 3.985,487 0.173,488 0.149,490 0.366,496 0.794,497 0.984,498 0.734,499 0.818,500 0.635,501 0.766,502 0.473,503 1.017,504 0.697,505 0.954,506 0.457,507 0.881,508 1.274,509 1.054,510 1.044,511 0.931,512 1.039,513 0.953,514 0.468,515 0.994,516 0.849,517 1.04,518 0.503,519 1.011,520 1.177,521 1.065,522 1.093,523 0.976,524 1.123,525 0.999,526 0.867,527 1.061,528 0.969,529 1.029,530 0.934,531 1.01,532 1.341,533 1.021,534 1.105,535 1,536 1.356,537 1.011,538 1.119,539 1.119,540 1.107,541 1.151,542 1.183,543 1.141,544 5,545 0.037,546 2.444,547 1.688,548 1.56,549 0.875,550 0.609,551 0.392,552 0.177,553 0.128,554 5033,555 15166,556 2.041,557 37.8,559 8,562 3,563 3,567 1.663,568 1.89,569 3.084,570 0.989,571 1,572 1,574 1,577 56.388,578 1.524,579 3.601,580 4.142,581 4.736,582 4.865,583 4.973,584 2.496,585 4.263,586 4.494,587 3.216,588 813.704,589 7.77,590 9044.8,591 1,592 1,594 1,595 192.75,596 1.478,597 4.443,598 0.2,599 0.007,600 0.07,601 0.046,602 0.045,603 0.028,604 0.021,605 0.016,606 0.009,607 0.013,608 0.454,609 0.5,610 1,611 1.139,612 105.725,613 -0.115,614 0.077,615 0.001,616 0.098,617 -0.084,618 0.078,619 0.21,620 -0.019,621 0.109,622 0.002,623 0.08,624 0.029,625 -0.246,626 -0.037,627 -0.159,628 0.005,629 -0.172,630 -0.054,631 0.302,633 0.083,634 -0.078,635 0.214,636 -0.048,637 -0.207,638 -0.029,639 -0.148,640 -0.046,641 -0.16,642 -0.074,643 0.08,644 -0.054,645 -0.01,646 -0.081,647 0.04,648 -0.061,649 -0.196,650 -0.038,651 -0.107,652 -0.039,653 -0.126,654 -0.051,655 0.024,656 -0.189,657 -0.07,658 -0.16,659 0.116,660 -0.137,661 1.911,662 4.245,663 0.696,664 17.376,665 1.004,666 1.116,667 2.66,668 7.074,669 0.71,670 3.258,671 3.584,672 3.85,673 4.143,674 4.382,675 4.466,676 4.595,677 4.691,678 4.691,679 4.615,680 5.211,681 0.687,682 302.36,683 3.258,684 4.796,685 5.645,686 6.532,687 7.403,688 8.296,689 9.176,690 10.071,691 10.956,692 11.852,693 10.8,697 1,700 1,702 1,703 1,708 2,709 8,710 1,714 5,716 17,718 1,727 1,735 37,737 19,738 2,739 25,741 39,742 18,743 15,744 3,745 7,748 3,749 4,754 1,761 1,762 16,763 1,767 1,772 1,776 1,779 1,780 1,783 14,784 5,785 3,786 5,792 4,797 0.667,798 1,809 1,816 3,820 1,829 1,843 2,847 1,851 23,852 1,860 1,866 1,870 1,872 1,874 2.7,877 1,881 12.167,882 7.067,883 5.111,884 2.074,886 3.71,887 1.529,888 1.011,889 3.866,890 10.728,891 3.624,892 4.248,893 4.879,894 5.538,895 6.145,896 6.512,897 6.982,898 7.454,899 7.841,900 8.043,901 0.833,902 37,903 8.423,905 3.573,906 7.949,907 15.689,909 12.632,911 2.449,912 56.333,916 129.482,917 125.3,918 98.753,920 25.145,923 125.3,924 154.627,925 98.753,926 8.825,927 18.011,928 108.707,929 63.237,930 48.09,931 2.328,932 129.482,934 129.482,935 224.053,936 25.145,939 129.482,940 25.145,943 60.652,944 146.615,945 16.786,947 129.482,948 123.898,949 125.3,952 129.482,953 24.063,954 84.635,955 34.612,956 105.887,957 129.482,958 123.898,959 125.3,961 0.577,962 0.335,963 0.193,964 0.105,965 17,966 8,967 0.051,968 2,969 1,970 1.125,971 3.409,972 186.451,973 0.125,974 16,975 104.042,981 14.867,982 5.98,983 2.951,984 2.139,985 123.898,986 15.228,987 4.387,991 2.155,993 50.908,994 378.68,995 36.5,1000 11.245,1004 -0.244,1007 37.153,1008 41.279,1009 0.293,1010 0.691,1011 0.795,1012 0.909,1013 0.934,1014 0.955,1015 4.854,1016 1.336,1017 5.638,1018 4.117,1019 4.263,1020 4.934,1021 2.73,1022 6.46,1023 4.231,1024 6.097,1025 0.843,1026 7.203,1027 2.973,1028 3.892,1029 4.796,1030 1.593,1031 7.38,1032 3.853,1033 7.418,1034 0.629,1035 8.866,1036 1.787,1037 5.861,1038 7.212,1039 3.961,1040 10.484,1041 5.797,1042 8.773,1043 -0.109,1044 10.588,1045 1.427,1046 6.275,1047 7.879,1048 3.032,1049 12.221,1050 6.201,1051 10.156,1052 -0.332,1053 12.348,1054 -0.205,1055 7.742,1056 9.776,1057 5.291,1058 14.849,1059 7.648,1060 11.561,1061 -0.39,1062 14.133,1063 -0.869,1064 8.531,1065 10.845,1066 4.409,1067 16.936,1068 8.423,1069 12.983,1070 -0.618,1071 15.938,1072 -0.897,1073 9.791,1074 12.51,1075 6.657,1076 19.395,1077 9.667,1078 3.159,1079 -0.765,1080 17.758,1081 -1.595,1082 10.76,1083 13.781,1084 5.75,1085 21.636,1086 10.62,1087 2.863,1088 10.818,1089 19.589,1090 -2,1091 11.936,1092 15.338,1093 8.039,1094 24.034,1095 11.78,1096 2.448,1097 9.147,1098 21.429,1099 4.399,1100 12.991,1101 16.708,1102 7.068,1103 26.344,1104 12.818,1105 2.277,1106 7.379,1107 23.277,1108 4.142,1109 14.135,1110 18.215,1111 9.429,1112 28.722,1113 13.946,1114 1.844,1115 6.929,1116 25.132,1117 3.164,1118 15.23,1119 19.634,1120 8.374,1121 31.066,1122 15.024,1123 1.618,1124 4.568,1125 26.992,1126 2.996,1127 16.365,1128 21.118,1129 10.824,1130 33.438,1131 16.141,1132 1.549,1133 4.49,1134 28.856,1135 2.49,1136 17.48,1137 22.561,1138 9.674,1139 35.797,1140 17.239,1141 4996,1142 8764,1143 16.414,1144 26.284,1145 38.622,1146 40.932,1147 38.9,1148 37.155,1149 37.129,1150 52.283,1151 8.181,1152 107.271,1153 36.551,1154 5.298,1155 6.083,1156 6.377,1157 5.185,1158 5.159,1159 7.399,1160 4.069,1161 17.994,1162 5.102,1163 11.921,1164 1.545,1165 1.637,1166 1.556,1167 1.486,1168 1.485,1169 2.091,1170 0.327,1171 4.291,1172 1.462,1173 4.106,1174 4.128,1175 4.067,1176 4.064,1177 7.43,1178 4.062,1179 3.892,1180 3.928,1181 3.859,1182 3.79,1183 6.82,1184 3.804,1185 3.553,1186 3.597,1187 3.475,1188 3.383,1189 5.111,1190 3.386,1191 3.427,1192 3.471,1193 3.336,1194 3.292,1195 4.901,1196 3.308,1197 3.147,1198 3.208,1199 3.105,1200 2.98,1201 4.644,1202 2.993,1203 3.055,1204 3.12,1205 2.943,1206 2.951,1207 4.275,1208 2.95,1209 2.947,1210 3.058,1211 2.809,1212 2.689,1213 3.907,1214 2.703,1215 2.73,1216 2.797,1217 2.621,1218 2.532,1219 3.825,1220 2.554,1221 0.182,1222 0.163,1223 0.268,1224 0.166,1225 0.126,1226 4.56,1227 0.176,1228 4.083,1229 0.081,1230 6.689,1231 0.433,1232 4.14,1233 0.124,1234 3.159,1235 4.399,1236 2.035,1237 10.818,1238 3.102,1239 2.086,1240 2.068,1241 2.163,1242 2.142,1243 1.298,1244 2.149,1245 1.844,1246 1.815,1247 1.908,1248 1.975,1249 0.976,1250 1.959,1251 1.486,1252 1.443,1253 1.709,1254 1.717,1255 0.728,1256 1.709,1257 1.42,1258 1.375,1259 1.61,1260 1.556,1261 0.659,1262 1.577,1263 1.085,1264 1.037,1265 1.292,1266 1.289,1267 0.366,1268 1.275,1269 1.056,1270 1.005,1271 1.204,1272 1.254,1273 0.172,1274 1.254,1275 0.856,1276 0.762,1277 1.131,1278 1.183,1279 0.026,1280 1.195,1281 0.699,1282 0.627,1283 0.942,1284 0.924,1286 0.911,1287 3.932,1289 5.252,1291 6.779,1293 8.405,1295 10.084,1297 1.395,1301 5.945,1305 2.605,1312 9.389,1313 2.091,1314 25.434,1315 56.388,1316 133.24,1317 153.24,1318 175.24,1319 179.995,1320 183.995,1321 38.471,1322 7.018,1323 91.8,1324 91.8,1325 18,1326 12.379,1327 4.322,1328 3.644,1329 36.579,1330 69,1331 69,1332 0.258,1333 160.224,1334 273.93,1335 382.708,1336 9295,1338 16.397,1339 0.713,1340 0.543,1341 16.397,1342 12.499,1343 11.08,1344 0.443,1345 0.282,1346 6.994,1347 10.794,1348 6.786,1349 5.669,1350 11.08,1351 7.056,1352 10.058,1353 0.287,1354 0.148,1355 10.058,1356 5.175,1357 8.053,1358 0.175,1359 0.076,1360 8.053,1361 3.489,1362 7.183,1363 0.116,1364 0.04,1365 7.183,1366 2.472,1367 5.65,1368 0.072,1369 0.021,1370 5.65,1371 1.671,1372 0.39,1373 68.514,1374 0.247,1375 22.132,1376 0.751,1377 120,1378 350.671,1379 128.098,1380 354.212,1381 482.07,1382 328,1383 141,1384 354.96,1385 147.991,1386 366.254,1387 528.17,1388 344,1389 5.1}
{0 CHEMBL2002322,1 1.984,2 8.231,3 4.238,4 17.959,5 84.727,6 11.48,7 0.571,8 3.702,9 3.774,10 3.621,11 3.307,12 5.112,13 3.34,14 4.255,15 4.344,16 4.202,17 3.711,18 6.452,19 3.745,20 4.337,21 4.428,22 4.14,23 3.797,24 5.94,25 3.815,26 4.516,27 4.673,28 4.058,29 3.754,30 6.072,31 3.794,32 4.386,33 4.52,34 4.117,35 3.667,36 5.983,37 3.745,38 4.547,39 4.684,40 4.307,41 3.563,42 6.885,43 3.693,44 4.321,45 4.491,46 3.998,47 3.355,48 6.195,49 3.465,50 4.109,51 4.244,52 4.017,53 2.953,54 5.992,55 3.178,56 0.457,57 1.026,58 0.99,59 3.294,60 97.886,61 2.158,62 1.435,63 2.22,64 4.577,65 6.046,66 272.107,67 3.856,68 0.964,69 1.754,70 6.355,71 6.948,72 172.65,73 5.074,74 1.635,75 1.86,76 14.43,77 8.324,78 306.903,79 6.064,80 1.171,81 1.942,82 8.057,83 6.932,84 221.261,85 5.567,86 2.431,87 2.868,88 13.225,89 8.063,90 450.838,91 4.823,92 1.336,93 1.659,94 10.054,95 6.019,96 214.282,97 4.267,98 1.082,99 1.647,100 15.249,101 6.555,102 230.227,103 3.133,104 74,105 44,106 0.361,107 0.664,108 0.747,109 0.79,110 0.79,111 0.79,112 3.305,113 0.831,114 -4.79,115 -4.7,116 -4.41,119 47.1,132 2,142 4,143 5,145 2,152 2,158 1,163 1,164 1,165 1,172 9,175 1,177 1,178 1,183 12,188 5,193 2,196 9,198 2,200 4,205 1,208 6,210 1,213 3,218 1,221 5,223 1,224 1,225 2,227 1,228 1,230 1,233 3,235 1,238 2,243 2,246 1,248 2,250 2,255 2,260 2,264 1,269 1,274 1,276 962,277 16.115,278 16.115,279 16.115,280 16.115,281 16.115,282 14.285,283 11.734,284 8.913,285 16.819,286 13.826,287 13.826,288 13.826,289 13.826,290 13.826,291 10.861,292 12.129,293 4.244,294 15.159,295 3.103,296 1.442,297 0.986,298 0.75,299 0.75,300 0.75,301 3.972,305 1,306 1,307 441,308 4.301,311 52.746,312 147.569,315 100.196,319 1.325,320 73.058,323 1,324 1,325 1,326 0.4,327 0.5,328 1,329 1,330 0.84,331 63,332 214,333 4.663,334 4.482,335 7.188,336 4.305,337 3.41,338 4.58,339 3.825,340 12.002,341 3.156,342 4.521,343 4.439,344 7.052,345 4.111,346 3.23,347 4.05,348 3.825,349 11.446,350 2.933,351 4.292,352 3.519,353 6.722,354 4.059,355 3.166,356 3.425,357 0.98,358 10.957,359 2.676,360 4.01,361 3.117,362 6.004,363 3.635,364 2.679,365 3.417,367 8.563,368 2.542,369 3.683,370 2.588,371 5.602,372 3.262,373 2.297,374 3.026,376 7.15,377 2.184,378 3.197,379 2.108,380 4.915,381 2.731,382 1.822,383 2.42,385 5.56,386 1.604,387 2.997,388 1.721,389 4.48,390 2.447,391 1.494,392 2.214,394 4.139,395 1.417,396 2.752,397 1.634,398 4.377,399 2.247,400 1.304,401 1.85,403 3.92,404 1.209,405 2.65,406 1.404,407 4.007,408 2.211,409 1.285,410 1.698,412 3.4,413 1.157,414 2.543,415 1.294,416 3.668,417 1.958,418 1,419 1.466,421 2.458,422 0.932,423 1.957,424 0.51,425 3.268,426 1.371,427 0.472,428 0.697,430 1.307,431 0.415,432 1.023,433 0.51,434 2.861,435 0.553,436 -0.404,437 -0.556,439 -1.095,440 -0.383,441 0.756,442 0.51,443 2.816,444 0.333,445 -0.644,446 -0.852,448 -2,449 -0.625,450 0.657,451 0.51,452 2.601,453 0.166,454 -0.804,455 -1,457 -2.059,458 -0.7,459 0.5,460 0.474,461 2.29,462 0.05,463 -1,464 -1,466 -2.395,467 -0.7,468 11.681,469 0.449,470 1.208,471 0.046,472 32,473 1.231,474 15.5,475 0.596,476 16.5,477 0.635,478 21.414,479 0.824,480 29.119,481 0.856,482 29.712,483 1.143,484 6.584,485 0.253,486 5.381,487 0.207,488 0.21,489 0.086,490 0.342,493 6,496 0.608,497 0.768,498 0.598,499 0.758,500 0.677,501 0.701,502 0.385,503 0.523,504 0.621,505 0.679,506 0.375,507 0.723,508 0.645,509 0.904,510 0.993,511 1.279,512 0.618,513 1.247,514 1.114,515 0.955,516 1.223,517 0.931,518 1.097,519 1.068,520 0.854,521 1.111,522 0.746,523 1.09,524 0.844,525 1.042,526 0.903,527 0.905,528 1.048,529 0.978,530 0.884,531 1.049,532 1.194,533 1.039,534 1.015,535 0.88,536 1.204,537 0.935,538 1.653,539 1.788,540 1.318,541 1.871,542 1.736,543 1.205,544 9,546 4,547 2.194,548 1.947,549 1.899,550 0.887,551 0.566,552 0.512,553 0.271,554 6375,555 34963,556 1.931,557 23.5,559 4,561 2,562 2,567 1.699,568 1.714,569 2.999,570 0.403,572 1,577 67.464,578 1.984,579 3.646,580 4.102,581 4.337,582 4.337,583 4.337,584 2.394,585 3.637,586 4.675,587 3.206,588 1041.94,589 8.144,590 12599.3,592 1,594 1,595 172.974,596 1.854,597 4.557,598 0.321,600 0.091,601 0.051,602 0.047,603 0.044,604 0.02,605 0.017,606 0.02,607 0.023,608 0.635,609 0.5,610 1,611 1.063,612 123.786,613 -0.042,614 0.029,615 -0.017,616 0.113,617 -0.108,618 0.104,619 0.457,620 0.469,621 0.145,622 0.296,623 0.461,624 0.106,625 -0.016,626 -0.136,627 -0.111,628 -0.28,629 0.014,630 -0.284,631 -0.245,632 -0.072,633 -0.261,634 0.014,635 -0.241,636 -0.012,637 -0.082,638 -0.284,639 0.106,640 -0.204,641 -0.081,642 -0.037,643 0.306,644 0.266,645 -0.068,646 0.013,647 0.318,648 -0.158,649 -0.161,650 -0.059,651 0.018,652 0.057,653 -0.185,654 0.068,655 -0.409,656 -0.626,657 0.181,658 -0.578,659 -0.479,660 -0.155,661 6.204,662 5.034,663 0.577,664 19,665 1.088,666 1.166,667 3.557,668 12.653,669 0.715,670 3.367,671 3.807,672 4.007,673 4.263,674 4.585,675 4.754,676 4.86,677 4.934,678 4.949,679 5.043,680 5.348,681 0.747,682 390.33,683 3.367,684 4.977,685 5.832,686 6.758,687 7.646,688 8.569,689 9.47,690 10.391,691 11.296,692 12.217,693 5.9,700 1,703 1,708 2,709 6,710 1,713 1,714 5,716 16,722 1,735 34,737 17,738 1,739 28,741 36,742 16,743 13,744 3,745 3,746 1,748 3,749 4,754 2,759 2,762 14,763 2,767 1,772 1,776 1,780 1,781 6,783 8,784 9,785 2,786 10,787 1,792 2,797 0.667,798 1,809 1,815 1,816 2,819 1,843 2,845 1,849 6,851 26,852 1,865 2,869 1,873 6,874 2.9,877 1,881 15.167,882 6.224,883 5.278,884 1.764,886 3.334,887 1.457,888 1.024,889 4.38,890 10.634,891 3.638,892 4.327,893 4.937,894 5.583,895 6.205,896 6.642,897 7.102,898 7.512,899 7.823,900 8.214,901 1,902 43,903 11.318,905 6.604,906 9.026,907 16.543,909 13.801,911 3.526,912 91.667,916 70.627,917 124.921,918 49.683,920 25.145,921 89.761,922 31.278,923 93.643,924 95.772,925 139.443,927 32.897,928 37.905,929 70.177,930 123.171,931 2.104,932 78.362,933 15.519,934 70.627,935 143.326,936 114.906,937 31.278,939 70.627,940 114.906,943 66.511,944 60.029,945 16.786,946 31.278,947 160.387,948 74.828,949 124.921,952 86.146,953 53.402,954 56,956 164.588,957 70.627,958 164.588,959 124.921,961 0.621,962 0.332,963 0.158,964 0.102,965 23,966 12,967 0.056,968 2,969 1,970 1.133,971 3.452,972 229.983,973 0.133,974 15,975 100.702,977 1,981 18.504,982 6.155,983 3.652,984 0.716,985 164.588,986 5.122,987 3.841,990 0.952,991 -2.992,993 32.897,994 360.136,995 37,1000 11.304,1004 -0.753,1007 36.985,1008 39.655,1009 0.39,1010 0.717,1011 0.806,1012 0.853,1013 0.853,1014 0.853,1015 4.942,1016 1.304,1017 5.943,1018 4.139,1019 4.489,1020 5.014,1021 3.752,1022 6.872,1023 4.323,1024 6.238,1025 1.285,1026 7.599,1027 3.92,1028 4.575,1029 5.13,1030 4.586,1031 8.244,1032 4.214,1033 7.613,1034 1,1035 9.367,1036 3.4,1037 6.301,1038 7.324,1039 6.115,1040 11.225,1041 5.96,1042 9.02,1043 0.472,1044 11.195,1045 2.458,1046 7.083,1047 8.159,1048 7.382,1049 13.291,1050 6.547,1051 10.452,1052 -0.404,1053 13.06,1054 1.307,1055 8.439,1056 9.939,1057 8.751,1058 15.907,1059 7.892,1060 11.903,1061 -0.644,1062 14.948,1063 -1.095,1064 9.473,1065 11.108,1066 10.082,1067 18.214,1068 8.768,1069 13.367,1070 -0.804,1071 16.852,1072 -2,1073 10.715,1074 12.719,1075 11.427,1076 20.719,1077 9.964,1078 3.41,1079 -1,1080 18.767,1081 -2.059,1082 11.845,1083 14.056,1084 12.767,1085 23.116,1086 10.968,1087 3.23,1088 12.002,1089 20.691,1090 -2.395,1091 13.051,1092 15.597,1093 14.11,1094 25.586,1095 12.108,1096 3.166,1097 11.446,1098 22.62,1099 4.58,1100 14.219,1101 17.019,1102 15.451,1103 28.017,1104 13.172,1105 2.679,1106 10.957,1107 24.555,1108 4.05,1109 15.415,1110 18.533,1111 16.793,1112 30.477,1113 14.294,1114 2.297,1115 8.563,1116 26.494,1117 3.425,1118 16.6,1119 19.998,1120 18.134,1121 32.924,1122 15.387,1123 1.822,1124 7.15,1125 28.436,1126 3.417,1127 17.796,1128 21.505,1129 19.476,1130 35.382,1131 16.506,1132 1.494,1133 5.56,1134 30.381,1135 3.026,1136 18.988,1137 22.991,1138 20.818,1139 37.837,1140 17.615,1141 6474,1142 15283,1143 17.107,1144 24.307,1145 45.458,1146 43.479,1147 45.423,1148 44.641,1149 44.319,1150 57.689,1151 17.261,1152 141.805,1153 40.448,1154 5.362,1155 6.482,1156 6.705,1157 5.414,1158 5.41,1159 7.58,1160 5.335,1161 19.343,1162 5.156,1163 18.031,1164 1.623,1165 1.553,1166 1.622,1167 1.594,1168 1.583,1169 2.06,1170 0.616,1171 5.064,1172 1.445,1173 4.115,1174 4.125,1175 4.34,1176 4.116,1177 8.518,1178 4.078,1179 3.903,1180 3.919,1181 3.943,1182 3.851,1183 8.509,1184 3.837,1185 3.489,1186 3.526,1187 3.511,1188 3.32,1189 7.999,1190 3.328,1191 3.431,1192 3.47,1193 3.475,1194 3.113,1195 7.999,1196 3.179,1197 3.189,1198 3.23,1199 3.231,1200 2.98,1201 7.999,1202 2.996,1203 3.047,1204 3.122,1205 3.076,1206 2.769,1207 7.999,1208 2.805,1209 2.818,1210 2.863,1211 2.825,1212 2.608,1213 7.437,1214 2.621,1215 2.53,1216 2.603,1217 2.485,1218 2.317,1219 4.974,1220 2.345,1221 0.167,1222 0.16,1223 0.257,1224 0.154,1225 0.122,1226 4.663,1227 0.164,1228 4.482,1229 0.137,1230 7.188,1231 0.429,1232 4.305,1233 0.113,1234 3.41,1235 4.58,1236 3.825,1237 12.002,1238 3.156,1239 1.997,1240 1.982,1241 2.052,1242 2.07,1243 1.226,1244 2.064,1245 1.761,1246 1.742,1247 1.821,1248 1.869,1249 0.972,1250 1.856,1251 1.535,1252 1.538,1253 1.538,1254 1.696,1255 0.685,1256 1.68,1257 1.179,1258 1.151,1259 1.224,1260 1.532,1261 0.308,1262 1.414,1263 1.045,1264 1.018,1265 1.194,1266 1.299,1267 0.288,1268 1.261,1269 0.913,1270 0.842,1271 1.143,1272 1.208,1273 0.024,1274 1.185,1275 0.771,1276 0.727,1277 0.933,1278 0.965,1280 0.988,1281 0.514,1282 0.453,1283 0.643,1284 0.829,1286 0.83,1287 4.043,1289 5.451,1290 2.398,1291 7.026,1292 4.727,1293 8.674,1294 6.862,1295 10.364,1299 78.201,1301 5.182,1310 -9.908,1314 25.405,1315 67.464,1316 123.954,1317 139.464,1318 147.464,1319 147.464,1320 147.464,1321 87.928,1322 7.299,1323 55.98,1324 84.22,1325 17,1326 12.728,1327 4.17,1328 3.322,1329 43.922,1330 82,1331 82,1332 0.267,1333 154.553,1334 280.18,1335 368.87,1336 12617,1337 17.6,1338 19.276,1339 0.741,1340 0.515,1341 14.629,1342 13.389,1343 11.964,1344 0.427,1345 0.277,1346 6.817,1347 10.742,1348 6.713,1349 5.43,1350 9.95,1351 7.755,1352 13.087,1353 0.297,1354 0.147,1355 9.814,1356 6.452,1357 9.19,1358 0.17,1359 0.087,1360 8.087,1361 4.672,1362 7.144,1363 0.102,1364 0.048,1365 7.205,1366 3.329,1367 6.403,1368 0.066,1369 0.024,1370 5.746,1371 2.35,1372 0.401,1373 81.735,1374 0.242,1375 24.244,1376 0.791,1377 144,1378 842.22,1379 208.286,1380 670.973,1381 842.65,1382 614,1383 170,1384 547.337,1385 219.607,1386 533.69,1387 822.01,1388 498,1389 5.1}
{0 CHEMBL2002323,1 1.611,2 6.556,3 2.614,4 6.835,5 69.309,6 8.354,7 0.8,8 3.509,9 3.636,10 3.174,11 3.062,12 4.761,13 3.07,14 3.967,15 4.126,16 3.553,17 3.441,18 5.197,19 3.436,20 4.149,21 4.325,22 3.558,23 3.525,24 5.421,25 3.501,26 4.214,27 4.44,28 3.371,29 3.439,30 5.392,31 3.378,32 4.031,33 4.259,34 3.235,35 3.252,36 5.238,37 3.196,38 3.933,39 4.154,40 3.092,41 3.105,42 5.17,43 3.059,44 3.823,45 4.097,46 2.961,47 2.843,48 5.208,49 2.794,50 3.421,51 3.699,52 2.263,53 2.411,54 4.54,55 2.309,56 0.076,57 0.542,58 4.714,59 2.297,60 8.593,61 2.717,62 0.164,63 0.837,64 8.573,65 4.016,66 12.072,67 4.934,68 0.197,69 0.989,70 10.959,71 4.682,72 20.316,73 5.572,74 0.262,75 0.967,76 13.957,77 5.193,78 33.181,79 6.48,80 0.263,81 0.827,82 11.966,83 4.501,84 27.935,85 5.698,86 0.236,87 0.758,88 10.765,89 3.96,90 34.839,91 4.639,92 0.353,93 0.634,94 10.845,95 2.92,96 42.483,97 4.299,98 0.157,99 0.361,100 7.285,101 2.135,102 22.77,103 2.909,104 10,105 29,106 0.305,107 0.672,108 0.799,109 0.875,110 0.875,111 0.875,112 2.962,113 0.828,114 -4.88,115 -4.78,116 -4.49,119 44.8,120 1,142 5,143 3,144 1,151 1,161 1,162 1,163 1,164 1,165 1,166 1,172 8,174 2,175 3,177 2,178 2,183 9,188 4,190 1,191 1,196 8,200 4,205 2,208 5,210 2,213 4,218 2,221 4,223 2,225 4,230 1,233 2,235 1,238 4,243 2,248 2,250 4,255 2,260 2,276 332,277 12.016,278 12.016,279 12.016,280 12.016,281 12.016,282 10.068,283 7.215,284 6.879,285 12.271,286 9.843,287 9.843,288 9.843,289 9.843,290 9.843,291 6.974,292 4.633,293 3.258,294 10.291,295 3.247,296 1.306,297 0.633,298 0.233,299 0.233,300 0.233,301 3.636,305 1,306 1,307 255,308 1.871,311 36.19,312 89.703,315 62.138,319 1.049,320 18.303,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 39.5,332 118,333 4.571,334 3.241,335 6.572,336 4.086,337 3.132,338 4.516,340 10.405,341 3.009,342 4.307,343 3.042,344 6.375,345 3.855,346 2.906,347 3.989,349 9.673,350 2.732,351 3.626,352 2.422,353 5.137,354 3.229,355 2.235,356 3.058,358 6.183,359 2.219,360 3.348,361 2.304,362 4.949,363 2.907,364 1.96,365 2.676,367 5.446,368 1.842,369 3.249,370 1.925,371 4.869,372 2.767,373 1.828,374 2.55,376 5.324,377 1.708,378 2.759,379 1.314,380 4.102,381 2.239,382 1.285,383 1.879,385 3.45,386 1.224,387 2.577,388 1.112,389 3.898,390 2.068,391 1.093,392 1.615,394 2.899,395 1.063,396 2.118,397 0.749,398 3.226,399 1.636,400 0.663,401 0.95,403 1.563,404 0.643,405 1.395,406 0.625,407 2.756,408 1.046,409 0.121,410 0.147,412 0.266,413 0.109,414 0.958,415 -0.267,416 2.368,417 0.563,418 -0.4,419 -0.513,421 -0.972,422 -0.382,423 0.656,424 -0.415,425 2.265,426 0.209,427 -0.758,428 -0.962,430 -2.065,431 -0.728,432 0.597,433 -0.725,434 2,435 0.101,436 -0.873,437 -1.196,439 -2.468,440 -0.84,441 0.218,442 -0.882,443 2,444 -0.074,445 -1,446 -1.325,448 -2.738,449 -0.911,450 0.154,451 -1.122,452 1.639,453 -0.261,454 -1.19,455 -1.655,457 -3.166,458 -1.111,459 -0.244,460 -1.326,461 1.326,462 -0.62,463 -1.551,464 -2.057,466 -3.9,467 -1.473,468 8.386,469 0.466,470 0.524,471 0.029,472 26.25,473 1.458,474 14.5,475 0.806,476 11.75,477 0.653,478 10.574,479 0.587,480 18.614,481 0.642,482 16.913,483 0.94,484 5.351,485 0.297,486 3.297,487 0.183,488 0.141,490 0.405,494 1,496 0.647,497 0.972,498 0.672,499 0.897,500 0.654,501 0.809,502 0.531,503 0.857,504 0.617,505 0.892,506 0.521,507 0.812,508 0.998,509 1.131,510 0.995,511 1.111,512 0.911,513 1.067,514 1.137,515 1.094,516 1.11,517 1.092,518 1.122,519 1.095,520 1.065,521 1.075,522 0.988,523 1.067,524 1.201,525 1.035,526 1.579,527 1.379,528 1.245,529 1.216,530 1.747,531 1.178,532 0.756,533 0.736,534 0.883,535 0.815,536 0.685,537 0.859,538 1.228,539 1.097,540 1.259,541 1.107,542 1.207,543 1.167,544 4,546 2.667,547 1.417,548 0.982,549 0.538,550 0.365,551 0.213,552 0.061,554 2645,555 8140,556 2.086,557 37.9,558 3,559 5,560 1,562 2,567 1.59,568 1.929,569 2.787,570 0.429,572 1,573 1,574 1,577 46.722,578 1.611,579 3.552,580 4.225,581 4.625,582 4.625,583 4.625,584 2.171,585 3.948,586 4.147,587 2.889,588 442.021,589 7.05,590 4089,591 1,592 1,594 1,595 140.881,596 1.481,597 4.09,598 0.2,600 0.092,601 0.051,602 0.045,603 0.028,604 0.023,605 0.016,606 0.01,608 0.465,609 0.67,610 1,611 0.662,612 74.697,613 -0.021,614 0.005,615 0.028,616 0.038,617 -0.103,618 0.044,619 0.158,620 0.096,621 0.169,622 0.067,623 0.073,624 0.097,625 -0.104,626 -0.112,627 -0.148,628 -0.146,629 -0.032,630 -0.155,631 -0.146,632 -0.117,633 -0.136,634 -0.104,635 -0.103,636 -0.111,637 0.024,638 -0.053,639 0.019,640 -0.05,641 -0.036,642 -0.027,643 -0.231,644 -0.225,645 -0.22,646 -0.209,647 -0.267,648 -0.213,649 0.351,650 0.181,651 0.226,652 0.104,653 0.384,654 0.123,655 -0.188,656 -0.219,657 -0.154,658 -0.166,659 -0.135,660 -0.155,661 1.924,662 5.81,663 0.833,664 9.889,665 1.016,666 1.138,667 3.645,668 13.289,669 0.69,670 3.045,671 3.401,672 3.689,673 3.951,674 4.159,675 4.159,676 4.29,677 4.382,678 4.277,679 4.22,680 4.287,681 0.675,682 242.28,683 3.045,684 4.595,685 5.46,686 6.351,687 7.233,688 8.126,689 9.014,690 9.907,691 10.798,692 11.691,693 13.8,697 1,701 1,703 2,708 1,709 6,710 2,714 5,716 16,727 1,734 1,735 29,737 16,738 1,739 20,741 31,742 13,743 12,744 3,745 3,748 3,749 4,754 1,762 12,763 1,780 1,781 1,783 11,784 4,785 2,786 5,792 4,797 0.667,809 1,815 1,816 2,819 1,843 2,847 1,849 1,851 18,852 1,871 1,873 1,881 9.333,882 5.576,883 3.861,884 1.606,886 3.185,887 1.486,888 1.042,889 2.44,890 9.739,891 3.367,892 4.073,893 4.735,894 5.372,895 5.924,896 6.246,897 6.728,898 7.182,899 7.384,900 7.695,901 1,902 28,903 6.611,905 2.86,906 7.944,907 12.313,909 10.066,911 2.444,912 44,913 0.001,916 105.94,917 87.546,918 67.51,921 14.96,923 87.546,924 105.94,925 82.47,926 8.825,928 89.326,929 35.041,930 21.863,931 26.731,932 94.169,934 105.94,935 155.056,936 14.96,939 120.9,943 13.726,944 108.004,945 33.326,947 120.9,948 67.51,949 87.546,952 105.94,953 22.292,954 66.54,956 81.183,957 105.94,958 82.47,959 87.546,961 0.596,962 0.353,963 0.188,964 0.104,965 16,966 7,967 0.032,968 1,969 1,970 1.133,971 3.001,972 134.578,973 0.133,974 15,975 75.059,981 11.026,982 3.983,983 1.833,984 0.643,985 81.183,986 10.316,987 7.655,991 2.329,993 32.897,994 275.956,995 28,1007 29.454,1008 32.994,1009 0.332,1010 0.731,1011 0.87,1012 0.952,1013 0.952,1014 0.952,1015 4.595,1016 0.663,1017 5.468,1018 2.899,1019 4.078,1020 4.758,1022 6.304,1023 3.992,1024 5.849,1025 0.121,1026 7.048,1027 1.563,1028 3.761,1029 4.691,1031 7.248,1032 3.606,1033 7.185,1034 -0.4,1035 8.726,1036 0.266,1037 5.7,1038 7.089,1040 10.346,1041 5.53,1042 8.558,1043 -0.758,1044 10.459,1045 -0.972,1046 6.176,1047 7.84,1049 12.107,1050 5.929,1051 9.962,1052 -0.873,1053 12.228,1054 -2.065,1055 7.617,1056 9.714,1058 14.72,1059 7.356,1060 11.387,1061 -1,1062 14.021,1063 -2.468,1064 8.45,1065 10.851,1067 16.812,1068 8.117,1069 12.829,1070 -1.19,1071 15.833,1072 -2.738,1073 9.697,1074 12.505,1076 19.247,1077 9.341,1078 3.132,1079 -1.551,1080 17.658,1081 -3.166,1082 10.692,1083 13.83,1085 21.475,1086 10.273,1087 2.906,1088 10.405,1089 19.494,1090 -3.9,1091 11.861,1092 15.389,1094 23.842,1095 11.412,1096 2.235,1097 9.673,1098 21.338,1099 4.516,1100 12.928,1101 16.802,1103 26.126,1104 12.425,1105 1.96,1106 6.183,1107 23.188,1108 3.989,1109 14.068,1110 18.321,1112 28.466,1113 13.529,1114 1.828,1115 5.446,1116 25.043,1117 3.058,1118 15.166,1119 19.777,1121 30.773,1122 14.58,1123 1.285,1124 5.324,1125 26.902,1126 2.676,1127 16.295,1128 21.281,1130 33.103,1131 15.672,1132 1.093,1133 3.45,1134 28.764,1135 2.55,1136 17.409,1137 22.757,1139 35.421,1140 16.741,1141 2600,1142 4664,1143 13.235,1144 20.006,1145 30.709,1146 31.135,1147 31.855,1148 30.473,1149 30.448,1150 42.759,1152 90.418,1153 29.099,1154 5.218,1155 5.241,1156 5.92,1157 5.129,1158 5.132,1159 7.516,1161 17.159,1162 5.009,1163 8.5,1164 1.535,1165 1.557,1166 1.593,1167 1.524,1168 1.522,1169 2.138,1171 4.521,1172 1.455,1173 4.122,1174 4.172,1175 4.096,1176 3.991,1177 8.201,1178 4.006,1179 3.883,1180 3.919,1181 3.84,1182 3.763,1183 5.301,1184 3.779,1185 3.355,1186 3.421,1187 3.277,1188 3.18,1189 4.781,1190 3.201,1191 3.164,1192 3.243,1193 3.031,1194 2.987,1195 4.633,1196 2.983,1197 2.967,1198 3.039,1199 2.86,1200 2.83,1201 4.304,1202 2.826,1203 2.7,1204 2.833,1205 2.555,1206 2.51,1207 3.745,1208 2.507,1209 2.672,1210 2.761,1211 2.465,1212 2.307,1213 3.712,1214 2.327,1215 2.535,1216 2.626,1217 2.322,1218 2.266,1219 3.557,1220 2.261,1221 0.229,1222 0.162,1223 0.329,1224 0.204,1225 0.157,1226 4.571,1227 0.226,1228 3.241,1230 6.572,1231 0.52,1232 4.086,1233 0.15,1234 3.132,1235 4.516,1237 10.405,1238 3.009,1239 1.996,1240 1.971,1241 2.076,1242 2.104,1243 1.212,1244 2.094,1245 1.783,1246 1.744,1247 1.897,1248 1.919,1249 0.998,1250 1.916,1251 1.283,1252 1.199,1253 1.5,1254 1.612,1255 0.572,1256 1.566,1257 1.196,1258 1.129,1259 1.431,1260 1.415,1261 0.304,1262 1.444,1263 0.988,1264 0.937,1265 1.174,1266 1.17,1267 0.263,1268 1.168,1269 0.699,1270 0.607,1271 1.021,1272 1.004,1273 0.003,1274 1.018,1275 0.644,1276 0.554,1277 0.911,1278 0.925,1280 0.936,1281 0.47,1282 0.385,1283 0.738,1284 0.785,1286 0.777,1287 3.714,1289 5.056,1290 2.398,1291 6.594,1292 4.727,1293 8.221,1294 6.804,1295 9.893,1297 1.925,1299 13.81,1301 5.687,1314 19.576,1315 46.722,1316 103.007,1317 122.517,1318 134.127,1319 134.127,1320 134.127,1321 24.752,1322 6.554,1323 56.21,1324 56.21,1325 17,1326 12.218,1327 4.087,1328 3.17,1329 25.642,1330 46,1331 38,1332 0.284,1333 121.174,1334 195.27,1335 287.425,1336 5082,1337 3.4,1338 12.698,1339 0.705,1340 0.542,1341 11.828,1342 9.761,1343 8.648,1344 0.432,1345 0.276,1346 5.431,1347 8.279,1348 5.288,1349 4.409,1350 8.237,1351 5.518,1352 8.111,1353 0.28,1354 0.144,1355 7.584,1356 4.187,1357 6.938,1358 0.178,1359 0.073,1360 6.456,1361 2.862,1362 5.671,1363 0.111,1364 0.038,1365 5.386,1366 1.928,1367 4.719,1368 0.075,1369 0.021,1370 4.266,1371 1.313,1372 0.424,1373 54.488,1374 0.275,1375 17.636,1376 0.843,1377 98,1378 334.359,1379 109.269,1380 305.643,1381 417.96,1382 284,1383 117,1384 318.514,1385 128.652,1386 317.674,1387 463,1388 298,1389 5.1}
{0 CHEMBL2002373,1 1.466,2 7.571,3 2.052,4 4.212,5 82.688,6 7.352,7 0.739,8 3.732,9 3.851,10 3.294,11 3.299,12 4.856,13 3.274,14 4.22,15 4.391,16 3.578,17 3.662,18 5.26,19 3.61,20 4.43,21 4.654,22 3.59,23 3.758,24 5.356,25 3.67,26 4.444,27 4.666,28 3.631,29 3.758,30 5.415,31 3.681,32 4.457,33 4.663,34 3.668,35 3.815,36 5.462,37 3.738,38 4.524,39 4.741,40 3.557,41 3.813,42 5.543,43 3.695,44 4.498,45 4.759,46 3.261,47 3.673,48 5.393,49 3.504,50 4.353,51 4.642,52 2.926,53 3.344,54 5.297,55 3.158,56 0.029,57 0.55,58 7.698,59 3.338,60 8.807,61 4.407,62 0.138,63 0.879,64 13.724,65 5.252,66 16.915,67 7.123,68 0.134,69 1.018,70 18.169,71 6.975,72 21.112,73 9.807,74 0.216,75 1.055,76 18.503,77 6.532,78 23.558,79 9.309,80 0.165,81 1.094,82 18.094,83 6.68,84 19.058,85 9.381,86 0.209,87 1.103,88 19.827,89 7.756,90 29.63,91 10.791,92 0.123,93 1.006,94 20.383,95 8.057,96 26.487,97 11.472,98 0.16,99 0.814,100 18.789,101 6.725,102 34.186,103 9.581,104 5,105 30,106 0.262,107 0.588,108 0.757,109 0.821,110 0.834,111 0.834,112 3.104,113 0.915,114 -3.65,115 -3.62,116 -3.44,119 44.7,121 1,125 2,142 7,143 2,145 2,146 1,152 1,160 1,172 8,174 1,175 5,180 1,183 7,188 7,196 4,200 7,203 1,208 5,212 1,213 3,221 9,224 1,225 2,228 1,230 1,233 7,238 3,243 3,246 4,250 2,255 2,258 1,264 1,267 1,269 2,276 630,277 14.82,278 14.82,279 14.82,280 14.82,281 14.82,282 12.821,283 5.822,284 9.315,285 15.088,286 11.374,287 11.374,288 11.374,289 11.374,290 11.374,291 8.482,292 4.205,293 4.396,294 11.804,295 3.782,296 1.957,297 1.011,298 0.651,299 0.579,300 0.579,301 3.789,304 1,305 1,306 1,307 338,308 2.345,311 56.613,312 125.766,319 1.211,320 11.918,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 44.5,332 159,333 4.587,334 3.255,335 6.906,336 4.195,337 3.232,338 4.31,340 11.61,341 3.118,342 3.93,343 2.561,344 5.867,345 3.532,346 2.545,347 3.489,349 8.082,350 2.513,351 3.656,352 2.31,353 5.242,354 3.197,355 2.244,356 3.162,358 6.383,359 2.134,360 3.145,361 1.849,362 4.531,363 2.744,364 1.772,365 2.378,367 4.414,368 1.72,369 2.925,370 1.636,371 3.919,372 2.456,373 1.503,374 2.102,376 3.278,377 1.431,378 2.634,379 1.479,380 3.526,381 2.326,382 1.385,383 1.675,385 2.784,386 1.297,387 2.5,388 1.141,389 3.436,390 2.008,391 1.056,392 1.5,394 2.358,395 1.001,396 2.5,397 1,398 3.392,399 2,400 1,401 1.5,403 2.136,404 1,405 2.368,406 1,407 3.247,408 1.984,409 1,410 1.348,412 2.136,413 0.983,414 2.285,415 0.793,416 3.247,417 1.729,418 0.793,419 1.18,421 2.038,422 0.741,423 1.36,424 0.536,425 2.641,426 1.16,427 0.25,428 0.272,430 0.419,431 0.225,432 0.869,433 -0.3,434 2.24,435 0.533,436 -0.424,437 -0.507,439 -0.914,440 -0.403,441 0.674,442 -0.747,443 2.16,444 0.206,445 -0.778,446 -1.066,448 -1.721,449 -0.763,450 0.5,451 -0.801,452 2,454 -0.938,455 -1.137,457 -1.884,458 -0.868,459 0.5,460 -1,461 1.555,462 -0.013,463 -1,464 -1.5,466 -2.347,467 -0.946,468 10.033,469 0.478,470 0.274,471 0.013,472 29.5,473 1.405,474 16,475 0.762,476 13.5,477 0.643,478 13.502,479 0.643,480 21.767,481 0.573,482 19.321,483 0.92,484 5.972,485 0.284,486 4.426,487 0.211,488 0.033,490 0.239,496 0.94,497 1.302,498 0.809,499 1.033,500 0.925,501 0.93,502 1.111,503 1.045,504 1.008,505 0.948,506 0.987,507 0.958,508 0.854,509 1.035,510 0.882,511 0.933,512 0.783,513 0.915,514 0.97,515 1.009,516 0.936,517 0.865,518 0.805,519 0.883,520 0.934,521 1.027,522 1.042,523 1,524 0.672,525 1.014,526 0.824,527 1.071,528 1.14,529 1.188,530 0.881,531 1.2,532 0.665,533 1.045,534 1.052,535 1.188,536 0.723,537 1.171,538 1.085,539 0.999,540 1.033,541 1.104,542 1.242,543 1.076,544 2,545 0.012,546 1.778,547 1.25,548 1.007,549 0.511,550 0.203,551 0.135,552 0.098,553 0.041,554 3974,555 10407,556 2.131,557 44.7,559 11,561 3,562 1,565 2,567 1.641,568 2.066,569 2.945,570 -0.338,572 1,574 1,577 55.693,578 1.466,579 3.291,580 4.237,581 4.596,582 4.669,583 4.669,584 2.429,585 4.011,586 4.358,587 3.068,588 644.234,589 7.517,590 6788.02,591 1,592 1,594 1,595 199.421,596 1.049,597 4.355,598 0.087,599 0.012,600 0.059,601 0.042,602 0.032,603 0.016,604 0.008,605 0.007,606 0.008,607 0.008,608 0.28,609 0.67,610 1,611 1.046,612 93.037,613 -0.057,614 -0.189,615 0.042,616 -0.032,617 -0.081,618 0.004,619 -0.123,620 0.057,621 -0.102,622 0.013,623 -0.146,624 -0.035,625 -0.045,626 -0.042,627 0.062,628 0.053,629 -0.045,630 0.066,631 -0.019,632 0.035,633 0.022,634 0.086,635 -0.034,636 0.063,637 -0.086,638 0.049,639 -0.116,640 -0.049,641 -0.026,642 -0.076,643 0.044,644 -0.077,645 -0.202,646 -0.208,647 -0.008,648 -0.231,649 0.019,650 -0.145,651 -0.085,652 -0.184,653 0.028,654 -0.151,655 0.001,656 -0.151,657 0.01,658 -0.123,659 0.038,660 -0.065,661 1.325,662 3.069,663 0.81,664 15.905,665 0.995,666 1.121,667 2.417,668 5.844,669 0.679,670 3.178,671 3.434,672 3.738,673 4.043,674 4.248,675 4.277,676 4.382,677 4.419,678 4.357,679 4.205,680 4.823,681 0.644,682 279.37,683 3.178,684 4.673,685 5.517,686 6.385,687 7.261,688 8.146,689 9.035,690 9.929,691 10.823,692 11.72,693 7.9,701 1,703 2,709 10,710 2,714 4,715 1,716 17,735 38,737 17,738 1,739 23,741 40,742 17,743 14,744 1,745 5,748 3,749 3,754 1,760 1,762 14,763 3,779 1,780 1,783 17,784 3,785 1,786 4,789 1,792 3,797 1,798 1,799 1,809 1,815 1,816 2,841 1,843 3,851 21,857 1,858 3,874 2.6,875 1,881 10.167,882 6.633,883 4.861,884 2.254,886 3,887 1.452,888 0.968,889 4.199,890 9.633,891 3.481,892 4.047,893 4.672,894 5.301,895 5.801,896 6.045,897 6.483,898 6.85,899 7.129,900 7.304,901 1,902 30,903 7.711,905 3.169,906 7.651,907 14.889,909 11.955,911 2.151,912 45.167,913 0.001,916 188.338,917 109.572,918 35.47,920 42.683,923 109.572,924 231.021,925 35.47,927 4.64,928 109.017,929 77.503,930 29.122,931 2.757,932 153.024,934 188.338,935 145.042,936 42.683,939 164.795,940 23.542,941 42.683,943 36.01,944 75.462,945 33.571,947 188.338,948 78.153,949 109.572,952 188.338,953 16.525,954 94.946,956 76.254,957 188.338,958 78.153,959 109.572,961 0.549,962 0.326,963 0.196,964 0.115,965 14,966 5,967 0.125,968 5,970 1,971 3.349,972 161.833,974 17,975 84.239,981 13.686,982 6.443,983 2.919,985 76.254,986 19.522,987 8.656,991 4.197,992 2.091,993 42.683,994 376.063,995 31.5,1007 37.818,1008 42.611,1009 0.279,1010 0.627,1011 0.807,1012 0.876,1013 0.89,1014 0.89,1015 4.656,1016 1,1017 5.451,1018 2.358,1019 4.111,1020 4.732,1022 6.252,1023 4.042,1024 5.83,1025 1,1026 6.986,1027 2.136,1028 3.434,1029 4.227,1031 7.186,1032 3.338,1033 7.108,1034 0.793,1035 8.639,1036 2.136,1037 5.652,1038 6.901,1040 10.374,1041 5.522,1042 8.435,1043 0.25,1044 10.371,1045 2.038,1046 5.969,1047 7.379,1049 12.269,1050 5.803,1051 9.805,1052 -0.424,1053 12.157,1054 0.419,1055 7.548,1056 9.388,1058 14.947,1059 7.354,1060 11.207,1061 -0.778,1062 13.979,1063 -0.914,1064 8.333,1065 10.343,1067 17.19,1068 8.099,1069 12.634,1070 -0.938,1071 15.826,1072 -1.721,1073 9.653,1074 12.054,1076 19.713,1077 9.39,1078 3.232,1079 -1,1080 17.692,1081 -1.884,1082 10.655,1083 13.254,1085 22.086,1086 10.349,1087 2.545,1088 11.61,1089 19.572,1090 -2.347,1091 11.874,1092 14.826,1094 24.561,1095 11.537,1096 2.244,1097 8.082,1098 21.461,1099 4.31,1100 12.971,1101 16.152,1103 26.982,1104 12.593,1105 1.772,1106 6.383,1107 23.359,1108 3.489,1109 14.156,1110 17.66,1112 29.441,1113 13.743,1114 1.503,1115 4.414,1116 25.263,1117 3.162,1118 15.294,1119 19.051,1121 31.881,1122 14.842,1123 1.385,1124 3.278,1125 27.172,1126 2.378,1127 16.467,1128 20.531,1130 34.334,1131 15.979,1132 1.056,1133 2.784,1134 29.085,1135 2.102,1136 17.624,1137 21.955,1139 36.781,1140 17.097,1141 3922,1142 6416,1143 15.89,1144 25.801,1145 33.668,1146 33.912,1147 34.518,1148 33.526,1149 33.558,1150 45.836,1152 91.275,1153 32.325,1154 5.391,1155 5.255,1156 6.767,1157 5.231,1158 5.232,1159 7.31,1161 18.81,1162 5.118,1163 5.901,1164 1.464,1165 1.474,1166 1.501,1167 1.458,1168 1.459,1169 1.993,1171 3.968,1172 1.405,1173 4.071,1174 4.113,1175 4.034,1176 3.963,1177 6.456,1178 3.974,1179 3.83,1180 3.866,1181 3.761,1182 3.753,1183 4.999,1184 3.751,1185 3.711,1186 3.77,1187 3.626,1188 3.544,1189 4.829,1190 3.556,1191 3.481,1192 3.541,1193 3.336,1194 3.294,1195 4.651,1196 3.296,1197 2.95,1198 3.017,1199 2.802,1200 2.76,1201 3.889,1202 2.759,1203 2.854,1204 2.925,1205 2.687,1206 2.735,1207 3.767,1208 2.715,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.674,1214 2.715,1215 2.738,1216 2.811,1217 2.627,1218 2.528,1219 3.674,1220 2.539,1221 0.199,1222 0.142,1223 0.3,1224 0.182,1225 0.141,1226 4.587,1227 0.187,1228 3.255,1230 6.906,1231 0.505,1232 4.195,1233 0.136,1234 3.232,1235 4.31,1237 11.61,1238 3.118,1239 1.935,1240 1.909,1241 2.036,1242 2.028,1243 1.229,1244 2.03,1245 1.83,1246 1.794,1247 1.955,1248 1.947,1249 1.106,1250 1.955,1251 1.648,1252 1.583,1253 1.872,1254 1.857,1255 0.974,1256 1.863,1257 1.253,1258 1.204,1259 1.467,1260 1.543,1261 0.603,1262 1.525,1263 1.235,1264 1.169,1265 1.339,1266 1.401,1267 0.4,1268 1.385,1269 0.886,1270 0.821,1271 1.181,1272 1.063,1273 0.218,1274 1.107,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.729,1282 0.639,1283 1.104,1284 1.062,1285 0.187,1286 1.079,1287 3.85,1289 5.118,1290 2.398,1291 6.603,1292 4.727,1293 8.188,1294 6.843,1295 9.831,1302 9.069,1303 1.63,1314 24.467,1315 55.693,1316 125.041,1317 161.015,1318 174.666,1319 177.421,1320 177.421,1321 25.453,1322 6.633,1323 50.94,1324 50.94,1325 17,1326 12.245,1327 4.17,1328 3.248,1329 31.801,1330 56,1331 72,1332 0.27,1333 152.62,1334 253.55,1335 364.153,1336 5533,1338 14.493,1339 0.69,1340 0.556,1341 14.493,1342 11.684,1343 10.398,1344 0.452,1345 0.305,1346 6.936,1347 10.073,1348 6.803,1349 5.657,1350 10.398,1351 7.017,1352 8.517,1353 0.284,1354 0.16,1355 8.517,1356 4.814,1357 7.287,1358 0.178,1359 0.083,1360 7.287,1361 3.396,1362 6.31,1363 0.113,1364 0.043,1365 6.31,1366 2.413,1367 5.164,1368 0.075,1369 0.024,1370 5.164,1371 1.63,1372 0.403,1373 64.625,1374 0.251,1375 20.446,1376 0.809,1377 106,1378 285.085,1379 113.018,1380 281.245,1381 390.74,1382 266,1383 124,1384 287.262,1385 131.686,1386 294.444,1387 429.14,1388 278,1389 5.1}
{0 CHEMBL2002407,1 1.72,2 8.095,3 1.778,4 3.162,5 78.965,6 8.791,7 0.5,8 3.59,9 3.697,10 3.265,11 3.11,12 5.018,13 3.142,14 3.982,15 4.112,16 3.569,17 3.438,18 5.277,19 3.456,20 4.151,21 4.28,22 3.678,23 3.545,24 5.586,25 3.553,26 4.268,27 4.445,28 3.611,29 3.548,30 5.728,31 3.529,32 4.222,33 4.432,34 3.455,35 3.443,36 5.652,37 3.409,38 4.043,39 4.246,40 3.346,41 3.29,42 5.545,43 3.264,44 3.968,45 4.192,46 3.266,47 3.131,48 5.367,49 3.121,50 3.748,51 3.915,52 3.122,53 2.88,54 5.366,55 2.906,56 0.141,57 0.495,58 4.637,59 2.356,60 19.132,61 2.39,62 0.228,63 0.697,64 8.197,65 3.847,66 29.42,67 4.197,68 0.314,69 0.822,70 9.133,71 4.391,72 36.689,73 4.859,74 0.375,75 0.891,76 12.204,77 4.969,78 58.245,79 5.745,80 0.373,81 0.818,82 13.605,83 4.799,84 70.304,85 5.961,86 0.268,87 0.711,88 10.335,89 3.858,90 65.118,91 4.844,92 0.308,93 0.614,94 11.003,95 3.536,96 51.17,97 4.76,98 0.291,99 0.492,100 7.117,101 2.419,102 48.328,103 2.775,104 35,105 30,106 0.316,107 0.756,108 0.841,109 0.88,110 0.88,111 0.88,112 3.103,113 0.796,114 -1.93,115 -1.98,116 -1.98,119 43.8,124 1,135 1,136 1,142 3,143 2,144 2,147 1,152 1,158 2,163 1,164 1,165 1,168 1,172 5,175 4,177 1,178 1,180 4,183 6,185 1,188 4,191 1,192 1,193 3,195 1,196 5,199 1,200 6,202 1,203 3,205 3,208 2,210 1,212 1,213 5,218 4,221 2,223 1,224 1,225 4,227 1,228 1,230 3,233 1,235 1,237 1,238 4,241 1,243 2,248 2,249 1,250 1,253 1,254 1,255 2,260 1,263 1,266 1,267 2,276 554,277 14.179,278 14.179,279 14.179,280 14.179,281 14.179,282 12.4,283 13.177,284 8.156,285 14.497,286 10.609,287 10.609,288 10.609,289 10.609,290 10.609,291 7.728,292 11.431,293 3.54,294 11.045,295 3.28,296 0.883,297 0.422,298 0.211,299 0.211,300 0.211,301 3.757,304 1,305 1,306 1,307 345,308 3.162,311 64.057,312 74.135,319 1.156,320 27.341,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 46.5,332 170,333 4.537,334 4.11,335 6.674,336 4.106,337 3.128,338 4.222,339 2.035,340 10.719,341 3.059,342 4.25,343 4.042,344 6.072,345 3.823,346 2.863,347 3.906,348 2.035,349 8.779,350 2.748,351 3.924,352 3.132,353 5.674,354 3.403,355 2.432,356 3.263,357 0.86,358 7.482,359 2.354,360 3.465,361 3.034,362 5.159,363 3.011,364 2.038,365 2.672,367 6.149,368 1.977,369 3.351,370 2.487,371 4.343,372 2.463,373 1.531,374 2.055,376 3.839,377 1.419,378 3.112,379 2.115,380 4.204,381 2.367,382 1.414,383 2.021,385 3.673,386 1.344,387 2.884,388 1.98,389 3.944,390 2.18,391 1.227,392 1.839,394 3.047,395 1.167,396 2.524,397 1.469,398 2.965,399 1.46,400 0.555,401 0.846,403 0.991,404 0.496,405 2.399,406 1.231,407 2.834,408 1.381,409 0.441,410 0.685,412 0.671,413 0.413,414 1.732,415 0.941,416 2.763,417 1.271,418 0.333,419 0.545,421 0.558,422 0.311,423 1.237,424 0.455,425 2.355,426 0.816,427 -0.103,428 -0.143,430 -0.168,431 -0.093,432 0.87,433 0.125,434 2.222,435 0.411,436 -0.52,437 -0.692,439 -1.033,440 -0.482,441 0.593,442 -0.174,443 2,444 0.166,445 -0.772,446 -0.996,448 -1.78,449 -0.714,450 0.477,451 -0.592,452 1.908,453 0.042,454 -0.912,455 -1.208,457 -2.391,458 -0.863,459 0.074,460 -0.844,461 1.478,462 -0.348,463 -1.285,464 -1.758,466 -3.205,467 -1.205,468 9.667,469 0.46,470 0.486,471 0.023,472 32,473 1.524,474 19,475 0.905,476 13,477 0.619,478 11.938,479 0.568,480 21.533,481 0.673,482 23.104,483 1.1,484 6.527,485 0.311,486 3.573,487 0.17,488 0.21,490 0.362,496 1.001,497 0.926,498 0.736,499 0.829,500 0.78,501 0.735,502 1.009,503 0.959,504 0.705,505 0.857,506 0.565,507 0.75,508 0.862,509 1.221,510 0.889,511 1.174,512 0.728,513 1.076,514 0.983,515 0.978,516 1.07,517 1.105,518 0.932,519 1.121,520 1.027,521 1.027,522 1.013,523 0.956,524 1.204,525 0.983,526 0.82,527 1.077,528 0.988,529 1.097,530 0.964,531 1.081,532 0.788,533 0.992,534 0.789,535 0.909,536 0.926,537 0.849,538 1.162,539 1.306,540 1.153,541 1.294,542 1.185,543 1.237,544 4.5,546 2.889,547 1.882,548 1.268,549 0.649,550 0.416,551 0.327,552 0.209,553 0.161,554 3757,555 14530,556 1.941,557 34.4,559 7,562 4,567 1.635,568 1.775,569 3.055,570 1.968,572 1,574 1,577 55.034,578 1.72,579 4.117,580 4.578,581 4.789,582 4.789,583 4.789,584 2.429,585 4.202,586 4.367,587 3.181,588 667.934,589 7.497,590 7115.05,591 1,592 1,594 1,595 160,596 1.545,597 4.294,598 0.205,600 0.096,601 0.059,602 0.044,603 0.026,604 0.019,605 0.016,606 0.013,607 0.016,608 0.494,609 0.5,610 1,611 1.103,612 94.208,613 -0.156,614 0.18,615 -0.035,616 0.139,617 -0.116,618 0.1,619 -0.111,620 0.055,621 0.099,622 0.157,623 -0.012,624 0.172,625 0.047,626 -0.201,627 -0.089,628 -0.189,629 0.001,630 -0.178,631 -0.066,632 0.012,633 -0.158,634 -0.134,635 -0.029,636 -0.174,637 -0.134,638 -0.096,639 -0.003,640 0.04,641 -0.102,642 0.042,643 -0.031,644 -0.092,645 -0.034,646 -0.132,647 0.042,648 -0.095,649 0.129,650 -0.064,651 0.273,652 0.067,653 0.042,654 0.186,655 0.08,656 -0.312,657 -0.195,658 -0.397,659 -0.018,660 -0.373,661 1.67,662 3.542,663 0.524,664 14.304,665 1.025,666 1.13,667 0.698,668 0.487,669 0.694,670 3.135,671 3.434,672 3.714,673 3.912,674 3.989,675 3.932,676 3.932,677 3.932,678 3.892,679 3.829,680 5.129,681 0.691,682 281.3,683 3.135,684 4.654,685 5.501,686 6.372,687 7.236,688 8.11,689 8.979,690 9.853,691 10.725,692 11.599,693 15.6,697 1,701 1,702 2,703 1,709 3,710 1,711 1,714 6,716 11,718 1,727 1,732 1,733 1,735 32,737 14,738 1,739 22,741 33,742 14,743 9,744 3,745 3,746 2,748 2,749 2,761 2,762 11,763 1,767 1,774 1,776 1,779 1,780 1,783 11,784 6,785 4,786 7,792 5,797 1,798 2,807 1,815 1,816 1,825 1,834 1,835 1,843 2,847 1,851 21,852 1,857 1,861 1,866 2,870 2,872 2,874 6.3,876 1,879 1,881 11.833,882 6.133,883 4.944,884 1.59,886 2.795,887 1.445,888 0.93,889 4.249,890 9.07,891 3.512,892 4.056,893 4.697,894 5.248,895 5.667,896 5.926,897 6.218,898 6.566,899 6.872,900 7.091,901 1,902 32,903 7.621,905 3.167,906 8.246,907 13.692,909 10.48,911 2.746,912 57.667,916 82.398,917 101.876,918 128.342,920 53.683,923 101.876,924 136.081,925 128.342,926 10.883,928 70.802,929 92.55,930 104.582,931 5.085,932 82.398,934 82.398,935 230.218,936 53.683,939 82.398,940 53.683,943 78.782,944 125.297,945 26.139,947 82.398,948 182.025,949 101.876,952 82.398,953 19.885,954 48.788,955 49.867,956 165.362,957 82.398,958 182.025,959 101.876,961 0.57,962 0.363,963 0.195,964 0.095,965 13,966 7,967 0.091,968 3,970 1,971 3.189,972 154.067,974 11,975 92.239,981 14.613,982 6.106,983 2.875,985 165.362,986 4.631,987 3.719,988 2.567,991 1.315,993 92.244,994 366.299,995 32.5,1002 1.537,1004 0.198,1007 32.814,1008 36.156,1009 0.344,1010 0.823,1011 0.916,1012 0.958,1013 0.958,1014 0.958,1015 4.751,1016 0.555,1017 5.493,1018 3.047,1019 4.111,1020 4.741,1021 2.947,1022 6.315,1023 4.038,1024 5.997,1025 0.441,1026 7.071,1027 0.991,1028 3.761,1029 4.543,1031 7.286,1032 3.66,1033 7.318,1034 0.333,1035 8.748,1036 0.671,1037 5.72,1038 6.972,1039 4.258,1040 10.352,1041 5.595,1042 8.675,1043 -0.103,1044 10.481,1045 0.558,1046 6.196,1047 7.63,1049 12.128,1050 6.037,1051 10.06,1052 -0.52,1053 12.249,1054 -0.168,1055 7.624,1056 9.478,1057 5.655,1058 14.721,1059 7.449,1060 11.465,1061 -0.772,1062 14.042,1063 -1.033,1064 8.459,1065 10.528,1067 16.825,1068 8.249,1069 12.888,1070 -0.912,1071 15.852,1072 -1.78,1073 9.689,1074 12.138,1075 7.07,1076 19.263,1077 9.464,1078 3.128,1079 -1.285,1080 17.675,1081 -2.391,1082 10.682,1083 13.377,1085 21.509,1086 10.425,1087 2.863,1088 10.719,1089 19.508,1090 -3.205,1091 11.838,1092 14.882,1093 8.49,1094 23.894,1095 11.563,1096 2.432,1097 8.779,1098 21.35,1099 4.222,1100 12.901,1101 16.212,1103 26.204,1104 12.598,1105 2.038,1106 7.482,1107 23.199,1108 3.906,1109 14.031,1110 17.67,1111 9.911,1112 28.573,1113 13.709,1114 1.531,1115 6.149,1116 25.054,1117 3.263,1118 15.126,1119 19.046,1121 30.912,1122 14.778,1123 1.414,1124 3.839,1125 26.913,1126 2.672,1127 16.248,1128 20.485,1129 11.331,1130 33.277,1131 15.881,1132 1.227,1133 3.673,1134 28.777,1135 2.055,1136 17.358,1137 21.884,1139 35.631,1140 16.967,1141 3909,1142 7771,1143 13.929,1144 22.222,1145 34.812,1146 37.738,1147 34.718,1148 31.932,1149 31.926,1150 44.107,1151 9.859,1152 91.815,1153 30.575,1154 5.211,1155 6.11,1156 6.202,1157 5.108,1158 5.128,1159 7.222,1160 4.069,1161 17.801,1162 5.059,1163 12.629,1164 1.582,1165 1.715,1166 1.578,1167 1.451,1168 1.451,1169 2.005,1170 0.448,1171 4.173,1172 1.39,1173 4.012,1174 4.051,1175 3.985,1176 3.914,1177 6.825,1178 3.924,1179 3.872,1180 3.901,1181 3.834,1182 3.74,1183 6.816,1184 3.762,1185 3.439,1186 3.477,1187 3.406,1188 3.296,1189 6.47,1190 3.318,1191 3.233,1192 3.3,1193 3.063,1194 2.962,1195 5.193,1196 2.973,1197 3.067,1198 3.147,1199 3.047,1200 2.776,1201 4.783,1202 2.835,1203 2.951,1204 3.016,1205 2.88,1206 2.756,1207 4.625,1208 2.781,1209 2.867,1210 2.987,1211 2.69,1212 2.614,1213 4.386,1214 2.593,1215 2.763,1216 2.835,1217 2.565,1218 2.467,1219 3.899,1220 2.508,1221 0.206,1222 0.187,1223 0.303,1224 0.187,1225 0.142,1226 4.537,1227 0.192,1228 4.11,1229 0.092,1230 6.674,1231 0.487,1232 4.106,1233 0.139,1234 3.128,1235 4.222,1236 2.035,1237 10.719,1238 3.059,1239 1.918,1240 1.903,1241 2,1242 2.007,1243 1.108,1244 2.004,1245 1.66,1246 1.639,1247 1.712,1248 1.787,1249 0.793,1250 1.764,1251 1.404,1252 1.353,1253 1.57,1254 1.691,1255 0.574,1256 1.642,1257 1.198,1258 1.123,1259 1.496,1260 1.515,1261 0.364,1262 1.53,1263 1.107,1264 1.022,1265 1.25,1266 1.381,1267 0.168,1268 1.348,1269 0.863,1270 0.82,1271 1.088,1272 1.143,1273 0.113,1274 1.111,1275 0.775,1276 0.713,1277 0.997,1278 1.109,1280 1.074,1281 0.743,1282 0.644,1283 0.947,1284 0.982,1286 1.009,1287 3.807,1289 5.106,1290 2.398,1291 6.608,1292 4.727,1293 8.199,1294 6.804,1295 9.834,1297 1.428,1301 5.549,1302 9.542,1306 5.001,1312 18.292,1313 3.888,1314 22.117,1315 55.034,1316 131.735,1317 146.49,1318 153.245,1319 153.245,1320 153.245,1321 45.685,1322 6.275,1323 131.74,1324 131.74,1325 11,1326 12.139,1327 3.907,1328 3.524,1329 39.14,1330 64,1331 58,1332 0.306,1333 142.966,1334 250.42,1335 340.598,1336 3446,1338 15.405,1339 0.734,1340 0.528,1341 15.405,1342 11.084,1343 10.1,1344 0.459,1345 0.265,1346 5.722,1347 9.627,1348 5.573,1349 4.678,1350 10.1,1351 5.834,1352 8.519,1353 0.284,1354 0.136,1355 8.519,1356 4.072,1357 7.469,1358 0.187,1359 0.07,1360 7.469,1361 2.811,1362 5.964,1363 0.122,1364 0.036,1365 5.964,1366 1.775,1367 4.257,1368 0.08,1369 0.02,1370 4.257,1371 1.035,1372 0.468,1373 64.197,1374 0.268,1375 20.558,1376 0.872,1377 104,1378 376.466,1379 114.894,1380 372.251,1381 492.05,1382 342,1383 122,1384 351.689,1385 133.533,1386 361.183,1387 514.04,1388 335,1389 5.1}
{0 CHEMBL2002446,1 1.476,2 15.606,3 5.374,4 28.882,5 138.702,6 7.281,7 0.421,8 4.246,9 4.367,10 3.855,11 3.847,12 5.189,13 3.791,14 4.822,15 5.012,16 4.173,17 4.25,18 5.685,19 4.165,20 4.989,21 5.201,22 4.137,23 4.341,24 5.815,25 4.216,26 5.107,27 5.373,28 4.089,29 4.328,30 5.863,31 4.175,32 4.977,33 5.23,34 4.079,35 4.261,36 5.758,37 4.108,38 4.868,39 5.108,40 3.969,41 4.19,42 5.67,43 4.033,44 4.73,45 4.948,46 3.932,47 4.125,48 5.556,49 3.981,50 4.768,51 4.99,52 3.949,53 4.131,54 5.578,55 3.968,56 0.08,57 0.939,58 14.408,59 6.217,60 8.811,61 8.214,62 0.266,63 1.59,64 29.116,65 10.521,66 21.759,67 13.948,68 0.229,69 1.812,70 33.54,71 13.273,72 24.151,73 18.126,74 0.321,75 1.946,76 40.384,77 14.808,78 33.508,79 20.69,80 0.279,81 1.764,82 37.869,83 13.54,84 28.845,85 18.396,86 0.189,87 1.566,88 33.415,89 12.935,90 26.683,91 17.067,92 0.178,93 1.405,94 27.986,95 11.159,96 21.355,97 14.715,98 0.242,99 1.469,100 30.691,101 11.716,102 23.46,103 15.198,104 2,105 54,106 0.235,107 0.576,108 0.792,109 0.823,110 0.843,111 0.843,112 3.532,113 1.016,114 -5.04,115 -4.94,116 -4.63,119 42.9,121 3,122 1,124 1,125 7,141 2,142 4,143 5,146 1,151 1,152 2,168 1,172 13,175 5,180 2,183 15,187 1,188 8,193 4,196 12,200 5,205 3,208 9,213 8,218 2,221 9,225 6,230 1,233 10,238 2,241 1,243 1,246 9,249 2,250 4,258 11,264 3,267 1,272 6,276 2206,277 22.98,278 22.98,279 22.98,280 22.98,281 22.98,282 20.867,283 26.301,284 13.559,285 23.589,286 18.829,287 18.829,288 18.829,289 18.829,290 18.829,291 15.516,292 34.315,293 6.55,294 19.777,295 4.501,296 2.356,297 0.996,298 0.806,299 0.679,300 0.679,301 4.247,306 1,307 1167,308 3.391,309 66.278,311 216.539,312 186.449,314 105.857,315 117.909,318 163.032,319 2.782,320 17.013,323 1,324 0.67,325 1,326 0.8,327 0.5,328 1,329 1,330 0.85,331 69,332 515,333 4.663,334 3.451,335 6.933,336 4.305,337 3.318,338 4.394,339 1.419,340 11.725,341 3.274,342 4.277,343 3.075,344 6.304,345 3.843,346 2.871,347 3.914,348 0.916,349 9.524,350 2.795,351 4.039,352 3.02,353 5.672,354 3.649,355 2.679,356 3.556,357 0.8,358 7.852,359 2.632,360 3.779,361 2.832,362 5.515,363 3.617,364 2.659,365 2.998,366 0.68,367 7.39,368 2.522,369 3.658,370 2.732,371 5.492,372 3.417,373 2.475,374 2.678,375 0.172,376 7.311,377 2.318,378 3.581,379 2.594,380 5.263,381 3.216,382 2.267,383 2.639,385 6.568,386 2.142,387 3.403,388 2.466,389 5.061,390 2.928,391 1.992,392 2.495,394 5.887,395 1.865,396 3.115,397 2.233,398 4.851,399 2.74,400 1.778,401 2.217,403 5.291,404 1.701,405 2.983,406 2.006,407 4.747,408 2.692,409 1.713,410 2.021,412 5.046,413 1.676,414 2.885,415 1.891,416 4.068,417 2.477,418 1.563,419 1.908,421 3.424,422 1.409,423 2.55,424 1.517,425 3.803,426 2.088,427 1.117,428 1.572,430 2.937,431 1.082,432 2.455,433 1.204,434 3.715,435 2.004,436 1.063,437 1.438,439 2.768,440 0.991,441 2.32,442 1.146,443 3.414,444 1.967,445 1,446 1.099,448 2.275,449 0.965,450 2.163,451 1.09,452 3.289,453 1.765,454 0.83,455 1,457 1.915,458 0.766,459 2,460 0.721,461 3.179,462 1.525,463 0.677,464 0.979,466 1.636,467 0.557,468 16.267,469 0.493,470 0.705,471 0.021,472 37.5,473 1.136,474 16,475 0.485,476 21.5,477 0.652,478 32.646,479 0.989,480 34.733,481 0.551,482 25.354,483 0.768,484 6.925,485 0.21,486 9.301,487 0.282,488 0.031,490 0.326,496 0.85,497 1.183,498 0.781,499 0.971,500 0.722,501 0.938,502 1.582,503 0.939,504 0.979,505 0.82,506 1.055,507 0.851,508 0.933,509 1.119,510 0.949,511 1.054,512 0.826,513 1.096,514 0.977,515 0.923,516 0.784,517 0.82,518 0.998,519 0.876,520 0.772,521 0.953,522 0.937,523 0.964,524 0.847,525 0.911,526 0.764,527 1.007,528 1.018,529 1.039,530 0.897,531 0.971,532 0.718,533 1.004,534 1.028,535 1.046,536 0.961,537 1.016,538 0.704,539 1.064,540 1.187,541 1.16,542 0.934,543 1.089,544 6,545 0.151,546 3.167,547 1.924,548 1.386,549 0.921,550 0.484,551 0.528,552 0.274,553 0.212,554 19707,555 39486,556 2.242,557 47.6,558 6,559 21,560 1,562 1,564 1,567 1.747,568 2.176,569 3.892,570 -0.412,577 92.98,578 1.476,579 3.622,580 4.981,581 5.172,582 5.299,583 5.299,584 3.389,585 4.741,586 5.001,587 4.075,588 2151.78,589 8.741,590 33872.3,595 376.569,596 1.096,597 5.007,598 0.158,599 0.005,600 0.062,601 0.04,602 0.031,603 0.022,604 0.012,605 0.014,606 0.008,607 0.007,608 0.359,609 0.17,610 0.88,611 0.306,612 179.194,613 0.102,614 -0.05,615 0.096,616 0.011,617 0.147,618 0.029,619 -0.228,620 0.158,621 -0.008,622 0.142,623 -0.016,624 0.09,625 -0.019,626 -0.105,627 -0.075,628 -0.113,629 0.074,630 -0.123,631 -0.022,632 0.028,633 0.117,634 0.109,635 0.039,636 0.103,637 0.038,638 0.045,639 0.104,640 0.056,641 0.068,642 0.086,643 0.017,644 -0.029,645 0.042,646 0.019,647 0.06,648 0.044,649 0.022,650 0.01,652 0.004,653 -0.049,654 -0.007,655 0.11,656 -0.028,657 -0.043,658 -0.061,659 -0.001,660 -0.081,661 0.979,662 2.125,663 0.788,664 50.25,665 0.989,666 1.119,667 3.808,668 14.502,669 0.683,670 3.664,671 4.007,672 4.277,673 4.585,674 4.804,675 4.99,676 5.215,677 5.398,678 5.568,679 5.724,680 8.731,681 0.632,682 458.68,683 3.664,684 5.22,685 6.089,686 6.98,687 7.867,688 8.767,689 9.665,690 10.572,691 11.478,692 12.391,693 6.3,696 2,701 1,703 1,709 5,710 1,711 1,713 1,714 8,716 16,735 63,737 17,738 1,739 38,741 68,742 27,743 13,744 3,745 3,748 6,749 9,757 3,758 1,760 3,761 2,762 13,763 12,764 1,783 30,784 4,785 1,786 6,787 1,792 4,797 0.667,798 1,807 1,813 1,815 3,816 2,818 1,819 1,822 1,823 2,839 2,842 1,843 4,845 1,847 1,851 33,858 10,861 1,863 1,864 2,866 1,869 1,872 2,874 1.6,878 1,881 15.167,882 11.683,883 7.056,884 4.008,886 3.976,887 1.452,888 1.034,889 6.003,890 12.781,891 3.892,892 4.466,893 5.047,894 5.666,895 6.134,896 6.636,897 7.135,898 7.589,899 8.029,900 8.429,901 0.909,902 48,903 12.251,905 5.277,906 7.364,907 24.632,909 21.415,911 1.864,912 61.5,916 341.362,917 169.406,918 39.575,920 11,922 31.278,923 138.128,924 352.362,925 39.575,926 8.396,927 27.317,928 45.554,929 27.663,930 41.596,931 49.947,932 360.869,934 341.362,935 177.703,936 11,937 31.278,939 329.591,940 11.771,941 11,943 52.985,944 73.993,945 50.724,946 31.278,947 341.362,948 50.575,949 169.406,952 341.362,953 81.394,954 60.199,955 50.724,956 27.663,957 341.362,958 50.575,959 169.406,961 0.584,962 0.324,963 0.175,964 0.093,965 29,966 11,967 0.088,968 6,969 2,970 1.154,971 4.79,972 308.963,973 0.154,974 26,975 155.71,977 1,981 21.407,982 9.253,983 4.892,985 33.912,986 11.304,987 4.675,988 3.315,990 1.684,991 9.91,993 16.663,994 561.342,995 48,1007 62.298,1008 70.52,1009 0.247,1010 0.606,1011 0.833,1012 0.865,1013 0.886,1014 0.886,1015 5.165,1016 1.778,1017 6.066,1018 5.887,1019 4.691,1020 5.153,1021 2.13,1022 6.882,1023 4.607,1024 6.368,1025 1.713,1026 7.621,1027 5.291,1028 4.29,1029 4.89,1030 0.57,1031 7.803,1032 4.201,1033 7.678,1034 1.563,1035 9.275,1036 5.046,1037 6.301,1038 7.304,1039 2.393,1040 10.9,1041 6.162,1042 9.021,1043 1.117,1044 10.988,1045 3.424,1046 6.723,1047 7.922,1048 0.581,1049 12.689,1050 6.586,1051 10.397,1052 1.063,1053 12.742,1054 2.937,1055 8.197,1056 9.78,1057 2.916,1058 15.328,1059 8.026,1060 11.797,1061 1,1062 14.526,1063 2.768,1064 9.002,1065 10.824,1066 0.515,1067 17.495,1068 8.835,1069 13.217,1070 0.83,1071 16.332,1072 2.275,1073 10.272,1074 12.45,1075 3.544,1076 19.996,1077 10.08,1078 3.318,1079 0.677,1080 18.158,1081 1.915,1082 11.265,1083 13.707,1084 0.441,1085 22.326,1086 11.075,1087 2.871,1088 11.725,1089 19.999,1090 1.636,1091 12.458,1092 15.232,1093 4.214,1094 24.788,1095 12.253,1096 2.679,1097 9.524,1098 21.853,1099 4.394,1100 13.544,1101 16.593,1102 0.373,1103 27.189,1104 13.336,1105 2.659,1106 7.852,1107 23.719,1108 3.914,1109 14.716,1110 18.078,1111 4.9,1112 29.642,1113 14.496,1114 2.475,1115 7.39,1116 25.595,1117 3.556,1118 15.848,1119 19.491,1120 0.314,1121 32.073,1122 15.624,1123 2.267,1124 7.311,1125 27.479,1126 2.998,1127 17.018,1128 20.961,1129 5.593,1130 34.526,1131 16.784,1132 1.992,1133 6.568,1134 29.37,1135 2.678,1136 18.175,1137 22.399,1138 0.264,1139 36.972,1140 17.935,1141 17711,1142 25295,1143 26.641,1144 43.023,1145 58.626,1146 57.952,1147 58.096,1148 57.023,1149 57.068,1150 71.074,1151 7.975,1152 165.79,1153 54.416,1154 5.663,1155 5.451,1156 6.707,1157 5.414,1158 5.318,1159 7.394,1160 2.837,1161 19.287,1162 5.274,1163 8.296,1164 1.543,1165 1.525,1166 1.529,1167 1.501,1168 1.502,1169 1.87,1170 0.21,1171 4.363,1172 1.432,1173 4.137,1174 4.168,1175 4.258,1176 4.077,1177 5.042,1178 4.069,1179 3.911,1180 3.958,1181 4.038,1182 3.904,1183 4.852,1184 3.848,1185 3.885,1186 3.934,1187 3.779,1188 3.795,1189 4.641,1190 3.782,1191 3.817,1192 3.852,1193 3.738,1194 3.645,1195 4.526,1196 3.652,1197 3.625,1198 3.671,1199 3.585,1200 3.502,1201 4.377,1202 3.505,1203 3.416,1204 3.45,1205 3.361,1206 3.295,1207 4.277,1208 3.287,1209 3.257,1210 3.354,1211 3.121,1212 3.019,1213 4.034,1214 3.023,1215 3.111,1216 3.206,1217 2.921,1218 2.941,1219 3.932,1220 2.91,1221 0.123,1222 0.091,1223 0.182,1224 0.113,1225 0.087,1226 4.663,1227 0.116,1228 3.451,1229 0.037,1230 6.933,1231 0.309,1232 4.305,1233 0.086,1234 3.318,1235 4.394,1236 1.419,1237 11.725,1238 3.274,1239 1.932,1240 1.905,1241 2.051,1242 2.053,1243 1.327,1244 2.056,1245 1.752,1246 1.68,1247 1.948,1248 1.939,1249 1.183,1250 1.946,1251 1.688,1252 1.671,1253 1.775,1254 1.776,1255 1.041,1256 1.775,1257 1.591,1258 1.582,1259 1.723,1260 1.717,1261 1.007,1262 1.723,1263 1.414,1264 1.37,1265 1.591,1266 1.653,1267 0.825,1268 1.621,1269 1.381,1270 1.338,1271 1.581,1272 1.53,1273 0.825,1274 1.559,1275 1.278,1276 1.205,1277 1.513,1278 1.499,1279 0.765,1280 1.527,1281 1.153,1282 1.064,1283 1.513,1284 1.376,1285 0.734,1286 1.429,1287 4.344,1288 1.946,1289 5.68,1290 4.263,1291 7.194,1292 6.33,1293 8.793,1294 8.295,1295 10.444,1297 2.208,1303 10.614,1306 5.625,1308 0.786,1309 4.971,1313 6.408,1314 39.836,1315 92.98,1316 228.165,1317 313.814,1318 325.814,1319 333.814,1320 333.814,1321 39.98,1322 8.805,1323 44.39,1324 72.63,1325 30,1326 12.906,1327 4.17,1328 3.459,1329 43.557,1330 168,1331 195,1332 0.123,1333 241.361,1334 416.34,1335 580.681,1336 98805,1338 22.2,1339 0.673,1340 0.606,1341 22.554,1342 20.01,1343 16.225,1344 0.427,1345 0.339,1346 11.925,1347 15.261,1348 11.525,1349 9.478,1350 16.68,1351 12.865,1352 14.79,1353 0.274,1354 0.195,1355 15.367,1356 10.545,1357 12.33,1358 0.174,1359 0.106,1360 12.989,1361 7.542,1362 10.512,1363 0.108,1364 0.056,1365 11.214,1366 5.441,1367 8.405,1368 0.069,1369 0.031,1370 8.961,1371 3.748,1372 0.2,1373 105.112,1374 0.194,1375 31.593,1376 0.319,1377 184,1378 425.864,1379 216.432,1380 439.925,1381 618.38,1382 418,1383 220,1384 445.361,1385 250.661,1386 474.175,1387 698.2,1388 444,1389 5.1}
{0 CHEMBL2002479,1 1.671,2 13.656,3 3.809,4 14.507,5 121.934,6 8.471,7 0.611,8 4.101,9 4.205,10 3.775,11 3.671,12 5.249,13 3.67,14 4.614,15 4.749,16 4.168,17 4.074,18 5.776,19 4.051,20 4.84,21 5.021,22 4.173,23 4.16,24 5.921,25 4.111,26 4.818,27 4.999,28 4.129,29 4.106,30 5.928,31 4.053,32 4.785,33 4.978,34 4.095,35 4.065,36 5.884,37 4.01,38 4.754,39 4.942,40 3.972,41 4.051,42 5.812,43 3.983,44 4.746,45 4.948,46 3.868,47 4.018,48 5.796,49 3.924,50 4.719,51 4.949,52 3.838,53 3.929,54 5.728,55 3.823,56 0.096,57 0.766,58 8.793,59 4.482,60 11.349,61 5.218,62 0.351,63 1.219,64 17.322,65 7.883,66 28.611,67 9.485,68 0.44,69 1.428,70 27.984,71 10.422,72 45.008,73 12.603,74 0.516,75 1.402,76 26.697,77 9.992,78 52.363,79 12.138,80 0.533,81 1.346,82 25.622,83 9.794,84 46.608,85 12.346,86 0.416,87 1.329,88 23.476,89 9.481,90 39.348,91 11.723,92 0.375,93 1.319,94 24.491,95 9.615,96 47.69,97 12.131,98 0.395,99 1.269,100 25.312,101 9.608,102 46.008,103 12.727,104 14,105 51,106 0.274,107 0.648,108 0.8,109 0.876,110 0.882,111 0.882,112 3.502,113 0.892,114 -4.23,115 -4.17,116 -3.94,119 45.3,121 1,125 3,142 9,143 4,144 3,146 1,152 1,158 1,162 1,163 1,164 1,165 1,172 10,174 1,175 6,178 3,180 5,183 15,185 1,188 7,193 4,196 13,200 9,202 1,203 1,205 5,208 9,212 1,213 9,216 1,218 4,221 6,225 6,230 7,233 8,235 2,238 5,243 4,246 8,248 2,250 4,253 1,254 1,255 3,258 8,260 2,264 2,266 1,267 2,268 1,269 2,271 1,272 5,274 2,276 1828,277 21.988,278 21.988,279 21.988,280 21.988,281 21.988,282 19.35,283 25.806,284 13.054,285 22.428,286 17.796,287 17.796,288 17.796,289 17.796,290 17.796,291 13.604,292 36.034,293 6.251,294 18.545,295 4.057,296 1.77,297 0.84,298 0.377,299 0.34,300 0.34,301 4.213,302 1,305 1,306 1,307 967,308 3.24,311 146.386,312 276.414,315 275.422,319 2.074,320 31.507,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 69.333,332 437,333 4.577,334 3.659,335 6.813,336 4.226,337 3.23,338 4.434,339 1.081,340 11.269,341 3.216,342 4.488,343 3.126,344 6.272,345 3.988,346 3.021,347 4.279,348 0.86,349 9.588,350 2.919,351 4.074,352 3.083,353 6.051,354 3.698,355 2.704,356 3.642,357 0.473,358 8.617,359 2.689,360 3.794,361 2.836,362 5.502,363 3.431,364 2.467,365 3.183,366 0.4,367 7.402,368 2.376,369 3.662,370 2.738,371 5.304,372 3.27,373 2.341,374 3.049,376 6.841,377 2.167,378 3.575,379 2.57,380 5.081,381 3.109,382 2.197,383 2.93,385 6.125,386 1.973,387 3.241,388 2.27,389 4.957,390 2.805,391 1.849,392 2.503,394 5.49,395 1.732,396 3.079,397 1.899,398 4.79,399 2.64,400 1.657,401 2.295,403 5.059,404 1.587,405 2.998,406 1.818,407 4.396,408 2.574,409 1.606,410 2.208,412 4.264,413 1.547,414 2.667,415 1.521,416 4.189,417 2.494,418 1.513,419 1.681,421 3.483,422 1.476,423 2.632,424 1.483,425 3.799,426 2.218,427 1.245,428 1.635,430 3.146,431 1.207,432 2.5,433 1.291,434 3.549,435 2,436 1,437 1.5,439 2.355,440 1,441 2.107,442 1.095,443 3.414,444 1.904,445 0.94,446 1.061,448 2.275,449 0.899,450 1.947,451 1,452 3.159,453 1.587,454 0.671,455 0.712,457 1.198,458 0.61,459 1.754,460 0.661,461 2.965,462 1.416,463 0.474,464 0.689,466 1.185,467 0.429,468 15.314,469 0.479,470 0.742,471 0.023,472 43.75,473 1.367,474 22.5,475 0.703,476 21.25,477 0.664,478 25.24,479 0.789,480 33.286,481 0.628,482 33.561,483 1.049,484 8.671,485 0.271,486 6.931,487 0.217,488 0.095,490 0.359,496 0.846,497 1.122,498 0.621,499 0.884,500 0.735,501 0.799,502 0.802,503 1.008,504 0.704,505 0.919,506 0.622,507 0.892,508 1.16,509 1.005,510 0.948,511 0.952,512 0.98,513 0.924,514 1.048,515 1.057,516 0.9,517 1.039,518 1.057,519 1.019,520 0.879,521 0.98,522 0.728,523 0.922,524 0.641,525 0.913,526 1.008,527 1.056,528 0.813,529 1.021,530 0.874,531 1.055,532 0.954,533 1.109,534 0.964,535 1.105,536 1.311,537 1.156,538 0.734,539 1.069,540 0.796,541 1.014,542 1.098,543 1.045,544 6.5,545 0.158,546 3.111,547 2.299,548 1.635,549 1.22,550 0.679,551 0.426,552 0.328,553 0.221,554 15750,555 46373,556 2.154,557 39.6,559 15,562 4,565 2,567 1.743,568 2.043,569 3.684,570 1.57,572 1,577 88.547,578 1.671,579 3.958,580 4.888,581 5.351,582 5.388,583 5.388,584 3.233,585 4.875,586 4.968,587 3.876,588 1922.27,589 8.679,590 28624.1,592 1,595 303.58,596 1.317,597 4.943,598 0.181,599 0.006,600 0.061,601 0.046,602 0.036,603 0.027,604 0.017,605 0.012,606 0.01,607 0.007,608 0.402,609 0.17,610 0.88,611 1.101,612 169.8,613 -0.098,614 0.009,615 0.015,616 0.034,617 -0.115,618 0.059,619 0.091,620 0.061,621 0.033,622 0.02,623 0.069,624 0.005,625 -0.148,626 -0.023,627 -0.029,628 0.027,629 -0.086,630 0.04,631 -0.029,632 -0.065,633 -0.032,634 -0.076,635 -0.074,636 -0.064,637 0.094,638 -0.003,639 0.102,640 0.045,641 0.127,642 0.064,643 -0.102,644 -0.07,645 -0.067,646 -0.064,647 -0.033,648 -0.088,649 -0.126,650 -0.128,651 -0.144,652 -0.137,653 -0.163,654 -0.168,655 0.051,656 -0.111,657 0.075,658 -0.034,659 -0.036,660 -0.019,661 1.75,662 5.261,663 0.75,664 36.648,665 1.013,666 1.119,667 2.997,668 8.984,669 0.7,670 3.611,671 3.951,672 4.248,673 4.564,674 4.812,675 4.934,676 5.112,677 5.257,678 5.288,679 5.412,680 7.781,681 0.675,682 448.94,683 3.611,684 5.165,685 6.028,686 6.921,687 7.805,688 8.705,689 9.598,690 10.501,691 11.399,692 12.304,693 7.5,694 1,700 1,701 1,703 1,708 2,709 9,710 1,712 1,714 8,716 22,723 1,728 1,733 1,734 1,735 53,737 23,738 3,739 36,741 57,742 24,743 19,744 9,745 9,746 1,748 5,749 7,750 1,754 1,760 1,762 20,763 4,767 1,772 1,776 1,780 1,783 21,784 7,785 4,786 8,787 1,792 4,797 0.6,798 3,802 1,815 2,816 3,819 2,836 1,843 3,848 1,851 32,852 1,858 4,860 2,861 1,873 1,874 5.7,877 1,879 2,881 15.667,882 9.426,883 6.972,884 3.136,886 4.425,887 1.524,888 1.038,889 5.849,890 12.869,891 3.892,892 4.535,893 5.164,894 5.806,895 6.379,896 6.716,897 7.17,898 7.586,899 7.823,900 8.238,901 1,902 50,903 11.8,905 5.112,906 7.764,907 22.433,909 18.681,911 2.264,912 72.444,915 1,916 200.109,917 137.144,918 85.704,919 39.149,920 45.652,923 137.144,924 284.91,925 85.704,927 62.246,928 85.286,929 46.635,930 69.496,931 4.836,932 200.109,933 39.149,934 200.109,935 222.848,936 45.652,937 39.149,939 176.567,940 69.194,943 86.992,944 119.07,945 55.934,947 200.109,948 131.356,949 176.292,952 200.109,953 51.858,954 85.286,955 36.022,956 134.484,957 200.109,958 131.356,959 176.292,961 0.58,962 0.336,963 0.187,964 0.107,965 26,966 11,967 0.123,968 7,969 2,970 1.167,971 4.421,972 298.328,973 0.167,974 24,975 156,981 20.976,982 8.922,983 4.388,984 1.35,985 131.356,986 16.955,987 4.425,989 5.725,991 6.045,993 68.919,994 507.758,995 48,1000 12.261,1004 -0.083,1007 53.665,1008 59.302,1009 0.292,1010 0.691,1011 0.853,1012 0.934,1013 0.941,1014 0.941,1015 5.133,1016 1.657,1017 6.014,1018 5.49,1019 4.635,1020 5.223,1021 1.72,1022 6.836,1023 4.564,1024 6.351,1025 1.606,1026 7.573,1027 5.059,1028 4.205,1029 5.085,1031 7.719,1032 4.1,1033 7.67,1034 1.513,1035 9.229,1036 4.264,1037 6.236,1038 7.478,1039 1.605,1040 10.846,1041 6.121,1042 9.025,1043 1.245,1044 10.944,1045 3.483,1046 6.635,1047 8.166,1049 12.583,1050 6.508,1051 10.413,1052 1,1053 12.696,1054 3.146,1055 8.124,1056 10.033,1057 1.616,1058 15.22,1059 7.986,1060 11.823,1061 0.94,1062 14.477,1063 2.355,1064 8.914,1065 11.114,1067 17.329,1068 8.775,1069 13.252,1070 0.671,1071 16.278,1072 2.275,1073 10.186,1074 12.76,1075 1.674,1076 19.803,1077 10.037,1078 3.23,1079 0.474,1080 18.096,1081 1.198,1082 11.165,1083 14.04,1085 22.076,1086 11.016,1087 3.021,1088 11.269,1089 19.927,1090 1.185,1091 12.351,1092 15.588,1093 1.758,1094 24.496,1095 12.195,1096 2.704,1097 9.588,1098 21.769,1099 4.434,1100 13.419,1101 16.966,1103 26.842,1104 13.263,1105 2.467,1106 8.617,1107 23.621,1108 4.279,1109 14.575,1110 18.47,1111 1.859,1112 29.249,1113 14.413,1114 2.341,1115 7.402,1116 25.481,1117 3.642,1118 15.685,1119 19.897,1121 31.629,1122 15.521,1123 2.197,1124 6.841,1125 27.348,1126 3.183,1127 16.833,1128 21.383,1129 1.973,1130 34.035,1131 16.665,1132 1.849,1133 6.125,1134 29.22,1135 3.049,1136 17.965,1137 22.834,1139 36.432,1140 17.794,1141 14641,1142 25317,1143 24.561,1144 37.097,1145 54.262,1146 55.757,1147 55.583,1148 54.119,1149 53.974,1150 71.782,1151 5.627,1152 156.982,1153 51.789,1154 5.443,1155 5.659,1156 6.722,1157 5.278,1158 5.23,1159 7.434,1160 2.162,1161 18.644,1162 5.216,1163 13.685,1164 1.507,1165 1.549,1166 1.544,1167 1.503,1168 1.499,1169 1.994,1170 0.156,1171 4.361,1172 1.439,1173 4.104,1174 4.122,1175 4.121,1176 4.015,1177 7.429,1178 4.021,1179 4.034,1180 4.049,1181 4.018,1182 3.934,1183 5.241,1184 3.948,1185 3.82,1186 3.85,1187 3.78,1188 3.739,1189 5.011,1190 3.741,1191 3.643,1192 3.714,1193 3.616,1194 3.452,1195 4.854,1196 3.448,1197 3.41,1198 3.454,1199 3.494,1200 3.214,1201 4.784,1202 3.242,1203 3.36,1204 3.396,1205 3.297,1206 3.165,1207 4.657,1208 3.187,1209 3.085,1210 3.158,1211 3.068,1212 2.93,1213 4.33,1214 2.937,1215 2.976,1216 3.045,1217 2.924,1218 2.775,1219 4.102,1220 2.768,1221 0.127,1222 0.102,1223 0.189,1224 0.117,1225 0.09,1226 4.577,1227 0.123,1228 3.659,1229 0.03,1230 6.813,1231 0.313,1232 4.226,1233 0.089,1234 3.23,1235 4.434,1236 1.081,1237 11.269,1238 3.216,1239 1.991,1240 1.976,1241 2.068,1242 2.058,1243 1.249,1244 2.062,1245 1.887,1246 1.872,1247 1.948,1248 1.971,1249 1.156,1250 1.971,1251 1.772,1252 1.749,1253 1.905,1254 1.901,1255 1.065,1256 1.901,1257 1.606,1258 1.537,1259 1.839,1260 1.81,1261 0.993,1262 1.823,1263 1.363,1264 1.308,1265 1.567,1266 1.657,1267 0.708,1268 1.628,1269 1.268,1270 1.23,1271 1.38,1272 1.568,1273 0.465,1274 1.509,1275 1.075,1276 1.034,1277 1.361,1278 1.4,1279 0.364,1280 1.396,1281 0.954,1282 0.891,1283 1.181,1284 1.164,1285 0.232,1286 1.167,1287 4.29,1289 5.624,1290 3.045,1291 7.144,1292 5.416,1293 8.756,1294 7.516,1295 10.42,1298 6.011,1301 5.557,1303 2.313,1305 6.066,1306 5.82,1314 35.799,1315 88.547,1316 209.766,1317 259.05,1318 283.58,1319 285.58,1320 285.58,1321 49.461,1322 8.445,1323 102.41,1324 102.41,1325 28,1326 12.824,1327 4.585,1328 3.7,1329 45.893,1330 149,1331 159,1332 0.149,1333 219.317,1334 374.9,1335 526.894,1336 62237,1337 1.9,1338 22.079,1339 0.69,1340 0.56,1341 22.579,1342 17.908,1343 15.602,1344 0.433,1345 0.297,1346 10.21,1347 14.737,1348 10.016,1349 8.235,1350 15.89,1351 10.699,1352 14.172,1353 0.278,1354 0.156,1355 14.58,1356 7.94,1357 12.051,1358 0.175,1359 0.08,1360 12.313,1361 5.544,1362 10.375,1363 0.109,1364 0.041,1365 10.609,1366 3.887,1367 8.63,1368 0.071,1369 0.022,1370 8.882,1371 2.65,1372 0.238,1373 100.712,1374 0.202,1375 30.215,1376 0.396,1377 174,1378 519.033,1379 206.283,1380 528.746,1381 723.44,1382 496,1383 207,1384 521.409,1385 232.943,1386 533.693,1387 789,1388 505,1389 5.2}
{0 CHEMBL2002553,1 2.009,2 4.929,3 0.571,4 0.325,5 51.111,6 10.512,7 0.667,8 3.18,9 3.233,10 3.084,11 2.759,12 4.583,13 2.769,14 3.574,15 3.663,16 3.466,17 3.11,18 5.109,19 3.11,20 3.685,21 3.767,22 3.492,23 3.126,24 5.19,25 3.137,26 3.8,27 3.876,28 3.428,29 3.004,30 5.633,31 2.99,32 3.53,33 3.713,34 2.658,35 2.565,36 4.882,37 2.515,38 3.073,39 3.237,40 2.686,41 2.077,42 4.702,43 2.062,44 2.654,45 2.891,46 0.742,47 1.313,48 3.909,49 1.136,50 1.298,51 1.682,52 0.021,53 0.361,54 1.386,55 0.189,56 0.165,57 0.308,58 2.254,59 1.74,60 24.264,61 1.243,62 0.272,63 0.464,64 4.43,65 2.74,66 45.535,67 2.445,68 0.284,69 0.502,70 3.393,71 2.968,72 39.123,73 2.114,74 0.525,75 0.502,76 10.385,77 4.155,78 81.723,79 3.001,80 0.394,81 0.367,82 7.566,83 2.667,84 58.605,85 1.836,86 0.201,87 0.215,88 5.413,89 2.038,90 26.107,91 1.998,92 0.238,93 0.115,94 5.796,95 1.376,96 40.899,97 1.005,98 0.036,99 0.024,100 1.878,101 0.36,102 5.4,103 0.629,104 18,105 22,106 0.422,107 0.817,108 0.838,109 0.859,110 0.859,111 0.859,112 2.737,113 0.911,114 -1.13,115 -1.23,116 -1.31,119 40,120 1,143 2,144 1,145 1,146 1,158 1,161 1,167 1,170 1,173 1,175 5,178 1,180 3,183 2,187 1,189 1,194 1,197 1,199 1,200 3,203 4,204 1,205 2,208 1,214 1,222 1,224 1,225 1,228 1,230 1,276 140,277 9.052,278 9.052,279 9.052,280 9.052,281 9.052,282 7.653,283 6.86,284 5.092,285 9.3,286 7.336,287 7.336,288 7.336,289 7.336,290 7.336,291 5.245,292 6.189,293 2.337,294 7.725,295 2.313,296 0.438,297 0.338,298 0.238,299 0.238,300 0.238,301 3.367,305 1,306 1,307 142,308 2.345,311 26.093,312 30.23,315 47.355,319 0.806,320 23.872,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 32,332 69,333 4.674,334 3.631,335 6.875,336 4.199,337 3.236,338 4.636,339 1.437,340 11.346,341 3.112,342 4.023,343 3.2,344 6.091,345 3.62,346 2.643,347 3.517,349 8.557,350 2.569,351 3.345,352 2.378,353 5.003,354 2.8,355 1.903,356 2.712,358 5.532,359 1.701,360 3.145,361 2.017,362 4.716,363 2.692,364 1.732,365 2.309,367 4.55,368 1.625,369 2.639,370 1.465,371 3.883,372 2.11,373 1.137,374 1.647,376 2.806,377 1.094,378 2.247,379 0.89,380 3.444,381 1.734,382 0.798,383 1.136,385 1.915,386 0.736,387 1.243,388 0.526,389 2.635,390 0.804,391 -0.11,392 -0.137,394 -0.265,395 -0.099,396 0.846,397 0.221,398 2.351,399 0.465,400 -0.49,401 -0.613,403 -1.181,404 -0.462,405 0.448,406 -0.232,407 2,408 -0.005,409 -1,410 -1.32,412 -2,413 -0.945,414 0.251,415 -0.994,416 1.713,417 -0.195,418 -1.101,419 -1.559,421 -3.052,422 -1.005,423 -0.092,424 -1.148,425 1.464,426 -0.477,427 -1.403,428 -1.806,430 -3.889,431 -1.303,432 -0.292,433 -1.556,434 1.31,435 -0.695,436 -1.669,437 -2.161,439 -5.001,440 -1.586,441 -0.392,442 -1.674,443 1,444 -0.784,445 -1.732,446 -2.501,448 -5.431,449 -1.648,450 -0.5,451 -1.925,452 0.861,453 -1.013,454 -1.943,455 -2.862,457 -6.501,458 -1.842,459 -0.586,460 -2,461 0.655,462 -1.054,463 -2,464 -3,465 -1.437,466 -7.385,467 -1.948,468 6.633,469 0.474,470 0.477,471 0.034,472 19,473 1.357,474 10,475 0.714,476 9,477 0.643,478 8.624,479 0.616,480 14.967,481 0.748,482 11.504,483 0.822,484 3.777,485 0.27,486 2.832,487 0.202,488 0.226,490 0.452,496 0.944,497 1.119,498 0.684,499 0.813,500 0.901,501 0.693,502 0.552,503 1.062,504 0.55,505 0.757,506 0.48,507 0.618,508 1.02,509 1.069,510 0.756,511 0.884,512 0.943,513 0.881,514 0.825,515 1.228,516 1.501,517 1.527,518 0.885,519 1.401,520 1.578,521 0.733,522 1.304,523 0.803,524 1.446,525 1.126,526 0.617,527 1.158,528 0.722,529 1.444,530 0.918,531 1.309,532 2.2,533 0.371,534 1.809,535 0.684,536 2.358,537 1.08,544 3,546 2.222,547 1.597,548 0.804,549 0.441,550 0.111,554 1092,555 5073,556 1.952,557 30,561 1,562 2,563 3,567 1.517,568 1.75,569 2.39,570 0.686,574 1,577 40.174,578 2.009,579 3.884,580 3.984,581 4.084,582 4.084,583 4.084,584 1.835,585 3.182,586 3.783,587 2.449,588 222.823,589 6.34,590 1730.78,592 1,595 86.439,596 1.557,597 3.689,598 0.2,600 0.101,601 0.073,602 0.045,603 0.055,604 0.019,608 0.492,609 0.67,610 1,611 1.06,612 51.056,613 -0.213,614 -0.106,615 0.002,616 0.072,617 -0.217,618 0.096,619 0.133,620 -0.047,621 0.22,622 0.141,623 0.177,624 0.258,625 -0.21,626 -0.048,627 -0.035,628 -0.035,629 -0.148,630 -0.085,631 0.305,632 -0.253,633 -0.381,634 -0.431,635 0.252,636 -0.512,637 -0.517,638 0.184,639 -0.34,640 0.068,641 -0.407,642 -0.118,643 0.439,644 -0.333,645 0.485,646 -0.422,647 0.199,648 -0.16,649 -0.744,650 0.347,651 -0.431,652 0.38,653 -0.732,654 0.23,655 0.695,656 0.557,657 1.585,658 0.998,659 0.568,660 1.998,661 2.859,662 3.682,663 0.643,664 6,665 1.051,666 1.119,667 -0.097,668 0.009,669 0.727,670 2.773,671 3.135,672 3.434,673 3.689,674 3.738,675 3.761,676 3.689,677 3.584,678 2.996,679 1.792,680 3.323,681 0.721,682 210.23,683 2.773,684 4.317,685 5.187,686 6.089,687 6.976,688 7.882,689 8.774,690 9.681,691 10.575,692 11.481,693 10,703 2,708 2,709 1,710 2,713 1,714 3,716 10,725 1,732 1,735 20,737 11,739 15,741 21,742 8,743 6,746 1,748 2,749 3,754 1,762 7,763 1,767 1,772 1,776 1,783 6,784 5,785 2,786 6,787 1,790 1,792 2,797 0.5,798 3,809 1,815 1,816 1,819 1,841 1,843 1,845 1,847 1,851 14,857 2,874 15,876 2,877 1,881 8,882 3.967,883 3.056,884 1.029,886 2.226,887 1.389,888 0.899,889 2.114,890 7.943,891 3.091,892 3.79,893 4.464,894 5.104,895 5.551,896 5.918,897 6.23,898 6.482,899 6.099,900 5.195,901 1,902 22,903 5.146,904 0.002,905 2.265,906 8.417,907 9.15,908 0.001,909 7.322,910 -0.001,911 2.917,912 40.833,913 0.002,916 47.084,917 58.667,918 31.762,920 110.512,922 31.052,923 27.615,924 157.596,925 31.762,926 8.825,929 155.271,930 17.563,932 66.365,934 47.084,935 59.376,936 110.512,937 31.052,939 47.084,940 110.512,943 20.946,944 6.668,945 31.762,946 31.052,947 47.084,948 142.273,949 58.667,952 47.084,953 40.794,954 17.873,956 142.273,957 47.084,958 142.273,959 58.667,961 0.6,962 0.366,963 0.197,964 0.088,965 12,966 6,967 0.048,968 1,969 1,970 1.222,971 2.484,972 91.56,973 0.222,974 9,975 53.303,977 1,981 9.339,982 3.17,983 1.372,984 0.972,985 142.273,986 1.137,987 7.883,990 1.134,991 0.146,993 85.367,994 248.024,995 21,1000 10.682,1004 -1.192,1007 21.029,1008 22.375,1009 0.465,1010 0.899,1011 0.922,1012 0.945,1013 0.945,1014 0.945,1015 4.324,1016 -0.49,1017 5.22,1018 -0.265,1019 3.807,1020 4.472,1021 1.635,1022 6.103,1023 3.709,1024 5.594,1025 -1,1026 6.838,1027 -1.181,1028 3.611,1029 4.543,1031 7.186,1032 3.489,1033 6.948,1034 -1.101,1035 8.559,1036 -2,1037 5.468,1038 6.842,1039 2.253,1040 10.308,1041 5.297,1042 8.343,1043 -1.403,1044 10.336,1045 -3.052,1046 6.066,1047 7.739,1049 12.199,1050 5.873,1051 9.771,1052 -1.669,1053 12.15,1054 -3.889,1055 7.463,1056 9.552,1057 2.922,1058 14.862,1059 7.228,1060 11.222,1061 -1.732,1062 13.988,1063 -5.001,1064 8.395,1065 10.81,1067 17.067,1068 8.13,1069 12.691,1070 -1.943,1071 15.843,1072 -5.431,1073 9.634,1074 12.445,1075 3.619,1076 19.576,1077 9.329,1078 3.236,1079 -2,1080 17.712,1081 -6.501,1082 10.702,1083 13.859,1085 21.909,1086 10.363,1087 2.643,1088 11.346,1089 19.592,1090 -7.385,1091 11.888,1092 15.428,1093 4.33,1094 24.364,1095 11.509,1096 1.903,1097 8.557,1098 21.479,1099 4.636,1100 13.013,1101 16.909,1103 26.751,1104 12.596,1105 1.732,1106 5.532,1107 23.372,1108 3.517,1109 14.183,1110 18.453,1111 5.047,1112 29.187,1113 13.726,1114 1.137,1115 4.55,1116 25.271,1117 2.712,1118 15.332,1119 19.964,1121 31.596,1122 14.836,1123 0.798,1124 2.806,1125 27.174,1126 2.309,1127 16.499,1128 21.5,1129 5.769,1130 34.026,1131 15.963,1132 -0.11,1133 1.915,1134 29.08,1135 1.647,1136 17.66,1137 23.023,1139 36.445,1140 17.084,1141 1188,1142 2630,1143 9.364,1144 14.545,1145 23.349,1146 23.735,1147 24.822,1148 22.949,1149 22.898,1150 31.917,1151 2.873,1152 69.411,1153 21.674,1154 5.261,1155 5.631,1156 6.22,1157 5.252,1158 5.236,1159 7.636,1160 2.873,1161 18.73,1162 5.061,1163 7.9,1164 1.557,1165 1.582,1166 1.655,1167 1.53,1168 1.527,1169 2.128,1170 0.192,1171 4.627,1172 1.445,1173 4.057,1174 4.069,1175 4.305,1176 4.01,1177 7.475,1178 3.985,1179 3.508,1180 3.521,1181 3.616,1182 3.368,1183 6.468,1184 3.366,1185 3.135,1186 3.179,1187 3.094,1188 2.947,1189 6.35,1190 2.909,1191 2.876,1192 2.869,1193 3.003,1194 2.595,1195 4.948,1196 2.615,1197 2.785,1198 2.854,1199 2.651,1200 2.52,1201 4.376,1202 2.534,1203 2.111,1204 2.179,1205 2.122,1206 1.802,1207 3.658,1208 1.813,1209 2.012,1210 2.072,1211 1.908,1212 1.682,1213 3.336,1214 1.659,1215 1.961,1216 2.001,1217 1.785,1218 1.371,1219 3.139,1220 1.442,1221 0.312,1222 0.242,1223 0.458,1224 0.28,1225 0.216,1226 4.674,1227 0.309,1228 3.631,1229 0.096,1230 6.875,1231 0.756,1232 4.199,1233 0.207,1234 3.236,1235 4.636,1236 1.437,1237 11.346,1238 3.112,1239 1.877,1240 1.866,1241 1.916,1242 1.986,1243 1.074,1244 1.967,1245 1.418,1246 1.368,1247 1.633,1248 1.613,1249 0.693,1250 1.633,1251 1.12,1252 1.146,1253 1.102,1254 1.373,1255 0.225,1256 1.31,1257 0.754,1258 0.704,1259 0.961,1260 1.087,1262 1.062,1263 0.621,1264 0.595,1265 0.699,1266 0.816,1268 0.873,1269 0.357,1270 0.302,1271 0.539,1272 0.776,1274 0.757,1277 0.338,1278 0.434,1280 0.393,1284 0.057,1286 0.022,1287 3.434,1289 4.779,1290 2.398,1291 6.326,1292 4.727,1293 7.971,1294 6.823,1295 9.668,1297 1.7,1302 18.372,1314 14.428,1315 40.174,1316 77.684,1317 79.684,1318 81.684,1319 81.684,1320 81.684,1321 25.131,1322 5.717,1323 83.31,1324 111.55,1325 11,1326 12.001,1327 3.585,1328 2.807,1329 21.128,1330 29,1331 22,1332 0.416,1333 94.794,1334 154.12,1335 223.056,1336 1558,1338 10.293,1339 0.735,1340 0.571,1341 10.646,1342 7.999,1343 6.609,1344 0.441,1345 0.304,1346 3.775,1347 5.827,1348 3.603,1349 2.987,1350 7.063,1351 4.556,1352 6.236,1353 0.283,1354 0.16,1355 6.787,1356 3.526,1357 5.204,1358 0.173,1359 0.091,1360 5.938,1361 2.726,1362 4.506,1363 0.116,1364 0.05,1365 5.292,1366 1.944,1367 2.859,1368 0.07,1369 0.027,1370 3.492,1371 1.103,1372 0.59,1373 46.836,1374 0.327,1375 13.582,1376 1.338,1377 74,1378 296.186,1379 106.812,1380 303.25,1381 399.19,1382 278,1383 89,1384 269.185,1385 119.383,1386 288.66,1387 420.58,1388 269,1389 5.1}
{0 CHEMBL2002613,1 1.62,2 13.882,3 4.2,4 17.642,5 129.082,6 8.117,7 0.711,8 4.156,9 4.268,10 3.802,11 3.687,12 5.353,13 3.696,14 4.64,15 4.788,16 4.139,17 4.056,18 5.792,19 4.055,20 4.795,21 4.958,22 4.155,23 4.149,24 5.931,25 4.12,26 4.898,27 5.1,28 4.14,29 4.122,30 6.022,31 4.083,32 4.879,33 5.094,34 4.154,35 4.061,36 6.08,37 4.037,38 4.78,39 4.961,40 4.064,41 4.02,42 5.962,43 4.002,44 4.793,45 5.01,46 3.985,47 3.991,48 5.932,49 3.947,50 4.687,51 4.899,52 3.927,53 3.948,54 5.769,55 3.897,56 0.137,57 0.87,58 9.734,59 4.717,60 10.432,61 5.574,62 0.37,63 1.326,64 18.666,65 7.537,66 26.342,67 9.059,68 0.328,69 1.524,70 22.013,71 8.951,72 32.416,73 11.038,74 0.514,75 1.639,76 27.019,77 9.442,78 46.753,79 12.473,80 0.732,81 1.556,82 28.489,83 9.259,84 66.664,85 12.512,86 0.52,87 1.468,88 23.569,89 8.039,90 46.478,91 9.711,92 0.68,93 1.463,94 25.851,95 8.454,96 63.541,97 10.899,98 0.442,99 1.262,100 23.116,101 8.586,102 42.371,103 11.435,104 14,105 53,106 0.261,107 0.603,108 0.732,109 0.824,110 0.832,111 0.832,112 3.56,113 0.837,114 -4.22,115 -4.16,116 -3.93,119 44.6,124 2,125 1,142 11,143 4,144 2,146 2,151 1,153 1,158 1,166 2,168 1,172 12,174 1,175 9,178 1,179 1,180 3,183 13,188 13,191 1,193 5,196 6,199 1,200 15,203 1,205 5,208 1,212 3,213 12,216 2,218 4,221 4,224 1,225 7,228 2,233 8,237 2,238 4,241 6,243 1,246 14,249 3,250 4,258 12,263 2,264 9,269 2,272 8,276 2226,277 23.513,278 23.513,279 23.513,280 23.513,281 23.513,282 20.314,283 24.528,284 13.829,285 24.066,286 18.685,287 18.685,288 18.685,289 18.685,290 18.685,291 13.684,292 34.715,293 6.49,294 19.362,295 4.187,296 2.055,297 1.256,298 0.683,299 0.634,300 0.634,301 4.269,305 1,306 1,307 1034,308 3.464,311 173.587,312 327.547,315 145.339,319 2.36,320 28.41,323 1,324 0.67,325 1,326 0.6,328 1,329 1,330 0.75,331 74,332 472,333 4.578,334 3.589,335 6.578,336 4.115,337 3.138,338 4.522,339 1.058,340 10.483,341 3.066,342 4.295,343 3.13,344 6.161,345 3.909,346 2.926,347 3.929,348 0.86,349 9.169,350 2.879,351 4.228,352 2.983,353 6.103,354 3.808,355 2.841,356 3.875,357 0.86,358 8.974,359 2.745,360 3.916,361 2.949,362 5.548,363 3.544,364 2.558,365 3.451,366 0.522,367 7.56,368 2.524,369 3.75,370 2.692,371 5.459,372 3.371,373 2.402,374 3.101,376 7.141,377 2.309,378 3.57,379 2.555,380 5.11,381 3.127,382 2.153,383 2.981,385 6.134,386 2.092,387 3.355,388 2.222,389 5.04,390 2.972,391 2.061,392 2.641,394 5.858,395 1.867,396 3.312,397 1.999,398 4.969,399 2.857,400 1.901,401 2.604,403 5.818,404 1.814,405 2.939,406 1.816,407 4.326,408 2.483,409 1.496,410 2.123,412 3.998,413 1.476,414 2.795,415 1.563,416 4.145,417 2.316,418 1.335,419 1.922,421 3.486,422 1.305,423 2.703,424 1.355,425 3.907,426 2.221,427 1.237,428 1.744,430 3.004,431 1.211,432 2.576,433 1.2,434 3.576,435 2.058,436 1.072,437 1.568,439 2.849,440 1.05,441 2.5,442 1.065,443 3.281,444 2,445 1,446 1.5,448 2.136,449 1,450 2.207,451 1,452 3.247,453 1.707,454 0.727,455 1.065,457 1.739,458 0.711,459 2.088,460 0.916,461 3.238,462 1.593,463 0.604,464 0.884,466 1.499,467 0.595,468 15.9,469 0.468,470 0.721,471 0.021,472 49,473 1.441,474 27,475 0.794,476 22,477 0.647,478 24.592,479 0.723,480 35.1,481 0.627,482 39.61,483 1.165,484 10.188,485 0.3,486 6.435,487 0.189,488 0.084,490 0.34,496 0.743,497 1.064,498 0.697,499 1.001,500 0.617,501 0.869,502 1.087,503 1.021,504 0.827,505 0.866,506 0.736,507 0.815,508 1.059,509 1.245,510 1.028,511 1.158,512 1.004,513 1.102,514 0.952,515 1.236,516 1.011,517 1.115,518 1.161,519 1.069,520 0.885,521 1.043,522 0.817,523 0.87,524 0.997,525 0.829,526 1.446,527 1.125,528 1.155,529 1.01,530 1.414,531 1.025,532 1.117,533 0.72,534 1.076,535 0.814,536 1.803,537 0.91,538 0.813,539 0.895,540 0.816,541 0.898,542 0.737,543 0.869,544 7,545 0.208,546 3.111,547 2.076,548 1.863,549 1.184,550 0.582,551 0.459,552 0.303,553 0.291,554 18450,555 51143,556 2.145,557 39.3,559 19,560 1,562 2,567 1.759,568 2.04,569 3.753,570 0.206,577 90.743,578 1.62,579 3.752,580 4.552,581 5.124,582 5.173,583 5.173,584 3.235,585 4.676,586 5.056,587 3.939,588 2209.84,589 8.86,590 34563.2,592 1,595 325.212,596 1.286,597 5.033,598 0.184,599 0.006,600 0.059,601 0.04,602 0.038,603 0.024,604 0.013,605 0.011,606 0.007,607 0.008,608 0.389,609 0.33,610 0.88,611 0.699,612 184.089,613 0.059,614 0.076,615 0.064,616 -0.024,617 -0.027,618 0.009,619 -0.068,620 0.048,621 0.041,622 0.109,623 -0.001,624 0.092,625 -0.134,626 -0.201,627 -0.147,628 -0.179,629 -0.09,630 -0.171,631 0.01,632 -0.21,633 -0.049,634 -0.162,635 -0.057,636 -0.119,637 0.219,638 -0.05,639 0.203,640 0.084,641 0.283,642 0.135,643 -0.232,644 -0.075,645 -0.198,646 -0.079,647 -0.145,648 -0.129,649 -0.008,650 0.313,651 -0.072,652 0.12,653 -0.232,654 0.028,655 0.114,656 0.057,657 0.172,658 0.111,659 0.139,660 0.145,661 1.984,662 5.928,663 0.765,664 41.436,665 1.012,666 1.124,667 2.993,668 8.957,669 0.687,670 3.664,671 3.989,672 4.277,673 4.554,674 4.771,675 4.86,676 5.024,677 5.159,678 5.273,679 5.425,680 8.126,681 0.669,682 454.53,683 3.664,684 5.209,685 6.066,686 6.946,687 7.819,688 8.703,689 9.583,690 10.47,691 11.353,692 12.243,693 10.7,700 1,701 2,703 3,708 2,709 12,710 3,711 1,714 7,715 1,716 27,723 1,733 2,735 56,737 28,738 3,739 38,741 60,742 25,743 21,744 7,745 11,746 1,748 5,749 6,762 22,763 3,767 1,772 1,776 1,783 22,784 7,785 2,786 9,792 6,797 0.8,798 3,807 1,815 2,816 3,819 1,843 4,847 2,851 34,858 1,860 1,861 2,871 1,874 5.4,877 1,879 2,881 16.667,882 10.8,883 7.528,884 3.056,886 4.995,887 1.587,888 1.015,889 6.191,890 13.499,891 3.98,892 4.62,893 5.247,894 5.866,895 6.373,896 6.703,897 7.177,898 7.614,899 7.975,900 8.4,901 1,902 52,903 12.494,905 5.306,906 7.74,907 23.613,909 19.078,911 2.24,912 76.167,915 1,916 235.422,917 171.708,918 86.317,920 47.145,923 171.708,924 282.567,925 86.317,926 21.766,927 20.116,928 113.286,929 79.716,930 70.285,931 11.771,932 223.651,934 235.422,935 258.025,936 47.145,939 235.422,940 47.145,943 45.785,944 162.373,945 49.867,947 235.422,948 133.462,949 171.708,952 235.422,953 36.656,954 136.829,955 34.674,956 97.011,957 235.422,958 133.462,959 171.708,961 0.577,962 0.343,963 0.187,964 0.103,965 26,966 11,967 0.117,968 7,969 1,970 1.077,971 4.581,972 320.635,973 0.077,974 26,975 160.974,981 21.985,982 9.574,983 4.778,984 1.484,985 115.022,986 22.704,987 12.864,988 2.902,991 4.683,992 1.795,993 34.674,994 540.592,995 52.5,1000 12.928,1004 -0.318,1007 56.662,1008 62.94,1009 0.279,1010 0.646,1011 0.784,1012 0.882,1013 0.891,1014 0.891,1015 5.203,1016 1.901,1017 6.043,1018 5.858,1019 4.673,1020 5.308,1021 1.908,1022 6.843,1023 4.611,1024 6.42,1025 1.496,1026 7.59,1027 5.818,1028 4.205,1029 5.085,1031 7.678,1032 4.121,1033 7.73,1034 1.335,1035 9.232,1036 3.998,1037 6.26,1038 7.553,1039 1.766,1040 10.769,1041 6.148,1042 9.077,1043 1.237,1044 10.929,1045 3.486,1046 6.621,1047 8.18,1049 12.425,1050 6.487,1051 10.454,1052 1.072,1053 12.662,1054 3.004,1055 8.112,1056 10.08,1057 1.699,1058 15.012,1059 7.958,1060 11.853,1061 1,1062 14.419,1063 2.849,1064 8.858,1065 11.121,1067 17.024,1068 8.681,1069 13.269,1070 0.727,1071 16.194,1072 2.136,1073 10.119,1074 12.78,1075 1.678,1076 19.433,1077 9.925,1078 3.138,1079 0.604,1080 17.983,1081 1.739,1082 11.052,1083 14.036,1085 21.61,1086 10.834,1087 2.926,1088 10.483,1089 19.783,1090 1.499,1091 12.218,1092 15.589,1093 1.689,1094 23.955,1095 11.982,1096 2.841,1097 9.169,1098 21.593,1099 4.522,1100 13.242,1101 16.957,1103 26.209,1104 12.983,1105 2.558,1106 8.974,1107 23.41,1108 3.929,1109 14.37,1110 18.466,1111 1.723,1112 28.535,1113 14.092,1114 2.402,1115 7.56,1116 25.233,1117 3.875,1118 15.439,1119 19.893,1121 30.826,1122 15.138,1123 2.153,1124 7.141,1125 27.062,1126 3.451,1127 16.555,1128 21.387,1129 1.776,1130 33.149,1131 16.233,1132 2.061,1133 6.134,1134 28.896,1135 3.101,1136 17.648,1137 22.845,1139 35.46,1140 17.303,1141 17202,1142 28830,1143 25.948,1144 38.489,1145 56.986,1146 58.299,1147 57.824,1148 56.512,1149 56.632,1150 77.755,1151 6.6,1152 162.249,1153 54.768,1154 5.42,1155 5.589,1156 6.38,1157 5.16,1158 5.138,1159 7.522,1160 2.117,1161 17.304,1162 5.066,1163 13.855,1164 1.5,1165 1.534,1166 1.522,1167 1.487,1168 1.49,1169 2.046,1170 0.174,1171 4.27,1172 1.441,1173 4.133,1174 4.174,1175 4.103,1176 4.021,1177 7.429,1178 4.035,1179 3.95,1180 4.001,1181 3.9,1182 3.857,1183 5.14,1184 3.854,1185 3.928,1186 3.941,1187 3.884,1188 3.842,1189 5.027,1190 3.85,1191 3.773,1192 3.829,1193 3.726,1194 3.567,1195 4.907,1196 3.605,1197 3.437,1198 3.487,1199 3.375,1200 3.216,1201 4.736,1202 3.247,1203 3.303,1204 3.355,1205 3.192,1206 3.045,1207 4.58,1208 3.071,1209 3.27,1210 3.325,1211 3.144,1212 3.006,1213 4.327,1214 3.026,1215 3.09,1216 3.168,1217 2.926,1218 2.918,1219 4.173,1220 2.912,1221 0.12,1222 0.094,1223 0.173,1224 0.108,1225 0.083,1226 4.578,1227 0.119,1228 3.589,1229 0.028,1230 6.578,1231 0.276,1232 4.115,1233 0.081,1234 3.138,1235 4.522,1236 1.058,1237 10.483,1238 3.066,1239 1.95,1240 1.931,1241 2.046,1242 2.033,1243 1.185,1244 2.034,1245 1.912,1246 1.883,1247 2.013,1248 2.012,1249 1.151,1250 2.014,1251 1.885,1252 1.871,1253 1.967,1254 1.981,1255 1.075,1256 1.979,1257 1.465,1258 1.409,1259 1.618,1260 1.754,1261 0.76,1262 1.7,1263 1.422,1264 1.353,1265 1.59,1266 1.695,1267 0.584,1268 1.671,1269 1.227,1270 1.163,1271 1.574,1272 1.558,1273 0.576,1274 1.565,1275 1.217,1276 1.155,1277 1.508,1278 1.502,1279 0.536,1280 1.5,1281 1.177,1282 1.118,1283 1.335,1284 1.425,1285 0.43,1286 1.398,1287 4.344,1289 5.666,1290 3.045,1291 7.175,1292 5.352,1293 8.767,1294 7.402,1295 10.403,1297 3.076,1303 0.632,1305 2.891,1306 10.524,1314 37.487,1315 90.743,1316 210.139,1317 254.893,1318 286.947,1319 289.702,1320 289.702,1321 51.647,1322 8.504,1323 106.95,1324 106.95,1325 28,1326 12.773,1327 4.858,1328 3.954,1329 50.125,1330 164,1331 174,1332 0.146,1333 228.31,1334 382.81,1335 548.837,1336 69750,1338 23.493,1339 0.691,1340 0.548,1341 23.493,1342 18.649,1343 16.623,1344 0.437,1345 0.279,1346 10.399,1347 15.826,1348 10.134,1349 8.452,1350 16.623,1351 10.597,1352 14.742,1353 0.278,1354 0.145,1355 14.742,1356 7.673,1357 12.815,1358 0.18,1359 0.076,1360 12.815,1361 5.428,1362 10.669,1363 0.113,1364 0.039,1365 10.669,1366 3.667,1367 8.721,1368 0.075,1369 0.021,1370 8.721,1371 2.455,1372 0.233,1373 105.382,1374 0.196,1375 31.789,1376 0.387,1377 182,1378 568.453,1379 201.101,1380 547.362,1381 756.51,1382 514,1383 215,1384 570.891,1385 235.464,1386 578.507,1387 835.95,1388 540,1389 5.5}
{0 CHEMBL2002649,1 1.654,2 7.056,3 1.03,4 1.062,5 66.997,6 8.32,7 0.55,8 3.515,9 3.621,10 3.176,11 3.045,12 4.732,13 3.066,14 3.985,15 4.123,16 3.516,17 3.415,18 5.202,19 3.421,20 4.077,21 4.232,22 3.434,23 3.444,24 5.263,25 3.417,26 4.068,27 4.241,28 3.338,29 3.381,30 5.223,31 3.337,32 4.074,33 4.278,34 3.363,35 3.251,36 5.33,37 3.231,38 3.914,39 4.09,40 3.201,41 3.091,42 5.237,43 3.078,44 3.773,45 3.996,46 2.725,47 2.868,48 4.894,49 2.783,50 3.542,51 3.816,52 2.281,53 2.447,54 4.555,55 2.334,56 0.067,57 0.445,58 4.761,59 2.306,60 4.891,61 2.624,62 0.236,63 0.677,64 9.171,65 3.81,66 17.154,67 4.391,68 0.2,69 0.702,70 10.486,71 4.51,72 20.013,73 5.273,74 0.185,75 0.688,76 10.745,77 4.53,78 18.287,79 5.513,80 0.295,81 0.654,82 12.538,83 4.569,84 32.564,85 5.939,86 0.358,87 0.578,88 9.947,89 3.374,90 33.753,91 4.051,92 0.236,93 0.494,94 9.073,95 2.919,96 21.667,97 3.748,98 0.245,99 0.336,100 9.058,101 2.651,102 26.923,103 3.62,104 6,105 28,106 0.314,107 0.745,108 0.86,109 0.891,110 0.891,111 0.891,112 2.962,113 0.822,114 -2.33,115 -2.37,116 -2.33,119 44.8,124 1,135 1,136 1,142 3,143 1,144 2,146 1,151 1,158 1,160 1,172 4,175 4,178 2,180 3,183 4,188 5,193 4,196 4,200 4,205 1,208 2,212 1,213 3,216 2,218 1,221 1,224 1,225 1,228 1,229 1,230 1,237 1,238 1,243 1,253 1,255 1,276 358,277 12.386,278 12.386,279 12.386,280 12.386,281 12.386,282 10.805,283 11.833,284 7.282,285 12.729,286 9.826,287 9.826,288 9.826,289 9.826,290 9.826,291 7.319,292 15.343,293 3.407,294 10.255,295 3.204,296 0.932,297 0.328,298 0.164,299 0.164,300 0.164,301 3.637,305 1,306 1,307 274,308 2.236,311 77.454,312 42.091,315 64.754,319 1.068,320 16.638,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 39.5,332 127,333 4.546,334 3.657,335 6.738,336 4.192,337 3.201,338 4.16,339 1.058,340 11.008,341 3.17,342 3.977,343 2.931,344 5.604,345 3.518,346 2.558,347 3.556,348 0.86,349 7.471,350 2.456,351 3.756,352 2.584,353 5.302,354 3.337,355 2.383,356 3.164,358 6.777,359 2.27,360 3.354,361 2.492,362 5.153,363 2.933,364 1.958,365 2.616,367 6.023,368 1.891,369 3.062,370 1.905,371 4.729,372 2.643,373 1.652,374 2.171,376 4.823,377 1.626,378 2.684,379 1.258,380 3.69,381 2.171,382 1.229,383 1.738,385 2.795,386 1.155,387 2.3,388 1.148,389 3.343,390 1.759,391 0.795,392 1.12,394 1.963,395 0.762,396 2.118,397 0.857,398 3,399 1.532,400 0.618,401 0.927,403 1.372,404 0.564,405 1.749,406 0.618,407 2.894,408 1.398,409 0.507,410 0.597,412 0.854,413 0.445,414 1.244,415 0.59,416 2.657,417 0.869,418 -0.095,419 -0.124,421 -0.205,422 -0.09,423 0.807,424 -0.195,425 2.382,426 0.387,427 -0.627,428 -0.812,430 -1.692,431 -0.623,432 0.553,433 -0.502,434 2.177,435 0.124,436 -0.841,437 -1.058,439 -2.018,440 -0.802,441 0.409,442 -0.889,443 1.919,444 0.048,445 -0.961,446 -1.353,448 -2.811,449 -0.969,450 -0.013,451 -1.086,452 1.424,453 -0.528,454 -1.478,455 -1.756,457 -3.543,458 -1.355,459 -0.118,460 -1.429,461 1.303,462 -0.681,463 -1.61,464 -2.126,466 -4.158,467 -1.468,468 8.367,469 0.465,470 0.397,471 0.022,472 26.25,473 1.458,474 14,475 0.778,476 12.25,477 0.681,478 9.869,479 0.548,480 18.633,481 0.643,482 16.803,483 0.933,484 5.462,485 0.303,486 3.313,487 0.184,488 0.1,490 0.359,496 0.848,497 1.254,498 0.691,499 0.988,500 0.603,501 0.827,502 0.994,503 0.916,504 0.809,505 0.802,506 0.663,507 0.773,508 1.072,509 1.05,510 1.018,511 1.082,512 1.051,513 1.049,514 0.963,515 1.137,516 1.053,517 1.2,518 1.03,519 1.158,520 0.845,521 0.983,522 0.729,523 0.984,524 1.197,525 0.876,526 1.133,527 1.1,528 1.094,529 1.028,530 1.307,531 1.054,532 1.13,533 1.074,534 1.403,535 1.188,536 1.165,537 1.306,538 1.207,539 0.752,540 1.071,541 0.802,542 1.412,543 0.902,544 3.5,546 1.778,547 1.424,548 0.883,549 0.591,550 0.29,551 0.087,552 0.041,553 0.025,554 2694,555 8256,556 2.12,557 37.9,559 7,560 1,561 1,562 2,567 1.591,568 2,569 2.854,570 0.429,572 1,574 1,577 47.967,578 1.654,579 3.926,580 4.53,581 4.694,582 4.694,583 4.694,584 2.261,585 3.35,586 4.141,587 2.949,588 451.237,589 7.048,590 4179.62,592 1,595 140.881,596 1.352,597 4.109,598 0.175,600 0.063,601 0.057,602 0.04,603 0.027,604 0.016,605 0.009,606 0.007,607 0.012,608 0.406,609 0.67,610 1,611 0.816,612 75.018,613 -0.109,614 -0.135,615 0.033,616 -0.037,617 -0.079,618 0.024,619 -0.053,620 0.148,621 0.021,622 0.154,623 0.008,624 0.11,625 -0.167,626 -0.065,627 -0.153,628 -0.095,629 -0.106,630 -0.113,631 -0.116,632 -0.171,633 -0.16,634 -0.213,635 -0.096,636 -0.197,637 0.201,638 -0.073,639 0.295,641 0.13,642 0.126,643 0.112,644 -0.111,645 -0.117,646 -0.108,647 0.047,648 -0.16,649 -0.144,650 -0.087,651 -0.399,652 -0.275,653 -0.155,654 -0.362,655 -0.014,656 0.057,657 0.136,658 0.184,659 -0.141,660 0.184,661 1.791,662 4.899,663 0.778,664 11.432,665 1.017,666 1.123,667 1.101,668 1.212,669 0.689,670 3.045,671 3.367,672 3.664,673 3.951,674 4.111,675 4.19,676 4.304,677 4.344,678 4.127,679 4.007,680 4.386,681 0.676,682 241.27,683 3.045,684 4.575,685 5.434,686 6.319,687 7.201,688 8.095,689 8.986,690 9.883,691 10.779,692 11.679,693 10.3,700 1,701 1,703 1,709 5,710 1,711 1,714 4,716 11,733 1,735 29,737 13,738 1,739 20,741 31,742 13,743 9,744 3,745 3,746 3,748 3,749 4,762 12,763 1,767 2,772 1,774 1,776 2,780 1,783 11,784 4,785 2,786 5,789 1,792 3,797 0.667,798 2,815 2,816 1,819 1,829 1,834 1,835 1,843 2,847 1,851 18,860 1,861 1,874 6.9,877 1,879 1,881 9,882 5.533,883 4,884 1.54,886 2.605,887 1.401,888 1.019,889 2.647,890 9.1,891 3.35,892 3.946,893 4.55,894 5.127,895 5.572,896 5.891,897 6.28,898 6.623,899 6.741,900 6.968,901 0.8,902 25,903 6.599,905 2.808,906 7.861,907 12.352,909 9.949,911 2.361,912 42.5,913 0.001,916 105.94,917 88.287,918 51.582,920 36.145,923 88.287,924 142.085,925 51.582,926 10.883,927 18.011,928 46.952,929 67.025,930 44.913,931 11.771,932 82.398,934 105.94,935 139.869,936 36.145,939 105.94,940 36.145,943 46.172,944 67.435,945 26.262,947 105.94,948 87.727,949 88.287,952 105.94,953 21.833,954 66.454,955 34.796,956 52.93,957 105.94,958 87.727,959 88.287,961 0.577,962 0.346,963 0.192,964 0.1,965 15,966 6,967 0.065,968 2,969 1,970 1.143,971 3.069,972 132.521,973 0.143,974 14,975 75.059,981 11.05,982 4.312,983 1.945,985 70.941,986 8.796,987 4.086,988 2.853,991 3.068,993 34.796,994 281.953,995 27.5,1000 11.899,1002 1.747,1004 0.47,1007 29.494,1008 32.575,1009 0.34,1010 0.808,1011 0.932,1012 0.966,1013 0.966,1014 0.966,1015 4.572,1016 0.618,1017 5.416,1018 1.963,1019 4.043,1020 4.63,1021 1.552,1022 6.236,1023 3.976,1024 5.784,1025 0.507,1026 6.976,1027 1.372,1028 3.611,1029 4.369,1031 7.14,1032 3.558,1033 7.094,1034 -0.095,1035 8.636,1036 0.854,1037 5.638,1038 6.811,1039 1.527,1040 10.262,1041 5.532,1042 8.443,1043 -0.627,1044 10.356,1045 -0.205,1046 6.066,1047 7.399,1049 12.038,1050 5.97,1051 9.824,1052 -0.841,1053 12.115,1054 -1.692,1055 7.536,1056 9.258,1057 1.53,1058 14.676,1059 7.411,1060 11.229,1061 -0.961,1062 13.902,1063 -2.018,1064 8.36,1065 10.246,1067 16.826,1068 8.241,1069 12.651,1070 -1.478,1071 15.711,1072 -2.811,1073 9.621,1074 11.86,1075 1.557,1076 19.305,1077 9.487,1078 3.201,1079 -1.61,1080 17.538,1081 -3.543,1082 10.628,1083 13.053,1085 21.607,1086 10.497,1087 2.558,1088 11.008,1089 19.378,1090 -4.158,1091 11.814,1092 14.557,1093 1.603,1094 24.033,1095 11.675,1096 2.383,1097 7.471,1098 21.231,1099 4.16,1100 12.904,1101 15.855,1103 26.395,1104 12.764,1105 1.958,1106 6.777,1107 23.093,1108 3.556,1109 14.067,1110 17.31,1111 1.663,1112 28.802,1113 13.92,1114 1.652,1115 6.023,1116 24.963,1117 3.164,1118 15.195,1119 18.664,1121 31.187,1122 15.044,1123 1.229,1124 4.823,1125 26.841,1126 2.616,1127 16.352,1128 20.098,1129 1.734,1130 33.589,1131 16.195,1132 0.795,1133 2.795,1134 28.724,1135 2.171,1136 17.497,1137 21.482,1139 35.982,1140 17.334,1141 2648,1142 4720,1143 13.523,1144 19.972,1145 30.343,1146 31.16,1147 30.505,1148 29.684,1149 29.803,1150 40.1,1151 3.837,1152 86.174,1153 28.677,1154 5.368,1155 5.657,1156 6.351,1157 5.231,1158 5.201,1159 7.16,1160 2.117,1161 17.928,1162 5.17,1163 7.022,1164 1.517,1165 1.558,1166 1.525,1167 1.484,1168 1.49,1169 2.005,1170 0.192,1171 4.309,1172 1.434,1173 4.041,1174 4.07,1175 4.006,1176 3.951,1177 7.429,1178 3.96,1179 3.85,1180 3.908,1181 3.796,1182 3.669,1183 5.011,1184 3.693,1185 3.482,1186 3.506,1187 3.424,1188 3.291,1189 4.859,1190 3.318,1191 3.183,1192 3.252,1193 3.007,1194 2.939,1195 4.442,1196 2.944,1197 2.964,1198 3.035,1199 2.842,1200 2.741,1201 3.998,1202 2.749,1203 2.725,1204 2.798,1205 2.571,1206 2.571,1207 3.717,1208 2.565,1209 2.559,1210 2.567,1211 2.471,1212 2.364,1213 3.585,1214 2.393,1215 2.396,1216 2.509,1217 2.208,1218 2.163,1219 3.468,1220 2.154,1221 0.227,1222 0.183,1223 0.337,1224 0.21,1225 0.16,1226 4.546,1227 0.208,1228 3.657,1229 0.053,1230 6.738,1231 0.55,1232 4.192,1233 0.159,1234 3.201,1235 4.16,1236 1.058,1237 11.008,1238 3.17,1239 1.89,1240 1.874,1241 1.971,1242 1.972,1243 1.113,1244 1.972,1245 1.614,1246 1.586,1247 1.716,1248 1.772,1249 0.787,1250 1.755,1251 1.375,1252 1.292,1253 1.567,1254 1.683,1255 0.574,1256 1.651,1257 1.216,1258 1.157,1259 1.551,1260 1.533,1261 0.491,1262 1.537,1263 1.147,1264 1.092,1265 1.282,1266 1.407,1267 0.253,1268 1.377,1269 0.864,1270 0.802,1271 1.082,1272 1.066,1273 0.136,1274 1.08,1275 0.745,1276 0.687,1277 1.007,1278 0.938,1279 0.055,1280 0.966,1281 0.324,1282 0.261,1283 0.66,1284 0.61,1286 0.624,1287 3.714,1289 5.03,1290 3.045,1291 6.535,1292 5.352,1293 8.129,1294 7.402,1295 9.777,1297 1.6,1305 2.81,1306 5.17,1314 19.601,1315 47.967,1316 113.862,1317 131.372,1318 136.127,1319 136.127,1320 136.127,1321 21.982,1322 6.495,1323 70.77,1324 70.77,1325 16,1326 12.202,1327 3.807,1328 3.087,1329 25.603,1330 46,1331 47,1332 0.28,1333 121.174,1334 206.68,1335 287.425,1336 4705,1338 12.535,1339 0.696,1340 0.54,1341 12.535,1342 9.728,1343 8.775,1344 0.439,1345 0.274,1346 5.372,1347 8.348,1348 5.247,1349 4.368,1350 8.775,1351 5.48,1352 7.774,1353 0.278,1354 0.14,1355 7.774,1356 3.918,1357 6.77,1358 0.178,1359 0.074,1360 6.77,1361 2.821,1362 5.659,1363 0.111,1364 0.038,1365 5.659,1366 1.936,1367 4.27,1368 0.071,1369 0.02,1370 4.27,1371 1.197,1372 0.418,1373 55.706,1374 0.272,1375 17.768,1376 0.832,1377 96,1378 311.782,1379 106.311,1380 298.648,1381 408.61,1382 280,1383 114,1384 300.59,1385 124.008,1386 305.675,1387 444.52,1388 286,1389 7.5}
{0 CHEMBL2002682,1 1.504,2 16.023,3 6.454,4 41.655,5 172.4,6 7.41,7 0.574,8 4.474,9 4.589,10 4.032,11 4.033,12 5.535,13 4.001,14 5.017,15 5.177,16 4.365,17 4.419,18 6.028,19 4.361,20 5.257,21 5.457,22 4.493,23 4.569,24 6.252,25 4.486,26 5.296,27 5.49,28 4.515,29 4.606,30 6.28,31 4.516,32 5.38,33 5.591,34 4.479,35 4.622,36 6.372,37 4.513,38 5.404,39 5.636,40 4.44,41 4.604,42 6.364,43 4.485,44 5.372,45 5.61,46 4.334,47 4.547,48 6.289,49 4.42,50 5.307,51 5.533,52 4.422,53 4.517,54 6.316,55 4.413,56 0.047,57 1.09,58 16.963,59 7.731,60 12.783,61 10,62 0.331,63 1.738,64 32.756,65 13.144,66 37.044,67 16.981,68 0.694,69 2.121,70 45.513,71 16.97,72 62.409,73 22.435,74 0.362,75 2.228,76 46.831,77 17.602,78 51.199,79 23.234,80 0.655,81 2.375,82 55.542,83 18.721,84 80.92,85 25.065,86 0.695,87 2.436,88 54.727,89 19.004,90 76.689,91 25.977,92 0.628,93 2.297,94 52.267,95 19.142,96 76.648,97 25.958,98 0.598,99 2.188,100 50.594,101 17.619,102 82.396,103 23.932,104 27,105 63,106 0.227,107 0.545,108 0.721,109 0.843,110 0.891,111 0.902,112 3.788,113 0.963,114 -5.09,115 -4.99,116 -4.67,119 43.2,120 1,121 2,125 7,142 13,143 7,144 2,152 2,158 1,163 1,164 1,165 1,172 22,175 3,178 1,180 3,183 28,187 1,188 5,190 1,191 3,192 1,193 5,196 27,200 6,205 5,208 23,212 1,213 5,218 7,221 22,225 5,227 1,228 4,230 4,233 21,237 1,238 5,241 1,243 1,246 16,249 1,250 9,255 6,258 14,264 8,267 1,268 1,269 6,271 1,272 12,276 5050,277 29.769,278 29.769,279 29.769,280 29.769,281 29.769,282 26.447,283 24.271,284 18.325,285 30.432,286 23.218,287 23.218,288 23.218,289 23.218,290 23.218,291 18.181,292 22.891,293 8.668,294 24.29,295 4.836,296 2.726,297 1.552,298 0.745,299 0.429,300 0.355,301 4.494,302 1,306 1,307 1486,308 4.637,311 100.608,312 500.962,315 192.052,316 200.654,319 2.397,320 38.196,323 0.75,324 0.67,325 0.67,326 0.7,327 0.5,328 0.67,329 0.5,330 0.64,331 91.833,332 689,333 4.758,334 3.632,335 7.026,336 4.326,337 3.343,338 4.713,339 1.058,340 12.043,341 3.287,342 4.493,343 3.354,344 6.677,345 4.014,346 3.034,347 4.43,348 0.86,349 10.692,350 2.98,351 4.394,352 3.166,353 6.505,354 4.009,355 3.028,356 4.066,357 0.86,358 10.194,359 2.961,360 3.905,361 3.069,362 6.001,363 3.507,364 2.516,365 3.367,366 0.86,367 8.269,368 2.483,369 3.519,370 2.517,371 5.447,372 3.138,373 2.166,374 2.908,376 6.593,377 2.115,378 3.494,379 2.498,380 5.203,381 3.075,382 2.111,383 2.831,385 6.251,386 2.017,387 3.232,388 2.421,389 4.841,390 2.793,391 1.901,392 2.481,394 5.104,395 1.674,396 3.118,397 2.308,398 4.66,399 2.781,400 1.879,401 2.427,403 4.425,404 1.649,405 3.034,406 2.214,407 4.321,408 2.626,409 1.669,410 2.251,412 4.031,413 1.618,414 2.935,415 1.762,416 4.178,417 2.618,418 1.627,419 2.068,421 3.822,422 1.591,423 2.893,424 1.7,425 3.9,426 2.573,427 1.618,428 1.907,430 3.717,431 1.525,432 2.773,433 1.618,434 3.808,435 2.459,436 1.504,437 1.905,439 3.229,440 1.421,441 2.708,442 1.56,443 3.769,444 2.335,445 1.369,446 1.773,448 3.042,449 1.315,450 2.641,451 1.528,452 3.618,453 2.264,454 1.267,455 1.653,457 2.875,458 1.262,459 2.551,460 1.288,461 3.56,462 2.22,463 1.256,464 1.539,466 2.802,467 1.2,468 20.748,469 0.483,470 0.764,471 0.018,472 52.75,473 1.227,474 26,475 0.605,476 26.75,477 0.622,478 44.177,479 1.027,480 46.452,481 0.573,482 45.901,483 1.067,484 10.701,485 0.249,486 10.378,487 0.241,488 0.094,490 0.289,496 0.838,497 1.154,498 0.734,499 1.011,500 0.75,501 0.937,502 1.188,503 1.034,504 0.859,505 0.93,506 0.834,507 0.935,508 1.014,509 0.863,510 0.878,511 0.842,512 0.873,513 0.869,514 1.119,515 1.137,516 0.992,517 1.046,518 1.149,519 1.033,520 1.157,521 1.077,522 1.219,523 1.083,524 1.27,525 1.076,526 0.997,527 0.97,528 1.01,529 0.98,530 1.143,531 1.009,532 0.978,533 0.985,534 0.891,535 0.969,536 1.258,537 0.987,538 0.893,539 1.058,540 0.922,541 1.031,542 1.02,543 0.981,544 5,545 0.303,546 4.444,547 3.326,548 2.277,549 1.122,550 1.03,551 0.603,552 0.472,553 0.403,554 33080,555 83919,556 2.1,557 46.9,558 5,559 27,562 4,564 2,567 1.822,568 2,569 3.876,570 1.326,577 121.827,578 1.504,579 3.614,580 4.788,581 5.595,582 5.911,583 5.985,584 3.4,585 5.101,586 5.386,587 4.113,588 3714.4,589 9.571,590 70258.5,595 513.528,596 1.254,597 5.373,598 0.106,599 0.005,600 0.071,601 0.048,602 0.033,603 0.018,604 0.017,605 0.011,606 0.008,607 0.007,608 0.323,610 0.63,611 1.707,612 249.648,613 -0.045,614 0.014,615 0.029,616 0.011,617 -0.076,618 0.038,619 -0.098,620 0.041,621 -0.011,622 0.066,623 -0.051,624 0.029,625 0.08,626 0.157,627 0.067,628 0.151,629 0.044,630 0.107,631 -0.097,632 -0.104,633 -0.025,634 -0.046,635 -0.07,636 -0.054,637 -0.066,638 -0.055,639 -0.132,640 -0.089,641 -0.08,642 -0.101,643 0.014,644 0.05,645 -0.037,646 -0.014,647 -0.023,648 -0.039,649 0.023,650 -0.019,651 0.015,652 0.007,653 -0.032,655 0.108,656 -0.064,657 0.067,658 -0.046,659 0.158,660 0.004,661 1.842,662 6.498,663 0.581,664 67.103,665 0.998,666 1.12,667 3.861,668 14.908,669 0.672,670 3.871,671 4.159,672 4.466,673 4.762,674 4.99,675 5.088,676 5.236,677 5.403,678 5.481,679 5.553,680 9.344,681 0.633,682 600.21,683 3.871,684 5.398,685 6.252,686 7.128,687 8.008,688 8.901,689 9.794,690 10.696,691 11.598,692 12.507,693 3.7,694 1,700 1,701 1,708 4,709 13,711 1,714 7,716 27,723 1,733 1,734 1,735 81,737 28,738 4,739 47,741 85,742 35,743 24,744 9,745 13,746 1,748 5,749 7,750 1,754 2,760 2,762 25,763 10,767 1,772 1,776 1,783 38,784 6,785 4,786 8,787 1,792 3,797 0.6,798 4,811 1,815 1,816 4,819 1,820 1,836 1,842 2,843 3,847 1,848 1,851 43,852 1,858 9,860 1,861 3,873 1,874 4.9,877 1,878 2,879 1,881 21.5,882 14.476,883 9.778,884 4.932,886 5.228,887 1.595,888 0.993,889 11.098,890 14.016,891 4.135,892 4.738,893 5.394,894 6.046,895 6.623,896 6.978,897 7.41,898 7.853,899 8.139,900 8.357,901 0.909,902 69,903 15.942,905 6.671,906 7.642,907 30.783,909 25.061,911 2.142,912 92.111,916 400.217,917 203.07,918 67.693,919 39.149,920 58.145,923 203.07,924 497.511,925 67.693,926 8.825,927 83.15,928 123.191,929 51.849,930 56.991,931 4.901,932 400.217,933 39.149,934 400.217,935 270.763,936 58.145,937 39.149,939 376.675,940 59.687,941 22,943 108.761,944 162.002,945 39.149,947 400.217,948 125.838,949 242.218,952 400.217,953 71.053,954 132.016,955 34.796,956 130.19,957 400.217,958 125.838,959 242.218,961 0.562,962 0.334,963 0.191,964 0.103,965 27,966 12,967 0.176,968 15,969 2,970 1.16,971 5.244,972 433.649,973 0.16,974 25,975 229.329,981 31.048,982 15.37,983 7.583,984 4.123,985 109.053,986 26.296,988 3.459,991 6.025,993 67.693,994 768.274,995 61.5,1000 13.498,1004 -0.175,1007 80.843,1008 90.75,1009 0.237,1010 0.57,1011 0.755,1012 0.882,1013 0.932,1014 0.944,1015 5.351,1016 1.879,1017 6.209,1018 5.104,1019 4.844,1020 5.427,1021 2.038,1022 7.031,1023 4.771,1024 6.544,1025 1.669,1026 7.766,1027 4.425,1028 4.29,1029 5.239,1031 7.999,1032 4.212,1033 7.851,1034 1.627,1035 9.438,1036 4.031,1037 6.422,1038 7.7,1039 1.916,1040 11.177,1041 6.31,1042 9.206,1043 1.618,1044 11.184,1045 3.822,1046 6.804,1047 8.449,1049 13.057,1050 6.695,1051 10.603,1052 1.504,1053 12.978,1054 3.717,1055 8.339,1056 10.342,1057 1.831,1058 15.74,1059 8.205,1060 12.032,1061 1.369,1062 14.804,1063 3.229,1064 9.164,1065 11.518,1067 17.963,1068 9.027,1069 13.485,1070 1.267,1071 16.654,1072 3.042,1073 10.466,1074 13.186,1075 1.782,1076 20.488,1077 10.309,1078 3.343,1079 1.256,1080 18.52,1081 2.875,1082 11.49,1083 14.554,1085 22.845,1086 11.322,1087 3.034,1088 12.043,1089 20.398,1090 2.802,1091 12.705,1092 16.132,1093 1.767,1094 25.32,1095 12.519,1096 3.028,1097 10.692,1098 22.285,1099 4.713,1100 13.815,1101 17.585,1103 27.733,1104 13.614,1105 2.516,1106 10.194,1107 24.18,1108 4.43,1109 15,1110 19.129,1111 1.78,1112 30.195,1113 14.782,1114 2.166,1115 8.269,1116 26.08,1117 4.066,1118 16.147,1119 20.621,1121 32.636,1122 15.913,1123 2.111,1124 6.593,1125 27.985,1126 3.367,1127 17.324,1128 22.153,1129 1.816,1130 35.097,1131 17.074,1132 1.901,1133 6.251,1134 29.894,1135 2.908,1136 18.489,1137 23.664,1139 37.551,1140 18.222,1141 31472,1142 50261,1143 31.898,1144 54.398,1145 68.588,1146 71.075,1147 71.015,1148 68.445,1149 68.389,1150 90.025,1151 7.277,1152 191.164,1153 65.528,1154 5.714,1155 5.632,1156 7.002,1157 5.406,1158 5.343,1159 7.713,1160 2.117,1161 19.769,1162 5.287,1163 18.617,1164 1.459,1165 1.512,1166 1.511,1167 1.456,1168 1.455,1169 1.915,1170 0.155,1171 4.067,1172 1.394,1173 4.181,1174 4.207,1175 4.169,1176 4.113,1177 7.429,1178 4.117,1179 4.073,1180 4.091,1181 4.031,1182 4.028,1183 5.029,1184 4.026,1185 3.885,1186 3.908,1187 3.952,1188 3.832,1189 4.994,1190 3.826,1191 3.699,1192 3.747,1193 3.579,1194 3.492,1195 4.942,1196 3.496,1197 3.601,1198 3.655,1199 3.491,1200 3.436,1201 4.832,1202 3.442,1203 3.58,1204 3.641,1205 3.445,1206 3.383,1207 4.649,1208 3.385,1209 3.463,1210 3.508,1211 3.362,1212 3.339,1213 4.508,1214 3.34,1215 3.421,1216 3.479,1217 3.34,1218 3.229,1219 4.393,1220 3.234,1221 0.101,1222 0.077,1223 0.149,1224 0.092,1225 0.071,1226 4.758,1227 0.1,1228 3.632,1229 0.023,1230 7.026,1231 0.256,1232 4.326,1233 0.07,1234 3.343,1235 4.713,1236 1.058,1237 12.043,1238 3.287,1239 2.064,1240 2.048,1241 2.146,1242 2.125,1243 1.312,1244 2.133,1245 2.022,1246 2.006,1247 2.091,1248 2.078,1249 1.274,1250 2.085,1251 1.824,1252 1.8,1253 1.953,1254 1.93,1255 1.206,1256 1.932,1257 1.7,1258 1.658,1259 1.866,1260 1.885,1261 1.075,1262 1.886,1263 1.596,1264 1.544,1265 1.845,1266 1.849,1267 1.005,1268 1.846,1269 1.527,1270 1.471,1271 1.785,1272 1.775,1273 1.002,1274 1.785,1275 1.475,1276 1.426,1277 1.662,1278 1.667,1279 0.89,1280 1.664,1281 1.397,1282 1.339,1283 1.643,1284 1.586,1285 0.736,1286 1.609,1287 4.554,1289 5.849,1290 2.398,1291 7.352,1292 4.844,1293 8.963,1294 7.066,1295 10.637,1297 2.045,1298 6.675,1301 5.432,1303 4.59,1305 3.007,1306 17.136,1314 51.233,1315 121.827,1316 292.713,1317 387.838,1318 453.163,1319 478.773,1320 484.773,1321 86.108,1322 8.788,1323 98.6,1324 98.6,1325 29,1326 13.025,1327 4.858,1328 3.954,1329 71.126,1330 224,1331 343,1332 0.142,1333 316.18,1334 546.81,1335 763.239,1336 98488,1337 1.2,1338 30.02,1339 0.698,1340 0.586,1341 30.52,1342 25.214,1343 21.08,1344 0.449,1345 0.321,1346 14.569,1347 20.124,1348 14.216,1349 11.73,1350 21.368,1351 15.093,1352 17.873,1353 0.284,1354 0.171,1355 18.244,1356 10.744,1357 15.276,1358 0.178,1359 0.09,1360 15.613,1361 7.719,1362 13.165,1363 0.113,1364 0.049,1365 13.555,1366 5.715,1367 10.599,1368 0.073,1369 0.026,1370 10.825,1371 3.826,1372 0.226,1373 134.355,1374 0.177,1375 38.421,1376 0.382,1377 220,1378 611.124,1379 251.502,1380 614.334,1381 835.25,1382 580,1383 259,1384 580.593,1385 286.807,1386 598.891,1387 884.37,1388 567,1389 5.4}
{0 CHEMBL2002702,1 1.44,2 7.111,3 2.748,4 7.551,5 72.469,6 7.447,7 0.55,8 3.568,9 3.688,10 3.144,11 3.178,12 4.683,13 3.149,14 4.061,15 4.221,16 3.525,17 3.566,18 5.155,19 3.52,20 4.226,21 4.403,22 3.471,23 3.62,24 5.325,25 3.547,26 4.304,27 4.54,28 3.302,29 3.546,30 5.295,31 3.433,32 4.128,33 4.345,34 3.258,35 3.372,36 5.266,37 3.288,38 4.094,39 4.33,40 3.185,41 3.301,42 5.184,43 3.225,44 3.94,45 4.152,46 2.823,47 3.169,48 5.006,49 3.043,50 3.82,51 4.097,52 2.177,53 2.894,54 4.676,55 2.666,56 0.026,57 0.452,58 6.295,59 2.797,60 4.168,61 3.668,62 0.086,63 0.721,64 11.203,65 4.844,66 10.151,67 6.566,68 0.097,69 0.835,70 13.761,71 5.51,72 15.282,73 7.318,74 0.127,75 0.865,76 16.34,77 6.24,78 20.775,79 8.613,80 0.175,81 0.712,82 13.652,83 5.255,84 25.588,85 7.059,86 0.136,87 0.684,88 13.639,89 4.903,90 24.929,91 6.61,92 0.142,93 0.594,94 11.221,95 4.072,96 24.212,97 5.348,98 0.123,99 0.497,100 10.798,101 4.028,102 22.024,103 5.601,104 10,105 29,106 0.268,107 0.659,108 0.761,109 0.863,110 0.875,111 0.875,112 2.962,113 0.89,114 -3.37,115 -3.35,116 -3.21,119 46.9,120 2,135 1,136 1,142 5,143 2,144 1,152 2,158 1,172 8,175 1,178 1,180 7,183 9,188 2,193 5,196 9,200 2,205 2,208 8,213 3,216 1,217 1,218 2,221 5,225 2,230 4,233 5,238 1,243 2,246 6,258 4,272 1,276 346,277 12.016,278 12.016,279 12.016,280 12.016,281 12.016,282 10.329,283 12.37,284 6.967,285 12.109,286 9.877,287 9.877,288 9.877,289 9.877,290 9.877,291 7.289,292 15.104,293 3.321,294 10.02,295 3.56,296 1.457,297 0.91,298 0.36,299 0.297,300 0.297,301 3.634,304 1,305 1,306 1,307 277,308 2.121,311 76.722,312 42.492,315 64.336,319 0.914,320 12.444,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 38,332 128,333 4.542,334 3.655,335 6.731,336 4.187,337 3.194,338 4.159,339 1.058,340 10.971,341 3.167,342 4.267,343 3.023,344 6.117,345 3.86,346 2.884,347 3.921,349 8.959,350 2.813,351 3.635,352 2.751,353 5.459,354 3.181,355 2.173,356 3.02,358 6.675,359 2.184,360 3.24,361 2.177,362 4.807,363 2.874,364 1.889,365 2.439,367 5.239,368 1.854,369 3.049,370 1.946,371 4.732,372 2.673,373 1.693,374 2.182,376 4.897,377 1.653,378 2.839,379 1.526,380 4.182,381 2.359,382 1.354,383 1.97,385 3.629,386 1.358,387 2.695,388 1.416,389 3.615,390 2.294,391 1.316,392 1.746,394 2.935,395 1.285,396 2.317,397 0.895,398 3.519,399 1.741,400 0.753,401 1.114,403 1.971,404 0.741,405 1.332,406 0.527,407 2.85,408 0.924,409 -0.062,410 -0.082,412 -0.164,413 -0.061,414 0.874,415 -0.134,416 2.345,417 0.514,418 -0.504,419 -0.634,421 -1.236,422 -0.509,423 0.626,424 -0.194,425 2,426 0.375,427 -0.624,428 -0.748,430 -1.473,431 -0.622,432 0.531,433 -0.612,434 2,435 0.144,436 -0.843,437 -1.115,439 -2.127,440 -0.832,441 0.469,442 -0.837,443 2,444 0.016,445 -1,446 -1.383,448 -2.439,449 -1.009,450 0.151,451 -1.01,452 1.718,453 -0.174,454 -1.173,455 -1.531,457 -3.244,458 -1.177,459 -0.281,460 -1.423,461 1.268,462 -0.631,463 -1.635,464 -2.136,466 -4.659,467 -1.636,468 8.633,469 0.48,470 0.524,471 0.029,472 24.75,473 1.375,474 13.5,475 0.75,476 11.25,477 0.625,478 11.85,479 0.658,480 18.367,481 0.574,482 15.446,483 0.858,484 5.013,485 0.278,486 3.635,487 0.202,488 0.154,490 0.405,496 0.769,497 1.07,498 0.79,499 0.895,500 0.6,501 0.843,502 0.516,503 1.111,504 0.701,505 0.932,506 0.486,507 0.854,508 1.116,509 1.149,510 1.112,511 1.126,512 0.983,513 1.112,514 0.988,515 1.018,516 1.031,517 1.038,518 0.867,519 1.033,520 1.065,521 0.992,522 0.925,523 1.017,524 1.344,525 0.975,526 1.414,527 0.941,528 0.886,529 0.838,530 1.464,531 0.809,532 1.699,533 1.061,534 1.463,535 1.149,536 1.679,537 1.257,538 1.18,539 0.92,540 1.363,541 1.121,542 1.257,543 1.244,544 4,546 2.222,547 2.056,548 0.617,549 0.584,550 0.372,551 0.169,552 0.057,553 0.016,554 2666,555 6478,556 2.086,557 43.8,558 3,559 6,562 2,563 3,567 1.59,568 1.929,569 2.842,570 0.32,572 1,573 1,574 1,577 46.094,578 1.44,579 3.543,580 4.09,581 4.64,582 4.703,583 4.703,584 2.177,585 3.725,586 4.146,587 2.92,588 446.832,589 7.049,590 4137.91,591 1,592 1,594 1,595 160,596 1.481,597 4.09,598 0.2,600 0.077,601 0.079,602 0.029,603 0.029,604 0.02,605 0.014,606 0.011,607 0.016,608 0.475,609 1,610 1,611 0.662,612 74.896,613 -0.07,614 0.032,615 0.031,616 0.063,617 -0.09,618 0.062,619 0.203,620 -0.075,621 0.173,622 0.04,623 0.111,624 0.088,625 -0.14,626 -0.113,627 -0.206,628 -0.18,629 -0.077,630 -0.193,631 -0.065,632 -0.048,633 -0.058,634 -0.075,635 0.007,636 -0.063,637 0.187,638 -0.037,639 0.068,640 -0.053,641 0.047,642 -0.019,643 -0.086,644 0.017,645 0.138,646 0.119,647 -0.022,648 0.149,649 -0.368,650 -0.066,651 -0.485,652 -0.213,653 -0.272,654 -0.338,655 -0.225,656 -0.024,657 -0.344,658 -0.14,659 -0.225,660 -0.238,661 1.706,662 4.96,663 0.778,664 10.136,665 0.995,666 1.116,667 2.136,668 4.563,669 0.689,670 3.045,671 3.401,672 3.689,673 3.989,674 4.111,675 4.094,676 4.22,677 4.304,678 4.143,679 4.043,680 4.338,681 0.654,682 238.31,683 3.045,684 4.595,685 5.46,686 6.358,687 7.242,688 8.143,689 9.034,690 9.935,691 10.83,692 11.731,693 6.3,700 1,701 1,709 5,711 1,714 5,716 11,735 32,737 13,738 1,739 20,741 34,742 15,743 10,744 2,745 4,746 3,748 3,749 4,754 2,762 13,763 2,767 2,772 1,774 1,776 2,780 1,783 14,784 2,785 2,786 3,792 2,797 0.667,798 1,811 1,815 2,816 1,819 1,829 1,834 1,835 1,843 2,847 2,851 18,860 1,874 3.1,877 1,881 9.333,882 6.417,883 3.861,884 1.875,886 2.731,887 1.42,888 1.032,889 2.511,890 9.237,891 3.35,892 3.984,893 4.581,894 5.17,895 5.591,896 5.825,897 6.246,898 6.635,899 6.811,900 7.037,901 0.8,902 26,903 6.636,905 2.838,906 7.704,907 12.722,909 10.534,911 2.204,912 39.667,913 0.002,916 141.253,917 97.04,918 34.796,920 25.145,923 97.04,924 166.398,925 34.796,926 17.65,927 18.011,928 56.857,929 29.85,930 29.099,931 5.513,932 141.253,934 141.253,935 131.836,936 25.145,939 141.253,940 25.145,943 52.447,944 69.913,945 9.476,947 141.253,948 59.941,949 97.04,952 141.253,953 22.532,954 74.508,955 34.796,956 25.145,957 141.253,958 59.941,959 97.04,961 0.592,962 0.35,963 0.198,964 0.102,965 16,966 7,967 0.029,968 1,969 1,970 1.143,971 3.023,972 133.888,973 0.143,974 14,975 75.059,981 11.148,982 4.054,983 1.873,985 43.156,986 9.822,988 3.266,991 5.099,993 34.796,994 298.234,995 27.5,1000 11.96,1002 1.92,1004 0.679,1007 31.833,1008 35.697,1009 0.288,1010 0.709,1011 0.818,1012 0.928,1013 0.941,1014 0.941,1015 4.593,1016 0.753,1017 5.468,1018 2.935,1019 4.078,1020 4.668,1021 1.176,1022 6.312,1023 4.05,1024 5.829,1025 -0.062,1026 7.048,1027 1.971,1028 3.761,1029 4.527,1031 7.248,1032 3.73,1033 7.155,1034 -0.504,1035 8.727,1036 -0.164,1037 5.7,1038 6.883,1039 1.255,1040 10.374,1041 5.645,1042 8.518,1043 -0.624,1044 10.463,1045 -1.236,1046 6.196,1047 7.549,1049 12.164,1050 6.134,1051 9.911,1052 -0.843,1053 12.235,1054 -1.473,1055 7.641,1056 9.381,1057 1.338,1058 14.798,1059 7.56,1060 11.328,1061 -1,1062 14.033,1063 -2.127,1064 8.506,1065 10.43,1067 16.94,1068 8.416,1069 12.763,1070 -1.173,1071 15.851,1072 -2.439,1073 9.758,1074 12.034,1075 1.422,1076 19.405,1077 9.654,1078 3.194,1079 -1.635,1080 17.683,1081 -3.244,1082 10.784,1083 13.267,1085 21.691,1086 10.671,1087 2.884,1088 10.971,1089 19.527,1090 -4.659,1091 11.964,1092 14.767,1093 1.51,1094 24.099,1095 11.84,1096 2.173,1097 8.959,1098 21.381,1099 4.159,1100 13.057,1101 16.089,1103 26.444,1104 12.924,1105 1.889,1106 6.675,1107 23.242,1108 3.921,1109 14.212,1110 17.541,1111 1.599,1112 28.836,1113 14.069,1114 1.693,1115 5.239,1116 25.11,1117 3.02,1118 15.334,1119 18.906,1121 31.205,1122 15.183,1123 1.354,1124 4.897,1125 26.982,1126 2.439,1127 16.481,1128 20.336,1129 1.69,1130 33.593,1131 16.322,1132 1.316,1133 3.629,1134 28.859,1135 2.182,1136 17.617,1137 21.723,1139 35.974,1140 17.45,1141 2625,1142 4183,1143 13.235,1144 22.034,1145 31.169,1146 31.727,1147 31.924,1148 30.497,1149 30.513,1150 41.101,1151 2.117,1152 90.552,1153 30.111,1154 5.351,1155 5.655,1156 6.412,1157 5.215,1158 5.194,1159 7.159,1160 2.117,1161 17.896,1162 5.167,1163 8.491,1164 1.558,1165 1.586,1166 1.596,1167 1.525,1168 1.526,1169 2.055,1170 0.106,1171 4.528,1172 1.506,1173 4.064,1174 4.097,1175 4.022,1176 3.978,1177 7.429,1178 3.984,1179 3.912,1180 3.951,1181 3.857,1182 3.813,1183 4.865,1184 3.818,1185 3.447,1186 3.477,1187 3.378,1188 3.324,1189 4.737,1190 3.33,1191 3.202,1192 3.297,1193 2.988,1194 3.023,1195 4.089,1196 3.001,1197 3.025,1198 3.106,1199 2.878,1200 2.83,1201 3.885,1202 2.835,1203 2.846,1204 2.942,1205 2.645,1206 2.659,1207 3.82,1208 2.643,1209 2.632,1210 2.721,1211 2.535,1212 2.435,1213 3.589,1214 2.443,1215 2.597,1216 2.613,1217 2.366,1218 2.386,1219 3.357,1220 2.382,1221 0.227,1222 0.183,1223 0.337,1224 0.209,1225 0.16,1226 4.542,1227 0.208,1228 3.655,1229 0.053,1230 6.731,1231 0.549,1232 4.187,1233 0.158,1234 3.194,1235 4.159,1236 1.058,1237 10.971,1238 3.167,1239 1.898,1240 1.876,1241 1.997,1242 1.969,1243 1.12,1244 1.979,1245 1.683,1246 1.652,1247 1.842,1248 1.836,1249 0.966,1250 1.825,1251 1.61,1252 1.555,1253 1.794,1254 1.771,1255 0.87,1256 1.795,1257 1.345,1258 1.301,1259 1.545,1260 1.579,1261 0.614,1262 1.559,1263 1.013,1264 0.944,1265 1.254,1266 1.272,1267 0.265,1268 1.29,1269 0.83,1270 0.746,1271 1.139,1272 1.096,1273 0.195,1274 1.116,1275 0.773,1276 0.711,1277 1.078,1278 0.979,1279 0.179,1280 1.021,1281 0.704,1282 0.59,1283 1.041,1284 0.959,1285 0.057,1286 1,1287 3.714,1289 5.056,1290 3.045,1291 6.578,1292 5.476,1293 8.181,1294 7.591,1295 9.83,1297 4.048,1305 2.873,1314 20.918,1315 46.094,1316 113.371,1317 130.881,1318 148.49,1319 150.49,1320 150.49,1321 22.329,1322 6.506,1323 48.65,1324 48.65,1325 16,1326 12.254,1327 3.807,1328 3.087,1329 25.64,1330 46,1331 43,1332 0.281,1333 129.568,1334 221.49,1335 307.907,1336 4845,1338 12.698,1339 0.705,1340 0.576,1341 12.698,1342 10.372,1343 8.648,1344 0.432,1345 0.297,1346 5.889,1347 8.452,1348 5.653,1349 4.744,1350 8.648,1351 5.936,1352 8.135,1353 0.281,1354 0.159,1355 8.135,1356 4.607,1357 6.782,1358 0.174,1359 0.082,1360 6.782,1361 3.188,1362 5.925,1363 0.112,1364 0.044,1365 5.925,1366 2.326,1367 4.457,1368 0.074,1369 0.024,1370 4.457,1371 1.414,1372 0.42,1373 53.281,1374 0.275,1375 17.691,1376 0.832,1377 98,1378 252.401,1379 104.322,1380 252.542,1381 352.42,1382 236,1383 117,1384 267.143,1385 123.157,1386 275.479,1387 402.54,1388 259,1389 6.2}
{0 CHEMBL2002726,1 1.447,2 11.889,3 3.212,4 10.318,5 107.094,6 7.316,7 0.733,8 3.988,9 4.113,10 3.548,11 3.566,12 5.096,13 3.538,14 4.486,15 4.649,16 3.875,17 3.946,18 5.513,19 3.897,20 4.722,21 4.921,22 3.882,23 4.052,24 5.728,25 3.964,26 4.797,27 5.045,28 3.741,29 3.999,30 5.685,31 3.879,32 4.677,33 4.916,34 3.705,35 3.912,36 5.619,37 3.805,38 4.661,39 4.897,40 3.667,41 3.85,42 5.636,43 3.748,44 4.59,45 4.847,46 3.557,47 3.746,48 5.517,49 3.64,50 4.42,51 4.66,52 3.467,53 3.656,54 5.379,55 3.548,56 0.07,57 0.719,58 10.103,59 4.355,60 11.923,61 5.765,62 0.115,63 1.123,64 17.865,65 7.253,66 18.259,67 9.74,68 0.292,69 1.358,70 24.012,71 9.183,72 34.729,73 12.615,74 0.244,75 1.398,76 27.58,77 10.137,78 34.748,79 14.244,80 0.171,81 1.263,82 23.926,83 8.953,84 31.875,85 12.626,86 0.236,87 1.23,88 23.868,89 8.561,90 36.542,91 11.871,92 0.274,93 1.148,94 22.792,95 7.822,96 32.595,97 11.064,98 0.24,99 0.97,100 18.622,101 6.861,102 27.527,103 9.772,104 5,105 41,106 0.242,107 0.6,108 0.775,109 0.866,110 0.875,111 0.875,112 3.339,113 0.901,114 -3.58,115 -3.55,116 -3.39,119 44.9,120 1,121 1,125 1,127 1,142 9,143 4,144 1,145 2,146 1,152 1,163 1,164 1,165 1,168 1,172 13,175 4,180 3,183 16,185 1,187 1,188 7,190 1,191 1,193 3,196 12,198 1,200 5,205 4,208 5,210 2,213 7,218 4,221 3,223 3,225 6,227 1,228 1,230 3,233 3,235 2,237 1,238 3,241 1,243 1,246 4,248 1,249 1,250 3,253 1,255 2,258 7,260 2,264 2,269 2,272 9,274 2,276 1140,277 18.516,278 18.516,279 18.516,280 18.516,281 18.516,282 15.922,283 11.017,284 11.088,285 18.793,286 14.842,287 14.842,288 14.842,289 14.842,290 14.842,291 11.035,292 9.41,293 5.322,294 15.279,295 4.168,296 2.027,297 0.98,298 0.439,299 0.383,300 0.383,301 4.04,304 1,305 1,306 1,307 708,308 3.082,311 66.035,312 258.152,315 112.937,319 1.901,320 16.253,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 57,332 321,333 4.558,334 3.148,335 6.522,336 4.089,337 3.103,338 4.51,339 0.86,340 10.231,341 3.059,342 4.184,343 2.981,344 6.117,345 3.779,346 2.802,347 3.816,349 8.979,350 2.739,351 3.927,352 2.815,353 5.492,354 3.615,355 2.626,356 3.455,358 7.41,359 2.599,360 3.686,361 2.599,362 5.309,363 3.3,364 2.353,365 3.098,367 6.836,368 2.216,369 3.314,370 2.205,371 4.952,372 3.058,373 2.084,374 2.648,376 5.447,377 2.026,378 3.253,379 2.012,380 4.792,381 2.848,382 1.878,383 2.357,385 5.404,386 1.818,387 2.968,388 1.623,389 4.355,390 2.481,391 1.521,392 2.167,394 4.156,395 1.458,396 2.815,397 1.492,398 4.01,399 2.397,400 1.405,401 1.922,403 3.18,404 1.392,405 2.703,406 1.275,407 3.586,408 2.193,409 1.233,410 1.795,412 3.019,413 1.181,414 2.571,415 1.111,416 3.486,417 2.041,418 1.084,419 1.605,421 2.546,422 1.034,423 2.5,424 1,425 3.247,426 2,427 1,428 1.5,430 2.136,431 1,432 2.111,433 0.986,434 3.223,435 1.642,436 0.654,437 0.939,439 1.552,440 0.645,441 1.715,442 0.714,443 3.098,444 1.467,445 0.574,446 0.638,448 1.347,449 0.507,450 1.053,451 0.08,452 2.629,453 0.786,454 -0.187,455 -0.217,457 -0.455,458 -0.182,459 1.01,460 -0.208,461 2.514,462 0.631,463 -0.353,464 -0.461,466 -0.856,467 -0.345,468 12.933,469 0.479,470 0.571,471 0.021,472 37.25,473 1.38,474 20.5,475 0.759,476 16.75,477 0.62,478 19.934,479 0.738,480 27.867,481 0.569,482 25.777,483 0.955,484 7.475,485 0.277,486 5.712,487 0.212,488 0.07,490 0.309,496 0.899,497 1.021,498 0.817,499 0.944,500 1.072,501 0.88,502 1.154,503 1.117,504 0.91,505 1.003,506 0.977,507 0.945,508 1.128,509 1.059,510 1.091,511 1.082,512 1.077,513 1.087,514 1.183,515 1,516 1.022,517 1.002,518 1.011,519 1,520 1.022,521 1.081,522 0.974,523 1.064,524 1.01,525 1.021,526 1.371,527 1.093,528 1.056,529 1.072,530 1.268,531 1.044,532 1.275,533 0.887,534 0.986,535 0.898,536 1.104,537 0.909,538 0.839,539 0.978,540 0.937,541 0.981,542 0.847,543 0.974,544 5,545 0.129,546 2.667,547 1.417,548 1.142,549 0.663,550 0.415,551 0.333,552 0.152,553 0.143,554 10189,555 24084,556 2.142,557 44.9,559 12,561 2,562 3,563 3,564 2,567 1.696,568 2.051,569 3.544,570 0.872,571 1,572 1,577 70.906,578 1.447,579 3.587,580 4.634,581 5.176,582 5.232,583 5.232,584 2.967,585 4.459,586 4.728,587 3.729,588 1308.79,589 8.18,590 17472.8,592 1,594 1,595 275.121,596 1.218,597 4.706,598 0.167,599 0.007,600 0.065,601 0.036,602 0.035,603 0.021,604 0.014,605 0.012,606 0.006,607 0.007,608 0.369,609 0.33,610 1,611 0.454,612 136.221,613 0.02,614 0.112,615 0.046,616 0.055,617 -0.126,618 0.055,619 -0.092,620 -0.059,621 0.003,622 -0.006,623 -0.057,624 0.007,625 0.027,626 -0.044,627 -0.137,628 -0.1,629 -0.024,630 -0.131,631 -0.093,632 -0.055,633 -0.024,634 -0.018,635 -0.059,636 -0.014,637 -0.024,638 -0.116,639 0.008,640 -0.08,641 0.043,642 -0.038,643 -0.059,644 -0.128,645 -0.048,646 -0.104,647 -0.04,648 -0.082,649 -0.014,650 0.086,651 0.039,652 0.055,653 -0.017,654 0.053,655 0.203,656 -0.01,657 0.052,658 -0.001,659 0.156,660 0.007,661 1.402,662 2.392,663 0.778,664 26.617,665 0.994,666 1.121,667 2.351,668 5.529,669 0.68,670 3.434,671 3.738,672 3.989,673 4.234,674 4.431,675 4.431,676 4.575,677 4.691,678 4.7,679 4.754,680 7.121,681 0.644,682 358.48,683 3.434,684 4.963,685 5.802,686 6.666,687 7.52,688 8.388,689 9.25,690 10.121,691 10.987,692 11.861,693 8.2,694 1,701 1,703 2,708 2,709 11,710 2,711 1,714 5,716 22,733 1,735 49,737 22,738 2,739 30,741 52,742 22,743 18,744 4,745 8,748 4,749 5,754 1,760 2,762 18,763 4,780 1,783 22,784 4,785 3,786 5,792 4,797 0.75,798 1,807 1,809 1,815 1,816 3,819 1,836 1,843 3,847 1,851 27,852 1,858 2,861 1,863 1,874 2,879 1,881 13.167,882 8.9,883 5.917,884 2.817,886 4.037,887 1.536,888 1.013,889 5.079,890 11.562,891 3.738,892 4.36,893 4.967,894 5.569,895 6.099,896 6.345,897 6.814,898 7.251,899 7.491,900 7.833,901 0.875,902 39,903 9.933,905 4.168,906 7.574,907 19.228,909 15.774,911 2.074,912 56,915 1,916 223.651,917 141.607,918 83.009,920 11,923 141.607,924 234.651,925 83.009,926 8.825,927 40.024,928 85.286,929 56.991,930 65.275,931 2.757,932 200.109,934 223.651,935 224.616,936 11,939 200.109,940 34.542,943 85.751,944 105.416,945 33.449,947 223.651,948 94.009,949 141.607,952 223.651,953 29.401,954 112.206,955 16.663,956 77.346,957 223.651,958 94.009,959 141.607,961 0.577,962 0.331,963 0.178,964 0.096,965 20,966 8,967 0.115,968 6,969 1,970 1.095,971 4.061,972 224.352,973 0.095,974 21,975 124.382,981 17.564,982 7.808,983 4.12,984 2.076,985 77.346,986 21.95,987 8.598,988 3.015,991 5.077,993 49.56,994 459.267,995 41,1007 48.687,1008 54.939,1009 0.258,1010 0.639,1011 0.825,1012 0.922,1013 0.932,1014 0.932,1015 4.945,1016 1.405,1017 5.765,1018 4.156,1019 4.419,1020 5.047,1021 0.908,1022 6.532,1023 4.366,1024 6.147,1025 1.233,1026 7.292,1027 3.18,1028 3.892,1029 4.745,1031 7.322,1032 3.829,1033 7.44,1034 1.084,1035 8.917,1036 3.019,1037 5.969,1038 7.273,1039 0.739,1040 10.409,1041 5.875,1042 8.772,1043 1,1044 10.601,1045 2.546,1046 6.275,1047 7.851,1049 12.058,1050 6.174,1051 10.136,1052 0.654,1053 12.324,1054 2.136,1055 7.793,1056 9.808,1057 0.593,1058 14.635,1059 7.669,1060 11.526,1061 0.574,1062 14.074,1063 1.552,1064 8.5,1065 10.831,1067 16.652,1068 8.369,1069 12.935,1070 -0.187,1071 15.846,1072 1.347,1073 9.777,1074 12.53,1075 0.469,1076 19.049,1077 9.628,1078 3.103,1079 -0.353,1080 17.633,1081 -0.455,1082 10.685,1083 13.787,1085 21.228,1086 10.527,1087 2.802,1088 10.231,1089 19.432,1090 -0.856,1091 11.857,1092 15.367,1093 0.366,1094 23.563,1095 11.684,1096 2.626,1097 8.979,1098 21.243,1099 4.51,1100 12.866,1101 16.744,1103 25.813,1104 12.682,1105 2.353,1106 7.41,1107 23.061,1108 3.816,1109 13.995,1110 18.273,1111 0.283,1112 28.128,1113 13.797,1114 2.084,1115 6.836,1116 24.887,1117 3.455,1118 15.054,1119 19.71,1121 30.411,1122 14.845,1123 1.878,1124 5.447,1125 26.718,1126 3.098,1127 16.168,1128 21.219,1129 0.217,1130 32.721,1131 15.946,1132 1.521,1133 5.404,1134 28.555,1135 2.648,1136 17.254,1137 22.687,1139 35.021,1140 17.019,1141 9503,1142 14739,1143 20.572,1144 33.33,1145 45.076,1146 44.903,1147 45.31,1148 44.601,1149 44.634,1150 60.899,1151 1.72,1152 124.484,1153 43.349,1154 5.452,1155 5.148,1156 6.324,1157 5.149,1158 5.103,1159 7.51,1160 1.72,1161 16.757,1162 5.059,1163 9.54,1164 1.503,1165 1.497,1166 1.51,1167 1.487,1168 1.488,1169 2.03,1170 0.057,1171 4.149,1172 1.445,1173 4.123,1174 4.16,1175 4.088,1176 4.034,1177 5.096,1178 4.042,1179 3.932,1180 3.967,1181 3.856,1182 3.866,1183 5.023,1184 3.858,1185 3.841,1186 3.877,1187 3.794,1188 3.716,1189 4.909,1190 3.731,1191 3.574,1192 3.639,1193 3.448,1194 3.407,1195 4.735,1196 3.407,1197 3.401,1198 3.464,1199 3.299,1200 3.254,1201 4.399,1202 3.255,1203 3.061,1204 3.131,1205 2.932,1206 2.901,1207 4.296,1208 2.902,1209 2.983,1210 3.062,1211 2.838,1212 2.802,1213 3.905,1214 2.798,1215 2.854,1216 2.939,1217 2.687,1218 2.735,1219 3.753,1220 2.715,1221 0.152,1222 0.105,1223 0.217,1224 0.136,1225 0.103,1226 4.558,1227 0.15,1228 3.148,1229 0.029,1230 6.522,1231 0.341,1232 4.089,1233 0.102,1234 3.103,1235 4.51,1236 0.86,1237 10.231,1238 3.059,1239 1.988,1240 1.969,1241 2.067,1242 2.062,1243 1.258,1244 2.063,1245 1.924,1246 1.894,1247 2.055,1248 2.013,1249 1.213,1250 2.03,1251 1.735,1252 1.707,1253 1.849,1254 1.87,1255 0.967,1256 1.866,1257 1.544,1258 1.484,1259 1.765,1260 1.772,1261 0.899,1262 1.761,1263 1.49,1264 1.415,1265 1.697,1266 1.736,1267 0.733,1268 1.733,1269 1.05,1270 1.006,1271 1.306,1272 1.289,1273 0.496,1274 1.293,1275 0.965,1276 0.894,1277 1.231,1278 1.222,1279 0.249,1280 1.243,1281 0.886,1282 0.821,1283 1.181,1284 1.134,1285 0.218,1286 1.143,1287 4.111,1289 5.416,1290 2.398,1291 6.911,1292 4.727,1293 8.488,1294 6.804,1295 10.11,1297 2.019,1301 6.214,1303 1.226,1306 5.892,1308 -0.069,1314 31.542,1315 70.906,1316 175.783,1317 227.082,1318 253.611,1319 256.366,1320 256.366,1321 36.184,1322 7.525,1323 76.82,1324 76.82,1325 23,1326 12.403,1327 4.524,1328 3.585,1329 40.45,1330 116,1331 112,1332 0.167,1333 194.128,1334 322.51,1335 465.432,1336 20952,1338 18.64,1339 0.69,1340 0.564,1341 18.64,1342 15.222,1343 13.187,1344 0.44,1345 0.3,1346 8.921,1347 12.815,1348 8.673,1349 7.231,1350 13.187,1351 9.013,1352 11.767,1353 0.287,1354 0.165,1355 11.767,1356 6.751,1357 9.831,1358 0.185,1359 0.087,1360 9.831,1361 4.596,1362 8.13,1363 0.12,1364 0.046,1365 8.13,1366 3.152,1367 6.568,1368 0.079,1369 0.025,1370 6.568,1371 2.103,1372 0.269,1373 81.725,1374 0.22,1375 26.422,1376 0.44,1377 142,1378 362.671,1379 151.399,1380 360.498,1381 504.89,1382 340,1383 165,1384 381.652,1385 175.176,1386 391.422,1387 565.42,1388 368,1389 6.2}
{0 CHEMBL2002992,1 1.47,2 8.857,3 1.461,4 2.133,5 81.7,6 6.661,7 0.435,8 3.845,9 3.993,10 3.311,11 3.355,12 4.859,13 3.316,14 4.416,15 4.61,16 3.673,17 3.795,18 5.356,19 3.716,20 4.758,21 5.01,22 3.701,23 3.932,24 5.643,25 3.814,26 4.825,27 5.103,28 3.585,29 3.878,30 5.74,31 3.735,32 4.733,33 5.036,34 3.337,35 3.712,36 5.62,37 3.548,38 4.454,39 4.735,40 3.319,41 3.545,42 5.41,43 3.413,44 4.298,45 4.532,46 3.251,47 3.494,48 5.337,49 3.371,50 4.343,51 4.62,52 2.961,53 3.386,54 5.225,55 3.227,56 0.053,57 0.659,58 10.153,59 3.768,60 9.517,61 5.621,62 0.159,63 1.06,64 18.424,65 6.909,66 21.461,67 10.264,68 0.217,69 1.293,70 26.819,71 8.754,72 33.297,73 13.595,74 0.359,75 1.262,76 29.339,77 9.033,78 47.104,79 13.981,80 0.331,81 1.059,82 27.049,83 8.146,84 52.163,85 12.658,86 0.284,87 0.843,88 20.148,89 6.794,90 43.111,91 10.165,92 0.214,93 0.809,94 16.903,95 5.818,96 38.58,97 8.668,98 0.261,99 0.782,100 18.208,101 5.018,102 35.194,103 8.142,104 11,105 32,106 0.259,107 0.631,108 0.806,109 0.847,110 0.847,111 0.847,112 3.103,113 0.996,114 -2.99,115 -3,116 -2.89,119 37.2,120 1,121 4,122 2,127 1,142 2,143 1,144 1,145 1,151 1,158 1,161 1,163 1,164 1,165 1,172 7,175 3,178 2,180 7,183 8,185 2,188 3,193 5,196 6,198 2,200 4,203 1,204 1,205 5,208 4,210 2,213 2,218 2,221 6,223 1,224 1,225 1,228 1,230 1,233 6,238 3,240 1,241 1,242 1,243 3,245 1,246 4,250 2,255 2,258 1,264 1,269 3,272 2,274 2,276 537,277 14.137,278 14.137,279 14.137,280 14.137,281 14.137,282 12.85,283 12.427,284 8.271,285 14.318,286 11.327,287 11.327,288 11.327,289 11.327,290 11.327,291 9.367,292 15.179,293 3.872,294 11.6,295 3.956,296 1.844,297 0.855,298 0.622,299 0.622,300 0.622,301 3.781,304 1,305 1,306 1,307 401,308 3.082,311 45.061,312 124.582,315 85.554,319 1.497,320 19.576,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 45,332 186,333 4.516,334 3.718,335 6.525,336 4.041,337 3.068,338 4.459,339 1.907,340 10.271,341 2.986,342 3.977,343 3.052,344 6.061,345 3.844,346 2.847,347 3.166,348 0.149,349 8.689,350 2.835,351 3.686,352 2.782,353 5.865,354 3.59,355 2.596,356 2.807,358 7.986,359 2.576,360 3.423,361 2.17,362 5.197,363 3.015,364 2.066,365 2.657,367 6.226,368 1.957,369 3.048,370 2.045,371 4.27,372 2.515,373 1.548,374 2.321,376 3.882,377 1.504,378 2.719,379 1.548,380 4.042,381 2.497,382 1.511,383 1.694,385 3.561,386 1.469,387 2.5,388 1.318,389 3.684,390 2.039,391 1.053,392 1.5,394 2.642,395 1.033,396 2.152,397 1,398 3.414,399 2,400 1,401 1.118,403 2.275,404 1,405 2.046,406 1,407 3.406,408 1.964,409 1,410 1,412 2.232,413 0.962,414 2,415 0.859,416 3.182,417 1.56,418 0.601,419 0.844,421 1.506,422 0.573,423 1.213,424 0.291,425 2.634,426 0.784,427 -0.18,428 -0.229,430 -0.45,431 -0.173,432 0.634,433 -0.152,434 2.3,435 0.486,436 -0.532,437 -0.586,439 -1.215,440 -0.535,441 0.508,442 -0.602,443 2,444 0.099,445 -0.906,446 -1,448 -2,449 -0.907,450 0.5,451 -0.81,452 1.937,454 -1,455 -1,457 -2.262,458 -0.947,460 -1,461 1.749,462 -0.05,463 -1,464 -1.284,466 -2.439,467 -0.948,468 9.933,469 0.473,470 0.524,471 0.025,472 23.5,473 1.119,474 10,475 0.476,476 13.5,477 0.643,478 19.032,479 0.906,480 23.667,481 0.55,482 14.322,483 0.682,484 4.053,485 0.193,486 6.095,487 0.29,488 0.124,490 0.352,496 0.891,497 1.317,498 0.924,499 1.096,500 0.722,501 1.015,502 0.582,503 1.263,504 0.924,505 1.194,506 0.538,507 1.116,508 0.971,509 1.184,510 0.995,511 1.116,512 0.944,513 1.067,514 1.167,515 0.936,516 1.032,517 0.995,518 1.255,519 0.999,520 1.306,521 0.772,522 0.968,523 0.833,524 1.468,525 0.859,526 0.867,527 0.806,528 0.755,529 0.839,530 1.218,531 0.806,532 0.994,533 1.154,534 1.096,535 1.205,536 1.108,537 1.184,538 1.604,539 0.959,540 1.325,541 0.977,542 1.503,543 1.095,544 4,545 0.083,546 2.889,547 1.188,548 0.916,549 0.649,550 0.367,551 0.146,552 0.14,553 0.117,554 4466,555 9851,556 2.074,557 51.2,558 8,559 3,560 1,561 1,562 4,563 1,564 4,567 1.629,568 1.938,569 3.144,570 1.874,571 1,572 1,574 1,577 63.222,578 1.47,579 3.582,580 4.571,581 4.804,582 4.804,583 4.804,584 2.529,585 4.011,586 4.366,587 3.311,588 695.406,589 7.463,590 7410.69,592 1,594 1,595 233.329,596 1.418,597 4.322,598 0.174,599 0.009,600 0.09,601 0.038,602 0.035,603 0.032,604 0.017,605 0.008,606 0.011,607 0.012,608 0.427,609 0.5,610 1,611 0.819,612 95.155,613 -0.098,614 -0.003,615 0.029,616 0.063,617 -0.061,618 0.066,619 0.147,620 -0.09,621 0.018,622 -0.079,623 0.088,624 -0.054,625 -0.054,626 -0.167,627 -0.028,628 -0.105,629 -0.026,630 -0.069,631 -0.042,632 0.006,633 -0.04,634 -0.044,635 -0.06,636 -0.042,637 -0.116,638 0.088,639 0.03,640 0.094,641 -0.099,642 0.086,643 0.222,644 0.076,645 0.226,646 0.153,647 0.115,648 0.184,649 0.071,650 -0.13,651 -0.122,652 -0.171,653 0.086,654 -0.178,655 -0.341,656 0.016,657 -0.316,658 -0.064,659 -0.284,660 -0.171,661 1.549,662 5.437,663 0.714,664 14.939,665 0.993,666 1.138,667 1.764,668 3.113,669 0.636,670 3.178,671 3.497,672 3.761,673 3.97,674 4.111,675 4.174,676 4.22,677 4.159,678 4.143,679 4.22,680 5.478,681 0.594,682 286.42,683 3.178,684 4.71,685 5.557,686 6.425,687 7.287,688 8.158,689 9.024,690 9.896,691 10.765,692 11.638,693 9.3,694 1,700 1,701 1,703 1,708 2,709 4,710 1,711 1,714 1,716 10,735 43,737 11,739 23,741 45,742 16,743 7,748 3,749 4,754 1,757 4,758 2,760 5,762 8,763 8,764 2,767 1,772 1,776 1,779 1,780 1,783 22,784 4,785 4,786 5,792 4,797 0.667,798 1,809 1,811 1,815 1,816 2,819 1,829 1,836 1,843 2,847 1,851 21,852 1,858 4,860 1,863 3,874 2.3,877 1,881 10.833,882 7.533,883 4.611,884 2.749,886 2.042,887 1.304,888 0.973,889 4.155,890 8.754,891 3.401,892 3.956,893 4.512,894 5.066,895 5.468,896 5.756,897 6.06,898 6.365,899 6.04,900 6.236,901 0.833,902 31,903 7.805,905 3.349,906 7.675,907 15.218,909 12.989,911 2.175,912 45.667,913 0.001,916 211.88,917 67.76,918 84.479,920 25.145,923 67.76,924 237.025,925 84.479,926 8.825,927 61.046,928 28,929 60.122,930 31.163,931 11.771,932 188.338,934 211.88,935 152.239,936 25.145,939 164.795,940 72.229,943 97.42,944 38.034,945 16.786,947 211.88,948 109.624,949 67.76,952 211.88,953 21.888,954 45.873,955 34.796,956 74.828,957 211.88,958 109.624,959 67.76,961 0.585,962 0.345,963 0.176,964 0.086,965 16,966 7,967 0.067,968 3,969 1,970 1.133,971 3.365,972 158.862,973 0.133,974 15,975 86.239,981 14.394,982 6.062,983 3.053,984 1.753,985 92.838,986 7.329,987 4.23,988 3.055,991 0.834,993 67.693,994 389.264,995 29,1000 12.437,1004 0.117,1007 42.687,1008 48.939,1009 0.271,1010 0.66,1011 0.842,1012 0.885,1013 0.885,1014 0.885,1015 4.64,1016 1,1017 5.541,1018 2.642,1019 4.174,1020 4.64,1021 1.953,1022 6.34,1023 4.131,1024 5.819,1025 1,1026 7.099,1027 2.275,1028 3.761,1029 4.443,1030 1.593,1031 7.239,1032 3.717,1033 7.114,1034 0.601,1035 8.758,1036 2.232,1037 5.759,1038 6.804,1039 2.904,1040 10.305,1041 5.68,1042 8.445,1043 -0.18,1044 10.476,1045 1.506,1046 6.176,1047 7.519,1048 3.032,1049 12.024,1050 6.096,1051 9.812,1052 -0.532,1053 12.23,1054 -0.45,1055 7.635,1056 9.359,1057 4.037,1058 14.59,1059 7.525,1060 11.205,1061 -0.906,1062 14.009,1063 -1.215,1064 8.417,1065 10.5,1066 4.409,1067 16.635,1068 8.299,1069 12.617,1070 -1,1071 15.804,1072 -2,1073 9.659,1074 12.136,1075 5.25,1076 19.032,1077 9.516,1078 3.068,1079 -1,1080 17.611,1081 -2.262,1082 10.608,1083 13.476,1084 5.75,1085 21.22,1086 10.45,1087 2.847,1088 10.271,1089 19.427,1090 -2.439,1091 11.761,1092 15.029,1093 6.501,1094 23.558,1095 11.579,1096 2.596,1097 8.689,1098 21.25,1099 4.459,1100 12.788,1101 16.456,1102 7.068,1103 25.811,1104 12.585,1105 2.066,1106 7.986,1107 23.078,1108 3.166,1109 13.905,1110 17.975,1111 7.771,1112 28.131,1113 13.678,1114 1.548,1115 6.226,1116 24.91,1117 2.807,1118 14.968,1119 19.44,1120 8.374,1121 30.417,1122 14.719,1123 1.511,1124 3.882,1125 26.746,1126 2.657,1127 16.073,1128 20.945,1129 9.051,1130 32.734,1131 15.799,1132 1.053,1133 3.561,1134 28.585,1135 2.321,1136 17.155,1137 22.427,1138 9.674,1139 35.037,1140 16.856,1141 4350,1142 6588,1143 15.315,1144 27.33,1145 34.918,1146 35.472,1147 35.641,1148 34.564,1149 34.578,1150 43.135,1151 4.112,1152 98.539,1153 33.79,1154 5.516,1155 5.718,1156 6.087,1157 5.088,1158 5.068,1159 7.459,1160 3.306,1161 17.146,1162 4.986,1163 9.807,1164 1.518,1165 1.542,1166 1.55,1167 1.503,1168 1.503,1169 1.875,1170 0.179,1171 4.284,1172 1.469,1173 4.104,1174 4.148,1175 4.066,1176 3.98,1177 7.428,1178 3.996,1179 3.92,1180 3.972,1181 3.803,1182 3.812,1183 5.067,1184 3.802,1185 3.575,1186 3.639,1187 3.47,1188 3.391,1189 5.006,1190 3.398,1191 3.401,1192 3.473,1193 3.281,1194 3.242,1195 4.374,1196 3.244,1197 3.216,1198 3.281,1199 3.082,1200 2.976,1201 4.214,1202 2.991,1203 3.111,1204 3.206,1205 2.866,1206 2.941,1207 4.036,1208 2.91,1209 2.887,1210 2.98,1211 2.76,1212 2.665,1213 3.739,1214 2.677,1215 2.738,1216 2.894,1217 2.484,1218 2.411,1219 3.474,1220 2.425,1221 0.196,1222 0.162,1223 0.284,1224 0.176,1225 0.133,1226 4.516,1227 0.194,1228 3.718,1229 0.083,1230 6.525,1231 0.447,1232 4.041,1233 0.13,1234 3.068,1235 4.459,1236 1.907,1237 10.271,1238 2.986,1239 1.93,1240 1.888,1241 2.118,1242 2.072,1243 1.522,1244 2.086,1245 1.861,1246 1.824,1247 1.941,1248 1.996,1249 1.069,1250 1.985,1251 1.529,1252 1.465,1253 1.786,1254 1.756,1255 1.012,1256 1.763,1257 1.464,1258 1.395,1259 1.639,1260 1.692,1261 0.825,1262 1.688,1263 1.162,1264 1.098,1265 1.513,1266 1.439,1267 0.637,1268 1.429,1269 1.153,1270 1.064,1271 1.424,1272 1.376,1273 0.611,1274 1.428,1275 1.015,1276 0.958,1277 1.225,1278 1.185,1279 0.3,1280 1.208,1281 0.799,1282 0.7,1283 1.175,1284 1.153,1285 0.112,1286 1.183,1287 3.85,1289 5.165,1290 2.398,1291 6.673,1292 4.595,1293 8.267,1294 6.605,1295 9.905,1297 2.06,1301 5.952,1303 3.954,1305 3.055,1308 0.891,1314 25.542,1315 63.222,1316 154.026,1317 196.574,1318 206.574,1319 206.574,1320 206.574,1321 36.708,1322 6.712,1323 83.8,1324 83.8,1325 17,1326 12.179,1327 3.585,1328 2.807,1329 32.313,1330 69,1331 64,1332 0.232,1333 158.604,1334 266.07,1335 378.754,1336 6742,1338 14.82,1339 0.706,1340 0.586,1341 14.82,1342 12.303,1343 10.148,1344 0.441,1345 0.332,1346 7.558,1347 9.843,1348 7.385,1349 6.137,1350 10.148,1351 7.634,1352 9.178,1353 0.287,1354 0.189,1355 9.178,1356 6.059,1357 7.712,1358 0.184,1359 0.11,1360 7.712,1361 4.604,1362 6.244,1363 0.12,1364 0.062,1365 6.244,1366 3.212,1367 4.558,1368 0.076,1369 0.036,1370 4.558,1371 2.148,1372 0.363,1373 63.07,1374 0.256,1375 20.859,1376 0.638,1377 110,1378 267.359,1379 118.792,1380 263.357,1381 361.69,1382 246,1383 129,1384 268.96,1385 137.654,1386 272.754,1387 397.39,1388 258,1389 5.6}
{0 CHEMBL2003271,1 1.975,2 8.833,3 4.763,4 22.689,5 97.47,6 12.112,7 0.615,8 3.638,9 3.701,10 3.642,11 3.394,12 4.941,13 3.351,14 4.081,15 4.144,16 4.114,17 3.812,18 5.482,19 3.741,20 4.327,21 4.41,22 4.354,23 3.914,24 5.728,25 3.833,26 4.31,27 4.405,28 4.206,29 3.816,30 5.734,31 3.73,32 4.219,33 4.333,34 4.112,35 3.661,36 5.668,37 3.62,38 4.197,39 4.29,40 4.148,41 3.633,42 5.989,43 3.61,44 4.153,45 4.26,46 3.952,47 3.628,48 5.689,49 3.531,50 3.992,51 4.12,52 3.658,53 3.47,54 5.336,55 3.333,56 0.152,57 0.411,58 0.573,59 2.043,60 18.421,61 1.908,62 0.276,63 0.619,64 1.25,65 3.627,66 33.765,67 3.854,68 0.497,69 0.798,70 15.538,71 6.169,72 61.582,73 5.449,74 0.52,75 0.818,76 19.811,77 6.682,78 59.148,79 5.43,80 0.499,81 0.736,82 13.068,83 5.414,84 66.34,85 4.311,86 0.675,87 0.661,88 9.539,89 5.004,90 106.615,91 4.594,92 0.559,93 0.63,94 14.18,95 5.708,96 77.343,97 5.069,98 0.393,99 0.543,100 13.411,101 4.962,102 49.207,103 4.618,104 38,105 38,106 0.36,107 0.647,108 0.747,109 0.848,110 0.863,111 0.863,112 3.229,113 0.993,114 -4.97,115 -4.87,116 -4.57,119 48.5,142 6,143 2,144 4,152 2,158 2,163 1,164 1,165 1,172 5,175 1,177 1,178 2,180 2,183 11,188 3,193 4,196 10,198 1,200 4,203 1,204 1,205 5,207 1,208 4,210 1,213 2,218 3,221 4,223 1,224 1,225 6,227 1,228 1,230 4,233 6,235 3,238 5,243 3,246 8,248 3,250 2,255 2,258 9,260 2,272 5,276 834,277 15.637,278 15.637,279 15.637,280 15.637,281 15.637,282 13.37,283 14.113,284 8.886,285 16.14,286 12.757,287 12.757,288 12.757,289 12.757,290 12.757,291 9.306,292 16.802,293 4.178,294 13.806,295 3.069,296 1.493,297 0.94,298 0.387,299 0.303,300 0.303,301 3.901,302 3,305 1,306 1,307 448,308 3.317,311 50.849,312 137.672,315 96.7,319 1.208,320 35.233,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 52,332 212,333 4.751,334 3.662,335 7.014,336 4.265,337 3.328,338 4.716,339 1.058,340 11.963,341 3.108,342 4.183,343 3.518,344 6.175,345 3.802,346 2.813,347 3.759,348 0.98,349 8.853,350 2.782,351 4.041,352 3.398,353 6.014,354 3.6,355 2.675,356 3.544,358 8.482,359 2.457,360 3.659,361 2.908,362 5.482,363 3.191,364 2.284,365 3.021,367 6.617,368 2.017,369 3.55,370 2.794,371 5.119,372 3.05,373 2.14,374 2.913,376 6.096,377 1.842,378 3.317,379 2.147,380 4.997,381 2.826,382 1.898,383 2.625,385 5.663,386 1.701,387 2.873,388 2.05,389 4.403,390 2.397,391 1.465,392 1.958,394 3.971,395 1.314,396 2.689,397 1.953,398 4.006,399 2.142,400 1.164,401 1.659,403 3.015,404 1.087,405 2.5,406 1.344,407 3.637,408 2,409 1,410 1.5,412 2.275,413 1,414 2.303,415 1,416 3.414,417 1.697,418 0.832,419 1.179,421 2.169,422 0.679,423 1.465,424 0.857,425 2.847,426 0.915,427 0.19,428 0.229,430 0.423,431 0.11,432 1.161,433 0.527,434 2.787,435 0.765,436 -0.11,437 -0.132,439 -0.275,440 -0.082,441 1.11,442 0.387,443 2.424,444 0.58,445 -0.326,446 -0.431,448 -0.758,449 -0.245,450 0.624,451 0.103,452 2.254,453 0.085,454 -0.811,455 -1.075,457 -2,458 -0.588,459 0.5,460 -0.232,461 2,462 0.053,463 -1,464 -1.253,466 -2.226,467 -0.918,468 12.443,469 0.518,470 0.792,471 0.033,472 32.5,473 1.354,474 17.5,475 0.729,476 15,477 0.625,478 19.965,479 0.832,480 24.157,481 0.732,482 23.444,483 0.977,484 6.335,485 0.264,486 5.044,487 0.21,488 0.258,490 0.402,496 0.673,497 0.8,498 0.536,499 0.541,500 0.649,501 0.555,502 0.552,503 0.937,504 0.631,505 0.716,506 0.519,507 0.741,508 1.011,509 1.229,510 0.959,511 1.09,512 1.005,513 0.969,514 1.13,515 1.231,516 1.171,517 1.275,518 1.136,519 1.138,520 1.289,521 1.041,522 0.75,523 0.842,524 1.459,525 0.848,526 0.766,527 0.89,528 0.707,529 0.893,530 0.963,531 0.848,532 1.042,533 0.955,534 1.129,535 1.177,536 1.132,537 1.17,538 1.216,539 1.057,540 1.357,541 1.214,542 1.113,543 1.33,544 5.5,545 0.054,546 3.556,547 2.167,548 1.837,549 1.236,550 0.712,551 0.356,552 0.227,553 0.204,554 5529,555 25064,556 1.991,557 27.3,559 6,562 3,567 1.675,568 1.8,569 3.085,570 1.08,577 65.181,578 1.975,579 3.551,580 4.104,581 4.658,582 4.741,583 4.741,584 2.48,585 4.335,586 4.557,587 3.237,588 893.309,589 7.897,590 10210.3,592 1,595 166.465,596 1.555,597 4.478,598 0.212,599 0.008,600 0.094,601 0.054,602 0.051,603 0.037,604 0.021,605 0.013,606 0.011,607 0.016,608 0.517,609 0.33,610 1,611 0.882,612 111.842,613 -0.11,614 0.221,615 -0.02,616 0.15,617 -0.119,618 0.119,619 0.093,620 0.026,621 0.025,622 0.082,623 0.098,624 0.021,625 -0.098,626 -0.255,627 -0.009,628 -0.112,629 -0.109,630 -0.067,631 -0.147,632 -0.163,633 -0.199,634 -0.231,635 -0.142,636 -0.221,637 -0.218,638 0.02,639 0.052,640 0.079,641 -0.248,642 0.06,643 0.393,644 0.088,645 0.116,646 -0.005,647 0.41,648 0.049,649 -0.005,650 -0.026,651 -0.146,652 -0.155,653 0.008,654 -0.159,655 -0.275,656 -0.136,657 -0.291,658 -0.188,659 -0.208,660 -0.261,661 2.324,662 5.46,663 0.625,664 17.271,665 1.04,666 1.098,667 3.74,668 13.985,669 0.817,670 3.296,671 3.664,672 3.951,673 4.22,674 4.477,675 4.585,676 4.595,677 4.644,678 4.635,679 4.595,680 5.303,681 0.781,682 399.69,683 3.296,684 4.86,685 5.727,686 6.627,687 7.52,688 8.427,689 9.331,690 10.243,691 11.151,692 12.066,693 6.1,700 2,708 2,709 6,713 1,714 6,716 16,722 1,723 1,734 3,735 33,737 18,738 2,739 26,741 35,742 16,743 14,744 6,745 6,746 2,748 3,749 4,750 3,762 16,767 2,772 2,776 2,783 9,784 4,785 3,786 8,787 4,792 2,797 0.667,798 2,815 1,816 2,819 1,843 2,845 1,848 3,851 24,852 1,860 1,869 1,873 3,874 6.1,877 2,881 13.333,882 6.012,883 5.194,884 1.753,886 3.15,887 1.448,888 1.017,889 5.013,890 10.186,891 3.611,892 4.287,893 4.921,894 5.544,895 6.115,896 6.474,897 6.769,898 7.111,899 7.269,900 7.412,901 0.833,902 40,903 8.844,905 3.903,906 8.139,907 16.095,909 13.229,911 2.639,912 63.333,916 70.627,917 118.666,918 50.908,919 117.446,920 50.29,922 31.278,923 87.388,924 238.362,925 50.908,927 50.908,928 56.857,929 59.699,930 19.017,931 2.104,932 101.904,933 117.446,934 70.627,935 138.296,936 50.29,937 148.724,939 70.627,940 50.29,943 50.908,944 87.388,945 117.446,946 31.278,947 70.627,948 101.198,949 236.112,952 70.627,953 61.808,954 56.857,955 18.011,956 200.633,957 70.627,958 101.198,959 236.112,961 0.599,962 0.354,963 0.183,964 0.109,965 19,966 10,967 0.086,968 3,969 1,970 1.133,971 3.424,972 200.639,973 0.133,974 15,975 106.039,977 1,981 17.484,982 6.881,983 3.404,984 1.19,985 101.198,986 9.689,990 1.141,991 1.934,993 50.908,994 407.936,995 36,1000 24.198,1004 -1.07,1007 34.324,1008 36.243,1009 0.392,1010 0.704,1011 0.814,1012 0.923,1013 0.94,1014 0.94,1015 4.86,1016 1.164,1017 5.753,1018 3.971,1019 4.344,1020 4.973,1021 1.641,1022 6.616,1023 4.194,1024 6.118,1025 1,1026 7.356,1027 3.015,1028 4.111,1029 4.987,1031 7.639,1032 3.849,1033 7.461,1034 0.832,1035 9.058,1036 2.275,1037 5.994,1038 7.283,1039 1.677,1040 10.764,1041 5.738,1042 8.841,1043 0.19,1044 10.815,1045 2.169,1046 6.538,1047 8.099,1049 12.619,1050 6.179,1051 10.25,1052 -0.11,1053 12.609,1054 0.423,1055 7.953,1056 9.919,1057 1.719,1058 15.301,1059 7.593,1060 11.683,1061 -0.326,1062 14.429,1063 -0.275,1064 8.842,1065 11.113,1067 17.516,1068 8.391,1069 13.134,1070 -0.811,1071 16.268,1072 -0.758,1073 10.091,1074 12.753,1075 1.766,1076 20.054,1077 9.619,1078 3.328,1079 -1,1080 18.124,1081 -2,1082 11.139,1083 14.132,1085 22.424,1086 10.584,1087 2.813,1088 11.963,1089 19.993,1090 -2.226,1091 12.334,1092 15.706,1093 1.817,1094 24.916,1095 11.738,1096 2.675,1097 8.853,1098 21.872,1099 4.716,1100 13.455,1101 17.173,1103 27.35,1104 12.782,1105 2.284,1106 8.482,1107 23.761,1108 3.759,1109 14.636,1110 18.724,1111 1.874,1112 29.831,1113 13.908,1114 2.14,1115 6.617,1116 25.658,1117 3.544,1118 15.793,1119 20.234,1121 32.292,1122 14.99,1123 1.898,1124 6.096,1125 27.562,1126 3.021,1127 16.974,1128 21.779,1129 1.935,1130 34.771,1131 16.107,1132 1.465,1133 5.663,1134 29.471,1135 2.913,1136 18.149,1137 23.309,1139 37.243,1140 17.208,1141 5513,1142 11838,1143 16.531,1144 26.949,1145 40.2,1146 42.459,1147 42.058,1148 39.717,1149 39.576,1150 54.206,1151 4.076,1152 119.054,1153 36.196,1154 5.595,1155 5.662,1156 6.428,1157 5.395,1158 5.328,1159 7.716,1160 2.117,1161 19.386,1162 5.108,1163 14.748,1164 1.546,1165 1.633,1166 1.618,1167 1.528,1168 1.522,1169 2.085,1170 0.157,1171 4.579,1172 1.392,1173 4.103,1174 4.101,1175 4.39,1176 4.125,1177 7.438,1178 4.077,1179 3.907,1180 3.924,1181 3.999,1182 3.857,1183 7.428,1184 3.85,1185 3.54,1186 3.561,1187 3.91,1188 3.453,1189 5.068,1190 3.431,1191 3.325,1192 3.359,1193 3.508,1194 3.113,1195 4.93,1196 3.132,1197 3.077,1198 3.097,1199 3.402,1200 2.92,1201 4.883,1202 2.91,1203 2.928,1204 2.935,1205 3.272,1206 2.861,1207 4.527,1208 2.853,1209 2.854,1210 2.925,1211 3.038,1212 2.735,1213 4.43,1214 2.715,1215 2.634,1216 2.678,1217 2.857,1218 2.469,1219 4.28,1220 2.465,1221 0.183,1222 0.141,1223 0.27,1224 0.164,1225 0.128,1226 4.751,1227 0.181,1228 3.662,1229 0.041,1230 7.014,1231 0.46,1232 4.265,1233 0.12,1234 3.328,1235 4.716,1236 1.058,1237 11.963,1238 3.108,1239 1.923,1240 1.914,1241 1.984,1242 1.996,1243 1.147,1244 1.998,1245 1.882,1246 1.869,1247 1.91,1248 1.923,1249 1.07,1250 1.941,1251 1.561,1252 1.561,1253 1.561,1254 1.715,1255 0.729,1256 1.7,1257 1.177,1258 1.157,1259 1.311,1260 1.477,1261 0.254,1262 1.434,1263 0.942,1264 0.922,1265 1.181,1266 1.118,1267 0.218,1268 1.124,1269 0.904,1270 0.898,1271 1.062,1272 1.062,1273 0.167,1274 1.107,1275 0.886,1276 0.821,1277 0.84,1278 0.918,1280 0.984,1281 0.638,1282 0.591,1283 0.79,1284 0.808,1286 0.846,1287 3.97,1289 5.323,1290 2.398,1291 6.866,1292 4.844,1293 8.497,1294 7.066,1295 10.177,1298 18.121,1301 5.427,1305 2.703,1314 25.776,1315 65.181,1316 117.181,1317 135.445,1318 153.71,1319 156.465,1320 156.465,1321 55.18,1322 7.036,1323 72.19,1324 100.43,1325 17,1326 12.579,1327 4.248,1328 3.459,1329 39.008,1330 73,1331 90,1332 0.259,1333 173.432,1334 295.54,1335 414.934,1336 9417,1337 9.1,1338 17.43,1339 0.726,1340 0.624,1341 19.284,1342 14.984,1343 11.38,1344 0.438,1345 0.331,1346 6.761,1347 9.848,1348 6.454,1349 5.279,1350 12.654,1351 8.605,1352 10.792,1353 0.284,1354 0.188,1355 12.52,1356 7.14,1357 9.027,1358 0.177,1359 0.109,1360 11.195,1361 5.54,1362 7.14,1363 0.107,1364 0.057,1365 8.795,1366 3.822,1367 5.943,1368 0.068,1369 0.033,1370 7.699,1371 2.832,1372 0.392,1373 83.74,1374 0.246,1375 22.899,1376 0.755,1377 128,1378 438.587,1379 207.691,1380 537.551,1381 690.26,1382 494,1383 153,1384 410.702,1385 224.924,1386 462.711,1387 683.5,1388 435,1389 5.5}
{0 CHEMBL2003286,1 1.832,2 7.235,3 1.659,4 2.751,5 64.378,6 9.665,7 0.333,8 3.403,9 3.464,10 3.224,11 2.99,12 4.733,13 2.98,14 3.839,15 3.925,16 3.644,17 3.321,18 5.228,19 3.304,20 3.951,21 4.034,22 3.531,23 3.312,24 5.417,25 3.294,26 3.928,27 4.069,28 3.316,29 3.21,30 5.381,31 3.151,32 3.89,33 4.061,34 3.206,35 3.161,36 5.121,37 3.066,38 3.767,39 3.934,40 3.158,41 2.955,42 5.083,43 2.903,44 3.584,45 3.759,46 3.067,47 2.604,48 5.055,49 2.614,50 3.193,51 3.268,52 2.626,53 2.261,54 5.035,55 2.249,56 0.15,57 0.352,58 3.354,59 2.487,60 16.19,61 2.119,62 0.324,63 0.542,64 8.097,65 4.014,66 27.997,67 3.583,68 0.402,69 0.56,70 10.062,71 4.8,72 46.354,73 4.078,74 0.434,75 0.542,76 8.913,77 4.446,78 62.319,79 4.375,80 0.385,81 0.541,82 12.746,83 4.887,84 48.07,85 4.807,86 0.318,87 0.481,88 10.352,89 3.956,90 39.262,91 3.84,92 0.403,93 0.369,94 9.539,95 3.103,96 51.307,97 3.05,98 0.34,99 0.256,100 8.526,101 2.484,102 44.84,103 1.834,104 18,105 25,106 0.363,107 0.768,108 0.859,109 0.896,110 0.896,111 0.896,112 2.908,113 0.922,114 -1.99,115 -2.04,116 -2.03,119 42.3,124 1,135 1,138 1,142 3,143 1,144 2,158 1,159 1,172 4,175 2,178 2,180 2,183 5,188 4,191 1,193 3,196 3,199 1,200 4,205 2,208 2,213 3,218 3,221 1,225 4,230 1,237 1,238 1,241 1,243 1,249 1,253 1,254 1,267 1,276 296,277 11.179,278 11.179,279 11.179,280 11.179,281 11.179,282 9.949,283 10.216,284 6.469,285 11.594,286 8.799,287 8.799,288 8.799,289 8.799,290 8.799,291 6.782,292 8.592,293 2.993,294 9.368,295 2.869,296 0.827,297 0.366,298 0.183,299 0.183,300 0.183,301 3.554,305 1,306 1,307 252,308 2.236,311 47.816,312 55.594,319 1.073,320 26.231,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 38.5,332 123,333 4.322,334 4.802,335 6.165,336 3.917,337 2.967,338 3.938,339 4.337,340 9.153,341 2.819,342 4.161,343 3.599,344 6.047,345 3.764,346 2.819,347 3.562,348 1.058,349 8.667,350 2.649,351 3.567,352 3.137,353 5.218,354 3.18,355 2.209,356 2.855,357 0.86,358 6.508,359 2.128,360 3.286,361 3.099,362 4.748,363 2.817,364 1.829,365 2.43,366 0.508,367 5.063,368 1.757,369 2.885,370 2.267,371 4.208,372 2.463,373 1.531,374 2.022,376 3.838,377 1.42,378 2.754,379 1.981,380 4.124,381 2.191,382 1.265,383 1.676,385 3.509,386 1.137,387 1.74,388 1.525,389 2.993,390 1.43,391 0.543,392 0.63,394 0.961,395 0.476,396 1.346,397 0.941,398 2.84,399 1.038,400 0.131,401 0.151,403 0.279,404 0.117,405 1,406 0.809,407 2.278,408 0.553,409 -0.383,410 -0.483,412 -0.883,413 -0.342,414 0.968,415 0.545,416 2,417 0.442,418 -0.605,419 -0.869,421 -1.375,422 -0.627,423 0.585,424 0.079,425 2,426 0.143,427 -0.82,428 -1.079,430 -2.131,431 -0.775,432 0.365,433 -0.499,434 1.682,435 -0.007,436 -1,437 -1.263,439 -2.608,440 -0.951,441 -0.037,442 -0.644,443 1.307,444 -0.427,445 -1.386,446 -1.899,448 -3.582,449 -1.304,450 -0.414,451 -1.02,452 1.187,453 -0.714,454 -1.635,455 -2,457 -4.603,458 -1.452,459 -0.5,460 -1.261,461 1.033,462 -0.814,463 -1.716,464 -2,465 -0.735,466 -4.895,467 -1.513,468 8.067,469 0.475,470 0.489,471 0.029,472 22.25,473 1.309,474 11.5,475 0.676,476 10.75,477 0.632,478 10.516,479 0.619,480 18.333,481 0.705,482 14.929,483 0.878,484 4.614,485 0.271,486 3.483,487 0.205,488 0.186,490 0.372,496 0.842,497 1.005,498 0.697,499 0.814,500 0.705,501 0.76,502 0.781,503 0.933,504 0.733,505 0.901,506 0.626,507 0.76,508 0.968,509 1.158,510 1.066,511 1.232,512 1.025,513 1.147,514 0.907,515 0.965,516 0.844,517 0.885,518 0.72,519 1.1,520 0.95,521 0.972,522 1.125,523 1,524 0.818,525 1.025,526 0.95,527 1.168,528 0.979,529 1.13,530 0.987,531 1.104,532 1.019,533 0.847,534 0.673,535 0.802,536 1.26,537 0.713,538 1.057,539 1.47,540 2.193,541 1.93,542 1.175,543 1.45,544 4.5,546 2,547 1.604,548 0.733,549 0.452,550 0.319,551 0.255,552 0.132,554 2189,555 9303,556 1.96,557 34.6,559 7,562 2,567 1.569,568 1.789,569 2.899,570 0.526,574 1,577 47.628,578 1.832,579 3.873,580 4.335,581 4.518,582 4.518,583 4.518,584 2.257,585 3.572,586 4.062,587 2.995,588 407.317,589 6.864,590 3699.83,592 1,594 1,595 122.211,596 1.549,597 3.989,598 0.25,600 0.08,601 0.07,602 0.041,603 0.028,604 0.023,605 0.021,606 0.017,608 0.529,609 0.67,610 1,611 0.972,612 70.246,613 -0.146,614 0.039,615 0.01,616 0.098,617 -0.125,618 0.071,619 0.037,620 0.097,621 0.172,622 0.097,623 0.02,624 0.138,625 -0.038,626 -0.218,627 -0.177,628 -0.255,629 -0.098,630 -0.241,631 -0.027,632 -0.061,633 -0.043,634 -0.022,635 0.088,636 -0.136,637 -0.131,638 -0.037,639 -0.065,640 0.025,641 -0.061,642 0.039,643 -0.091,644 -0.207,645 0.026,646 -0.172,647 -0.094,648 -0.088,649 0.153,650 0.08,651 0.395,652 0.131,653 -0.04,654 0.309,655 0.351,656 -0.41,657 -0.683,658 -0.617,659 0.327,660 -0.532,661 2.077,662 4.309,663 0.647,664 10.201,665 1.039,666 1.112,667 0.758,668 0.574,669 0.712,670 2.944,671 3.258,672 3.466,673 3.664,674 3.738,675 3.611,676 3.689,677 3.714,678 3.638,679 3.434,680 4.52,681 0.699,682 251.28,683 2.944,684 4.466,685 5.293,686 6.159,687 7.004,688 7.869,689 8.72,690 9.584,691 10.439,692 11.301,693 3.8,700 1,709 3,714 3,716 6,732 1,733 1,735 26,737 9,738 1,739 18,741 27,742 11,743 6,744 3,745 3,746 3,748 2,749 2,762 10,763 1,767 3,772 2,774 1,776 3,780 1,783 9,784 5,785 2,786 6,787 1,792 1,794 1,797 1,798 4,815 1,816 1,834 2,840 1,843 2,845 1,847 1,851 17,857 1,860 1,861 1,862 1,874 15.4,876 1,877 2,879 1,881 9.5,882 4.95,883 3.806,884 1.286,886 1.909,887 1.322,888 0.921,889 3.402,890 7.841,891 3.219,892 3.773,893 4.252,894 4.735,895 5.197,896 5.338,897 5.641,898 5.921,899 6.055,900 5.973,901 0.8,902 23,903 6.245,905 2.662,906 8.314,907 11.253,909 8.804,911 2.814,912 47.833,913 0.001,916 82.398,917 98.762,918 18.011,920 103.973,922 32.22,923 66.542,924 186.371,925 18.011,926 10.883,927 18.011,928 37.905,929 99.229,930 19.429,931 3.07,932 114.617,934 82.398,935 84.553,936 103.973,937 32.22,939 82.398,940 103.973,943 18.011,944 55.515,945 11.027,946 32.22,947 82.398,948 121.984,949 98.762,952 82.398,953 49.974,954 48.788,955 18.011,956 103.973,957 82.398,958 121.984,959 98.762,961 0.583,962 0.342,963 0.177,964 0.087,965 12,966 6,967 0.074,968 2,970 1,971 2.892,972 113.236,974 11,975 69.487,977 1,981 12.014,982 4.814,983 2.623,985 121.984,986 4.672,991 1.01,993 60.694,994 303.143,995 24,1000 22.266,1002 1.562,1004 -0.471,1007 27.022,1008 28.917,1009 0.39,1010 0.824,1011 0.922,1012 0.961,1013 0.961,1014 0.961,1015 4.449,1016 0.131,1017 5.293,1018 0.961,1019 3.932,1020 4.454,1021 3.703,1022 6.075,1023 3.819,1024 5.664,1025 -0.383,1026 6.845,1027 0.279,1028 3.611,1029 4.35,1030 2.89,1031 6.899,1032 3.46,1033 6.976,1034 -0.605,1035 8.488,1036 -0.883,1037 5.509,1038 6.585,1039 6.422,1040 9.933,1041 5.296,1042 8.318,1043 -0.82,1044 10.18,1045 -1.375,1046 5.943,1047 7.203,1048 6.24,1049 11.519,1050 5.666,1051 9.685,1052 -1,1053 11.901,1054 -2.131,1055 7.354,1056 8.978,1057 9.282,1058 14.059,1059 7.039,1060 11.07,1061 -1.386,1062 13.643,1063 -2.608,1064 8.132,1065 9.934,1066 9.437,1067 15.977,1068 7.741,1069 12.467,1070 -1.635,1071 15.4,1072 -3.582,1073 9.345,1074 11.508,1075 12.158,1076 18.321,1077 8.92,1078 2.967,1079 -1.716,1080 17.168,1081 -4.603,1082 10.282,1083 12.639,1084 12.55,1085 20.389,1086 9.782,1087 2.819,1088 9.153,1089 18.944,1090 -4.895,1091 11.412,1092 14.115,1093 15.039,1094 22.65,1095 10.875,1096 2.209,1097 8.667,1098 20.727,1099 3.938,1100 12.421,1101 15.341,1102 15.615,1103 24.787,1104 11.814,1105 1.829,1106 6.508,1107 22.515,1108 3.562,1109 13.517,1110 16.764,1111 17.926,1112 27.013,1113 12.868,1114 1.531,1115 5.063,1116 24.308,1117 2.855,1118 14.559,1119 18.044,1120 18.648,1121 29.182,1122 13.846,1123 1.265,1124 3.838,1125 26.104,1126 2.43,1127 15.64,1128 19.439,1129 20.819,1130 31.392,1131 14.882,1132 0.543,1133 3.509,1134 27.902,1135 2.022,1136 16.698,1137 20.751,1138 21.659,1139 33.576,1140 15.881,1141 2278,1142 4792,1143 11.444,1144 18.517,1145 26.789,1146 30.238,1147 28.243,1148 26.49,1149 26.587,1150 34.526,1151 13.527,1152 75.954,1153 25.003,1154 5.098,1155 6.802,1156 5.688,1157 5.002,1158 4.967,1159 6.938,1160 8.335,1161 15.413,1162 4.819,1163 9.689,1164 1.488,1165 1.68,1166 1.569,1167 1.472,1168 1.477,1169 1.918,1170 0.752,1171 4.22,1172 1.389,1173 3.954,1174 3.966,1175 4.075,1176 3.892,1177 7.449,1178 3.886,1179 3.711,1180 3.716,1181 3.824,1182 3.607,1183 7.409,1184 3.582,1185 3.264,1186 3.323,1187 3.146,1188 3.004,1189 6.47,1190 3.023,1191 3.104,1192 3.135,1193 3.015,1194 2.897,1195 4.782,1196 2.906,1197 2.847,1198 2.842,1199 2.941,1200 2.629,1201 4.417,1202 2.625,1203 2.763,1204 2.804,1205 2.648,1206 2.559,1207 4.067,1208 2.584,1209 2.591,1210 2.618,1211 2.564,1212 2.357,1213 3.644,1214 2.347,1215 2.083,1216 2.162,1217 2.093,1218 1.676,1219 3.482,1220 1.646,1221 0.24,1222 0.267,1223 0.343,1224 0.218,1225 0.165,1226 4.322,1227 0.219,1228 4.802,1229 0.241,1230 6.165,1231 0.508,1232 3.917,1233 0.157,1234 2.967,1235 3.938,1236 4.337,1237 9.153,1238 2.819,1239 1.903,1240 1.89,1241 1.986,1242 1.993,1243 1.099,1244 1.991,1245 1.446,1246 1.442,1247 1.586,1248 1.662,1249 0.629,1250 1.615,1251 1.223,1252 1.213,1253 1.487,1254 1.522,1255 0.555,1256 1.525,1257 1.178,1258 1.111,1259 1.239,1260 1.405,1261 0.173,1262 1.411,1263 0.83,1264 0.807,1265 1.081,1266 1.069,1267 0.154,1268 1.045,1269 0.756,1270 0.71,1271 0.892,1272 0.982,1274 1,1275 0.316,1276 0.282,1277 0.568,1278 0.732,1280 0.693,1283 0.472,1284 0.392,1286 0.422,1287 3.611,1289 4.92,1290 2.398,1291 6.409,1292 4.727,1293 7.977,1294 6.763,1295 9.587,1297 1.437,1302 9.406,1305 2.163,1306 4.945,1307 0.844,1314 18.175,1315 47.628,1316 100.702,1317 112.702,1318 117.457,1319 117.457,1320 117.457,1321 33.939,1322 5.932,1323 79.39,1324 107.63,1325 11,1326 11.851,1327 3.322,1328 2.807,1329 28.453,1330 46,1331 38,1332 0.316,1333 117.845,1334 212.07,1335 279.302,1336 2232,1338 12.414,1339 0.73,1340 0.571,1341 12.767,1342 9.706,1343 8.097,1344 0.45,1345 0.307,1346 4.688,1347 7.224,1348 4.5,1349 3.744,1350 8.505,1351 5.534,1352 7.374,1353 0.295,1354 0.172,1355 8.103,1356 4.298,1357 5.916,1358 0.191,1359 0.095,1360 6.636,1361 2.954,1362 4.725,1363 0.124,1364 0.054,1365 5.493,1366 2.039,1367 3.382,1368 0.082,1369 0.028,1370 3.936,1371 1.158,1372 0.482,1373 55.917,1374 0.296,1375 17.037,1376 0.9,1377 86,1378 346.55,1379 124.754,1380 344.625,1381 449.18,1382 318,1383 99,1384 294.845,1385 130.456,1386 313.171,1387 455.01,1388 291,1389 5.1}
{0 CHEMBL2003341,1 1.668,2 11.077,3 3.808,4 14.497,5 102.699,6 9.221,7 0.643,8 3.836,9 3.928,10 3.573,11 3.485,12 5.047,13 3.457,14 4.306,15 4.427,16 3.945,17 3.866,18 5.519,19 3.813,20 4.587,21 4.753,22 4.013,23 4.003,24 5.749,25 3.917,26 4.62,27 4.8,28 4.097,29 3.952,30 5.837,31 3.866,32 4.637,33 4.829,34 3.938,35 3.88,36 5.919,37 3.79,38 4.521,39 4.711,40 3.854,41 3.776,42 5.803,43 3.68,44 4.322,45 4.507,46 3.743,47 3.597,48 5.681,49 3.523,50 4.166,51 4.358,52 3.555,53 3.481,54 5.371,55 3.39,56 0.074,57 0.531,58 5.607,59 3.429,60 11.672,61 4.004,62 0.191,63 0.844,64 10.725,65 5.711,66 25.456,67 6.757,68 0.334,69 1.071,70 22.505,71 8.464,72 43.787,73 10.212,74 0.366,75 1.107,76 24.228,77 8.749,78 50.821,79 10.284,80 0.569,81 1.066,82 27.855,83 9.262,84 85.22,85 10.869,86 0.516,87 0.929,88 28.432,89 8.57,90 70.367,91 9.947,92 0.412,93 0.776,94 20.061,95 6.791,96 58.291,97 7.886,98 0.247,99 0.681,100 14.456,101 5.705,102 37.668,103 6.687,104 18,105 38,106 0.29,107 0.597,108 0.72,109 0.813,110 0.829,111 0.829,112 3.304,113 0.933,114 -4.5,115 -4.43,116 -4.17,119 47.6,125 1,127 1,142 9,143 4,144 2,145 2,158 1,172 11,175 3,178 1,180 2,183 18,188 3,192 1,193 5,196 12,200 4,205 4,208 9,213 5,216 1,218 5,221 6,225 3,230 6,233 6,238 6,243 4,246 8,255 1,258 9,263 1,267 1,269 1,272 10,276 1016,277 17.524,278 17.524,279 17.524,280 17.524,281 17.524,282 15.244,283 11.666,284 10.411,285 17.921,286 13.764,287 13.764,288 13.764,289 13.764,290 13.764,291 10.371,292 15.34,293 4.873,294 14.47,295 3.725,296 1.955,297 1.251,298 0.714,299 0.619,300 0.619,301 3.984,302 2,304 1,305 1,306 1,307 610,308 3.317,312 290.354,319 1.846,320 28.424,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 55.667,332 288,333 4.297,334 3.592,335 6.244,336 3.957,337 2.976,338 3.928,339 1.081,340 9.409,341 2.934,342 4.23,343 3.234,344 6.149,345 3.861,346 2.876,347 3.85,348 0.473,349 9.076,350 2.818,351 4.029,352 2.86,353 5.95,354 3.662,355 2.67,356 3.509,358 8.363,359 2.644,360 3.594,361 2.824,362 5.282,363 3.254,364 2.341,365 2.862,367 6.688,368 2.061,369 3.369,370 2.623,371 4.618,372 2.873,373 1.893,374 2.715,376 4.963,377 1.845,378 3.232,379 2.124,380 4.554,381 2.707,382 1.879,383 2.481,385 4.77,386 1.441,387 2.921,388 1.716,389 4.319,390 2.454,391 1.486,392 2.042,394 4.008,395 1.421,396 2.602,397 1.619,398 3.895,399 2.207,400 1.248,401 1.637,403 2.976,404 1.179,405 2.5,406 1.129,407 3.482,408 2,409 1.007,410 1.5,412 2.498,413 1,414 2.5,415 1.03,416 3.414,417 1.986,418 1,419 1.5,421 2.275,422 0.983,423 2.453,424 1,425 3.247,426 1.984,427 1,428 1.384,430 2.136,431 0.978,432 1.361,433 1,434 2.706,435 1.136,436 0.239,437 0.259,439 0.362,440 0.211,441 1.044,442 0.281,443 2.612,444 0.632,445 -0.347,446 -0.445,448 -0.841,449 -0.229,450 1,451 0.173,452 2.382,453 0.473,454 -0.356,455 -0.457,457 -0.891,458 -0.283,459 0.909,460 0.145,461 2.319,462 0.469,463 -0.46,464 -0.589,466 -1.158,467 -0.362,468 12.895,469 0.496,470 0.609,471 0.023,472 35.5,473 1.365,474 19.5,475 0.75,476 16,477 0.615,478 19.391,479 0.746,480 26.705,481 0.636,482 26.131,483 1.005,484 7.237,485 0.278,486 5.326,487 0.205,488 0.162,490 0.31,496 0.722,497 1.044,498 0.548,499 0.762,500 0.719,501 0.763,502 0.755,503 1.072,504 0.681,505 0.852,506 0.722,507 0.911,508 0.905,509 1.042,510 0.992,511 1.028,512 0.881,513 1.039,514 0.985,515 1.136,516 0.688,517 0.972,518 1.12,519 1.02,520 1.116,521 0.989,522 0.982,523 1.035,524 1.293,525 1.022,526 1.129,527 0.959,528 1.198,529 1.161,530 1.215,531 1.073,532 1.006,533 0.982,534 0.878,535 1.03,536 1.09,537 0.963,538 1.163,539 0.985,540 0.768,541 0.816,542 1.308,543 0.89,544 5.5,545 0.087,546 2.889,547 1.625,548 1.307,549 0.917,550 0.527,551 0.306,552 0.254,553 0.164,554 8206,555 28370,556 2.037,557 38.1,559 12,561 2,562 2,567 1.688,568 1.902,569 3.437,570 0.251,572 1,577 70.039,578 1.668,579 3.438,580 4.142,581 4.678,582 4.773,583 4.773,584 2.888,585 4.085,586 4.673,587 3.624,588 1177.78,589 8.082,590 15032,592 1,594 1,595 226.477,596 1.42,597 4.628,598 0.196,599 0.005,600 0.076,601 0.042,602 0.036,603 0.028,604 0.018,605 0.012,606 0.012,607 0.009,608 0.434,609 0.17,610 1,611 0.777,612 128.549,613 -0.082,614 0.018,615 -0.008,616 0.062,617 -0.11,618 0.049,619 -0.035,620 -0.018,621 -0.032,622 0.006,623 -0.039,624 -0.058,625 -0.065,626 -0.042,627 -0.114,628 -0.087,629 -0.066,630 -0.094,631 -0.026,632 -0.143,633 0.121,634 -0.032,635 -0.053,636 -0.065,637 0.028,638 -0.033,639 -0.035,640 -0.048,641 -0.002,642 -0.032,643 0.025,644 -0.027,645 -0.09,646 -0.142,647 0.011,648 -0.064,649 0.121,650 -0.035,651 0.074,652 -0.042,653 0.161,654 0.027,655 -0.128,656 -0.019,657 0.09,658 0.156,659 -0.115,660 0.097,661 1.957,662 5.507,663 0.692,664 24.544,665 1.014,666 1.11,667 3.269,668 10.686,669 0.732,670 3.367,671 3.664,672 3.892,673 4.111,674 4.29,675 4.277,676 4.317,677 4.29,678 4.344,679 4.369,680 6.662,681 0.699,682 387.28,683 3.367,684 4.89,685 5.72,686 6.581,687 7.425,688 8.288,689 9.137,690 10,691 10.851,692 11.714,693 4.8,700 1,703 1,709 11,710 1,714 6,716 18,723 1,734 2,735 42,737 19,738 2,739 28,741 44,742 20,743 17,744 5,745 7,746 1,748 3,749 3,750 2,754 1,760 1,762 18,763 2,767 1,772 1,776 1,780 1,783 16,784 4,785 2,786 6,787 2,792 2,797 1,798 2,799 1,809 1,816 3,841 1,843 3,848 2,851 26,857 1,858 1,860 1,863 1,873 2,874 4.8,875 1,877 1,881 13.667,882 7.352,883 5.833,884 2.312,886 3.036,887 1.436,888 0.959,889 6.017,890 10.002,891 3.664,892 4.241,893 4.785,894 5.322,895 5.829,896 5.95,897 6.277,898 6.465,899 6.768,900 7.037,901 1,902 39,903 9.579,905 4.064,906 7.932,907 17.865,909 14.395,911 2.432,912 63.222,915 1,916 164.795,917 127.829,918 34.796,919 78.297,920 67.828,923 127.829,924 310.921,925 34.796,927 18.011,928 127.97,929 70.177,930 37.838,932 141.253,933 78.297,934 164.795,935 162.626,936 67.828,937 78.297,939 164.795,940 25.145,941 42.683,943 36.106,944 109.734,945 95.083,947 164.795,948 102.625,949 206.127,952 164.795,953 24.448,954 103.381,955 18.011,956 162.911,957 164.795,958 102.625,959 206.127,961 0.574,962 0.334,963 0.181,964 0.097,965 17,966 8,967 0.114,968 5,970 1,971 3.806,972 208.764,974 18,975 108.211,981 18.554,982 8.432,983 4.697,985 102.625,986 19.399,987 3.993,991 4.044,993 60.694,994 473.546,995 38,1000 12.507,1004 -0.29,1007 42.574,1008 46.625,1009 0.309,1010 0.638,1011 0.768,1012 0.868,1013 0.885,1014 0.885,1015 4.871,1016 1.248,1017 5.694,1018 4.008,1019 4.344,1020 4.927,1021 1.331,1022 6.463,1023 4.257,1024 6.07,1025 1.007,1026 7.229,1027 2.976,1028 3.892,1029 4.605,1031 7.273,1032 3.73,1033 7.36,1034 1,1035 8.861,1036 2.498,1037 5.9,1038 7.07,1039 1.343,1040 10.332,1041 5.771,1042 8.681,1043 1,1044 10.549,1045 2.275,1046 6.236,1047 7.509,1049 11.939,1050 6.073,1051 10.03,1052 0.239,1053 12.273,1054 2.136,1055 7.718,1056 9.461,1057 1.438,1058 14.493,1059 7.567,1060 11.399,1061 -0.347,1062 14.02,1063 0.362,1064 8.426,1065 10.282,1067 16.434,1068 8.257,1069 12.784,1070 -0.356,1071 15.783,1072 -0.841,1073 9.678,1074 11.98,1075 1.555,1076 18.793,1077 9.51,1078 2.976,1079 -0.46,1080 17.559,1081 -0.891,1082 10.569,1083 13.015,1085 20.882,1086 10.387,1087 2.876,1088 9.409,1089 19.344,1090 -1.158,1091 11.717,1092 14.572,1093 1.679,1094 23.159,1095 11.529,1096 2.67,1097 9.076,1098 21.136,1099 3.928,1100 12.697,1101 15.733,1103 25.317,1104 12.497,1105 2.341,1106 8.363,1107 22.932,1108 3.85,1109 13.799,1110 17.208,1111 1.807,1112 27.56,1113 13.59,1114 1.893,1115 6.688,1116 24.733,1117 3.509,1118 14.824,1119 18.445,1121 29.75,1122 14.602,1123 1.879,1124 4.963,1125 26.537,1126 2.862,1127 15.906,1128 19.872,1129 1.939,1130 31.98,1131 15.672,1132 1.486,1133 4.77,1134 28.344,1135 2.715,1136 16.953,1137 21.155,1139 34.185,1140 16.706,1141 7974,1142 14952,1143 18.493,1144 30.727,1145 41.605,1146 42.764,1147 42.594,1148 41.533,1149 41.231,1150 55.332,1151 3.107,1152 115.047,1153 39.031,1154 5.178,1155 5.592,1156 6.046,1157 4.993,1158 4.976,1159 6.928,1160 2.162,1161 15.916,1162 4.934,1163 13.019,1164 1.486,1165 1.527,1166 1.521,1167 1.483,1168 1.473,1169 1.976,1170 0.111,1171 4.109,1172 1.394,1173 4.016,1174 4.041,1175 4.098,1176 3.954,1177 7.429,1178 3.952,1179 3.925,1180 3.946,1181 3.946,1182 3.88,1183 6.456,1184 3.871,1185 3.746,1186 3.782,1187 3.7,1188 3.639,1189 5.018,1190 3.645,1191 3.501,1192 3.548,1193 3.582,1194 3.321,1195 4.925,1196 3.33,1197 3.183,1198 3.208,1199 3.488,1200 2.973,1201 4.647,1202 2.998,1203 2.901,1204 2.925,1205 3.139,1206 2.849,1207 4.632,1208 2.815,1209 2.854,1210 2.925,1211 2.903,1212 2.735,1213 4.191,1214 2.715,1215 2.854,1216 2.918,1217 2.687,1218 2.735,1219 3.841,1220 2.715,1221 0.153,1222 0.128,1223 0.223,1224 0.141,1225 0.106,1226 4.297,1227 0.14,1228 3.592,1229 0.039,1230 6.244,1231 0.336,1232 3.957,1233 0.105,1234 2.976,1235 3.928,1236 1.081,1237 9.409,1238 2.934,1239 1.978,1240 1.957,1241 2.068,1242 2.06,1243 1.211,1244 2.064,1245 1.908,1246 1.89,1247 1.979,1248 1.985,1249 1.161,1250 1.994,1251 1.717,1252 1.683,1253 1.835,1254 1.845,1255 0.869,1256 1.845,1257 1.439,1258 1.392,1259 1.627,1260 1.654,1261 0.809,1262 1.654,1263 1.075,1264 1.05,1265 1.235,1266 1.358,1267 0.254,1268 1.318,1269 0.886,1270 0.827,1271 1.181,1272 1.062,1273 0.218,1274 1.107,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.849,1282 0.821,1283 1.038,1284 1.014,1285 0.151,1286 1.024,1287 4.043,1289 5.342,1291 6.838,1293 8.418,1295 10.039,1298 11.994,1302 9.643,1303 -0.266,1305 2.797,1308 -0.599,1314 29.342,1315 70.039,1316 144.384,1317 173.948,1318 196.477,1319 200.477,1320 200.477,1321 52.272,1322 6.966,1323 62.22,1324 62.22,1325 18,1326 12.265,1327 4.322,1328 3.459,1329 44.501,1330 104,1331 100,1332 0.208,1333 189.41,1334 328.38,1335 453.92,1336 9476,1337 4.8,1338 18.518,1339 0.712,1340 0.585,1341 19.518,1342 15.206,1343 12.563,1344 0.449,1345 0.311,1346 7.937,1347 11.657,1348 7.703,1349 6.355,1350 13.14,1351 8.704,1352 11.132,1353 0.293,1354 0.174,1355 11.948,1356 6.598,1357 9.018,1358 0.188,1359 0.091,1360 9.49,1361 4.372,1362 7.548,1363 0.126,1364 0.053,1365 8.312,1366 3.154,1367 5.744,1368 0.08,1369 0.027,1370 6.129,1371 1.952,1372 0.33,1373 83.921,1374 0.233,1375 25.382,1376 0.557,1377 132,1378 406.27,1379 170.134,1380 457.304,1381 593.5,1382 424,1383 152,1384 372.962,1385 178.392,1386 401.996,1387 581.4,1388 378,1389 5.1}
{0 CHEMBL2003420,1 1.547,2 16.5,3 0.979,4 0.958,5 107.526,6 6.867,7 0.414,8 4.087,9 4.236,10 3.557,11 3.541,12 5.168,13 3.516,14 4.613,15 4.824,16 3.789,17 3.885,18 5.687,19 3.805,20 4.873,21 5.137,22 3.734,23 3.967,24 5.779,25 3.843,26 4.883,27 5.17,28 3.608,29 3.848,30 5.832,31 3.725,32 4.753,33 5.029,34 3.612,35 3.765,36 5.74,37 3.661,38 4.728,39 4.997,40 3.593,41 3.718,42 5.826,43 3.623,44 4.646,45 4.913,46 3.458,47 3.697,48 5.616,49 3.578,50 4.626,51 4.901,52 3.328,53 3.684,54 5.504,55 3.536,56 0.038,57 0.838,58 12.631,59 4.423,60 8.809,61 6.778,62 0.401,63 1.217,64 22.794,65 7.328,66 37.498,67 11.368,68 0.278,69 1.349,70 30.523,71 9.238,72 47.787,73 14.722,74 0.53,75 1.248,76 32.093,77 8.056,78 67.765,79 13.315,80 0.303,81 1.124,82 27.646,83 7.47,84 50.965,85 12.212,86 0.54,87 1.067,88 27.488,89 7.113,90 75.049,91 11.322,92 0.339,93 1.017,94 24.792,95 7.139,96 51.099,97 11.166,98 0.314,99 0.995,100 24.204,101 7.194,102 47.777,103 11.312,104 5,105 34,106 0.257,107 0.549,108 0.692,109 0.751,110 0.751,111 0.751,112 3.372,113 0.988,114 -1.55,115 -1.63,116 -1.67,119 35.7,121 4,125 4,142 4,143 2,145 4,159 2,172 7,175 4,178 4,179 2,180 4,183 4,188 2,193 4,196 1,200 4,203 2,205 8,213 4,218 6,224 2,225 4,228 2,230 4,233 2,238 2,242 1,243 2,246 4,250 2,258 6,264 2,267 2,268 2,272 6,276 1468,277 19.209,278 19.209,279 19.209,280 19.209,281 19.209,282 17.397,283 20.734,284 12.449,285 19.545,286 14.382,287 14.382,288 14.382,289 14.382,290 14.382,291 11.69,292 24.622,293 6.062,294 14.84,295 4.26,296 2.5,297 1.643,298 1.286,299 1.286,300 1.286,301 4.047,305 1,306 1,307 958,308 4.359,312 244.626,319 2.643,320 25.323,323 1,324 0.83,325 0.83,326 1,327 1,328 0.83,329 0.5,330 0.86,331 61,332 462,333 3.91,334 3.533,335 5.363,336 3.539,337 2.56,338 3.448,339 1.659,340 7.026,341 2.505,342 3.91,343 3.533,344 5.363,345 3.539,346 2.559,347 3.448,348 1.659,349 7.026,350 2.505,351 3.631,352 2.721,353 4.995,354 3.287,355 2.308,356 2.817,357 0.564,358 5.987,359 2.242,360 3.629,361 2.721,362 4.994,363 3.279,364 2.3,365 2.815,366 0.564,367 5.985,368 2.235,369 2.921,370 1.932,371 3.861,372 2.818,373 1.824,374 2.083,375 0.133,376 3.694,377 1.812,378 2.917,379 1.694,380 3.653,381 2.482,382 1.526,383 2.082,384 0.133,385 3.182,386 1.458,387 2.84,388 1.646,389 3.625,390 2.452,391 1.491,392 1.842,394 3.133,395 1.43,396 2.5,397 1.643,398 3.48,399 2.359,400 1.378,401 1.5,403 2.855,404 1.348,405 2.5,406 1.244,407 3.247,408 1.957,409 1,410 1.5,412 2.136,413 0.954,414 2.457,415 1.063,416 3.247,417 1.956,418 1,419 1.444,421 2.136,422 0.954,423 1.964,424 1.052,425 3.169,426 1.863,427 0.916,428 0.947,430 1.957,431 0.864,432 1.786,433 1,434 2.957,435 1.555,436 0.609,437 0.675,439 1.359,440 0.573,441 1.726,442 1,443 2.697,444 1.442,445 0.463,446 0.537,448 0.998,449 0.449,450 1.29,451 0.632,452 2.37,453 1.097,454 0.108,455 0.12,457 0.225,458 0.106,459 0.798,460 0.145,461 2.063,462 0.548,463 -0.432,464 -0.462,466 -0.94,467 -0.418,468 13.067,469 0.467,470 0.349,471 0.012,472 33,473 1.179,474 15,475 0.536,476 18,477 0.643,478 22.125,479 0.79,480 31.933,481 0.57,482 22.939,483 0.819,484 6.734,485 0.24,486 7.003,487 0.25,488 0.051,490 0.153,496 0.827,497 1.569,498 0.9,499 1.246,500 0.56,501 1.095,502 0.629,503 1.131,504 1.058,505 1.164,506 0.529,507 1.169,508 0.926,509 1.184,510 0.989,511 1.132,512 0.919,513 1.081,514 1.371,515 0.839,516 1.1,517 0.85,518 1.357,519 0.918,520 1.16,521 1.077,522 0.934,523 0.989,524 1.122,525 0.934,526 1.406,527 0.816,528 1.036,529 0.839,530 1.572,531 0.882,532 1.25,533 0.929,534 1.064,535 0.976,536 1.336,537 0.994,538 1.142,539 0.938,540 1.103,541 0.995,542 1.201,543 1.041,544 3.5,545 0.074,546 1.556,547 0.5,548 0.702,549 0.458,550 0.206,551 0.174,552 0.09,553 0.051,554 13169,555 35757,556 2.017,557 50,558 4,559 12,561 4,562 4,564 4,567 1.697,568 1.953,569 3.992,570 1.698,572 1,577 86.658,578 1.547,579 3.307,580 4.164,581 4.522,582 4.522,583 4.522,584 3.379,585 3.379,586 4.782,587 4.202,588 1588.31,589 8.242,590 25435.4,592 1,595 325.212,596 0.946,597 4.771,598 0.121,599 0.004,600 0.046,601 0.016,602 0.027,603 0.017,604 0.008,605 0.008,606 0.005,607 0.003,608 0.253,609 0.17,610 0.88,611 0.444,612 150.584,613 -0.078,614 -0.225,615 0.021,616 -0.069,617 -0.004,618 -0.015,619 0.218,620 0.053,621 -0.107,622 -0.104,623 0.125,624 -0.153,625 -0.057,626 -0.206,627 -0.025,628 -0.124,629 -0.062,630 -0.077,631 -0.171,632 0.083,633 -0.078,634 0.046,635 -0.149,636 0.006,637 -0.077,638 -0.149,639 0.066,640 -0.041,641 0.007,642 0.029,643 -0.027,644 0.109,645 0.003,646 0.074,647 -0.027,648 0.045,649 -0.132,650 0.015,651 -0.066,652 -0.006,653 -0.11,654 -0.023,655 -0.164,656 -0.002,657 -0.124,658 -0.013,659 -0.158,660 -0.056,661 1.837,662 4.69,663 0.429,664 36.49,665 1,666 1.142,667 0.324,668 0.105,669 0.631,670 3.401,671 3.555,672 3.638,673 3.714,674 3.829,675 3.611,676 3.584,677 3.555,678 3.526,679 3.367,680 9.742,681 0.596,682 384.54,683 3.401,684 4.844,685 5.595,686 6.368,687 7.13,688 7.906,689 8.673,690 9.449,691 10.219,692 10.996,693 10.7,700 4,703 2,709 8,710 2,714 2,716 12,735 56,737 14,739 29,741 57,742 20,743 10,748 2,749 2,753 2,760 4,762 12,763 8,767 2,772 2,776 2,780 1,783 28,784 8,785 4,786 8,792 6,797 1,798 2,809 2,816 2,843 2,851 28,858 8,860 4,874 3.6,877 2,881 14.333,882 9.4,883 6.583,884 3.378,886 1.642,887 1.252,888 0.938,889 10.622,890 8.167,891 3.638,892 4.025,893 4.35,894 4.703,895 5.123,896 4.72,897 4.789,898 4.888,899 5.023,900 4.501,901 0.909,902 31,903 10.333,905 4.088,906 7.81,907 19.728,909 15.033,911 2.31,912 64.667,916 282.506,917 107.578,918 105.614,920 50.29,923 107.578,924 332.796,925 105.614,927 90.604,928 37.905,929 130.945,930 42.561,931 8.552,932 235.422,934 282.506,935 213.192,936 50.29,939 235.422,940 97.374,943 126.794,944 52.828,945 33.571,947 282.506,948 155.904,949 107.578,952 282.506,953 33.484,954 74.095,955 72.043,956 83.861,957 282.506,958 155.904,959 107.578,961 0.54,962 0.285,963 0.141,964 0.077,965 10,966 4,967 0.193,968 11,970 1,971 4.431,972 191.093,974 12,975 106.606,981 21.803,982 13.641,983 10.444,985 155.904,986 14.381,987 8.008,991 1.934,993 72.043,994 545.989,995 37,1000 23.379,1004 -0.341,1007 55.985,1008 63.976,1009 0.266,1010 0.57,1011 0.717,1012 0.779,1013 0.779,1014 0.779,1015 4.779,1016 1.378,1017 5.46,1018 3.133,1019 4.234,1020 4.71,1021 2.459,1022 6.014,1023 4.174,1024 5.871,1025 1,1026 6.851,1027 2.855,1028 3.219,1029 3.951,1030 1.724,1031 6.293,1032 3.205,1033 7.074,1034 1,1035 8.332,1036 2.136,1037 5.58,1038 6.609,1039 3.092,1040 9.329,1041 5.464,1042 8.306,1043 0.916,1044 9.868,1045 2.136,1046 5.398,1047 6.64,1048 2.967,1049 10.496,1050 5.329,1051 9.569,1052 0.609,1053 11.442,1054 1.957,1055 7.136,1056 8.77,1057 3.935,1058 12.919,1059 6.973,1060 10.852,1061 0.463,1062 13.041,1063 1.359,1064 7.393,1065 9.181,1066 4.091,1067 14.471,1068 7.266,1069 12.15,1070 0.108,1071 14.658,1072 0.998,1073 8.802,1074 11.057,1075 4.858,1076 16.638,1077 8.595,1078 2.56,1079 -0.432,1080 16.287,1081 0.225,1082 9.316,1083 11.689,1084 5.165,1085 18.377,1086 9.133,1087 2.559,1088 7.026,1089 17.926,1090 -0.94,1091 10.533,1092 13.408,1093 5.822,1094 20.424,1095 10.286,1096 2.308,1097 7.026,1098 19.571,1099 3.448,1100 11.204,1101 14.189,1102 6.213,1103 22.26,1104 10.97,1105 2.3,1106 5.987,1107 21.22,1108 3.448,1109 12.307,1110 15.796,1111 6.806,1112 24.251,1113 12.02,1114 1.824,1115 5.985,1116 22.874,1117 2.817,1118 13.076,1119 16.685,1120 7.246,1121 26.136,1122 12.792,1123 1.526,1124 3.694,1125 24.53,1126 2.815,1127 14.11,1128 18.207,1129 7.802,1130 28.101,1131 13.783,1132 1.491,1133 3.182,1134 26.188,1135 2.083,1136 14.939,1137 19.179,1138 8.27,1139 30.014,1140 14.61,1141 12886,1142 21364,1143 19.644,1144 35.319,1145 40.24,1146 41.795,1147 40.387,1148 40.022,1149 40.083,1150 50.513,1151 9.423,1152 95.395,1153 38.868,1154 4.886,1155 5.533,1156 5.255,1157 4.58,1158 4.56,1159 6.448,1160 2.921,1161 12.055,1162 4.444,1163 10.034,1164 1.388,1165 1.441,1166 1.393,1167 1.38,1168 1.382,1169 1.742,1170 0.325,1171 3.289,1172 1.34,1173 3.916,1174 3.966,1175 3.844,1176 3.797,1177 7.433,1178 3.802,1179 3.878,1180 3.923,1181 3.812,1182 3.768,1183 7.429,1184 3.772,1185 3.775,1186 3.839,1187 3.64,1188 3.631,1189 4.908,1190 3.619,1191 3.626,1192 3.695,1193 3.536,1194 3.378,1195 4.888,1196 3.399,1197 3.493,1198 3.556,1199 3.394,1200 3.217,1201 4.283,1202 3.256,1203 3.327,1204 3.408,1205 3.162,1206 3.111,1207 4.195,1208 3.117,1209 3.123,1210 3.217,1211 2.958,1212 2.919,1213 4.067,1214 2.917,1215 2.993,1216 3.052,1217 2.857,1218 2.787,1219 3.98,1220 2.802,1221 0.135,1222 0.122,1223 0.185,1224 0.122,1225 0.088,1226 3.91,1227 0.119,1228 3.533,1229 0.057,1230 5.363,1231 0.242,1232 3.539,1233 0.086,1234 2.56,1235 3.448,1236 1.659,1237 7.026,1238 2.505,1239 1.854,1240 1.814,1241 2.02,1242 2.001,1243 1.366,1244 2.002,1245 1.853,1246 1.813,1247 1.978,1248 1.993,1249 1.091,1250 1.991,1251 1.769,1252 1.705,1253 1.975,1254 1.943,1255 1.081,1256 1.964,1257 1.549,1258 1.476,1259 1.793,1260 1.816,1261 1.061,1262 1.805,1263 1.38,1264 1.315,1265 1.584,1266 1.682,1267 0.694,1268 1.655,1269 1.286,1270 1.212,1271 1.533,1272 1.549,1273 0.617,1274 1.554,1275 1.106,1276 1.022,1277 1.424,1278 1.371,1279 0.601,1280 1.394,1281 0.939,1282 0.887,1283 1.199,1284 1.206,1285 0.308,1286 1.212,1287 4.078,1289 5.273,1291 6.635,1293 8.067,1295 9.535,1303 6.031,1305 11.274,1314 33.353,1315 86.658,1316 185.212,1317 233.212,1318 253.212,1319 253.212,1320 253.212,1321 61.598,1322 6.525,1323 108.04,1324 108.04,1325 12,1326 11.614,1327 3.907,1328 3.17,1329 62.848,1330 168,1331 128,1332 0.172,1333 213.17,1334 370.5,1335 511.894,1336 6931,1338 19.866,1339 0.709,1340 0.571,1341 19.866,1342 15.987,1343 13.737,1344 0.474,1345 0.329,1346 9.407,1347 13.172,1348 9.253,1349 7.762,1350 13.737,1351 9.55,1352 11.072,1353 0.326,1354 0.187,1355 11.072,1356 6.356,1357 8.229,1358 0.222,1359 0.109,1360 8.229,1361 4.026,1362 5.973,1363 0.149,1364 0.063,1365 5.973,1366 2.502,1367 4.622,1368 0.103,1369 0.035,1370 4.622,1371 1.569,1372 0.295,1373 86.394,1374 0.226,1375 28.72,1376 0.411,1377 126,1378 394.093,1379 140.419,1380 379.685,1381 498.52,1382 354,1383 134,1384 342.259,1385 146.648,1386 346.382,1387 488,1388 324,1389 5.1}
{0 CHEMBL2003456,1 1.592,2 6.938,3 1.6,4 2.559,5 59.726,6 8.45,7 0.667,8 3.37,9 3.482,10 3.05,11 2.962,12 4.58,13 2.971,14 3.822,15 3.951,16 3.408,17 3.339,18 5.088,19 3.321,20 4.01,21 4.192,22 3.312,23 3.365,24 5.167,25 3.316,26 3.893,27 4.108,28 3.084,29 3.196,30 5.025,31 3.118,32 3.743,33 3.966,34 2.903,35 2.985,36 4.856,37 2.918,38 3.513,39 3.736,40 2.683,41 2.748,42 4.592,43 2.69,44 3.319,45 3.549,46 2.437,47 2.483,48 4.47,49 2.429,50 3.035,51 3.273,52 1.929,53 2.009,54 4.302,55 1.949,56 0.041,57 0.391,58 3.836,59 1.87,60 4.098,61 2.127,62 0.172,63 0.611,64 6.512,65 3.176,66 12.424,67 3.869,68 0.162,69 0.687,70 9.87,71 4.116,72 21.205,73 4.984,74 0.151,75 0.597,76 9.548,77 3.841,78 18.46,79 5.083,80 0.12,81 0.498,82 8.748,83 3.329,84 17.358,85 4.316,86 0.109,87 0.409,88 6.787,89 2.407,90 14.286,91 3.067,92 0.091,93 0.329,94 5.67,95 1.908,96 9.272,97 2.417,98 0.108,99 0.214,100 4.874,101 1.517,102 15.837,103 1.758,104 2,105 25,106 0.313,107 0.589,108 0.722,109 0.828,110 0.85,111 0.85,112 2.854,113 0.827,114 -2.98,115 -2.99,116 -2.88,119 48,142 6,143 2,144 1,145 1,147 1,159 1,172 8,175 1,178 3,179 1,180 1,183 9,188 2,191 1,193 2,196 7,199 1,200 3,205 2,208 3,213 3,218 3,221 1,225 2,230 4,238 2,243 3,250 2,255 1,264 1,276 230,277 11.016,278 11.016,279 11.016,280 11.016,281 11.016,282 9.449,283 9.679,284 6.594,285 11.163,286 8.926,287 8.926,288 8.926,289 8.926,290 8.926,291 6.573,292 15.401,293 3.177,294 9.159,295 3.052,296 1.646,297 0.971,298 0.43,299 0.32,300 0.32,301 3.533,305 1,306 1,307 245,308 1.581,311 30.908,312 77.993,315 54.107,319 1.078,320 11.204,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 34.5,332 111,333 4.392,334 3.615,335 6.325,336 4.011,337 3.045,338 4.049,339 1.656,340 9.719,341 2.95,342 4.05,343 2.938,344 6.031,345 3.7,346 2.717,347 3.553,348 0.247,349 8.704,350 2.655,351 3.452,352 2.61,353 4.821,354 2.996,355 2,356 2.759,358 5.393,359 1.979,360 3.193,361 1.825,362 4.513,363 2.727,364 1.732,365 2.422,367 4.567,368 1.718,369 2.874,370 1.698,371 4.339,372 2.448,373 1.516,374 2.007,376 4.141,377 1.409,378 2.627,379 1.184,380 3.507,381 2.134,382 1.143,383 1.684,385 2.686,386 1.132,387 2.5,388 1,389 3.247,390 2,391 1,392 1.5,394 2.136,395 1,396 1.644,397 0.606,398 3.154,399 1.332,400 0.41,401 0.49,403 1.074,404 0.377,405 1.015,406 0.546,407 2.539,408 0.57,409 -0.439,410 -0.582,412 -1.122,413 -0.436,414 0.777,415 -0.471,416 2.178,417 0.341,418 -0.677,419 -0.943,421 -1.614,422 -0.676,423 0.516,424 -0.806,425 2,426 0.011,427 -1,428 -1.318,430 -2.347,431 -0.954,432 0.5,433 -0.91,434 1.684,436 -1,437 -1.5,439 -2.498,440 -1,441 0.383,442 -1,443 1.555,444 -0.048,445 -1,446 -1.521,448 -2.932,449 -1.018,450 -0.5,451 -1.422,452 1.124,453 -0.77,454 -1.732,455 -2.005,457 -4.789,458 -1.631,459 -0.5,460 -1.526,461 1.064,462 -0.795,463 -1.752,464 -2.156,466 -5.173,467 -1.678,468 7.533,469 0.471,470 0.346,471 0.022,472 25.25,473 1.578,474 14.5,475 0.906,476 10.75,477 0.672,478 7.456,479 0.466,480 15.867,481 0.635,482 14.542,483 0.909,484 5.087,485 0.318,486 2.74,487 0.171,488 0.044,490 0.332,496 0.799,497 1.142,498 0.681,499 0.846,500 0.576,501 0.748,502 0.382,503 0.973,504 0.786,505 0.989,506 0.494,507 0.971,508 0.993,509 1.026,510 1.053,511 1.065,512 1.03,513 1.073,514 0.617,515 1.01,516 0.98,517 1.079,518 0.523,519 1.088,520 0.949,521 1.022,522 0.951,523 1.022,524 0.948,525 0.995,526 1.086,527 1.077,528 1.063,529 0.989,530 0.926,531 1.006,532 1.223,533 1.045,534 1.141,535 1.062,536 0.914,537 1.06,538 2.094,539 0.846,540 1.356,541 0.984,542 2.373,543 1.04,544 3,546 1.556,547 1.042,548 0.479,549 0.386,550 0.212,551 0.109,552 0.037,553 0.016,554 2077,555 6094,556 2.174,557 36,559 6,561 1,562 2,567 1.549,568 2.087,569 2.845,570 0.451,574 1,577 39.793,578 1.592,579 2.997,580 3.673,581 4.214,582 4.324,583 4.324,584 2.281,585 3.5,586 3.974,587 2.889,588 346.721,589 6.683,590 2907.23,592 1,595 116.096,596 1.198,597 3.954,598 0.167,600 0.062,601 0.047,602 0.028,603 0.028,604 0.019,605 0.014,606 0.009,607 0.016,608 0.39,609 0.67,610 1,611 0.5,612 63.653,613 -0.12,614 -0.063,615 0.02,616 0.04,617 -0.09,618 0.057,619 0.371,620 0.082,621 -0.032,622 -0.089,623 0.109,624 -0.138,625 -0.096,626 -0.062,627 -0.144,628 -0.111,629 -0.127,630 -0.135,631 0.11,632 -0.079,633 -0.009,634 -0.094,635 0.119,636 -0.075,637 -0.05,638 -0.119,639 0.081,640 -0.023,641 -0.019,642 0.04,643 -0.155,644 -0.114,645 -0.046,646 -0.033,647 -0.095,648 -0.019,649 -0.169,650 -0.076,651 -0.087,652 -0.118,653 0.047,654 -0.078,655 -0.371,656 0.013,657 -0.144,658 0.016,659 -0.217,660 -0.01,661 1.896,662 4.086,663 0.938,664 8.594,665 1.011,666 1.118,667 1.755,668 3.079,669 0.71,670 2.944,671 3.258,672 3.526,673 3.807,674 3.989,675 3.97,676 4.127,677 4.19,678 4.007,679 3.892,680 4.146,681 0.694,682 211.24,683 2.944,684 4.466,685 5.313,686 6.188,687 7.054,688 7.933,689 8.806,690 9.687,691 10.564,692 11.446,693 12,700 2,703 1,709 7,710 1,714 4,716 12,735 25,737 13,738 1,739 18,741 27,742 12,743 11,744 1,745 5,748 3,749 4,753 1,762 12,767 1,772 1,776 1,780 1,783 9,784 4,785 2,786 4,792 3,797 0.667,798 1,809 1,815 1,816 2,819 1,843 2,851 16,860 2,874 4,877 1,881 7.667,882 4.45,883 3.472,884 1.394,886 2.402,887 1.381,888 1.051,889 2.031,890 8.709,891 3.258,892 3.85,893 4.407,894 5.004,895 5.555,896 5.725,897 6.174,898 6.519,899 6.671,900 6.855,901 0.8,902 22,903 5.857,905 2.516,906 7.833,907 11.043,909 9.046,911 2.333,912 37.333,913 0.002,916 82.398,917 81.637,918 52.807,920 25.145,923 81.637,924 107.543,925 52.807,927 36.022,928 56.857,929 53.702,930 18.175,931 6.604,932 70.627,934 82.398,935 134.444,936 25.145,939 82.398,940 25.145,943 45.069,944 72.589,945 16.786,947 82.398,948 77.952,949 81.637,952 82.398,953 15.732,954 65.905,955 36.022,956 41.93,957 82.398,958 77.952,959 81.637,961 0.578,962 0.334,963 0.189,964 0.102,965 14,966 5,967 0.037,968 1,969 1,970 1.133,971 2.933,972 111.683,973 0.133,974 15,975 60,981 9.218,982 3.524,983 1.64,985 77.952,986 13.588,987 4.192,991 3.387,993 36.022,994 241.986,995 25,1000 11.086,1004 -0.229,1007 25.284,1008 27.95,1009 0.343,1010 0.645,1011 0.791,1012 0.907,1013 0.931,1014 0.931,1015 4.466,1016 0.41,1017 5.283,1018 2.136,1019 3.932,1020 4.533,1021 1.758,1022 6.071,1023 3.88,1024 5.665,1025 -0.439,1026 6.819,1027 1.074,1028 3.434,1029 4.205,1030 1.195,1031 6.88,1032 3.37,1033 6.959,1034 -0.677,1035 8.454,1036 -1.122,1037 5.493,1038 6.685,1039 2.415,1040 9.983,1041 5.385,1042 8.289,1043 -1,1044 10.148,1045 -1.614,1046 5.832,1047 7.155,1048 2.324,1049 11.643,1050 5.699,1051 9.649,1052 -1,1053 11.88,1054 -2.347,1055 7.347,1056 9.108,1057 3.244,1058 14.219,1059 7.18,1060 11.031,1061 -1,1062 13.638,1063 -2.498,1064 8.086,1065 9.981,1066 3.407,1067 16.223,1068 7.887,1069 12.43,1070 -1.732,1071 15.414,1072 -2.932,1073 9.362,1074 11.676,1075 4.156,1076 18.602,1077 9.134,1078 3.045,1079 -1.752,1080 17.204,1081 -4.789,1082 10.293,1083 12.77,1084 4.464,1085 20.75,1086 10.029,1087 2.717,1088 9.719,1089 19.004,1090 -5.173,1091 11.464,1092 14.327,1093 5.111,1094 23.053,1095 11.172,1096 2,1097 8.704,1098 20.811,1099 4.049,1100 12.484,1101 15.547,1102 5.504,1103 25.262,1104 12.157,1105 1.732,1106 5.393,1107 22.624,1108 3.553,1109 13.611,1110 17.028,1111 6.091,1112 27.536,1113 13.254,1114 1.516,1115 4.567,1116 24.441,1117 2.759,1118 14.673,1119 18.319,1120 6.531,1121 29.771,1122 14.282,1123 1.143,1124 4.141,1125 26.261,1126 2.422,1127 15.783,1128 19.759,1129 7.083,1130 32.035,1131 15.361,1132 1,1133 2.686,1134 28.084,1135 2.007,1136 16.866,1137 21.092,1138 7.551,1139 34.284,1140 16.41,1141 2005,1142 3529,1143 12.425,1144 17.756,1145 27.243,1146 28.042,1147 27.43,1148 27.053,1149 27.125,1150 36.928,1151 3.806,1152 76.839,1153 26.439,1154 5.21,1155 5.615,1156 6.127,1157 5.06,1158 5.045,1159 7.049,1160 2.912,1161 16.159,1162 4.95,1163 4.649,1164 1.514,1165 1.558,1166 1.524,1167 1.503,1168 1.507,1169 2.052,1170 0.211,1171 4.269,1172 1.469,1173 4.019,1174 4.053,1175 3.979,1176 3.935,1177 7.431,1178 3.938,1179 3.802,1180 3.842,1181 3.742,1182 3.674,1183 4.928,1184 3.687,1185 3.353,1186 3.393,1187 3.297,1188 3.136,1189 4.691,1190 3.171,1191 2.854,1192 2.925,1193 2.755,1194 2.735,1195 4.048,1196 2.715,1197 2.832,1198 2.909,1199 2.687,1200 2.651,1201 3.868,1202 2.668,1203 2.748,1204 2.801,1205 2.647,1206 2.541,1207 3.674,1208 2.559,1209 2.452,1210 2.509,1211 2.332,1212 2.248,1213 3.453,1214 2.268,1215 2.197,1216 2.335,1217 1.944,1218 1.748,1219 3.145,1220 1.774,1221 0.244,1222 0.201,1223 0.351,1224 0.223,1225 0.169,1226 4.392,1227 0.225,1228 3.615,1229 0.092,1230 6.325,1231 0.54,1232 4.011,1233 0.164,1234 3.045,1235 4.049,1236 1.656,1237 9.719,1238 2.95,1239 1.959,1240 1.934,1241 2.056,1242 2.038,1243 1.151,1244 2.044,1245 1.691,1246 1.654,1247 1.796,1248 1.821,1249 0.863,1250 1.818,1251 1.252,1252 1.203,1253 1.366,1254 1.625,1255 0.265,1256 1.552,1257 0.974,1258 0.93,1259 1.181,1260 1.144,1261 0.22,1262 1.149,1263 0.886,1264 0.821,1265 1.145,1266 1.062,1267 0.218,1268 1.107,1269 0.672,1270 0.599,1271 0.959,1272 0.919,1274 0.933,1275 0.494,1276 0.419,1277 0.81,1278 0.76,1280 0.788,1283 0.381,1284 0.309,1286 0.267,1287 3.611,1289 4.92,1290 2.398,1291 6.428,1292 4.727,1293 8.023,1294 6.804,1295 9.662,1305 5.31,1314 17.359,1315 39.793,1316 74.935,1317 91.832,1318 105.342,1319 108.096,1320 108.096,1321 16.127,1322 6.306,1323 61.54,1324 61.54,1325 17,1326 11.981,1327 3.807,1328 3,1329 21.835,1330 40,1331 34,1332 0.283,1333 107.586,1334 180.59,1335 254.269,1336 3751,1338 10.958,1339 0.685,1340 0.525,1341 10.958,1342 8.397,1343 7.826,1344 0.435,1345 0.276,1346 4.899,1347 7.569,1348 4.819,1349 4.001,1350 7.826,1351 4.963,1352 7.068,1353 0.283,1354 0.143,1355 7.068,1356 3.565,1357 5.907,1358 0.179,1359 0.075,1360 5.907,1361 2.475,1362 5.126,1363 0.116,1364 0.039,1365 5.126,1366 1.709,1367 4.082,1368 0.077,1369 0.021,1370 4.082,1371 1.09,1372 0.425,1373 48.807,1374 0.284,1375 16.007,1376 0.824,1377 86,1378 256.046,1379 94.264,1380 252.513,1381 348.7,1382 236,1383 101,1384 261.608,1385 108.712,1386 266.207,1387 388.23,1388 251,1389 5.3}
{0 CHEMBL2003482,1 1.67,2 8.737,3 2.947,4 8.682,5 74.065,6 8.356,7 0.524,8 3.613,9 3.733,10 3.278,11 3.204,12 4.709,13 3.177,14 4.142,15 4.301,16 3.656,17 3.613,18 5.22,19 3.553,20 4.376,21 4.59,22 3.568,23 3.619,24 5.415,25 3.518,26 4.269,27 4.514,28 3.345,29 3.396,30 5.337,31 3.299,32 4.099,33 4.332,34 3.261,35 3.211,36 5.3,37 3.161,38 3.982,39 4.197,40 3.148,41 3.172,42 5.106,43 3.093,44 3.835,45 4.03,46 3.185,47 3.107,48 5.049,49 3.029,50 3.79,51 4.035,52 2.918,53 3.095,54 4.653,55 2.963,56 0.06,57 0.495,58 5.779,59 2.835,60 5.342,61 3.628,62 0.129,63 0.79,64 11.472,65 5.171,66 14.3,67 6.84,68 0.26,69 0.898,70 19.497,71 6.428,72 32.573,73 8.41,74 0.28,75 0.793,76 18.474,77 5.361,78 30.034,79 7.302,80 0.289,81 0.65,82 14.216,83 4.27,84 37.544,85 5.516,86 0.225,87 0.552,88 14.582,89 4.367,90 32.343,91 5.442,92 0.266,93 0.502,94 11.445,95 3.657,96 37.496,97 4.643,98 0.115,99 0.496,100 11.199,101 3.845,102 13.245,103 5.345,104 5,105 29,106 0.311,107 0.679,108 0.803,109 0.848,110 0.848,111 0.848,112 3.009,113 0.958,114 -4.12,115 -4.07,116 -3.85,119 42.4,121 4,142 4,143 2,144 1,146 1,153 1,158 1,168 1,172 8,175 3,178 1,179 1,180 3,183 11,188 3,191 1,193 4,196 6,200 3,203 1,205 6,208 2,212 1,213 4,218 3,221 3,225 3,230 2,233 5,238 3,243 3,246 6,250 2,258 6,269 1,272 5,276 410,277 12.878,278 12.878,279 12.878,280 12.878,281 12.878,282 11.325,283 15.894,284 7.626,285 13.111,286 10.381,287 10.381,288 10.381,289 10.381,290 10.381,291 8.015,292 16.748,293 3.649,294 10.8,295 3.375,296 1.394,297 0.727,298 0.485,299 0.485,300 0.485,301 3.687,302 1,304 1,305 1,306 1,307 364,308 2.739,311 85.725,312 62.967,314 70.289,319 1.357,320 17.361,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 40.833,332 166,333 4.427,334 3.639,335 6.54,336 4.06,337 3.087,338 4.089,339 1.987,340 10.319,341 3.002,342 4.04,343 3.242,344 5.536,345 3.656,346 2.67,347 3.628,348 0.324,349 7.522,350 2.636,351 3.664,352 2.943,353 5.223,354 3.287,355 2.334,356 2.92,358 6.452,359 2.209,360 3.328,361 2.484,362 4.948,363 2.939,364 2.016,365 2.567,367 5.761,368 1.809,369 3.074,370 2.177,371 4.607,372 2.68,373 1.696,374 2.212,376 4.751,377 1.615,378 2.707,379 1.644,380 4.098,381 2.389,382 1.414,383 1.768,385 3.549,386 1.377,387 2.5,388 1.021,389 3.414,390 2,391 1,392 1.5,394 2.275,395 1,396 2.06,397 1,398 3.397,399 1.863,400 0.876,401 1.003,403 2.089,404 0.863,405 1.57,406 0.887,407 3.067,408 1.396,409 0.419,410 0.471,412 1.034,413 0.406,414 1.4,415 0.695,416 2.758,417 1.039,418 0.104,419 0.125,421 0.24,422 0.085,423 0.857,424 0.314,425 2.214,426 0.493,427 -0.451,428 -0.531,430 -1.199,431 -0.375,432 0.678,433 -0.058,434 2,435 0.259,436 -0.697,437 -0.926,439 -1.644,440 -0.609,441 0.5,442 -0.717,443 2,445 -1,446 -1.5,448 -3,449 -1,450 0.033,451 -1,452 1.684,453 -0.319,454 -1.28,455 -1.532,457 -3.024,458 -1.134,459 -0.081,460 -1.034,461 1.495,462 -0.439,463 -1.36,464 -1.632,466 -3.231,467 -1.27,468 9.248,469 0.487,470 0.452,471 0.024,472 24,473 1.263,474 12,475 0.632,476 12,477 0.632,478 13.861,479 0.73,480 20.152,481 0.611,482 14.191,483 0.747,484 4.593,485 0.242,486 4.627,487 0.244,488 0.113,490 0.324,496 0.634,497 1.058,498 0.592,499 0.844,500 0.513,501 0.829,502 0.52,503 1.205,504 0.657,505 1.017,506 0.51,507 1.001,508 1.115,509 1.149,510 1.032,511 1.086,512 1.119,513 1.104,514 1.093,515 1.072,516 0.983,517 1.01,518 0.935,519 1.019,520 1.497,521 0.844,522 0.719,523 0.719,524 1.728,525 0.78,526 1.611,527 0.91,528 1.092,529 0.924,530 1.995,531 0.916,532 1.049,533 0.995,534 0.824,535 0.978,536 1.398,537 0.992,538 0.602,539 0.896,540 0.866,541 0.904,542 0.35,543 0.948,544 4,545 0.058,546 2,547 1.069,548 0.707,549 0.42,550 0.334,551 0.131,552 0.104,553 0.072,554 3615,555 10638,556 2.113,557 42.4,558 4,559 4,562 2,563 4,567 1.597,568 2,569 3.118,570 0.393,572 1,574 1,577 55.104,578 1.67,579 3.65,580 4.317,581 4.56,582 4.56,583 4.56,584 2.55,585 3.827,586 4.224,587 3.255,588 556.676,589 7.163,590 5551.5,591 1,592 1,593 1,594 1,595 166.465,596 1.324,597 4.189,598 0.19,599 0.012,600 0.069,601 0.045,602 0.037,603 0.023,604 0.021,605 0.009,606 0.008,607 0.008,608 0.422,609 0.83,610 1,611 0.565,612 83.313,613 0.003,614 0.127,615 0.012,616 0.067,617 -0.001,618 0.055,619 0.143,620 -0.122,621 0.036,622 -0.079,623 0.079,624 -0.07,625 -0.132,626 -0.158,627 -0.126,628 -0.143,629 -0.126,630 -0.16,631 -0.071,632 -0.073,633 -0.087,634 -0.103,635 0.014,636 -0.084,637 -0.139,638 0.15,639 0.042,640 0.158,641 -0.033,642 0.119,643 -0.261,644 0.012,645 -0.099,646 0.042,647 -0.269,648 0.036,649 0.12,650 -0.027,651 0.05,652 -0.026,653 0.056,654 -0.051,655 -0.026,656 0.065,657 0.011,658 0.076,659 0.004,660 0.07,661 1.708,662 4.973,663 0.737,664 12.188,665 1.008,666 1.125,667 2.894,668 8.376,669 0.694,670 3.091,671 3.401,672 3.638,673 3.892,674 3.951,675 3.932,676 3.989,677 3.829,678 3.871,679 3.951,680 5.254,681 0.66,682 275.76,683 3.091,684 4.615,685 5.451,686 6.319,687 7.171,688 8.041,689 8.901,690 9.772,691 10.636,692 11.509,693 9.1,700 1,701 1,703 1,709 4,710 1,711 1,714 5,716 11,734 1,735 33,737 12,738 1,739 21,741 35,742 14,743 9,744 2,745 4,748 3,749 4,750 1,757 3,760 4,762 10,763 4,767 1,772 1,776 1,779 1,780 1,783 14,784 3,785 2,786 5,787 1,792 3,797 0.667,798 1,807 1,815 2,816 1,818 1,829 1,843 2,848 1,851 19,858 4,860 1,873 1,874 3,877 1,881 9.5,882 5.843,883 4.139,884 2.045,886 1.949,887 1.302,888 1.012,889 3.47,890 8.406,891 3.35,892 3.927,893 4.426,894 4.961,895 5.254,896 5.27,897 5.456,898 5.387,899 5.57,900 5.938,901 0.833,902 24,903 7.014,905 2.999,906 7.769,907 13.455,909 11.211,911 2.269,912 43.111,913 0.001,916 141.253,917 67.704,918 51.337,919 39.149,920 25.145,923 67.704,924 205.547,925 51.337,927 28.149,928 37.905,929 46.513,930 31.619,932 141.253,933 39.149,934 141.253,935 119.041,936 25.145,937 39.149,939 141.253,940 25.145,943 49.897,944 52.481,945 55.812,947 141.253,948 76.482,949 106.853,952 141.253,953 29.799,954 37.905,955 34.674,956 80.957,957 141.253,958 76.482,959 106.853,961 0.581,962 0.33,963 0.179,964 0.089,965 15,966 6,967 0.086,968 3,969 1,970 1.143,971 3.273,972 135.986,973 0.143,974 14,975 76.711,981 12.548,982 5.254,983 2.76,985 59.819,986 7.3,987 4.211,988 2.899,991 4.617,993 34.674,994 324.588,995 27.5,1000 11.973,1004 -0.041,1007 33.258,1008 37.14,1009 0.331,1010 0.724,1011 0.856,1012 0.904,1013 0.904,1014 0.904,1015 4.572,1016 0.876,1017 5.425,1018 2.275,1019 4.078,1020 4.61,1021 2.076,1022 6.196,1023 4.007,1024 5.766,1025 0.419,1026 6.956,1027 2.089,1028 3.611,1029 4.388,1030 1.593,1031 7.002,1032 3.47,1033 7.062,1034 0.104,1035 8.582,1036 1.034,1037 5.631,1038 6.749,1039 3.1,1040 10.08,1041 5.506,1042 8.393,1043 -0.451,1044 10.266,1045 0.24,1046 5.994,1047 7.348,1048 3.168,1049 11.768,1050 5.819,1051 9.755,1052 -0.697,1053 11.989,1054 -1.199,1055 7.468,1056 9.176,1057 4.312,1058 14.348,1059 7.296,1060 11.139,1061 -1,1062 13.741,1063 -1.644,1064 8.219,1065 10.16,1066 4.654,1067 16.412,1068 8.011,1069 12.539,1070 -1.28,1071 15.515,1072 -3,1073 9.473,1074 11.762,1075 5.601,1076 18.828,1077 9.257,1078 3.087,1079 -1.36,1080 17.308,1081 -3.024,1082 10.412,1083 12.94,1084 6.091,1085 21.052,1086 10.165,1087 2.67,1088 10.319,1089 19.115,1090 -3.231,1091 11.577,1092 14.435,1093 6.927,1094 23.412,1095 11.313,1096 2.334,1097 7.522,1098 20.934,1099 4.089,1100 12.606,1101 15.715,1102 7.5,1103 25.7,1104 12.313,1105 2.016,1106 6.452,1107 22.764,1108 3.628,1109 13.736,1110 17.159,1111 8.273,1112 28.042,1113 13.422,1114 1.696,1115 5.761,1116 24.602,1117 2.92,1118 14.81,1119 18.492,1120 8.894,1121 30.357,1122 14.467,1123 1.414,1124 4.751,1125 26.447,1126 2.567,1127 15.929,1128 19.912,1129 9.631,1130 32.693,1131 15.56,1132 1,1133 3.549,1134 28.298,1135 2.212,1136 17.025,1137 21.275,1138 10.279,1139 35.018,1140 16.628,1141 3469,1142 6044,1143 14.216,1144 22.898,1145 31.35,1146 32.342,1147 31.946,1148 31.382,1149 31.231,1150 40.569,1151 4.622,1152 87.986,1153 30.003,1154 5.316,1155 5.639,1156 6.058,1157 5.102,1158 5.087,1159 7.089,1160 3.497,1161 17.057,1162 5.002,1163 7.412,1164 1.493,1165 1.54,1166 1.521,1167 1.494,1168 1.487,1169 1.932,1170 0.22,1171 4.19,1172 1.429,1173 4.038,1174 4.091,1175 4.016,1176 3.907,1177 7.429,1178 3.915,1179 3.913,1180 3.939,1181 3.96,1182 3.85,1183 4.987,1184 3.846,1185 3.509,1186 3.558,1187 3.531,1188 3.311,1189 4.934,1190 3.329,1191 3.295,1192 3.372,1193 3.253,1194 3.076,1195 4.322,1196 3.084,1197 2.885,1198 2.954,1199 3.091,1200 2.735,1201 3.999,1202 2.715,1203 2.854,1204 2.925,1205 2.687,1206 2.695,1207 3.854,1208 2.707,1209 2.768,1210 2.841,1211 2.605,1212 2.587,1213 3.674,1214 2.568,1215 2.387,1216 2.499,1217 2.375,1218 2.121,1219 3.397,1220 2.107,1221 0.211,1222 0.173,1223 0.311,1224 0.193,1225 0.147,1226 4.427,1227 0.195,1228 3.639,1229 0.095,1230 6.54,1231 0.491,1232 4.06,1233 0.143,1234 3.087,1235 4.089,1236 1.987,1237 10.319,1238 3.002,1239 1.912,1240 1.89,1241 2.013,1242 1.996,1243 1.183,1244 2.006,1245 1.629,1246 1.582,1247 1.847,1248 1.834,1249 1.161,1250 1.827,1251 1.534,1252 1.481,1253 1.684,1254 1.699,1255 0.951,1256 1.706,1257 1.372,1258 1.332,1259 1.542,1260 1.584,1261 0.698,1262 1.575,1263 1.16,1264 1.068,1265 1.347,1266 1.462,1267 0.347,1268 1.447,1269 0.886,1270 0.821,1271 1.181,1272 1.062,1273 0.218,1274 1.107,1275 0.723,1276 0.689,1277 0.915,1278 0.992,1280 0.989,1281 0.364,1282 0.236,1283 0.755,1284 0.678,1286 0.721,1287 3.761,1289 5.069,1290 3.045,1291 6.547,1292 5.352,1293 8.107,1294 7.391,1295 9.716,1298 5.813,1303 3.443,1305 2.895,1314 21.767,1315 55.104,1316 120.465,1317 142.465,1318 150.465,1319 150.465,1320 150.465,1321 27.036,1322 6.457,1323 57.78,1324 57.78,1325 16,1326 12.052,1327 3.7,1328 2.907,1329 28.009,1330 60,1331 58,1332 0.23,1333 138.031,1334 233.04,1335 328.555,1336 4940,1337 3,1338 13.242,1339 0.697,1340 0.586,1341 13.742,1342 11.127,1343 9.22,1344 0.439,1345 0.319,1346 6.295,1347 8.649,1348 6.143,1349 5.051,1350 9.509,1351 6.704,1352 8.395,1353 0.289,1354 0.178,1355 8.803,1356 5.165,1357 6.808,1358 0.184,1359 0.097,1360 7.097,1361 3.587,1362 5.726,1363 0.119,1364 0.052,1365 5.893,1366 2.512,1367 4.132,1368 0.081,1369 0.029,1370 4.368,1371 1.504,1372 0.361,1373 60.391,1374 0.265,1375 19.229,1376 0.623,1377 100,1378 288.25,1379 123.285,1380 311.842,1381 414.51,1382 290,1383 116,1384 282.204,1385 133.526,1386 294.575,1387 426.26,1388 278,1389 5.1}
{0 CHEMBL2003524,1 1.646,2 7,3 1.76,4 3.096,5 74.385,6 8.18,7 0.478,8 3.687,9 3.777,10 3.327,11 3.195,12 4.899,13 3.217,14 4.214,15 4.359,16 3.712,17 3.569,18 5.42,19 3.588,20 4.328,21 4.451,22 3.867,23 3.698,24 5.652,25 3.724,26 4.389,27 4.508,28 3.846,29 3.749,30 5.774,31 3.75,32 4.526,33 4.697,34 3.718,35 3.729,36 5.676,37 3.69,38 4.486,39 4.678,40 3.556,41 3.542,42 5.705,43 3.492,44 4.362,45 4.586,46 3.188,47 3.235,48 5.62,49 3.167,50 4.014,51 4.257,52 2.497,53 2.845,54 5.219,55 2.704,56 0.098,57 0.494,58 5.951,59 3.165,60 7.21,61 3.555,62 0.395,63 0.771,64 13.212,65 5.167,66 32.148,67 6.105,68 0.441,69 0.881,70 13.745,71 5.766,72 41.358,73 6.587,74 0.395,75 0.943,76 13.752,77 6.178,78 52.282,79 7.117,80 0.47,81 0.99,82 18.677,83 7.418,84 41.147,85 8.997,86 0.596,87 0.901,88 19.313,89 6.818,90 59.185,91 8.625,92 0.782,93 0.736,94 19.529,95 5.476,96 79.361,97 6.976,98 0.525,99 0.518,100 14.029,101 3.862,102 58.7,103 5.005,104 35,105 34,106 0.301,107 0.655,108 0.758,109 0.779,110 0.8,111 0.81,112 3.106,113 0.854,114 -2.21,115 -2.25,116 -2.22,119 42.9,120 1,121 1,124 2,142 2,143 3,144 2,146 2,158 2,172 5,175 6,178 2,180 1,183 5,187 2,188 9,191 1,193 1,196 5,199 2,200 7,205 2,208 4,212 1,213 6,218 2,221 2,224 2,225 5,228 1,230 1,237 2,238 2,241 1,249 1,276 479,277 14.265,278 14.265,279 14.265,280 14.265,281 14.265,282 12.829,283 16.423,284 7.984,285 14.663,286 11.13,287 11.13,288 11.13,289 11.13,290 11.13,291 8.528,292 14.262,293 3.487,294 11.56,295 3.483,296 1.544,297 0.979,298 0.865,299 0.75,300 0.693,301 3.779,304 1,305 1,306 1,307 309,308 2.739,311 35.656,312 76.126,315 60.658,316 65.224,319 0.952,320 29.432,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 47,332 147,333 4.769,334 3.824,335 7.048,336 4.356,337 3.366,338 4.703,339 1.2,340 12.125,341 3.33,342 4.248,343 3.298,344 6.355,345 3.865,346 2.894,347 3.796,348 0.86,349 9.657,350 2.814,351 3.914,352 3.239,353 6.011,354 3.526,355 2.567,356 3.374,357 0.86,358 8.491,359 2.442,360 3.619,361 2.933,362 5.656,363 3.22,364 2.226,365 2.981,366 0.8,367 7.267,368 2.205,369 3.182,370 2.331,371 4.927,372 2.758,373 1.758,374 2.337,376 5.142,377 1.749,378 2.962,379 2.137,380 4.642,381 2.532,382 1.575,383 2.065,385 4.463,386 1.497,387 2.789,388 1.918,389 4.447,390 2.397,391 1.442,392 1.84,394 4.139,395 1.358,396 1.986,397 1.146,398 3.542,399 1.72,400 0.787,401 0.905,403 1.595,404 0.725,405 1.668,406 1.009,407 3.112,408 1.347,409 0.403,410 0.48,412 0.708,413 0.376,414 1.479,415 0.813,416 2.744,417 1.223,418 0.363,419 0.395,421 0.487,422 0.311,423 1.107,424 0.664,425 2.617,426 0.739,427 -0.26,428 -0.34,430 -0.532,431 -0.256,432 1,433 0.13,434 2.421,435 0.583,436 -0.356,437 -0.445,439 -0.761,440 -0.326,441 0.971,442 0.012,443 2.368,444 0.488,445 -0.582,446 -0.847,448 -1.331,449 -0.616,450 0.59,451 -0.495,452 2.335,453 0.141,454 -0.845,455 -1.144,457 -2.429,458 -0.82,459 0.276,460 -0.714,461 1.835,462 -0.071,463 -1.053,464 -1.316,466 -2.754,467 -0.999,468 9.633,469 0.459,470 0.572,471 0.027,472 28,473 1.333,474 14,475 0.667,476 14,477 0.667,478 15.319,479 0.729,480 22.767,481 0.65,482 20.875,483 0.994,484 5.659,485 0.269,486 4.441,487 0.211,488 0.225,490 0.467,496 0.757,497 1.299,498 0.68,499 1.134,500 0.568,501 0.929,502 0.949,503 0.877,504 0.657,505 0.694,506 0.62,507 0.62,508 0.896,509 0.974,510 0.718,511 0.879,512 0.954,513 0.774,514 0.833,515 1.228,516 0.946,517 1.204,518 0.649,519 1.117,520 0.979,521 1.179,522 1.053,523 1.224,524 0.801,525 1.179,526 0.944,527 1.179,528 1.091,529 1.259,530 1.019,531 1.23,532 1.269,533 0.853,534 1.269,535 0.918,536 1.303,537 1.057,538 1.34,539 0.885,540 1.524,541 1.005,542 1.553,543 1.246,544 4.5,546 2.889,547 2.229,548 2,549 1.209,550 0.683,551 0.29,552 0.056,554 3424,555 11267,556 2.018,557 40,558 3,559 8,562 1,563 2,567 1.643,568 1.826,569 2.809,570 -0.244,572 1,574 1,577 57.619,578 1.646,579 3.585,580 4.15,581 4.265,582 4.379,583 4.436,584 2.213,585 4.297,586 4.363,587 2.887,588 606.363,589 7.534,590 6154.94,591 1,592 1,594 1,595 179.525,596 1.545,597 4.289,598 0.196,600 0.085,601 0.057,602 0.054,603 0.039,604 0.028,605 0.019,606 0.009,608 0.488,609 0.67,610 1,611 1.103,612 91.021,613 -0.064,614 -0.157,615 0.046,616 -0.089,617 -0.055,618 -0.007,619 -0.028,620 0.169,621 0.23,622 0.308,623 0.034,624 0.327,625 0.039,626 0.108,627 0.129,628 0.12,629 -0.021,630 0.142,631 0.011,632 -0.135,633 -0.135,634 -0.203,635 0.148,636 -0.203,637 -0.08,638 -0.21,639 -0.127,640 -0.226,641 -0.05,642 -0.2,643 0.058,644 -0.247,645 -0.093,646 -0.296,647 -0.013,648 -0.252,649 -0.028,650 0.033,651 -0.154,652 -0.01,653 -0.047,654 -0.093,655 -0.184,656 -0.003,657 -0.405,658 -0.103,659 -0.184,660 -0.267,661 2.124,662 5,663 0.619,664 13.61,665 1.023,666 1.124,667 0.979,668 0.958,669 0.669,670 3.178,671 3.555,672 3.932,673 4.277,674 4.564,675 4.745,676 4.905,677 4.956,678 4.934,679 4.762,680 4.332,681 0.659,682 286.31,683 3.178,684 4.745,685 5.645,686 6.572,687 7.497,688 8.432,689 9.364,690 10.302,691 11.236,692 12.174,693 5.7,700 1,703 1,708 2,709 2,710 1,714 5,716 11,733 2,735 35,737 13,738 1,739 23,741 37,742 15,743 9,744 4,745 2,746 2,748 3,749 6,754 1,760 1,762 11,763 4,767 2,772 2,776 2,779 1,780 1,783 14,784 6,785 1,786 6,792 2,794 1,797 0.333,798 4,809 1,815 1,816 2,819 1,820 1,843 1,847 3,851 21,858 1,860 1,861 2,874 11.4,877 2,879 2,881 11.5,882 7.533,883 4.778,884 2.121,886 2.602,887 1.369,888 0.975,889 3.299,890 9.656,891 3.45,892 4.119,893 4.826,894 5.515,895 6.177,896 6.644,897 7.095,898 7.439,899 7.764,900 7.787,901 0.8,902 39,903 7.773,905 3.38,906 8.024,907 14.358,909 11.644,911 2.524,912 53,916 153.024,917 85.82,918 34.796,920 72.29,923 85.82,924 225.314,925 34.796,926 30.591,927 20.545,928 18.952,929 76.485,930 46.332,932 153.024,934 153.024,935 120.616,936 72.29,939 153.024,940 72.29,943 34.884,944 68.946,945 16.786,947 153.024,948 107.086,949 85.82,952 153.024,953 36.276,954 49.544,955 18.011,956 89.075,957 153.024,958 107.086,959 85.82,961 0.584,962 0.38,963 0.222,964 0.127,965 18,966 9,967 0.081,968 3,969 2,970 1.308,971 3.083,972 174.759,973 0.308,974 13,975 92.239,981 13.835,982 5.007,983 1.964,984 1.441,985 107.086,986 3.502,987 4.333,991 2.29,993 18.011,994 345.93,995 30.5,1000 23.815,1004 -0.885,1007 35.814,1008 39.325,1009 0.321,1010 0.699,1011 0.809,1012 0.831,1013 0.854,1014 0.865,1015 4.716,1016 0.787,1017 5.673,1018 4.139,1019 4.234,1020 4.804,1021 2.094,1022 6.592,1023 4.176,1024 5.969,1025 0.403,1026 7.303,1027 1.595,1028 4.007,1029 4.89,1031 7.689,1032 3.958,1033 7.328,1034 0.363,1035 9.03,1036 0.708,1037 5.932,1038 7.15,1039 2.099,1040 10.843,1041 5.837,1042 8.727,1043 -0.26,1044 10.812,1045 0.487,1046 6.509,1047 8.031,1049 12.741,1050 6.417,1051 10.157,1052 -0.356,1053 12.627,1054 -0.532,1055 7.941,1056 9.825,1057 2.21,1058 15.435,1059 7.822,1060 11.609,1061 -0.582,1062 14.466,1063 -0.761,1064 8.87,1065 11.062,1067 17.672,1068 8.748,1069 13.078,1070 -0.845,1071 16.322,1072 -1.331,1073 10.132,1074 12.689,1075 2.41,1076 20.217,1077 9.994,1078 3.366,1079 -1.053,1080 18.192,1081 -2.429,1082 11.212,1083 14.091,1085 22.597,1086 11.07,1087 2.894,1088 12.125,1089 20.072,1090 -2.754,1091 12.42,1092 15.658,1093 2.673,1094 25.097,1095 12.267,1096 2.567,1097 9.657,1098 21.962,1099 4.703,1100 13.566,1101 17.135,1103 27.539,1104 13.407,1105 2.226,1106 8.491,1107 23.86,1108 3.796,1109 14.76,1110 18.683,1111 2.977,1112 30.027,1113 14.593,1114 1.758,1115 7.267,1116 25.765,1117 3.374,1118 15.936,1119 20.195,1121 32.496,1122 15.761,1123 1.575,1124 5.142,1125 27.675,1126 2.981,1127 17.13,1128 21.738,1129 3.305,1130 34.984,1131 16.948,1132 1.442,1133 4.463,1134 29.59,1135 2.337,1136 18.32,1137 23.267,1139 37.465,1140 18.13,1141 3502,1142 6457,1143 14.74,1144 23.398,1145 34.71,1146 37.329,1147 38.261,1148 34.583,1149 34.763,1150 45.749,1151 7.44,1152 108.15,1153 33.612,1154 5.602,1155 5.824,1156 6.59,1157 5.405,1158 5.366,1159 7.703,1160 2.4,1161 19.761,1162 5.33,1163 12.275,1164 1.509,1165 1.623,1166 1.664,1167 1.504,1168 1.511,1169 1.989,1170 0.323,1171 4.702,1172 1.461,1173 4.134,1174 4.148,1175 4.115,1176 4.059,1177 7.45,1178 4.07,1179 3.697,1180 3.71,1181 3.668,1182 3.516,1183 7.408,1184 3.551,1185 3.524,1186 3.585,1187 3.402,1188 3.37,1189 4.988,1190 3.364,1191 3.246,1192 3.313,1193 3.081,1194 2.981,1195 4.674,1196 2.994,1197 3.235,1198 3.301,1199 3.04,1200 2.951,1201 4.496,1202 2.96,1203 2.989,1204 3.047,1205 2.915,1206 2.771,1207 4.073,1208 2.776,1209 2.859,1210 2.899,1211 2.703,1212 2.652,1213 4.011,1214 2.651,1215 2.79,1216 2.807,1217 2.655,1218 2.547,1219 3.755,1220 2.593,1221 0.207,1222 0.166,1223 0.306,1224 0.189,1225 0.146,1226 4.769,1227 0.204,1228 3.824,1229 0.052,1230 7.048,1231 0.527,1232 4.356,1233 0.145,1234 3.366,1235 4.703,1236 1.2,1237 12.125,1238 3.33,1239 2.051,1240 2.04,1241 2.101,1242 2.127,1243 1.308,1244 2.118,1245 1.542,1246 1.499,1247 1.798,1248 1.749,1249 0.963,1250 1.757,1251 1.4,1252 1.37,1253 1.603,1254 1.627,1255 0.632,1256 1.603,1257 1.288,1258 1.258,1259 1.575,1260 1.598,1261 0.575,1262 1.556,1263 1.191,1264 1.115,1265 1.394,1266 1.522,1267 0.477,1268 1.538,1269 1.11,1270 1.038,1271 1.342,1272 1.353,1273 0.306,1274 1.362,1275 0.9,1276 0.83,1277 1.161,1278 1.094,1279 0.2,1280 1.118,1281 0.624,1282 0.583,1283 0.966,1284 0.874,1285 0.075,1286 0.895,1287 3.85,1289 5.209,1290 2.398,1291 6.788,1292 4.844,1293 8.471,1294 7.018,1295 10.214,1297 5.017,1303 0.64,1305 2.279,1306 10.569,1314 23.063,1315 57.619,1316 125.471,1317 145.26,1318 149.26,1319 153.26,1320 155.26,1321 40.136,1322 7.054,1323 81.28,1324 81.28,1325 17,1326 12.672,1327 3.807,1328 3.087,1329 31.78,1330 55,1331 53,1332 0.307,1333 141.557,1334 247.86,1335 337.159,1336 8778,1338 15.146,1339 0.721,1340 0.569,1341 15.146,1342 11.942,1343 10.1,1344 0.439,1345 0.285,1346 6.403,1347 9.54,1348 6.185,1349 5.157,1350 10.1,1351 6.546,1352 8.971,1353 0.264,1354 0.137,1355 8.971,1356 4.672,1357 8.24,1358 0.165,1359 0.072,1360 8.24,1361 3.592,1362 7.261,1363 0.102,1364 0.037,1365 7.261,1366 2.592,1367 6.002,1368 0.063,1369 0.019,1370 6.002,1371 1.796,1372 0.447,1373 64.802,1374 0.26,1375 19.817,1376 0.958,1377 114,1378 406.92,1379 128.293,1380 378.481,1381 512.45,1382 354,1383 141,1384 371.434,1385 155.656,1386 374.644,1387 556.66,1388 350,1389 6}
{0 CHEMBL2003638,1 1.647,2 13.065,3 4.439,4 19.7,5 116.372,6 8.593,7 0.771,8 4.012,9 4.127,10 3.704,11 3.597,12 5.248,13 3.604,14 4.48,15 4.617,16 4.061,17 3.978,18 5.716,19 3.972,20 4.703,21 4.887,22 4.044,23 4.034,24 5.9,25 4.001,26 4.737,27 4.955,28 3.986,29 3.933,30 5.924,31 3.907,32 4.626,33 4.836,34 3.976,35 3.839,36 5.988,37 3.836,38 4.521,39 4.717,40 3.897,41 3.827,42 5.724,43 3.813,44 4.513,45 4.72,46 3.863,47 3.816,48 5.71,49 3.784,50 4.433,51 4.625,52 3.751,53 3.773,54 5.689,55 3.727,56 0.134,57 0.835,58 7.057,59 3.825,60 9.192,61 4.325,62 0.227,63 1.303,64 12.425,65 6.229,66 15.918,67 7.24,68 0.344,69 1.541,70 19.258,71 8.217,72 41.461,73 9.71,74 0.473,75 1.518,76 22.739,77 7.948,78 52.177,79 9.733,80 0.623,81 1.371,82 20.578,83 6.807,84 82.998,85 8.28,86 0.384,87 1.27,88 16.762,89 6.166,90 40.003,91 7.276,92 0.448,93 1.275,94 17.071,95 6.451,96 37.432,97 8.005,98 0.357,99 1.191,100 15.525,101 6.525,102 42.519,103 7.871,104 5,105 49,106 0.272,107 0.588,108 0.726,109 0.86,110 0.888,111 0.888,112 3.472,113 0.827,114 -5.4,115 -5.28,116 -4.93,119 47.9,125 1,142 12,143 4,144 1,146 2,151 1,153 1,158 1,166 2,168 1,172 14,174 1,175 5,178 1,179 1,180 3,183 14,188 11,191 1,193 5,196 7,200 14,203 1,205 6,208 1,212 1,213 12,218 4,221 4,224 1,225 7,228 2,230 1,233 9,237 2,238 3,241 4,243 1,246 15,249 1,250 2,258 14,263 2,264 5,269 2,272 9,276 1689,277 21.325,278 21.325,279 21.325,280 21.325,281 21.325,282 18.046,283 17.529,284 12.637,285 21.583,286 17.33,287 17.33,288 17.33,289 17.33,290 17.33,291 12.422,292 24.912,293 6.078,294 17.756,295 3.938,296 2.023,297 1.188,298 0.375,299 0.208,300 0.208,301 4.183,305 1,306 1,307 899,308 3.082,311 155.424,312 292.651,315 129.431,319 2.2,320 30.562,323 0.75,324 1,325 1,326 0.4,328 1,329 1,330 0.74,331 67.5,332 405,333 4.578,334 3.585,335 6.577,336 4.114,337 3.137,338 4.522,339 1.058,340 10.481,341 3.065,342 4.247,343 3.127,344 6.153,345 3.862,346 2.884,347 3.88,348 0.522,349 9.133,350 2.833,351 4.184,352 2.961,353 6.046,354 3.777,355 2.792,356 3.785,358 8.69,359 2.733,360 3.914,361 2.88,362 5.547,363 3.54,364 2.553,365 3.451,367 7.555,368 2.522,369 3.638,370 2.692,371 5.169,372 3.207,373 2.252,374 3.041,376 6.282,377 2.139,378 3.553,379 2.222,380 5.046,381 3.114,382 2.142,383 2.918,385 6.063,386 2.069,387 3.305,388 2.005,389 4.951,390 2.847,391 1.892,392 2.63,394 5.622,395 1.8,396 2.939,397 1.892,398 4.323,399 2.483,400 1.496,401 2.124,403 3.996,404 1.476,405 2.835,406 1.563,407 4.134,408 2.353,409 1.368,410 1.953,412 3.499,413 1.336,414 2.77,415 1.355,416 3.894,417 2.279,418 1.301,419 1.879,421 3.035,422 1.266,423 2.62,424 1.202,425 3.576,426 2.136,427 1.157,428 1.673,430 2.904,431 1.13,432 2.526,433 1.19,434 3.466,435 2.008,436 1.008,437 1.5,439 2.444,440 1.002,441 2.5,442 1,443 3.28,444 2,445 1,446 1.487,448 2.136,449 1,450 2.206,451 0.819,452 3.247,453 1.706,454 0.725,455 1.064,457 1.736,458 0.71,459 2.087,460 0.674,461 3.235,462 1.591,463 0.6,464 0.882,466 1.493,467 0.593,468 14.519,469 0.468,470 0.691,471 0.022,472 45.75,473 1.476,474 26,475 0.839,476 19.75,477 0.637,478 20.549,479 0.663,480 31.081,481 0.648,482 35.114,483 1.133,484 9.422,485 0.304,486 5.731,487 0.185,488 0.043,490 0.337,494 1,496 0.563,497 0.873,498 0.64,499 0.852,500 0.522,501 0.783,502 0.654,503 1.069,504 0.791,505 1.037,506 0.571,507 0.966,508 1.004,509 1.155,510 1.045,511 1.16,512 0.967,513 1.124,514 1.101,515 1.083,516 1.034,517 1.011,518 1.008,519 0.996,520 1.026,521 0.936,522 0.906,523 0.827,524 0.93,525 0.821,526 1.025,527 0.929,528 0.987,529 0.889,530 0.909,531 0.908,532 0.737,533 0.692,534 0.933,535 0.861,536 0.742,537 0.919,538 0.939,539 0.971,540 1.012,541 1.025,542 0.985,543 1.039,544 6,545 0.146,546 3.111,547 1.764,548 1.432,549 0.893,550 0.541,551 0.406,552 0.247,553 0.222,554 14743,555 43156,556 2.18,557 35.4,559 14,560 1,562 2,567 1.735,568 2.09,569 3.675,570 0.225,572 1,577 79.04,578 1.647,579 3.562,580 4.397,581 5.21,582 5.377,583 5.377,584 3.112,585 4.761,586 4.922,587 3.846,588 1788.41,589 8.589,590 26023.4,592 1,594 1,595 268.078,596 1.215,597 4.907,598 0.171,599 0.005,600 0.063,601 0.038,602 0.034,603 0.021,604 0.014,605 0.011,606 0.007,607 0.007,608 0.373,609 0.17,610 0.88,611 0.415,612 162.865,613 0.066,614 0.122,615 0.044,616 0.055,617 -0.033,618 0.042,619 0.046,620 -0.089,621 -0.033,622 -0.112,623 0.023,624 -0.1,625 -0.101,626 -0.178,627 -0.13,628 -0.194,629 -0.075,630 -0.175,631 -0.112,632 -0.164,633 -0.018,634 -0.067,635 -0.06,636 -0.027,637 0.092,638 0.016,639 0.112,640 0.106,641 0.195,642 0.12,643 -0.112,644 0.018,645 -0.057,646 0.025,647 -0.087,648 0.004,649 0.12,650 0.243,651 0.016,652 0.072,653 0.004,654 0.026,655 0.032,656 0.036,657 -0.06,658 -0.022,659 0.031,660 -0.054,661 2.136,662 5.489,663 0.839,664 36.11,665 1.016,666 1.126,667 4.167,668 17.368,669 0.708,670 3.584,671 3.912,672 4.19,673 4.466,674 4.663,675 4.745,676 4.927,677 5.081,678 5.198,679 5.328,680 7.62,681 0.696,682 412.46,683 3.584,684 5.13,685 5.984,686 6.862,687 7.731,688 8.613,689 9.489,690 10.374,691 11.255,692 12.143,693 12.5,700 1,701 2,703 3,708 2,709 13,710 3,711 1,714 6,715 1,716 27,723 1,734 1,735 48,737 28,738 3,739 35,741 52,742 23,743 21,744 6,745 12,746 1,748 5,749 6,762 22,763 1,767 1,772 1,776 1,780 1,781 1,783 17,784 6,785 2,786 8,792 6,797 0.8,798 1,807 1,815 2,816 3,819 1,843 4,849 1,851 31,858 1,860 1,871 1,873 1,874 2.1,877 1,881 14.833,882 8.693,883 6.694,884 2.731,886 4.913,887 1.594,888 1.053,889 5.028,890 13.183,891 3.922,892 4.57,893 5.19,894 5.807,895 6.304,896 6.622,897 7.117,898 7.579,899 7.945,900 8.357,901 0.889,902 46,903 11.428,905 4.989,906 7.871,907 21.416,909 17.672,911 2.371,912 73.5,915 1,916 176.567,917 158.052,918 86.317,920 25.145,921 14.96,923 158.052,924 201.711,925 101.277,927 20.116,928 122.762,929 79.716,930 46.919,931 26.731,932 164.795,934 176.567,935 244.369,936 40.105,939 191.527,940 25.145,943 45.785,944 148.718,945 49.867,947 191.527,948 111.462,949 158.052,952 176.567,953 35.29,954 124.539,955 34.674,956 89.972,957 176.567,958 126.422,959 158.052,961 0.582,962 0.337,963 0.184,964 0.097,965 25,966 10,967 0.096,968 5,969 1,970 1.077,971 4.395,972 283.165,973 0.077,974 26,975 149.58,981 19.164,982 8.133,983 4.09,984 1.412,985 107.982,986 23.034,987 12.711,988 2.829,991 2.871,992 1.775,993 34.674,994 461.041,995 49.5,1000 12.489,1004 -0.427,1007 48.752,1008 54.03,1009 0.295,1010 0.638,1011 0.787,1012 0.933,1013 0.963,1014 0.963,1015 5.14,1016 1.496,1017 5.958,1018 5.622,1019 4.595,1020 5.257,1021 1.331,1022 6.751,1023 4.548,1024 6.36,1025 1.368,1026 7.501,1027 3.996,1028 4.111,1029 4.997,1031 7.573,1032 4.029,1033 7.666,1034 1.301,1035 9.139,1036 3.499,1037 6.172,1038 7.499,1039 1.297,1040 10.672,1041 6.08,1042 9.009,1043 1.157,1044 10.835,1045 3.035,1046 6.524,1047 8.103,1049 12.339,1050 6.403,1051 10.383,1052 1.008,1053 12.568,1054 2.904,1055 8.023,1056 10.025,1057 1.348,1058 14.927,1059 7.891,1060 11.78,1061 1,1062 14.328,1063 2.444,1064 8.764,1065 11.053,1067 16.952,1068 8.605,1069 13.195,1070 0.725,1071 16.106,1072 2.136,1073 10.031,1074 12.725,1075 1.425,1076 19.362,1077 9.858,1078 3.137,1079 0.6,1080 17.9,1081 1.736,1082 10.96,1083 13.975,1085 21.547,1086 10.763,1087 2.884,1088 10.481,1089 19.704,1090 1.493,1091 12.129,1092 15.535,1093 1.51,1094 23.894,1095 11.915,1096 2.792,1097 9.133,1098 21.518,1099 4.522,1100 13.151,1101 16.902,1103 26.154,1104 12.913,1105 2.553,1106 8.69,1107 23.339,1108 3.88,1109 14.281,1110 18.416,1111 1.599,1112 28.483,1113 14.023,1114 2.252,1115 7.555,1116 25.167,1117 3.785,1118 15.349,1119 19.844,1121 30.778,1122 15.067,1123 2.142,1124 6.282,1125 27,1126 3.451,1127 16.466,1128 21.341,1129 1.69,1130 33.105,1131 16.163,1132 1.892,1133 6.063,1134 28.837,1135 3.041,1136 17.558,1137 22.802,1139 35.42,1140 17.231,1141 13576,1142 23425,1143 24.156,1144 33.995,1145 53.379,1146 53.651,1147 53.287,1148 52.718,1149 52.611,1150 73.576,1151 3.16,1152 150.137,1153 51.347,1154 5.414,1155 5.585,1156 6.379,1157 5.154,1158 5.137,1159 7.522,1160 2.117,1161 17.294,1162 5.065,1163 10.536,1164 1.525,1165 1.533,1166 1.522,1167 1.506,1168 1.503,1169 2.102,1170 0.09,1171 4.29,1172 1.467,1173 4.131,1174 4.173,1175 4.102,1176 4.021,1177 8.201,1178 4.034,1179 3.95,1180 4.002,1181 3.898,1182 3.856,1183 7.429,1184 3.854,1185 3.914,1186 3.938,1187 3.868,1188 3.839,1189 5.139,1190 3.842,1191 3.772,1192 3.829,1193 3.725,1194 3.567,1195 5.027,1196 3.605,1197 3.42,1198 3.477,1199 3.359,1200 3.209,1201 4.737,1202 3.238,1203 3.221,1204 3.265,1205 3.169,1206 3.014,1207 4.606,1208 3.039,1209 3.039,1210 3.105,1211 2.914,1212 2.898,1213 4.325,1214 2.896,1215 2.896,1216 2.956,1217 2.804,1218 2.735,1219 3.92,1220 2.734,1221 0.131,1222 0.102,1223 0.188,1224 0.118,1225 0.09,1226 4.578,1227 0.129,1228 3.585,1229 0.03,1230 6.577,1231 0.299,1232 4.114,1233 0.088,1234 3.137,1235 4.522,1236 1.058,1237 10.481,1238 3.065,1239 1.951,1240 1.93,1241 2.046,1242 2.031,1243 1.185,1244 2.034,1245 1.912,1246 1.882,1247 2.015,1248 2.009,1249 1.151,1250 2.014,1251 1.887,1252 1.865,1253 1.982,1254 1.975,1255 1.059,1256 1.978,1257 1.464,1258 1.407,1259 1.618,1260 1.745,1261 0.76,1262 1.693,1263 1.418,1264 1.347,1265 1.539,1266 1.695,1267 0.549,1268 1.67,1269 1.214,1270 1.154,1271 1.337,1272 1.455,1273 0.431,1274 1.409,1275 1.061,1276 1.03,1277 1.211,1278 1.321,1279 0.244,1280 1.275,1281 0.886,1282 0.821,1283 1.181,1284 1.071,1285 0.218,1286 1.107,1287 4.263,1289 5.587,1290 3.045,1291 7.094,1292 5.352,1293 8.681,1294 7.402,1295 10.311,1299 13.424,1303 0.622,1305 2.76,1314 33.387,1315 79.04,1316 170.953,1317 211.059,1318 250.078,1319 258.078,1320 258.078,1321 50.563,1322 8.27,1323 88.49,1324 88.49,1325 28,1326 12.675,1327 4.858,1328 3.954,1329 43.762,1330 141,1331 144,1332 0.149,1333 202.331,1334 336.7,1335 485.449,1336 52045,1337 2.1,1338 21.209,1339 0.684,1340 0.525,1341 20.338,1342 16.288,1343 15.153,1344 0.433,1345 0.276,1346 9.511,1347 14.552,1348 9.357,1349 7.747,1350 14.759,1351 9.651,1352 13.758,1353 0.281,1354 0.145,1355 13.124,1356 7.082,1357 11.699,1358 0.18,1359 0.075,1360 11.371,1361 4.901,1362 9.919,1363 0.115,1364 0.039,1365 9.624,1366 3.359,1367 7.855,1368 0.075,1369 0.021,1370 7.58,1371 2.189,1372 0.238,1373 95.198,1374 0.203,1375 29.491,1376 0.398,1377 168,1378 551.093,1379 185.174,1380 516.722,1381 707.12,1382 482,1383 198,1384 533.134,1385 216.059,1386 533.666,1387 773.62,1388 502,1389 5.6}
{0 CHEMBL2003657,1 1.882,2 10.129,3 4.873,4 23.748,5 119.214,6 9.298,7 0.714,8 4.037,9 4.128,10 3.952,11 3.679,12 5.19,13 3.638,14 4.565,15 4.692,16 4.346,17 4.092,18 5.896,19 4.045,20 4.781,21 4.931,22 4.377,23 4.198,24 6.051,25 4.143,26 4.898,27 5.071,28 4.321,29 4.194,30 6.276,31 4.155,32 4.802,33 4.955,34 4.319,35 4.253,36 6.02,37 4.18,38 4.906,39 5.093,40 4.27,41 4.282,42 6.049,43 4.163,44 4.852,45 5.072,46 4.242,47 4.158,48 5.931,49 4.033,50 4.686,51 4.878,52 4.292,53 3.993,54 5.999,55 3.911,56 0.139,57 0.867,58 9.167,59 4.69,60 20.331,61 4.574,62 0.455,63 1.434,64 18.096,65 8.201,66 51.987,67 8.697,68 0.487,69 1.722,70 29.396,71 10.98,72 57.352,73 10.496,74 0.917,75 1.742,76 29.314,77 10.64,78 134.252,79 10.203,80 0.478,81 1.652,82 20.609,83 9.883,84 60.822,85 10.287,86 0.567,87 1.863,88 30.11,89 12.24,90 60.186,91 13.352,92 0.604,93 1.728,94 33.391,95 12.687,96 54.192,97 15.097,98 0.496,99 1.562,100 28.191,101 10.375,102 47.647,103 10.65,104 39,105 54,106 0.31,107 0.663,108 0.763,109 0.816,110 0.825,111 0.825,112 3.473,113 1.02,114 -4.63,115 -4.55,116 -4.28,119 42.9,120 2,127 1,142 7,143 2,144 1,146 2,151 2,152 2,162 2,163 1,164 1,165 1,172 7,174 5,175 6,177 2,178 2,183 7,188 16,196 4,199 2,200 11,202 2,203 2,205 2,208 6,210 2,212 1,213 9,218 4,221 13,223 4,224 2,225 3,233 13,237 3,238 4,240 1,241 1,246 4,249 2,250 9,252 1,253 1,255 1,260 1,264 10,269 3,272 2,274 3,276 1512,277 20.496,278 20.496,279 20.496,280 20.496,281 20.496,282 17.396,283 7.701,284 11.46,285 21.268,286 17.237,287 17.237,288 17.237,289 17.237,290 17.237,291 12.371,292 5.439,293 5.39,294 18.519,295 3.733,296 1.588,297 0.978,298 0.658,299 0.602,300 0.602,301 4.173,305 1,306 1,307 687,308 3.808,311 196.686,312 150.457,314 108.25,315 111.285,319 1.44,320 44.428,323 1,324 0.83,325 1,326 0.4,328 1,329 1,330 0.75,331 68,332 314,333 5.021,334 4.704,335 7.765,336 4.521,337 3.592,338 4.953,340 14.107,341 3.325,342 4.736,343 3.336,344 7.021,345 4.266,346 3.322,347 4.675,349 12.06,350 3.146,351 4.374,352 3.105,353 6.475,354 3.833,355 2.889,356 4.216,358 9.798,359 2.723,360 4.062,361 2.906,362 5.998,363 3.596,364 2.642,365 3.697,367 8.453,368 2.513,369 3.806,370 2.504,371 5.729,372 3.322,373 2.398,374 3.314,376 7.633,377 2.195,378 3.574,379 2.417,380 5.428,381 3.143,382 2.205,383 2.96,385 6.161,386 2.045,387 3.325,388 2.049,389 5.041,390 2.873,391 1.937,392 2.634,394 5.992,395 1.801,396 3.072,397 1.743,398 4.816,399 2.579,400 1.635,401 2.334,403 4.92,404 1.537,405 2.903,406 1.475,407 4.588,408 2.349,409 1.414,410 2.098,412 4.235,413 1.314,414 2.872,415 1.404,416 4.406,417 2.292,418 1.391,419 2.047,421 3.964,422 1.254,423 2.51,424 1.315,425 4.215,426 2.256,427 1.266,428 1.5,430 3.06,431 1.231,432 2.5,433 1,434 3.444,435 2,436 1,437 1.47,439 2.275,440 1,441 2.438,442 0.985,443 3.414,444 1.842,445 0.953,446 1.408,448 2.253,449 0.83,450 2.066,451 0.589,452 3.413,453 1.521,454 0.571,455 0.837,457 1.535,458 0.539,459 1.698,460 0.358,461 3.297,462 1.133,463 0.24,464 0.342,466 0.695,467 0.212,468 15.119,469 0.488,470 1.075,471 0.035,472 44.25,473 1.427,474 23.5,475 0.758,476 20.75,477 0.669,478 26.477,479 0.854,480 32.281,481 0.659,482 35.847,483 1.156,484 8.117,485 0.262,486 6.652,487 0.215,488 0.156,489 0.055,490 0.384,494 1,496 0.575,497 1.138,498 0.734,499 1.039,500 0.658,501 0.827,502 0.513,503 0.97,504 0.792,505 0.941,506 0.53,507 0.807,508 1.12,509 1.148,510 1.182,511 1.164,512 1.007,513 0.945,514 1.391,515 0.773,516 0.966,517 0.7,518 1.382,519 0.799,520 0.911,521 0.858,522 0.894,523 0.852,524 0.856,525 1.003,526 0.697,527 0.871,528 1.121,529 1.095,530 0.643,531 1.183,532 0.506,533 0.887,534 0.827,535 0.964,536 0.609,537 0.954,538 0.869,539 1.147,540 0.741,541 0.98,542 0.839,543 0.927,544 7.5,545 0.193,546 4.889,547 3.201,548 2.416,549 1.279,550 0.779,551 0.886,552 0.676,553 0.419,554 11616,555 38323,556 2.092,557 36.7,559 8,560 2,562 2,564 6,567 1.744,568 1.908,569 3.293,570 0.289,577 92.214,578 1.882,579 4.026,580 4.637,581 4.956,582 5.012,583 5.012,584 2.729,585 4.632,586 4.927,587 3.442,588 1600.3,589 8.646,590 21546.4,595 275.121,596 1.678,597 4.857,598 0.214,599 0.009,600 0.091,601 0.057,602 0.044,603 0.024,604 0.016,605 0.02,606 0.016,607 0.012,608 0.502,609 0.17,610 0.88,611 0.938,612 156.902,613 0.019,614 -0.13,615 0.152,616 -0.047,617 -0.142,618 0.034,619 0.258,620 0.015,621 0.122,622 0.032,623 0.172,624 0.082,625 -0.162,626 -0.13,627 -0.126,628 -0.11,629 -0.052,630 -0.01,631 -0.211,632 0.142,633 -0.124,634 0.161,635 -0.107,636 0.085,637 -0.174,638 0.008,639 -0.125,640 0.006,641 -0.119,642 -0.108,643 -0.032,644 0.017,645 -0.18,646 -0.132,647 -0.052,648 -0.204,649 0.216,650 -0.032,651 0.194,652 0.044,653 0.048,654 0.121,655 0.103,656 -0.173,657 0.282,658 0.016,659 0.111,660 0.061,661 4.625,662 5.909,663 0.742,664 25.831,665 1.021,666 1.122,667 3.402,668 11.572,669 0.724,670 3.584,671 4.007,672 4.357,673 4.691,674 4.934,675 5.118,676 5.342,677 5.537,678 5.694,679 5.817,680 6.071,681 0.694,682 455.58,683 3.584,684 5.187,685 6.089,686 7.024,687 7.948,688 8.887,689 9.819,690 10.761,691 11.697,692 12.64,693 10.2,697 1,701 2,703 2,708 3,709 9,710 2,713 1,714 6,715 1,716 25,727 1,734 1,735 49,737 27,738 2,739 35,741 53,742 21,743 18,744 5,745 7,748 5,749 7,754 2,760 1,762 18,763 3,767 2,770 1,772 2,781 1,783 18,784 6,785 2,786 10,787 2,789 2,792 5,797 0.6,798 2,815 3,816 2,818 1,819 1,843 3,845 2,847 2,849 1,851 31,852 1,855 1,863 1,868 1,873 1,874 4.1,877 2,881 16.25,882 9.526,883 6.472,884 2.855,886 5.069,887 1.604,888 1.056,889 4.737,890 13.465,891 3.922,892 4.68,893 5.369,894 6.072,895 6.64,896 7.156,897 7.719,898 8.238,899 8.724,900 9.196,901 0.857,902 56,903 11.756,905 5.552,906 7.987,907 21.577,909 18.674,911 2.487,912 77.083,915 1,916 188.338,917 164.959,918 68.048,920 44.313,921 14.96,922 37.085,923 127.874,924 232.651,925 83.008,926 17.65,928 121.735,929 77.884,930 23.872,931 43.403,932 196.073,934 188.338,935 195.922,936 59.273,937 37.085,939 132.671,940 114.94,943 26.03,944 136.32,945 39.378,946 31.278,947 203.298,948 112.361,949 164.959,951 5.807,952 188.338,953 58.471,954 102.26,956 125.741,957 188.338,958 127.321,959 164.959,961 0.609,962 0.37,963 0.197,964 0.108,965 30,966 14,967 0.075,968 4,969 2,970 1.174,971 3.979,972 312.867,973 0.174,974 23,975 145.58,977 1,980 1,981 20.313,982 7.23,983 3.194,984 1.663,985 125.741,986 15.307,987 8.954,990 1.478,991 2.558,992 1.097,993 32.897,994 480.618,995 49.5,998 -3.708,1000 25.817,1007 50.014,1008 54.996,1009 0.335,1010 0.717,1011 0.826,1012 0.883,1013 0.893,1014 0.893,1015 5.2,1016 1.635,1017 6.146,1018 5.992,1019 4.691,1020 5.368,1022 7.091,1023 4.561,1024 6.494,1025 1.414,1026 7.799,1027 4.92,1028 4.575,1029 5.539,1031 8.39,1032 4.364,1033 7.881,1034 1.391,1035 9.562,1036 4.235,1037 6.45,1038 7.813,1040 11.528,1041 6.195,1042 9.313,1043 1.266,1044 11.393,1045 3.964,1046 7.148,1047 8.802,1049 13.67,1050 6.802,1051 10.781,1052 1,1053 13.269,1054 3.06,1055 8.572,1056 10.602,1058 16.415,1059 8.183,1060 12.274,1061 0.953,1062 15.178,1063 2.275,1064 9.599,1065 11.929,1067 18.863,1068 9.12,1069 13.788,1070 0.571,1071 17.112,1072 2.253,1073 10.886,1074 13.57,1076 21.508,1077 10.354,1078 3.592,1079 0.24,1080 19.066,1081 1.535,1082 12.045,1083 15.038,1085 24.067,1086 11.429,1087 3.322,1088 14.107,1089 21.034,1090 0.695,1091 13.296,1092 16.627,1094 26.692,1095 12.617,1096 2.889,1097 12.06,1098 23.016,1099 4.953,1100 14.508,1101 18.154,1103 29.293,1104 13.749,1105 2.642,1106 9.798,1107 25.007,1108 4.675,1109 15.754,1110 19.729,1112 31.918,1113 14.925,1114 2.398,1115 8.453,1116 27.007,1117 4.216,1118 16.99,1119 21.282,1121 34.537,1122 16.083,1123 2.205,1124 7.633,1125 29.013,1126 3.697,1127 18.24,1128 22.855,1130 37.166,1131 17.259,1132 1.937,1133 6.161,1134 31.026,1135 3.314,1136 19.488,1137 24.422,1139 39.795,1140 18.43,1141 11007,1142 20151,1143 22.887,1144 35.5,1145 55.482,1146 55.767,1147 57.53,1148 54.935,1149 54.913,1150 76.97,1152 174.28,1153 51.333,1154 5.792,1155 6.704,1156 7.253,1157 5.665,1158 5.592,1159 7.953,1161 22.432,1162 5.325,1163 17.705,1164 1.585,1165 1.593,1166 1.644,1167 1.57,1168 1.569,1169 2.199,1171 4.979,1172 1.467,1173 4.238,1174 4.257,1175 4.771,1176 4.157,1177 8.201,1178 4.129,1179 4.099,1180 4.118,1181 4.358,1182 4.025,1183 7.715,1184 3.977,1185 3.853,1186 3.878,1187 3.958,1188 3.793,1189 6.999,1190 3.773,1191 3.811,1192 3.814,1193 3.843,1194 3.77,1195 5.204,1196 3.704,1197 3.4,1198 3.463,1199 3.44,1200 3.272,1201 5.032,1202 3.26,1203 3.203,1204 3.226,1205 3.178,1206 3.087,1207 4.707,1208 3.059,1209 3.12,1210 3.169,1211 3.098,1212 2.926,1213 4.592,1214 2.905,1215 2.874,1216 3.009,1217 2.832,1218 2.736,1219 4.126,1220 2.72,1221 0.143,1222 0.134,1223 0.222,1224 0.129,1225 0.103,1226 5.021,1227 0.142,1228 4.704,1230 7.765,1231 0.403,1232 4.521,1233 0.095,1234 3.592,1235 4.953,1237 14.107,1238 3.325,1239 1.991,1240 1.982,1241 2.036,1242 2.078,1243 1.302,1244 2.098,1245 1.89,1246 1.878,1247 1.963,1248 1.984,1249 1.164,1250 2.001,1251 1.8,1252 1.794,1253 1.886,1254 1.916,1255 1.054,1256 1.933,1257 1.515,1258 1.465,1259 1.615,1260 1.72,1261 0.748,1262 1.691,1263 1.385,1264 1.364,1265 1.496,1266 1.662,1267 0.581,1268 1.652,1269 1.361,1270 1.309,1271 1.417,1272 1.445,1273 0.539,1274 1.464,1275 1.176,1276 1.146,1277 1.263,1278 1.303,1279 0.469,1280 1.336,1281 0.973,1282 0.949,1283 1.181,1284 1.239,1285 0.363,1286 1.308,1287 4.263,1289 5.659,1290 3.434,1291 7.242,1292 5.861,1293 8.912,1294 8.015,1295 10.632,1297 3.2,1299 13.467,1301 5.976,1308 -0.663,1314 33.982,1315 92.214,1316 197.288,1317 227.205,1318 242.856,1319 245.611,1320 245.611,1321 63.219,1322 8.396,1323 95.28,1324 131.9,1325 27,1326 13.135,1327 4.807,1328 3.954,1329 43.317,1330 112,1331 127,1332 0.191,1333 211.393,1334 344.83,1335 507.558,1336 52133,1337 2,1338 21.913,1339 0.707,1340 0.59,1341 21.647,1342 18.284,1343 14.769,1344 0.422,1345 0.34,1346 9.585,1347 12.933,1348 9.127,1349 7.54,1350 15.618,1351 11.896,1352 14.564,1353 0.27,1354 0.197,1355 15.891,1356 10.614,1357 12.677,1358 0.165,1359 0.104,1360 14.313,1361 7.981,1362 10.709,1363 0.099,1364 0.05,1365 12.236,1366 5.427,1367 8.685,1368 0.063,1369 0.027,1370 9.839,1371 3.785,1372 0.29,1373 105.028,1374 0.209,1375 28.239,1376 0.556,1377 178,1378 581.196,1379 260.606,1380 582.266,1381 799.63,1382 538,1383 220,1384 566.185,1385 306.506,1386 615.569,1387 915.7,1388 579,1389 5.1}
{0 CHEMBL2003768,1 1.647,2 10.8,3 1.312,4 1.721,5 93.289,6 8.08,7 0.444,8 3.862,9 3.952,10 3.481,11 3.351,12 5.121,13 3.373,14 4.293,15 4.441,16 3.752,17 3.621,18 5.494,19 3.642,20 4.391,21 4.53,22 3.827,23 3.705,24 5.726,25 3.706,26 4.477,27 4.646,28 3.714,29 3.724,30 5.677,31 3.678,32 4.516,33 4.726,34 3.682,35 3.724,36 5.599,37 3.673,38 4.521,39 4.709,40 3.701,41 3.652,42 5.727,43 3.64,44 4.409,45 4.578,46 3.646,47 3.579,48 5.734,49 3.553,50 4.444,51 4.684,52 3.451,53 3.473,54 5.609,55 3.414,56 0.126,57 0.59,58 7.535,59 3.703,60 13.803,61 4.155,62 0.329,63 0.861,64 14.106,65 5.203,66 26.257,67 6.121,68 0.444,69 0.958,70 14.85,71 5.887,72 48.021,73 7.123,74 0.566,75 0.999,76 17.541,77 6.676,78 46.277,79 8.329,80 0.36,81 1.019,82 19.588,83 7.219,84 39.289,85 9.526,86 0.577,87 0.964,88 20.429,89 6.654,90 52.974,91 8.033,92 0.507,93 0.893,94 16.774,95 6.188,96 51.605,97 7.637,98 0.577,99 0.856,100 20.754,101 6.462,102 62.265,103 8.745,104 21,105 37,106 0.288,107 0.645,108 0.754,109 0.81,110 0.827,111 0.86,112 3.267,113 0.835,114 -1.21,115 -1.31,116 -1.38,119 42.9,124 2,125 1,138 2,142 5,143 1,144 3,145 2,156 2,172 2,175 9,183 4,187 1,188 3,191 2,192 1,196 1,199 3,200 4,203 2,213 3,218 3,224 1,225 1,230 4,237 2,238 2,241 2,243 3,246 2,253 2,255 2,258 2,263 1,264 3,267 1,272 4,276 942,277 17.085,278 17.085,279 17.085,280 17.085,281 17.085,282 14.893,283 22.338,284 10.032,285 17.666,286 13.161,287 13.161,288 13.161,289 13.161,290 13.161,291 9.86,292 31.076,293 4.579,294 13.94,295 3.745,296 1.697,297 1.074,298 0.75,299 0.655,300 0.465,301 3.945,304 1,305 1,306 1,307 571,308 3,310 65.254,312 176.35,319 1.504,320 29.497,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 55.5,332 270,333 4.675,334 3.603,335 6.95,336 4.256,337 3.298,338 4.222,339 0.86,340 11.621,341 3.152,342 4.265,343 3.186,344 6.171,345 3.864,346 2.899,347 3.909,348 0.86,349 9.163,350 2.795,351 3.91,352 2.693,353 5.41,354 3.457,355 2.49,356 3.463,357 0.795,358 7.098,359 2.405,360 3.555,361 2.66,362 5.226,363 3.181,364 2.247,365 2.865,366 0.6,367 6.521,368 2.091,369 3.178,370 2.274,371 4.946,372 2.652,373 1.732,374 2.307,376 4.918,377 1.585,378 3.118,379 1.947,380 4.822,381 2.532,382 1.608,383 2.257,385 4.498,386 1.481,387 2.888,388 1.932,389 4.385,390 2.429,391 1.487,392 2.004,394 4.118,395 1.392,396 2.709,397 1.454,398 3.604,399 2.209,400 1.279,401 1.717,403 2.971,404 1.184,405 2.5,406 1.228,407 3.341,408 1.984,409 1,410 1.5,412 2.136,413 0.983,414 1.971,415 1.047,416 3.247,417 1.733,418 0.806,419 0.909,421 1.81,422 0.741,423 1.653,424 1,425 2.957,426 1.327,427 0.465,428 0.514,430 0.841,431 0.395,432 1.592,433 0.94,434 2.777,435 1.32,436 0.448,437 0.511,439 0.673,440 0.39,441 1.288,442 0.568,443 2.758,444 0.944,445 0.041,446 0.05,448 0.088,449 0.037,450 0.903,451 -0.011,452 2.237,453 0.547,454 -0.38,455 -0.45,457 -0.787,458 -0.349,459 0.68,460 -0.304,461 2.17,462 0.276,463 -0.639,464 -0.748,466 -1.413,467 -0.579,468 11.533,469 0.461,470 0.537,471 0.021,472 34.5,473 1.38,474 18,475 0.72,476 16.5,477 0.66,478 17.005,479 0.68,480 26.867,481 0.64,482 25.499,483 1.02,484 7.372,485 0.295,486 4.762,487 0.19,488 0.145,490 0.347,496 0.974,497 1.299,498 0.748,499 1.094,500 1.006,501 0.912,502 1.224,503 1.085,504 0.838,505 0.848,506 0.867,507 0.758,508 0.858,509 1.178,510 0.922,511 1.109,512 0.645,513 1.044,514 0.842,515 1.03,516 1.105,517 1.104,518 0.84,519 1.161,520 0.823,521 1.053,522 0.889,523 1.042,524 0.855,525 0.986,526 1.414,527 0.928,528 1.063,529 0.875,530 1.337,531 0.884,532 0.98,533 1.147,534 1.058,535 1.21,536 1.35,537 1.171,538 0.963,539 0.787,540 0.888,541 0.821,542 1.181,543 0.83,544 4.5,545 0.095,546 2.889,547 2.125,548 1.347,549 0.965,550 0.549,551 0.429,552 0.3,553 0.141,554 7143,555 22548,556 2.038,557 40.5,559 13,561 2,562 2,567 1.681,568 1.899,569 3.411,570 0.312,571 1,572 1,574 1,577 69.177,578 1.647,579 3.696,580 4.318,581 4.642,582 4.737,583 4.928,584 2.855,585 4.484,586 4.616,587 3.537,588 1060.99,589 7.986,590 13145.3,591 1,592 1,595 226.477,596 1.44,597 4.569,598 0.167,599 0.006,600 0.083,601 0.059,602 0.043,603 0.031,604 0.018,605 0.015,606 0.013,607 0.007,608 0.441,609 0.33,610 1,611 0.9,612 121.525,613 -0.125,614 -0.179,615 0.019,616 -0.053,617 -0.174,618 0.003,619 -0.209,620 -0.013,621 0.058,622 0.127,623 -0.103,624 0.156,625 0.096,626 -0.087,627 -0.053,628 -0.134,629 0.219,630 -0.135,631 0.095,632 0.005,633 -0.191,634 -0.126,635 -0.012,636 -0.217,637 -0.044,638 -0.075,639 0.066,640 -0.047,641 -0.013,642 0.027,643 -0.215,644 0.028,645 -0.049,646 0.083,647 -0.133,648 0.063,649 0.088,650 -0.155,651 -0.103,652 -0.239,653 0.022,654 -0.228,655 0.058,656 0.109,657 0.187,658 0.141,659 0.045,660 0.191,661 1.933,662 3.866,663 0.64,664 21.613,665 1.019,666 1.125,667 -0.015,669 0.671,670 3.332,671 3.638,672 3.932,673 4.094,674 4.248,675 4.263,676 4.344,677 4.407,678 4.477,679 4.489,680 6.309,681 0.657,682 339.38,683 3.332,684 4.86,685 5.714,686 6.586,687 7.46,688 8.341,689 9.223,690 10.11,691 10.997,692 11.887,693 7.1,702 2,703 1,709 7,710 1,714 4,716 12,733 2,735 42,737 15,738 1,739 27,741 44,742 18,743 11,744 3,745 3,746 4,748 3,749 3,762 15,763 3,767 3,775 2,776 4,779 1,780 1,783 17,784 7,785 2,786 7,792 3,797 1,798 4,809 1,814 1,816 2,826 2,834 2,841 2,843 3,847 2,851 25,857 2,858 1,861 2,874 9.5,876 2,879 2,881 13.167,882 8.167,883 5.722,884 2.171,886 3.642,887 1.521,888 0.919,889 5.122,890 10.632,891 3.611,892 4.205,893 4.796,894 5.281,895 5.762,896 5.958,897 6.336,898 6.709,899 7.104,900 7.406,901 1,902 36,903 9.177,905 3.841,906 7.933,907 16.995,909 13.265,911 2.433,912 60.833,916 176.567,917 111.291,918 50.357,920 107.366,923 111.291,924 283.933,925 50.357,926 21.766,927 2.106,928 47.381,929 131.208,930 90.095,932 153.024,934 176.567,935 161.647,936 107.366,939 176.567,940 107.366,943 53.772,944 91.09,945 16.786,947 176.567,948 157.723,949 111.291,952 176.567,953 24.048,954 87.242,956 157.723,957 176.567,958 157.723,959 111.291,961 0.572,962 0.353,963 0.181,964 0.094,965 17,966 8,967 0.114,968 5,970 1,971 3.747,972 197.832,974 16,975 112.096,981 17.145,982 7.468,983 3.551,985 157.723,986 11.975,987 3.911,991 2.734,993 85.367,994 445.58,995 36,1003 8.641,1004 -0.027,1007 42.8,1008 47.239,1009 0.305,1010 0.685,1011 0.801,1012 0.861,1013 0.879,1014 0.914,1015 4.836,1016 1.279,1017 5.694,1018 4.118,1019 4.317,1020 4.89,1021 1.782,1022 6.512,1023 4.211,1024 6.053,1025 1,1026 7.262,1027 2.971,1028 3.892,1029 4.635,1031 7.448,1032 3.747,1033 7.375,1034 0.806,1035 8.934,1036 2.136,1037 5.938,1038 7.094,1039 1.446,1040 10.614,1041 5.754,1042 8.74,1043 0.465,1044 10.669,1045 1.81,1046 6.399,1047 7.686,1049 12.428,1050 6.167,1051 10.139,1052 0.448,1053 12.447,1054 0.841,1055 7.886,1056 9.58,1057 1.168,1058 15.129,1059 7.627,1060 11.564,1061 0.041,1062 14.255,1063 0.673,1064 8.744,1065 10.573,1067 17.298,1068 8.432,1069 13.009,1070 -0.38,1071 16.087,1072 0.088,1073 10.024,1074 12.22,1075 0.936,1076 19.844,1077 9.682,1078 3.298,1079 -0.639,1080 17.938,1081 -0.787,1082 11.059,1083 13.415,1085 22.164,1086 10.663,1087 2.899,1088 11.621,1089 19.804,1090 -1.413,1091 12.264,1092 14.944,1093 0.741,1094 24.652,1095 11.833,1096 2.49,1097 9.163,1098 21.682,1099 4.222,1100 13.377,1101 16.245,1103 27.04,1104 12.895,1105 2.247,1106 7.098,1107 23.57,1108 3.909,1109 14.558,1110 17.718,1111 0.58,1112 29.505,1113 14.036,1114 1.732,1115 6.521,1116 25.467,1117 3.463,1118 15.706,1119 19.075,1121 31.926,1122 15.135,1123 1.608,1124 4.918,1125 27.37,1126 2.865,1127 16.882,1128 20.52,1129 0.449,1130 34.382,1131 16.268,1132 1.487,1133 4.498,1134 29.278,1135 2.307,1136 18.048,1137 21.908,1139 36.818,1140 17.386,1141 7020,1142 12593,1143 17.8,1144 28.165,1145 40.027,1146 40.935,1147 41.929,1148 39.507,1149 39.601,1150 52.456,1151 6.23,1152 112.913,1153 37.257,1154 5.534,1155 5.603,1156 6.752,1157 5.291,1158 5.298,1159 7.222,1160 1.72,1161 19.621,1162 5.152,1163 12.819,1164 1.482,1165 1.516,1166 1.553,1167 1.463,1168 1.467,1169 1.943,1170 0.231,1171 4.182,1172 1.38,1173 3.998,1174 4.023,1175 3.967,1176 3.889,1177 6.539,1178 3.903,1179 3.895,1180 3.918,1181 3.852,1182 3.796,1183 6.391,1184 3.808,1185 3.757,1186 3.784,1187 3.712,1188 3.639,1189 4.968,1190 3.653,1191 3.332,1192 3.379,1193 3.203,1194 3.091,1195 4.913,1196 3.108,1197 3.235,1198 3.304,1199 3.054,1200 2.959,1201 4.649,1202 2.968,1203 3.072,1204 3.16,1205 2.867,1206 2.83,1207 4.57,1208 2.82,1209 2.865,1210 2.925,1211 2.814,1212 2.735,1213 4.267,1214 2.715,1215 2.854,1216 2.924,1217 2.687,1218 2.637,1219 4.11,1220 2.636,1221 0.173,1222 0.133,1223 0.257,1224 0.158,1225 0.122,1226 4.675,1227 0.156,1228 3.603,1229 0.032,1230 6.95,1231 0.43,1232 4.256,1233 0.117,1234 3.298,1235 4.222,1236 0.86,1237 11.621,1238 3.152,1239 1.922,1240 1.901,1241 2.006,1242 2.049,1243 1.154,1244 2.032,1245 1.857,1246 1.832,1247 1.943,1248 1.981,1249 0.982,1250 1.972,1251 1.703,1252 1.68,1253 1.768,1254 1.85,1255 0.845,1256 1.829,1257 1.26,1258 1.207,1259 1.591,1260 1.566,1261 0.619,1262 1.57,1263 1.188,1264 1.112,1265 1.557,1266 1.491,1267 0.577,1268 1.513,1269 1.063,1270 0.973,1271 1.372,1272 1.318,1273 0.518,1274 1.34,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.804,1282 0.735,1283 1.096,1284 1.045,1285 0.16,1286 1.031,1287 4.007,1289 5.352,1291 6.923,1293 8.584,1295 10.29,1297 3.144,1302 19.701,1303 0.259,1306 10.496,1314 27.611,1315 69.177,1316 155.216,1317 181.358,1318 194.968,1319 198.968,1320 206.968,1321 45.353,1322 6.989,1323 96.53,1324 96.53,1325 16,1326 12.417,1327 4,1328 3.322,1329 41.754,1330 94,1331 94,1332 0.216,1333 171.274,1334 305.48,1335 409.668,1336 9736,1338 17.811,1339 0.712,1340 0.552,1341 17.811,1342 13.801,1343 12.135,1344 0.449,1345 0.278,1346 7.347,1347 11.495,1348 7.135,1349 5.957,1350 12.135,1351 7.511,1352 10.379,1353 0.281,1354 0.141,1355 10.379,1356 5.206,1357 9.281,1358 0.186,1359 0.074,1360 9.281,1361 3.703,1362 7.058,1363 0.12,1364 0.039,1365 7.058,1366 2.274,1367 5.444,1368 0.079,1369 0.021,1370 5.444,1371 1.423,1372 0.34,1373 77.555,1374 0.237,1375 24.417,1376 0.588,1377 128,1378 444.706,1379 143.127,1380 420.508,1381 568.3,1382 394,1383 151,1384 409.194,1385 167.376,1386 415.704,1387 604.45,1388 387,1389 5.1}
{0 CHEMBL2003817,1 1.905,2 10.167,3 1.889,4 3.57,5 78.386,6 9.803,7 0.654,8 3.689,9 3.796,10 3.454,11 3.186,12 5.037,13 3.248,14 4.182,15 4.314,16 3.902,17 3.523,18 6.065,19 3.584,20 4.327,21 4.495,22 3.835,23 3.607,24 5.75,25 3.647,26 4.371,27 4.559,28 3.773,29 3.507,30 5.865,31 3.554,32 4.295,33 4.492,34 3.701,35 3.372,36 5.877,37 3.43,38 4.113,39 4.295,40 3.57,41 3.23,42 5.646,43 3.298,44 4.027,45 4.216,46 3.464,47 3.145,48 5.599,49 3.206,50 3.922,51 4.123,52 3.286,53 3.08,54 5.344,55 3.118,56 0.254,57 0.778,58 3.155,59 2.596,60 34.531,61 2.305,62 0.883,63 1.474,64 7.185,65 4.262,66 133.029,67 3.829,68 0.63,69 1.249,70 9.813,71 4.947,72 70.892,73 4.781,74 0.862,75 1.239,76 12.926,77 5.63,78 115.143,79 5.435,80 0.851,81 1.05,82 13.092,83 4.66,84 105.126,85 4.753,86 0.62,87 0.928,88 10.484,89 4.229,90 82.414,91 4.396,92 0.688,93 0.913,94 9.798,95 3.58,96 80.778,97 3.354,98 0.597,99 0.796,100 9.252,101 3.601,102 90.138,103 3.421,104 18,105 37,106 0.346,107 0.638,108 0.791,109 0.888,110 0.898,111 0.898,112 3.228,113 0.777,114 -2.97,115 -2.97,116 -2.87,119 44.1,132 1,142 4,143 2,144 1,145 4,146 1,147 1,159 1,172 4,175 3,178 3,179 1,180 2,183 5,187 1,188 2,191 1,193 1,196 3,199 1,200 3,203 2,205 4,208 2,212 1,213 1,216 1,218 2,221 1,224 1,225 4,228 1,230 2,238 4,243 1,249 1,250 3,263 1,264 3,276 820,277 15.764,278 15.764,279 15.764,280 15.764,281 15.764,282 13.638,283 16.178,284 9.303,285 16.308,286 12.872,287 12.872,288 12.872,289 12.872,290 12.872,291 9.692,292 22.484,293 4.454,294 13.809,295 3.182,296 1.574,297 0.728,298 0.199,299 0.14,300 0.14,301 3.907,304 1,305 1,306 1,307 517,308 3.674,312 201.536,316 104.452,319 1.611,320 43.735,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 56,332 244,333 4.584,334 4.461,335 7.121,336 4.216,337 3.335,338 4.476,339 3.825,340 11.72,341 3.051,342 4.309,343 3.569,344 6.507,345 3.951,346 3.005,347 3.612,348 1.656,349 10.203,350 2.746,351 3.961,352 3.034,353 5.515,354 3.556,355 2.614,356 3.474,357 0.247,358 7.458,359 2.453,360 3.61,361 2.536,362 5.26,363 3.18,364 2.229,365 2.918,367 6.548,368 2.103,369 3.31,370 2.222,371 4.735,372 2.842,373 1.872,374 2.565,376 5.163,377 1.795,378 3.109,379 1.801,380 4.528,381 2.594,382 1.648,383 2.376,385 4.458,386 1.547,387 2.855,388 1.519,389 4.14,390 2.362,391 1.417,392 1.993,394 3.673,395 1.326,396 2.809,397 1.499,398 3.575,399 2.323,400 1.365,401 1.924,403 2.994,404 1.289,405 2.5,406 1.043,407 3.385,408 1.916,409 1,410 1.5,412 2.171,413 0.915,414 2.366,415 1,416 3.247,417 1.884,418 0.913,419 1.301,421 2.136,422 0.882,423 1.326,424 0.58,425 2.923,426 0.971,427 0.04,428 0.048,430 0.106,431 0.037,432 1.174,433 0.51,434 2.808,435 0.723,436 -0.261,437 -0.354,439 -0.62,440 -0.252,441 1,442 0.51,443 2.398,444 0.525,445 -0.446,446 -0.622,448 -1.174,449 -0.431,450 0.75,451 0.237,452 2.269,453 0.268,454 -0.727,455 -1,457 -1.993,458 -0.7,459 0.5,460 -0.266,461 2.132,462 -0.012,463 -1,464 -1,466 -2.269,467 -0.7,468 10.69,469 0.445,470 0.74,471 0.031,472 35,473 1.458,474 18.5,475 0.771,476 16.5,477 0.688,478 14.354,479 0.598,480 25.91,481 0.762,482 27.008,483 1.125,484 7.263,485 0.303,486 4.169,487 0.174,488 0.111,489 0.047,490 0.281,493 3,496 0.648,497 1.042,498 0.564,499 0.997,500 0.61,501 0.821,502 0.436,503 0.758,504 0.662,505 0.925,506 0.407,507 0.938,508 0.778,509 0.905,510 0.913,511 1.018,512 0.674,513 1.029,514 1.104,515 1.086,516 1.127,517 1.136,518 1.076,519 1.141,520 0.986,521 0.796,522 1.04,523 0.924,524 1.034,525 0.978,526 0.941,527 1.003,528 0.836,529 1.072,530 0.963,531 0.969,532 1.153,533 0.922,534 1.122,535 0.875,536 1.22,537 0.939,538 1.251,539 1.073,540 1.223,541 0.95,542 1.233,543 1.005,544 6,545 0.115,546 2.667,547 1.688,548 1.338,549 0.875,550 0.548,551 0.318,552 0.197,553 0.098,554 6326,555 27091,556 2.03,557 29.4,559 4,561 4,562 2,567 1.667,568 1.882,569 3.304,570 0.42,572 1,574 1,577 64.787,578 1.905,579 3.514,580 4.359,581 4.889,582 4.948,583 4.948,584 2.757,585 4.054,586 4.555,587 3.486,588 962.087,589 7.854,590 11325.4,591 1,592 1,594 1,595 172.974,596 1.601,597 4.498,598 0.231,599 0.012,600 0.072,601 0.047,602 0.042,603 0.03,604 0.021,605 0.014,606 0.01,607 0.005,608 0.483,609 0.5,610 1,611 0.813,612 114.441,613 -0.091,614 -0.151,615 -0.003,616 -0.053,617 -0.108,618 0.009,619 0.41,620 0.275,621 0.058,622 0.024,623 0.407,624 -0.111,625 -0.112,626 -0.116,627 -0.097,628 -0.097,629 -0.04,630 -0.084,631 -0.164,632 -0.144,633 -0.144,634 -0.157,635 -0.138,636 -0.142,637 -0.049,638 0.04,639 -0.012,640 0.009,641 -0.075,642 0.017,643 -0.081,644 -0.243,645 0.174,646 -0.117,647 -0.054,648 0.066,649 -0.121,650 0.046,651 -0.111,652 0.087,653 -0.171,654 0.028,655 -0.258,656 -0.057,657 -0.199,658 0.05,659 -0.263,660 0.015,661 5.706,662 4.961,663 0.667,664 21.375,665 1.056,666 1.158,667 1.741,668 3.032,669 0.687,670 3.296,671 3.638,672 3.829,673 4.06,674 4.29,675 4.331,676 4.454,677 4.466,678 4.533,679 4.382,680 6.061,681 0.708,682 333.3,683 3.296,684 4.844,685 5.673,686 6.555,687 7.405,688 8.29,689 9.15,690 10.035,691 10.901,692 11.788,693 14.7,700 2,703 3,708 2,709 8,710 3,714 3,716 17,735 34,737 18,738 1,739 26,741 36,742 15,743 13,744 3,745 3,748 3,749 4,753 1,754 1,759 1,762 14,763 1,767 1,772 1,776 1,779 1,780 1,781 3,783 10,784 9,785 2,786 9,792 5,797 0.667,798 1,806 1,809 1,816 3,820 1,843 2,849 3,851 24,860 2,865 1,873 3,874 2.9,877 1,881 12.75,882 6.112,883 5.139,884 1.786,886 3.264,887 1.465,888 1.007,889 4.217,890 10.276,891 3.597,892 4.22,893 4.777,894 5.379,895 5.966,896 6.219,897 6.608,898 6.922,899 7.249,900 7.143,901 0.857,902 36,903 9.26,905 4.421,906 8.51,907 15.634,909 12.408,911 3.01,912 72.25,916 94.169,917 99.117,918 86.378,920 25.145,921 44.88,923 99.117,924 119.314,925 131.258,927 36.022,928 37.905,929 122.586,930 91.729,931 6.604,932 47.084,933 7.76,934 94.169,935 185.495,936 70.025,939 94.169,940 70.025,943 82.115,944 53.024,945 50.357,947 139.049,948 111.523,949 99.117,952 101.928,953 17.263,954 74.095,955 36.022,956 120.382,957 94.169,958 156.403,959 99.117,961 0.589,962 0.322,963 0.167,964 0.094,965 18,966 8,967 0.056,968 2,969 1,970 1.125,971 3.588,972 191.047,973 0.125,974 16,975 105.284,981 16.004,982 6.324,983 3.738,984 0.516,985 156.403,986 10.18,987 11.609,991 -0.23,993 36.022,994 349.69,995 35.5,1000 11.961,1004 -0.595,1007 35.909,1008 39.381,1009 0.375,1010 0.691,1011 0.857,1012 0.961,1013 0.973,1014 0.973,1015 4.83,1016 1.365,1017 5.7,1018 3.673,1019 4.317,1020 4.905,1021 3.244,1022 6.535,1023 4.187,1024 6.067,1025 1,1026 7.283,1027 2.994,1028 4.111,1029 4.771,1030 3.949,1031 7.711,1032 3.815,1033 7.392,1034 0.913,1035 8.981,1036 2.171,1037 5.989,1038 7.141,1039 5.464,1040 10.704,1041 5.706,1042 8.753,1043 0.04,1044 10.751,1045 2.136,1046 6.567,1047 7.786,1048 6.701,1049 12.681,1050 6.108,1051 10.144,1052 -0.261,1053 12.567,1054 0.106,1055 7.993,1056 9.679,1057 8.065,1058 15.28,1059 7.525,1060 11.557,1061 -0.446,1062 14.416,1063 -0.62,1064 8.912,1065 10.725,1066 9.391,1067 17.547,1068 8.289,1069 12.988,1070 -0.727,1071 16.288,1072 -1.174,1073 10.173,1074 12.399,1075 10.736,1076 20.032,1077 9.509,1078 3.335,1079 -1,1080 18.177,1081 -1.993,1082 11.241,1083 13.661,1084 12.075,1085 22.405,1086 10.447,1087 3.005,1088 11.72,1089 20.079,1090 -2.269,1091 12.444,1092 15.231,1093 13.417,1094 24.857,1095 11.585,1096 2.614,1097 10.203,1098 21.991,1099 4.476,1100 13.575,1101 16.607,1102 14.758,1103 27.272,1104 12.605,1105 2.229,1106 7.458,1107 23.911,1108 3.612,1109 14.761,1110 18.131,1111 16.1,1112 29.717,1113 13.713,1114 1.872,1115 6.548,1116 25.837,1117 3.474,1118 15.922,1119 19.566,1120 17.441,1121 32.15,1122 14.773,1123 1.648,1124 5.163,1125 27.768,1126 2.918,1127 17.105,1128 21.071,1129 18.783,1130 34.595,1131 15.872,1132 1.417,1133 4.458,1134 29.703,1135 2.565,1136 18.28,1137 22.536,1138 20.124,1139 37.038,1140 16.952,1141 6195,1142 12975,1143 16.989,1144 23.341,1145 39.516,1146 39.357,1147 39.253,1148 39.03,1149 38.875,1150 52.373,1151 11.457,1152 113.257,1153 36.289,1154 5.451,1155 6.461,1156 6.923,1157 5.285,1158 5.335,1159 7.476,1160 5.335,1161 18.84,1162 5.051,1163 12.309,1164 1.52,1165 1.514,1166 1.51,1167 1.501,1168 1.495,1169 2.014,1170 0.441,1171 4.356,1172 1.396,1173 4.085,1174 4.113,1175 4.056,1176 4.007,1177 8.513,1178 4.014,1179 3.835,1180 3.894,1181 3.791,1182 3.638,1183 7.999,1184 3.669,1185 3.605,1186 3.645,1187 3.589,1188 3.44,1189 7.999,1190 3.459,1191 3.38,1192 3.429,1193 3.346,1194 3.078,1195 7.431,1196 3.135,1197 3.164,1198 3.218,1199 3.116,1200 2.918,1201 5.012,1202 2.95,1203 2.954,1204 3.02,1205 2.875,1206 2.758,1207 4.97,1208 2.783,1209 2.803,1210 2.865,1211 2.676,1212 2.65,1213 4.328,1214 2.65,1215 2.629,1216 2.732,1217 2.527,1218 2.369,1219 4.146,1220 2.398,1221 0.176,1222 0.172,1223 0.274,1224 0.162,1225 0.128,1226 4.584,1227 0.172,1228 4.461,1229 0.147,1230 7.121,1231 0.451,1232 4.216,1233 0.117,1234 3.335,1235 4.476,1236 3.825,1237 11.72,1238 3.051,1239 2.038,1240 2.016,1241 2.101,1242 2.133,1243 1.233,1244 2.123,1245 1.738,1246 1.683,1247 1.837,1248 1.956,1249 0.758,1250 1.925,1251 1.518,1252 1.483,1253 1.636,1254 1.715,1255 0.7,1256 1.679,1257 1.219,1258 1.169,1259 1.364,1260 1.537,1261 0.299,1262 1.484,1263 1.021,1264 0.975,1265 1.196,1266 1.307,1267 0.245,1268 1.249,1269 0.866,1270 0.816,1271 1.065,1272 1.125,1273 0.085,1274 1.11,1275 0.789,1276 0.734,1277 0.976,1278 0.996,1279 0.034,1280 1.017,1281 0.541,1282 0.457,1283 0.817,1284 0.872,1286 0.869,1287 3.97,1289 5.303,1291 6.828,1293 8.438,1295 10.092,1299 38.245,1305 5.019,1310 -4.456,1314 24.079,1315 64.787,1316 119.464,1317 148.219,1318 166.219,1319 168.219,1320 168.219,1321 50.814,1322 7.012,1323 79.8,1324 79.8,1325 18,1326 12.323,1327 4.248,1328 3.392,1329 39.349,1330 86,1331 86,1332 0.224,1333 147.691,1334 256.52,1335 352.126,1336 10017,1337 8.8,1338 17.156,1339 0.715,1340 0.5,1341 14.656,1342 12.003,1343 11.432,1344 0.44,1345 0.259,1346 6.56,1347 10.727,1348 6.52,1349 5.361,1350 10.22,1351 6.733,1352 11.072,1353 0.299,1354 0.129,1355 9.114,1356 4.758,1357 8.187,1358 0.182,1359 0.069,1360 7.224,1361 3.123,1362 6.78,1363 0.119,1364 0.036,1365 6.229,1366 2.067,1367 5.495,1368 0.076,1369 0.019,1370 5.034,1371 1.35,1372 0.351,1373 73.642,1374 0.243,1375 23.5,1376 0.614,1377 126,1378 615.67,1379 154.39,1380 513.307,1381 664.21,1382 474,1383 145,1384 462.186,1385 166.047,1386 447.451,1387 668.36,1388 419,1389 5.1}
{0 CHEMBL2004072,1 1.779,2 7.75,3 3.412,4 11.641,5 75.943,6 9.578,7 0.727,8 3.536,9 3.602,10 3.371,11 3.22,12 4.81,13 3.191,14 4.005,15 4.104,16 3.765,17 3.6,18 5.327,19 3.551,20 4.122,21 4.232,22 3.826,23 3.643,24 5.437,25 3.594,26 4.158,27 4.296,28 3.682,29 3.579,30 5.452,31 3.524,32 4.077,33 4.229,34 3.561,35 3.513,36 5.313,37 3.431,38 4.068,39 4.229,40 3.514,41 3.353,42 5.476,43 3.293,44 3.775,45 3.935,46 3.243,47 3.008,48 5.16,49 2.966,50 3.59,51 3.795,52 2.563,53 2.58,54 4.862,55 2.533,56 0.074,57 0.433,58 3.411,59 2.707,60 5.789,61 2.664,62 0.298,63 0.708,64 8.239,65 4.666,66 24.637,67 4.335,68 0.243,69 0.865,70 12.529,71 5.861,72 25.91,73 5.362,74 0.317,75 0.825,76 10.484,77 5.571,78 45.519,79 5.335,80 0.235,81 0.819,82 14.147,83 5.919,84 24.789,85 5.705,86 0.395,87 0.827,88 12.879,89 5.5,90 42.724,91 5.391,92 0.247,93 0.644,94 10.189,95 4.307,96 25.818,97 3.84,98 0.277,99 0.451,100 9.06,101 3.316,102 34.88,103 3.025,104 12,105 31,106 0.332,107 0.667,108 0.802,109 0.886,110 0.886,111 0.886,112 3.059,113 0.917,114 -4.09,115 -4.04,116 -3.82,119 50,124 1,142 5,143 3,144 1,145 2,152 2,158 1,172 7,174 1,175 1,183 10,188 7,196 7,200 5,208 5,213 3,221 4,224 2,225 3,233 2,238 4,246 1,250 2,264 2,276 458,277 13.593,278 13.593,279 13.593,280 13.593,281 13.593,282 11.659,283 4.892,284 7.935,285 14.035,286 10.797,287 10.797,288 10.797,289 10.797,290 10.797,291 7.783,292 2.761,293 3.684,294 11.424,295 3.127,296 1.334,297 0.612,298 0.158,299 0.158,300 0.158,301 3.737,304 1,305 1,306 1,307 329,308 2.646,311 37.543,312 103.617,315 72.301,319 1.25,320 24.633,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 44,332 155,333 4.631,334 3.66,335 6.732,336 4.161,337 3.194,338 4.575,339 1.674,340 11.014,341 3.097,342 4.135,343 3.153,344 6.067,345 3.719,346 2.763,347 3.737,349 8.767,350 2.616,351 3.854,352 2.885,353 5.674,354 3.416,355 2.453,356 3.29,358 7.442,359 2.343,360 3.488,361 2.399,362 5.047,363 3.036,364 2.098,365 2.843,367 5.96,368 1.945,369 3.017,370 1.761,371 4.509,372 2.472,373 1.529,374 2.244,376 4.284,377 1.433,378 2.93,379 1.562,380 4.118,381 2.407,382 1.466,383 2.117,385 3.616,386 1.362,387 2.629,388 1.461,389 3.902,390 2.125,391 1.168,392 1.687,394 2.888,395 1.116,396 2.604,397 1.326,398 3.478,399 2.063,400 1.135,401 1.595,403 2.553,404 1.025,405 1.957,406 1.155,407 3.252,408 1.375,409 0.472,410 0.697,412 1.293,413 0.418,414 1.469,415 0.475,416 2.557,417 1.091,418 0.171,419 0.205,421 0.227,422 0.152,423 1.036,424 0.19,425 2.483,426 0.57,427 -0.37,428 -0.486,430 -0.842,431 -0.332,432 0.888,433 -0.178,434 2.26,435 0.435,436 -0.473,437 -0.624,439 -1.198,440 -0.426,441 0.575,442 -0.428,443 2,444 0.075,445 -0.911,446 -1.327,448 -2.444,449 -0.882,450 0.5,451 -0.896,452 1.825,453 -0.062,454 -1,455 -1.5,457 -2.819,458 -0.921,459 0.238,460 -1,461 1.672,462 -0.194,463 -1.206,464 -1.632,466 -2.904,467 -1.188,468 9.686,469 0.484,470 0.486,471 0.024,472 28,473 1.4,474 15.5,475 0.775,476 12.5,477 0.625,478 13.002,479 0.65,480 20.314,481 0.677,482 18.732,483 0.937,484 5.68,485 0.284,486 4.006,487 0.2,488 0.116,490 0.361,494 1,496 0.607,497 0.85,498 0.632,499 0.821,500 0.526,501 0.778,502 0.782,503 0.722,504 0.788,505 0.671,506 0.588,507 0.675,508 0.834,509 1.129,510 1.072,511 1.27,512 0.923,513 1.052,514 1.057,515 0.953,516 0.874,517 0.861,518 1.16,519 0.972,520 0.815,521 1.063,522 1.337,523 1.256,524 0.752,525 1.105,526 0.997,527 1.014,528 1.112,529 1.095,530 1.031,531 1.084,532 1.317,533 1.403,534 1.093,535 1.277,536 1.341,537 1.175,538 1.592,539 0.922,540 1.196,541 0.969,542 1.486,543 1.13,544 4,545 0.012,546 2.444,547 1.382,548 1.081,549 0.66,550 0.431,551 0.219,552 0.103,553 0.061,554 3451,555 12681,556 2.077,557 33.3,559 8,561 2,567 1.622,568 1.935,569 2.984,570 -0.738,572 1,574 1,577 53.384,578 1.779,579 3.573,580 4.295,581 4.748,582 4.748,583 4.748,584 2.433,585 3.922,586 4.292,587 3.074,588 584.082,589 7.356,590 5804,591 1,592 1,593 1,594 1,595 147.207,596 1.441,597 4.248,598 0.182,599 0.006,600 0.079,601 0.045,602 0.039,603 0.026,604 0.02,605 0.015,606 0.013,607 0.01,608 0.434,609 0.83,610 1,611 1.059,612 86.952,613 -0.026,614 -0.037,615 0.046,616 0.017,617 -0.044,618 0.016,619 0.004,620 0.145,621 0.08,622 0.267,623 0.036,624 0.188,625 -0.027,626 -0.131,627 -0.055,628 -0.241,629 -0.06,630 -0.142,631 -0.158,632 -0.075,633 -0.038,634 0.029,635 -0.173,636 -0.054,637 -0.08,638 -0.11,639 -0.226,640 -0.195,641 -0.035,642 -0.121,643 0.078,644 0.005,645 -0.075,646 -0.1,647 0.038,648 -0.112,649 -0.115,650 -0.297,651 -0.02,652 -0.255,653 -0.099,654 -0.187,655 -0.304,656 -0.01,657 -0.219,658 -0.052,659 -0.237,660 -0.095,661 2.045,662 5.349,663 0.75,664 13.48,665 1.025,666 1.108,667 2.858,668 8.169,669 0.744,670 3.135,671 3.466,672 3.761,673 4.043,674 4.277,675 4.382,676 4.477,677 4.533,678 4.489,679 4.419,680 4.714,681 0.722,682 287.33,683 3.135,684 4.673,685 5.533,686 6.422,687 7.306,688 8.203,689 9.097,690 9.998,691 10.896,692 11.799,693 3.3,703 1,708 2,709 7,710 1,713 1,714 4,716 16,726 1,734 1,735 30,737 17,738 1,739 22,741 32,742 15,743 13,744 2,745 4,746 1,748 3,749 4,762 14,763 1,767 1,772 1,776 1,779 1,780 1,781 1,783 10,784 4,786 5,787 1,792 1,797 0.667,798 2,809 1,815 1,816 2,819 1,843 2,845 1,847 1,849 1,851 20,861 1,869 1,873 1,874 6.7,877 1,879 1,881 10.333,882 5.926,883 4.444,884 1.641,886 3.269,887 1.482,888 1.011,889 3.39,890 10.044,891 3.466,892 4.123,893 4.786,894 5.441,895 6.03,896 6.427,897 6.866,898 7.293,899 7.53,900 7.81,901 1,902 31,903 7.374,905 3.178,906 8.05,907 13.661,909 11.101,911 2.55,912 51,916 117.711,917 134.997,918 16.786,920 36.145,921 14.96,922 31.278,923 103.72,924 153.856,925 31.746,926 10.883,928 47.381,929 72.664,930 47.16,931 17.064,932 125.447,934 117.711,935 120.505,936 51.105,937 31.278,939 132.671,940 36.145,943 18.095,944 85.625,945 16.786,946 31.278,947 132.671,948 52.93,949 134.997,952 117.711,953 58.638,954 76.359,956 67.89,957 117.711,958 67.89,959 134.997,961 0.58,962 0.347,963 0.187,964 0.105,965 16,966 7,967 0.094,968 3,969 1,970 1.133,971 3.181,972 154.591,973 0.133,974 15,975 86.439,977 1,981 13.042,982 5.198,983 2.413,984 1.739,985 67.89,986 11.427,987 4.153,990 1.312,991 1.738,994 320.599,995 31,1000 11.593,1004 -0.378,1007 30.764,1008 33.253,1009 0.363,1010 0.728,1011 0.875,1012 0.968,1013 0.968,1014 0.968,1015 4.682,1016 1.135,1017 5.525,1018 2.888,1019 4.143,1020 4.808,1021 1.888,1022 6.358,1023 4.04,1024 5.916,1025 0.472,1026 7.098,1027 2.553,1028 3.761,1029 4.677,1031 7.298,1032 3.621,1033 7.24,1034 0.171,1035 8.77,1036 1.293,1037 5.753,1038 7.105,1039 2.817,1040 10.417,1041 5.575,1042 8.604,1043 -0.37,1044 10.502,1045 0.227,1046 6.196,1047 7.825,1049 12.197,1050 5.98,1051 10.001,1052 -0.473,1053 12.271,1054 -0.842,1055 7.662,1056 9.713,1057 3.808,1058 14.834,1059 7.422,1060 11.421,1061 -0.911,1062 14.067,1063 -1.198,1064 8.483,1065 10.841,1067 16.961,1068 8.204,1069 12.86,1070 -1,1071 15.882,1072 -2.444,1073 9.743,1074 12.506,1075 4.825,1076 19.435,1077 9.443,1078 3.194,1079 -1.206,1080 17.712,1081 -2.819,1082 10.738,1083 13.835,1085 21.711,1086 10.402,1087 2.763,1088 11.014,1089 19.553,1090 -2.904,1091 11.92,1092 15.407,1093 5.851,1094 24.129,1095 11.561,1096 2.453,1097 8.767,1098 21.403,1099 4.575,1100 12.996,1101 16.834,1103 26.47,1104 12.604,1105 2.098,1106 7.442,1107 23.261,1108 3.737,1109 14.15,1110 18.368,1111 6.88,1112 28.87,1113 13.734,1114 1.529,1115 5.96,1116 25.125,1117 3.29,1118 15.264,1119 19.842,1121 31.24,1122 14.818,1123 1.466,1124 4.284,1125 26.995,1126 2.843,1127 16.412,1128 21.363,1129 7.91,1130 33.636,1131 15.939,1132 1.168,1133 3.616,1134 28.869,1135 2.244,1136 17.545,1137 22.859,1139 36.02,1140 17.043,1141 3437,1142 6677,1143 14.622,1144 22.307,1145 33.243,1146 34.554,1147 34.83,1148 32.908,1149 32.899,1150 45.978,1151 3.349,1152 96.089,1153 31.011,1154 5.344,1155 5.66,1156 6.286,1157 5.277,1158 5.194,1159 7.575,1160 3.349,1161 18.241,1162 5.097,1163 9.462,1164 1.511,1165 1.571,1166 1.583,1167 1.496,1168 1.495,1169 2.09,1170 0.152,1171 4.368,1172 1.41,1173 4.105,1174 4.113,1175 4.339,1176 4.11,1177 8.201,1178 4.069,1179 3.838,1180 3.857,1181 3.854,1182 3.794,1183 7.433,1184 3.775,1185 3.495,1186 3.507,1187 3.475,1188 3.296,1189 4.96,1190 3.312,1191 3.188,1192 3.251,1193 3.224,1194 2.983,1195 4.59,1196 2.974,1197 2.971,1198 3.011,1199 2.926,1200 2.859,1201 4.507,1202 2.857,1203 2.892,1204 2.952,1205 2.799,1206 2.733,1207 4.237,1208 2.734,1209 2.806,1210 2.833,1211 2.662,1212 2.536,1213 3.753,1214 2.559,1215 2.579,1216 2.645,1217 2.561,1218 2.489,1219 3.455,1220 2.452,1221 0.21,1222 0.166,1223 0.306,1224 0.189,1225 0.145,1226 4.631,1227 0.208,1228 3.66,1229 0.076,1230 6.732,1231 0.501,1232 4.161,1233 0.141,1234 3.194,1235 4.575,1236 1.674,1237 11.014,1238 3.097,1239 1.979,1240 1.961,1241 2.047,1242 2.049,1243 1.189,1244 2.051,1245 1.727,1246 1.704,1247 1.813,1248 1.827,1249 0.915,1250 1.829,1251 1.522,1252 1.539,1253 1.619,1254 1.704,1255 0.697,1256 1.683,1257 1.168,1258 1.101,1259 1.407,1260 1.393,1261 0.558,1262 1.438,1263 0.95,1264 0.914,1265 1.148,1266 1.07,1267 0.262,1268 1.099,1269 0.858,1270 0.804,1271 1.08,1272 1.065,1273 0.135,1274 1.07,1275 0.783,1276 0.731,1277 0.937,1278 1.009,1279 0.009,1280 1,1281 0.582,1282 0.547,1283 0.824,1284 0.817,1286 0.84,1287 3.807,1289 5.13,1290 2.398,1291 6.655,1292 4.727,1293 8.272,1294 6.862,1295 9.937,1297 1.346,1299 13.349,1306 4.722,1314 21.655,1315 53.384,1316 107.191,1317 128.842,1318 142.452,1319 142.452,1320 142.452,1321 32.654,1322 6.775,1323 39.19,1324 67.43,1325 17,1326 12.32,1327 4.17,1328 3.322,1329 29.793,1330 56,1331 58,1332 0.273,1333 136.172,1334 230.32,1335 324.02,1336 6745,1337 3.3,1338 14.113,1339 0.706,1340 0.57,1341 13.596,1342 11.408,1343 9.686,1344 0.44,1345 0.306,1346 5.88,1347 8.829,1348 5.656,1349 4.686,1350 9.7,1351 6.723,1352 8.668,1353 0.28,1354 0.171,1355 8.676,1356 5.295,1357 7.479,1358 0.178,1359 0.096,1360 7.993,1361 4.018,1362 6.141,1363 0.11,1364 0.054,1365 6.726,1366 3.021,1367 4.962,1368 0.07,1369 0.028,1370 5.52,1371 1.999,1372 0.409,1373 65.256,1374 0.262,1375 19.49,1376 0.804,1377 106,1378 406.088,1379 142.044,1380 383.988,1381 510.42,1382 358,1383 126,1384 344.371,1385 159.998,1386 361.893,1387 529.81,1388 338,1389 5.1}
{0 CHEMBL2004290,1 1.658,2 16.711,3 3.74,4 13.988,5 151.3,6 8.01,7 0.643,8 4.3,9 4.415,10 3.954,11 3.864,12 5.466,13 3.838,14 4.793,15 4.946,16 4.34,17 4.262,18 5.949,19 4.221,20 5.025,21 5.189,22 4.368,23 4.398,24 6.153,25 4.324,26 5.154,27 5.386,28 4.445,29 4.434,30 6.212,31 4.333,32 5.082,33 5.289,34 4.343,35 4.373,36 6.207,37 4.272,38 4.962,39 5.175,40 4.149,41 4.244,42 6.015,43 4.147,44 4.861,45 5.072,46 4.126,47 4.186,48 5.95,49 4.096,50 4.902,51 5.102,52 4.182,53 4.22,54 5.994,55 4.112,56 0.111,57 1.008,58 12.923,59 5.876,60 17.546,61 7.073,62 0.344,63 1.578,64 24.746,65 10.059,66 36.785,67 12.318,68 0.48,69 1.907,70 31.333,71 12.177,72 60.641,73 14.688,74 0.456,75 2.145,76 42.751,77 14.786,78 55.602,79 19.554,80 0.551,81 2.034,82 42.282,83 13.858,84 66.58,85 17.068,86 0.348,87 1.749,88 33.018,89 12.108,90 52.014,91 15.624,92 0.468,93 1.626,94 29.866,95 10.703,96 48.366,97 14.154,98 0.324,99 1.654,100 30.912,101 12.125,102 40.916,103 15.388,104 42,105 61,106 0.259,107 0.639,108 0.778,109 0.821,110 0.835,111 0.84,112 3.668,113 0.915,114 -4.01,115 -3.97,116 -3.76,119 42.4,120 2,124 1,125 1,130 1,142 8,143 5,144 3,145 2,147 1,151 2,152 1,159 1,163 1,164 1,165 1,166 1,172 9,175 6,177 1,178 3,179 1,180 7,183 14,185 1,188 8,191 1,193 5,196 12,198 1,200 8,203 1,205 8,208 6,210 3,212 2,213 10,216 1,218 9,221 7,223 3,225 5,230 5,233 10,235 2,237 1,238 3,240 2,241 3,243 2,246 10,250 7,253 2,254 1,255 4,257 1,258 10,264 7,269 3,272 6,276 3110,277 25.298,278 25.298,279 25.298,280 25.298,281 25.298,282 22.033,283 25.408,284 14.569,285 25.947,286 20.701,287 20.701,288 20.701,289 20.701,290 20.701,291 15.693,292 31.066,293 6.888,294 21.679,295 4.386,296 1.956,297 1.065,298 0.792,299 0.701,300 0.671,301 4.368,306 1,307 1378,308 4.301,311 195.132,312 380.368,315 172.477,319 2.711,320 34.159,323 0.75,324 0.67,325 0.83,326 0.5,328 0.67,329 0.5,330 0.56,331 82,332 635,333 4.748,334 3.562,335 7.013,336 4.284,337 3.317,338 4.726,339 1.656,340 11.98,341 3.208,342 4.287,343 3.382,344 6.464,345 4.095,346 3.143,347 3.895,348 0.86,349 10.22,350 2.985,351 4.133,352 3.322,353 6.342,354 3.84,355 2.854,356 3.662,357 0.247,358 9.634,359 2.811,360 4.067,361 2.872,362 5.777,363 3.689,364 2.724,365 3.63,367 7.887,368 2.623,369 3.977,370 2.859,371 5.591,372 3.564,373 2.596,374 3.232,376 7.636,377 2.513,378 3.753,379 2.627,380 5.405,381 3.376,382 2.415,383 3.049,385 7.111,386 2.313,387 3.577,388 2.41,389 5.314,390 3.177,391 2.225,392 2.903,394 6.629,395 2.112,396 3.501,397 2.347,398 5.156,399 3.085,400 2.143,401 2.845,403 6.388,404 2.018,405 3.306,406 2.242,407 4.909,408 2.838,409 1.889,410 2.584,412 5.307,413 1.793,414 3.178,415 1.885,416 4.633,417 2.703,418 1.753,419 2.382,421 4.914,422 1.627,423 2.803,424 1.431,425 4.433,426 2.34,427 1.37,428 1.923,430 4.052,431 1.324,432 2.554,433 1.161,434 4.01,435 2.014,436 1.069,437 1.579,439 2.921,440 1.001,441 2.5,442 1.096,443 3.6,444 2,445 1,446 1.5,448 2.275,449 1,450 2.5,451 1,452 3.414,453 2,454 1,455 1.5,457 2.275,458 1,459 2.265,460 1,461 3.414,462 1.681,463 0.813,464 1.162,466 2.086,467 0.693,468 18.233,469 0.48,470 1.147,471 0.03,472 52,473 1.368,474 27.5,475 0.724,476 24.5,477 0.645,478 33.548,479 0.883,480 39.967,481 0.606,482 43.217,483 1.137,484 10.126,485 0.266,486 8.071,487 0.212,488 0.141,489 0.027,490 0.324,496 0.901,497 1.113,498 0.76,499 0.896,500 0.874,501 0.851,502 0.861,503 0.974,504 0.805,505 0.864,506 0.611,507 0.806,508 1.347,509 1.11,510 1.079,511 0.986,512 1.382,513 1.083,514 0.747,515 1.04,516 0.844,517 0.924,518 0.613,519 0.856,520 1.026,521 1.07,522 1.304,523 1.184,524 1.198,525 1.041,526 0.963,527 1.157,528 1.004,529 1.045,530 1.097,531 1.044,532 0.635,533 0.944,534 0.962,535 0.98,536 0.671,537 0.977,538 0.7,539 1.153,540 0.974,541 1.184,542 0.762,543 1.14,544 9.5,545 0.199,546 4,547 2.75,548 2.259,549 1.581,550 0.941,551 0.657,552 0.459,553 0.519,554 25478,555 70526,556 2.075,557 42.4,559 13,560 2,561 2,562 5,564 6,567 1.783,568 1.924,569 3.959,570 2.214,577 109.453,578 1.658,579 4.089,580 4.98,581 5.253,582 5.343,583 5.374,584 3.514,585 4.827,586 5.211,587 4.175,588 2934.72,589 9.159,590 50960.5,595 398.93,596 1.584,597 5.165,598 0.226,599 0.006,600 0.066,601 0.047,602 0.037,603 0.029,604 0.02,605 0.014,606 0.01,607 0.013,608 0.466,609 0.17,610 0.75,611 0.92,612 214.88,613 -0.073,614 0.034,615 0.043,616 0.071,617 -0.161,618 0.058,619 0.067,620 0.115,621 0.105,622 0.133,623 0.122,624 0.136,625 -0.237,626 -0.057,627 -0.183,628 -0.027,629 -0.256,630 -0.157,631 0.045,632 -0.037,633 0.208,634 0.106,635 0.128,636 0.155,637 -0.067,638 -0.007,639 -0.123,640 -0.081,641 -0.075,642 -0.057,643 -0.102,644 -0.16,645 -0.056,646 -0.066,647 -0.101,648 -0.058,649 0.133,650 0.096,651 -0.011,652 0.002,653 0.056,654 0.002,655 0.097,656 -0.155,657 0.016,658 -0.151,659 0.059,660 -0.136,661 2.12,662 5.423,663 0.684,664 56.817,665 1.006,666 1.123,667 2.785,668 7.755,669 0.688,670 3.761,671 4.127,672 4.369,673 4.682,674 4.89,675 5.037,676 5.22,677 5.375,678 5.497,679 5.628,680 9.385,681 0.655,682 528.69,683 3.761,684 5.333,685 6.184,686 7.086,687 7.956,688 8.862,689 9.743,690 10.652,691 11.542,692 12.453,693 9.1,697 1,700 2,701 1,703 2,708 2,709 12,710 2,713 1,714 8,715 1,716 27,727 1,733 1,735 66,737 28,738 2,739 42,741 70,742 28,743 22,744 4,745 8,748 5,749 6,753 1,754 2,762 23,763 5,764 1,767 1,772 1,776 1,783 28,784 8,785 5,786 10,787 1,792 6,797 0.8,798 3,801 1,807 1,809 1,815 2,816 3,819 1,841 1,843 4,845 1,847 3,851 38,852 1,857 1,858 1,860 2,861 1,865 1,869 1,874 4.5,875 1,877 1,879 1,881 19.75,882 12.633,883 8.125,884 3.565,886 5.147,887 1.586,888 0.98,889 7.388,890 13.934,891 4.052,892 4.705,893 5.308,894 5.972,895 6.506,896 6.914,897 7.416,898 7.907,899 8.298,900 8.714,901 1,902 59,903 14.006,905 6.004,906 7.774,907 26.524,909 21.808,911 2.274,912 86.417,916 270.735,917 205.94,918 104.144,920 78.828,922 31.278,923 174.662,924 349.564,925 104.144,926 28.533,927 38.127,928 168.087,929 82.136,930 56.943,931 30.892,932 254.929,934 270.735,935 278.806,936 78.828,937 31.278,939 200.109,940 106.771,941 42.683,943 75.649,944 169.708,945 33.449,946 31.278,947 270.735,948 182.972,949 205.94,952 270.735,953 66.805,954 140.911,955 36.022,956 145.174,957 270.735,958 182.972,959 205.94,961 0.592,962 0.328,963 0.181,964 0.097,965 30,966 14,967 0.1,968 7,969 1,970 1.077,971 4.84,972 370.935,973 0.077,974 26,975 189.421,977 1,981 26.164,982 10.73,983 6.013,984 1.886,985 181.195,986 22.188,987 8.855,990 1.59,991 6.25,992 1.725,993 111.602,994 659.647,995 56.5,1000 12.423,1004 -0.341,1007 66.389,1008 74.105,1009 0.274,1010 0.676,1011 0.824,1012 0.869,1013 0.884,1014 0.889,1015 5.307,1016 2.143,1017 6.209,1018 6.629,1019 4.812,1020 5.394,1021 1.985,1022 7.054,1023 4.727,1024 6.55,1025 1.889,1026 7.789,1027 6.388,1028 4.575,1029 5.293,1030 1.195,1031 8.129,1032 4.463,1033 7.881,1034 1.753,1035 9.47,1036 5.307,1037 6.479,1038 7.65,1039 2.508,1040 11.159,1041 6.322,1042 9.246,1043 1.37,1044 11.209,1045 4.914,1046 7.013,1047 8.358,1048 2.324,1049 13.032,1050 6.824,1051 10.639,1052 1.069,1053 12.987,1054 4.052,1055 8.432,1056 10.21,1057 3.275,1058 15.646,1059 8.208,1060 12.053,1061 1,1062 14.791,1063 2.921,1064 9.304,1065 11.32,1066 3.407,1067 17.85,1068 9.042,1069 13.485,1070 1,1071 16.616,1072 2.275,1073 10.549,1074 12.97,1075 4.165,1076 20.343,1077 10.254,1078 3.317,1079 0.813,1080 18.457,1081 2.275,1082 11.576,1083 14.293,1084 4.464,1085 22.689,1086 11.242,1087 3.143,1088 11.98,1089 20.311,1090 2.086,1091 12.759,1092 15.863,1093 5.114,1094 25.15,1095 12.392,1096 2.854,1097 10.22,1098 22.176,1099 4.726,1100 13.859,1101 17.297,1102 5.504,1103 27.56,1104 13.453,1105 2.724,1106 9.634,1107 24.052,1108 3.895,1109 15.025,1110 18.841,1111 6.092,1112 30.017,1113 14.584,1114 2.596,1115 7.887,1116 25.935,1117 3.662,1118 16.161,1119 20.331,1120 6.531,1121 32.457,1122 15.681,1123 2.415,1124 7.636,1125 27.825,1126 3.63,1127 17.325,1128 21.87,1129 7.084,1130 34.917,1131 16.81,1132 2.225,1133 7.111,1134 29.722,1135 3.232,1136 18.48,1137 23.388,1138 7.551,1139 37.373,1140 17.927,1141 24085,1142 40245,1143 27.739,1144 45.421,1145 64.344,1146 64.778,1147 65.111,1148 63.164,1149 63.276,1150 84.576,1151 5.526,1152 188.252,1153 60.373,1154 5.615,1155 5.562,1156 6.566,1157 5.397,1158 5.317,1159 7.726,1160 2.912,1161 19.549,1162 5.208,1163 21.534,1164 1.532,1165 1.542,1166 1.55,1167 1.504,1168 1.507,1169 2.014,1170 0.132,1171 4.482,1172 1.437,1173 4.143,1174 4.161,1175 4.346,1176 4.137,1177 7.431,1178 4.1,1179 3.934,1180 3.978,1181 3.887,1182 3.835,1183 6.449,1184 3.838,1185 3.913,1186 3.946,1187 3.882,1188 3.806,1189 5.191,1190 3.811,1191 3.814,1192 3.85,1193 3.795,1194 3.698,1195 4.932,1196 3.7,1197 3.602,1198 3.653,1199 3.509,1200 3.463,1201 4.873,1202 3.457,1203 3.442,1204 3.484,1205 3.413,1206 3.184,1207 4.767,1208 3.22,1209 3.278,1210 3.331,1211 3.386,1212 3.112,1213 4.563,1214 3.111,1215 3.199,1216 3.261,1217 3.065,1218 2.941,1219 4.409,1220 2.942,1221 0.113,1222 0.085,1223 0.167,1224 0.102,1225 0.079,1226 4.748,1227 0.113,1228 3.562,1229 0.039,1230 7.013,1231 0.285,1232 4.284,1233 0.076,1234 3.317,1235 4.726,1236 1.656,1237 11.98,1238 3.208,1239 1.966,1240 1.947,1241 2.037,1242 2.047,1243 1.195,1244 2.044,1245 1.883,1246 1.858,1247 1.986,1248 1.997,1249 1.164,1250 1.993,1251 1.845,1252 1.826,1253 1.946,1254 1.951,1255 1.065,1256 1.951,1257 1.72,1258 1.666,1259 1.884,1260 1.918,1261 1.05,1262 1.918,1263 1.463,1264 1.44,1265 1.578,1266 1.631,1267 0.706,1268 1.61,1269 1.31,1270 1.274,1271 1.562,1272 1.587,1273 0.608,1274 1.57,1275 1.252,1276 1.203,1277 1.47,1278 1.534,1279 0.576,1280 1.531,1281 1.221,1282 1.144,1283 1.417,1284 1.467,1285 0.469,1286 1.466,1287 4.443,1289 5.796,1290 3.045,1291 7.322,1292 5.352,1293 8.929,1294 7.434,1295 10.583,1297 5.089,1301 6.33,1302 10.122,1303 0.382,1305 5.648,1306 5.14,1310 -0.87,1314 43.255,1315 109.453,1316 269.857,1317 328.665,1318 346.665,1319 352.665,1320 354.665,1321 70.183,1322 8.787,1323 127.32,1324 155.56,1325 28,1326 12.972,1327 4.858,1328 3.954,1329 59.499,1330 211,1331 252,1332 0.135,1333 268.218,1334 453.22,1335 646.213,1336 98710,1338 26.863,1339 0.707,1340 0.58,1341 27.217,1342 22.043,1343 18.197,1344 0.433,1345 0.305,1346 11.84,1347 17.052,1348 11.365,1349 9.488,1350 18.651,1351 12.814,1352 17.557,1353 0.288,1354 0.171,1355 18.082,1356 10.414,1357 13.585,1358 0.174,1359 0.089,1360 14.289,1361 6.933,1362 11.944,1363 0.112,1364 0.049,1365 12.912,1366 5.292,1367 9.307,1368 0.071,1369 0.026,1370 10.174,1371 3.462,1372 0.219,1373 118.541,1374 0.19,1375 35.115,1376 0.35,1377 206,1378 587.394,1379 247.023,1380 595.605,1381 818.54,1382 556,1383 242,1384 597.891,1385 281.184,1386 625.592,1387 907.45,1388 584,1389 7}
{0 CHEMBL2004311,1 1.454,2 11.897,3 4.462,4 19.905,5 114.783,6 7.413,7 0.563,8 4.038,9 4.159,10 3.601,11 3.637,12 5.158,13 3.607,14 4.546,15 4.712,16 3.981,17 4.038,18 5.671,19 3.985,20 4.766,21 4.935,22 4.019,23 4.178,24 5.856,25 4.103,26 4.887,27 5.106,28 4.001,29 4.164,30 5.944,31 4.071,32 4.861,33 5.073,34 3.876,35 4.102,36 5.948,37 4.003,38 4.873,39 5.141,40 3.805,41 4.001,42 5.873,43 3.883,44 4.694,45 4.933,46 3.556,47 3.797,48 5.81,49 3.698,50 4.455,51 4.705,52 3.476,53 3.657,54 5.477,55 3.559,56 0.038,57 0.73,58 10.284,59 4.63,60 6.802,61 6.06,62 0.25,63 1.173,64 18.712,65 8.04,66 23.655,67 10.9,68 0.146,69 1.421,70 23.633,71 9.956,72 28.983,73 13.13,74 0.174,75 1.552,76 28.848,77 11.451,78 40.182,79 15.661,80 0.29,81 1.535,82 28.182,83 10.166,84 47.447,85 13.642,86 0.21,87 1.467,88 30.713,89 11.495,90 46.1,91 16.209,92 0.409,93 1.242,94 25.773,95 8.136,96 69.529,97 10.74,98 0.23,99 0.972,100 20.001,101 7.377,102 37.965,103 10.076,104 26,105 46,106 0.24,107 0.551,108 0.678,109 0.784,110 0.84,111 0.847,112 3.408,113 0.898,114 -4.88,115 -4.78,116 -4.49,119 46.2,120 3,125 1,142 9,143 7,144 2,158 1,159 1,172 18,175 1,178 3,179 1,180 6,183 24,188 2,193 6,196 19,200 6,205 12,208 15,213 6,218 7,221 8,225 7,230 10,233 7,238 4,243 3,246 8,250 2,254 1,255 3,258 14,264 2,267 1,269 2,272 12,276 1269,277 19.256,278 19.256,279 19.256,280 19.256,281 19.256,282 16.744,283 26.744,284 11.164,285 19.385,286 15.809,287 15.809,288 15.809,289 15.809,290 15.809,291 11.902,292 40.338,293 5.321,294 15.983,295 4.247,296 2.373,297 1.602,298 0.962,299 0.62,300 0.582,301 4.101,305 1,306 1,307 751,308 3.162,311 67.958,312 285.132,315 127.275,319 1.983,320 23.163,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 61.5,332 345,333 4.577,334 3.652,335 6.849,336 4.23,337 3.231,338 4.276,339 1.656,340 11.367,341 3.226,342 4.216,343 3.564,344 6.271,345 3.853,346 2.86,347 3.823,348 1.081,349 9.283,350 2.84,351 4.171,352 3.136,353 5.721,354 3.778,355 2.79,356 3.799,357 0.473,358 8.099,359 2.754,360 3.81,361 2.881,362 5.547,363 3.477,364 2.496,365 3.138,366 0.247,367 7.42,368 2.435,369 3.562,370 2.706,371 5.28,372 3.187,373 2.193,374 2.833,376 6.355,377 2.171,378 3.301,379 2.283,380 4.981,381 2.927,382 1.938,383 2.55,385 5.772,386 1.911,387 3.232,388 2.147,389 4.618,390 2.879,391 1.879,392 2.481,394 4.963,395 1.879,396 3.105,397 2.13,398 4.553,399 2.664,400 1.658,401 2.277,403 4.62,404 1.657,405 2.942,406 1.801,407 4.406,408 2.537,409 1.55,410 2.114,412 3.909,413 1.528,414 2.839,415 1.716,416 4.117,417 2.434,418 1.425,419 1.939,421 3.702,422 1.434,423 2.619,424 1.275,425 3.899,426 2.15,427 1.157,428 1.633,430 3.017,431 1.145,432 1.977,433 1.087,434 3.319,435 1.743,436 0.766,437 0.895,439 1.806,440 0.746,441 1.415,442 0.671,443 3.024,444 1.094,445 0.124,446 0.151,448 0.331,449 0.119,450 1.193,451 0.46,452 2.695,453 0.84,454 -0.137,455 -0.168,457 -0.37,458 -0.134,459 1,460 0.237,461 2.481,462 0.653,463 -0.347,464 -0.445,466 -0.891,467 -0.347,468 13.867,469 0.478,470 0.856,471 0.03,472 40,473 1.379,474 22,475 0.759,476 18,477 0.621,478 22.859,479 0.788,480 29.933,481 0.576,482 30.503,483 1.052,484 8.023,485 0.277,486 5.879,487 0.203,488 0.156,490 0.397,496 0.728,497 1.096,498 0.8,499 0.931,500 0.581,501 0.874,502 0.416,503 0.918,504 0.734,505 0.875,506 0.452,507 0.851,508 0.992,509 1.179,510 1.091,511 1.162,512 0.978,513 1.141,514 0.881,515 1.176,516 0.92,517 1.087,518 0.829,519 1.024,520 1.376,521 1.113,522 1.274,523 1.128,524 1.238,525 1.166,526 0.816,527 1.019,528 0.775,529 0.944,530 0.798,531 0.871,532 2.007,533 0.853,534 1.322,535 0.849,536 1.942,537 0.965,538 1.128,539 0.785,540 0.851,541 0.77,542 1.202,543 0.78,544 7,545 0.168,546 3.111,547 3.007,548 1.475,549 1.129,550 0.648,551 0.358,552 0.29,553 0.226,554 11591,555 28884,556 2.07,557 44.2,558 9,559 11,562 3,567 1.715,568 1.912,569 3.51,570 0.823,572 1,577 75.587,578 1.454,579 3.328,580 4.098,581 4.738,582 5.08,583 5.118,584 2.962,585 4.513,586 4.832,587 3.736,588 1516.83,589 8.389,590 21015.1,592 1,594 1,595 296.423,596 1.487,597 4.777,598 0.219,599 0.008,600 0.068,601 0.065,602 0.034,603 0.031,604 0.019,605 0.014,606 0.011,607 0.009,608 0.476,609 0.33,610 1,611 0.605,612 148.87,613 -0.062,614 0.028,615 0.029,616 0.058,617 -0.076,618 0.058,619 0.303,620 0.148,621 0.152,622 0.117,623 0.144,624 0.11,625 -0.112,626 -0.143,627 -0.188,628 -0.174,629 -0.117,630 -0.187,631 0.006,632 -0.198,633 0.043,634 -0.099,635 0.05,636 -0.038,637 -0.222,638 -0.072,639 -0.296,640 -0.184,641 -0.159,642 -0.233,643 0.086,644 -0.095,645 0.248,646 0.044,647 0.114,648 0.147,649 -0.381,650 0.165,651 -0.257,652 0.07,653 -0.285,654 -0.048,655 -0.025,656 0.166,657 0.172,658 0.212,659 -0.046,660 0.213,661 1.947,662 5.392,663 0.724,664 28.785,665 0.996,666 1.117,667 3.647,668 13.299,669 0.683,670 3.497,671 3.85,672 4.111,673 4.419,674 4.575,675 4.663,676 4.718,677 4.868,678 4.828,679 4.949,680 7.229,681 0.649,682 385.5,683 3.497,684 5.056,685 5.911,686 6.806,687 7.674,688 8.572,689 9.446,690 10.346,691 11.224,692 12.124,693 5.8,700 3,709 9,714 9,716 18,723 1,735 52,737 20,738 3,739 32,741 55,742 24,743 18,744 9,745 9,746 1,748 4,749 5,753 1,754 3,762 20,763 4,767 2,772 2,776 2,780 1,783 23,784 5,785 3,786 5,792 3,797 0.75,798 2,815 1,816 3,819 1,843 3,847 3,851 29,858 1,860 3,874 3.8,877 2,881 15.167,882 10.333,883 6.222,884 3.042,886 3.422,887 1.444,888 1.016,889 5.121,890 11.127,891 3.784,892 4.413,893 4.968,894 5.571,895 6.07,896 6.318,897 6.623,898 7.022,899 7.237,900 7.574,901 0.875,902 46,903 10.721,905 4.582,906 7.753,907 20.476,909 16.9,911 2.253,912 65.333,914 1,915 1,916 235.422,917 150.661,918 54.032,920 50.29,923 150.661,924 285.712,925 54.032,926 26.476,927 56.138,928 85.286,929 54.995,930 27.813,931 4.276,932 235.422,934 235.422,935 204.693,936 50.29,939 235.422,940 50.29,943 82.614,944 122.079,947 235.422,948 104.322,949 150.661,952 235.422,953 38.899,954 111.762,955 54.032,956 50.29,957 235.422,958 104.322,959 150.661,961 0.591,962 0.34,963 0.194,964 0.097,965 23,966 11,967 0.055,968 3,969 1,970 1.095,971 4.054,972 255.351,973 0.095,974 21,975 134.881,981 19.223,982 7.726,983 4.032,985 104.322,986 17.535,991 8.573,993 54.032,994 490.405,995 43,1000 24.328,1004 -0.307,1007 51.796,1008 58.066,1009 0.255,1010 0.584,1011 0.719,1012 0.831,1013 0.891,1014 0.898,1015 5.034,1016 1.658,1017 5.916,1018 4.963,1019 4.533,1020 5.1,1021 2.15,1022 6.742,1023 4.513,1024 6.263,1025 1.55,1026 7.484,1027 4.62,1028 4.205,1029 4.987,1030 1.195,1031 7.644,1032 4.191,1033 7.583,1034 1.425,1035 9.147,1036 3.909,1037 6.142,1038 7.299,1039 2.64,1040 10.761,1041 6.104,1042 8.934,1043 1.157,1044 10.865,1045 3.702,1046 6.581,1047 7.931,1048 2.324,1049 12.506,1050 6.55,1051 10.312,1052 0.766,1053 12.621,1054 3.017,1055 8.029,1056 9.769,1057 3.362,1058 15.156,1059 7.98,1060 11.71,1061 0.124,1062 14.405,1063 1.806,1064 8.836,1065 10.771,1066 3.407,1067 17.278,1068 8.794,1069 13.125,1070 -0.137,1071 16.21,1072 0.331,1073 10.088,1074 12.398,1075 4.212,1076 19.769,1077 10.035,1078 3.231,1079 -0.347,1080 18.033,1081 -0.37,1082 11.071,1083 13.594,1084 4.464,1085 22.058,1086 11.023,1087 2.86,1088 11.367,1089 19.87,1090 -0.891,1091 12.247,1092 15.119,1093 5.137,1094 24.497,1095 12.194,1096 2.79,1097 9.283,1098 21.72,1099 4.276,1100 13.315,1101 16.421,1102 5.504,1103 26.859,1104 13.264,1105 2.496,1106 8.099,1107 23.58,1108 3.823,1109 14.465,1110 17.895,1111 6.102,1112 29.283,1113 14.412,1114 2.193,1115 7.42,1116 25.449,1117 3.799,1118 15.574,1119 19.254,1120 6.531,1121 31.679,1122 15.523,1123 1.938,1124 6.355,1125 27.324,1126 3.138,1127 16.718,1128 20.705,1129 7.088,1130 34.101,1131 16.666,1132 1.879,1133 5.772,1134 29.207,1135 2.833,1136 17.848,1137 22.097,1138 7.551,1139 36.513,1140 17.798,1141 10974,1142 17463,1143 21.096,1144 35.54,1145 48.594,1146 50.338,1147 50.418,1148 48.07,1149 48.138,1150 63.817,1151 6.914,1152 141.29,1153 47.692,1154 5.448,1155 5.652,1156 6.36,1157 5.273,1158 5.231,1159 7.276,1160 2.912,1161 18.87,1162 5.226,1163 15.857,1164 1.519,1165 1.573,1166 1.576,1167 1.502,1168 1.504,1169 1.994,1170 0.216,1171 4.415,1172 1.49,1173 4.075,1174 4.098,1175 4.032,1176 4.018,1177 7.432,1178 4.018,1179 3.95,1180 3.981,1181 3.891,1182 3.884,1183 7.428,1184 3.881,1185 3.846,1186 3.878,1187 3.79,1188 3.764,1189 4.82,1190 3.765,1191 3.467,1192 3.516,1193 3.411,1194 3.217,1195 4.738,1196 3.254,1197 3.367,1198 3.425,1199 3.273,1200 3.165,1201 4.595,1202 3.185,1203 3.266,1204 3.35,1205 3.067,1206 3.125,1207 4.062,1208 3.101,1209 3.164,1210 3.249,1211 2.987,1212 3.008,1213 4.047,1214 2.992,1215 3.046,1216 3.111,1217 2.911,1218 2.919,1219 3.966,1220 2.912,1221 0.143,1222 0.114,1223 0.214,1224 0.132,1225 0.101,1226 4.577,1227 0.134,1228 3.652,1229 0.052,1230 6.849,1231 0.355,1232 4.23,1233 0.101,1234 3.231,1235 4.276,1236 1.656,1237 11.367,1238 3.226,1239 2.007,1240 1.989,1241 2.09,1242 2.072,1243 1.27,1244 2.078,1245 1.937,1246 1.909,1247 2.056,1248 2.024,1249 1.183,1250 2.036,1251 1.783,1252 1.758,1253 1.897,1254 1.875,1255 1.038,1256 1.882,1257 1.367,1258 1.312,1259 1.639,1260 1.659,1261 0.719,1262 1.63,1263 1.322,1264 1.261,1265 1.574,1266 1.616,1267 0.715,1268 1.591,1269 1.303,1270 1.226,1271 1.567,1272 1.507,1273 0.617,1274 1.557,1275 1.184,1276 1.108,1277 1.476,1278 1.404,1279 0.521,1280 1.444,1281 1.039,1282 1.002,1283 1.273,1284 1.245,1285 0.317,1286 1.269,1287 4.174,1289 5.517,1290 2.398,1291 7.043,1292 4.727,1293 8.659,1294 6.823,1295 10.322,1297 6.009,1303 0.544,1305 8.651,1314 33.762,1315 75.587,1316 173.046,1317 213.1,1318 246.384,1319 264.158,1320 266.158,1321 47.707,1322 7.705,1323 70.23,1324 70.23,1325 23,1326 12.65,1327 4.392,1328 3.585,1329 44.988,1330 129,1331 103,1332 0.172,1333 207.587,1334 363.16,1335 498.272,1336 24960,1338 20.543,1339 0.708,1340 0.577,1341 20.543,1342 16.72,1343 13.902,1344 0.434,1345 0.299,1346 9.498,1347 13.571,1348 9.121,1349 7.648,1350 13.902,1351 9.579,1352 13.157,1353 0.286,1354 0.163,1355 13.157,1356 7.5,1357 10.503,1358 0.175,1359 0.085,1360 10.503,1361 5.1,1362 9.592,1363 0.117,1364 0.047,1365 9.592,1366 3.89,1367 6.923,1368 0.072,1369 0.024,1370 6.923,1371 2.32,1372 0.275,1373 85.837,1374 0.218,1375 27.795,1376 0.458,1377 156,1378 414.47,1379 166.423,1380 411.941,1381 566.93,1382 384,1383 184,1384 420.47,1385 193.15,1386 434.124,1387 631.71,1388 407,1389 5.4}
{0 CHEMBL2004355,1 1.866,2 11.192,3 0.732,4 0.535,5 96.924,6 8.731,7 0.444,8 3.869,9 3.97,10 3.699,11 3.403,12 5.123,13 3.389,14 4.355,15 4.489,16 3.935,17 3.729,18 5.869,19 3.71,20 4.57,21 4.729,22 3.996,23 3.837,24 5.951,25 3.815,26 4.61,27 4.788,28 3.918,29 3.771,30 6.079,31 3.75,32 4.565,33 4.776,34 3.742,35 3.683,36 5.929,37 3.64,38 4.411,39 4.599,40 3.641,41 3.606,42 5.716,43 3.552,44 4.449,45 4.661,46 3.539,47 3.519,48 5.895,49 3.458,50 4.322,51 4.573,52 3.447,53 3.43,54 5.444,55 3.345,56 0.18,57 0.677,58 9.514,59 3.803,60 35.905,61 4.003,62 0.523,63 0.965,64 16.085,65 6.371,66 84.396,67 7.239,68 0.572,69 1.139,70 20.834,71 7.651,72 83.286,73 8.638,74 0.669,75 1.148,76 21.554,77 7.221,78 105.382,79 8.472,80 0.763,81 1.043,82 20.872,83 6.517,84 111.987,85 8.299,86 0.451,87 0.944,88 18.654,89 6.228,90 85.97,91 7.625,92 0.738,93 0.913,94 19.875,95 5.734,96 128.622,97 6.911,98 0.503,99 0.785,100 19.865,101 5.868,102 87.549,103 7.66,104 60,105 38,106 0.323,107 0.711,108 0.816,109 0.847,110 0.847,111 0.847,112 3.303,113 1.004,114 -1.2,115 -1.29,116 -1.37,119 37.2,120 1,125 2,142 5,143 2,144 2,146 1,147 1,158 2,163 2,164 2,165 2,172 4,174 2,175 5,177 2,178 3,180 3,183 5,185 2,187 1,188 5,191 1,193 5,196 2,198 2,199 2,200 8,202 3,203 3,205 4,208 1,210 2,212 1,213 6,215 1,216 2,217 1,218 2,220 1,221 1,223 1,225 5,230 1,233 3,235 1,237 1,238 4,241 3,242 1,243 2,245 1,246 3,248 1,250 2,255 2,258 2,260 2,263 2,264 3,266 1,267 1,269 2,272 3,274 2,276 1028,277 16.85,278 16.85,279 16.85,280 16.85,281 16.85,282 14.865,283 19.519,284 9.791,285 17.328,286 13.183,287 13.183,288 13.183,289 13.183,290 13.183,291 9.931,292 19.137,293 4.429,294 13.876,295 3.56,296 1.313,297 0.706,298 0.529,299 0.529,300 0.529,301 3.961,305 1,306 1,307 589,308 4.123,312 198.651,319 1.746,320 44.979,323 1,324 0.83,325 1,326 0.6,328 0.83,329 0.5,330 0.68,331 58.5,332 291,333 4.801,334 4.661,335 7.111,336 4.229,337 3.313,338 4.66,339 2.035,340 11.657,341 3.002,342 4.473,343 4.087,344 6.504,345 4.043,346 3.078,347 4.167,348 1.081,349 10.156,350 2.97,351 3.979,352 3.569,353 5.954,354 3.619,355 2.63,356 3.438,357 0.86,358 8.288,359 2.591,360 3.861,361 3.074,362 5.352,363 3.444,364 2.447,365 3.296,366 0.473,367 6.994,368 2.436,369 3.341,370 2.711,371 5.062,372 2.922,373 2.01,374 2.558,376 5.777,377 1.824,378 3.282,379 2.375,380 4.59,381 2.653,382 1.667,383 2.337,385 4.735,386 1.64,387 3.112,388 1.878,389 4.29,390 2.417,391 1.436,392 2.023,394 3.904,395 1.398,396 2.765,397 1.747,398 3.609,399 2.086,400 1.176,401 1.5,403 2.345,404 1.059,405 2.5,406 1.538,407 3.414,408 2,409 1,410 1.44,412 2.275,413 1,414 2.181,415 1.167,416 3.13,417 1.711,418 0.778,419 1.03,421 1.41,422 0.721,423 1.804,424 1,425 2.922,426 1.442,427 0.45,428 0.579,430 0.946,431 0.44,432 1.345,433 0.834,434 2.677,435 0.709,436 -0.218,437 -0.297,439 -0.33,440 -0.2,441 1,442 0.389,443 2.6,444 0.62,445 -0.31,446 -0.428,448 -0.668,449 -0.287,450 1,451 -0.092,452 2.302,453 0.557,454 -0.423,455 -0.537,457 -0.989,458 -0.405,459 0.965,460 -0.191,461 2,462 0.161,463 -0.803,464 -1.019,466 -1.722,467 -0.761,468 12.167,469 0.468,470 0.829,471 0.032,472 36.75,473 1.413,474 20.5,475 0.788,476 16.25,477 0.625,478 18.106,479 0.696,480 28.633,481 0.666,482 29.544,483 1.136,484 7.171,485 0.276,486 5.086,487 0.196,488 0.222,489 0.068,490 0.288,496 0.726,497 1.256,498 0.829,499 1.211,500 0.752,501 0.883,502 0.691,503 1.075,504 0.868,505 1.021,506 0.487,507 0.9,508 1.094,509 1.185,510 0.948,511 1.054,512 0.913,513 0.988,514 1.096,515 1.131,516 1.011,517 1.076,518 1.05,519 1.106,520 1.023,521 0.837,522 0.853,523 0.746,524 1.005,525 0.951,526 1.009,527 1.259,528 1.063,529 1.196,530 1.047,531 1.188,532 1.252,533 0.776,534 1.129,535 0.818,536 1.29,537 1.056,538 0.909,539 0.748,540 0.753,541 0.721,542 0.905,543 0.788,544 7,545 0.132,546 3.778,547 1.875,548 1.627,549 1.25,550 0.426,551 0.271,552 0.329,553 0.203,554 7547,555 29666,556 1.901,557 39.5,559 9,562 5,564 3,567 1.687,568 1.724,569 3.434,570 2.672,572 1,577 80.233,578 1.866,579 4.113,580 4.72,581 4.897,582 4.897,583 4.897,584 2.888,585 3.902,586 4.673,587 3.656,588 1188.19,589 8.076,590 15385.3,592 1,595 233.329,596 1.725,597 4.583,598 0.259,599 0.007,600 0.099,601 0.047,602 0.045,603 0.042,604 0.016,605 0.012,606 0.016,607 0.009,608 0.552,609 0.17,610 0.88,611 1.231,612 129.17,613 -0.05,614 -0.008,615 0.168,616 -0.018,617 -0.173,618 0.075,619 0.207,620 0.008,621 0.043,622 0.026,623 0.251,624 0.06,625 -0.125,626 -0.173,627 -0.045,628 -0.064,629 -0.057,630 -0.026,631 -0.092,632 -0.122,633 -0.149,634 -0.179,635 -0.062,636 -0.184,637 -0.044,638 0.112,639 -0.053,640 0.066,641 -0.088,642 -0.013,643 -0.155,644 -0.271,645 -0.167,646 -0.239,647 -0.129,648 -0.205,649 -0.173,650 0.188,651 -0.241,652 0.025,653 -0.163,654 -0.141,655 -0.066,656 0.129,657 0.201,658 0.197,659 -0.095,660 0.26,661 4.684,662 5.269,663 0.462,664 24.698,665 1.028,666 1.133,667 -0.028,668 0.001,669 0.676,670 3.332,671 3.664,672 3.85,673 4.007,674 4.174,675 4.234,676 4.159,677 3.989,678 4.078,679 4.094,680 6.84,681 0.658,682 375.45,683 3.332,684 4.875,685 5.7,686 6.575,687 7.421,688 8.297,689 9.149,690 10.024,691 10.879,692 11.754,693 11.6,697 2,700 1,702 1,703 1,709 5,710 1,714 6,716 12,718 1,723 1,727 1,733 1,735 43,737 16,738 1,739 27,741 44,742 16,743 11,744 2,745 4,746 1,748 2,749 2,754 1,761 1,762 12,763 3,767 3,770 1,772 3,776 1,779 1,780 1,783 17,784 9,785 5,786 10,787 1,792 5,797 1,798 4,809 1,816 2,843 2,845 1,847 1,851 26,852 2,855 1,858 2,860 1,861 1,866 1,870 1,872 1,874 9.3,877 3,879 1,881 15.083,882 7.817,883 5.833,884 2.338,886 2.453,887 1.364,888 0.959,889 6.169,890 9.187,891 3.664,892 4.263,893 4.749,894 5.247,895 5.716,896 5.96,897 6.131,898 5.815,899 6.076,900 6.332,901 1,902 40,903 9.791,905 4.372,906 8.349,907 17.261,909 13.596,911 2.849,912 74.083,916 141.253,917 108.268,918 130.044,920 80.458,922 5.807,923 102.461,924 221.711,925 130.044,926 8.825,927 24.709,928 117.377,929 107.55,930 55.495,931 4.815,932 141.253,934 141.253,935 232.505,936 80.458,937 5.807,939 105.94,940 115.771,943 67.35,944 148.369,945 22.593,947 141.253,948 210.502,949 108.268,951 5.807,952 141.253,953 29.653,954 56.206,955 34.612,956 192.491,957 141.253,958 210.502,959 108.268,961 0.584,962 0.335,963 0.167,964 0.089,965 16,966 9,967 0.136,968 6,970 1,971 3.655,972 201.98,974 12,975 116.211,980 1,981 19.672,982 8.153,983 4.936,985 210.502,986 7.058,987 4.02,991 0.812,993 82.199,994 460.024,995 38,998 -3.767,1000 34.705,1004 -0.516,1007 44.196,1008 48.74,1009 0.344,1010 0.758,1011 0.87,1012 0.902,1013 0.902,1014 0.902,1015 4.913,1016 1.176,1017 5.74,1018 3.904,1019 4.344,1020 4.949,1021 2.606,1022 6.583,1023 4.25,1024 6.177,1025 1,1026 7.34,1027 2.345,1028 4.205,1029 5.112,1031 7.789,1032 4.05,1033 7.538,1034 0.778,1035 9.053,1036 2.275,1037 6.033,1038 7.282,1039 3.669,1040 10.756,1041 5.83,1042 8.938,1043 0.45,1044 10.831,1045 1.41,1046 6.661,1047 8.223,1049 12.724,1050 6.374,1051 10.371,1052 -0.218,1053 12.65,1054 0.946,1055 8.047,1056 9.96,1057 4.99,1058 15.305,1059 7.711,1060 11.827,1061 -0.31,1062 14.498,1063 -0.33,1064 8.988,1065 11.221,1067 17.555,1068 8.558,1069 13.301,1070 -0.423,1071 16.365,1072 -0.668,1073 10.225,1074 12.813,1075 6.385,1076 20.025,1077 9.736,1078 3.313,1079 -0.803,1080 18.248,1081 -0.989,1082 11.298,1083 14.213,1085 22.385,1086 10.712,1087 3.078,1088 11.657,1089 20.142,1090 -1.722,1091 12.486,1092 15.754,1093 7.799,1094 24.825,1095 11.83,1096 2.63,1097 10.156,1098 22.046,1099 4.66,1100 13.615,1101 17.218,1103 27.23,1104 12.864,1105 2.447,1106 8.288,1107 23.958,1108 4.167,1109 14.79,1110 18.743,1111 9.218,1112 29.665,1113 13.959,1114 2.01,1115 6.994,1116 25.876,1117 3.438,1118 15.945,1119 20.237,1121 32.09,1122 15.02,1123 1.667,1124 5.777,1125 27.8,1126 3.296,1127 17.118,1128 21.759,1129 10.638,1130 34.528,1131 16.108,1132 1.436,1133 4.735,1134 29.728,1135 2.558,1136 18.285,1137 23.269,1139 36.963,1140 17.183,1141 7747,1142 15504,1143 16.701,1144 29.063,1145 41.233,1146 45.105,1147 41.949,1148 40.022,1149 39.97,1150 54.059,1151 8.897,1152 116.976,1153 38.164,1154 5.674,1155 6.661,1156 6.874,1157 5.282,1158 5.313,1159 7.66,1160 4.069,1161 18.545,1162 5.002,1163 17.639,1164 1.527,1165 1.671,1166 1.554,1167 1.482,1168 1.48,1169 2.002,1170 0.33,1171 4.332,1172 1.413,1173 4.07,1174 4.057,1175 4.728,1176 4.056,1177 7.726,1178 3.975,1179 3.938,1180 3.959,1181 3.927,1182 3.816,1183 7.429,1184 3.834,1185 3.69,1186 3.691,1187 3.742,1188 3.6,1189 6.999,1190 3.529,1191 3.485,1192 3.545,1193 3.409,1194 3.273,1195 6.82,1196 3.278,1197 3.404,1198 3.445,1199 3.271,1200 3.197,1201 5.111,1202 3.214,1203 3.106,1204 3.175,1205 3.042,1206 2.91,1207 4.832,1208 2.92,1209 2.982,1210 3.09,1211 2.845,1212 2.735,1213 4.76,1214 2.718,1215 2.854,1216 2.925,1217 2.723,1218 2.69,1219 4.669,1220 2.715,1221 0.178,1222 0.173,1223 0.263,1224 0.157,1225 0.123,1226 4.801,1227 0.173,1228 4.661,1229 0.075,1230 7.111,1231 0.432,1232 4.229,1233 0.111,1234 3.313,1235 4.66,1236 2.035,1237 11.657,1238 3.002,1239 1.97,1240 1.973,1241 2.02,1242 2.049,1243 1.206,1244 2.075,1245 1.857,1246 1.835,1247 1.91,1248 1.996,1249 0.983,1250 1.978,1251 1.532,1252 1.547,1253 1.782,1254 1.738,1255 0.907,1256 1.76,1257 1.46,1258 1.391,1259 1.547,1260 1.691,1261 0.788,1262 1.723,1263 1.283,1264 1.257,1265 1.256,1266 1.532,1267 0.35,1268 1.518,1269 1.034,1270 0.975,1271 1.181,1272 1.267,1273 0.218,1274 1.242,1275 0.886,1276 0.821,1277 1.176,1278 1.245,1279 0.165,1280 1.236,1281 0.875,1282 0.789,1283 1.153,1284 1.062,1285 0.088,1286 1.107,1287 4.007,1289 5.333,1291 6.849,1293 8.451,1295 10.096,1297 1.719,1301 10.803,1303 0.401,1305 2.631,1306 5.245,1312 9.085,1313 1.887,1314 28.314,1315 80.233,1316 176.849,1317 202.965,1318 210.574,1319 210.574,1320 210.574,1321 79.895,1322 6.733,1323 161.19,1324 169.57,1325 12,1326 12.297,1327 4.087,1328 3.585,1329 55.296,1330 107,1331 90,1332 0.253,1333 184.202,1334 323.75,1335 441.213,1336 6763,1338 19.32,1339 0.743,1340 0.566,1341 19.57,1342 14.708,1343 12.257,1344 0.454,1345 0.335,1346 7.492,1347 10.935,1348 7.189,1349 5.993,1350 13.151,1351 9.039,1352 11.468,1353 0.302,1354 0.178,1355 12.855,1356 6.755,1357 8.654,1358 0.188,1359 0.093,1360 9.411,1361 4.276,1362 6.731,1363 0.125,1364 0.048,1365 7.248,1366 2.596,1367 4.972,1368 0.078,1369 0.026,1370 5.34,1371 1.681,1372 0.405,1373 86.723,1374 0.245,1375 25.394,1376 0.673,1377 130,1378 488.05,1379 179.904,1380 491.051,1381 640.88,1382 446,1383 149,1384 427.179,1385 204.17,1386 467.366,1387 670.7,1388 434,1389 5.1}
{0 CHEMBL2004365,1 1.864,2 9.2,3 2.418,4 5.849,5 121.644,6 9.779,7 0.303,8 3.98,9 4.06,10 3.871,11 3.668,12 5.211,13 3.603,14 4.466,15 4.565,16 4.299,17 4.078,18 5.739,19 3.986,20 4.643,21 4.763,22 4.325,23 4.143,24 5.846,25 4.063,26 4.757,27 4.851,28 4.617,29 4.262,30 6.214,31 4.205,32 4.901,33 4.997,34 4.727,35 4.333,36 6.302,37 4.283,38 4.948,39 5.057,40 4.574,41 4.262,42 6.645,43 4.214,44 4.919,45 5.113,46 4.161,47 4.17,48 6.114,49 4.037,50 4.755,51 4.957,52 3.99,53 4.033,54 5.919,55 3.863,56 0.131,57 0.679,58 6.256,59 4.364,60 17.937,61 4.196,62 0.413,63 1.098,64 16.071,65 8.297,66 40.283,67 8.203,68 0.413,69 1.296,70 26.127,71 10.787,72 53.641,73 9.674,74 0.689,75 1.479,76 22.728,77 10.343,78 84.54,79 8.696,80 0.64,81 1.693,82 34.279,83 13.38,84 82.518,85 10.285,86 1.163,87 1.746,88 29.784,89 12.647,90 183.121,91 10.529,92 0.891,93 1.695,94 34.536,95 13.011,96 124.236,97 11.803,98 0.552,99 1.423,100 37.352,101 13.491,102 72.2,103 13.63,104 43,105 48,106 0.314,107 0.7,108 0.826,109 0.884,110 0.898,111 0.898,112 3.442,113 1.048,114 -2.83,115 -2.84,116 -2.75,119 42.6,120 1,122 1,125 1,135 1,136 2,138 1,139 2,142 4,151 2,152 2,158 3,163 2,164 2,165 2,172 4,174 2,175 7,177 2,178 2,180 2,183 11,185 2,188 7,193 2,196 7,198 2,199 3,200 7,202 4,203 4,205 4,208 7,210 4,213 13,218 5,221 6,223 5,224 5,225 10,227 4,228 4,229 1,230 4,232 2,233 4,235 4,236 1,238 4,243 2,246 9,248 2,250 5,255 4,258 5,260 4,264 5,269 1,272 5,274 1,276 1278,277 20.181,278 20.181,279 20.181,280 20.181,281 20.181,282 17.88,283 20.652,284 11.832,285 21.02,286 16.236,287 16.236,288 16.236,289 16.236,290 16.236,291 12.635,292 22.349,293 5.495,294 17.504,295 3.69,296 1.402,297 0.654,298 0.314,299 0.229,300 0.229,301 4.128,305 1,306 1,307 590,308 3.742,311 221.194,312 78.842,315 121.768,319 1.427,320 46.658,323 1,324 0.83,325 1,326 0.4,328 0.83,329 1,330 0.72,331 65.5,332 276,333 4.764,334 4.722,335 7.308,336 4.441,337 3.485,338 4.213,339 3.151,340 13.094,341 3.341,342 4.266,343 3.88,344 6.661,345 3.935,346 2.984,347 3.714,348 1.674,349 10.624,350 2.82,351 4.087,352 3.603,353 6.337,354 3.667,355 2.684,356 3.494,357 1.36,358 9.314,359 2.631,360 3.949,361 3.399,362 5.802,363 3.473,364 2.561,365 3.473,366 1.197,367 7.862,368 2.321,369 3.788,370 3.197,371 5.494,372 3.307,373 2.372,374 3.207,375 0.98,376 6.988,377 2.191,378 3.39,379 3.057,380 5.224,381 2.984,382 2.056,383 2.519,384 0.437,385 6.177,386 1.891,387 3.099,388 2.522,389 4.841,390 2.613,391 1.687,392 2.138,394 4.791,395 1.537,396 2.995,397 2.425,398 4.546,399 2.582,400 1.614,401 2.058,403 4.18,404 1.533,405 2.792,406 2.059,407 4.321,408 2.293,409 1.331,410 1.811,412 3.435,413 1.257,414 2.474,415 1.811,416 3.562,417 2.035,418 1.118,419 1.431,421 2.52,422 1.006,423 2.265,424 1.426,425 3.395,426 1.893,427 0.953,428 1.148,430 2.085,431 0.875,432 2.118,433 1.213,434 3.37,435 1.752,436 0.792,437 0.973,439 1.555,440 0.742,441 2.118,442 1.137,443 3.046,444 1.463,445 0.618,446 0.927,448 1.372,449 0.507,450 2.08,451 0.688,452 3,453 1.462,454 0.618,455 0.927,457 1.372,458 0.506,459 1.464,460 0.618,461 3,462 1.084,463 0.129,464 0.151,466 0.337,467 0.12,468 15.033,469 0.501,470 0.823,471 0.027,472 36,473 1.2,474 17,475 0.567,476 19,477 0.633,478 30.985,479 1.033,480 31.167,481 0.663,482 29.718,483 0.991,484 6.893,485 0.23,486 7.541,487 0.251,488 0.153,490 0.392,496 0.769,497 0.899,498 0.705,499 0.716,500 0.67,501 0.714,502 0.6,503 0.886,504 0.843,505 0.857,506 0.496,507 0.795,508 1.041,509 1.083,510 1.078,511 1.065,512 0.942,513 0.889,514 1.066,515 0.949,516 0.757,517 0.816,518 1.234,519 0.787,520 1.365,521 1.304,522 0.954,523 1.16,524 1.437,525 0.921,526 1.077,527 1.204,528 1.068,529 1.13,530 1.007,531 1.114,532 1.413,533 0.784,534 1.059,535 0.815,536 1.405,537 1.026,538 0.879,539 1.064,540 1.172,541 1.175,542 0.942,543 1.171,544 5,545 0.054,546 3.111,547 3.167,548 2.822,549 2.292,550 1.2,551 0.578,552 0.372,553 0.135,554 9630,555 33306,556 2.048,557 36.2,559 7,560 2,562 4,563 1,564 3,567 1.74,568 1.875,569 3.093,570 1.697,572 1,577 87.63,578 1.864,579 4.152,580 4.9,581 5.241,582 5.326,583 5.326,584 2.666,585 4.282,586 4.873,587 3.301,588 1435.92,589 8.572,590 18721.2,595 261.066,596 1.522,597 4.816,598 0.152,599 0.004,600 0.065,601 0.062,602 0.046,603 0.035,604 0.02,605 0.015,606 0.012,607 0.007,608 0.416,609 0.17,610 1,611 1.216,612 148.719,613 -0.116,614 0.135,615 0.029,616 0.133,617 -0.113,618 0.102,619 0.184,620 0.116,621 0.07,622 0.113,623 0.116,624 0.108,625 -0.127,626 -0.084,627 -0.087,628 -0.054,629 -0.09,630 0.048,631 0.082,632 0.101,633 0.114,634 0.099,635 -0.032,636 0.038,637 -0.137,638 -0.282,639 0.07,640 -0.136,641 -0.155,642 -0.04,643 0.271,644 -0.158,645 -0.164,646 -0.214,647 0.393,648 -0.28,649 -0.33,650 0.206,651 -0.155,652 0.085,653 -0.28,654 -0.051,655 -0.047,656 -0.138,657 -0.096,658 -0.134,659 -0.032,660 -0.077,661 2.389,662 6.155,663 0.633,664 26.667,665 1.022,666 1.106,667 1.596,668 2.549,669 0.747,670 3.526,671 3.892,672 4.248,673 4.625,674 4.852,675 5.1,676 5.268,677 5.398,678 5.412,679 5.429,680 5.627,681 0.706,682 459.61,683 3.526,684 5.094,685 5.984,686 6.909,687 7.83,688 8.769,689 9.703,690 10.649,691 11.59,692 12.539,693 6.4,694 1,700 2,709 6,713 2,714 2,716 10,735 47,737 16,739 33,741 50,742 20,743 8,746 9,748 4,749 5,754 1,758 1,762 17,763 3,764 1,767 6,772 3,774 1,776 8,780 1,783 17,784 7,785 4,786 10,787 3,792 3,797 0.75,798 4,815 3,816 1,819 1,828 1,830 1,832 1,834 2,835 2,836 1,843 3,844 1,845 3,847 1,851 30,852 2,858 1,861 1,862 1,863 1,864 1,869 2,874 8.5,877 3,879 1,881 16,882 8.7,883 6.639,884 2.685,886 2.456,887 1.32,888 1.006,889 6.181,890 10.138,891 3.807,892 4.388,893 4.961,894 5.542,895 5.903,896 6.378,897 6.773,898 7.139,899 7.386,900 7.718,901 1,902 51,903 11.223,905 5.042,906 8.017,907 20.677,909 17.26,911 2.517,912 75.5,915 1,916 153.024,917 201.561,918 68.919,920 86.435,922 94.775,923 106.786,924 239.459,925 68.919,926 8.825,927 73.511,928 62.679,929 93.586,930 20.821,931 26.259,932 224.257,934 153.024,935 175.705,936 86.435,937 94.775,939 117.711,940 121.748,943 82.336,944 82.342,945 11.027,946 94.775,947 153.024,948 155.353,949 201.561,952 153.024,953 130.056,954 74.629,956 152.229,957 153.024,958 155.353,959 201.561,961 0.583,962 0.357,963 0.216,964 0.116,965 24,966 12,967 0.12,968 6,969 1,970 1.105,971 3.824,972 292.666,973 0.105,974 19,975 147.207,977 3,981 21.34,982 8.689,983 3.799,985 155.353,986 11.095,990 2.846,991 1.598,993 65.794,994 509.939,995 44,1000 38.533,1002 1.735,1004 -0.931,1007 48.029,1008 51.999,1009 0.336,1010 0.748,1011 0.882,1012 0.943,1013 0.959,1014 0.959,1015 5.078,1016 1.614,1017 5.999,1018 4.791,1019 4.575,1020 5.075,1021 3.534,1022 6.911,1023 4.445,1024 6.304,1025 1.331,1026 7.618,1027 4.18,1028 4.29,1029 4.913,1030 1.185,1031 8.021,1032 4.148,1033 7.638,1034 1.118,1035 9.344,1036 3.435,1037 6.248,1038 7.226,1039 5.407,1040 11.225,1041 6.024,1042 9.009,1043 0.953,1044 11.134,1045 2.52,1046 6.825,1047 7.905,1048 1.966,1049 13.193,1050 6.58,1051 10.415,1052 0.792,1053 12.965,1054 2.085,1055 8.261,1056 9.655,1057 7.608,1058 15.939,1059 7.96,1060 11.845,1061 0.618,1062 14.824,1063 1.555,1064 9.207,1065 10.707,1066 3.176,1067 18.254,1068 8.875,1069 13.294,1070 0.618,1071 16.704,1072 1.372,1073 10.477,1074 12.241,1075 9.881,1076 20.861,1077 10.102,1078 3.485,1079 0.129,1080 18.601,1081 1.372,1082 11.582,1083 13.471,1084 5.213,1085 23.32,1086 11.17,1087 2.984,1088 13.094,1089 20.51,1090 0.337,1091 12.807,1092 14.919,1093 12.17,1094 25.888,1095 12.355,1096 2.684,1097 10.624,1098 22.43,1099 4.213,1100 13.98,1101 16.237,1102 7.613,1103 28.407,1104 13.49,1105 2.561,1106 9.314,1107 24.359,1108 3.714,1109 15.199,1110 17.655,1111 14.464,1112 30.967,1113 14.669,1114 2.372,1115 7.862,1116 26.296,1117 3.494,1118 16.405,1119 19.019,1120 10.06,1121 33.512,1122 15.835,1123 2.056,1124 6.988,1125 28.238,1126 3.473,1127 17.629,1128 20.43,1129 16.759,1130 36.073,1131 17.018,1132 1.687,1133 6.177,1134 30.186,1135 3.207,1136 18.85,1137 21.819,1138 12.496,1139 38.63,1140 18.2,1141 9391,1142 17615,1143 21.501,1144 35.108,1145 51.299,1146 54.461,1147 52.54,1148 49.873,1149 50.004,1150 64.369,1151 17.599,1152 151.412,1153 46.555,1154 5.669,1155 6.669,1156 7.077,1157 5.596,1158 5.485,1159 6.985,1160 6.301,1161 21.094,1162 5.288,1163 16.636,1164 1.555,1165 1.65,1166 1.592,1167 1.511,1168 1.515,1169 1.951,1170 0.533,1171 4.588,1172 1.411,1173 4.043,1174 4.054,1175 4.28,1176 4.025,1177 7.44,1178 3.98,1179 3.867,1180 3.87,1181 4.215,1182 3.92,1183 7.432,1184 3.835,1185 3.743,1186 3.755,1187 4.042,1188 3.736,1189 7.426,1190 3.677,1191 3.575,1192 3.603,1193 3.628,1194 3.417,1195 5.061,1196 3.406,1197 3.445,1198 3.473,1199 3.429,1200 3.277,1201 4.886,1202 3.287,1203 3.373,1204 3.422,1205 3.259,1206 3.179,1207 4.704,1208 3.187,1209 3.003,1210 3.06,1211 2.977,1212 2.72,1213 4.66,1214 2.757,1215 2.912,1216 2.996,1217 2.893,1218 2.645,1219 4.459,1220 2.664,1221 0.144,1222 0.143,1223 0.221,1224 0.135,1225 0.106,1226 4.764,1227 0.128,1228 4.722,1229 0.095,1230 7.308,1231 0.397,1232 4.441,1233 0.101,1234 3.485,1235 4.213,1236 3.151,1237 13.094,1238 3.341,1239 1.873,1240 1.86,1241 1.911,1242 1.995,1243 1.222,1244 1.974,1245 1.649,1246 1.646,1247 1.796,1248 1.746,1249 0.937,1250 1.757,1251 1.491,1252 1.44,1253 1.718,1254 1.713,1255 0.874,1256 1.728,1257 1.454,1258 1.415,1259 1.621,1260 1.588,1261 0.674,1262 1.597,1263 1.427,1264 1.4,1265 1.507,1266 1.574,1267 0.647,1268 1.569,1269 1.298,1270 1.28,1271 1.422,1272 1.498,1273 0.514,1274 1.524,1275 1.269,1276 1.266,1277 1.246,1278 1.325,1279 0.389,1280 1.384,1281 1.085,1282 1.101,1283 1.087,1284 1.265,1285 0.24,1286 1.239,1287 4.205,1289 5.557,1290 3.434,1291 7.101,1292 5.687,1293 8.753,1294 7.703,1295 10.477,1297 1.673,1301 12.096,1303 0.126,1306 5.199,1307 1.131,1308 -0.797,1309 1.195,1314 33.172,1315 87.63,1316 195.15,1317 230.311,1318 246.311,1319 250.311,1320 250.311,1321 77.478,1322 7.682,1323 117.41,1324 202.13,1325 21,1326 13.031,1327 4.087,1328 3.585,1329 46.43,1330 103,1331 105,1332 0.235,1333 213.53,1334 380.61,1335 512.774,1336 18996,1338 21.413,1339 0.714,1340 0.608,1341 22.474,1342 18.235,1343 14.435,1344 0.437,1345 0.349,1346 9.061,1347 12.507,1348 8.632,1349 7.096,1350 15.751,1351 11.528,1352 13.128,1353 0.273,1354 0.194,1355 14.937,1356 9.307,1357 11.243,1358 0.163,1359 0.108,1360 13.339,1361 7.418,1362 10.297,1363 0.102,1364 0.06,1365 12.712,1366 6.088,1367 7.523,1368 0.059,1369 0.031,1370 9.419,1371 3.935,1372 0.349,1373 103.491,1374 0.216,1375 27.317,1376 0.711,1377 162,1378 533.793,1379 248.23,1380 571.722,1381 769.73,1382 532,1383 198,1384 511.822,1385 273.595,1386 558.37,1387 831.59,1388 526,1389 5.1}
{0 CHEMBL2004419,1 1.688,2 10,3 5.969,4 35.634,5 115.367,6 8.643,7 0.735,8 4.026,9 4.14,10 3.76,11 3.631,12 5.202,13 3.608,14 4.545,15 4.702,16 4.192,17 4.036,18 5.716,19 4.008,20 4.76,21 4.949,22 4.192,23 4.129,24 5.948,25 4.083,26 4.853,27 5.083,28 4.184,29 4.146,30 5.95,31 4.095,32 4.792,33 4.971,34 4.285,35 4.221,36 5.994,37 4.157,38 4.921,39 5.116,40 4.26,41 4.254,42 6.135,43 4.16,44 4.862,45 5.091,46 4.23,47 4.108,48 6.036,49 4.034,50 4.702,51 4.914,52 4.047,53 3.914,54 5.987,55 3.859,56 0.078,57 0.915,58 8.044,59 4.353,60 10.851,61 4.916,62 0.26,63 1.509,64 17.799,65 7.549,66 21.562,67 8.946,68 0.402,69 1.816,70 23.007,71 9.478,72 47.938,73 11.088,74 0.533,75 1.867,76 27.673,77 9.952,78 54.292,79 12.37,80 0.428,81 1.873,82 22.274,83 9.784,84 49.183,85 11.599,86 0.62,87 2.158,88 31.318,89 12.137,90 75.832,91 13.267,92 0.515,93 2.01,94 33.213,95 12.209,96 50.613,97 14.427,98 0.582,99 1.821,100 25.763,101 9.278,102 73.006,103 9.541,104 28,105 51,106 0.28,107 0.66,108 0.785,109 0.831,110 0.831,111 0.831,112 3.442,113 0.924,114 -5.82,115 -5.68,116 -5.29,119 44.9,120 2,122 1,125 1,142 6,143 2,144 2,146 2,151 2,152 2,162 2,163 1,164 1,165 1,172 8,174 2,175 6,177 2,178 2,183 6,188 11,196 3,200 9,205 2,208 7,210 2,212 1,213 4,218 4,221 13,223 4,224 2,225 1,233 9,237 1,238 5,240 1,241 1,246 2,250 8,252 1,253 1,255 1,258 1,260 1,264 4,269 3,272 5,274 3,276 1424,277 20.102,278 20.102,279 20.102,280 20.102,281 20.102,282 17.197,283 9.117,284 11.491,285 20.759,286 16.802,287 16.802,288 16.802,289 16.802,290 16.802,291 12.352,292 4.86,293 5.485,294 17.974,295 3.927,296 1.633,297 0.878,298 0.602,299 0.602,300 0.602,301 4.146,306 1,307 660,308 3.162,311 186.88,312 143.894,314 102.767,315 105.934,319 1.333,320 35.432,323 0.75,324 0.83,325 1,326 0.6,327 0.5,328 1,329 1,330 0.81,331 65.5,332 300,333 4.775,334 3.417,335 7.033,336 4.307,337 3.358,338 4.743,340 12.106,341 3.197,342 4.642,343 3.269,344 6.822,345 4.141,346 3.207,347 4.594,349 11.29,350 3.003,351 4.062,352 2.907,353 5.998,354 3.604,355 2.644,356 3.698,358 8.453,359 2.539,360 3.918,361 2.833,362 5.91,363 3.484,364 2.555,365 3.433,367 8.141,368 2.363,369 3.69,370 2.501,371 5.672,372 3.238,373 2.31,374 3.13,376 7.393,377 2.139,378 3.526,379 2.326,380 5.046,381 3.126,382 2.174,383 2.89,385 6.042,386 2.044,387 3.173,388 2.148,389 4.982,390 3.01,391 2.045,392 2.446,394 5.328,395 1.951,396 3.13,397 1.886,398 4.698,399 2.687,400 1.752,401 2.176,403 5.095,404 1.631,405 2.904,406 1.486,407 4.621,408 2.353,409 1.414,410 2.097,412 4.403,413 1.318,414 2.884,415 1.442,416 4.41,417 2.309,418 1.412,419 2.051,421 3.995,422 1.251,423 2.5,424 1.326,425 4.08,426 2.002,427 1.097,428 1.5,430 3.086,431 1,432 2.45,433 1,434 3.444,435 2,436 1,437 1.431,439 2.275,440 0.983,441 2.418,442 0.985,443 3.414,444 1.842,445 0.952,446 1.386,448 2.253,449 0.829,450 1.724,451 0.517,452 3.335,453 1.23,454 0.329,455 0.434,457 0.918,458 0.292,459 1.35,460 0.356,461 2.871,462 0.95,463 0.057,464 0.072,466 0.15,467 0.05,468 14.405,469 0.48,470 0.925,471 0.031,472 40.75,473 1.358,474 20.5,475 0.683,476 20.25,477 0.675,478 26.522,479 0.884,480 31.195,481 0.637,482 31.451,483 1.048,484 7.66,485 0.255,486 6.759,487 0.225,488 0.137,490 0.437,494 2,496 0.646,497 1.028,498 0.668,499 0.878,500 0.593,501 0.828,502 0.6,503 0.95,504 0.71,505 0.931,506 0.502,507 0.809,508 0.946,509 1.054,510 0.846,511 0.932,512 0.861,513 0.947,514 0.897,515 0.797,516 0.708,517 0.645,518 0.777,519 0.726,520 0.708,521 0.878,522 0.83,523 0.9,524 0.667,525 0.967,526 1.057,527 1.01,528 1.288,529 1.168,530 1.112,531 1.167,532 0.885,533 1.092,534 0.831,535 1.036,536 0.946,537 0.898,538 1.704,539 1.33,540 1.106,541 1.047,542 1.736,543 1.057,544 6.5,545 0.169,546 3.778,547 2.708,548 2.322,549 1.213,550 0.888,551 0.821,552 0.441,553 0.326,554 10745,555 31960,556 2.124,557 38.8,558 6,559 8,560 2,562 2,564 1,567 1.736,568 1.957,569 3.279,570 0.243,577 82.693,578 1.688,579 3.981,580 4.737,581 5.012,582 5.012,583 5.012,584 2.698,585 4.574,586 4.877,587 3.411,588 1483.97,589 8.554,590 19562.6,595 275.121,596 1.482,597 4.825,598 0.191,599 0.009,600 0.074,601 0.053,602 0.046,603 0.022,604 0.018,605 0.017,606 0.012,607 0.012,608 0.455,609 0.17,610 0.75,611 0.922,612 150.196,613 -0.056,614 -0.096,615 0.05,616 0.021,617 -0.075,618 0.033,619 0.087,620 -0.029,621 0.139,622 0.008,623 0.076,624 0.097,625 -0.051,626 -0.082,627 -0.018,628 -0.031,629 -0.01,630 -0.021,631 -0.056,632 0.087,633 0.124,634 0.214,635 -0.022,636 0.228,637 0.037,638 0.04,639 0.005,640 0.017,641 0.032,642 -0.044,643 -0.056,644 0.023,645 -0.239,646 -0.134,647 -0.105,648 -0.217,649 0.114,650 -0.124,651 0.233,652 -0.001,653 0.065,654 0.133,655 -0.228,656 -0.099,657 -0.094,658 -0.068,659 -0.172,660 -0.13,661 2.105,662 7.074,663 0.767,664 25.102,665 1.014,666 1.131,667 4.588,668 21.051,669 0.707,670 3.555,671 3.951,672 4.29,673 4.663,674 4.934,675 5.124,676 5.347,677 5.537,678 5.673,679 5.765,680 5.944,681 0.679,682 423.53,683 3.555,684 5.142,685 6.033,686 6.959,687 7.877,688 8.809,689 9.738,690 10.674,691 11.607,692 12.546,693 10.2,697 1,701 2,703 2,708 3,709 8,710 2,713 1,714 7,715 1,716 25,727 1,734 2,735 49,737 25,738 2,739 34,741 53,742 22,743 18,744 6,745 6,748 5,749 7,754 2,762 18,763 4,764 1,781 2,783 19,784 5,785 2,786 8,787 1,789 2,792 5,797 0.6,815 3,816 2,818 1,819 1,843 3,845 1,847 2,849 2,851 30,852 1,858 1,863 1,868 1,873 2,881 15.333,882 9.586,883 6.333,884 2.964,886 4.924,887 1.592,888 1.058,889 4.681,890 13.239,891 3.861,892 4.593,893 5.305,894 6.031,895 6.613,896 7.124,897 7.686,898 8.203,899 8.673,900 9.105,901 0.857,902 51,903 11.149,905 4.982,906 7.878,907 21.014,909 17.9,911 2.378,912 71.333,916 200.109,917 160.902,918 69.654,921 29.92,922 31.278,923 129.624,924 200.109,925 99.574,926 17.65,927 2.106,928 106.451,929 33.571,930 34.599,931 58.363,932 207.844,934 200.109,935 199.278,936 29.92,937 31.278,939 218.258,940 11.771,943 29.742,944 135.965,945 33.571,946 31.278,947 230.029,948 69.654,949 160.902,952 200.109,953 69.697,954 94.39,956 96.388,957 200.109,958 99.574,959 160.902,961 0.597,962 0.35,963 0.202,964 0.12,965 28,966 13,967 0.075,968 4,969 2,970 1.174,971 3.966,972 296.881,973 0.174,974 23,975 139.207,977 1,981 19.347,982 7.258,983 3.261,984 1.678,985 96.388,986 13.347,987 8.959,990 1.485,991 2.377,992 1.843,993 32.897,994 460.585,995 46.5,1007 49.68,1008 55.413,1009 0.301,1010 0.709,1011 0.844,1012 0.893,1013 0.893,1014 0.893,1015 5.125,1016 1.752,1017 6.057,1018 5.328,1019 4.635,1020 5.281,1022 6.95,1023 4.51,1024 6.389,1025 1.414,1026 7.664,1027 5.095,1028 4.369,1029 5.278,1031 7.987,1032 4.182,1033 7.739,1034 1.412,1035 9.37,1036 4.403,1037 6.304,1038 7.647,1040 11.151,1041 6.074,1042 9.129,1043 1.097,1044 11.134,1045 3.995,1046 6.847,1047 8.493,1049 13.04,1050 6.547,1051 10.552,1052 1,1053 12.936,1054 3.086,1055 8.29,1056 10.344,1058 15.736,1059 7.954,1060 12,1061 0.952,1062 14.766,1063 2.275,1064 9.195,1065 11.577,1067 17.975,1068 8.79,1069 13.469,1070 0.329,1071 16.616,1072 2.253,1073 10.463,1074 13.231,1076 20.518,1077 10.02,1078 3.358,1079 0.057,1080 18.482,1081 0.918,1082 11.529,1083 14.638,1085 22.899,1086 11.022,1087 3.207,1088 12.106,1089 20.361,1090 0.15,1091 12.739,1092 16.219,1094 25.392,1095 12.188,1096 2.644,1097 11.29,1098 22.25,1099 4.743,1100 13.875,1101 17.702,1103 27.828,1104 13.266,1105 2.555,1106 8.453,1107 24.148,1108 4.594,1109 15.068,1110 19.256,1112 30.307,1113 14.412,1114 2.31,1115 8.141,1116 26.053,1117 3.698,1118 16.236,1119 20.773,1121 32.766,1122 15.524,1123 2.174,1124 7.393,1125 27.963,1126 3.433,1127 17.426,1128 22.319,1130 35.242,1131 16.665,1132 2.045,1133 6.042,1134 29.878,1135 3.13,1136 18.608,1137 23.85,1139 37.711,1140 17.795,1141 10145,1142 17693,1143 22.6,1144 34.642,1145 53.297,1146 53.622,1147 54.93,1148 52.594,1149 52.612,1150 72.162,1152 161.854,1153 49.181,1154 5.545,1155 5.417,1156 6.522,1157 5.451,1158 5.358,1159 7.743,1161 19.466,1162 5.197,1163 16.015,1164 1.568,1165 1.577,1166 1.616,1167 1.547,1168 1.547,1169 2.122,1171 4.76,1172 1.447,1173 4.202,1174 4.237,1175 4.363,1176 4.104,1177 8.203,1178 4.104,1179 4.045,1180 4.087,1181 4.094,1182 3.925,1183 8.2,1184 3.929,1185 3.847,1186 3.875,1187 3.847,1188 3.786,1189 5.202,1190 3.767,1191 3.665,1192 3.727,1193 3.562,1194 3.547,1195 5.032,1196 3.529,1197 3.401,1198 3.463,1199 3.399,1200 3.271,1201 4.647,1202 3.26,1203 3.165,1204 3.202,1205 3.202,1206 3.04,1207 4.592,1208 3.043,1209 2.965,1210 3.048,1211 2.911,1212 2.777,1213 4.226,1214 2.796,1215 2.874,1216 3.009,1217 2.781,1218 2.735,1219 4.105,1220 2.715,1221 0.14,1222 0.1,1223 0.207,1224 0.127,1225 0.099,1226 4.775,1227 0.139,1228 3.417,1230 7.033,1231 0.356,1232 4.307,1233 0.094,1234 3.358,1235 4.743,1237 12.106,1238 3.197,1239 1.971,1240 1.949,1241 2.043,1242 2.07,1243 1.286,1244 2.061,1245 1.874,1246 1.849,1247 1.989,1248 1.975,1249 1.16,1250 1.979,1251 1.724,1252 1.661,1253 1.921,1254 1.9,1255 1.05,1256 1.907,1257 1.513,1258 1.464,1259 1.611,1260 1.721,1261 0.748,1262 1.688,1263 1.373,1264 1.364,1265 1.544,1266 1.661,1267 0.611,1268 1.642,1269 1.361,1270 1.293,1271 1.417,1272 1.445,1273 0.539,1274 1.464,1275 1.171,1276 1.141,1277 1.279,1278 1.266,1279 0.469,1280 1.308,1281 0.934,1282 0.827,1283 1.221,1284 1.239,1285 0.353,1286 1.298,1287 4.234,1289 5.609,1290 3.434,1291 7.165,1292 5.861,1293 8.812,1294 8.009,1295 10.514,1297 4.147,1299 28.528,1301 6.082,1303 0.635,1308 0.324,1314 33.275,1315 82.693,1316 195.082,1317 232.101,1318 245.611,1319 245.611,1320 245.611,1321 54.511,1322 8.315,1323 61.14,1324 89.38,1325 27,1326 13.043,1327 4.7,1328 3.755,1329 41.248,1330 105,1331 120,1332 0.193,1333 203.06,1334 332.11,1335 487.226,1336 47087,1337 4.1,1338 20.991,1339 0.7,1340 0.575,1341 19.604,1342 17.25,1343 14.419,1344 0.424,1345 0.308,1346 9.53,1347 13.396,1348 9.198,1349 7.635,1350 14.068,1351 10.472,1352 13.895,1353 0.272,1354 0.168,1355 13.317,1356 8.545,1357 11.691,1358 0.162,1359 0.08,1360 11.493,1361 5.795,1362 10.495,1363 0.1,1364 0.043,1365 10.659,1366 4.478,1367 8.904,1368 0.065,1369 0.023,1370 8.937,1371 3.135,1372 0.292,1373 94.966,1374 0.21,1375 27.506,1376 0.564,1377 170,1378 564.975,1379 211.908,1380 524.564,1381 720.54,1382 490,1383 208,1384 530.94,1385 245.862,1386 541.083,1387 807.35,1388 510,1389 5.1}
{0 CHEMBL2004438,1 1.757,2 13.419,3 3.701,4 13.699,5 109.694,6 9.009,7 0.676,8 3.985,9 4.098,10 3.688,11 3.543,12 5.276,13 3.568,14 4.472,15 4.6,16 4.132,17 3.912,18 6.194,19 3.928,20 4.68,21 4.85,22 4.129,23 4.033,24 6.013,25 4.028,26 4.763,27 4.96,28 4.071,29 3.981,30 6.131,31 3.971,32 4.73,33 4.938,34 3.964,35 3.888,36 6.123,37 3.867,38 4.623,39 4.86,40 3.735,41 3.75,42 5.858,43 3.709,44 4.412,45 4.614,46 3.773,47 3.634,48 6.06,49 3.604,50 4.309,51 4.515,52 3.553,53 3.573,54 5.542,55 3.53,56 0.195,57 0.941,58 6.123,59 3.81,60 31.458,61 3.867,62 0.863,63 1.807,64 12.012,65 6.506,66 136.417,67 6.822,68 0.534,69 1.673,70 16.68,71 7.937,72 61.484,73 8.86,74 0.751,75 1.769,76 21.509,77 8.948,78 102.472,79 9.85,80 0.874,81 1.598,82 22.09,83 8.175,84 103.193,85 9.308,86 0.782,87 1.342,88 23.06,89 8.026,90 125.834,91 9.468,92 0.878,93 1.144,94 16.26,95 6.114,96 133.475,97 7.642,98 0.45,99 1.067,100 13.975,101 5.957,102 60.504,103 6.916,104 27,105 49,106 0.295,107 0.561,108 0.712,109 0.83,110 0.864,111 0.878,112 3.471,113 0.808,114 -4.69,115 -4.61,116 -4.33,119 46.8,132 1,142 10,143 3,144 3,145 2,146 2,159 1,163 1,164 1,165 1,172 11,175 1,178 2,179 1,180 5,183 12,185 1,187 1,188 3,190 1,191 1,193 6,196 9,198 2,200 7,202 1,203 1,205 9,208 4,210 3,213 7,218 7,221 2,223 2,225 6,230 3,233 4,238 3,242 1,243 2,245 1,246 8,250 1,253 1,255 1,258 8,264 1,266 1,267 2,268 1,269 1,271 1,272 6,276 1585,277 20.488,278 20.488,279 20.488,280 20.488,281 20.488,282 17.648,283 19.34,284 11.899,285 20.973,286 16.79,287 16.79,288 16.79,289 16.79,290 16.79,291 12.548,292 26.901,293 5.652,294 17.656,295 3.797,296 2.207,297 1.308,298 0.601,299 0.399,300 0.314,301 4.165,305 1,306 1,307 900,308 3.873,312 403.508,316 157.852,319 2.185,320 48.723,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 70,332 416,333 4.597,334 4.46,335 7.116,336 4.18,337 3.32,338 4.521,339 3.825,340 11.69,341 3.112,342 4.453,343 3.562,344 6.738,345 4.152,346 3.171,347 3.87,348 1.656,349 10.897,350 2.898,351 4.131,352 3.2,353 6.078,354 3.709,355 2.737,356 3.77,357 0.247,358 8.751,359 2.66,360 3.912,361 2.712,362 5.582,363 3.564,364 2.603,365 3.27,367 7.676,368 2.477,369 3.746,370 2.586,371 5.363,372 3.348,373 2.388,374 3.115,376 7.023,377 2.272,378 3.431,379 2.408,380 5.056,381 2.984,382 2.004,383 2.713,385 5.663,386 1.943,387 3.266,388 1.948,389 4.732,390 2.803,391 1.835,392 2.554,394 5.173,395 1.77,396 3.061,397 1.843,398 4.448,399 2.55,400 1.587,401 2.311,403 4.273,404 1.526,405 2.874,406 1.601,407 4.362,408 2.431,409 1.476,410 1.998,412 4.033,413 1.382,414 2.785,415 1.322,416 3.639,417 2.271,418 1.295,419 1.912,421 2.968,422 1.261,423 2.57,424 1.189,425 3.489,426 2.092,427 1.111,428 1.6,430 2.536,431 1.078,432 2.5,433 1,434 3.463,435 2,436 1,437 1.5,439 2.275,440 1,441 2.332,442 0.929,443 3.414,444 1.803,445 0.877,446 1.257,448 2.068,449 0.811,450 1.501,451 0.664,452 3.022,453 1.178,454 0.215,455 0.261,457 0.538,458 0.206,459 1.204,460 0.51,461 2.835,462 0.883,463 -0.069,464 -0.083,466 -0.184,467 -0.065,468 14.19,469 0.458,470 0.949,471 0.031,472 45.25,473 1.46,474 25,475 0.806,476 20.25,477 0.653,478 20.684,479 0.667,480 32.61,481 0.694,482 37.613,483 1.213,484 9.294,485 0.3,486 5.515,487 0.178,488 0.112,489 0.035,490 0.317,493 3,496 0.638,497 0.923,498 0.631,499 0.868,500 0.635,501 0.771,502 0.393,503 0.807,504 0.666,505 0.973,506 0.39,507 0.953,508 0.692,509 0.917,510 0.876,511 1.046,512 0.608,513 1.038,514 1.006,515 1.058,516 1.069,517 1.121,518 0.951,519 1.116,520 0.929,521 0.818,522 1.114,523 1.016,524 0.978,525 1.101,526 1.023,527 0.82,528 1.079,529 0.879,530 1.044,531 0.957,532 0.38,533 0.601,534 0.798,535 0.853,536 0.395,537 0.961,538 0.804,539 0.856,540 1.041,541 1.051,542 0.789,543 1.114,544 7.5,545 0.173,546 3.778,547 2.5,548 1.849,549 1.125,550 0.667,551 0.255,552 0.369,553 0.238,554 14540,555 52644,556 2.057,557 34,559 10,561 2,562 4,567 1.73,568 1.908,569 3.689,570 1.632,572 1,577 82.594,578 1.757,579 3.347,580 4.246,581 4.953,582 5.156,583 5.241,584 3.127,585 4.518,586 4.929,587 3.903,588 1814.98,589 8.569,590 27113,592 1,594 1,595 261.066,596 1.595,597 4.87,598 0.221,599 0.007,600 0.077,601 0.05,602 0.041,603 0.029,604 0.021,605 0.008,606 0.014,607 0.009,608 0.476,609 0.17,610 1,611 0.744,612 164.333,613 -0.084,614 -0.023,615 -0.007,616 0.066,617 -0.129,618 0.075,619 0.433,620 0.226,621 0.079,622 -0.009,623 0.405,624 -0.087,625 -0.053,626 -0.107,627 -0.059,628 -0.111,629 -0.005,630 -0.096,631 -0.129,632 -0.136,633 -0.117,634 -0.152,635 -0.084,636 -0.132,637 -0.054,638 0.007,639 -0.125,640 -0.071,641 -0.087,642 -0.111,643 -0.143,644 -0.011,646 0.107,647 -0.147,648 0.12,649 0.438,650 0.209,651 0.182,652 0.107,653 0.415,654 0.052,655 -0.066,656 -0.02,657 -0.094,658 -0.066,659 -0.08,660 -0.08,661 5.736,662 5.16,663 0.71,664 33.101,665 1.033,666 1.141,667 3.464,668 11.996,669 0.694,670 3.555,671 3.912,672 4.143,673 4.382,674 4.605,675 4.625,676 4.779,677 4.804,678 4.913,679 4.92,680 8.03,681 0.695,682 423.43,683 3.555,684 5.118,685 5.964,686 6.851,687 7.712,688 8.599,689 9.466,690 10.352,691 11.224,692 12.109,693 10.6,697 1,700 2,703 2,708 2,709 12,710 2,714 6,716 23,727 1,735 47,737 24,738 3,739 34,741 50,742 22,743 20,744 8,745 10,748 4,749 5,753 1,754 1,759 1,762 21,763 1,767 1,772 1,776 1,780 1,781 3,783 16,784 9,785 4,786 9,792 5,797 0.75,798 1,806 1,816 4,820 1,843 3,849 3,851 31,852 1,860 2,865 1,873 3,874 2.1,877 1,881 16.25,882 8.329,883 6.611,884 2.528,886 4.447,887 1.564,888 1.034,889 5.493,890 12.331,891 3.861,892 4.505,893 5.094,894 5.7,895 6.284,896 6.547,897 7.002,898 7.378,899 7.788,900 8.024,901 0.889,902 50,903 11.874,905 5.598,906 8.282,907 20.709,909 16.869,911 2.782,912 86.25,915 1,916 141.253,917 147.008,918 102.49,920 25.145,921 44.88,923 147.008,924 166.398,925 147.37,927 36.022,928 127.66,929 82.258,930 85.09,931 4.276,932 117.711,933 7.76,934 141.253,935 249.498,936 70.025,939 141.253,940 70.025,943 66.164,944 149.762,945 33.571,947 186.134,948 127.635,949 147.008,952 149.013,953 26.391,954 112.857,955 36.022,956 136.494,957 141.253,958 172.515,959 147.008,961 0.594,962 0.337,963 0.177,964 0.096,965 24,966 11,967 0.06,968 3,969 1,970 1.091,971 4.253,972 274.206,973 0.091,974 22,975 144.825,981 20.641,982 8.249,983 4.599,984 1.288,985 172.515,986 18.113,987 8.479,991 1.74,993 68.919,994 460.776,995 46.5,1000 12.16,1004 -0.66,1007 48.56,1008 53.626,1009 0.316,1010 0.603,1011 0.764,1012 0.892,1013 0.928,1014 0.943,1015 5.104,1016 1.587,1017 5.989,1018 5.173,1019 4.595,1020 5.193,1021 3.244,1022 6.832,1023 4.502,1024 6.347,1025 1.476,1026 7.577,1027 4.273,1028 4.369,1029 5.066,1030 3.949,1031 7.964,1032 4.139,1033 7.676,1034 1.295,1035 9.275,1036 4.033,1037 6.267,1038 7.442,1039 5.464,1040 10.984,1041 6.061,1042 9.04,1043 1.111,1044 11.04,1045 2.968,1046 6.825,1047 8.092,1048 6.701,1049 12.915,1050 6.471,1051 10.433,1052 1,1053 12.849,1054 2.536,1055 8.256,1056 9.979,1057 8.065,1058 15.526,1059 7.905,1060 11.848,1061 0.877,1062 14.688,1063 2.275,1064 9.157,1065 11.021,1066 9.391,1067 17.761,1068 8.675,1069 13.279,1070 0.215,1071 16.549,1072 2.068,1073 10.416,1074 12.688,1075 10.736,1076 20.249,1077 9.908,1078 3.32,1079 -0.069,1080 18.427,1081 0.538,1082 11.469,1083 13.941,1084 12.075,1085 22.603,1086 10.852,1087 3.171,1088 11.69,1089 20.318,1090 -0.184,1091 12.667,1092 15.506,1093 13.417,1094 25.053,1095 12.002,1096 2.737,1097 10.897,1098 22.22,1099 4.521,1100 13.788,1101 16.873,1102 14.758,1103 27.455,1104 13.029,1105 2.603,1106 8.751,1107 24.13,1108 3.87,1109 14.967,1110 18.392,1111 16.1,1112 29.895,1113 14.149,1114 2.388,1115 7.676,1116 26.047,1117 3.77,1118 16.119,1119 19.82,1120 17.441,1121 32.318,1122 15.217,1123 2.004,1124 7.023,1125 27.969,1126 3.27,1127 17.294,1128 21.322,1129 18.783,1130 34.757,1131 16.327,1132 1.835,1133 5.663,1134 29.896,1135 3.115,1136 18.461,1137 22.783,1138 20.124,1139 37.19,1140 17.417,1141 13776,1142 26440,1143 22.364,1144 32.625,1145 52.024,1146 51.968,1147 52.297,1148 51.451,1149 51.239,1150 69.302,1151 11.457,1152 151.127,1153 48.789,1154 5.467,1155 6.46,1156 6.8,1157 5.25,1158 5.32,1159 7.521,1160 5.335,1161 19.097,1162 5.112,1163 16.748,1164 1.53,1165 1.528,1166 1.538,1167 1.513,1168 1.507,1169 2.038,1170 0.337,1171 4.445,1172 1.435,1173 4.09,1174 4.121,1175 4.059,1176 4.012,1177 8.513,1178 4.019,1179 3.947,1180 3.978,1181 3.907,1182 3.856,1183 7.999,1184 3.861,1185 3.855,1186 3.89,1187 3.805,1188 3.766,1189 7.999,1190 3.772,1191 3.491,1192 3.538,1193 3.462,1194 3.3,1195 7.431,1196 3.318,1197 3.382,1198 3.433,1199 3.337,1200 3.137,1201 5.191,1202 3.186,1203 3.261,1204 3.306,1205 3.225,1206 2.977,1207 4.871,1208 3.024,1209 3.089,1210 3.184,1211 2.977,1212 2.88,1213 4.749,1214 2.895,1215 2.897,1216 2.969,1217 2.787,1218 2.752,1219 4.7,1220 2.752,1221 0.135,1222 0.131,1223 0.209,1224 0.123,1225 0.098,1226 4.597,1227 0.133,1228 4.46,1229 0.113,1230 7.116,1231 0.344,1232 4.18,1233 0.092,1234 3.32,1235 4.521,1236 3.825,1237 11.69,1238 3.112,1239 2.038,1240 2.014,1241 2.102,1242 2.135,1243 1.223,1244 2.126,1245 1.906,1246 1.88,1247 2.001,1248 2.021,1249 1.099,1250 2.013,1251 1.834,1252 1.802,1253 1.93,1254 1.945,1255 0.998,1256 1.944,1257 1.403,1258 1.355,1259 1.553,1260 1.631,1261 0.537,1262 1.593,1263 1.258,1264 1.214,1265 1.386,1266 1.523,1267 0.352,1268 1.497,1269 1.075,1270 1.035,1271 1.282,1272 1.4,1273 0.263,1274 1.326,1275 1.027,1276 0.953,1277 1.205,1278 1.325,1279 0.218,1280 1.318,1281 0.886,1282 0.821,1283 1.181,1284 1.087,1285 0.218,1286 1.107,1287 4.234,1289 5.58,1291 7.117,1293 8.739,1295 10.404,1299 38.4,1301 6.236,1305 4.98,1310 -4.486,1314 32.659,1315 82.594,1316 157.317,1317 199.582,1318 232.801,1319 242.311,1320 246.311,1321 66.88,1322 7.884,1323 92.93,1324 92.93,1325 24,1326 12.644,1327 4.644,1328 3.755,1329 49.861,1330 153,1331 121,1332 0.158,1333 198.662,1334 346.44,1335 476.495,1336 32825,1337 6.4,1338 22.01,1339 0.71,1340 0.514,1341 19.51,1342 15.942,1343 14.809,1344 0.436,1345 0.269,1346 8.995,1347 14.145,1348 8.883,1349 7.326,1350 13.597,1351 9.16,1352 14.262,1353 0.291,1354 0.136,1355 12.304,1356 6.686,1357 11.165,1358 0.18,1359 0.074,1360 10.203,1361 4.581,1362 9.317,1363 0.118,1364 0.039,1365 8.799,1366 3.109,1367 7.527,1368 0.076,1369 0.021,1370 6.887,1371 2.055,1372 0.257,1373 93.693,1374 0.211,1375 29.673,1376 0.411,1377 166,1378 681.337,1379 193.973,1380 586.047,1381 772.22,1382 542,1383 194,1384 549.918,1385 214.88,1386 540.683,1387 807.07,1388 508,1389 5.1}
{0 CHEMBL2004447,1 1.648,2 6.522,3 3.742,4 14.006,5 85.929,6 7.809,7 0.44,8 3.797,9 3.92,10 3.393,11 3.338,12 5.026,13 3.331,14 4.309,15 4.473,16 3.811,17 3.76,18 5.449,19 3.739,20 4.581,21 4.738,22 3.944,23 3.949,24 5.749,25 3.909,26 4.835,27 5.083,28 4.013,29 4.007,30 6.022,31 3.963,32 4.741,33 4.953,34 4.011,35 3.969,36 5.988,37 3.94,38 4.709,39 4.906,40 3.955,41 3.861,42 6.189,43 3.833,44 4.565,45 4.793,46 3.458,47 3.674,48 5.851,49 3.562,50 4.465,51 4.783,52 2.345,53 3.243,54 5.621,55 3.001,56 0.084,57 0.669,58 7.52,59 3.558,60 13.294,61 4.362,62 0.2,63 1.051,64 14.207,65 6.275,66 27.419,67 8.084,68 0.217,69 1.382,70 18.471,71 8.117,72 35.906,73 10.154,74 0.57,75 1.631,76 29.153,77 9.251,78 88.572,79 12.625,80 0.346,81 1.561,82 24.216,83 8.339,84 61.594,85 11.043,86 0.846,87 1.502,88 24.539,89 7.678,90 117.079,91 9.886,92 0.326,93 1.257,94 20.96,95 7.343,96 59.825,97 9.638,98 0.621,99 0.975,100 23.471,101 6.063,102 120.966,103 8.148,104 41,105 38,106 0.291,107 0.672,108 0.74,109 0.776,110 0.785,111 0.785,112 3.191,113 0.87,114 -4.27,115 -4.21,116 -3.98,119 42.5,120 3,122 1,123 1,136 1,139 1,142 4,143 2,144 1,147 1,152 1,158 1,163 1,164 1,165 1,168 1,172 10,174 1,175 4,177 1,178 1,180 3,183 12,185 1,188 4,191 1,193 5,196 10,198 1,199 1,200 9,202 2,203 2,205 4,208 10,210 2,213 6,217 1,218 2,220 1,221 9,223 1,224 1,225 7,228 1,230 5,233 5,235 3,238 6,243 5,246 7,248 4,258 3,276 694,277 14.963,278 14.963,279 14.963,280 14.963,281 14.963,282 13.196,283 17.673,284 8.439,285 15.234,286 12.255,287 12.255,288 12.255,289 12.255,290 12.255,291 9.55,292 19.707,293 3.867,294 12.733,295 3.674,296 1.518,297 1.132,298 0.932,299 0.882,300 0.882,301 3.859,304 1,305 1,306 1,307 312,308 3.317,311 45.816,312 114.26,315 84.021,319 0.888,320 30.747,321 1,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 50.5,332 150,333 4.739,334 4.16,335 7.399,336 4.484,337 3.5,338 4.311,339 2.278,340 13.133,341 3.445,342 4.357,343 3.753,344 6.898,345 4.127,346 3.142,347 3.827,348 1.248,349 11.275,350 3.096,351 4.077,352 3.43,353 6.076,354 3.63,355 2.683,356 3.544,357 1.041,358 8.637,359 2.534,360 3.824,361 3.079,362 5.927,363 3.396,364 2.431,365 3.035,367 8.031,368 2.343,369 3.26,370 2.6,371 5.18,372 2.881,373 1.96,374 2.311,376 5.939,377 1.792,378 3.147,379 2.569,380 4.578,381 2.386,382 1.414,383 2.017,385 4.11,386 1.365,387 2.861,388 1.722,389 4.097,390 2.348,391 1.396,392 1.857,394 3.22,395 1.316,396 2.709,397 1.495,398 3.868,399 2.127,400 1.16,401 1.608,403 2.905,404 1.119,405 2.578,406 1.317,407 3.609,408 2.005,409 1.063,410 1.514,412 2.618,413 0.996,414 2.101,415 1.193,416 3.322,417 1.477,418 0.511,419 0.77,421 1.044,422 0.491,423 1.311,424 0.577,425 2.926,426 0.788,427 -0.122,428 -0.161,430 -0.242,431 -0.108,432 0.893,433 0.284,434 2.53,435 0.576,436 -0.335,437 -0.392,439 -0.762,440 -0.302,441 0.789,442 0.027,443 2.345,444 0.377,445 -0.541,446 -0.741,448 -1.339,449 -0.488,450 0.538,451 -0.561,452 2.25,453 0.093,454 -0.886,455 -1,457 -2.246,458 -0.862,459 0.104,460 -0.688,461 2,463 -1,464 -1,466 -3,467 -1,468 10.719,469 0.466,470 0.83,471 0.036,472 28.75,473 1.25,474 14.5,475 0.63,476 14.25,477 0.62,478 21.338,479 0.928,480 24.681,481 0.617,482 21.477,483 0.934,484 5.44,485 0.237,486 5.402,487 0.235,488 0.241,489 0.047,490 0.373,494 1,496 0.706,497 0.932,498 0.745,499 0.964,500 0.619,501 0.879,502 0.571,503 0.923,504 0.59,505 0.898,506 0.46,507 0.785,508 0.883,509 1.294,510 0.972,511 1.325,512 0.776,513 1.215,514 1.014,515 0.889,516 0.835,517 0.741,518 0.898,519 0.737,520 1.023,521 1.15,522 0.922,523 1.054,524 0.96,525 0.971,526 1.206,527 0.929,528 1.092,529 0.982,530 0.93,531 1.025,532 1.197,533 1.398,534 1.399,535 1.457,536 1.366,537 1.474,538 1.82,539 0.918,540 1.778,541 0.968,542 2.465,543 1.259,544 5.5,546 3.333,547 2.34,548 2.423,549 1.479,550 1.015,551 0.183,552 0.061,554 4224,555 12807,556 1.981,557 42.5,558 10,559 4,562 3,567 1.672,568 1.781,569 2.703,570 1.032,572 1,574 1,577 65.903,578 1.648,579 3.804,580 4.19,581 4.39,582 4.44,583 4.44,584 2.054,585 4.143,586 4.498,587 2.824,588 714.561,589 7.82,590 7929.43,591 1,592 1,593 1,594 1,595 212.877,596 1.762,597 4.403,598 0.22,600 0.088,601 0.057,602 0.055,603 0.034,604 0.027,605 0.009,606 0.02,608 0.51,609 0.33,610 1,611 1.009,612 102.611,613 -0.029,614 0.108,615 0.021,616 0.07,617 -0.054,618 0.064,619 0.147,620 0.038,621 0.253,622 0.151,623 0.101,624 0.21,625 -0.017,626 -0.274,627 -0.118,628 -0.286,629 -0.054,630 -0.244,631 -0.035,632 0.081,633 0.164,634 0.209,635 0.03,636 0.231,637 -0.075,638 -0.148,639 0.019,640 -0.098,641 -0.02,642 -0.028,643 0.174,644 0.11,645 -0.091,646 -0.043,647 0.243,648 -0.127,649 -0.182,650 -0.353,651 -0.433,652 -0.486,653 -0.155,654 -0.514,655 -0.433,656 0.222,657 -0.629,658 -0.059,659 -0.594,660 -0.305,661 2.063,662 6.395,663 0.652,664 13.69,665 1.011,666 1.136,667 3.045,668 9.27,669 0.669,670 3.258,671 3.664,672 3.97,673 4.317,674 4.595,675 4.745,676 4.796,677 4.796,678 4.745,679 4.691,680 4.407,681 0.647,682 312.38,683 3.258,684 4.844,685 5.727,686 6.663,687 7.577,688 8.519,689 9.444,690 10.387,691 11.317,692 12.26,693 10,694 1,701 1,702 1,703 1,709 4,710 1,711 1,714 5,716 11,733 1,734 1,735 40,737 13,738 1,739 25,741 42,742 17,743 9,744 2,745 4,748 3,749 4,754 3,755 1,758 1,761 1,762 11,763 5,764 1,767 1,776 2,780 1,781 1,783 17,784 5,785 3,786 6,792 4,797 0.667,798 1,807 1,815 1,816 2,819 1,825 1,835 1,836 1,843 2,847 3,849 1,851 23,852 1,861 1,863 1,865 1,866 1,870 1,872 1,873 1,874 2.5,879 1,881 12.917,882 8.21,883 4.944,884 2.29,886 2.529,887 1.36,888 0.959,889 3.657,890 9.563,891 3.541,892 4.155,893 4.746,894 5.346,895 5.825,896 6.181,897 6.515,898 6.844,899 7.091,900 7.267,901 1,902 41,903 8.518,905 3.757,906 8.011,907 15.771,909 13.138,911 2.511,912 57.75,915 1,916 164.795,917 112.046,918 97.283,920 11,921 14.96,923 112.046,924 175.795,925 112.243,926 26.476,927 32.897,928 37.905,929 33.265,930 82.215,931 22.531,932 164.795,934 164.795,935 209.329,936 25.96,939 179.756,940 11,943 107.095,944 85.57,945 16.663,947 179.756,948 108.282,949 112.046,952 164.795,953 31.064,954 64.381,955 33.265,956 106.58,957 164.795,958 123.243,959 112.046,961 0.6,962 0.358,963 0.205,964 0.12,965 20,966 10,967 0.048,968 2,969 1,970 1.133,971 3.177,972 200.115,973 0.133,974 15,975 99.287,981 15.579,982 5.399,983 2.495,985 106.58,986 6.361,987 4.154,988 2.951,991 1.726,993 49.56,994 400.084,995 33.5,1004 0.148,1007 40.432,1008 45.449,1009 0.31,1010 0.715,1011 0.787,1012 0.825,1013 0.834,1014 0.834,1015 4.842,1016 1.16,1017 5.796,1018 3.22,1019 4.344,1020 4.84,1021 2.759,1022 6.744,1023 4.273,1024 6.112,1025 1.063,1026 7.451,1027 2.905,1028 4.29,1029 4.808,1030 1.06,1031 8.065,1032 4.208,1033 7.471,1034 0.511,1035 9.217,1036 2.618,1037 6.116,1038 7.07,1039 4.07,1040 11.169,1041 6.005,1042 8.865,1043 -0.122,1044 11.047,1045 1.044,1046 6.836,1047 7.819,1048 2.057,1049 13.253,1050 6.722,1051 10.288,1052 -0.335,1053 12.917,1054 -0.242,1055 8.236,1056 9.594,1057 5.62,1058 15.966,1059 8.101,1060 11.734,1061 -0.541,1062 14.812,1063 -0.762,1064 9.259,1065 10.695,1066 3.537,1067 18.334,1068 9.119,1069 13.196,1070 -0.886,1071 16.727,1072 -1.339,1073 10.527,1074 12.273,1075 7.233,1076 20.932,1077 10.372,1078 3.5,1079 -1,1080 18.655,1081 -2.246,1082 11.671,1083 13.543,1084 5.286,1085 23.412,1086 11.507,1087 3.142,1088 13.133,1089 20.593,1090 -3,1091 12.903,1092 15.037,1093 8.862,1094 25.977,1095 12.725,1096 2.683,1097 11.275,1098 22.54,1099 4.311,1100 14.096,1101 16.391,1102 7.087,1103 28.504,1104 13.907,1105 2.431,1106 8.637,1107 24.494,1108 3.827,1109 15.321,1110 17.851,1111 10.494,1112 31.062,1113 15.119,1114 1.96,1115 8.031,1116 26.454,1117 3.544,1118 16.536,1119 19.248,1120 8.88,1121 33.609,1122 16.322,1123 1.414,1124 5.939,1125 28.418,1126 3.035,1127 17.764,1128 20.696,1129 12.128,1130 36.168,1131 17.536,1132 1.396,1133 4.11,1134 30.387,1135 2.311,1136 18.991,1137 22.116,1138 10.654,1139 38.725,1140 18.749,1141 4308,1142 7621,1143 15.72,1144 26.745,1145 40.506,1146 42.025,1147 41.105,1148 38.603,1149 38.522,1150 49.586,1151 9.135,1152 121.824,1153 36.995,1154 5.583,1155 6.16,1156 7.083,1157 5.583,1158 5.5,1159 7.311,1160 4.525,1161 21.079,1162 5.445,1163 13.914,1164 1.62,1165 1.681,1166 1.644,1167 1.544,1168 1.541,1169 1.983,1170 0.365,1171 4.873,1172 1.48,1173 4.08,1174 4.113,1175 4.049,1176 3.976,1177 8.201,1178 3.987,1179 3.853,1180 3.891,1181 3.799,1182 3.751,1183 6.82,1184 3.756,1185 3.648,1186 3.693,1187 3.575,1188 3.522,1189 5.177,1190 3.527,1191 3.429,1192 3.508,1193 3.325,1194 3.229,1195 4.926,1196 3.248,1197 3.012,1198 3.103,1199 2.912,1200 2.822,1201 4.634,1202 2.83,1203 2.947,1204 3.015,1205 2.884,1206 2.733,1207 4.283,1208 2.734,1209 2.894,1210 3.009,1211 2.798,1212 2.64,1213 4.099,1214 2.699,1215 2.874,1216 3.009,1217 2.499,1218 2.618,1219 3.764,1220 2.57,1221 0.19,1222 0.166,1223 0.296,1224 0.179,1225 0.14,1226 4.739,1227 0.172,1228 4.16,1229 0.091,1230 7.399,1231 0.525,1232 4.484,1233 0.138,1234 3.5,1235 4.311,1236 2.278,1237 13.133,1238 3.445,1239 1.959,1240 1.94,1241 2.051,1242 2.044,1243 1.298,1244 2.045,1245 1.785,1246 1.744,1247 1.976,1248 1.925,1249 1.151,1250 1.942,1251 1.632,1252 1.6,1253 1.736,1254 1.806,1255 0.852,1256 1.782,1257 1.154,1258 1.109,1259 1.417,1260 1.531,1261 0.469,1262 1.484,1263 1.128,1264 1.036,1265 1.417,1266 1.328,1267 0.469,1268 1.321,1269 0.934,1270 0.821,1271 1.341,1272 1.239,1273 0.311,1274 1.308,1275 0.934,1276 0.804,1277 1.239,1278 1.239,1279 0.186,1280 1.308,1281 0.884,1282 0.804,1283 1.127,1284 1.211,1285 0.102,1286 1.17,1287 3.932,1289 5.313,1290 2.398,1291 6.895,1292 4.727,1293 8.574,1294 6.88,1295 10.307,1297 6.021,1299 14.395,1301 5.859,1306 5.473,1308 -0.641,1310 -0.278,1312 9.52,1313 2.06,1314 25.871,1315 65.903,1316 152.148,1317 167.593,1318 175.593,1319 177.593,1320 177.593,1321 53.722,1322 7.034,1323 87.72,1324 87.72,1325 17,1326 12.756,1327 3.807,1328 3.248,1329 36.199,1330 58,1331 58,1332 0.311,1333 160.612,1334 281.52,1335 383.654,1336 8729,1337 2.5,1338 16.776,1339 0.729,1340 0.572,1341 15.905,1342 13.145,1343 10.842,1344 0.434,1345 0.29,1346 7.149,1347 10.407,1348 6.857,1349 5.753,1350 10.431,1351 7.25,1352 10.675,1353 0.281,1354 0.171,1355 10.148,1356 6.514,1357 8.458,1358 0.163,1359 0.075,1360 7.98,1361 3.905,1362 7.486,1363 0.101,1364 0.038,1365 7.15,1366 2.837,1367 6.116,1368 0.062,1369 0.02,1370 5.858,1371 1.959,1372 0.449,1373 68.282,1374 0.252,1375 21.363,1376 0.991,1377 126,1378 412.782,1379 139.422,1380 380.98,1381 513.85,1382 352,1383 153,1384 383.311,1385 166.945,1386 384.702,1387 563.37,1388 359,1389 5.1}
{0 CHEMBL2004513,1 1.512,2 9.346,3 3.709,4 13.754,5 98.405,6 8.2,7 0.621,8 3.857,9 3.952,10 3.508,11 3.47,12 5.064,13 3.465,14 4.335,15 4.452,16 3.872,17 3.852,18 5.568,19 3.831,20 4.595,21 4.745,22 4.045,23 4.037,24 5.789,25 4.01,26 4.699,27 4.863,28 4.001,29 4.017,30 5.966,31 3.985,32 4.675,33 4.852,34 3.878,35 3.98,36 5.881,37 3.924,38 4.572,39 4.767,40 3.669,41 3.839,42 5.69,43 3.756,44 4.431,45 4.641,46 3.544,47 3.692,48 5.528,49 3.603,50 4.31,51 4.525,52 3.46,53 3.527,54 5.44,55 3.467,56 0.047,57 0.554,58 6.79,59 3.584,60 6.378,61 4.088,62 0.262,63 0.877,64 12.527,65 6.014,66 25.603,67 7.035,68 0.165,69 1.18,70 17.077,71 7.833,72 24.274,73 9.465,74 0.355,75 1.266,76 20.937,77 8.511,78 50.264,79 9.773,80 0.33,81 1.194,82 21.488,83 8.95,84 52.637,85 10.481,86 0.292,87 1.069,88 20.168,89 8.44,90 47.21,91 10.265,92 0.286,93 0.953,94 17.683,95 7.295,96 35.054,97 9.425,98 0.202,99 0.834,100 16.241,101 6.414,102 32.792,103 8.113,104 12,105 41,106 0.26,107 0.52,108 0.663,109 0.802,110 0.868,111 0.901,112 3.305,113 0.844,114 -4.36,115 -4.29,116 -4.05,119 50,124 1,142 11,143 4,144 3,158 2,172 14,174 1,175 3,178 1,180 5,183 16,188 5,192 1,193 7,196 13,200 9,203 1,205 6,208 11,213 9,218 3,221 13,225 4,230 3,233 11,238 4,241 2,243 3,246 8,250 2,255 2,258 7,263 2,264 3,267 2,269 1,272 7,276 852,277 17.87,278 17.87,279 17.87,280 17.87,281 17.87,282 15.522,283 18.227,284 10.459,285 18.107,286 14.253,287 14.253,288 14.253,289 14.253,290 14.253,291 10.589,292 28.306,293 4.862,294 14.496,295 3.881,296 2.372,297 1.543,298 0.732,299 0.351,300 0.161,301 4.005,304 1,305 1,306 1,307 530,308 2.828,312 173.048,313 53.287,317 178.923,319 1.396,320 26.322,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 56,332 243,333 4.514,334 3.677,335 6.678,336 4.156,337 3.164,338 4.195,339 1.674,340 10.767,341 3.138,342 4.355,343 3.621,344 6.5,345 4.007,346 3.019,347 3.939,348 1.058,349 10.167,350 2.978,351 4.082,352 2.956,353 6.071,354 3.669,355 2.682,356 3.694,357 0.4,358 8.774,359 2.641,360 3.711,361 2.877,362 5.655,363 3.357,364 2.36,365 3.036,367 7.346,368 2.341,369 3.39,370 2.546,371 5.159,372 3.035,373 2.063,374 2.602,376 6.119,377 1.994,378 3.177,379 1.914,380 4.506,381 2.722,382 1.735,383 2.415,385 4.33,386 1.704,387 2.916,388 1.663,389 4.195,390 2.454,391 1.463,392 2.098,394 3.613,395 1.448,396 2.773,397 1.504,398 3.914,399 2.318,400 1.325,401 1.873,403 3.21,404 1.313,405 2.715,406 1.461,407 3.763,408 2.232,409 1.234,410 1.803,412 2.875,413 1.23,414 2.585,415 1.325,416 3.599,417 2.102,418 1.129,419 1.574,421 2.605,422 1.087,423 2.516,424 1.314,425 3.566,426 2.009,427 1,428 1.486,430 2.596,431 1.005,432 1.523,433 1.107,434 2.965,435 1.15,436 0.221,437 0.258,439 0.422,440 0.199,441 1.477,442 0.611,443 2.832,444 1.139,445 0.168,446 0.215,448 0.304,449 0.164,450 1.24,451 0.145,452 2.623,453 0.918,454 -0.051,455 -0.062,457 -0.133,458 -0.049,459 1.004,461 2.381,462 0.6,463 -0.418,464 -0.567,466 -1.05,467 -0.422,468 12.3,469 0.473,470 0.589,471 0.023,472 38.5,473 1.481,474 22,475 0.846,476 16.5,477 0.635,478 16.84,479 0.648,480 26.1,481 0.621,482 29.774,483 1.145,484 7.928,485 0.305,486 4.741,487 0.182,488 0.095,490 0.366,496 0.725,497 1.027,498 0.696,499 0.889,500 0.561,501 0.797,502 0.705,503 1.037,504 0.792,505 0.9,506 0.557,507 0.874,508 0.758,509 1.162,510 0.83,511 1.037,512 0.739,513 0.959,514 1.225,515 1.047,516 1.075,517 1.016,518 1.262,519 1.008,520 1.212,521 0.946,522 1.089,523 0.998,524 1.24,525 1.016,526 1.08,527 1.022,528 1.099,529 1.057,530 1.094,531 1.085,532 0.714,533 0.989,534 0.974,535 1.039,536 0.798,537 1.057,538 0.982,539 0.997,540 0.871,541 0.965,542 1.003,543 0.91,544 4.5,545 0.074,546 3.333,547 1.938,548 1.763,549 0.865,550 0.575,551 0.374,552 0.269,553 0.171,554 7391,555 21441,556 2.124,557 38.1,559 14,562 2,567 1.695,568 2,569 3.206,570 0.213,572 1,577 63.484,578 1.512,579 3.02,580 3.849,581 4.66,582 5.041,583 5.231,584 2.623,585 4.056,586 4.675,587 3.326,588 1081.05,589 8.122,590 12962.6,591 1,592 1,594 1,595 226.477,596 1.37,597 4.637,598 0.155,599 0.006,600 0.081,601 0.04,602 0.04,603 0.022,604 0.019,605 0.014,606 0.011,607 0.008,608 0.396,609 0.33,610 1,611 0.902,612 124.606,613 -0.059,614 0.014,615 0.031,616 0.031,617 -0.07,618 0.049,619 0.134,620 -0.028,621 0.019,622 0.041,623 0.061,624 0.009,625 -0.008,626 -0.128,627 0.023,628 -0.101,629 0.007,630 -0.048,631 -0.128,632 -0.023,633 -0.133,634 -0.077,635 -0.085,636 -0.096,637 -0.163,638 0.014,639 -0.119,640 -0.019,641 -0.113,642 -0.049,643 -0.119,644 -0.091,645 -0.102,646 -0.057,647 -0.113,648 -0.076,649 0.104,650 -0.028,651 0.027,652 -0.044,653 0.005,654 -0.031,655 -0.022,656 -0.042,657 0.173,658 0.033,659 -0.002,660 0.12,661 2.063,662 5.512,663 0.808,664 19.769,665 1.009,666 1.108,667 3.126,668 9.772,669 0.707,670 3.401,671 3.738,672 4.06,673 4.344,674 4.615,675 4.745,676 4.913,677 5.056,678 5.215,679 5.318,680 5.595,681 0.687,682 344.39,683 3.401,684 4.949,685 5.82,686 6.711,687 7.598,688 8.495,689 9.388,690 10.286,691 11.182,692 12.082,693 4.8,700 1,701 1,709 11,714 7,716 18,723 1,726 1,728 1,735 42,737 20,738 3,739 29,741 45,742 21,743 18,744 7,745 11,746 2,748 4,749 7,762 20,763 1,767 2,772 2,776 2,780 1,783 16,784 5,785 2,786 5,792 2,797 0.5,798 3,816 3,817 1,821 2,843 2,847 1,851 26,860 2,861 1,874 7.1,877 2,879 1,881 13,882 7.917,883 5.75,884 2.361,886 3.786,887 1.485,888 1.027,889 4.191,890 11.588,891 3.714,892 4.324,893 4.94,894 5.526,895 6.103,896 6.393,897 6.864,898 7.275,899 7.707,900 8.061,901 1,902 48,903 9.599,905 4.164,906 7.865,907 18.012,909 14.819,911 2.365,912 61.5,915 1,916 164.795,917 148.03,918 36.022,920 61.29,923 148.03,924 226.085,925 36.022,926 10.883,927 18.011,928 104.239,929 62.186,930 50.023,932 164.795,934 164.795,935 184.052,936 61.29,939 164.795,940 61.29,943 36.022,944 148.03,947 164.795,948 97.311,949 148.03,952 164.795,953 32.909,954 115.122,955 36.022,956 61.29,957 164.795,958 97.311,959 148.03,961 0.581,962 0.356,963 0.198,964 0.11,965 21,966 9,967 0.067,968 3,969 2,970 1.19,971 3.675,972 232.321,973 0.19,974 21,975 122.211,981 16.369,982 6.657,983 2.991,985 97.311,986 20.224,991 4.827,993 36.022,994 410.137,995 40,1000 24.577,1004 -0.572,1007 42.371,1008 46.531,1009 0.28,1010 0.56,1011 0.714,1012 0.864,1013 0.935,1014 0.97,1015 4.945,1016 1.325,1017 5.808,1018 3.613,1019 4.419,1020 5.011,1021 2.216,1022 6.65,1023 4.389,1024 6.161,1025 1.234,1026 7.386,1027 3.21,1028 4.007,1029 4.783,1031 7.609,1032 3.979,1033 7.475,1034 1.129,1035 9.066,1036 2.875,1037 6.038,1038 7.21,1039 2.959,1040 10.735,1041 5.984,1042 8.826,1043 1,1044 10.807,1045 2.605,1046 6.463,1047 7.798,1049 12.513,1050 6.407,1051 10.208,1052 0.221,1053 12.585,1054 2.596,1055 7.948,1056 9.687,1057 3.869,1058 15.14,1059 7.875,1060 11.613,1061 0.168,1062 14.389,1063 0.422,1064 8.755,1065 10.665,1067 17.244,1068 8.677,1069 13.035,1070 -0.051,1071 16.21,1072 0.304,1073 10.022,1074 12.314,1075 4.85,1076 19.696,1077 9.931,1078 3.164,1079 -0.418,1080 18.044,1081 -0.133,1082 11.004,1083 13.491,1085 21.939,1086 10.905,1087 3.019,1088 10.767,1089 19.887,1090 -1.05,1091 12.183,1092 15.023,1093 5.861,1094 24.327,1095 12.074,1096 2.682,1097 10.167,1098 21.737,1099 4.195,1100 13.245,1101 16.305,1103 26.631,1104 13.128,1105 2.36,1106 8.774,1107 23.592,1108 3.939,1109 14.391,1110 17.777,1111 6.884,1112 28.996,1113 14.264,1114 2.063,1115 7.346,1116 25.452,1117 3.694,1118 15.49,1119 19.116,1121 31.328,1122 15.354,1123 1.735,1124 6.119,1125 27.316,1126 3.036,1127 16.624,1128 20.558,1129 7.911,1130 33.687,1131 16.48,1132 1.463,1133 4.33,1134 29.183,1135 2.602,1136 17.741,1137 21.93,1139 36.032,1140 17.587,1141 7050,1142 12111,1143 19.592,1144 29.705,1145 43.604,1146 45.87,1147 45.288,1148 43.058,1149 43.13,1150 58.378,1151 6.265,1152 126.256,1153 42.486,1154 5.346,1155 5.677,1156 6.362,1157 5.178,1158 5.164,1159 7.195,1160 3.349,1161 17.9,1162 5.138,1163 11.178,1164 1.504,1165 1.582,1166 1.562,1167 1.485,1168 1.487,1169 2.013,1170 0.216,1171 4.354,1172 1.465,1173 4.068,1174 4.092,1175 4.029,1176 4.002,1177 7.434,1178 4.005,1179 3.912,1180 3.937,1181 3.863,1182 3.838,1183 7.428,1184 3.84,1185 3.744,1186 3.767,1187 3.686,1188 3.685,1189 4.855,1190 3.682,1191 3.399,1192 3.42,1193 3.312,1194 3.114,1195 4.732,1196 3.153,1197 3.303,1198 3.338,1199 3.246,1200 3.103,1201 4.552,1202 3.134,1203 3.073,1204 3.149,1205 2.969,1206 2.888,1207 4.462,1208 2.898,1209 2.981,1210 3.041,1211 2.788,1212 2.785,1213 3.984,1214 2.776,1215 2.886,1216 2.943,1217 2.761,1218 2.769,1219 3.904,1220 2.755,1221 0.156,1222 0.127,1223 0.23,1224 0.143,1225 0.109,1226 4.514,1227 0.145,1228 3.677,1229 0.058,1230 6.678,1231 0.371,1232 4.156,1233 0.108,1234 3.164,1235 4.195,1236 1.674,1237 10.767,1238 3.138,1239 2.002,1240 1.986,1241 2.079,1242 2.069,1243 1.22,1244 2.073,1245 1.886,1246 1.856,1247 1.992,1248 1.989,1249 1.079,1250 1.991,1251 1.781,1252 1.76,1253 1.883,1254 1.886,1255 0.977,1256 1.883,1257 1.276,1258 1.242,1259 1.596,1260 1.602,1261 0.582,1262 1.59,1263 1.203,1264 1.173,1265 1.334,1266 1.446,1267 0.363,1268 1.415,1269 1.048,1270 0.985,1271 1.253,1272 1.268,1273 0.306,1274 1.271,1275 0.962,1276 0.899,1277 1.184,1278 1.193,1279 0.228,1280 1.188,1281 0.896,1282 0.84,1283 1.132,1284 1.054,1285 0.215,1286 1.086,1287 4.078,1289 5.407,1291 6.944,1292 2.708,1293 8.571,1294 5.38,1295 10.244,1297 1.36,1305 6.208,1306 4.876,1314 28.875,1315 63.484,1316 126.86,1317 161.669,1318 195.722,1319 211.722,1320 219.722,1321 41.806,1322 7.803,1323 74.95,1324 74.95,1325 25,1326 12.605,1327 4.392,1328 3.585,1329 37.854,1330 90,1331 82,1332 0.216,1333 176.012,1334 309.05,1335 421.229,1336 26505,1338 18.096,1339 0.696,1340 0.541,1341 18.096,1342 14.076,1343 12.669,1344 0.437,1345 0.281,1346 8.06,1347 12.26,1348 7.867,1349 6.542,1350 12.669,1351 8.163,1352 11.248,1353 0.274,1354 0.144,1355 11.248,1356 5.922,1357 10.014,1358 0.176,1359 0.076,1360 10.014,1361 4.352,1362 8.462,1363 0.111,1364 0.04,1365 8.462,1366 3.072,1367 7.144,1368 0.071,1369 0.022,1370 7.144,1371 2.157,1372 0.329,1373 79.101,1374 0.226,1375 24.522,1376 0.622,1377 140,1378 423.872,1379 151.525,1380 410.714,1381 562.81,1382 384,1383 168,1384 413.325,1385 179.168,1386 422.521,1387 620.31,1388 397,1389 5.1}
{0 CHEMBL2004544,1 1.719,2 9.731,3 2.595,4 6.732,5 95.398,6 9.108,7 0.586,8 3.876,9 3.929,10 3.753,11 3.452,12 5.053,13 3.452,14 4.387,15 4.464,16 4.036,17 3.832,18 5.946,19 3.834,20 4.564,21 4.691,22 4.061,23 3.968,24 5.796,25 3.927,26 4.666,27 4.812,28 4.049,29 3.946,30 5.956,31 3.897,32 4.683,33 4.862,34 3.92,35 3.836,36 5.917,37 3.778,38 4.545,39 4.721,40 3.75,41 3.688,42 6.028,43 3.618,44 4.403,45 4.6,46 3.529,47 3.59,48 5.565,49 3.516,50 4.252,51 4.41,52 3.572,53 3.503,54 5.483,55 3.456,56 0.215,57 0.561,58 8.7,59 4.344,60 33.024,61 3.686,62 0.687,63 0.885,64 12.964,65 6.667,66 92.446,67 6.362,68 0.473,69 1.093,70 16.897,71 8.584,72 48.111,73 8.857,74 0.635,75 1.201,76 21.395,77 9.401,78 59.934,79 9.607,80 0.799,81 1.184,82 25.192,83 9.3,84 95.248,85 9.891,86 0.958,87 1.008,88 23.55,89 8.418,90 125.84,91 9.272,92 0.629,93 0.87,94 21.153,95 7.504,96 86.557,97 8.136,98 0.499,99 0.726,100 14.683,101 6.308,102 63.66,103 6.486,104 18,105 43,106 0.298,107 0.638,108 0.777,109 0.887,110 0.903,111 0.903,112 3.305,113 0.954,114 -2.76,115 -2.78,116 -2.69,119 43.9,125 1,126 1,142 8,143 3,144 5,167 2,170 1,172 8,174 2,175 2,178 2,180 5,183 8,184 2,188 8,193 8,196 6,197 3,200 8,204 1,205 8,208 5,209 1,213 2,216 1,218 3,219 2,221 8,222 1,225 2,228 5,229 2,230 2,233 8,238 2,243 2,246 7,247 1,250 6,255 2,258 4,259 2,264 8,267 1,269 2,272 1,273 1,276 974,277 17.264,278 17.264,279 17.264,280 17.264,281 17.264,282 14.915,283 21.63,284 9.89,285 17.641,286 14.321,287 14.321,288 14.321,289 14.321,290 14.321,291 10.629,292 30.367,293 4.667,294 14.959,295 3.638,296 1.677,297 0.878,298 0.244,299 0.146,300 0.146,301 3.999,304 1,305 1,306 1,307 554,308 3.464,311 58.94,312 185.268,315 100.322,316 105.255,319 1.388,320 42.207,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 58.5,332 253,333 4.904,334 5.174,335 7.315,336 4.374,337 3.437,338 4.864,339 2.925,340 12.634,341 3.228,342 4.481,343 3.317,344 6.679,345 3.968,346 3.008,347 4.325,348 1.392,349 10.575,350 2.85,351 4.288,352 3.248,353 6.193,354 3.891,355 2.937,356 3.924,357 0.657,358 9.255,359 2.796,360 3.618,361 2.696,362 5.411,363 3.3,364 2.331,365 2.961,366 0.532,367 6.815,368 2.25,369 3.491,370 2.591,371 5.26,372 3.05,373 2.077,374 2.894,376 6.458,377 2.021,378 3.461,379 2.274,380 5.054,381 2.987,382 2.008,383 2.821,385 5.782,386 1.956,387 2.886,388 1.991,389 4.366,390 2.477,391 1.534,392 2.024,394 4.213,395 1.439,396 2.797,397 1.796,398 4.276,399 2.297,400 1.305,401 1.936,403 3.556,404 1.293,405 2.688,406 1.752,407 3.782,408 2.245,409 1.265,410 1.753,412 2.912,413 1.234,414 2.225,415 1.297,416 3.466,417 2.108,418 1.116,419 1.206,421 2.49,422 1.105,423 1.944,424 1.112,425 3.284,426 1.677,427 0.726,428 0.853,430 1.73,431 0.687,432 1.614,433 0.856,434 3.035,435 1.324,436 0.392,437 0.462,439 0.964,440 0.362,441 1.292,442 0.666,443 2.921,444 0.873,445 -0.083,446 -0.109,448 -0.207,449 -0.078,450 1.002,451 0.097,452 2.642,453 0.644,454 -0.302,455 -0.365,457 -0.797,458 -0.282,459 1,460 0.051,461 2.399,462 0.358,463 -0.631,464 -0.882,466 -1.712,467 -0.621,468 12.233,469 0.471,470 0.826,471 0.032,472 38,473 1.462,474 21,475 0.808,476 17,477 0.654,478 17.406,479 0.669,480 27.967,481 0.682,482 29.35,483 1.129,484 7.522,485 0.289,486 4.909,487 0.189,488 0.109,489 0.068,490 0.327,496 0.778,497 1.088,498 0.769,499 1.146,500 0.862,501 0.809,502 0.736,503 0.932,504 0.792,505 0.853,506 0.452,507 0.844,508 0.794,509 1.174,510 0.884,511 1.043,512 0.727,513 1.052,514 0.919,515 1.235,516 1.047,517 1.143,518 0.883,519 1.153,520 1.023,521 1.057,522 0.995,523 1.016,524 1.152,525 1.077,526 0.741,527 0.897,528 1.076,529 0.977,530 0.785,531 1.059,532 1.032,533 0.737,534 1.022,535 0.809,536 1.145,537 0.882,538 1.109,539 0.868,540 0.868,541 0.844,542 1.147,543 0.942,544 6,545 0.156,546 3.556,547 2.319,548 1.706,549 1.066,550 0.52,551 0.277,552 0.316,553 0.218,554 7976,555 28128,556 2.092,557 36.6,559 10,560 2,562 3,567 1.691,568 1.938,569 3.254,570 1.012,571 1,572 1,577 70.488,578 1.719,579 3.681,580 4.48,581 5.114,582 5.211,583 5.211,584 2.643,585 4.287,586 4.675,587 3.44,588 1118.11,589 8.101,590 13738.6,591 1,592 1,594 1,595 219.66,596 1.619,597 4.616,598 0.207,599 0.009,600 0.083,601 0.054,602 0.043,603 0.032,604 0.018,605 0.011,606 0.013,607 0.009,608 0.478,609 0.33,610 1,611 0.777,612 126.183,613 -0.04,614 0.005,615 0.183,616 -0.038,617 -0.222,618 0.079,619 0.179,620 0.094,621 -0.027,622 0.073,623 0.331,624 0.019,625 -0.081,626 -0.163,627 -0.05,628 -0.089,629 -0.035,630 -0.098,631 -0.096,632 -0.216,633 -0.116,634 -0.177,635 -0.037,636 -0.19,637 -0.113,638 -0.077,639 -0.027,640 -0.078,641 -0.15,642 -0.073,643 0.221,644 0.081,645 -0.061,646 -0.013,647 0.252,648 -0.048,649 -0.154,650 0.208,651 -0.026,652 0.153,653 -0.164,654 0.173,655 -0.163,656 0.046,657 0.025,658 0.087,659 -0.185,660 0.059,661 5.323,662 4.585,663 0.731,664 20.923,665 1.032,666 1.112,667 1.535,668 2.355,669 0.7,670 3.401,671 3.784,672 4.06,673 4.357,674 4.564,675 4.654,676 4.727,677 4.82,678 4.836,679 4.913,680 6.01,681 0.687,682 373.41,683 3.401,684 4.977,685 5.844,686 6.753,687 7.638,688 8.549,689 9.439,690 10.35,691 11.243,692 12.155,693 2.4,698 1,708 2,709 8,714 6,716 17,728 1,732 1,733 2,735 41,737 19,738 3,739 29,741 44,742 18,743 16,744 8,745 8,748 4,749 6,762 16,763 2,767 2,770 1,772 2,779 1,780 1,783 15,784 7,785 3,786 8,787 1,792 1,797 0.5,798 6,815 1,816 3,819 1,820 1,841 1,843 2,845 1,851 26,856 1,857 2,858 2,860 1,861 2,874 14.6,875 1,876 1,877 2,879 2,881 13.417,882 7.15,883 5.472,884 2.167,886 3.478,887 1.458,888 0.99,889 4.245,890 11.067,891 3.701,892 4.407,893 4.992,894 5.628,895 6.199,896 6.517,897 6.86,898 7.21,899 7.505,900 7.73,901 1,902 43,903 10.034,905 4.834,906 8.144,907 17.805,909 15.063,911 2.644,912 68.75,915 1,916 141.253,917 109.031,918 18.011,920 148.092,922 1.339,923 107.692,924 289.345,925 18.011,927 8.756,928 116.245,929 105.007,930 45.126,931 23.542,932 117.711,934 141.253,935 125.703,936 148.092,937 1.339,939 141.253,940 108.996,941 39.096,943 8.756,944 98.936,945 19.35,947 141.253,948 166.103,949 109.031,951 1.339,952 141.253,953 31.882,954 75.81,955 18.011,956 148.092,957 141.253,958 166.103,959 109.031,961 0.6,962 0.347,963 0.19,964 0.101,965 23,966 10,967 0.091,968 4,969 2,970 1.211,971 3.731,972 228.166,973 0.211,974 19,975 120.211,980 1,981 17.12,982 6.446,983 3.254,984 0.562,985 166.103,986 12.881,991 2.492,993 99.79,994 416.387,995 39.5,998 -4.406,1000 23.17,1007 42.327,1008 45.581,1009 0.321,1010 0.687,1011 0.836,1012 0.954,1013 0.973,1014 0.973,1015 4.965,1016 1.305,1017 5.883,1018 4.213,1019 4.466,1020 5.094,1021 3.153,1022 6.772,1023 4.38,1024 6.235,1025 1.265,1026 7.497,1027 3.556,1028 4.29,1029 5.27,1031 7.993,1032 4.121,1033 7.61,1034 1.116,1035 9.223,1036 2.912,1037 6.18,1038 7.5,1039 5.046,1040 11.054,1041 5.989,1042 9.029,1043 0.726,1044 11.017,1045 2.49,1046 6.804,1047 8.47,1049 13.076,1050 6.513,1051 10.481,1052 0.392,1053 12.855,1054 1.73,1055 8.227,1056 10.252,1057 7.145,1058 15.739,1059 7.914,1060 11.957,1061 -0.083,1062 14.724,1063 0.964,1064 9.186,1065 11.553,1067 18.06,1068 8.777,1069 13.453,1070 -0.302,1071 16.614,1072 -0.207,1073 10.452,1074 13.183,1075 9.282,1076 20.612,1077 10.007,1078 3.437,1079 -0.631,1080 18.52,1081 -0.797,1082 11.552,1083 14.626,1085 23.048,1086 11.022,1087 3.008,1088 12.634,1089 20.44,1090 -1.712,1091 12.768,1092 16.204,1093 11.426,1094 25.571,1095 12.19,1096 2.937,1097 10.575,1098 22.369,1099 4.864,1100 13.928,1101 17.71,1103 28.056,1104 13.274,1105 2.331,1106 9.255,1107 24.307,1108 4.325,1109 15.133,1110 19.272,1111 13.572,1112 30.575,1113 14.422,1114 2.077,1115 6.815,1116 26.252,1117 3.924,1118 16.32,1119 20.808,1121 33.082,1122 15.539,1123 2.008,1124 6.458,1125 28.202,1126 2.961,1127 17.526,1128 22.368,1129 15.719,1130 35.603,1131 16.684,1132 1.534,1133 5.782,1134 30.158,1135 2.894,1136 18.727,1137 23.919,1139 38.121,1140 17.818,1141 7539,1142 14318,1143 19.186,1144 28.71,1145 44.102,1146 47.114,1147 45.069,1148 44.307,1149 44.271,1150 60.047,1151 11.01,1152 134.77,1153 42.443,1154 5.765,1155 7.174,1156 6.844,1157 5.423,1158 5.437,1159 7.864,1160 5.85,1161 20.51,1162 5.228,1163 12.789,1164 1.521,1165 1.625,1166 1.554,1167 1.528,1168 1.527,1169 2.071,1170 0.38,1171 4.647,1172 1.464,1173 4.161,1174 4.154,1175 4.729,1176 4.14,1177 7.762,1178 4.101,1179 3.957,1180 3.965,1181 3.988,1182 3.863,1183 6.999,1184 3.868,1185 3.767,1186 3.7,1187 3.897,1188 3.707,1189 6.47,1190 3.609,1191 3.5,1192 3.545,1193 3.412,1194 3.356,1195 6.312,1196 3.35,1197 3.333,1198 3.354,1199 3.248,1200 3.132,1201 5.007,1202 3.148,1203 3.078,1204 3.134,1205 2.981,1206 2.874,1207 4.788,1208 2.878,1209 2.965,1210 2.995,1211 2.839,1212 2.797,1213 4.398,1214 2.797,1215 2.791,1216 2.853,1217 2.65,1218 2.61,1219 4.271,1220 2.606,1221 0.169,1222 0.178,1223 0.252,1224 0.151,1225 0.119,1226 4.904,1227 0.168,1228 5.174,1229 0.101,1230 7.315,1231 0.436,1232 4.374,1233 0.111,1234 3.437,1235 4.864,1236 2.925,1237 12.634,1238 3.228,1239 2.093,1240 2.094,1241 2.123,1242 2.148,1243 1.333,1244 2.16,1245 1.878,1246 1.859,1247 1.976,1248 1.966,1249 1.141,1250 1.972,1251 1.571,1252 1.615,1253 1.651,1254 1.698,1255 0.738,1256 1.735,1257 1.403,1258 1.386,1259 1.468,1260 1.596,1261 0.669,1262 1.602,1263 1.176,1264 1.145,1265 1.426,1266 1.518,1267 0.577,1268 1.485,1269 1.114,1270 1.075,1271 1.172,1272 1.345,1273 0.425,1274 1.363,1275 0.899,1276 0.884,1277 1.077,1278 1.153,1279 0.152,1280 1.132,1281 0.794,1282 0.736,1283 0.945,1284 0.988,1285 0.066,1286 1.019,1287 4.078,1289 5.442,1290 2.398,1291 7,1292 4.595,1293 8.652,1294 6.581,1295 10.354,1302 19.624,1303 0.618,1305 3.182,1306 10.628,1314 28.185,1315 70.488,1316 150.905,1317 183.66,1318 209.66,1319 213.66,1320 213.66,1321 50.089,1322 7.589,1323 105.09,1324 113.47,1325 23,1326 12.673,1327 4.322,1328 3.524,1329 38.046,1330 93,1331 86,1332 0.199,1333 172.343,1334 298.95,1335 412.276,1336 20714,1338 18.311,1339 0.704,1340 0.549,1341 18.561,1342 14.285,1343 12.432,1344 0.429,1345 0.318,1346 7.762,1347 11.14,1348 7.517,1349 6.179,1350 13.326,1351 9.219,1352 12.167,1353 0.283,1354 0.168,1355 13.535,1356 7.217,1357 9.714,1358 0.17,1359 0.089,1360 10.45,1361 5.088,1362 8.49,1363 0.11,1364 0.048,1365 9.166,1366 3.669,1367 6.669,1368 0.07,1369 0.026,1370 7.255,1371 2.515,1372 0.309,1373 87.881,1374 0.228,1375 24.882,1376 0.556,1377 144,1378 502.435,1379 195.3,1380 494.924,1381 662.56,1382 454,1383 172,1384 454.016,1385 231.126,1386 495.677,1387 726.83,1388 462,1389 5.1}
{0 CHEMBL2004615,1 1.847,2 6.412,3 0.906,4 0.821,5 68.331,6 8.905,7 0.611,8 3.463,9 3.596,10 3.226,11 3.002,12 4.745,13 2.976,14 3.88,15 4.036,16 3.549,17 3.313,18 5.177,19 3.275,20 3.983,21 4.149,22 3.633,23 3.334,24 5.295,25 3.322,26 4.073,27 4.252,28 3.715,29 3.338,30 5.558,31 3.313,32 4.068,33 4.268,34 3.347,35 3.317,36 5.307,37 3.222,38 3.983,39 4.21,40 3.099,41 3.165,42 5.262,43 3.024,44 3.839,45 4.133,46 2.642,47 2.878,48 4.885,49 2.682,50 3.355,51 3.626,52 1.838,53 2.351,54 4.425,55 2.137,56 0.105,57 0.484,58 4.876,59 2.225,60 11.637,61 2.483,62 0.201,63 0.699,64 11.898,65 3.973,66 21.913,67 4.547,68 0.242,69 0.75,70 9.994,71 3.439,72 26.643,73 4.002,74 0.402,75 0.787,76 12.26,77 3.542,78 39.699,79 4.311,80 0.321,81 0.735,82 15.931,83 4.264,84 32.712,85 4.567,86 0.323,87 0.6,88 13.015,89 4.336,90 47.574,91 5.172,92 0.247,93 0.451,94 15.058,95 4.299,96 30.193,97 5.497,98 0.147,99 0.255,100 8.167,101 2.61,102 20.992,103 3.36,104 21,105 25,106 0.359,107 0.743,108 0.812,109 0.873,110 0.873,111 0.873,112 2.91,113 1.002,114 -3.06,115 -3.06,116 -2.95,119 35.7,124 1,142 3,143 1,145 1,147 2,153 1,158 1,163 2,164 2,165 2,166 1,172 2,174 1,175 7,177 2,178 2,180 2,183 2,185 2,187 1,188 4,190 1,191 1,199 2,200 4,202 4,203 4,204 1,205 3,207 2,208 1,210 3,211 1,213 2,218 1,221 2,223 1,224 1,225 1,227 1,228 1,230 2,233 2,235 2,238 1,243 1,246 1,248 1,250 1,255 1,260 1,276 291,277 11.336,278 11.336,279 11.336,280 11.336,281 11.336,282 9.829,283 12.596,284 6.658,285 11.778,286 8.79,287 8.79,288 8.79,289 8.79,290 8.79,291 6.507,292 12.877,293 3.021,294 9.362,295 2.96,296 0.982,297 0.625,298 0.313,299 0.313,300 0.313,301 3.555,305 1,306 1,307 221,308 2.55,311 46.253,312 54.336,319 1.024,320 19.529,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 37.5,332 109,333 4.627,334 4.375,335 6.91,336 4.215,337 3.264,338 4.365,339 2.95,340 11.506,341 3.106,342 3.988,343 3.509,344 6.116,345 3.584,346 2.629,347 3.507,348 0.98,349 8.742,350 2.51,351 3.397,352 3.081,353 5.046,354 2.936,355 1.958,356 2.69,358 5.473,359 1.904,360 3.214,361 2.511,362 4.855,363 2.77,364 1.89,365 2.405,367 5.083,368 1.636,369 2.841,370 2.151,371 4.023,372 2.39,373 1.411,374 1.949,376 3.213,377 1.372,378 2.5,379 1.611,380 3.49,381 1.959,382 1,383 1.5,385 2.3,386 0.957,387 2.375,388 1.022,389 3.247,390 1.86,391 0.878,392 1.277,394 2.136,395 0.856,396 1.57,397 1,398 2.846,399 1.226,400 0.43,401 0.474,403 0.647,404 0.333,405 0.94,406 0.737,407 2.553,408 0.591,409 -0.333,410 -0.387,412 -0.766,413 -0.304,414 0.614,415 0.087,416 2.139,417 0.163,418 -0.77,419 -0.976,421 -1.67,422 -0.693,423 0.5,424 -0.243,425 1.803,426 0.041,427 -1,428 -1.345,430 -2,431 -0.967,432 0.405,433 -0.807,434 1.555,435 -0.025,436 -1,437 -1.471,439 -2.347,440 -0.988,441 0.146,442 -1,443 1.474,444 -0.279,445 -1.16,446 -1.5,448 -2.969,449 -1.035,450 -0.296,451 -1.378,452 1.251,453 -0.626,454 -1.581,455 -1.967,457 -4.789,458 -1.492,459 -0.5,460 -1.463,461 1.014,462 -0.873,463 -1.768,464 -2.165,466 -4.913,467 -1.578,468 8.167,469 0.48,470 0.439,471 0.026,472 23.5,473 1.382,474 12.5,475 0.735,476 11,477 0.647,478 10.875,479 0.64,480 18.233,481 0.651,482 15.309,483 0.901,484 4.602,485 0.271,486 3.545,487 0.209,488 0.2,490 0.355,496 0.893,497 1.102,498 0.736,499 0.781,500 0.884,501 0.773,502 0.611,503 1.285,504 1.037,505 1.226,506 0.497,507 0.902,508 1.182,509 1.289,510 0.75,511 0.88,512 1.086,513 0.845,514 0.794,515 1.093,516 0.838,517 1.022,518 0.773,519 0.988,520 1.523,521 1.083,522 1.571,523 1.255,524 1.27,525 1.188,526 1.171,527 0.821,528 1.111,529 0.971,530 1.419,531 1.178,532 0.913,533 0.706,534 1.024,535 0.93,536 0.905,537 0.954,538 1.061,539 0.917,540 1.076,541 1.148,542 1.371,543 1.341,544 3,546 2,547 1.979,548 1.216,549 0.479,550 0.22,551 0.109,552 0.061,554 1965,555 7004,556 1.96,557 39.3,559 6,561 1,562 4,567 1.577,568 1.789,569 2.721,570 2.236,572 1,574 1,577 51.723,578 1.847,579 3.825,580 4.182,581 4.495,582 4.495,583 4.495,584 2.184,585 3.617,586 4.058,587 2.813,588 382.513,589 6.897,590 3407.05,591 1,592 1,595 134.606,596 1.549,597 3.989,598 0.167,600 0.08,601 0.076,602 0.049,603 0.027,604 0.017,605 0.014,606 0.02,608 0.449,609 0.5,610 1,611 1.095,612 68.706,613 -0.139,614 0.082,615 0.024,616 0.142,617 -0.225,618 0.089,619 0.191,620 -0.167,622 -0.129,623 0.163,624 0.049,625 -0.141,626 -0.212,627 0.067,628 -0.004,629 -0.115,630 0.008,631 0.322,632 0.002,633 0.074,634 -0.128,635 0.251,636 -0.155,637 -0.485,638 -0.022,639 -0.466,640 -0.197,641 -0.26,642 -0.275,643 -0.125,644 0.078,645 -0.176,646 -0.032,647 -0.175,648 -0.199,649 -0.024,650 0.054,651 0.071,652 0.087,653 0.026,654 0.163,655 -0.073,656 -0.21,657 -0.14,658 -0.222,659 -0.154,660 -0.246,661 2.256,662 4.301,663 0.647,664 10.021,665 1.02,666 1.138,667 1.829,668 3.347,669 0.693,670 2.944,671 3.258,672 3.555,673 3.829,674 3.912,675 3.871,676 3.829,677 3.664,678 3.434,679 3.135,680 4.071,681 0.664,682 249.33,683 2.944,684 4.466,685 5.323,686 6.213,687 7.094,688 7.993,689 8.884,690 9.786,691 10.68,692 11.584,693 17.9,697 1,700 1,701 1,703 2,709 4,710 2,714 4,715 1,716 11,722 1,727 1,735 28,737 12,739 18,741 29,742 10,743 8,746 1,748 2,749 2,762 9,763 1,767 1,772 1,776 1,780 1,783 11,784 5,785 4,786 7,787 1,792 5,797 1,798 1,807 1,809 1,815 1,816 1,843 2,844 1,845 1,847 1,851 17,852 2,862 1,874 3.6,877 1,881 9.5,882 5.183,883 3.889,884 1.328,886 2.113,887 1.356,888 0.979,889 3.355,890 8.051,891 3.239,892 3.845,893 4.456,894 5.057,895 5.443,896 5.663,897 5.968,898 6.173,899 6.326,900 6.366,901 1,902 26,903 6.211,905 2.587,906 8.039,907 11.387,909 8.816,911 2.539,912 43.167,913 0.001,916 82.398,917 90.554,918 101.019,920 25.145,922 32.22,923 58.334,924 107.543,925 101.019,926 7.19,927 32.897,928 61.326,929 75.069,930 16.337,931 3.45,932 102.846,934 82.398,935 159.354,936 25.145,937 32.22,939 82.398,940 25.145,943 46.049,944 79.856,945 33.449,946 32.22,947 82.398,948 126.164,949 90.554,952 82.398,953 45.888,954 46.443,956 124.388,957 82.398,958 126.164,959 90.554,961 0.575,962 0.355,963 0.206,964 0.105,965 12,966 6,967 0.103,968 3,970 1,971 2.808,972 117.571,974 11,975 69.487,977 1,981 11.951,982 4.773,983 2.138,985 124.388,986 6.969,987 8.328,991 1.497,992 1.409,993 65.794,994 299.116,995 24.5,1000 11.301,1004 -0.589,1007 28.564,1008 31.867,1009 0.384,1010 0.796,1011 0.87,1012 0.935,1013 0.935,1014 0.935,1015 4.451,1016 0.43,1017 5.323,1018 2.136,1019 3.932,1020 4.527,1021 3.012,1022 6.184,1023 3.822,1024 5.677,1025 -0.333,1026 6.919,1027 0.647,1028 3.611,1029 4.388,1031 7.239,1032 3.461,1033 6.999,1034 -0.77,1035 8.624,1036 -0.766,1037 5.557,1038 6.755,1039 5.039,1040 10.38,1041 5.349,1042 8.365,1043 -1,1044 10.392,1045 -1.67,1046 6.089,1047 7.474,1049 12.282,1050 5.836,1051 9.766,1052 -1,1053 12.201,1054 -2,1055 7.533,1056 9.313,1057 7.186,1058 14.952,1059 7.232,1060 11.195,1061 -1.16,1062 14.038,1063 -2.347,1064 8.438,1065 10.428,1067 17.176,1068 8.088,1069 12.644,1070 -1.581,1071 15.895,1072 -2.969,1073 9.702,1074 12.052,1075 9.348,1076 19.692,1077 9.305,1078 3.264,1079 -1.768,1080 17.766,1081 -4.789,1082 10.766,1083 13.354,1085 22.043,1086 10.318,1087 2.629,1088 11.506,1089 19.648,1090 -4.913,1091 11.967,1092 14.887,1093 11.511,1094 24.507,1095 11.472,1096 1.958,1097 8.742,1098 21.538,1099 4.365,1100 13.097,1101 16.278,1103 26.91,1104 12.55,1105 1.89,1106 5.473,1107 23.436,1108 3.507,1109 14.279,1110 17.773,1111 13.675,1112 29.357,1113 13.683,1114 1.411,1115 5.083,1116 25.338,1117 2.69,1118 15.436,1119 19.205,1121 31.782,1122 14.79,1123 1,1124 3.213,1125 27.246,1126 2.405,1127 16.614,1128 20.685,1129 15.838,1130 34.224,1131 15.918,1132 0.878,1133 2.3,1134 29.156,1135 1.949,1136 17.784,1137 22.137,1139 36.658,1140 17.037,1141 2081,1142 4017,1143 11.444,1144 19.415,1145 27.246,1146 30.495,1147 28.623,1148 26.856,1149 26.92,1150 36.333,1151 7.86,1152 78.201,1153 25.347,1154 5.276,1155 6.375,1156 6.712,1157 5.258,1158 5.264,1159 7.365,1160 5.9,1161 18.883,1162 5.05,1163 9.283,1164 1.514,1165 1.694,1166 1.59,1167 1.492,1168 1.496,1169 2.019,1170 0.437,1171 4.344,1172 1.408,1173 4.019,1174 4.068,1175 4.091,1176 3.863,1177 7.437,1178 3.88,1179 3.742,1180 3.78,1181 3.759,1182 3.645,1183 5.173,1184 3.639,1185 3.279,1186 3.348,1187 3.474,1188 3.142,1189 4.876,1190 3.034,1191 3.194,1192 3.274,1193 3.194,1194 2.921,1195 4.864,1196 2.975,1197 2.839,1198 2.969,1199 2.673,1200 2.659,1201 4.529,1202 2.654,1203 2.776,1204 2.87,1205 2.611,1206 2.464,1207 3.867,1208 2.489,1209 2.674,1210 2.758,1211 2.523,1212 2.396,1213 3.819,1214 2.411,1215 2.309,1216 2.403,1217 2.069,1218 1.811,1219 3.561,1220 1.852,1221 0.257,1222 0.243,1223 0.384,1224 0.234,1225 0.181,1226 4.627,1227 0.242,1228 4.375,1229 0.164,1230 6.91,1231 0.639,1232 4.215,1233 0.173,1234 3.264,1235 4.365,1236 2.95,1237 11.506,1238 3.106,1239 1.835,1240 1.793,1241 1.943,1242 2,1243 0.96,1244 1.981,1245 1.593,1246 1.579,1247 1.644,1248 1.767,1249 0.785,1250 1.743,1251 1.312,1252 1.25,1253 1.521,1254 1.567,1255 0.589,1256 1.561,1257 1.126,1258 1.046,1259 1.345,1260 1.421,1261 0.289,1262 1.452,1263 0.868,1264 0.773,1265 1.146,1266 1.232,1267 0.06,1268 1.216,1269 0.787,1270 0.707,1271 1.039,1272 1.008,1274 1.04,1275 0.591,1276 0.489,1277 0.901,1278 0.927,1280 0.934,1281 0.285,1282 0.133,1283 0.628,1284 0.681,1286 0.673,1287 3.611,1289 4.92,1290 2.398,1291 6.438,1292 4.844,1293 8.048,1294 7.034,1295 9.708,1297 1.803,1301 11.135,1307 1.313,1314 18.589,1315 51.723,1316 107.096,1317 117.096,1318 125.851,1319 125.851,1320 125.851,1321 27.386,1322 5.938,1323 99.82,1324 125.12,1325 11,1326 12.105,1327 3.7,1328 2.907,1329 28.17,1330 41,1331 38,1332 0.363,1333 123.441,1334 201.5,1335 292.957,1336 2074,1338 12.414,1339 0.73,1340 0.585,1341 12.767,1342 9.939,1343 8.147,1344 0.453,1345 0.334,1346 4.808,1347 7.3,1348 4.558,1349 3.824,1350 8.705,1351 6.01,1352 7.146,1353 0.286,1354 0.161,1355 7.613,1356 4.028,1357 5.951,1358 0.175,1359 0.084,1360 6.433,1361 2.868,1362 5.21,1363 0.116,1364 0.045,1365 5.77,1366 2.011,1367 3.709,1368 0.076,1369 0.025,1370 4.243,1371 1.241,1372 0.531,1373 57.014,1374 0.296,1375 16.696,1376 1.114,1377 86,1378 290.156,1379 116.399,1380 304.096,1381 410.44,1382 282,1383 102,1384 292.376,1385 128.797,1386 305.845,1387 446.18,1388 285,1389 5.4}
{0 CHEMBL2004647,1 1.801,2 8.957,3 1.847,4 3.41,5 87.482,6 9.531,7 0.44,8 3.815,9 3.926,10 3.574,11 3.319,12 4.991,13 3.315,14 4.348,15 4.524,16 4.027,17 3.742,18 5.545,19 3.716,20 4.591,21 4.774,22 4.324,23 3.918,24 5.728,25 3.872,26 4.705,27 4.9,28 4.324,29 3.946,30 6.063,31 3.864,32 4.66,33 4.88,34 4.297,35 3.877,36 5.764,37 3.767,38 4.435,39 4.635,40 4.005,41 3.709,42 5.592,43 3.585,44 4.413,45 4.641,46 3.885,47 3.522,48 5.544,49 3.399,50 4.187,51 4.439,52 3.063,53 3.247,54 5.174,55 3.085,56 0.133,57 0.607,58 5.825,59 3.448,60 15.803,61 4.111,62 0.379,63 0.978,64 14.48,65 5.81,66 44.647,67 7.415,68 0.384,69 1.17,70 22.528,71 7.625,72 35.269,73 9.793,74 0.804,75 1.185,76 37.441,77 9.432,78 104.379,79 11.434,80 0.676,81 1.104,82 46.12,83 8.954,84 66.839,85 10.531,86 0.431,87 0.91,88 34.913,89 7.773,90 38.966,91 9.561,92 0.545,93 0.8,94 33.197,95 7.219,96 64.229,97 8.652,98 0.431,99 0.62,100 31.749,101 6.022,102 41.85,103 7.661,104 41,105 37,106 0.322,107 0.7,108 0.854,109 0.881,110 0.881,111 0.881,112 3.19,113 0.967,114 -4.04,115 -3.99,116 -3.78,117 1,119 37.5,120 1,121 1,124 1,125 2,127 1,143 3,144 2,145 1,147 1,149 1,158 1,167 1,170 1,172 2,173 1,174 2,175 5,178 1,180 4,183 3,188 5,189 1,191 1,193 1,194 1,196 3,197 1,199 2,200 7,203 4,204 1,205 2,208 1,209 1,213 2,214 1,216 1,218 2,221 3,222 1,224 1,225 3,228 2,230 3,233 2,234 1,238 1,239 1,241 1,243 3,249 1,253 1,255 1,258 1,268 1,269 1,273 1,276 561,277 15.146,278 15.146,279 15.146,280 15.146,281 15.146,282 13.589,283 19.435,284 8.477,285 15.571,286 12.182,287 12.182,288 12.182,289 12.182,290 12.182,291 9.807,292 27.579,293 3.865,294 12.943,295 3.521,296 1.403,297 0.538,298 0.388,299 0.388,300 0.388,301 3.86,304 1,305 1,306 1,307 434,308 2.915,311 56.634,312 111.199,316 95.106,319 1.527,320 31.788,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 50.75,332 206,333 4.736,334 3.643,335 6.99,336 4.277,337 3.321,338 4.69,339 1.437,340 11.77,341 3.175,342 4.239,343 3.473,344 6.499,345 3.898,346 2.957,347 3.763,348 0.8,349 10.036,350 2.763,351 3.856,352 3.056,353 6.048,354 3.606,355 2.638,356 3.199,357 0.4,358 8.451,359 2.547,360 3.607,361 2.755,362 5.577,363 3.256,364 2.309,365 2.974,367 7.159,368 2.157,369 3.428,370 2.342,371 5.281,372 3.045,373 2.12,374 2.551,376 6.433,377 1.938,378 3.012,379 2.169,380 4.859,381 2.653,382 1.725,383 2.087,385 4.94,386 1.58,387 2.755,388 1.837,389 4.4,390 2.289,391 1.345,392 1.799,394 3.592,395 1.227,396 2.452,397 1.425,398 3.851,399 2.101,400 1.16,401 1.444,403 2.853,404 1.084,405 1.757,406 1.101,407 3.306,408 1.687,409 0.73,410 0.743,412 1.728,413 0.687,414 1.598,415 0.77,416 3.206,417 1.259,418 0.373,419 0.412,421 0.842,422 0.305,423 1.35,424 0.593,425 3.02,426 1.128,427 0.277,428 0.301,430 0.444,431 0.199,432 1.197,433 0.516,434 2.622,435 0.737,436 -0.154,437 -0.189,439 -0.366,440 -0.125,441 1.07,442 0.238,443 2.564,444 0.733,445 -0.198,446 -0.249,448 -0.546,449 -0.184,450 0.485,451 -0.007,452 2.261,453 0.025,454 -0.919,455 -1.108,457 -2,458 -0.738,459 0.353,460 -0.755,461 2.028,462 -0.036,463 -1,464 -1.264,466 -2.589,467 -0.955,468 11.433,469 0.497,470 0.737,471 0.032,472 28,473 1.217,474 12.5,475 0.543,476 15.5,477 0.674,478 22.173,479 0.964,480 25.167,481 0.629,482 19.039,483 0.828,484 5.264,485 0.229,486 5.671,487 0.247,488 0.292,490 0.429,496 0.914,497 1.444,498 0.502,499 0.872,500 0.813,501 0.872,502 0.652,503 0.982,504 0.536,505 0.677,506 0.42,507 0.716,508 0.762,509 1.268,510 0.751,511 0.99,512 0.64,513 0.938,514 0.763,515 1.028,516 1.254,517 1.034,518 0.678,519 0.984,520 1.122,521 0.854,522 1.644,523 1.117,524 0.94,525 1.007,526 0.652,527 1.202,528 1.626,529 1.418,530 0.592,531 1.282,532 1.028,533 0.938,534 1.199,535 1.18,536 1.115,537 1.134,538 0.875,539 0.928,540 1.377,541 1.229,542 0.857,543 1.183,544 5,545 0.085,546 3.333,547 2.41,548 2.13,549 1.094,550 0.602,551 0.32,552 0.197,553 0.106,554 4842,555 15900,556 1.991,557 42.5,558 3,559 8,561 1,562 3,565 2,567 1.661,568 1.792,569 3.116,570 1.118,571 1,572 1,577 72.032,578 1.801,579 3.919,580 4.784,581 4.934,582 4.934,583 4.934,584 2.752,585 3.936,586 4.49,587 3.244,588 820.827,589 7.755,590 8863.78,591 1,592 1,594 1,595 212.877,596 1.55,597 4.413,598 0.2,599 0.012,600 0.09,601 0.059,602 0.055,603 0.035,604 0.023,605 0.017,606 0.015,607 0.011,608 0.517,609 0.5,610 1,611 1.009,612 105.26,613 -0.152,614 -0.211,615 -0.007,616 0.008,617 -0.111,618 0.026,619 0.078,620 0.187,621 0.054,622 0.188,623 0.184,624 0.202,625 0.003,626 -0.174,627 0.079,628 -0.045,629 0.038,630 0.019,631 0.221,632 -0.019,633 -0.034,634 0.012,635 0.258,636 -0.006,637 -0.174,638 0.14,639 -0.076,640 0.016,641 -0.117,642 -0.003,643 0.11,644 -0.192,645 -0.129,646 -0.264,647 0.088,648 -0.244,649 -0.04,650 -0.03,651 -0.008,652 -0.14,653 -0.083,654 -0.122,655 0.018,656 -0.063,657 -0.187,658 -0.183,659 -0.053,660 -0.139,661 2.882,662 4.256,663 0.652,664 17.52,665 1.02,666 1.134,667 2.806,668 7.874,669 0.677,670 3.258,671 3.638,672 3.97,673 4.248,674 4.454,675 4.615,676 4.727,677 4.828,678 4.913,679 4.812,680 5.185,681 0.649,682 381.26,683 3.258,684 4.828,685 5.714,686 6.624,687 7.528,688 8.444,689 9.354,690 10.273,691 11.187,692 12.108,693 10,695 1,699 1,703 2,708 2,709 1,710 2,714 5,716 11,725 1,730 1,732 1,734 1,735 40,737 12,739 25,740 1,741 42,742 15,743 8,746 1,748 3,749 4,754 1,757 2,760 2,762 9,763 6,767 1,772 1,776 1,779 1,780 1,783 17,784 7,785 3,786 8,787 1,792 4,797 0.667,798 3,809 2,812 1,815 1,816 2,820 1,838 1,841 1,843 2,846 1,847 2,851 23,857 2,858 3,860 1,863 1,864 1,873 1,874 7.5,876 2,877 1,881 12.833,882 7.726,883 5.056,884 2.332,886 2.448,887 1.347,888 0.932,889 4.449,890 9.5,891 3.481,892 4.135,893 4.781,894 5.404,895 6.006,896 6.451,897 6.858,898 7.238,899 7.593,900 7.552,901 1,902 41,903 8.532,905 3.732,906 7.996,907 15.925,909 13.216,911 2.496,912 57.417,916 164.795,917 49.967,918 100.66,920 110.512,923 95.921,924 275.307,925 54.706,926 17.222,927 6.746,928 18.011,929 156.764,930 25.886,931 2.328,932 153.024,933 45.954,934 164.795,935 104.673,936 110.512,938 45.954,939 142.969,940 134.054,943 42.629,944 26.758,945 33.571,946 45.954,947 164.795,948 165.218,949 95.921,952 164.795,953 23.698,954 29.393,955 63.965,956 144.083,957 164.795,958 165.218,959 95.921,961 0.597,962 0.372,963 0.198,964 0.101,965 19,966 10,967 0.071,968 3,969 1,970 1.133,971 3.305,972 192.413,973 0.133,974 15,975 104.042,981 16.43,982 6.227,983 2.774,984 0.709,985 165.218,986 1.143,987 8.656,991 1.725,993 103.377,994 425.935,995 31.5,1000 11.16,1004 -1.215,1007 40.803,1008 45.369,1009 0.338,1010 0.736,1011 0.899,1012 0.927,1013 0.927,1014 0.927,1015 4.76,1016 1.16,1017 5.746,1018 3.592,1019 4.317,1020 4.82,1021 1.858,1022 6.64,1023 4.197,1024 6.002,1025 0.73,1026 7.37,1027 2.853,1028 4.111,1029 4.89,1030 0.325,1031 7.708,1032 3.929,1033 7.35,1034 0.373,1035 9.091,1036 1.728,1037 5.999,1038 7.123,1039 2.306,1040 10.846,1041 5.784,1042 8.735,1043 0.277,1044 10.867,1045 0.842,1046 6.581,1047 8.003,1048 0.268,1049 12.697,1050 6.303,1051 10.153,1052 -0.154,1053 12.677,1054 0.444,1055 7.985,1056 9.785,1057 2.937,1058 15.384,1059 7.677,1060 11.593,1061 -0.198,1062 14.511,1063 -0.366,1064 8.901,1065 11.021,1066 0.188,1067 17.562,1068 8.536,1069 13.051,1070 -0.919,1071 16.361,1072 -0.546,1073 10.143,1074 12.646,1075 3.623,1076 20.096,1077 9.742,1078 3.321,1079 -1,1080 18.225,1081 -2,1082 11.204,1083 14.046,1084 0.125,1085 22.421,1086 10.751,1087 2.957,1088 11.77,1089 20.099,1090 -2.589,1091 12.393,1092 15.614,1093 4.331,1094 24.899,1095 11.901,1096 2.638,1097 10.036,1098 21.981,1099 4.69,1100 13.518,1101 17.09,1102 0.082,1103 27.293,1104 12.978,1105 2.309,1106 8.451,1107 23.872,1108 3.763,1109 14.695,1110 18.638,1111 5.048,1112 29.752,1113 14.112,1114 2.12,1115 7.159,1116 25.768,1117 3.199,1118 15.85,1119 20.149,1120 0.054,1121 32.178,1122 15.222,1123 1.725,1124 6.433,1125 27.669,1126 2.974,1127 17.026,1128 21.691,1129 5.769,1130 34.633,1131 16.355,1132 1.345,1133 4.94,1134 29.575,1135 2.551,1136 18.196,1137 23.219,1138 0.035,1139 37.075,1140 17.481,1141 4871,1142 8981,1143 15.838,1144 27.068,1145 37.86,1146 39.41,1147 40.954,1148 37.982,1149 37.912,1150 47.925,1151 5.273,1152 116.494,1153 35.324,1154 5.635,1155 5.643,1156 6.546,1157 5.345,1158 5.321,1159 7.69,1160 2.873,1161 19.484,1162 5.134,1163 14.292,1164 1.514,1165 1.576,1166 1.638,1167 1.519,1168 1.516,1169 1.917,1170 0.211,1171 4.66,1172 1.413,1173 4.091,1174 4.119,1175 6.88,1176 3.999,1177 7.475,1178 4.008,1179 3.838,1180 3.899,1181 4.029,1182 3.677,1183 6.468,1184 3.682,1185 3.559,1186 3.578,1187 3.734,1188 3.451,1189 6.35,1190 3.446,1191 3.294,1192 3.401,1193 3.45,1194 3.029,1195 4.994,1196 3.03,1197 3.186,1198 3.242,1199 3.111,1200 2.925,1201 4.474,1202 2.955,1203 3.047,1204 3.073,1205 3.057,1206 2.861,1207 4.326,1208 2.847,1209 2.836,1210 2.939,1211 2.901,1212 2.628,1213 4.058,1214 2.59,1215 2.821,1216 2.876,1217 2.661,1218 2.533,1219 3.894,1220 2.551,1221 0.189,1222 0.146,1223 0.28,1224 0.171,1225 0.133,1226 4.736,1227 0.188,1228 3.643,1229 0.057,1230 6.99,1231 0.471,1232 4.277,1233 0.127,1234 3.321,1235 4.69,1236 1.437,1237 11.77,1238 3.175,1239 2.005,1240 1.988,1241 2.029,1242 2.117,1243 1.217,1244 2.096,1245 1.632,1246 1.562,1247 1.876,1248 1.85,1249 1.214,1250 1.863,1251 1.556,1252 1.527,1253 1.701,1254 1.749,1255 0.968,1256 1.735,1257 1.376,1258 1.306,1259 1.627,1260 1.591,1261 0.705,1262 1.606,1263 1.166,1264 1.059,1265 1.545,1266 1.442,1267 0.625,1268 1.485,1269 1.064,1270 1.008,1271 1.27,1272 1.376,1273 0.372,1274 1.342,1275 0.833,1276 0.814,1277 0.964,1278 1.138,1279 0.075,1280 1.098,1281 0.703,1282 0.649,1283 0.897,1284 1.059,1286 1.022,1287 3.932,1289 5.293,1290 2.398,1291 6.858,1292 4.595,1293 8.52,1294 6.581,1295 10.239,1296 3.538,1297 3.756,1302 19.378,1303 2.742,1305 3.258,1308 0.412,1309 2.154,1314 25.943,1315 72.032,1316 156.771,1317 191.367,1318 197.367,1319 197.367,1320 197.367,1321 48.536,1322 7.052,1323 98.58,1324 98.58,1325 17,1326 12.617,1327 3.7,1328 2.907,1329 36.712,1330 75,1331 77,1332 0.267,1333 165.991,1334 282.99,1335 396.777,1336 9049,1337 2.5,1338 16.723,1339 0.727,1340 0.625,1341 17.723,1342 14.384,1343 10.935,1344 0.437,1345 0.322,1346 7.187,1347 9.923,1348 6.935,1349 5.729,1350 11.512,1351 8.062,1352 10.147,1353 0.274,1354 0.173,1355 10.814,1356 6.412,1357 9.005,1358 0.173,1359 0.1,1360 9.959,1361 5.22,1362 7.5,1363 0.109,1364 0.05,1365 8.13,1366 3.441,1367 5.491,1368 0.065,1369 0.026,1370 6.173,1371 2.189,1372 0.403,1373 77.707,1374 0.251,1375 22.009,1376 0.781,1377 124,1378 397.958,1379 204.09,1380 417.994,1381 552.09,1382 386,1383 151,1384 375.656,1385 207.12,1386 392.175,1387 582.46,1388 367,1389 5.1}
{0 CHEMBL2004692,1 1.875,2 9.815,3 2.77,4 7.674,5 105.144,6 9.755,7 0.7,8 3.842,9 3.952,10 3.67,11 3.389,12 5.184,13 3.399,14 4.242,15 4.364,16 3.999,17 3.738,18 5.535,19 3.731,20 4.371,21 4.538,22 3.924,23 3.682,24 5.702,25 3.675,26 4.407,27 4.586,28 3.989,29 3.636,30 5.768,31 3.687,32 4.398,33 4.565,34 3.998,35 3.667,36 5.772,37 3.72,38 4.411,39 4.566,40 3.984,41 3.658,42 5.839,43 3.702,44 4.437,45 4.613,46 3.901,47 3.56,48 5.939,49 3.592,50 4.264,51 4.47,52 3.617,53 3.431,54 5.517,55 3.39,56 0.247,57 0.704,58 4.571,59 2.926,60 13.107,61 2.744,62 0.31,63 1.039,64 8.55,65 4.93,66 17.819,67 4.737,68 0.507,69 1.079,70 14.879,71 5.669,72 38.427,73 6.094,74 0.579,75 1.103,76 12.465,77 4.58,78 34.002,79 4.86,80 0.508,81 1.112,82 12.12,83 4.567,84 35.143,85 4.115,86 0.508,87 1.073,88 11.25,89 4.735,90 37.228,91 3.918,92 0.757,93 1.023,94 13.983,95 4.861,96 67.737,97 4.273,98 0.596,99 0.869,100 14.526,101 4.646,102 56.299,103 4.303,104 5,105 41,106 0.325,107 0.663,108 0.781,109 0.86,110 0.872,111 0.872,112 3.34,113 0.858,114 -4.46,115 -4.39,116 -4.13,119 41,142 7,143 1,146 1,147 2,151 1,152 2,155 1,158 1,163 1,164 1,165 1,166 4,168 1,172 7,174 3,175 1,177 1,178 2,183 8,187 5,188 6,190 3,191 4,196 3,199 6,200 9,202 1,203 3,205 3,212 4,213 12,215 1,216 1,218 4,223 1,224 1,225 14,228 1,230 4,235 2,237 3,238 11,240 1,241 3,242 1,243 3,245 1,248 2,249 2,250 8,252 1,253 1,255 1,258 2,260 1,264 2,272 5,276 1254,277 18.673,278 18.673,279 18.673,280 18.673,281 18.673,282 15.856,283 12.198,284 11.253,285 19.116,286 14.826,287 14.826,288 14.826,289 14.826,290 14.826,291 10.691,292 8.953,293 5.327,294 15.533,295 3.411,296 1.46,297 0.78,298 0.327,299 0.256,300 0.256,301 4.036,304 1,305 1,306 1,307 581,308 3.082,311 239.865,312 82.072,319 1.553,320 25.356,323 1,324 0.83,325 1,326 0.4,328 0.83,329 0.5,330 0.65,331 60,332 265,333 4.651,334 3.615,335 7.009,336 4.26,337 3.297,338 4.386,339 0.98,340 11.974,341 3.177,342 4.17,343 3.223,344 6.283,345 3.76,346 2.801,347 3.774,349 9.299,350 2.677,351 3.967,352 2.74,353 5.691,354 3.474,355 2.548,356 3.542,358 7.432,359 2.44,360 3.82,361 2.615,362 5.352,363 3.411,364 2.432,365 3.305,367 6.993,368 2.276,369 3.474,370 2.18,371 5.1,372 3.018,373 2.045,374 2.792,376 5.757,377 1.983,378 3.007,379 1.8,380 4.394,381 2.511,382 1.549,383 2.127,385 3.956,386 1.494,387 2.924,388 1.699,389 3.905,390 2.434,391 1.462,392 2.086,394 3.225,395 1.41,396 2.713,397 1.451,398 3.74,399 2.21,400 1.254,401 1.748,403 2.861,404 1.188,405 2.561,406 1.202,407 3.537,408 2.102,409 1.132,410 1.585,412 2.561,413 1.096,414 2.5,415 1.077,416 3.436,417 2,418 1,419 1.5,421 2.136,422 1,423 2.371,424 1,425 3.393,426 1.867,427 0.897,428 1.267,430 2.116,431 0.864,432 2.277,433 0.855,434 3.247,435 1.743,436 0.765,437 1.137,439 2,440 0.744,441 2.176,442 0.74,443 3.061,444 1.587,445 0.618,446 0.946,448 1.52,449 0.593,450 2.118,451 0.618,452 3,453 1.463,454 0.618,455 0.927,457 1.372,458 0.506,459 1.138,460 0.434,461 2.572,462 0.711,463 -0.262,464 -0.336,466 -0.611,467 -0.252,468 12.7,469 0.47,470 0.521,471 0.019,472 39.25,473 1.454,474 21.5,475 0.796,476 17.75,477 0.657,478 17.669,479 0.654,480 27.5,481 0.705,482 29.472,483 1.092,484 8.125,485 0.301,486 5.112,487 0.189,488 0.058,490 0.307,496 0.594,497 0.862,498 0.646,499 0.726,500 0.667,501 0.709,502 0.654,503 1.147,504 0.849,505 1.064,506 0.636,507 0.96,508 0.605,509 1.084,510 1.014,511 1.174,512 0.8,513 1.076,514 0.947,515 1.011,516 0.625,517 0.754,518 0.866,519 0.8,520 1.229,521 1.105,522 0.82,523 0.835,524 1.201,525 0.809,526 1.437,527 1.221,528 0.873,529 0.995,530 1.627,531 1.001,532 1.476,533 0.934,534 0.97,535 0.831,536 1.721,537 0.969,538 1.537,539 0.821,540 1.155,541 0.8,542 1.704,543 0.98,544 3.5,545 0.07,546 2.889,547 1.688,548 1.341,549 0.889,550 0.531,551 0.313,552 0.181,553 0.106,554 8883,555 30495,556 2.142,557 30.8,559 7,560 1,561 1,562 3,567 1.706,568 2.051,569 3.241,570 1.091,571 1,572 1,577 73.111,578 1.875,579 3.826,580 4.506,581 4.958,582 5.029,583 5.029,584 2.661,585 4.459,586 4.721,587 3.467,588 1216.76,589 8.226,590 15596.2,591 1,592 1,594 1,595 206.131,596 1.218,597 4.706,598 0.117,599 0.004,600 0.07,601 0.044,602 0.033,603 0.021,604 0.014,605 0.009,606 0.008,607 0.005,608 0.325,609 0.17,610 1,611 0.454,612 132.879,613 0.186,614 0.259,615 0.044,616 0.16,617 -0.055,618 0.071,619 0.087,620 -0.062,621 -0.02,622 -0.092,623 0.01,624 -0.102,625 0.291,626 -0.078,627 -0.07,628 -0.205,629 0.156,630 -0.131,631 0.113,632 -0.013,633 0.108,634 0.009,635 0.112,636 0.055,637 -0.176,638 -0.069,639 -0.06,640 -0.037,641 -0.085,642 0.01,643 -0.285,644 -0.224,645 -0.107,646 -0.176,647 -0.151,648 -0.169,649 -0.08,650 0.01,651 -0.096,652 0.01,653 0.003,654 -0.093,655 -0.325,656 0.098,657 -0.104,658 0.17,659 -0.386,660 0.026,661 2.192,662 5.607,663 0.778,664 25.572,665 1.034,666 1.132,667 3.229,668 10.428,669 0.721,670 3.434,671 3.738,672 4.043,673 4.331,674 4.431,675 4.554,676 4.673,677 4.745,678 4.771,679 4.727,680 6.169,681 0.714,682 380.43,683 3.434,684 4.963,685 5.82,686 6.698,687 7.577,688 8.467,689 9.357,690 10.255,691 11.151,692 12.053,693 20.5,697 1,700 1,701 1,702 1,703 4,709 8,710 4,712 1,713 1,714 6,715 1,716 21,727 1,735 39,737 23,738 1,739 30,741 42,742 16,743 14,744 1,745 5,746 2,748 4,749 4,751 1,762 16,767 2,772 1,774 1,775 1,776 1,779 1,780 1,783 12,784 9,785 3,786 11,787 1,792 8,797 1,798 2,815 3,816 1,843 4,845 1,851 27,852 1,860 1,869 1,871 1,874 5.1,877 1,879 1,881 13.167,882 7.033,883 6,884 2.048,886 3.333,887 1.462,888 1.011,889 4.937,890 10.551,891 3.773,892 4.373,893 4.996,894 5.609,895 5.937,896 6.326,897 6.733,898 7.11,899 7.424,900 7.63,901 1,902 38,903 9.854,905 4.209,906 7.926,907 18.163,909 14.424,911 2.426,912 65.5,916 105.94,917 133.726,918 141.622,920 35.106,922 31.278,923 102.448,924 141.046,925 141.622,927 17.888,928 106.88,929 123.065,930 34.343,931 20.542,932 113.675,934 105.94,935 244.07,936 35.106,937 31.278,939 105.94,940 35.106,943 39.085,944 123.541,945 81.444,946 31.278,947 105.94,948 176.728,949 133.726,952 105.94,953 50.696,954 84.807,955 17.888,956 157.063,957 105.94,958 176.728,959 133.726,961 0.572,962 0.342,963 0.194,964 0.093,965 20,966 8,967 0.119,968 5,970 1,971 3.932,972 233.991,974 21,975 124.382,977 1,981 17.366,982 7.676,983 3.592,985 174.951,986 14.819,987 15.229,989 4.63,990 1.502,991 2.219,992 1.305,993 50.785,994 416.393,995 42.5,1000 12.607,1002 1.55,1003 3.952,1004 -0.525,1007 40.313,1008 44.156,1009 0.355,1010 0.724,1011 0.852,1012 0.938,1013 0.951,1014 0.951,1015 4.978,1016 1.254,1017 5.784,1018 3.225,1019 4.419,1020 5.059,1021 1.072,1022 6.603,1023 4.333,1024 6.184,1025 1.132,1026 7.34,1027 2.861,1028 3.892,1029 4.677,1031 7.557,1032 3.763,1033 7.481,1034 1,1035 9.008,1036 2.561,1037 5.999,1038 7.248,1039 1.045,1040 10.722,1041 5.832,1042 8.823,1043 0.897,1044 10.746,1045 2.136,1046 6.415,1047 7.836,1049 12.607,1050 6.198,1051 10.202,1052 0.765,1053 12.532,1054 2.116,1055 7.912,1056 9.735,1057 1.019,1058 15.284,1059 7.667,1060 11.609,1061 0.618,1062 14.352,1063 2,1064 8.744,1065 10.768,1067 17.523,1068 8.452,1069 13.038,1070 0.618,1071 16.195,1072 1.52,1073 10.019,1074 12.399,1075 0.993,1076 20.058,1077 9.7,1078 3.297,1079 -0.262,1080 18.057,1081 1.372,1082 11.039,1083 13.648,1085 22.439,1086 10.678,1087 2.801,1088 11.974,1089 19.933,1090 -0.611,1091 12.238,1092 15.169,1093 0.967,1094 24.931,1095 11.846,1096 2.548,1097 9.299,1098 21.82,1099 4.386,1100 13.343,1101 16.526,1103 27.369,1104 12.913,1105 2.432,1106 7.432,1107 23.716,1108 3.774,1109 14.52,1110 18.005,1111 0.942,1112 29.85,1113 14.058,1114 2.045,1115 6.993,1116 25.619,1117 3.542,1118 15.665,1119 19.415,1121 32.312,1122 15.166,1123 1.549,1124 5.757,1125 27.528,1126 3.305,1127 16.839,1128 20.881,1129 0.917,1130 34.79,1131 16.307,1132 1.462,1133 3.956,1134 29.442,1135 2.792,1136 18.004,1137 22.319,1139 37.263,1140 17.436,1141 8383,1142 15749,1143 20.572,1144 28.125,1145 45.79,1146 46.002,1147 45.763,1148 44.802,1149 44.837,1150 62.244,1151 1.96,1152 126.403,1153 42.897,1154 5.454,1155 5.615,1156 6.811,1157 5.333,1158 5.297,1159 7.386,1160 1.96,1161 19.471,1162 5.177,1163 9.108,1164 1.526,1165 1.533,1166 1.525,1167 1.493,1168 1.495,1169 2.075,1170 0.065,1171 4.213,1172 1.43,1173 4.056,1174 4.102,1175 4.219,1176 3.928,1177 7.43,1178 3.931,1179 3.862,1180 3.876,1181 4.036,1182 3.892,1183 5.443,1184 3.817,1185 3.808,1186 3.847,1187 3.762,1188 3.613,1189 5.028,1190 3.65,1191 3.639,1192 3.682,1193 3.616,1194 3.37,1195 4.849,1196 3.428,1197 3.334,1198 3.417,1199 3.305,1200 3.027,1201 4.809,1202 3.073,1203 2.963,1204 3.008,1205 2.91,1206 2.743,1207 4.705,1208 2.766,1209 2.854,1210 2.931,1211 2.687,1212 2.735,1213 4.47,1214 2.715,1215 2.806,1216 2.925,1217 2.682,1218 2.561,1219 3.696,1220 2.597,1221 0.155,1222 0.121,1223 0.234,1224 0.142,1225 0.11,1226 4.651,1227 0.146,1228 3.615,1229 0.033,1230 7.009,1231 0.399,1232 4.26,1233 0.106,1234 3.297,1235 4.386,1236 0.98,1237 11.974,1238 3.177,1239 1.919,1240 1.893,1241 2.025,1242 2.006,1243 1.118,1244 2.011,1245 1.585,1246 1.552,1247 1.699,1248 1.786,1249 0.753,1250 1.753,1251 1.519,1252 1.478,1253 1.593,1254 1.753,1255 0.683,1256 1.703,1257 1.422,1258 1.389,1259 1.502,1260 1.597,1261 0.609,1262 1.596,1263 1.352,1264 1.333,1265 1.365,1266 1.526,1267 0.38,1268 1.475,1269 1.053,1270 0.984,1271 1.182,1272 1.437,1273 0.218,1274 1.411,1275 0.887,1276 0.828,1277 1.181,1278 1.228,1279 0.14,1280 1.149,1281 0.886,1282 0.821,1283 1.02,1284 1.132,1286 1.107,1287 4.111,1289 5.416,1290 3.434,1291 6.905,1292 5.687,1293 8.483,1294 7.687,1295 10.117,1301 5.76,1305 2.451,1314 27.842,1315 73.111,1316 149.195,1317 175.724,1318 193.376,1319 196.131,1320 196.131,1321 41.797,1322 7.218,1323 137.11,1324 165.35,1325 21,1326 12.576,1327 4.585,1328 3.755,1329 40.001,1330 94,1331 109,1332 0.198,1333 175.951,1334 287.37,1335 421.08,1336 12131,1338 18.64,1339 0.69,1340 0.537,1341 18.993,1342 14.498,1343 13.237,1344 0.441,1345 0.286,1346 7.624,1347 12.026,1348 7.455,1349 6.204,1350 13.691,1351 8.582,1352 11.511,1353 0.281,1354 0.152,1355 12.121,1356 6.231,1357 9.972,1358 0.178,1359 0.077,1360 10.607,1361 4.337,1362 8.521,1363 0.114,1364 0.039,1365 9.098,1366 2.933,1367 5.927,1368 0.071,1369 0.018,1370 6.173,1371 1.512,1372 0.306,1373 89.138,1374 0.22,1375 25.82,1376 0.56,1377 142,1378 507.847,1379 183.363,1380 512.051,1381 702.32,1382 476,1383 168,1384 531.27,1385 207.308,1386 539.502,1387 777.04,1388 505,1389 5.1}
{0 CHEMBL2004716,1 1.564,2 17.385,3 4.543,4 20.642,5 162.121,6 7.435,7 0.524,8 4.363,9 4.495,10 3.95,11 3.931,12 5.469,13 3.882,14 4.87,15 5.055,16 4.289,17 4.307,18 5.954,19 4.228,20 5.105,21 5.318,22 4.355,23 4.449,24 6.121,25 4.35,26 5.196,27 5.417,28 4.388,29 4.487,30 6.221,31 4.362,32 5.247,33 5.5,34 4.266,35 4.421,36 6.27,37 4.283,38 5.107,39 5.359,40 4.246,41 4.289,42 6.185,43 4.19,44 4.969,45 5.176,46 4.137,47 4.241,48 6.103,49 4.151,50 4.966,51 5.185,52 4.065,53 4.242,54 6.048,55 4.111,56 0.062,57 1.096,58 15.755,59 6.569,60 12.154,61 8.719,62 0.363,63 1.717,64 29.43,65 11.185,66 36.306,67 15.044,68 0.363,69 2.063,70 38.084,71 13.752,72 46.538,73 18.571,74 0.283,75 2.208,76 44.823,77 16.105,78 52.849,79 21.68,80 0.495,81 2.201,82 50.563,83 16.688,84 76.37,85 22.175,86 0.505,87 1.925,88 42.994,89 13.523,90 70.448,91 18.506,92 0.351,93 1.712,94 33.996,95 11.721,96 62.37,97 15.676,98 0.397,99 1.697,100 35.675,101 13.282,102 68.747,103 17.315,104 48,105 57,106 0.241,107 0.593,108 0.766,109 0.842,110 0.852,111 0.856,112 3.692,113 0.989,114 -4.47,115 -4.4,116 -4.14,119 41.1,120 3,125 4,135 2,142 8,143 5,144 2,145 1,147 1,151 1,152 1,158 1,159 1,163 1,164 1,165 1,172 13,175 5,177 1,178 4,179 1,180 6,183 18,185 1,188 3,191 1,193 6,196 13,198 1,200 8,205 11,208 10,210 3,212 1,213 7,218 10,221 6,223 3,224 1,225 8,228 1,230 9,233 9,235 3,238 5,243 3,246 14,250 2,252 1,253 2,254 2,255 3,257 2,258 14,263 1,264 5,269 4,272 10,276 3607,277 26.394,278 26.394,279 26.394,280 26.394,281 26.394,282 23.348,283 29.302,284 15.62,285 26.959,286 20.596,287 20.596,288 20.596,289 20.596,290 20.596,291 15.903,292 37.713,293 7.27,294 21.392,295 4.626,296 2.341,297 1.219,298 0.726,299 0.661,300 0.634,301 4.385,306 1,307 1427,308 4.743,311 98.919,312 404.817,315 187.414,319 3.266,320 32.126,323 0.75,324 0.67,325 0.67,326 0.7,327 0.5,328 0.67,329 0.5,330 0.64,331 83,332 678,333 4.725,334 3.563,335 6.972,336 4.252,337 3.286,338 4.705,339 1.656,340 11.822,341 3.176,342 4.127,343 3.457,344 6.079,345 3.737,346 2.762,347 3.729,348 1.058,349 8.76,350 2.691,351 4.063,352 3.296,353 5.63,354 3.663,355 2.678,356 3.659,357 0.8,358 7.806,359 2.633,360 3.86,361 2.781,362 5.537,363 3.479,364 2.498,365 3.289,366 0.247,367 7.25,368 2.451,369 3.717,370 2.749,371 5.374,372 3.4,373 2.455,374 3.003,376 6.783,377 2.348,378 3.567,379 2.702,380 5.275,381 3.307,382 2.331,383 2.871,385 6.655,386 2.222,387 3.465,388 2.427,389 5.024,390 3.163,391 2.185,392 2.77,394 6.023,395 2.135,396 3.43,397 2.25,398 4.903,399 3.05,400 2.088,401 2.505,403 5.71,404 2.005,405 3.23,406 2.136,407 4.706,408 2.773,409 1.817,410 2.433,412 4.947,413 1.741,414 3.119,415 1.816,416 4.503,417 2.647,418 1.678,419 2.307,421 4.586,422 1.592,423 2.659,424 1.559,425 4.181,426 2.185,427 1.218,428 1.731,430 3.23,431 1.18,432 2.606,433 1.24,434 3.678,435 2.174,436 1.182,437 1.612,439 2.586,440 1.163,441 2.524,442 1.166,443 3.479,444 2.045,445 1.085,446 1.5,448 2.566,449 1.03,450 2.5,451 1.018,452 3.427,453 2,454 1,455 1.447,457 2.275,458 1,459 2.248,460 1,461 3.414,462 1.795,463 0.909,464 1.183,466 2.244,467 0.785,468 18.9,469 0.485,470 0.886,471 0.023,472 50.5,473 1.295,474 26,475 0.667,476 24.5,477 0.628,478 35.767,479 0.917,480 41.7,481 0.571,482 42.299,483 1.085,484 9.972,485 0.256,486 8.9,487 0.228,488 0.136,490 0.312,496 0.844,497 1.233,498 0.815,499 0.96,500 0.684,501 0.931,502 0.647,503 0.997,504 0.874,505 0.922,506 0.48,507 0.91,508 1.123,509 0.942,510 0.932,511 0.865,512 0.944,513 0.926,514 0.895,515 1.22,516 1.012,517 1.161,518 0.891,519 1.08,520 1.17,521 1.011,522 1.109,523 1.026,524 1.167,525 0.946,526 1.17,527 0.888,528 0.873,529 0.852,530 1.219,531 0.784,532 1.517,533 1.061,534 1.022,535 0.992,536 1.723,537 1.012,538 1.026,539 1.006,540 1.105,541 1.108,542 1.255,543 1.081,544 8,545 0.231,546 4,547 2.528,548 1.984,549 1.337,550 0.814,551 0.536,552 0.413,553 0.383,554 27413,555 68020,556 2.037,557 46.6,558 3,559 18,560 1,561 1,562 5,564 6,567 1.79,568 1.902,569 4.037,570 2.161,577 114.167,578 1.564,579 3.849,580 4.97,581 5.464,582 5.529,583 5.556,584 3.526,585 5.029,586 5.247,587 4.279,588 3170.5,589 9.234,590 58247.5,595 451.857,596 1.42,597 5.213,598 0.19,599 0.006,600 0.07,601 0.043,602 0.035,603 0.026,604 0.016,605 0.011,606 0.01,607 0.009,608 0.416,610 0.88,611 1.719,612 224.351,613 -0.077,614 -0.043,615 0.046,616 0.047,617 -0.088,618 0.041,619 0.203,620 0.121,621 0.076,622 0.087,623 0.153,624 0.066,625 -0.132,626 0.118,627 0.006,628 0.104,629 -0.066,630 0.041,631 -0.001,632 -0.209,633 0.027,634 -0.109,635 0.02,636 -0.074,637 -0.046,638 -0.032,639 0.003,640 0.011,641 -0.011,642 0.042,643 0.037,644 0.098,645 0.165,646 0.124,647 0.035,648 0.183,649 -0.193,650 -0.048,651 -0.082,652 -0.035,653 -0.183,654 -0.056,655 0.041,656 -0.02,657 -0.079,658 -0.068,659 -0.025,660 -0.081,661 1.976,662 5.407,663 0.538,664 66.447,665 0.996,666 1.125,667 3.238,668 10.484,669 0.675,670 3.761,671 4.06,672 4.304,673 4.554,674 4.745,675 4.844,676 4.963,677 5.136,678 5.204,679 5.308,680 10.094,681 0.632,682 542.77,683 3.761,684 5.293,685 6.129,686 6.997,687 7.852,688 8.729,689 9.597,690 10.482,691 11.359,692 12.25,693 8.2,696 1,697 1,700 3,703 1,708 2,709 10,710 1,713 1,714 7,716 22,727 1,735 73,737 25,738 2,739 42,741 76,742 30,743 19,744 4,745 8,746 3,748 4,749 5,753 1,754 3,762 23,763 7,767 3,772 2,774 2,776 2,783 34,784 8,785 5,786 9,787 1,792 6,797 0.75,798 2,809 1,815 1,816 3,819 1,829 1,834 2,839 1,843 3,845 1,847 3,851 39,852 1,858 4,860 3,864 1,869 1,874 2.7,877 2,881 20.5,882 13.733,883 8.806,884 4.486,886 4.77,887 1.566,888 0.989,889 9.959,890 13.201,891 4.043,892 4.627,893 5.21,894 5.824,895 6.369,896 6.734,897 7.18,898 7.677,899 7.995,900 8.36,901 0.917,902 59,903 14.41,905 5.979,906 7.722,907 27.569,909 22.062,911 2.222,912 86.667,916 341.362,917 210.518,918 106.839,920 50.29,922 31.278,923 179.24,924 391.652,925 106.839,926 26.476,927 62.455,928 135.309,929 83.551,930 33,931 19.121,932 349.097,934 341.362,935 286.08,936 50.29,937 31.278,939 270.735,940 120.916,943 101.102,944 149.239,945 35.738,946 31.278,947 341.362,948 157.129,949 210.518,952 341.362,953 72.583,954 141.059,955 54.032,956 99.973,957 341.362,958 157.129,959 210.518,961 0.572,962 0.332,963 0.174,964 0.09,965 24,966 12,967 0.132,968 10,969 1,970 1.095,971 4.993,972 360.823,973 0.095,974 21,975 194.131,977 1,981 28.589,982 13.586,983 7.584,984 1.811,985 157.129,986 18.943,987 4.384,990 1.557,991 5.65,993 86.929,994 709.009,995 56,1000 24.744,1002 3.318,1004 -0.449,1007 72.712,1008 82.141,1009 0.253,1010 0.622,1011 0.803,1012 0.883,1013 0.893,1014 0.898,1015 5.265,1016 2.088,1017 6.103,1018 6.023,1019 4.745,1020 5.316,1021 2.197,1022 6.887,1023 4.675,1024 6.468,1025 1.817,1026 7.644,1027 5.71,1028 4.29,1029 5.112,1030 1.305,1031 7.761,1032 4.213,1033 7.768,1034 1.678,1035 9.285,1036 4.947,1037 6.312,1038 7.522,1039 2.65,1040 10.858,1041 6.182,1042 9.105,1043 1.218,1044 10.985,1045 4.586,1046 6.673,1047 8.179,1048 2.354,1049 12.627,1050 6.526,1051 10.475,1052 1.182,1053 12.727,1054 3.23,1055 8.153,1056 10.062,1057 3.357,1058 15.276,1059 7.967,1060 11.869,1061 1.085,1062 14.501,1063 2.586,1064 8.91,1065 11.156,1066 3.414,1067 17.451,1068 8.697,1069 13.285,1070 1,1071 16.3,1072 2.566,1073 10.177,1074 12.826,1075 4.206,1076 19.966,1077 9.931,1078 3.286,1079 0.909,1080 18.121,1081 2.275,1082 11.138,1083 14.15,1084 4.466,1085 22.316,1086 10.859,1087 2.762,1088 11.822,1089 19.96,1090 2.244,1091 12.325,1092 15.733,1093 5.133,1094 24.794,1095 12.014,1096 2.678,1097 8.76,1098 21.816,1099 4.705,1100 13.392,1101 17.172,1102 5.504,1103 27.215,1104 13.044,1105 2.498,1106 7.806,1107 23.684,1108 3.729,1109 14.556,1110 18.725,1111 6.1,1112 29.684,1113 14.176,1114 2.455,1115 7.25,1116 25.565,1117 3.659,1118 15.676,1119 20.219,1120 6.531,1121 32.134,1122 15.26,1123 2.331,1124 6.783,1125 27.456,1126 3.289,1127 16.839,1128 21.762,1129 7.087,1130 34.601,1131 16.388,1132 2.185,1133 6.655,1134 29.354,1135 3.003,1136 17.988,1137 23.284,1138 7.551,1139 37.062,1140 17.501,1141 26571,1142 42149,1143 27.739,1144 49.25,1145 61.827,1146 63.231,1147 64.128,1148 61.024,1149 61.164,1150 80.847,1151 7.523,1152 171.574,1153 58.958,1154 5.628,1155 5.563,1156 6.59,1157 5.359,1158 5.286,1159 7.705,1160 2.912,1161 19.204,1162 5.176,1163 22.029,1164 1.472,1165 1.506,1166 1.527,1167 1.453,1168 1.456,1169 1.925,1170 0.179,1171 4.085,1172 1.404,1173 4.123,1174 4.135,1175 4.341,1176 4.129,1177 7.433,1178 4.088,1179 3.935,1180 3.969,1181 3.885,1182 3.862,1183 7.428,1184 3.858,1185 3.852,1186 3.885,1187 3.806,1188 3.788,1189 5.186,1190 3.782,1191 3.776,1192 3.85,1193 3.678,1194 3.579,1195 4.792,1196 3.586,1197 3.61,1198 3.656,1199 3.548,1200 3.464,1201 4.744,1202 3.461,1203 3.445,1204 3.496,1205 3.424,1206 3.223,1207 4.626,1208 3.24,1209 3.332,1210 3.407,1211 3.38,1212 3.145,1213 4.349,1214 3.157,1215 3.306,1216 3.398,1217 3.155,1218 3.123,1219 4.275,1220 3.089,1221 0.112,1222 0.085,1223 0.166,1224 0.101,1225 0.078,1226 4.725,1227 0.112,1228 3.563,1229 0.039,1230 6.972,1231 0.281,1232 4.252,1233 0.076,1234 3.286,1235 4.705,1236 1.656,1237 11.822,1238 3.176,1239 1.967,1240 1.947,1241 2.045,1242 2.051,1243 1.217,1244 2.049,1245 1.914,1246 1.884,1247 2.029,1248 2.01,1249 1.185,1250 2.016,1251 1.85,1252 1.83,1253 1.965,1254 1.963,1255 1.131,1256 1.969,1257 1.717,1258 1.641,1259 1.908,1260 1.929,1261 1.048,1262 1.935,1263 1.536,1264 1.495,1265 1.732,1266 1.756,1267 0.932,1268 1.747,1269 1.408,1270 1.378,1271 1.725,1272 1.618,1273 0.869,1274 1.638,1275 1.351,1276 1.256,1277 1.584,1278 1.584,1279 0.691,1280 1.6,1281 1.297,1282 1.232,1283 1.556,1284 1.525,1285 0.614,1286 1.541,1287 4.443,1289 5.746,1290 2.398,1291 7.235,1292 4.727,1293 8.813,1294 6.88,1295 10.443,1297 6.193,1301 6.286,1303 3.337,1305 8.636,1309 2.257,1314 46.12,1315 114.167,1316 280.986,1317 362.838,1318 398.838,1319 403.593,1320 405.593,1321 79.494,1322 8.431,1323 112.38,1324 140.62,1325 23,1326 12.782,1327 4.7,1328 3.907,1329 70.812,1330 231,1331 242,1332 0.145,1333 290.8,1334 502.29,1335 701.312,1336 66686,1338 27.777,1339 0.712,1340 0.597,1341 28.131,1342 23.27,1343 18.872,1344 0.449,1345 0.33,1346 12.904,1347 17.855,1348 12.427,1349 10.407,1350 19.326,1351 13.845,1352 16.588,1353 0.291,1354 0.176,1355 17.113,1356 10.009,1357 13.585,1358 0.186,1359 0.102,1360 14.304,1361 7.447,1362 11.228,1363 0.119,1364 0.057,1365 12.17,1366 5.348,1367 8.537,1368 0.075,1369 0.029,1370 9.356,1371 3.284,1372 0.237,1373 121.552,1374 0.19,1375 36.223,1376 0.371,1377 198,1378 539.933,1379 235.59,1380 554.365,1381 758.59,1382 518,1383 229,1384 543.292,1385 264.222,1386 570.026,1387 827.88,1388 536,1389 6.4}
{0 CHEMBL2004771,1 1.514,2 11.038,3 3.927,4 15.424,5 97.851,6 8.327,7 0.733,8 3.858,9 3.955,10 3.535,11 3.482,12 5.022,13 3.482,14 4.348,15 4.467,16 3.923,17 3.884,18 5.536,19 3.866,20 4.558,21 4.728,22 3.898,23 3.948,24 5.657,25 3.904,26 4.54,27 4.719,28 3.774,29 3.867,30 5.643,31 3.809,32 4.475,33 4.682,34 3.624,35 3.758,36 5.522,37 3.685,38 4.379,39 4.6,40 3.477,41 3.661,42 5.394,43 3.572,44 4.199,45 4.416,46 3.322,47 3.483,48 5.248,49 3.396,50 4.033,51 4.245,52 3.197,53 3.296,54 5.084,55 3.225,56 0.038,57 0.57,58 6.439,59 3.335,60 5.588,61 3.781,62 0.22,63 0.935,64 11.591,65 5.668,66 16.367,67 6.76,68 0.176,69 1.125,70 17.315,71 7.583,72 24.944,73 9.098,74 0.218,75 1.107,76 17.533,77 7.382,78 32.444,79 8.693,80 0.232,81 1.046,82 17.781,83 7.074,84 29.18,85 8.677,86 0.204,87 0.943,88 16.705,89 6.691,90 26.914,91 8.5,92 0.144,93 0.779,94 13.772,95 5.676,96 23.936,97 7.28,98 0.152,99 0.675,100 11.521,101 4.603,102 20.978,103 5.769,104 2,105 43,106 0.26,107 0.564,108 0.689,109 0.832,110 0.877,111 0.877,112 3.304,113 0.841,114 -4.64,115 -4.56,116 -4.29,119 51.2,125 1,142 11,143 4,144 1,146 1,152 1,158 1,162 1,172 14,174 1,175 3,178 3,180 4,183 16,188 6,193 4,196 14,200 8,205 6,208 9,213 6,218 5,221 6,225 4,230 4,233 6,238 4,243 2,246 8,250 4,254 1,255 1,258 6,264 4,267 1,272 4,276 848,277 18.102,278 18.102,279 18.102,280 18.102,281 18.102,282 15.46,283 17.232,284 10.589,285 18.249,286 14.847,287 14.847,288 14.847,289 14.847,290 14.847,291 10.792,292 27.874,293 5.045,294 15.082,295 3.844,296 2.07,297 1.337,298 0.506,299 0.244,300 0.244,301 4.022,304 1,305 1,306 1,307 657,308 2.345,311 109.817,312 214.678,315 210.376,319 1.808,320 19.254,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 55.5,332 287,333 4.543,334 3.65,335 6.792,336 4.198,337 3.199,338 4.403,339 1.081,340 11.163,341 3.194,342 4.462,343 3.059,344 6.248,345 3.964,346 2.994,347 4.224,348 0.473,349 9.498,350 2.908,351 4.069,352 3.011,353 6.044,354 3.696,355 2.699,356 3.629,357 0.4,358 8.583,359 2.688,360 3.758,361 2.659,362 5.491,363 3.404,364 2.429,365 3.121,367 7.351,368 2.363,369 3.408,370 2.297,371 5.04,372 2.96,373 1.984,374 2.763,376 5.776,377 1.931,378 3.147,379 1.962,380 4.839,381 2.705,382 1.705,383 2.368,385 5.132,386 1.698,387 3.032,388 1.728,389 4.414,390 2.533,391 1.544,392 2.298,394 4.312,395 1.525,396 2.922,397 1.532,398 4.163,399 2.513,400 1.532,401 2.083,403 3.703,404 1.501,405 2.832,406 1.41,407 4.031,408 2.35,409 1.358,410 1.98,412 3.225,413 1.345,414 2.641,415 1.327,416 3.603,417 2.173,418 1.18,419 1.652,421 2.942,422 1.167,423 2.5,424 1.086,425 3.414,426 2,427 1,428 1.5,430 2.275,431 1,432 1.961,433 1,434 3.311,435 1.723,436 0.746,437 0.874,439 1.771,440 0.726,441 1.847,442 0.434,443 3,444 1.322,445 0.347,446 0.521,448 0.86,449 0.338,450 1.361,451 0.347,452 2.929,453 1.026,454 0.064,455 0.08,457 0.169,458 0.062,459 0.983,460 0.148,461 2.502,462 0.585,463 -0.417,464 -0.539,466 -1.089,467 -0.413,468 12.367,469 0.476,470 0.568,471 0.022,472 39.25,473 1.51,474 22,475 0.846,476 17.25,477 0.663,478 16.045,479 0.617,480 25.433,481 0.62,482 26.972,483 1.037,484 7.895,485 0.304,486 4.881,487 0.188,488 0.027,490 0.364,496 0.802,497 1.048,498 0.677,499 0.859,500 0.613,501 0.76,502 0.595,503 0.987,504 0.79,505 0.968,506 0.552,507 0.925,508 1.031,509 1.088,510 0.964,511 1.039,512 0.93,513 1,514 1.214,515 1.151,516 1.148,517 1.119,518 1.183,519 1.124,520 1.126,521 1.012,522 1.101,523 1.003,524 0.892,525 1.034,526 0.954,527 0.929,528 1.047,529 0.963,530 0.862,531 1.005,532 0.874,533 1.024,534 0.998,535 1.039,536 1.118,537 1.04,538 1.003,539 1.017,540 1.028,541 1.035,542 1.161,543 1.036,544 4.5,545 0.121,546 2.889,547 2.049,548 0.893,549 0.747,550 0.487,551 0.174,552 0.17,553 0.12,554 9498,555 25115,556 2.241,557 36.6,559 13,562 2,567 1.684,568 2.167,569 3.424,570 0.213,572 1,577 62.063,578 1.514,579 3.288,580 4.021,581 4.851,582 5.114,583 5.114,584 2.903,585 3.719,586 4.675,587 3.612,588 1173.81,589 8.063,590 14843.8,592 1,594 1,595 219.66,596 1.142,597 4.66,598 0.15,599 0.006,600 0.067,601 0.05,602 0.026,603 0.025,604 0.019,605 0.008,606 0.009,607 0.007,608 0.366,609 0.33,610 0.88,611 0.362,612 128.323,613 -0.069,614 -0.021,615 0.043,616 0.026,617 -0.083,618 0.051,619 0.255,620 0.033,621 -0.002,622 -0.065,623 0.085,624 -0.08,625 -0.09,626 -0.116,627 -0.038,628 -0.078,629 -0.043,630 -0.055,631 -0.167,632 -0.172,633 -0.19,634 -0.159,635 -0.127,636 -0.176,637 -0.144,638 -0.026,639 -0.09,640 -0.022,641 -0.059,642 -0.039,643 -0.093,644 0.035,645 -0.017,646 0.041,647 -0.018,648 0.031,649 -0.037,650 -0.078,651 0.027,652 -0.029,653 -0.031,654 0.002,655 -0.023,656 -0.032,657 0.001,658 -0.05,659 -0.11,660 -0.029,661 1.67,662 4.842,663 0.923,664 22.769,665 1.006,666 1.107,667 3.408,668 11.615,669 0.719,670 3.434,671 3.784,672 4.111,673 4.419,674 4.615,675 4.673,676 4.844,677 4.963,678 4.963,679 5.124,680 6.658,681 0.699,682 341.39,683 3.434,684 4.99,685 5.866,686 6.76,687 7.648,688 8.545,689 9.437,690 10.334,691 11.228,692 12.125,693 7.3,700 1,701 1,703 1,708 2,709 11,710 1,712 1,714 6,716 22,723 1,728 1,735 41,737 23,738 3,739 30,741 45,742 21,743 19,744 7,745 11,746 1,748 5,749 7,762 20,763 1,767 1,772 1,776 1,780 1,783 15,784 5,785 2,786 5,792 3,797 0.6,798 2,802 1,815 2,816 3,819 2,843 3,851 26,858 1,860 2,874 4.9,877 1,879 1,881 12,882 7.45,883 5.556,884 2.419,886 4.448,887 1.557,888 1.083,889 3.506,890 12.44,891 3.761,892 4.422,893 5.074,894 5.709,895 6.242,896 6.524,897 6.993,898 7.408,899 7.628,900 8.078,901 1,902 41,903 9.575,905 4.205,906 7.692,907 18.321,909 15.516,911 2.192,912 57,915 1,916 153.024,917 138.12,918 52.807,920 34.652,923 138.12,924 187.677,925 52.807,927 20.116,928 104.239,929 46.635,930 49.752,931 4.836,932 153.024,934 153.024,935 190.927,936 34.652,939 153.024,940 34.652,943 44.863,944 129.279,945 16.786,947 153.024,948 87.459,949 138.12,952 153.024,953 33.881,954 104.239,955 36.022,956 51.438,957 153.024,958 87.459,959 138.12,961 0.587,962 0.353,963 0.2,964 0.105,965 24,966 9,967 0.067,968 3,969 2,970 1.167,971 3.975,972 228.649,973 0.167,974 24,975 118.211,981 15.175,982 6.007,983 2.684,984 1.576,985 87.459,986 21.51,987 4.421,989 5.691,991 5.32,993 36.022,994 378.603,995 42,1000 11.842,1004 -0.004,1007 41.262,1008 45.405,1009 0.283,1010 0.614,1011 0.75,1012 0.906,1013 0.954,1014 0.954,1015 4.994,1016 1.532,1017 5.849,1018 4.312,1019 4.466,1020 5.109,1021 1.412,1022 6.681,1023 4.436,1024 6.217,1025 1.358,1026 7.414,1027 3.703,1028 4.007,1029 4.902,1031 7.591,1032 3.973,1033 7.535,1034 1.18,1035 9.078,1036 3.225,1037 6.075,1038 7.373,1039 1.356,1040 10.72,1041 6.019,1042 8.892,1043 1,1044 10.803,1045 2.942,1046 6.479,1047 8.025,1049 12.496,1050 6.419,1051 10.281,1052 0.746,1053 12.567,1054 2.275,1055 7.983,1056 9.934,1057 1.44,1058 15.122,1059 7.907,1060 11.695,1061 0.347,1062 14.36,1063 1.771,1064 8.783,1065 10.997,1067 17.249,1068 8.705,1069 13.127,1070 0.064,1071 16.172,1072 0.86,1073 10.061,1074 12.662,1075 1.555,1076 19.712,1077 9.97,1078 3.199,1079 -0.417,1080 18,1081 0.169,1082 11.044,1083 13.93,1085 21.987,1086 10.951,1087 2.994,1088 11.163,1089 19.84,1090 -1.089,1091 12.23,1092 15.484,1093 1.679,1094 24.398,1095 12.129,1096 2.699,1097 9.498,1098 21.69,1099 4.403,1100 13.297,1101 16.851,1103 26.739,1104 13.193,1105 2.429,1106 8.583,1107 23.547,1108 4.224,1109 14.449,1110 18.355,1111 1.807,1112 29.136,1113 14.339,1114 1.984,1115 7.351,1116 25.411,1117 3.629,1118 15.554,1119 19.772,1121 31.508,1122 15.442,1123 1.705,1124 5.776,1125 27.281,1126 3.121,1127 16.696,1128 21.254,1129 1.939,1130 33.905,1131 16.58,1132 1.544,1133 5.132,1134 29.155,1135 2.763,1136 17.82,1137 22.696,1139 36.292,1140 17.703,1141 8543,1142 14026,1143 20.978,1144 29.495,1145 45.845,1146 46.634,1147 46.372,1148 45.505,1149 45.564,1150 62.991,1151 3.907,1152 133.518,1153 44.89,1154 5.384,1155 5.65,1156 6.475,1157 5.248,1158 5.199,1159 7.403,1160 2.162,1161 18.516,1162 5.194,1163 6.701,1164 1.528,1165 1.554,1166 1.546,1167 1.517,1168 1.519,1169 2.1,1170 0.13,1171 4.451,1172 1.496,1173 4.098,1174 4.119,1175 4.065,1176 4.012,1177 7.429,1178 4.016,1179 4.029,1180 4.048,1181 3.992,1182 3.925,1183 5.226,1184 3.941,1185 3.816,1186 3.848,1187 3.757,1188 3.737,1189 4.811,1190 3.737,1191 3.403,1192 3.455,1193 3.331,1194 3.206,1195 4.601,1196 3.23,1197 3.344,1198 3.392,1199 3.255,1200 3.151,1201 4.406,1202 3.173,1203 3.029,1204 3.067,1205 2.942,1206 2.917,1207 4.053,1208 2.919,1209 2.894,1210 2.949,1211 2.776,1212 2.759,1213 3.965,1214 2.754,1215 2.854,1216 2.925,1217 2.695,1218 2.735,1219 3.82,1220 2.715,1221 0.151,1222 0.122,1223 0.226,1224 0.14,1225 0.107,1226 4.543,1227 0.147,1228 3.65,1229 0.036,1230 6.792,1231 0.372,1232 4.198,1233 0.106,1234 3.199,1235 4.403,1236 1.081,1237 11.163,1238 3.194,1239 1.993,1240 1.975,1241 2.076,1242 2.055,1243 1.243,1244 2.063,1245 1.893,1246 1.871,1247 1.993,1248 1.988,1249 1.067,1250 1.989,1251 1.77,1252 1.743,1253 1.881,1254 1.87,1255 0.996,1256 1.872,1257 1.364,1258 1.309,1259 1.574,1260 1.658,1261 0.715,1262 1.629,1263 1.269,1264 1.23,1265 1.368,1266 1.568,1267 0.366,1268 1.51,1269 1.033,1270 1.001,1271 1.197,1272 1.214,1273 0.247,1274 1.213,1275 0.91,1276 0.868,1277 1.181,1278 1.097,1279 0.218,1280 1.107,1281 0.899,1282 0.86,1283 1.127,1284 1.083,1285 0.185,1286 1.102,1287 4.111,1289 5.451,1290 3.045,1291 6.986,1292 5.416,1293 8.606,1294 7.516,1295 10.271,1303 0.577,1305 6.067,1314 28.655,1315 62.063,1316 134.797,1317 164.851,1318 198.905,1319 209.66,1320 209.66,1321 30.92,1322 7.992,1323 67.16,1324 67.16,1325 28,1326 12.649,1327 4.585,1328 3.7,1329 34.19,1330 109,1331 82,1332 0.158,1333 171.417,1334 288,1335 410.017,1336 36062,1338 17.51,1339 0.673,1340 0.532,1341 17.51,1342 13.822,1343 12.776,1344 0.426,1345 0.28,1346 8.316,1347 12.404,1348 8.173,1349 6.738,1350 12.776,1351 8.409,1352 11.636,1353 0.271,1354 0.144,1355 11.636,1356 6.203,1357 10.363,1358 0.173,1359 0.076,1360 10.363,1361 4.587,1362 9.098,1363 0.111,1364 0.04,1365 9.098,1366 3.307,1367 7.321,1368 0.073,1369 0.022,1370 7.321,1371 2.164,1372 0.253,1373 79.32,1374 0.218,1375 25.344,1376 0.422,1377 146,1378 407.782,1379 158.527,1380 399.093,1381 562.84,1382 376,1383 176,1384 432.67,1385 188.363,1386 437.723,1387 647.99,1388 415,1389 5.1}
{0 CHEMBL2004871,1 1.61,2 8.318,3 2.258,4 5.097,5 82.905,6 7.825,7 0.708,8 3.744,9 3.858,10 3.348,11 3.297,12 4.931,13 3.289,14 4.235,15 4.4,16 3.658,17 3.659,18 5.387,19 3.63,20 4.454,21 4.668,22 3.676,23 3.754,24 5.532,25 3.694,26 4.461,27 4.677,28 3.677,29 3.755,30 5.521,31 3.696,32 4.463,33 4.667,34 3.706,35 3.814,36 5.504,37 3.747,38 4.536,39 4.748,40 3.646,41 3.81,42 5.656,43 3.711,44 4.516,45 4.769,46 3.429,47 3.669,48 5.55,49 3.535,50 4.379,51 4.656,52 3.147,53 3.336,54 5.489,55 3.21,56 0.047,57 0.623,58 6.991,59 3.369,60 10.021,61 4.123,62 0.174,63 0.984,64 12.996,65 5.302,66 21.808,67 6.661,68 0.247,69 1.159,70 18.366,71 7.049,72 38.592,73 9.151,74 0.32,75 1.145,76 18.464,77 6.584,78 37.129,79 8.757,80 0.21,81 1.137,82 17.306,83 6.704,84 21.249,85 9.069,86 0.308,87 1.19,88 19.373,89 7.781,90 38.888,91 10.492,92 0.249,93 1.118,94 20.784,95 8.087,96 32.018,97 11.181,98 0.267,99 0.922,100 19.789,101 6.778,102 45.404,103 9.132,104 8,105 32,106 0.288,107 0.629,108 0.789,109 0.834,110 0.834,111 0.834,112 3.148,113 0.89,114 -4.03,115 -3.98,116 -3.77,119 44.7,121 1,125 2,142 6,143 2,144 1,145 2,146 1,152 1,160 1,172 6,174 1,175 5,180 1,183 5,188 7,196 3,200 7,203 1,208 5,212 1,213 2,221 9,224 1,225 1,228 1,230 1,233 6,238 3,243 3,246 2,250 2,255 2,267 1,269 2,276 712,277 15.267,278 15.267,279 15.267,280 15.267,281 15.267,282 13.244,283 7.449,284 9.401,285 15.598,286 11.841,287 11.841,288 11.841,289 11.841,290 11.841,291 8.887,292 4.867,293 4.433,294 12.395,295 3.638,296 1.725,297 0.829,298 0.579,299 0.579,300 0.579,301 3.83,304 1,305 1,306 1,307 387,308 2.449,311 60.697,312 133.454,319 1.256,320 21.448,321 1,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 48,332 183,333 4.589,334 3.259,335 6.906,336 4.197,337 3.233,338 4.313,340 11.611,341 3.12,342 4.006,343 2.901,344 5.876,345 3.588,346 2.611,347 3.603,349 8.121,350 2.551,351 3.706,352 2.466,353 5.243,354 3.24,355 2.282,356 3.232,358 6.394,359 2.174,360 3.48,361 2.306,362 5.034,363 3.094,364 2.159,365 2.789,367 6.012,368 2.004,369 2.944,370 1.775,371 4.417,372 2.557,373 1.603,374 2.116,376 4.013,377 1.523,378 2.774,379 1.513,380 3.88,381 2.346,382 1.414,383 1.868,385 3.175,386 1.314,387 2.5,388 1.371,389 3.438,390 2.129,391 1.195,392 1.5,394 2.493,395 1.109,396 2.5,397 1,398 3.427,399 2,400 1,401 1.5,403 2.275,404 1,405 2.399,406 1,407 3.414,408 1.984,409 1,410 1.389,412 2.136,413 0.983,414 2.289,415 0.817,416 3.247,417 1.734,418 0.802,419 1.189,421 2.042,422 0.746,423 1.386,424 0.593,425 2.705,426 1.183,427 0.273,428 0.296,430 0.467,431 0.246,432 1.112,433 0.309,434 2.295,435 0.743,436 -0.172,437 -0.209,439 -0.36,440 -0.152,441 0.776,442 -0.351,443 2.211,444 0.38,445 -0.557,446 -0.678,448 -1.209,449 -0.513,450 0.5,451 -0.789,452 2,453 0.006,454 -0.926,455 -1.124,457 -1.88,458 -0.864,459 0.5,460 -0.916,461 2,463 -1,464 -1.424,466 -2.347,467 -0.946,468 10.319,469 0.469,470 0.38,471 0.017,472 30.25,473 1.375,474 16,475 0.727,476 14.25,477 0.648,478 14.637,479 0.665,480 23.281,481 0.613,482 20.915,483 0.951,484 6.176,485 0.281,486 4.616,487 0.21,488 0.06,490 0.281,494 1,496 0.725,497 1.14,498 0.732,499 1.032,500 0.672,501 0.918,502 0.863,503 0.991,504 0.913,505 0.95,506 0.716,507 0.938,508 0.93,509 1.014,510 0.908,511 0.933,512 0.874,513 0.918,514 0.892,515 0.908,516 0.969,517 0.86,518 0.792,519 0.906,520 0.609,521 0.84,522 0.963,523 0.993,524 0.425,525 1.027,526 0.559,527 0.884,528 1.034,529 1.18,530 0.567,531 1.211,532 0.565,533 0.946,534 0.941,535 1.185,536 0.636,537 1.162,538 1.053,539 1.056,540 0.985,541 1.108,542 1.085,543 1.054,544 3,545 0.041,546 2.222,547 1.312,548 1.198,549 0.622,550 0.308,551 0.27,552 0.172,553 0.091,554 4505,555 14086,556 2.097,557 42.1,559 10,561 3,562 1,565 2,567 1.653,568 2,569 3.046,570 -0.31,571 1,572 1,574 1,577 61.179,578 1.61,579 3.523,580 4.419,581 4.669,582 4.669,583 4.669,584 2.517,585 3.971,586 4.424,587 3.164,588 730.903,589 7.646,590 7937,591 1,592 1,594 1,595 199.421,596 1.241,597 4.407,598 0.125,599 0.014,600 0.069,601 0.041,602 0.037,603 0.019,604 0.011,605 0.012,606 0.011,607 0.011,608 0.351,609 0.67,610 1,611 1.125,612 99.497,613 -0.059,614 -0.15,615 0.029,616 -0.032,617 -0.065,618 0.003,619 -0.094,620 -0.009,621 -0.071,622 0.009,623 -0.043,624 -0.019,625 -0.086,626 -0.042,627 0.025,628 0.053,629 -0.048,630 0.061,631 -0.082,632 0.038,633 -0.046,634 0.088,635 -0.079,636 0.044,637 -0.051,638 0.021,639 -0.104,640 -0.049,641 -0.01,642 -0.074,643 0.107,644 -0.035,645 -0.137,646 -0.206,647 0.05,648 -0.227,649 0.12,650 -0.124,651 0.029,652 -0.187,653 0.059,654 -0.121,655 -0.014,656 -0.208,657 0.093,658 -0.13,659 0.016,660 -0.024,661 1.936,662 5.136,663 0.773,664 17.76,665 1.009,666 1.13,667 2.805,668 7.867,669 0.677,670 3.219,671 3.497,672 3.784,673 4.078,674 4.304,675 4.357,676 4.454,677 4.533,678 4.5,679 4.344,680 5.066,681 0.654,682 297.36,683 3.219,684 4.727,685 5.572,686 6.444,687 7.319,688 8.207,689 9.095,690 9.989,691 10.883,692 11.782,693 7.9,701 1,703 2,709 9,710 2,714 5,715 1,716 17,734 1,735 38,737 17,738 1,739 24,741 40,742 17,743 14,744 2,745 4,748 3,749 3,754 1,760 1,762 14,763 3,779 1,780 1,781 1,783 16,784 4,785 1,786 5,789 1,792 3,797 1,798 1,799 1,809 1,815 1,816 2,841 1,843 3,849 1,851 22,857 1,858 3,873 1,874 2.6,875 1,881 11,882 6.693,883 5.028,884 2.234,886 3.02,887 1.448,888 0.969,889 4.38,890 9.766,891 3.512,892 4.099,893 4.713,894 5.334,895 5.851,896 6.126,897 6.543,898 6.943,899 7.244,900 7.394,901 0.833,902 32,903 8.099,905 3.396,906 7.902,907 15.31,909 12.324,911 2.402,912 52.833,916 176.567,917 109.217,918 35.47,920 42.683,921 14.96,923 109.217,924 219.25,925 50.43,927 4.64,928 99.541,929 77.503,930 38.243,931 17.717,932 141.253,934 176.567,935 144.687,936 57.643,939 167.984,940 23.542,941 42.683,943 36.01,944 75.106,945 33.571,947 191.527,948 78.153,949 109.217,952 176.567,953 25.646,954 85.47,956 91.215,957 176.567,958 93.114,959 109.217,961 0.559,962 0.327,963 0.188,964 0.113,965 15,966 6,967 0.125,968 5,970 1,971 3.41,972 172.82,974 17,975 90.107,981 14.581,982 6.608,983 3.139,985 91.215,986 15.345,987 8.526,991 3.321,992 2.004,993 42.683,994 378.897,995 32.5,1007 38.331,1008 42.95,1009 0.307,1010 0.671,1011 0.842,1012 0.89,1013 0.89,1014 0.89,1015 4.703,1016 1,1017 5.525,1018 2.493,1019 4.174,1020 4.783,1022 6.33,1023 4.09,1024 5.893,1025 1,1026 7.069,1027 2.275,1028 3.611,1029 4.407,1031 7.265,1032 3.477,1033 7.183,1034 0.802,1035 8.724,1036 2.136,1037 5.733,1038 6.971,1040 10.423,1041 5.581,1042 8.519,1043 0.273,1044 10.451,1045 2.042,1046 6.089,1047 7.507,1049 12.296,1050 5.892,1051 9.892,1052 -0.172,1053 12.228,1054 0.467,1055 7.623,1056 9.461,1058 14.967,1059 7.407,1060 11.295,1061 -0.557,1062 14.039,1063 -0.36,1064 8.414,1065 10.438,1067 17.2,1068 8.156,1069 12.719,1070 -0.926,1071 15.876,1072 -1.209,1073 9.713,1074 12.122,1076 19.721,1077 9.432,1078 3.233,1079 -1,1080 17.732,1081 -1.88,1082 10.71,1083 13.327,1085 22.091,1086 10.389,1087 2.611,1088 11.611,1089 19.603,1090 -2.347,1091 11.919,1092 14.885,1094 24.564,1095 11.569,1096 2.282,1097 8.121,1098 21.486,1099 4.313,1100 13.011,1101 16.211,1103 26.984,1104 12.622,1105 2.159,1106 6.394,1107 23.379,1108 3.603,1109 14.189,1110 17.71,1112 29.443,1113 13.768,1114 1.603,1115 6.012,1116 25.278,1117 3.232,1118 15.323,1119 19.099,1121 31.882,1122 14.865,1123 1.414,1124 4.013,1125 27.184,1126 2.789,1127 16.492,1128 20.574,1130 34.336,1131 16,1132 1.195,1133 3.175,1134 29.094,1135 2.116,1136 17.646,1137 21.995,1139 36.783,1140 17.116,1141 4467,1142 7978,1143 16.296,1144 25.739,1145 35.355,1146 35.851,1147 36.508,1148 35.202,1149 35.145,1150 47.591,1152 97.475,1153 33.535,1154 5.393,1155 5.259,1156 6.768,1157 5.232,1158 5.233,1159 7.313,1161 18.814,1162 5.12,1163 8.547,1164 1.473,1165 1.494,1166 1.521,1167 1.467,1168 1.464,1169 1.983,1171 4.061,1172 1.397,1173 4.073,1174 4.114,1175 4.038,1176 3.963,1177 8.201,1178 3.975,1179 3.839,1180 3.873,1181 3.785,1182 3.753,1183 6.456,1184 3.755,1185 3.713,1186 3.772,1187 3.635,1188 3.543,1189 4.993,1190 3.557,1191 3.484,1192 3.543,1193 3.342,1194 3.294,1195 4.817,1196 3.298,1197 2.969,1198 3.028,1199 2.881,1200 2.758,1201 4.539,1202 2.774,1203 2.854,1204 2.925,1205 2.687,1206 2.735,1207 3.878,1208 2.715,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.765,1214 2.715,1215 2.77,1216 2.836,1217 2.634,1218 2.528,1219 3.674,1220 2.543,1221 0.191,1222 0.136,1223 0.288,1224 0.175,1225 0.135,1226 4.589,1227 0.18,1228 3.259,1230 6.906,1231 0.484,1232 4.197,1233 0.13,1234 3.233,1235 4.313,1237 11.611,1238 3.12,1239 1.931,1240 1.907,1241 2.018,1242 2.028,1243 1.228,1244 2.027,1245 1.826,1246 1.792,1247 1.943,1248 1.948,1249 1.098,1250 1.949,1251 1.648,1252 1.583,1253 1.872,1254 1.857,1255 0.969,1256 1.863,1257 1.252,1258 1.2,1259 1.467,1260 1.543,1261 0.602,1262 1.525,1263 1.226,1264 1.167,1265 1.303,1266 1.403,1267 0.358,1268 1.374,1269 0.886,1270 0.821,1271 1.181,1272 1.064,1273 0.218,1274 1.107,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.728,1282 0.638,1283 1.099,1284 1.062,1285 0.185,1286 1.077,1287 3.892,1289 5.176,1290 2.398,1291 6.668,1292 4.727,1293 8.258,1294 6.843,1295 9.901,1299 13.136,1302 9.058,1303 1.444,1314 24.85,1315 61.179,1316 133.872,1317 167.911,1318 177.421,1319 177.421,1320 177.421,1321 34.308,1322 6.745,1323 50.94,1324 50.94,1325 17,1326 12.306,1327 4.17,1328 3.248,1329 34.12,1330 62,1331 77,1332 0.263,1333 153.818,1334 259.62,1335 367.076,1336 6358,1337 2.6,1338 15.364,1339 0.698,1340 0.545,1341 14.493,1342 11.984,1343 10.792,1344 0.45,1345 0.297,1346 7.01,1347 10.348,1348 6.897,1349 5.705,1350 10.398,1351 7.117,1352 9.139,1353 0.286,1354 0.155,1355 8.517,1356 4.955,1357 7.698,1358 0.179,1359 0.081,1360 7.287,1361 3.466,1362 6.462,1363 0.111,1364 0.042,1365 6.31,1366 2.424,1367 5.393,1368 0.074,1369 0.023,1370 5.164,1371 1.653,1372 0.395,1373 67.854,1374 0.248,1375 21.345,1376 0.777,1377 112,1378 379.196,1379 122.849,1380 343.338,1381 462.09,1382 322,1383 131,1384 330.595,1385 141.596,1386 330.954,1387 482.4,1388 312,1389 5.1}
{0 CHEMBL2004872,1 1.507,2 11.56,3 3.151,4 9.928,5 96.49,6 7.578,7 0.667,8 3.871,9 3.983,10 3.453,11 3.441,12 5.039,13 3.422,14 4.354,15 4.515,16 3.758,17 3.785,18 5.487,19 3.748,20 4.552,21 4.734,22 3.81,23 3.915,24 5.644,25 3.852,26 4.632,27 4.835,28 3.721,29 3.891,30 5.74,31 3.804,32 4.662,33 4.897,34 3.627,35 3.841,36 5.713,37 3.735,38 4.527,39 4.756,40 3.485,41 3.726,42 5.543,43 3.615,44 4.423,45 4.672,46 3.417,47 3.59,48 5.536,49 3.479,50 4.277,51 4.527,52 3.296,53 3.444,54 5.323,55 3.35,56 0.011,57 0.615,58 8.339,59 3.886,60 7.319,61 4.934,62 0.196,63 0.96,64 15.393,65 6.179,66 22.988,67 7.983,68 0.139,69 1.139,70 19.321,71 7.778,72 27.535,73 10.214,74 0.184,75 1.197,76 21.883,77 8.379,78 39.176,79 11.086,80 0.316,81 1.175,82 24.288,83 8.898,84 50.427,85 11.972,86 0.209,87 1.029,88 20.837,89 7.929,90 35.3,91 10.604,92 0.329,93 0.933,94 19.254,95 7.057,96 44.744,97 9.858,98 0.136,99 0.788,100 16.696,101 6.214,102 30.337,103 8.546,104 11,105 36,106 0.26,107 0.587,108 0.76,109 0.856,110 0.872,111 0.872,112 3.266,113 0.887,114 -4.08,115 -4.03,116 -3.81,119 45.5,120 1,124 1,127 1,142 9,143 3,144 1,145 1,146 1,148 1,158 1,172 10,174 1,175 6,178 1,180 3,183 12,188 6,193 4,196 9,200 8,205 3,208 5,213 7,216 1,218 2,221 8,225 3,233 9,237 2,238 4,241 1,243 1,246 9,250 2,258 6,263 1,264 4,267 1,272 5,276 923,277 17.077,278 17.077,279 17.077,280 17.077,281 17.077,282 14.874,283 13.021,284 10.211,285 17.432,286 13.254,287 13.254,288 13.254,289 13.254,290 13.254,291 9.932,292 18.055,293 4.76,294 13.689,295 3.952,296 2.051,297 1.046,298 0.489,299 0.398,300 0.398,301 3.949,304 1,305 1,306 1,307 616,308 3.24,312 276.588,319 1.898,320 19.606,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 53.5,332 289,333 4.29,334 3.586,335 6.185,336 3.935,337 2.944,338 3.927,339 1.081,340 9.158,341 2.917,342 4.163,343 3.086,344 6.112,345 3.826,346 2.844,347 3.724,348 0.86,349 8.928,350 2.79,351 4.015,352 2.843,353 5.925,354 3.644,355 2.65,356 3.505,357 0.473,358 8.285,359 2.628,360 3.546,361 2.688,362 5.246,363 3.231,364 2.285,365 2.83,367 6.549,368 2.152,369 3.371,370 2.125,371 4.557,372 2.862,373 1.897,374 2.707,376 4.785,377 1.827,378 2.938,379 1.717,380 4.287,381 2.495,382 1.533,383 2.066,385 3.994,386 1.468,387 2.737,388 1.619,389 3.77,390 2.279,391 1.299,392 1.827,394 2.913,395 1.266,396 2.557,397 1.151,398 3.49,399 2.059,400 1.093,401 1.569,403 2.594,404 1.053,405 2.5,406 1.125,407 3.445,408 2,409 1,410 1.5,412 2.275,413 1,414 2.5,415 1,416 3.414,417 1.942,418 1,419 1.5,421 2.209,422 0.939,423 2.298,424 1,425 3.247,426 1.887,427 0.882,428 1.187,430 2.136,431 0.88,432 1.583,433 0.935,434 2.705,435 1.292,436 0.427,437 0.48,439 0.621,440 0.366,441 1.044,442 0.285,443 2.602,444 0.65,445 -0.325,446 -0.398,448 -0.784,449 -0.316,450 0.839,451 -0.279,452 2.31,453 0.488,454 -0.539,455 -0.71,457 -1.258,458 -0.543,459 0.632,460 -0.384,461 2,462 0.272,463 -0.704,464 -0.881,466 -1.461,467 -0.671,468 11.867,469 0.475,470 0.503,471 0.02,472 35.75,473 1.43,474 20,475 0.8,476 15.75,477 0.63,478 16.574,479 0.663,480 25.933,481 0.589,482 25.545,483 1.022,484 7.341,485 0.294,486 4.828,487 0.193,488 0.112,490 0.295,496 0.767,497 1.237,498 0.765,499 1.053,500 0.628,501 0.93,502 0.99,503 0.957,504 0.886,505 0.89,506 0.69,507 0.876,508 1.012,509 1.124,510 0.993,511 1.071,512 0.923,513 1.035,514 1.143,515 1.161,516 1.136,517 1.171,518 1.351,519 1.155,520 1.153,521 0.917,522 1.034,523 0.954,524 1.458,525 0.98,526 1.135,527 1.019,528 1.072,529 1.056,530 1.168,531 1.064,532 0.653,533 0.83,534 0.876,535 0.925,536 0.916,537 0.93,538 0.937,539 0.916,540 0.789,541 0.91,542 1.184,543 0.846,544 4.5,545 0.083,546 2.889,547 1.313,548 0.996,549 0.896,550 0.446,551 0.259,552 0.185,553 0.154,554 7681,555 21171,556 2.062,557 43.2,559 13,561 2,562 1,564 3,567 1.675,568 1.948,569 3.508,570 -0.356,571 1,572 1,574 1,577 66.311,578 1.507,579 3.409,580 4.413,581 4.971,582 5.061,583 5.061,584 2.953,585 4.214,586 4.615,587 3.654,588 1096.32,589 7.955,590 13714.9,592 1,594 1,595 240.215,596 1.323,597 4.583,598 0.167,599 0.006,600 0.08,601 0.035,602 0.031,603 0.031,604 0.018,605 0.011,606 0.009,607 0.009,608 0.396,609 0.33,610 1,611 0.739,612 122.669,613 -0.027,614 -0.133,615 0.046,616 -0.053,617 -0.055,618 -0.003,619 0.005,620 0.111,621 0.015,622 0.083,623 0.034,624 0.053,625 -0.098,626 -0.104,627 -0.076,628 -0.087,629 -0.031,630 -0.079,631 -0.128,632 -0.17,633 -0.181,634 -0.198,635 -0.117,636 -0.195,637 -0.058,638 0.015,639 -0.023,640 0.03,641 -0.105,642 0.011,643 -0.109,644 -0.094,645 -0.078,646 -0.062,647 -0.08,648 -0.067,649 0.29,650 0.11,651 0.137,652 0.057,653 0.234,654 0.074,655 0.032,656 -0.011,657 0.233,658 0.088,659 0.073,660 0.175,661 1.787,662 5.463,663 0.72,664 23.984,665 1.001,666 1.119,667 2.852,668 8.131,669 0.682,670 3.332,671 3.611,672 3.85,673 4.025,674 4.22,675 4.174,676 4.263,677 4.22,678 4.277,679 4.29,680 6.73,681 0.652,682 333.42,683 3.332,684 4.844,685 5.673,686 6.521,687 7.363,688 8.214,689 9.061,690 9.912,691 10.761,692 11.613,693 6.8,700 1,703 2,709 11,710 2,714 5,716 18,723 1,733 1,735 44,737 19,738 2,739 27,741 46,742 20,743 16,744 4,745 8,746 1,748 3,749 3,754 1,760 1,762 17,763 3,767 1,772 1,776 1,779 1,780 1,783 19,784 5,785 1,786 5,792 3,797 1,798 2,810 1,816 3,843 3,847 2,851 25,860 1,861 1,863 1,874 4.5,877 1,879 1,881 12.833,882 8.483,883 5.667,884 2.493,886 3.072,887 1.444,888 0.967,889 5.295,890 9.985,891 3.638,892 4.197,893 4.756,894 5.269,895 5.79,896 5.876,897 6.26,898 6.422,899 6.733,900 7,901 0.875,902 37,903 9.188,905 3.784,906 7.753,907 17.406,909 13.707,911 2.253,912 56.333,915 1,916 211.88,917 144.922,918 51.582,920 36.145,923 144.922,924 248.025,925 51.582,926 19.708,927 18.011,928 85.286,929 86.963,930 46.223,932 188.338,934 211.88,935 196.504,936 36.145,939 176.567,940 71.458,943 47.259,944 115.674,945 33.571,947 211.88,948 87.727,949 144.922,952 211.88,953 22.262,954 122.661,955 18.011,956 69.716,957 211.88,958 87.727,959 144.922,961 0.57,962 0.337,963 0.174,964 0.093,965 16,966 7,967 0.109,968 5,970 1,971 3.79,972 195.005,974 18,975 110.096,981 16.969,982 7.801,983 4.157,985 87.727,986 20.063,987 8.111,991 4.136,993 18.011,994 444.529,995 37,1000 12.463,1004 -0.121,1007 44.029,1008 49.235,1009 0.276,1010 0.624,1011 0.808,1012 0.91,1013 0.927,1014 0.927,1015 4.832,1016 1.093,1017 5.631,1018 2.913,1019 4.29,1020 4.883,1021 1.661,1022 6.385,1023 4.239,1024 6.018,1025 1,1026 7.159,1027 2.594,1028 3.761,1029 4.46,1031 7.182,1032 3.716,1033 7.297,1034 1,1035 8.786,1036 2.275,1037 5.832,1038 7.01,1039 1.594,1040 10.231,1041 5.746,1042 8.612,1043 0.882,1044 10.471,1045 2.209,1046 6.133,1047 7.389,1049 11.835,1050 6.056,1051 9.956,1052 0.427,1053 12.194,1054 2.136,1055 7.642,1056 9.389,1057 1.614,1058 14.367,1059 7.533,1060 11.321,1061 -0.325,1062 13.94,1063 0.621,1064 8.326,1065 10.163,1067 16.294,1068 8.223,1069 12.703,1070 -0.539,1071 15.703,1072 -0.784,1073 9.588,1074 11.892,1075 1.674,1076 18.63,1077 9.462,1078 2.944,1079 -0.704,1080 17.477,1081 -1.258,1082 10.46,1083 12.887,1085 20.7,1086 10.334,1087 2.844,1088 9.158,1089 19.259,1090 -1.461,1091 11.609,1092 14.463,1093 1.758,1094 22.955,1095 11.465,1096 2.65,1097 8.928,1098 21.047,1099 3.927,1100 12.574,1101 15.591,1103 25.089,1104 12.425,1105 2.285,1106 8.285,1107 22.839,1108 3.724,1109 13.672,1110 17.076,1111 1.859,1112 27.311,1113 13.509,1114 1.897,1115 6.549,1116 24.634,1117 3.505,1118 14.683,1119 18.287,1121 29.476,1122 14.513,1123 1.533,1124 4.785,1125 26.433,1126 2.83,1127 15.758,1128 19.718,1129 1.973,1130 31.683,1131 15.576,1132 1.299,1133 3.994,1134 28.233,1135 2.707,1136 16.793,1137 20.981,1139 33.863,1140 16.601,1141 7430,1142 12450,1143 18.087,1144 30.017,1145 40.108,1146 40.926,1147 40.766,1148 39.613,1149 39.711,1150 53.642,1151 4.827,1152 108.893,1153 38.573,1154 5.165,1155 5.586,1156 5.987,1157 5.005,1158 4.944,1159 6.927,1160 2.162,1161 15.639,1162 4.917,1163 10.94,1164 1.485,1165 1.516,1166 1.51,1167 1.467,1168 1.471,1169 1.987,1170 0.179,1171 4.033,1172 1.429,1173 4.006,1174 4.036,1175 3.957,1176 3.928,1177 7.429,1178 3.931,1179 3.919,1180 3.947,1181 3.862,1182 3.85,1183 5.027,1184 3.849,1185 3.724,1186 3.77,1187 3.673,1188 3.572,1189 4.866,1190 3.591,1191 3.492,1192 3.554,1193 3.383,1194 3.308,1195 4.652,1196 3.313,1197 3.236,1198 3.3,1199 3.098,1200 2.982,1201 4.405,1202 3.003,1203 3.144,1204 3.19,1205 2.988,1206 2.941,1207 4.113,1208 2.943,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.918,1214 2.715,1215 2.792,1216 2.873,1217 2.649,1218 2.652,1219 3.746,1220 2.627,1221 0.159,1222 0.133,1223 0.229,1224 0.146,1225 0.109,1226 4.29,1227 0.145,1228 3.586,1229 0.04,1230 6.185,1231 0.339,1232 3.935,1233 0.108,1234 2.944,1235 3.927,1236 1.081,1237 9.158,1238 2.917,1239 1.959,1240 1.935,1241 2.054,1242 2.059,1243 1.202,1244 2.057,1245 1.91,1246 1.886,1247 2.019,1248 2.007,1249 1.128,1250 2.011,1251 1.665,1252 1.62,1253 1.78,1254 1.841,1255 0.834,1256 1.825,1257 1.46,1258 1.396,1259 1.716,1260 1.679,1261 0.741,1262 1.691,1263 1.185,1264 1.111,1265 1.563,1266 1.49,1267 0.57,1268 1.515,1269 1.078,1270 1.042,1271 1.26,1272 1.331,1273 0.281,1274 1.315,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.822,1282 0.75,1283 1.115,1284 1.013,1285 0.19,1286 1.052,1287 4.007,1289 5.293,1291 6.783,1293 8.354,1295 9.963,1297 3.573,1305 3.003,1306 5.227,1308 -0.121,1314 28.708,1315 66.311,1316 149.98,1317 194.176,1318 218.705,1319 222.705,1320 222.705,1321 38.906,1322 6.913,1323 64.11,1324 64.11,1325 18,1326 12.17,1327 4.322,1328 3.459,1329 42.023,1330 101,1331 92,1332 0.202,1333 179.538,1334 308.96,1335 429.834,1336 9105,1338 17.648,1339 0.706,1340 0.566,1341 17.648,1342 14.139,1343 12.169,1344 0.451,1345 0.296,1346 7.877,1347 11.735,1348 7.627,1349 6.4,1350 12.169,1351 7.984,1352 10.464,1353 0.291,1354 0.157,1355 10.464,1356 5.644,1357 8.887,1358 0.193,1359 0.086,1360 8.887,1361 3.966,1362 6.983,1363 0.127,1364 0.046,1365 6.983,1366 2.528,1367 5.487,1368 0.082,1369 0.025,1370 5.487,1371 1.663,1372 0.323,1373 76.069,1374 0.235,1375 24.719,1376 0.534,1377 126,1378 377.094,1379 136.311,1380 366.535,1381 499.53,1382 344,1383 145,1384 361.731,1385 154.813,1386 371.017,1387 532.84,1388 347,1389 5.1}
{0 CHEMBL2004892,1 1.798,2 8.857,3 2.168,4 4.701,5 85.059,6 8.64,7 0.696,8 3.688,9 3.795,10 3.56,11 3.289,12 4.832,13 3.251,14 4.174,15 4.301,16 3.775,17 3.651,18 5.617,19 3.613,20 4.385,21 4.558,22 3.706,23 3.728,24 5.606,25 3.66,26 4.365,27 4.57,28 3.602,29 3.694,30 5.487,31 3.582,32 4.318,33 4.536,34 3.417,35 3.562,36 5.467,37 3.443,38 4.159,39 4.393,40 3.239,41 3.347,42 5.25,43 3.237,44 3.927,45 4.174,46 3.159,47 3.12,48 4.993,49 3.014,50 3.77,51 3.993,52 3.074,53 2.971,54 4.973,55 2.862,56 0.135,57 0.583,58 8.534,59 3.246,60 18.568,61 3.447,62 0.315,63 0.873,64 14.626,65 5.735,66 48.365,67 6.444,68 0.373,69 0.996,70 15.392,71 6.148,72 54.839,73 7.085,74 0.239,75 0.977,76 17.938,77 6.891,78 25.775,79 8.433,80 0.274,81 0.848,82 18.635,83 7.025,84 42.569,85 8.632,86 0.241,87 0.725,88 14.573,89 5.472,90 39.61,91 7.113,92 0.19,93 0.625,94 11.839,95 3.887,96 22.357,97 5.027,98 0.174,99 0.524,100 12.224,101 3.777,102 20.678,103 4.243,104 19,105 34,106 0.324,107 0.635,108 0.732,109 0.823,110 0.837,111 0.837,112 3.103,113 1.061,114 -3.28,115 -3.27,116 -3.13,119 40,124 1,142 7,143 3,144 1,147 1,152 1,163 1,164 1,165 1,168 1,172 9,174 1,175 1,177 1,178 3,180 5,183 12,185 1,188 2,192 1,193 5,195 1,196 12,198 1,200 6,205 4,208 8,210 2,213 5,218 4,221 4,223 2,225 4,230 6,235 2,238 4,243 6,248 2,250 4,264 4,267 1,268 2,271 1,276 530,277 13.618,278 13.618,279 13.618,280 13.618,281 13.618,282 11.399,283 8.035,284 7.764,285 13.823,286 11.364,287 11.364,288 11.364,289 11.364,290 11.364,291 7.993,292 5.975,293 3.711,294 11.716,295 3.332,296 1.602,297 1.062,298 0.557,299 0.479,300 0.479,301 3.778,304 1,305 1,306 1,307 398,308 3.162,311 49.725,312 118.45,315 85.762,319 1.592,320 22.915,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 46,332 186,333 4.644,334 4.311,335 6.521,336 4.094,337 3.143,338 4.51,340 10.23,341 3.05,342 4.556,343 3.121,344 6.455,345 4.063,346 3.095,347 4.441,349 10.189,350 2.917,351 4.144,352 2.789,353 6.088,354 3.737,355 2.749,356 3.77,358 8.846,359 2.708,360 3.675,361 2.434,362 5.215,363 3.24,364 2.266,365 3.118,367 6.598,368 2.201,369 3.311,370 1.957,371 4.952,372 2.839,373 1.883,374 2.653,376 5.416,377 1.798,378 2.974,379 1.536,380 4.4,381 2.481,382 1.498,383 2.192,385 4.268,386 1.471,387 2.656,388 1.21,389 4.014,390 2.161,391 1.183,392 1.729,394 3.167,395 1.154,396 2.5,397 1,398 3.414,399 2,400 1,401 1.5,403 2.275,404 1,405 2.125,406 0.786,407 3.234,408 1.654,409 0.674,410 0.961,412 1.583,413 0.659,414 1.355,415 0.684,416 3.124,417 1.019,418 0.054,419 0.066,421 0.144,422 0.052,423 1,424 0.07,425 2.603,426 0.536,427 -0.432,428 -0.55,430 -1.082,431 -0.415,432 0.921,433 -0.34,434 2.206,435 0.201,436 -0.784,437 -0.996,439 -2.239,440 -0.749,441 0.653,442 -0.735,443 2,444 0.098,445 -0.889,446 -1.207,448 -2.613,449 -0.796,450 0.544,451 -0.887,452 2,454 -1,455 -1.322,457 -3,458 -0.88,459 0.5,460 -1,461 2,463 -1,464 -1.5,466 -3,467 -1,468 10.1,469 0.481,470 0.75,471 0.036,472 31,473 1.476,474 18,475 0.857,476 13,477 0.619,478 12.847,479 0.612,480 22.3,481 0.637,482 21.275,483 1.013,484 6.01,485 0.286,486 3.912,487 0.186,488 0.155,489 0.083,490 0.297,496 0.592,497 1.06,498 0.828,499 1.103,500 0.775,501 0.81,502 0.531,503 1.15,504 1.066,505 1.175,506 0.472,507 0.952,508 1.296,509 0.929,510 0.933,511 0.806,512 1.264,513 1.023,514 0.738,515 1.022,516 1.029,517 1.077,518 0.56,519 1.129,520 0.882,521 0.973,522 0.942,523 1.034,524 0.957,525 1.076,526 0.863,527 1.066,528 0.723,529 0.883,530 0.917,531 1.032,532 0.832,533 1.099,534 0.826,535 0.854,536 0.573,537 0.95,538 1.12,539 1.121,540 1.266,541 1.177,542 0.89,543 1.009,544 6,545 0.166,546 2.667,547 1.479,548 0.991,549 0.712,550 0.452,551 0.234,552 0.211,553 0.119,554 4430,555 15055,556 2.034,557 40,559 10,562 4,567 1.627,568 1.867,569 3.122,570 1.968,572 1,574 1,577 62.919,578 1.798,579 3.528,580 4.068,581 4.572,582 4.651,583 4.651,584 2.522,585 3.88,586 4.364,587 3.327,588 698.57,589 7.45,590 7450.5,591 1,592 1,594 1,595 179.525,596 1.691,597 4.295,598 0.261,599 0.018,600 0.078,601 0.049,602 0.038,603 0.032,604 0.025,605 0.016,606 0.016,607 0.011,608 0.545,609 0.33,610 1,611 1.083,612 95.269,613 0.078,614 0.147,615 0.211,616 0.025,617 -0.225,618 0.106,619 0.31,620 -0.056,621 -0.108,622 -0.124,623 0.341,624 -0.02,625 -0.289,626 0.063,627 -0.19,628 0.041,629 -0.246,630 -0.119,631 -0.079,632 -0.038,633 -0.128,634 -0.111,635 0.012,636 -0.133,637 -0.046,638 -0.106,639 -0.036,640 -0.069,641 -0.042,642 -0.035,643 -0.035,644 -0.212,645 0.074,646 -0.023,647 -0.069,648 -0.014,649 -0.081,650 -0.116,651 0.094,652 0.034,653 -0.005,654 0.024,655 -0.141,656 -0.109,657 -0.045,658 -0.078,659 0.026,660 -0.014,661 4.177,662 4.174,663 0.714,664 16.726,665 1.016,666 1.126,667 2.049,668 4.2,669 0.697,670 3.178,671 3.555,672 3.738,673 4.007,674 4.19,675 4.248,676 4.419,677 4.522,678 4.454,679 4.511,680 5.559,681 0.667,682 302.39,683 3.178,684 4.745,685 5.58,686 6.479,687 7.331,688 8.228,689 9.089,690 9.985,691 10.852,692 11.746,693 11.4,697 1,698 1,701 1,703 1,708 2,709 7,710 1,711 1,714 4,716 16,727 1,735 35,737 18,738 2,739 23,741 37,742 14,743 13,744 5,745 7,748 3,749 4,762 13,763 1,767 2,770 1,772 2,779 1,780 1,783 14,784 5,785 4,786 7,787 1,792 4,797 0.667,798 2,807 1,815 1,816 2,819 1,843 2,845 1,847 1,851 21,852 1,855 1,860 1,874 5.7,877 2,881 11.25,882 6.367,883 4.375,884 1.76,886 3.305,887 1.483,888 1.042,889 3.353,890 10.149,891 3.526,892 4.245,893 4.753,894 5.4,895 5.939,896 6.294,897 6.799,898 7.254,899 7.471,900 7.858,901 0.833,902 30,903 7.847,905 3.527,906 8.02,907 14.447,909 12.05,911 2.52,912 52.917,916 117.711,917 95.504,918 82.628,920 44.313,922 5.807,923 89.697,924 162.024,925 82.628,926 7.19,928 105.038,929 77.381,930 28.364,931 4.472,932 117.711,934 117.711,935 172.325,936 44.313,937 5.807,939 117.711,940 44.313,943 16.663,944 122.594,945 38.875,947 117.711,948 126.941,949 95.504,951 5.807,952 117.711,953 16.173,954 73.524,955 33.068,956 93.873,957 117.711,958 126.941,959 95.504,961 0.602,962 0.316,963 0.167,964 0.089,965 18,966 8,967 0.081,968 3,969 1,970 1.133,971 3.319,972 160.704,973 0.133,974 15,975 86.239,980 1,981 13.922,982 5.058,983 3.014,984 1.748,985 110.278,986 12.97,987 3.961,988 2.85,991 2.949,993 65.965,994 340.157,995 33,998 -3.26,1000 22.349,1007 35.556,1008 39.408,1009 0.35,1010 0.688,1011 0.793,1012 0.891,1013 0.907,1014 0.907,1015 4.771,1016 1,1017 5.631,1018 3.167,1019 4.234,1020 4.931,1022 6.475,1023 4.175,1024 6.057,1025 0.674,1026 7.219,1027 2.275,1028 4.111,1029 5.121,1031 7.627,1032 3.975,1033 7.431,1034 0.054,1035 8.908,1036 1.583,1037 5.932,1038 7.338,1040 10.562,1041 5.804,1042 8.843,1043 -0.432,1044 10.653,1045 0.144,1046 6.538,1047 8.273,1049 12.432,1050 6.332,1051 10.282,1052 -0.784,1053 12.433,1054 -1.082,1055 7.922,1056 10.042,1058 14.955,1059 7.713,1060 11.74,1061 -0.889,1062 14.233,1063 -2.239,1064 8.825,1065 11.286,1067 17.092,1068 8.548,1069 13.213,1070 -1,1071 16.049,1072 -2.613,1073 10.049,1074 12.89,1076 19.478,1077 9.755,1078 3.143,1079 -1,1080 17.875,1081 -3,1082 11.08,1083 14.27,1085 21.72,1086 10.727,1087 3.095,1088 10.23,1089 19.709,1090 -3,1091 12.243,1092 15.807,1094 24.059,1095 11.863,1096 2.749,1097 10.189,1098 21.548,1099 4.51,1100 13.329,1101 17.249,1103 26.344,1104 12.898,1105 2.266,1106 8.846,1107 23.393,1108 4.441,1109 14.47,1110 18.76,1112 28.667,1113 14.005,1114 1.883,1115 6.598,1116 25.241,1117 3.77,1118 15.581,1119 20.23,1121 30.97,1122 15.07,1123 1.498,1124 5.416,1125 27.092,1126 3.118,1127 16.714,1128 21.732,1130 33.288,1131 16.167,1132 1.183,1133 4.268,1134 28.945,1135 2.653,1136 17.836,1137 23.216,1139 35.6,1140 17.246,1141 4355,1142 8137,1143 14.909,1144 24.387,1145 35.344,1146 36.396,1147 35.703,1148 35.182,1149 35.087,1150 49.881,1152 105.432,1153 34.018,1154 5.393,1155 6.311,1156 5.935,1157 5.098,1158 5.143,1159 7.51,1161 16.756,1162 5.05,1163 11.476,1164 1.537,1165 1.582,1166 1.552,1167 1.53,1168 1.526,1169 2.169,1171 4.584,1172 1.479,1173 4.129,1174 4.164,1175 4.716,1176 4.049,1177 7.718,1178 4.047,1179 3.989,1180 3.982,1181 4.086,1182 3.933,1183 6.999,1184 3.848,1185 3.783,1186 3.777,1187 3.788,1188 3.725,1189 5.249,1190 3.661,1191 3.345,1192 3.408,1193 3.278,1194 3.18,1195 4.8,1196 3.195,1197 3.03,1198 3.123,1199 2.916,1200 2.868,1201 4.678,1202 2.868,1203 2.854,1204 2.925,1205 2.687,1206 2.735,1207 4.286,1208 2.715,1209 2.801,1210 2.916,1211 2.64,1212 2.564,1213 3.832,1214 2.568,1215 2.697,1216 2.814,1217 2.469,1218 2.355,1219 3.674,1220 2.364,1221 0.202,1222 0.187,1223 0.284,1224 0.178,1225 0.137,1226 4.644,1227 0.196,1228 4.311,1230 6.521,1231 0.445,1232 4.094,1233 0.133,1234 3.143,1235 4.51,1237 10.23,1238 3.05,1239 2.012,1240 1.994,1241 2.087,1242 2.079,1243 1.233,1244 2.091,1245 1.825,1246 1.821,1247 1.893,1248 1.935,1249 1.046,1250 1.967,1251 1.638,1252 1.658,1253 1.604,1254 1.758,1255 0.907,1256 1.807,1257 1.351,1258 1.268,1259 1.492,1260 1.693,1261 0.376,1262 1.642,1263 1.065,1264 1.017,1265 1.237,1266 1.287,1267 0.341,1268 1.284,1269 0.886,1270 0.821,1271 1.181,1272 1.095,1273 0.218,1274 1.121,1275 0.789,1276 0.701,1277 1.064,1278 1.062,1279 0.089,1280 1.107,1281 0.698,1282 0.599,1283 1.018,1284 0.97,1286 1.007,1287 3.85,1289 5.209,1290 2.398,1291 6.739,1292 4.727,1293 8.343,1294 6.804,1295 9.986,1297 1.122,1301 5.798,1305 2.432,1314 23.336,1315 62.919,1316 123.467,1317 142.364,1318 160.015,1319 162.77,1320 162.77,1321 34.856,1322 6.844,1323 100.87,1324 109.25,1325 17,1326 12.277,1327 4.248,1328 3.459,1329 32.394,1330 70,1331 58,1332 0.232,1333 148.692,1334 242.59,1335 354.568,1336 7596,1338 15.035,1339 0.716,1340 0.577,1341 15.285,1342 12.107,1343 9.922,1344 0.431,1345 0.354,1346 6.324,1347 8.837,1348 5.978,1349 4.984,1350 10.848,1351 8.132,1352 10.097,1353 0.297,1354 0.193,1355 11.48,1356 6.569,1357 7.271,1358 0.177,1359 0.091,1360 7.722,1361 3.72,1362 6.206,1363 0.115,1364 0.05,1365 6.742,1366 2.723,1367 4.868,1368 0.075,1369 0.027,1370 5.233,1371 1.731,1372 0.363,1373 71.375,1374 0.259,1375 20.863,1376 0.636,1377 114,1378 349.955,1379 154.751,1380 366.172,1381 493.82,1382 334,1383 132,1384 345.371,1385 179.659,1386 384.504,1387 547.06,1388 357,1389 5.1}
{0 CHEMBL2004934,1 1.56,2 11.538,3 3.556,4 12.645,5 98.225,6 7.787,7 0.643,8 3.894,9 4.001,10 3.492,11 3.474,12 5.092,13 3.458,14 4.382,15 4.534,16 3.818,17 3.824,18 5.565,19 3.795,20 4.606,21 4.783,22 3.903,23 3.958,24 5.783,25 3.911,26 4.684,27 4.876,28 3.857,29 3.935,30 5.903,31 3.872,32 4.734,33 4.959,34 3.8,35 3.875,36 6.038,37 3.799,38 4.581,39 4.805,40 3.588,41 3.747,42 5.728,43 3.658,44 4.447,45 4.686,46 3.504,47 3.607,48 5.621,49 3.524,50 4.338,51 4.573,52 3.415,53 3.467,54 5.558,55 3.41,56 0.034,57 0.666,58 8.115,59 4.165,60 7.295,61 5.012,62 0.2,63 1.047,64 15.283,65 6.667,66 24.086,67 8.17,68 0.227,69 1.318,70 20.186,71 8.482,72 37.147,73 10.377,74 0.256,75 1.403,76 22.727,77 9.257,78 46.281,79 11.341,80 0.633,81 1.45,82 26.632,83 9.719,84 102.285,85 12.181,86 0.411,87 1.227,88 22.434,89 8.371,90 63.264,91 10.481,92 0.327,93 1.033,94 19.699,95 7.288,96 46.123,97 9.623,98 0.285,99 0.963,100 18.147,101 6.559,102 51.684,103 8.084,104 18,105 38,106 0.267,107 0.587,108 0.766,109 0.867,110 0.875,111 0.875,112 3.304,113 0.882,114 -4.39,115 -4.32,116 -4.08,119 46.7,120 1,124 1,127 1,142 9,143 4,144 2,145 2,158 1,172 11,175 5,178 1,180 3,183 13,188 5,193 4,196 10,200 5,205 2,208 8,213 5,216 1,218 2,221 9,225 4,230 1,233 7,237 1,238 5,243 2,246 7,250 2,258 7,263 1,264 1,267 1,272 8,276 1000,277 17.577,278 17.577,279 17.577,280 17.577,281 17.577,282 15.321,283 14.648,284 10.424,285 17.917,286 13.738,287 13.738,288 13.738,289 13.738,290 13.738,291 10.328,292 18.717,293 4.855,294 14.17,295 3.932,296 2.066,297 1.023,298 0.434,299 0.389,300 0.389,301 3.984,304 1,305 1,306 1,307 637,308 3.317,312 287.198,319 1.846,320 29.809,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 56.5,332 300,333 4.413,334 3.594,335 6.474,336 4.035,337 3.049,338 4.094,339 1.081,340 10.033,341 3.003,342 4.171,343 3.184,344 6.139,345 3.86,346 2.878,347 3.725,348 0.86,349 8.99,350 2.825,351 4.016,352 3.076,353 5.935,354 3.652,355 2.651,356 3.506,357 0.473,358 8.326,359 2.649,360 3.59,361 2.688,362 5.25,363 3.24,364 2.293,365 2.97,367 6.564,368 2.161,369 3.481,370 2.42,371 5.064,372 3.049,373 2.087,374 2.75,376 5.782,377 1.995,378 2.953,379 1.907,380 4.338,381 2.498,382 1.537,383 2.114,385 4.067,386 1.472,387 2.869,388 1.646,389 4.033,390 2.421,391 1.478,392 1.987,394 3.512,395 1.38,396 2.725,397 1.619,398 3.773,399 2.258,400 1.266,401 1.806,403 2.864,404 1.249,405 2.548,406 1.15,407 3.497,408 2.057,409 1.08,410 1.56,412 2.584,413 1.053,414 2.5,415 1.099,416 3.456,417 1.984,418 1,419 1.5,421 2.229,422 0.983,423 2.298,424 1,425 3.247,426 1.894,427 0.884,428 1.188,430 2.136,431 0.887,432 1.583,433 0.935,434 2.735,435 1.292,436 0.427,437 0.48,439 0.621,440 0.366,441 1.239,442 0.342,443 2.662,444 0.848,445 -0.091,446 -0.114,448 -0.217,449 -0.083,450 0.842,451 0.273,452 2.495,453 0.508,454 -0.489,455 -0.575,457 -1.201,458 -0.472,459 0.755,460 -0.365,461 2.257,462 0.303,463 -0.657,464 -0.876,466 -1.456,467 -0.627,468 12.252,469 0.471,470 0.592,471 0.023,472 36,473 1.385,474 20,475 0.769,476 16,477 0.615,478 18.291,479 0.704,480 27.348,481 0.608,482 27.305,483 1.05,484 7.482,485 0.288,486 5.098,487 0.196,488 0.132,490 0.326,494 1,496 0.648,497 1.031,498 0.726,499 1.016,500 0.558,501 0.913,502 0.84,503 0.95,504 0.832,505 0.915,506 0.622,507 0.881,508 1.003,509 1.085,510 0.974,511 1.046,512 0.942,513 1.009,514 1.103,515 1.23,516 1.076,517 1.199,518 1.207,519 1.148,520 1.122,521 0.997,522 1.019,523 0.952,524 1.274,525 0.967,526 1.186,527 0.973,528 1.118,529 1.009,530 1.224,531 1.045,532 0.82,533 0.934,534 0.879,535 0.944,536 0.925,537 0.921,538 1.356,539 1.04,540 0.952,541 0.886,542 1.538,543 0.841,544 5,545 0.112,546 3.111,547 1.75,548 1.427,549 0.924,550 0.527,551 0.321,552 0.209,553 0.192,554 8214,555 23862,556 2.037,557 42.2,559 13,561 2,562 1,564 3,567 1.688,568 1.902,569 3.504,570 -0.37,572 1,577 70.184,578 1.56,579 3.425,580 4.469,581 5.058,582 5.103,583 5.103,584 2.95,585 4.133,586 4.672,587 3.645,588 1184.61,589 8.078,590 15065.8,592 1,594 1,595 247.133,596 1.42,597 4.628,598 0.179,599 0.007,600 0.082,601 0.044,602 0.04,603 0.028,604 0.02,605 0.013,606 0.009,607 0.01,608 0.429,609 0.33,610 1,611 0.777,612 128.602,613 -0.027,614 -0.057,615 0.034,616 -0.023,617 -0.051,618 0.012,619 -0.025,620 0.005,621 0.027,622 0.059,623 0.017,624 0.053,625 -0.096,626 -0.079,627 -0.067,628 -0.067,629 -0.051,630 -0.06,631 -0.091,632 -0.224,633 -0.125,634 -0.221,635 -0.076,636 -0.19,637 0.097,638 0.055,639 0.023,640 0.029,641 0.097,642 0.01,643 -0.079,644 0.025,645 -0.103,646 -0.029,647 -0.095,648 -0.066,649 0.089,650 -0.024,651 0.129,652 0.026,653 0.073,654 0.079,655 -0.112,656 0.02,657 0.109,658 0.099,659 -0.077,660 0.145,661 2.113,662 6.438,663 0.692,664 24.533,665 1.007,666 1.122,667 3.16,668 9.986,669 0.682,670 3.367,671 3.664,672 3.912,673 4.111,674 4.304,675 4.263,676 4.357,677 4.317,678 4.357,679 4.382,680 6.695,681 0.658,682 350.42,683 3.367,684 4.89,685 5.727,686 6.586,687 7.438,688 8.3,689 9.157,690 10.021,691 10.881,692 11.745,693 4.4,700 1,703 1,709 11,710 1,714 6,716 18,723 1,733 1,734 1,735 45,737 19,738 2,739 28,741 47,742 21,743 17,744 5,745 7,746 1,748 3,749 3,754 1,760 1,762 18,763 3,767 1,772 1,776 1,779 1,780 1,781 1,783 19,784 5,785 1,786 5,792 2,797 1,798 2,809 1,816 3,843 3,847 2,849 1,851 26,860 1,861 1,863 1,873 1,874 4.4,877 1,879 1,881 13.667,882 8.676,883 5.861,884 2.558,886 3.04,887 1.435,888 0.971,889 5.523,890 10.023,891 3.664,892 4.241,893 4.806,894 5.336,895 5.86,896 5.964,897 6.338,898 6.511,899 6.795,900 7.076,901 0.875,902 40,903 9.628,905 4.068,906 7.923,907 17.956,909 14.273,911 2.423,912 63,915 1,916 211.88,917 154.901,918 34.796,920 36.145,921 14.96,923 154.901,924 248.025,925 49.756,926 19.708,927 18.011,928 85.286,929 70.177,930 56.201,931 14.96,932 188.338,934 211.88,935 189.697,936 51.105,939 191.527,940 71.458,943 44.931,944 127.981,945 16.786,947 226.84,948 70.941,949 154.901,952 211.88,953 31.811,954 123.089,955 18.011,956 67.89,957 211.88,958 85.901,959 154.901,961 0.575,962 0.342,963 0.18,964 0.097,965 17,966 8,967 0.106,968 5,970 1,971 3.805,972 209.098,974 18,975 118.211,981 17.937,982 8.006,983 4.223,985 85.901,986 18.595,987 3.925,991 2.606,993 18.011,994 452.682,995 38,1000 12.464,1004 -0.333,1007 45.323,1008 50.492,1009 0.284,1010 0.624,1011 0.814,1012 0.921,1013 0.929,1014 0.929,1015 4.871,1016 1.266,1017 5.7,1018 3.512,1019 4.344,1020 4.927,1021 1.661,1022 6.482,1023 4.292,1024 6.07,1025 1.08,1026 7.246,1027 2.864,1028 3.892,1029 4.605,1031 7.334,1032 3.826,1033 7.362,1034 1,1035 8.893,1036 2.584,1037 5.911,1038 7.081,1039 1.594,1040 10.407,1041 5.825,1042 8.69,1043 0.884,1044 10.598,1045 2.229,1046 6.275,1047 7.552,1049 12.067,1050 6.18,1051 10.047,1052 0.427,1053 12.339,1054 2.136,1055 7.755,1056 9.497,1057 1.614,1058 14.643,1059 7.646,1060 11.426,1061 -0.091,1062 14.105,1063 0.621,1064 8.494,1065 10.36,1067 16.637,1068 8.375,1069 12.821,1070 -0.489,1071 15.889,1072 -0.217,1073 9.748,1074 12.051,1075 1.674,1076 19.03,1077 9.615,1078 3.049,1079 -0.657,1080 17.685,1081 -1.201,1082 10.667,1083 13.131,1085 21.174,1086 10.523,1087 2.878,1088 10.033,1089 19.49,1090 -1.456,1091 11.823,1092 14.686,1093 1.758,1094 23.496,1095 11.665,1096 2.651,1097 8.99,1098 21.302,1099 4.094,1100 12.829,1101 15.892,1103 25.71,1104 12.658,1105 2.293,1106 8.326,1107 23.121,1108 3.725,1109 13.944,1110 17.373,1111 1.859,1112 28.006,1113 13.759,1114 2.087,1115 6.564,1116 24.944,1117 3.506,1118 14.994,1119 18.654,1121 30.256,1122 14.794,1123 1.537,1124 5.782,1125 26.771,1126 2.97,1127 16.093,1128 20.094,1129 1.973,1130 32.544,1131 15.878,1132 1.478,1133 4.067,1134 28.601,1135 2.75,1136 17.164,1137 21.421,1139 34.812,1140 16.934,1141 7989,1142 13742,1143 18.493,1144 30.711,1145 41.725,1146 42.754,1147 42.736,1148 41.252,1149 41.264,1150 55.358,1151 4.827,1152 115.413,1153 40.043,1154 5.289,1155 5.594,1156 6.276,1157 5.07,1158 5.049,1159 7.094,1160 2.162,1161 16.831,1162 5.003,1163 12.858,1164 1.49,1165 1.527,1166 1.526,1167 1.473,1168 1.474,1169 1.977,1170 0.172,1171 4.122,1172 1.43,1173 4.022,1174 4.046,1175 3.981,1176 3.95,1177 8.201,1178 3.953,1179 3.925,1180 3.952,1181 3.867,1182 3.856,1183 7.429,1184 3.855,1185 3.749,1186 3.785,1187 3.693,1188 3.638,1189 4.916,1190 3.646,1191 3.497,1192 3.557,1193 3.397,1194 3.31,1195 4.863,1196 3.316,1197 3.237,1198 3.301,1199 3.111,1200 2.982,1201 4.553,1202 3.007,1203 3.15,1204 3.194,1205 2.993,1206 2.94,1207 4.403,1208 2.944,1209 2.895,1210 2.955,1211 2.801,1212 2.735,1213 4.109,1214 2.734,1215 2.854,1216 2.925,1217 2.687,1218 2.733,1219 3.797,1220 2.715,1221 0.158,1222 0.128,1223 0.231,1224 0.144,1225 0.109,1226 4.413,1227 0.146,1228 3.594,1229 0.039,1230 6.474,1231 0.358,1232 4.035,1233 0.107,1234 3.049,1235 4.094,1236 1.081,1237 10.033,1238 3.003,1239 1.973,1240 1.953,1241 2.056,1242 2.064,1243 1.203,1244 2.062,1245 1.914,1246 1.889,1247 2.025,1248 2.01,1249 1.152,1250 2.016,1251 1.716,1252 1.682,1253 1.831,1254 1.852,1255 0.869,1256 1.847,1257 1.46,1258 1.398,1259 1.718,1260 1.68,1261 0.818,1262 1.691,1263 1.185,1264 1.111,1265 1.563,1266 1.49,1267 0.57,1268 1.515,1269 1.073,1270 1.039,1271 1.253,1272 1.332,1273 0.276,1274 1.311,1275 0.886,1276 0.821,1277 1.181,1278 1.068,1279 0.218,1280 1.107,1281 0.858,1282 0.804,1283 1.124,1284 1.062,1285 0.195,1286 1.078,1287 4.043,1289 5.342,1291 6.845,1293 8.432,1295 10.062,1297 3.462,1299 14.438,1305 2.879,1306 5.199,1308 -0.236,1314 29.597,1315 70.184,1316 154.144,1317 201.094,1318 227.624,1319 229.624,1320 229.624,1321 54.442,1322 6.984,1323 51.22,1324 51.22,1325 18,1326 12.293,1327 4.322,1328 3.459,1329 44.532,1330 105,1331 98,1332 0.207,1333 183.535,1334 321.33,1335 439.585,1336 9716,1337 2.2,1338 18.518,1339 0.712,1340 0.56,1341 17.648,1342 14.57,1343 12.58,1344 0.449,1345 0.294,1346 8.114,1347 12.1,1348 7.87,1349 6.579,1350 12.169,1351 8.23,1352 11.004,1353 0.29,1354 0.155,1355 10.464,1356 5.902,1357 9.285,1358 0.189,1359 0.085,1360 8.887,1361 4.164,1362 7.432,1363 0.124,1364 0.045,1365 6.983,1366 2.696,1367 5.858,1368 0.08,1369 0.024,1370 5.487,1371 1.762,1372 0.33,1373 78.945,1374 0.233,1375 25.397,1376 0.556,1377 132,1378 451.56,1379 144.365,1380 411.274,1381 549.12,1382 384,1383 153,1384 389.6,1385 164.474,1386 392.909,1387 567.3,1388 368,1389 5.1}
{0 CHEMBL2005112,1 1.676,2 10.906,3 5.391,4 29.061,5 123.924,6 10.132,7 0.583,8 4.007,9 4.1,10 3.841,11 3.652,12 5.262,13 3.644,14 4.487,15 4.614,16 4.294,17 4.056,18 5.685,19 4.039,20 4.708,21 4.846,22 4.417,23 4.192,24 5.989,25 4.175,26 4.82,27 4.976,28 4.421,29 4.208,30 6.156,31 4.187,32 4.814,33 4.974,34 4.366,35 4.175,36 6.164,37 4.154,38 4.781,39 4.924,40 4.441,41 4.173,42 6.251,43 4.129,44 4.8,45 4.994,46 4.148,47 4.089,48 6.02,49 4.007,50 4.707,51 4.934,52 4.022,53 3.964,54 5.956,55 3.863,56 0.095,57 0.685,58 4.334,59 3.659,60 11.588,61 3.921,62 0.224,63 1.118,64 10.385,65 6.333,66 16.617,67 7.295,68 0.293,69 1.38,70 21.459,71 8.154,72 31.877,73 8.406,74 0.458,75 1.549,76 21.117,77 8.787,78 48.393,79 8.953,80 0.529,81 1.461,82 24.435,83 9.256,84 85.342,85 8.857,86 0.601,87 1.405,88 17.83,89 9.216,90 90.21,91 9.99,92 0.497,93 1.455,94 25.005,95 9.886,96 76.401,97 10.331,98 0.458,99 1.335,100 40.127,101 10.735,102 70.608,103 13.153,104 38,105 54,106 0.276,107 0.679,108 0.767,109 0.87,110 0.886,111 0.886,112 3.503,113 0.883,114 -5,115 -4.9,116 -4.6,117 1,119 50,120 2,135 1,136 3,142 8,143 1,144 2,146 2,152 1,153 1,158 2,161 1,166 1,172 10,174 2,175 12,178 1,180 1,183 13,188 16,191 1,193 1,196 7,199 3,200 17,205 4,208 9,213 8,218 2,221 13,224 5,225 11,228 2,230 4,233 16,238 2,246 12,249 4,250 8,253 2,255 1,258 9,264 6,269 2,272 6,276 1646,277 21.577,278 21.577,279 21.577,280 21.577,281 21.577,282 18.415,283 21.112,284 12.214,285 22.012,286 17.651,287 17.651,288 17.651,289 17.651,290 17.651,291 12.724,292 23.59,293 5.662,294 18.453,295 3.909,296 1.459,297 0.922,298 0.297,299 0.198,300 0.198,301 4.205,306 1,307 772,308 3,311 129.301,312 243.165,315 212.9,319 1.537,320 37.782,323 1,324 0.83,325 1,326 0.4,328 1,329 1,330 0.75,331 68.25,332 349,333 4.818,334 4.099,335 7.153,336 4.386,337 3.421,338 4.686,339 2.035,340 12.48,341 3.306,342 4.586,343 3.749,344 6.78,345 4.161,346 3.209,347 4.34,348 0.98,349 11.056,350 3.052,351 4.297,352 3.361,353 6.415,354 3.815,355 2.834,356 3.903,358 9.751,359 2.772,360 4.032,361 2.985,362 6.047,363 3.583,364 2.625,365 3.611,367 8.534,368 2.513,369 3.858,370 2.922,371 5.909,372 3.397,373 2.407,374 3.159,376 8.019,377 2.372,378 3.537,379 2.818,380 5.586,381 3.072,382 2.142,383 2.899,385 6.874,386 2.015,387 3.429,388 2.501,389 5.12,390 2.994,391 2.059,392 2.726,394 6.048,395 1.826,396 3.236,397 2.178,398 4.774,399 2.605,400 1.679,401 2.317,403 4.752,404 1.541,405 3.024,406 2.026,407 4.651,408 2.513,409 1.547,410 2.178,412 4.451,413 1.486,414 3.002,415 1.692,416 4.332,417 2.331,418 1.348,419 1.954,421 3.8,422 1.326,423 2.828,424 1.555,425 3.969,426 2.303,427 1.333,428 1.888,430 2.964,431 1.224,432 2.78,433 1.423,434 3.698,435 2.097,436 1.109,437 1.618,439 2.565,440 1.086,441 2.594,442 1.257,443 3.572,444 1.922,445 0.951,446 1.511,448 2.264,449 0.917,450 2.319,451 1.082,452 3.477,453 1.647,454 0.67,455 0.986,457 1.646,458 0.652,459 1.948,460 0.84,461 3.241,462 1.37,463 0.384,464 0.567,466 0.982,467 0.374,468 16,469 0.5,470 0.943,471 0.029,472 46.75,473 1.461,474 26,475 0.813,476 20.75,477 0.648,478 27.744,479 0.867,480 30.8,481 0.642,482 37.054,483 1.158,484 8.992,485 0.281,486 6.409,487 0.2,488 0.213,490 0.425,496 0.732,497 1.075,498 0.472,499 0.752,500 0.643,501 0.743,502 0.547,503 1.113,504 0.531,505 0.765,506 0.504,507 0.739,508 1.029,509 1.181,510 0.935,511 0.982,512 0.783,513 0.895,514 1.206,515 1.046,516 0.708,517 0.949,518 1.09,519 0.971,520 1.661,521 0.912,522 0.728,523 0.823,524 1.768,525 0.862,526 0.858,527 1.047,528 0.665,529 1.043,530 1.071,531 1.101,532 1.416,533 1.048,534 0.779,535 0.966,536 1.433,537 1.121,538 0.601,539 0.926,540 1.167,541 1.13,542 0.67,543 1.06,544 6,545 0.189,546 4.444,547 3.806,548 2.721,549 1.664,550 0.99,551 0.698,552 0.426,553 0.298,554 13221,555 41533,556 2.097,557 33.3,558 3,559 9,562 1,563 3,567 1.749,568 1.92,569 3.383,570 -0.341,577 80.429,578 1.676,579 4.126,580 4.663,581 5.288,582 5.387,583 5.387,584 2.804,585 4.813,586 4.973,587 3.555,588 1763.46,589 8.724,590 24348.2,595 268.078,596 1.505,597 4.912,598 0.167,599 0.007,600 0.082,601 0.063,602 0.047,603 0.03,604 0.019,605 0.017,606 0.011,607 0.009,608 0.453,609 0.33,610 0.75,611 0.765,612 164.574,613 -0.025,614 -0.055,615 0.001,616 0.005,617 -0.069,618 0.016,619 0.176,620 -0.087,621 0.056,622 0.048,623 0.032,624 0.094,625 -0.081,626 -0.142,627 -0.074,628 -0.099,629 0.002,630 -0.046,631 -0.092,632 0.005,633 -0.045,634 -0.098,635 -0.018,636 -0.109,637 -0.313,638 0.086,639 -0.04,640 0.071,641 -0.249,642 0.037,643 0.316,644 -0.085,645 0.024,646 -0.151,647 0.227,648 -0.2,649 -0.285,650 -0.068,651 -0.063,652 -0.032,653 -0.233,654 -0.132,655 0.265,656 0.016,657 -0.056,658 -0.059,659 0.224,660 0.064,661 1.973,662 6.508,663 0.75,664 27.867,665 1.014,666 1.109,667 3.771,668 14.219,669 0.747,670 3.611,671 4.007,672 4.382,673 4.727,674 4.99,675 5.159,676 5.313,677 5.497,678 5.572,679 5.666,680 6.438,681 0.723,682 486.35,683 3.611,684 5.198,685 6.103,686 7.029,687 7.952,688 8.885,689 9.815,690 10.752,691 11.685,692 12.624,693 10.4,701 2,702 1,703 2,708 2,709 8,710 2,714 6,715 2,716 21,732 1,734 1,735 48,737 25,738 2,739 36,740 1,741 52,742 24,743 16,744 4,745 8,746 5,748 5,749 8,754 2,761 1,762 21,763 2,767 3,772 1,774 1,776 4,783 16,784 5,785 1,786 8,787 1,789 1,792 5,797 0.6,798 2,807 1,815 2,816 3,819 2,825 1,834 1,835 3,843 3,846 1,847 2,851 32,857 1,866 1,870 1,872 1,873 1,874 4.2,876 1,877 1,881 16.667,882 9.76,883 6.917,884 2.84,886 5.154,887 1.612,888 1.02,889 4.855,890 13.574,891 3.961,892 4.644,893 5.355,894 6.03,895 6.592,896 7.057,897 7.543,898 8.039,899 8.401,900 8.83,901 1,902 60,903 11.838,905 5.265,906 7.883,907 22.072,909 18.49,911 2.383,912 76.25,916 176.567,917 152.17,918 114.138,920 67.828,923 198.124,924 244.395,925 68.184,926 17.65,928 85.286,929 124.911,930 58.19,931 2.144,932 176.567,933 45.954,934 176.567,935 220.354,936 67.828,938 45.954,939 176.567,940 67.828,943 59.614,944 117.815,945 42.925,946 45.954,947 176.567,948 136.012,949 198.124,952 176.567,953 32.632,954 106.612,955 62.556,956 132.336,957 176.567,958 136.012,959 198.124,961 0.596,962 0.375,963 0.216,964 0.119,965 29,966 14,967 0.038,968 2,969 2,970 1.167,971 4.085,972 322.821,973 0.167,974 24,975 160,981 20.448,982 7.597,983 3.154,984 1.267,985 132.336,986 14.637,987 8.949,991 2.732,992 2.875,993 42.683,994 510.703,995 51.5,1000 13.508,1002 1.596,1004 0.835,1007 48.694,1008 53.243,1009 0.3,1010 0.739,1011 0.835,1012 0.947,1013 0.965,1014 0.965,1015 5.238,1016 1.679,1017 6.129,1018 6.048,1019 4.691,1020 5.333,1021 2.416,1022 7.043,1023 4.608,1024 6.509,1025 1.547,1026 7.756,1027 4.752,1028 4.443,1029 5.286,1031 8.124,1032 4.294,1033 7.863,1034 1.348,1035 9.482,1036 4.451,1037 6.385,1038 7.659,1039 3.614,1040 11.3,1041 6.231,1042 9.255,1043 1.333,1044 11.266,1045 3.8,1046 6.957,1047 8.45,1049 13.2,1050 6.749,1051 10.679,1052 1.109,1053 13.086,1054 2.964,1055 8.401,1056 10.293,1057 4.975,1058 15.913,1059 8.176,1060 12.127,1061 0.951,1062 14.931,1063 2.565,1064 9.331,1065 11.472,1067 18.15,1068 9.057,1069 13.594,1070 0.67,1071 16.794,1072 2.264,1073 10.602,1074 13.108,1075 6.381,1076 20.713,1077 10.302,1078 3.421,1079 0.384,1080 18.671,1081 1.646,1082 11.687,1083 14.468,1085 23.095,1086 11.343,1087 3.209,1088 12.48,1089 20.559,1090 0.982,1091 12.902,1092 16.024,1093 7.798,1094 25.61,1095 12.526,1096 2.834,1097 11.056,1098 22.456,1099 4.686,1100 14.053,1101 17.469,1103 28.058,1104 13.636,1105 2.625,1106 9.751,1107 24.361,1108 4.34,1109 15.254,1110 18.997,1111 9.218,1112 30.56,1113 14.803,1114 2.407,1115 8.534,1116 26.272,1117 3.903,1118 16.435,1119 20.482,1121 33.039,1122 15.945,1123 2.142,1124 8.019,1125 28.188,1126 3.611,1127 17.636,1128 22.002,1129 10.638,1130 35.541,1131 17.111,1132 2.059,1133 6.874,1134 30.109,1135 3.159,1136 18.831,1137 23.507,1139 38.036,1140 18.269,1141 12388,1142 22109,1143 23.698,1144 35.858,1145 57.753,1146 60.19,1147 59.444,1148 55.725,1149 55.434,1150 76.687,1151 6.029,1152 172.371,1153 52.925,1154 5.676,1155 6.099,1156 6.833,1157 5.437,1158 5.421,1159 7.686,1160 4.069,1161 20.48,1162 5.306,1163 17.64,1164 1.604,1165 1.672,1166 1.651,1167 1.548,1168 1.54,1169 2.13,1170 0.167,1171 4.788,1172 1.47,1173 4.171,1174 4.205,1175 6.88,1176 4.053,1177 7.428,1178 4.072,1179 4.022,1180 4.062,1181 4.153,1182 3.911,1183 6.82,1184 3.917,1185 3.802,1186 3.825,1187 3.976,1188 3.756,1189 6.471,1190 3.748,1191 3.691,1192 3.723,1193 3.712,1194 3.595,1195 5.008,1196 3.602,1197 3.305,1198 3.352,1199 3.592,1200 3.118,1201 4.885,1202 3.149,1203 3.242,1204 3.289,1205 3.273,1206 3.097,1207 4.628,1208 3.107,1209 3.11,1210 3.196,1211 3.16,1212 2.933,1213 4.411,1214 2.903,1215 3.009,1216 3.093,1217 2.909,1218 2.84,1219 4.172,1220 2.804,1221 0.134,1222 0.114,1223 0.199,1224 0.122,1225 0.095,1226 4.818,1227 0.13,1228 4.099,1229 0.057,1230 7.153,1231 0.347,1232 4.386,1233 0.092,1234 3.421,1235 4.686,1236 2.035,1237 12.48,1238 3.306,1239 1.946,1240 1.923,1241 2.022,1242 2.058,1243 1.166,1244 2.043,1245 1.895,1246 1.87,1247 1.966,1248 1.992,1249 1.09,1250 1.992,1251 1.854,1252 1.831,1253 1.939,1254 1.945,1255 1.06,1256 1.945,1257 1.577,1258 1.545,1259 1.746,1260 1.714,1261 0.861,1262 1.723,1263 1.311,1264 1.249,1265 1.503,1266 1.576,1267 0.569,1268 1.537,1269 1.228,1270 1.168,1271 1.424,1272 1.477,1273 0.501,1274 1.481,1275 1.129,1276 1.087,1277 1.239,1278 1.335,1279 0.295,1280 1.311,1281 0.957,1282 0.883,1283 1.157,1284 1.196,1285 0.198,1286 1.196,1287 4.29,1289 5.666,1290 3.045,1291 7.244,1292 5.533,1293 8.915,1294 7.735,1295 10.638,1296 3.426,1297 3.479,1302 10.936,1312 9.821,1313 2.188,1314 34.723,1315 80.429,1316 198.039,1317 223.814,1318 253.814,1319 258.568,1320 258.568,1321 62.712,1322 8.42,1323 96.21,1324 96.21,1325 28,1326 13.121,1327 4.7,1328 4.044,1329 45.543,1330 123,1331 125,1332 0.182,1333 216.914,1334 373.26,1335 521.03,1336 55190,1337 2.1,1338 22.568,1339 0.705,1340 0.586,1341 23.568,1342 18.752,1343 15.401,1344 0.428,1345 0.294,1346 9.744,1347 14.361,1348 9.412,1349 7.789,1350 15.978,1351 10.598,1352 14.307,1353 0.265,1354 0.155,1355 15.123,1356 8.365,1357 13.038,1358 0.165,1359 0.076,1360 13.563,1361 6.025,1362 11.583,1363 0.103,1364 0.038,1365 12.09,1366 4.302,1367 9.302,1368 0.064,1369 0.02,1370 9.712,1371 2.889,1372 0.279,1373 104.14,1374 0.205,1375 29.234,1376 0.518,1377 180,1378 534.765,1379 260.985,1380 566.278,1381 775.89,1382 526,1383 223,1384 566.721,1385 268.765,1386 587.78,1387 871.66,1388 554,1389 5.1}
{0 CHEMBL2005186,1 1.552,2 13.118,3 4.724,4 22.319,5 128.495,6 7.803,7 0.711,8 4.174,9 4.294,10 3.786,11 3.731,12 5.322,13 3.724,14 4.672,15 4.829,16 4.144,17 4.101,18 5.804,19 4.08,20 4.903,21 5.099,22 4.165,23 4.195,24 6.017,25 4.149,26 4.924,27 5.155,28 4.106,29 4.144,30 5.966,31 4.089,32 4.837,33 5.033,34 4.085,35 4.113,36 5.98,37 4.07,38 4.838,39 5.038,40 4.085,41 4.167,42 5.893,43 4.116,44 4.835,45 5.022,46 4.133,47 4.228,48 5.916,49 4.164,50 4.897,51 5.095,52 4.071,53 4.228,54 5.969,55 4.138,56 0.068,57 0.891,58 10.778,59 4.847,60 9.461,61 6.113,62 0.219,63 1.4,64 19.839,65 8.068,66 25.785,67 10.476,68 0.467,69 1.676,70 27.707,71 9.647,72 53.463,73 12.826,74 0.346,75 1.669,76 30.142,77 10.243,78 45.235,79 14.13,80 0.501,81 1.528,82 26.548,83 9.229,84 59.291,85 11.917,86 0.366,87 1.526,88 26.59,89 9.695,90 41.426,91 12.588,92 0.275,93 1.585,94 24.653,95 10.183,96 32.645,97 13.553,98 0.327,99 1.627,100 27.075,101 11.305,102 46.306,103 15.15,104 15,105 53,106 0.248,107 0.605,108 0.764,109 0.869,110 0.882,111 0.882,112 3.561,113 0.872,114 -5.15,115 -5.05,116 -4.72,119 44.8,120 2,125 1,127 1,142 11,143 3,144 2,145 1,146 1,147 1,149 1,152 1,158 1,168 1,172 10,174 1,175 8,178 2,180 7,183 11,187 1,188 11,191 1,193 5,196 6,200 11,203 1,205 3,208 4,212 2,213 9,216 1,217 1,218 5,221 10,225 4,230 3,233 15,237 1,238 6,241 2,243 3,246 22,249 2,250 3,253 2,255 1,258 15,263 1,264 6,267 1,269 3,272 7,276 2262,277 23.187,278 23.187,279 23.187,280 23.187,281 23.187,282 19.976,283 20.292,284 13.801,285 23.579,286 18.84,287 18.84,288 18.84,289 18.84,290 18.84,291 13.933,292 31.925,293 6.635,294 19.484,295 4.306,296 2.075,297 1.074,298 0.418,299 0.336,300 0.336,301 4.271,305 1,306 1,307 980,308 3.808,311 75.859,312 360.273,315 128.372,316 149.371,319 2.073,320 27.069,323 1,324 0.83,325 1,326 0.6,328 1,329 1,330 0.78,331 73,332 446,333 4.569,334 3.618,335 6.575,336 4.096,337 3.134,338 4.497,339 2.03,340 10.502,341 3.018,342 4.42,343 3.183,344 6.194,345 3.916,346 2.935,347 4.362,348 0.892,349 9.26,350 2.877,351 4.162,352 2.961,353 6.108,354 3.75,355 2.773,356 3.795,357 0.4,358 8.953,359 2.71,360 3.746,361 2.893,362 5.42,363 3.482,364 2.508,365 3.135,366 0.141,367 7.081,368 2.433,369 3.706,370 2.55,371 5.347,372 3.297,373 2.342,374 3.074,376 6.932,377 2.235,378 3.609,379 2.447,380 5.158,381 3.225,382 2.28,383 2.851,385 6.422,386 2.142,387 3.374,388 2.24,389 5.023,390 2.885,391 1.924,392 2.761,394 5.794,395 1.846,396 3.04,397 1.972,398 4.426,399 2.834,400 1.839,401 2.301,403 4.395,404 1.818,405 3.034,406 1.691,407 4.364,408 2.523,409 1.552,410 2.27,412 4.21,413 1.507,414 2.958,415 1.534,416 4.283,417 2.517,418 1.534,419 2.001,421 4.135,422 1.502,423 2.822,424 1.431,425 3.786,426 2.327,427 1.347,428 1.936,430 2.996,431 1.316,432 2.625,433 1.254,434 3.6,435 2.131,436 1.15,437 1.683,439 2.699,440 1.127,441 2.587,442 1.16,443 3.481,444 2.066,445 1.097,446 1.629,448 2.494,449 1.06,450 2.385,451 1.1,452 3.441,453 1.899,454 0.925,455 1.334,457 2.322,458 0.899,459 1.952,460 0.957,461 3.084,462 1.468,463 0.563,464 0.698,466 1.3,467 0.501,468 16.067,469 0.473,470 0.797,471 0.023,472 48.75,473 1.434,474 26.5,475 0.779,476 22.25,477 0.654,478 26.128,479 0.768,480 34.933,481 0.602,482 38.539,483 1.133,484 9.666,485 0.284,486 6.881,487 0.202,488 0.083,490 0.342,496 0.811,497 1.168,498 0.746,499 0.982,500 0.676,501 0.87,502 0.886,503 1.18,504 0.814,505 1.023,506 0.649,507 0.931,508 1.174,509 1.119,510 1.041,511 0.983,512 1.109,513 0.985,514 1.088,515 1.039,516 0.887,517 0.909,518 0.935,519 0.867,520 1.397,521 0.907,522 1.055,523 0.884,524 1.644,525 0.919,526 1.351,527 0.86,528 0.98,529 0.802,530 1.104,531 0.832,532 0.735,533 0.97,534 0.939,535 1.035,536 0.782,537 1.02,538 0.7,539 1.069,540 1.032,541 1.191,542 0.699,543 1.178,544 7,545 0.156,546 3.111,547 1.882,548 1.737,549 0.886,550 0.638,551 0.568,552 0.355,553 0.302,554 17613,555 45886,556 2.145,557 41.4,559 14,561 1,562 3,564 6,567 1.762,568 2.04,569 3.667,570 0.811,577 90.003,578 1.552,579 3.783,580 4.784,581 5.44,582 5.522,583 5.522,584 3.136,585 4.735,586 5.053,587 3.854,588 2162.02,589 8.879,590 33286.3,592 1,595 339.763,596 1.286,597 5.033,598 0.184,599 0.005,600 0.059,601 0.036,602 0.035,603 0.018,604 0.013,605 0.011,606 0.008,607 0.008,608 0.377,609 0.17,610 0.88,611 1.207,612 182.674,613 -0.019,614 -0.027,615 0.049,617 -0.08,618 0.03,619 0.065,620 -0.102,621 0.062,622 -0.047,623 0.073,624 -0.007,625 -0.034,626 -0.077,627 -0.085,628 -0.031,629 -0.058,630 -0.057,631 -0.059,632 -0.043,633 0.115,634 0.055,635 0.02,636 0.105,637 -0.08,638 0.114,639 -0.075,640 0.073,641 -0.141,642 0.009,643 -0.222,644 0.137,645 -0.017,646 0.186,647 -0.132,648 0.129,649 0.042,650 0.055,651 -0.042,652 -0.031,653 -0.01,654 -0.046,655 0.108,656 -0.093,657 -0.109,658 -0.172,659 0.058,660 -0.18,661 1.83,662 4.936,663 0.735,664 40.298,665 1.004,666 1.123,667 3.922,668 15.384,669 0.686,670 3.664,671 3.989,672 4.248,673 4.543,674 4.779,675 4.89,676 5.1,677 5.278,678 5.425,679 5.533,680 7.729,681 0.66,682 452.56,683 3.664,684 5.209,685 6.057,686 6.936,687 7.801,688 8.686,689 9.56,690 10.448,691 11.328,692 12.219,693 10.3,700 1,701 2,703 3,708 4,709 12,710 3,711 1,714 5,716 27,728 1,733 1,735 58,737 28,738 3,739 38,741 62,742 26,743 21,744 7,745 11,748 5,749 7,754 2,760 1,762 22,763 4,767 1,772 1,776 1,783 24,784 7,785 3,786 8,792 6,797 0.6,798 2,807 1,810 1,815 1,816 4,819 1,820 1,829 1,843 3,847 2,851 34,858 1,860 2,861 1,863 1,874 3.4,877 1,879 1,881 16.667,882 11.017,883 7.361,884 3.442,886 5.343,887 1.633,888 1.019,889 6.217,890 13.781,891 3.98,892 4.627,893 5.253,894 5.901,895 6.487,896 6.86,897 7.375,898 7.878,899 8.304,900 8.689,901 0.889,902 52,903 12.52,905 5.324,906 7.691,907 23.87,909 19.495,911 2.191,912 74.5,915 1,916 247.193,917 165.509,918 102.919,920 36.145,923 165.509,924 283.338,925 102.919,926 17.65,927 22.603,928 104.239,929 91.855,930 75.525,931 4.472,932 235.422,934 247.193,935 268.428,936 36.145,939 178.894,940 106.771,943 86.119,944 129.747,945 50.234,947 247.193,948 139.063,949 165.509,952 247.193,953 34.573,954 130.937,955 52.685,956 86.379,957 247.193,958 139.063,959 165.509,961 0.58,962 0.325,963 0.182,964 0.096,965 26,966 11,967 0.113,968 7,969 2,970 1.16,971 4.543,972 323.567,973 0.16,974 25,975 170.974,981 22.022,982 9.598,983 5.091,984 3.714,985 122.4,986 23.074,987 13.68,988 2.962,991 3.527,993 52.685,994 551.766,995 52.5,1000 11.936,1004 -0.163,1007 58.218,1008 65.145,1009 0.265,1010 0.646,1011 0.817,1012 0.929,1013 0.943,1014 0.943,1015 5.203,1016 1.839,1017 6.033,1018 5.794,1019 4.673,1020 5.316,1021 2.304,1022 6.823,1023 4.607,1024 6.42,1025 1.552,1026 7.572,1027 4.395,1028 4.205,1029 5.121,1030 1.593,1031 7.644,1032 4.121,1033 7.728,1034 1.534,1035 9.207,1036 4.21,1037 6.244,1038 7.584,1039 3.268,1040 10.742,1041 6.114,1042 9.072,1043 1.347,1044 10.899,1045 4.135,1046 6.581,1047 8.238,1048 3.201,1049 12.398,1050 6.429,1051 10.447,1052 1.15,1053 12.629,1054 2.996,1055 8.081,1056 10.156,1057 4.494,1058 14.996,1059 7.892,1060 11.846,1061 1.097,1062 14.386,1063 2.699,1064 8.807,1065 11.232,1066 4.75,1067 17.014,1068 8.592,1069 13.263,1070 0.925,1071 16.162,1072 2.494,1073 10.077,1074 12.91,1075 5.814,1076 19.432,1077 9.83,1078 3.134,1079 0.563,1080 17.953,1081 2.322,1082 10.998,1083 14.197,1084 6.248,1085 21.614,1086 10.722,1087 2.935,1088 10.502,1089 19.756,1090 1.3,1091 12.169,1092 15.767,1093 7.174,1094 23.967,1095 11.862,1096 2.773,1097 9.26,1098 21.568,1099 4.497,1100 13.186,1101 17.158,1102 7.714,1103 26.225,1104 12.848,1105 2.508,1106 8.953,1107 23.389,1108 4.362,1109 14.318,1110 18.68,1111 8.557,1112 28.557,1113 13.949,1114 2.342,1115 7.081,1116 25.216,1117 3.795,1118 15.384,1119 20.122,1120 9.16,1121 30.852,1122 14.981,1123 2.28,1124 6.932,1125 27.049,1126 3.135,1127 16.501,1128 21.623,1129 9.952,1130 33.179,1131 16.066,1132 1.924,1133 6.422,1134 28.886,1135 3.074,1136 17.593,1137 23.089,1138 10.594,1139 35.493,1140 17.122,1141 16500,1142 26798,1143 25.948,1144 39.796,1145 57.325,1146 58.097,1147 57.633,1148 56.723,1149 56.775,1150 77.956,1151 6.927,1152 161.351,1153 54.914,1154 5.464,1155 5.618,1156 6.257,1157 5.174,1158 5.134,1159 7.497,1160 3.634,1161 17.485,1162 5.018,1163 14.31,1164 1.509,1165 1.529,1166 1.517,1167 1.493,1168 1.494,1169 2.051,1170 0.182,1171 4.246,1172 1.445,1173 4.13,1174 4.169,1175 4.096,1176 4.028,1177 7.429,1178 4.039,1179 4.04,1180 4.077,1181 4.007,1182 3.945,1183 5.12,1184 3.954,1185 3.875,1186 3.897,1187 3.818,1188 3.806,1189 5.048,1190 3.804,1191 3.716,1192 3.78,1193 3.608,1194 3.519,1195 4.803,1196 3.527,1197 3.466,1198 3.532,1199 3.398,1200 3.28,1201 4.495,1202 3.302,1203 3.409,1204 3.455,1205 3.283,1206 3.194,1207 4.419,1208 3.211,1209 3.297,1210 3.355,1211 3.213,1212 3.126,1213 4.307,1214 3.142,1215 3.031,1216 3.091,1217 2.945,1218 2.903,1219 4.215,1220 2.904,1221 0.12,1222 0.095,1223 0.173,1224 0.108,1225 0.082,1226 4.569,1227 0.118,1228 3.618,1229 0.053,1230 6.575,1231 0.276,1232 4.096,1233 0.079,1234 3.134,1235 4.497,1236 2.03,1237 10.502,1238 3.018,1239 2.035,1240 2.008,1241 2.1,1242 2.142,1243 1.203,1244 2.13,1245 1.921,1246 1.897,1247 2.005,1248 2.007,1249 1.134,1250 2.008,1251 1.859,1252 1.838,1253 1.967,1254 1.957,1255 1.103,1256 1.958,1257 1.67,1258 1.603,1259 1.923,1260 1.886,1261 1.06,1262 1.899,1263 1.367,1264 1.325,1265 1.578,1266 1.647,1267 0.722,1268 1.605,1269 1.321,1270 1.267,1271 1.47,1272 1.608,1273 0.489,1274 1.595,1275 1.304,1276 1.229,1277 1.448,1278 1.509,1279 0.469,1280 1.499,1281 1.086,1282 1.034,1283 1.417,1284 1.28,1285 0.407,1286 1.308,1287 4.344,1289 5.666,1290 2.398,1291 7.175,1292 4.595,1293 8.775,1294 6.581,1295 10.426,1297 3.822,1303 -0.052,1305 6.252,1306 5.685,1308 0.063,1314 38.299,1315 90.003,1316 219.405,1317 277.444,1318 315.498,1319 320.253,1320 320.253,1321 50.045,1322 8.438,1323 104.82,1324 104.82,1325 29,1326 12.75,1327 4.858,1328 3.954,1329 49.916,1330 154,1331 176,1332 0.153,1333 233.906,1334 391.32,1335 562.492,1336 62547,1338 23.493,1339 0.691,1340 0.555,1341 23.493,1342 18.871,1343 16.547,1344 0.435,1345 0.291,1346 10.902,1347 15.954,1348 10.61,1349 8.857,1350 16.547,1351 11.046,1352 15.171,1353 0.286,1354 0.156,1355 15.171,1356 8.249,1357 12.25,1358 0.178,1359 0.076,1360 12.25,1361 5.218,1362 10.762,1363 0.116,1364 0.04,1365 10.762,1366 3.696,1367 8.594,1368 0.073,1369 0.02,1370 8.594,1371 2.382,1372 0.243,1373 103.354,1374 0.196,1375 31.553,1376 0.417,1377 182,1378 519.405,1379 199.192,1380 508.397,1381 709.27,1382 478,1383 213,1384 539.049,1385 230.388,1386 546.502,1387 797.31,1388 515,1389 5.6}
{0 CHEMBL2005216,1 1.843,2 11.714,3 2.433,4 5.921,5 108.03,6 8.591,7 0.516,8 4.015,9 4.129,10 3.839,11 3.579,12 5.051,13 3.542,14 4.588,15 4.748,16 4.129,17 3.976,18 5.868,19 3.926,20 4.88,21 5.108,22 4.085,23 4.088,24 5.882,25 3.996,26 4.86,27 5.103,28 4.115,29 4.065,30 5.846,31 3.954,32 4.83,33 5.058,34 4.021,35 4.025,36 5.897,37 3.916,38 4.757,39 4.982,40 4.025,41 3.952,42 5.815,43 3.845,44 4.625,45 4.858,46 3.884,47 3.839,48 5.687,49 3.705,50 4.439,51 4.651,52 3.704,53 3.709,54 5.449,55 3.588,56 0.131,57 0.811,58 11.204,59 4.458,60 18.393,61 5.311,62 0.471,63 1.282,64 22.314,65 8.053,66 64.629,67 10.004,68 0.604,69 1.511,70 32.272,71 9.959,72 77.304,73 12.998,74 0.605,75 1.471,76 35.882,77 10.756,78 62.528,79 13.97,80 0.631,81 1.363,82 35.045,83 10.675,84 81.971,85 13.237,86 0.6,87 1.216,88 32.396,89 9.296,90 75.832,91 12.1,92 0.611,93 1.049,94 32.968,95 8.591,96 61.08,97 11.24,98 0.398,99 0.93,100 24.912,101 6.817,102 43.1,103 8.796,104 19,105 45,106 0.31,107 0.648,108 0.787,109 0.824,110 0.851,111 0.851,112 3.374,113 1.098,114 -3.68,115 -3.65,116 -3.47,119 36.7,121 4,124 1,127 2,142 3,143 2,145 1,147 2,149 1,151 1,161 1,172 5,174 2,175 7,178 4,180 7,183 5,188 4,193 5,196 3,200 9,203 3,205 3,208 4,212 2,213 8,217 1,218 1,221 4,225 2,229 1,230 3,233 6,238 4,241 4,243 2,246 8,255 2,258 4,263 2,264 4,267 1,269 4,272 4,276 1258,277 18.497,278 18.497,279 18.497,280 18.497,281 18.497,282 16.278,283 15.961,284 10.789,285 19.051,286 15.38,287 15.38,288 15.38,289 15.38,290 15.38,291 11.969,292 22.882,293 5.212,294 16.375,295 3.772,296 1.755,297 0.929,298 0.709,299 0.546,300 0.546,301 4.069,303 1,305 1,306 1,307 713,308 3.464,311 60.658,312 261.106,315 114.772,319 1.857,320 33.814,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 61.333,332 328,333 4.635,334 4.311,335 6.714,336 4.136,337 3.167,338 4.535,339 0.4,340 10.928,341 3.073,342 4.6,343 3.205,344 6.455,345 4.075,346 3.139,347 4.429,349 10.195,350 2.918,351 4.151,352 2.977,353 5.871,354 3.706,355 2.772,356 3.816,358 8.377,359 2.596,360 3.667,361 2.762,362 5.556,363 3.506,364 2.552,365 2.959,367 7.469,368 2.413,369 3.516,370 2.461,371 5.286,372 3.166,373 2.213,374 2.683,376 6.698,377 2.103,378 3.303,379 2.313,380 5.039,381 2.982,382 2.073,383 2.459,385 6.05,386 1.886,387 3.046,388 1.98,389 4.689,390 2.676,391 1.789,392 2.319,394 5.105,395 1.504,396 2.993,397 1.547,398 4.501,399 2.513,400 1.547,401 2.131,403 4.231,404 1.487,405 2.9,406 1.457,407 4.004,408 2.372,409 1.434,410 1.99,412 3.444,413 1.327,414 2.524,415 1.037,416 3.564,417 2,418 1.028,419 1.535,421 2.559,422 1,423 2,424 1,425 3.414,426 1.986,427 1,428 1,430 2.275,431 0.98,432 1.973,433 0.81,434 3.182,435 1.427,436 0.489,437 0.721,439 1.18,440 0.457,441 1.385,442 0.497,443 3.094,444 1.221,445 0.278,446 0.296,448 0.732,449 0.261,450 1,451 0.359,452 2.903,453 0.707,454 -0.232,455 -0.262,457 -0.699,458 -0.208,459 1,460 0.207,461 2.555,462 0.421,463 -0.405,464 -0.509,466 -1.043,467 -0.266,468 13.614,469 0.486,470 0.887,471 0.032,472 36.5,473 1.304,474 17.5,475 0.625,476 19,477 0.679,478 24.916,479 0.89,480 30.786,481 0.628,482 25.404,483 0.907,484 6.462,485 0.231,486 6.909,487 0.247,488 0.138,489 0.061,490 0.294,496 0.636,497 1.482,498 0.702,499 1.178,500 0.661,501 0.924,502 0.558,503 1.252,504 0.87,505 1.155,506 0.431,507 1.024,508 1.163,509 1.058,510 0.853,511 0.824,512 1.076,513 0.938,514 0.763,515 0.94,516 0.869,517 0.955,518 0.66,519 0.913,520 1.153,521 0.908,522 1.017,523 0.95,524 1.265,525 0.96,526 1.194,527 0.994,528 1.025,529 0.897,530 1.258,531 0.979,532 0.987,533 0.828,534 1.363,535 0.972,536 0.768,537 1.034,538 1.221,539 0.987,540 1.367,541 1.046,542 0.971,543 1.127,544 7.5,545 0.186,546 2.444,547 2.132,548 1.463,549 0.653,550 0.838,551 0.299,552 0.317,553 0.161,554 10352,555 33037,556 2.085,557 42.9,559 8,560 1,561 1,562 3,564 8,567 1.708,568 1.942,569 3.494,570 1.023,571 1,572 1,577 90.314,578 1.843,579 3.86,580 4.686,581 4.905,582 5.069,583 5.069,584 2.955,585 4.325,586 4.778,587 3.7,588 1398.59,589 8.293,590 18684.9,592 1,594 1,595 275.121,596 1.572,597 4.728,598 0.242,599 0.009,600 0.054,601 0.052,602 0.037,603 0.018,604 0.025,605 0.01,606 0.013,607 0.007,608 0.466,609 0.33,610 1,611 0.916,612 141.698,613 0.019,614 -0.207,615 0.138,616 -0.075,617 -0.13,618 0.03,619 0.272,620 -0.102,621 -0.043,622 -0.155,623 0.357,624 -0.083,625 -0.221,626 -0.069,627 -0.048,628 0.057,629 -0.15,630 0.008,631 0.049,632 0.055,633 0.056,634 0.03,635 0.033,636 0.079,637 -0.131,638 0.048,639 -0.065,640 0.029,641 -0.149,642 0.024,643 -0.136,644 -0.075,645 -0.012,646 0.022,647 -0.189,648 0.001,649 0.002,650 0.093,651 -0.122,652 -0.009,653 -0.015,654 -0.031,655 -0.263,656 -0.01,657 -0.231,658 -0.084,659 -0.194,660 -0.145,661 4.088,662 4.387,663 0.75,664 27.566,665 1.015,666 1.135,667 2.449,668 5.996,669 0.684,670 3.466,671 3.829,672 4.025,673 4.344,674 4.543,675 4.615,676 4.779,677 4.905,678 4.927,679 5.017,680 6.961,681 0.649,682 420.97,683 3.466,684 5.03,685 5.866,686 6.765,687 7.618,688 8.518,689 9.381,690 10.279,691 11.149,692 12.047,693 12.2,695 1,698 1,701 1,703 3,708 2,709 5,710 3,711 1,714 4,716 16,728 1,734 1,735 49,737 18,739 31,741 52,742 18,743 11,748 4,749 5,750 1,757 6,760 6,762 11,763 7,767 2,770 1,772 2,780 1,783 21,784 7,785 3,786 10,787 2,792 6,797 0.75,798 2,809 1,810 1,811 1,815 1,816 3,819 1,843 3,845 1,847 1,848 1,851 28,855 1,858 4,860 2,863 2,873 1,874 4.1,877 2,881 14.417,882 8.826,883 5.875,884 2.901,886 3.334,887 1.432,888 1.004,889 5.454,890 11.051,891 3.738,892 4.391,893 4.867,894 5.507,895 6.019,896 6.367,897 6.817,898 7.267,899 7.477,900 7.852,901 0.875,902 41,903 10.497,905 4.702,906 7.864,907 19.811,909 16.89,911 2.364,912 66.194,915 1,916 211.88,917 84.861,918 101.558,919 39.149,920 44.313,922 5.807,923 79.054,924 295.341,925 101.558,926 7.19,927 10.138,928 59.689,929 126.167,930 33.919,931 56.319,932 188.338,934 211.88,935 180.611,936 44.313,937 44.956,939 120.039,940 138.482,943 54.091,944 55.825,945 74.175,946 39.149,947 211.88,948 145.871,949 124.01,951 5.807,952 211.88,953 25.34,954 53.714,955 51.201,956 133.818,957 211.88,958 145.871,959 124.01,961 0.593,962 0.313,963 0.178,964 0.098,965 23,966 10,967 0.096,968 5,969 1,970 1.095,971 3.992,972 243.461,973 0.095,974 21,975 128.606,980 1,981 19.434,982 7.858,983 4.765,984 1.704,985 129.085,986 9.089,987 13.284,988 3.12,991 2.391,993 51.201,994 481.76,995 41,998 -3.171,1000 22.775,1007 49.734,1008 55.594,1009 0.328,1010 0.687,1011 0.835,1012 0.874,1013 0.903,1014 0.903,1015 4.997,1016 1.547,1017 5.894,1018 5.105,1019 4.511,1020 5.078,1021 0.278,1022 6.723,1023 4.393,1024 6.24,1025 1.434,1026 7.462,1027 4.231,1028 4.29,1029 5.19,1031 7.789,1032 4.08,1033 7.59,1034 1.028,1035 9.13,1036 3.444,1037 6.172,1038 7.403,1039 0.05,1040 10.772,1041 5.951,1042 8.975,1043 1,1044 10.857,1045 2.559,1046 6.698,1047 8.303,1049 12.605,1050 6.399,1051 10.393,1052 0.489,1053 12.62,1054 2.275,1055 8.118,1056 10.071,1057 0.008,1058 15.17,1059 7.799,1060 11.834,1061 0.278,1062 14.409,1063 1.18,1064 8.976,1065 11.307,1067 17.312,1068 8.592,1069 13.293,1070 -0.232,1071 16.216,1072 0.732,1073 10.219,1074 12.91,1075 0.001,1076 19.742,1077 9.805,1078 3.167,1079 -0.405,1080 18.038,1081 -0.699,1082 11.229,1083 14.291,1085 22.014,1086 10.759,1087 3.139,1088 10.928,1089 19.871,1090 -1.043,1091 12.403,1092 15.83,1094 24.4,1095 11.896,1096 2.772,1097 10.195,1098 21.714,1099 4.535,1100 13.482,1101 17.274,1103 26.727,1104 12.926,1105 2.552,1106 8.377,1107 23.564,1108 4.429,1109 14.631,1110 18.787,1112 29.101,1113 14.036,1114 2.213,1115 7.469,1116 25.42,1117 3.816,1118 15.743,1119 20.26,1121 31.452,1122 15.102,1123 2.073,1124 6.698,1125 27.282,1126 2.959,1127 16.884,1128 21.763,1130 33.823,1131 16.203,1132 1.789,1133 6.05,1134 29.148,1135 2.683,1136 18.011,1137 23.25,1139 36.187,1140 17.288,1141 9855,1142 17752,1143 20.572,1144 33.54,1145 46.999,1146 48.32,1147 47.256,1148 47.209,1149 46.965,1150 61.747,1151 0.8,1152 138.484,1153 44.012,1154 5.635,1155 6.311,1156 6.396,1157 5.211,1158 5.167,1159 7.535,1160 0.8,1161 18.109,1162 5.073,1163 14.165,1164 1.516,1165 1.559,1166 1.524,1167 1.523,1168 1.515,1169 1.992,1170 0.026,1171 4.467,1172 1.42,1173 4.125,1174 4.165,1175 4.715,1176 4.01,1177 7.718,1178 4.023,1179 4.003,1180 4.013,1181 4.11,1182 3.945,1183 6.999,1184 3.841,1185 3.843,1186 3.862,1187 3.921,1188 3.727,1189 5.146,1190 3.692,1191 3.72,1192 3.749,1193 3.71,1194 3.598,1195 4.992,1196 3.586,1197 3.373,1198 3.435,1199 3.352,1200 3.239,1201 4.513,1202 3.239,1203 3.182,1204 3.263,1205 3.239,1206 2.982,1207 4.365,1208 2.98,1209 3.111,1210 3.206,1211 2.992,1212 2.941,1213 4.271,1214 2.91,1215 2.903,1216 2.969,1217 2.866,1218 2.706,1219 4.004,1220 2.731,1221 0.15,1222 0.139,1223 0.217,1224 0.133,1225 0.102,1226 4.635,1227 0.146,1228 4.311,1229 0.013,1230 6.714,1231 0.353,1232 4.136,1233 0.099,1234 3.167,1235 4.535,1236 0.4,1237 10.928,1238 3.073,1239 1.915,1240 1.88,1241 2.082,1242 2.068,1243 1.482,1244 2.089,1245 1.881,1246 1.853,1247 1.961,1248 2.004,1249 1.064,1250 1.996,1251 1.733,1252 1.717,1253 1.783,1254 1.917,1255 0.99,1256 1.916,1257 1.65,1258 1.643,1259 1.62,1260 1.799,1261 0.826,1262 1.845,1263 1.418,1264 1.362,1265 1.561,1266 1.626,1267 0.825,1268 1.619,1269 1.153,1270 1.069,1271 1.513,1272 1.389,1273 0.717,1274 1.429,1275 1.146,1276 1.064,1277 1.419,1278 1.376,1279 0.576,1280 1.407,1281 1.023,1282 0.972,1283 1.197,1284 1.17,1285 0.303,1286 1.187,1287 4.143,1289 5.493,1290 2.398,1291 7.015,1292 4.727,1293 8.615,1294 6.843,1295 10.257,1297 1.196,1298 6.238,1303 3.261,1305 6.101,1308 0.206,1314 31.787,1315 90.314,1316 189.141,1317 229.611,1318 240.366,1319 248.366,1320 248.366,1321 53.374,1322 7.716,1323 112.66,1324 121.04,1325 23,1326 12.576,1327 4.248,1328 3.459,1329 42.605,1330 116,1331 110,1332 0.177,1333 201.589,1334 336.64,1335 483.638,1336 24953,1337 2,1338 19.725,1339 0.704,1340 0.603,1341 20.475,1342 16.887,1343 13.371,1344 0.431,1345 0.366,1346 9.151,1347 11.839,1348 8.765,1349 7.228,1350 14.587,1351 11.351,1352 13.275,1353 0.295,1354 0.206,1355 15.066,1356 9.252,1357 9.605,1358 0.175,1359 0.105,1360 10.291,1361 5.802,1362 8.718,1363 0.115,1364 0.061,1365 9.571,1366 4.645,1367 6.901,1368 0.074,1369 0.035,1370 7.497,1371 3.209,1372 0.282,1373 96.184,1374 0.22,1375 26.921,1376 0.476,1377 152,1378 458.469,1379 214.166,1380 495.407,1381 662.1,1382 456,1383 176,1384 445.698,1385 238.469,1386 491.015,1387 709.64,1388 459,1389 7.4}
{0 CHEMBL2005375,1 1.505,2 13.568,3 5.403,4 29.189,5 143.775,6 6.756,7 0.293,8 4.402,9 4.538,10 3.889,11 3.887,12 5.386,13 3.858,14 5.01,15 5.212,16 4.271,17 4.319,18 5.937,19 4.258,20 5.321,21 5.565,22 4.402,23 4.491,24 6.239,25 4.409,26 5.375,27 5.617,28 4.422,29 4.509,30 6.366,31 4.438,32 5.389,33 5.619,34 4.439,35 4.544,36 6.458,37 4.467,38 5.385,39 5.62,40 4.329,41 4.536,42 6.356,43 4.429,44 5.394,45 5.667,46 4.143,47 4.438,48 6.282,49 4.304,50 5.234,51 5.514,52 4.063,53 4.312,54 6.074,55 4.179,56 0.038,57 1.135,58 17.559,59 6.729,60 10.311,61 9.807,62 0.414,63 1.858,64 34.048,65 11.671,66 34.289,67 17.363,68 0.55,69 2.31,70 47.6,71 14.832,72 54.809,73 22.963,74 0.607,75 2.369,76 50.925,77 14.809,78 76.738,79 22.955,80 0.991,81 2.417,82 51.914,83 15.056,84 108.083,85 23.221,86 0.563,87 2.4,88 50.797,89 16.017,90 76.218,91 24.434,92 0.788,93 2.254,94 52.576,95 14.965,96 88.211,97 23.744,98 0.662,99 1.913,100 44.465,101 14.038,102 66.445,103 21.496,104 30,105 58,106 0.234,107 0.52,108 0.704,109 0.79,110 0.83,111 0.846,112 3.642,113 1.001,114 -4.78,115 -4.7,116 -4.41,119 37.3,120 1,121 10,124 2,127 3,142 3,143 1,144 3,145 1,147 1,150 1,158 2,172 11,174 3,175 5,178 3,180 4,183 9,187 4,188 9,191 1,193 6,196 3,199 1,200 11,203 1,205 3,208 4,212 5,213 13,216 2,221 10,225 11,228 1,229 1,230 3,233 9,237 1,238 8,241 1,243 3,246 4,249 3,250 5,253 2,255 2,258 4,264 6,269 2,272 9,276 2549,277 25.378,278 25.378,279 25.378,280 25.378,281 25.378,282 23.781,283 35.279,284 14.81,285 25.926,286 20.093,287 20.093,288 20.093,289 20.093,290 20.093,291 17.39,292 56.934,293 6.844,294 20.906,295 4.724,296 2.88,297 1.694,298 1.14,299 0.884,300 0.777,301 4.346,306 1,307 1098,308 3.606,311 92.175,312 473.849,316 177,319 2.305,320 38.458,323 0.75,324 0.67,325 0.83,326 0.9,327 1,328 0.83,329 1,330 0.85,331 80,332 502,333 4.556,334 3.94,335 7.095,336 4.309,337 3.364,338 4.074,339 1.989,340 12.265,341 3.179,342 4.337,343 3.579,344 6.265,345 3.962,346 2.986,347 3.964,348 1.058,349 9.475,350 2.919,351 3.976,352 3.207,353 6.218,354 3.673,355 2.712,356 3.31,357 0.86,358 9.008,359 2.599,360 3.848,361 3.103,362 6.021,363 3.619,364 2.664,365 3.168,366 0.835,367 8.453,368 2.542,369 3.738,370 2.836,371 5.935,372 3.506,373 2.54,374 2.805,375 0.543,376 8.235,377 2.451,378 3.48,379 2.543,380 5.336,381 3.351,382 2.361,383 2.698,384 0.4,385 6.896,386 2.33,387 3.41,388 2.461,389 5.285,390 3.098,391 2.154,392 2.485,394 6.587,395 2.02,396 3.084,397 2.176,398 5.089,399 2.928,400 1.976,401 2.136,403 5.747,404 1.87,405 2.891,406 1.941,407 4.35,408 2.516,409 1.539,410 2.028,412 4.075,413 1.503,414 2.797,415 1.809,416 4.146,417 2.464,418 1.515,419 1.818,421 3.59,422 1.427,423 2.587,424 1.647,425 4.088,426 2.209,427 1.222,428 1.596,430 3.125,431 1.202,432 2.402,433 1.519,434 3.827,435 2.169,436 1.174,437 1.372,439 2.808,440 1.159,441 2.177,442 1.243,443 3.538,444 2.095,445 1.128,446 1.169,448 2.617,449 1.087,450 2,451 1.14,452 3.309,453 2,454 1,455 1,457 2.136,458 1,459 1.992,460 1,461 3.247,462 1.651,463 0.659,464 0.786,466 1.372,467 0.647,468 17.4,469 0.47,470 0.849,471 0.023,472 42,473 1.135,474 17,475 0.459,476 25,477 0.676,478 41.716,479 1.127,480 42,481 0.56,482 34.376,483 0.929,484 7.191,485 0.194,486 10.804,487 0.292,488 0.125,490 0.362,496 0.78,497 1.57,498 0.867,499 1.273,500 0.551,501 1.105,502 0.773,503 1.18,504 0.895,505 1.073,506 0.523,507 1.012,508 0.859,509 1.126,510 0.876,511 1.013,512 0.766,513 0.951,514 1.298,515 1.077,516 0.978,517 0.946,518 1.341,519 0.914,520 1.24,521 0.993,522 1.091,523 0.939,524 1.462,525 0.979,526 1.126,527 1.208,528 1.135,529 1.172,530 1.254,531 1.155,532 1.223,533 0.95,534 1.13,535 0.932,536 1.194,537 0.997,538 0.841,539 0.814,540 0.906,541 0.874,542 0.549,543 0.893,544 6.5,545 0.262,546 4.222,547 2.84,548 2.994,549 1.521,550 0.923,551 0.714,552 0.462,553 0.355,554 21526,555 45464,556 2.1,557 50.7,558 13,559 12,561 1,562 2,564 10,567 1.781,568 1.965,569 3.664,570 0.162,577 112.87,578 1.505,579 3.349,580 4.535,581 5.089,582 5.345,583 5.452,584 3.104,585 4.736,586 5.18,587 3.907,588 2602.16,589 9.117,590 42145.8,595 467.161,596 1.414,597 5.14,598 0.159,599 0.007,600 0.073,601 0.044,602 0.046,603 0.023,604 0.016,605 0.016,606 0.01,607 0.008,608 0.402,609 0.17,610 0.75,611 0.759,612 203.531,613 -0.018,614 -0.251,615 0.07,616 -0.086,617 0.01,618 -0.009,619 0.133,620 -0.009,621 0.076,622 -0.007,623 0.1,624 0.014,625 0.089,626 -0.061,627 0.109,628 -0.016,629 0.08,630 0.039,631 -0.102,632 -0.029,633 0.039,634 0.024,635 -0.053,636 0.049,637 0.037,638 0.085,639 -0.065,640 0.031,641 -0.019,642 -0.022,643 -0.091,644 -0.15,645 -0.146,646 -0.164,647 -0.104,648 -0.164,649 -0.13,650 0.037,651 -0.122,652 0.003,653 -0.145,654 -0.047,655 0.089,656 0.146,657 0.079,658 0.093,659 0.066,660 0.087,661 1.743,662 6.122,663 0.73,664 42.97,665 0.996,666 1.137,667 3.554,668 12.631,669 0.634,670 3.738,671 4.078,672 4.407,673 4.7,674 4.956,675 5.081,676 5.22,677 5.347,678 5.464,679 5.545,680 8.077,681 0.596,682 506.72,683 3.738,684 5.293,685 6.168,686 7.062,687 7.955,688 8.858,689 9.759,690 10.666,691 11.572,692 12.483,693 8,699 1,700 2,701 1,703 2,709 4,710 2,714 6,716 12,723 1,728 1,730 1,733 1,735 75,737 14,738 1,739 41,741 79,742 28,743 10,744 3,745 3,746 1,748 5,749 6,754 1,757 12,760 13,762 12,763 16,767 2,772 2,776 2,783 38,784 9,785 2,786 9,792 6,797 0.8,798 3,810 1,815 1,816 4,820 1,830 1,843 4,847 3,851 37,858 10,860 2,861 1,863 3,864 2,874 4,877 2,879 1,881 18.833,882 14.133,883 8.25,884 5.144,886 2.423,887 1.286,888 0.964,889 8.086,890 10.903,891 3.912,892 4.431,893 4.966,894 5.48,895 6.004,896 6.277,897 6.631,898 6.968,899 7.316,900 7.637,901 0.889,902 64,903 13.836,905 5.98,906 7.631,907 27.034,909 23.002,911 2.131,912 78.833,916 423.76,917 118.505,918 75.841,920 61.29,923 118.505,924 485.049,925 75.841,926 28.105,927 46.48,928 28.429,929 105.041,930 55.125,931 4.227,932 411.989,934 423.76,935 194.346,936 61.29,939 306.049,940 179.001,943 84.263,944 76.512,945 33.571,947 423.76,948 137.131,949 118.505,952 423.76,953 52.924,954 71.829,955 36.022,956 94.861,957 423.76,958 137.131,959 118.505,961 0.579,962 0.359,963 0.202,964 0.11,965 28,966 13,967 0.089,968 7,969 1,970 1.074,971 4.615,972 371.479,973 0.074,974 27,975 184.75,981 26.09,982 11.467,983 5.382,985 137.131,986 7.098,987 9.42,991 3.74,993 36.022,994 679.396,995 49,1000 25.962,1004 0.016,1007 74.73,1008 85.261,1009 0.242,1010 0.538,1011 0.728,1012 0.817,1013 0.858,1014 0.875,1015 5.187,1016 1.976,1017 6.159,1018 6.587,1019 4.762,1020 5.118,1021 2.583,1022 7.011,1023 4.685,1024 6.357,1025 1.539,1026 7.744,1027 5.747,1028 4.369,1029 4.913,1030 1.738,1031 7.995,1032 4.245,1033 7.658,1034 1.515,1035 9.431,1036 4.075,1037 6.392,1038 7.185,1039 3.263,1040 11.142,1041 6.229,1042 8.992,1043 1.222,1044 11.179,1045 3.59,1046 6.847,1047 7.807,1048 3.224,1049 12.965,1050 6.632,1051 10.361,1052 1.174,1053 12.966,1054 3.125,1055 8.318,1056 9.576,1057 4.35,1058 15.65,1059 8.063,1060 11.753,1061 1.128,1062 14.78,1063 2.808,1064 9.155,1065 10.567,1066 4.689,1067 17.838,1068 8.846,1069 13.163,1070 1,1071 16.615,1072 2.617,1073 10.424,1074 12.14,1075 5.607,1076 20.382,1077 10.071,1078 3.364,1079 0.659,1080 18.465,1081 2.136,1082 11.442,1083 13.315,1084 6.118,1085 22.739,1086 11.032,1087 2.986,1088 12.265,1089 20.329,1090 1.372,1091 12.641,1092 14.799,1093 6.929,1094 25.244,1095 12.181,1096 2.712,1097 9.475,1098 22.203,1099 4.074,1100 13.746,1101 16.071,1102 7.524,1103 27.679,1104 13.227,1105 2.664,1106 9.008,1107 24.086,1108 3.964,1109 14.926,1110 17.511,1111 8.278,1112 30.176,1113 14.354,1114 2.54,1115 8.453,1116 25.978,1117 3.31,1118 16.074,1119 18.836,1120 8.915,1121 32.648,1122 15.442,1123 2.361,1124 8.235,1125 27.878,1126 3.168,1127 17.254,1128 20.254,1129 9.639,1130 35.146,1131 16.566,1132 2.154,1133 6.896,1134 29.784,1135 2.805,1136 18.426,1137 21.608,1138 10.3,1139 37.636,1140 17.677,1141 20206,1142 29623,1143 27.452,1144 47.58,1145 61.437,1146 63.274,1147 64.046,1148 61.156,1149 61.167,1150 72.272,1151 11.368,1152 179.456,1153 58.894,1154 5.556,1155 5.94,1156 6.897,1157 5.394,1158 5.364,1159 7.074,1160 3.465,1161 20.265,1162 5.179,1163 18.38,1164 1.498,1165 1.543,1166 1.562,1167 1.492,1168 1.492,1169 1.763,1170 0.277,1171 4.377,1172 1.436,1173 4.048,1174 4.096,1175 4.001,1176 3.905,1177 7.43,1178 3.919,1179 3.939,1180 3.975,1181 3.886,1182 3.82,1183 7.426,1184 3.83,1185 3.848,1186 3.901,1187 3.721,1188 3.733,1189 5.01,1190 3.721,1191 3.784,1192 3.839,1193 3.664,1194 3.65,1195 4.81,1196 3.65,1197 3.596,1198 3.656,1199 3.506,1200 3.429,1201 4.375,1202 3.434,1203 3.406,1204 3.467,1205 3.316,1206 3.174,1207 4.34,1208 3.203,1209 3.332,1210 3.405,1211 3.178,1212 3.072,1213 4.286,1214 3.089,1215 3.22,1216 3.294,1217 3.033,1218 2.959,1219 4.13,1220 2.963,1221 0.111,1222 0.096,1223 0.173,1224 0.105,1225 0.082,1226 4.556,1227 0.099,1228 3.94,1229 0.049,1230 7.095,1231 0.299,1232 4.309,1233 0.078,1234 3.364,1235 4.074,1236 1.989,1237 12.265,1238 3.179,1239 1.928,1240 1.9,1241 2.096,1242 2.096,1243 1.476,1244 2.073,1245 1.878,1246 1.83,1247 2.006,1248 2.045,1249 1.313,1250 2.054,1251 1.843,1252 1.796,1253 1.971,1254 1.975,1255 1.211,1256 1.978,1257 1.58,1258 1.52,1259 1.86,1260 1.774,1261 1.112,1262 1.793,1263 1.577,1264 1.507,1265 1.798,1266 1.751,1267 1.096,1268 1.779,1269 1.516,1270 1.451,1271 1.758,1272 1.701,1273 0.876,1274 1.731,1275 1.324,1276 1.265,1277 1.578,1278 1.602,1279 0.825,1280 1.594,1281 1.261,1282 1.185,1283 1.563,1284 1.557,1285 0.816,1286 1.557,1287 4.419,1289 5.753,1290 2.398,1291 7.292,1292 4.443,1293 8.931,1294 6.293,1295 10.627,1297 5.443,1303 10.856,1305 6.443,1306 5.618,1308 0.328,1309 3.909,1314 44.702,1315 112.87,1316 251.187,1317 340.094,1318 381.677,1319 400.897,1320 408.897,1321 77.556,1322 8.48,1323 99.69,1324 99.69,1325 29,1326 12.999,1327 3.907,1328 3.17,1329 56.841,1330 181,1331 199,1332 0.153,1333 271.724,1334 480.61,1335 654.767,1336 62863,1338 25.941,1339 0.701,1340 0.598,1341 25.941,1342 22.126,1343 17.995,1344 0.439,1345 0.334,1346 13.496,1347 17.278,1348 13.176,1349 10.956,1350 17.995,1351 13.686,1352 15.873,1353 0.274,1354 0.18,1355 15.873,1356 10.418,1357 14.224,1358 0.176,1359 0.1,1360 14.224,1361 8.063,1362 12.022,1363 0.11,1364 0.055,1365 12.022,1366 6.015,1367 9.678,1368 0.069,1369 0.028,1370 9.678,1371 4.014,1372 0.242,1373 113.039,1374 0.191,1375 33.68,1376 0.413,1377 198,1378 528.453,1379 218.907,1380 504.215,1381 698.32,1382 474,1383 238,1384 525.015,1385 260.685,1386 527.539,1387 782.28,1388 497,1389 5.1}
{0 CHEMBL2005475,1 1.543,2 10.75,3 4.693,4 22.027,5 99.096,6 7.544,7 0.556,8 3.903,9 4.024,10 3.541,11 3.537,12 4.906,13 3.469,14 4.463,15 4.63,16 3.929,17 3.968,18 5.411,19 3.862,20 4.747,21 4.985,22 3.924,23 4.023,24 5.604,25 3.88,26 4.731,27 4.997,28 3.716,29 3.893,30 5.606,31 3.747,32 4.567,33 4.822,34 3.733,35 3.802,36 5.537,37 3.666,38 4.408,39 4.615,40 3.693,41 3.733,42 5.466,43 3.591,44 4.257,45 4.431,46 3.53,47 3.628,48 5.334,49 3.475,50 4.189,51 4.381,52 3.31,53 3.499,54 5.209,55 3.358,56 0.062,57 0.67,58 9.927,59 4.461,60 6.534,61 5.771,62 0.141,63 1.129,64 19.484,65 7.977,66 15.901,67 10.551,68 0.196,69 1.393,70 29.943,71 10.835,72 24.974,73 14.569,74 0.257,75 1.337,76 29.704,77 10.121,78 33.994,79 13.436,80 0.278,81 1.163,82 25.908,83 8.862,84 33.304,85 11.455,86 0.277,87 1.002,88 23.256,89 8.056,90 32.671,91 9.495,92 0.193,93 0.877,94 22.2,95 7.457,96 30.725,97 8.126,98 0.169,99 0.81,100 19.19,101 6.437,102 26.477,103 7.514,104 2,105 37,106 0.265,107 0.59,108 0.698,109 0.79,110 0.821,111 0.821,112 3.228,113 1.049,114 -4.6,115 -4.52,116 -4.26,119 42.2,121 5,122 1,125 1,142 6,143 2,152 2,158 1,161 1,168 1,172 13,175 2,178 1,180 3,183 15,188 4,193 8,196 9,200 4,205 5,208 5,212 1,213 4,216 1,218 2,221 7,225 4,228 1,229 1,230 1,233 8,238 4,243 2,246 7,250 4,255 3,258 5,264 3,269 3,272 5,276 806,277 16.706,278 16.706,279 16.706,280 16.706,281 16.706,282 14.927,283 5.939,284 10.087,285 16.971,286 13.37,287 13.37,288 13.37,289 13.37,290 13.37,291 10.617,292 5.692,293 4.844,294 13.813,295 3.949,296 2.061,297 1.428,298 0.895,299 0.711,300 0.711,301 3.93,305 1,306 1,307 572,308 2.828,311 107.846,312 155.801,314 88.409,319 1.771,320 16.273,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 50.5,332 258,333 4.653,334 3.574,335 6.746,336 4.169,337 3.214,338 4.611,339 1.058,340 11.054,341 3.078,342 4.084,343 3.145,344 6.058,345 3.71,346 2.741,347 3.615,349 8.726,350 2.645,351 3.779,352 2.535,353 5.636,354 3.502,355 2.514,356 3.211,358 7.328,359 2.482,360 3.501,361 2.494,362 5.334,363 3.312,364 2.33,365 2.533,367 6.917,368 2.278,369 3.185,370 1.839,371 4.629,372 2.673,373 1.722,374 2.464,376 4.599,377 1.628,378 2.895,379 1.605,380 4.193,381 2.523,382 1.545,383 2.04,385 3.824,386 1.509,387 2.703,388 1.577,389 3.978,390 2.347,391 1.37,392 1.776,394 3.227,395 1.327,396 2.513,397 1.266,398 3.599,399 2.154,400 1.213,401 1.513,403 2.942,404 1.119,405 2.5,406 1.061,407 3.491,408 2,409 1,410 1.5,412 2.465,413 1,414 2.397,415 1.001,416 3.247,417 2,418 1,419 1.329,421 2.136,422 1,423 2,424 1,425 3.247,426 1.913,427 0.962,428 1,430 2.136,431 0.906,432 1.674,433 1,434 3.057,435 1.395,436 0.4,437 0.464,439 0.913,440 0.391,441 1.634,442 0.202,443 2.923,444 1.118,445 0.202,446 0.294,448 0.548,449 0.181,450 0.728,451 -0.172,452 2.281,453 0.406,454 -0.6,455 -0.634,457 -1.327,458 -0.598,459 0.549,460 -0.704,461 2.24,462 0.266,463 -0.71,464 -0.988,466 -1.647,467 -0.69,468 11.867,469 0.494,470 0.448,471 0.019,472 28.25,473 1.177,474 13.5,475 0.563,476 14.75,477 0.615,478 21.446,479 0.894,480 25.333,481 0.563,482 16.972,483 0.707,484 4.909,485 0.205,486 6.901,487 0.288,488 0.028,490 0.295,496 0.676,497 0.987,498 0.768,499 0.866,500 0.521,501 0.886,502 0.611,503 1.141,504 0.855,505 1.016,506 0.516,507 1.026,508 0.668,509 1.169,510 0.819,511 1.069,512 0.686,513 1.002,514 1.216,515 0.966,516 0.895,517 0.86,518 1.151,519 0.868,520 1.048,521 0.841,522 0.904,523 0.83,524 1.028,525 0.783,526 1.571,527 0.902,528 1.292,529 1.06,530 1.956,531 0.953,532 2.019,533 1.166,534 1.861,535 1.468,536 2.346,537 1.172,538 1.804,539 1.231,540 1.665,541 1.402,542 1.926,543 1.209,544 3.5,545 0.054,546 2.444,547 1.167,548 0.962,549 0.706,550 0.39,551 0.234,552 0.137,553 0.106,554 7169,555 15420,556 2.187,557 46.7,558 10,559 8,562 2,564 1,567 1.665,568 2.118,569 3.413,570 0.255,577 69.429,578 1.543,579 3.431,580 4.064,581 4.597,582 4.781,583 4.781,584 2.907,585 4.054,586 4.554,587 3.547,588 978.895,589 7.842,590 11629.6,592 1,595 247.133,596 1.099,597 4.546,598 0.13,599 0.004,600 0.066,601 0.034,602 0.033,603 0.024,604 0.015,605 0.011,606 0.007,607 0.007,608 0.331,609 0.17,610 1,611 0.382,612 115.093,613 0.05,614 0.138,615 0.07,616 0.1,617 0.031,618 0.071,619 0.12,620 -0.082,621 0.056,622 -0.026,623 0.09,624 -0.051,625 0.144,626 -0.217,627 0.143,628 -0.085,629 0.103,630 -0.006,631 -0.066,632 -0.005,633 0.064,634 0.067,635 -0.026,636 0.09,637 0.127,638 0.158,639 0.153,640 0.159,641 0.111,642 0.183,643 -0.015,644 0.138,645 -0.036,646 0.064,647 -0.103,648 0.016,649 -0.337,650 -0.079,651 -0.35,652 -0.176,653 -0.241,654 -0.182,655 -0.308,656 -0.173,657 -0.393,658 -0.262,659 -0.19,660 -0.243,661 1.636,662 5.464,663 0.833,664 22.382,665 0.992,666 1.119,667 3.371,668 11.363,669 0.688,670 3.332,671 3.638,672 3.932,673 4.205,674 4.394,675 4.477,676 4.605,677 4.654,678 4.745,679 4.762,680 6.27,681 0.638,682 339.5,683 3.332,684 4.86,685 5.714,686 6.586,687 7.461,688 8.345,689 9.23,690 10.121,691 11.014,692 11.91,693 6.7,700 1,701 1,703 1,708 2,709 6,710 1,711 1,713 1,714 3,716 15,723 1,735 45,737 16,738 1,739 27,741 48,742 19,743 11,744 1,745 5,746 1,748 4,749 5,757 5,758 1,760 5,762 12,763 7,764 1,767 1,772 1,776 1,780 1,783 21,784 3,785 2,786 5,787 1,792 3,797 0.75,798 1,807 1,815 2,816 2,818 1,843 3,845 1,851 24,858 6,860 1,863 1,869 1,874 2.2,877 1,881 11.333,882 7.867,883 5.278,884 3.003,886 2.9,887 1.395,888 1.022,889 4.656,890 10.238,891 3.597,892 4.182,893 4.812,894 5.445,895 5.938,896 6.361,897 6.812,898 7.086,899 7.437,900 7.681,901 1,902 34,903 8.921,905 3.849,906 7.549,907 17.614,909 15.124,911 2.049,912 49.167,915 1,916 223.651,917 117.809,918 51.337,920 25.145,922 31.278,923 86.531,924 248.796,925 51.337,927 32.789,928 56.857,929 46.83,930 22.422,931 4.115,932 254.929,934 223.651,935 137.868,936 25.145,937 31.278,939 211.88,940 36.916,943 49.769,944 71.436,945 16.663,946 31.278,947 223.651,948 76.482,949 117.809,952 223.651,953 60.951,954 56.857,955 34.674,956 41.808,957 223.651,958 76.482,959 117.809,961 0.574,962 0.336,963 0.184,964 0.099,965 19,966 7,967 0.083,968 4,969 1,970 1.1,971 3.797,972 195.315,973 0.1,974 20,975 102.039,977 1,981 15.829,982 7.059,983 3.418,984 1.908,985 59.819,986 12.066,987 4.362,988 3.089,990 1.453,991 2.814,993 34.674,994 417.941,995 35.5,1000 12.464,1004 0.03,1007 44.662,1008 50.361,1009 0.281,1010 0.625,1011 0.74,1012 0.837,1013 0.871,1014 0.871,1015 4.818,1016 1.213,1017 5.673,1018 3.227,1019 4.317,1020 4.868,1021 1.176,1022 6.469,1023 4.252,1024 6,1025 1,1026 7.215,1027 2.942,1028 3.761,1029 4.605,1031 7.334,1032 3.66,1033 7.296,1034 1,1035 8.861,1036 2.465,1037 5.883,1038 7.081,1039 1.255,1040 10.467,1041 5.751,1042 8.634,1043 0.962,1044 10.573,1045 2.136,1046 6.236,1047 7.791,1049 12.238,1050 6.052,1051 10.015,1052 0.4,1053 12.329,1054 2.136,1055 7.764,1056 9.679,1057 1.338,1058 14.864,1059 7.556,1060 11.425,1061 0.202,1062 14.115,1063 0.913,1064 8.536,1065 10.832,1067 16.994,1068 8.269,1069 12.859,1070 -0.6,1071 15.924,1072 0.548,1073 9.827,1074 12.495,1075 1.422,1076 19.461,1077 9.532,1078 3.214,1079 -0.71,1080 17.749,1081 -1.327,1082 10.798,1083 13.853,1085 21.742,1086 10.444,1087 2.741,1088 11.054,1089 19.586,1090 -1.647,1091 11.994,1092 15.428,1093 1.51,1094 24.159,1095 11.607,1096 2.514,1097 8.726,1098 21.434,1099 4.611,1100 13.061,1101 16.877,1103 26.506,1104 12.618,1105 2.33,1106 7.328,1107 23.291,1108 3.615,1109 14.224,1110 18.419,1111 1.599,1112 28.908,1113 13.742,1114 1.722,1115 6.917,1116 25.154,1117 3.211,1118 15.337,1119 19.911,1121 31.283,1122 14.802,1123 1.545,1124 4.599,1125 27.023,1126 2.533,1127 16.491,1128 21.442,1129 1.69,1130 33.682,1131 15.914,1132 1.37,1133 3.824,1134 28.897,1135 2.464,1136 17.627,1137 22.952,1139 36.071,1140 17,1141 6679,1142 10012,1143 18.781,1144 30.972,1145 40.85,1146 41.52,1147 41.015,1148 40.404,1149 40.427,1150 52.699,1151 2.117,1152 113.628,1153 39.085,1154 5.653,1155 5.574,1156 6.548,1157 5.323,1158 5.214,1159 7.611,1160 2.117,1161 18.236,1162 5.078,1163 5.886,1164 1.513,1165 1.538,1166 1.519,1167 1.496,1168 1.497,1169 1.952,1170 0.078,1171 4.208,1172 1.448,1173 4.13,1174 4.155,1175 4.357,1176 4.094,1177 7.429,1178 4.061,1179 3.887,1180 3.946,1181 3.823,1182 3.788,1183 5.069,1184 3.768,1185 3.819,1186 3.845,1187 3.747,1188 3.774,1189 4.699,1190 3.752,1191 3.51,1192 3.571,1193 3.453,1194 3.281,1195 4.319,1196 3.306,1197 3.238,1198 3.302,1199 3.228,1200 3.092,1201 4.156,1202 3.072,1203 3.111,1204 3.206,1205 2.941,1206 2.941,1207 3.922,1208 2.91,1209 2.946,1210 3.019,1211 2.866,1212 2.778,1213 3.674,1214 2.766,1215 2.854,1216 2.925,1217 2.688,1218 2.735,1219 3.662,1220 2.715,1221 0.172,1222 0.132,1223 0.25,1224 0.154,1225 0.119,1226 4.653,1227 0.171,1228 3.574,1229 0.039,1230 6.746,1231 0.409,1232 4.169,1233 0.114,1234 3.214,1235 4.611,1236 1.058,1237 11.054,1238 3.078,1239 1.924,1240 1.899,1241 2.114,1242 2.039,1243 1.511,1244 2.067,1245 1.893,1246 1.839,1247 2.031,1248 2.002,1249 1.129,1250 2.012,1251 1.601,1252 1.581,1253 1.713,1254 1.756,1255 0.979,1256 1.748,1257 1.469,1258 1.467,1259 1.622,1260 1.613,1261 0.825,1262 1.607,1263 1.32,1264 1.259,1265 1.513,1266 1.549,1267 0.813,1268 1.528,1269 1.18,1270 1.106,1271 1.346,1272 1.379,1273 0.624,1274 1.429,1275 1.153,1276 1.064,1277 1.306,1278 1.376,1279 0.435,1280 1.405,1281 0.886,1282 0.821,1283 1.181,1284 1.083,1285 0.292,1286 1.139,1287 4.007,1289 5.313,1290 3.045,1291 6.81,1292 5.416,1293 8.392,1294 7.526,1295 10.022,1303 7.223,1305 3.112,1308 0.646,1314 28.707,1315 69.429,1316 154.398,1317 182.895,1318 206.869,1319 215.133,1320 215.133,1321 34.616,1322 7.338,1323 57.78,1324 86.02,1325 22,1326 12.436,1327 4.087,1328 3.248,1329 34.015,1330 90,1331 88,1332 0.185,1333 178.47,1334 296.94,1335 427.226,1336 15495,1338 16.355,1339 0.681,1340 0.599,1341 16.709,1342 14.364,1343 11.81,1344 0.437,1345 0.35,1346 8.633,1347 11.114,1348 8.404,1349 6.969,1350 12.218,1351 9.442,1352 10.353,1353 0.28,1354 0.204,1355 10.996,1356 7.539,1357 9.022,1358 0.18,1359 0.117,1360 9.862,1361 5.841,1362 7.501,1363 0.114,1364 0.066,1365 8.356,1366 4.375,1367 5.954,1368 0.074,1369 0.038,1370 6.753,1371 3.043,1372 0.293,1373 76.88,1374 0.231,1375 23.708,1376 0.501,1377 128,1378 314.907,1379 161.556,1380 331.955,1381 462.29,1382 312,1383 151,1384 331.521,1385 183.567,1386 352.968,1387 520.57,1388 334,1389 5.5}
{0 CHEMBL2005482,1 1.688,2 16.409,3 6.905,4 47.676,5 174.046,6 8.642,7 0.66,8 4.402,9 4.509,10 4.133,11 4.012,12 5.52,13 3.989,14 4.921,15 5.065,16 4.519,17 4.402,18 6.026,19 4.363,20 5.15,21 5.339,22 4.536,23 4.519,24 6.196,25 4.45,26 5.162,27 5.366,28 4.509,29 4.515,30 6.204,31 4.436,32 5.204,33 5.404,34 4.637,35 4.552,36 6.326,37 4.488,38 5.214,39 5.407,40 4.622,41 4.573,42 6.306,43 4.49,44 5.166,45 5.364,46 4.615,47 4.524,48 6.237,49 4.438,50 5.127,51 5.33,52 4.611,53 4.491,54 6.205,55 4.406,56 0.058,57 1.09,58 11.646,59 6.045,60 8.741,61 7.104,62 0.383,63 1.821,64 24.948,65 10.32,66 29.367,67 12.171,68 0.567,69 2.156,70 36.534,71 13.556,72 49.538,73 16.333,74 0.372,75 2.176,76 38.015,77 14.459,78 43.472,79 18.504,80 0.574,81 2.31,82 39.038,83 14.51,84 66.877,85 17.817,86 0.613,87 2.333,88 43.524,89 15.527,90 60.5,91 18.259,92 0.547,93 2.213,94 40.633,95 14.483,96 54.259,97 17.941,98 0.567,99 2.081,100 44.875,101 13.968,102 51.448,103 16.573,104 5,105 70,106 0.257,107 0.59,108 0.76,109 0.858,110 0.875,111 0.875,112 3.81,113 0.929,114 -4.95,115 -4.85,116 -4.55,119 45.8,121 1,125 4,142 13,143 2,144 4,145 1,146 2,150 1,151 2,152 1,158 1,162 1,172 12,174 2,175 8,178 3,180 4,183 14,187 2,188 6,193 5,196 9,199 1,200 13,203 1,205 5,208 5,212 1,213 13,216 2,218 2,221 9,224 3,225 8,228 2,230 2,233 10,237 1,238 8,241 2,243 5,246 10,249 1,250 8,255 1,258 14,263 4,264 8,267 1,268 1,272 14,276 4734,277 30.532,278 30.532,279 30.532,280 30.532,281 30.532,282 26.525,283 30.291,284 18.252,285 31.49,286 24.801,287 24.801,288 24.801,289 24.801,290 24.801,291 18.776,292 47.421,293 8.779,294 26.427,295 4.482,296 2.289,297 1.168,298 0.528,299 0.417,300 0.417,301 4.534,302 1,306 1,307 1616,308 3.536,311 211.542,312 681.508,314 172.097,319 2.746,320 35.027,323 0.75,324 0.5,325 0.83,326 0.5,328 0.83,329 1,330 0.63,331 93.833,332 722,333 4.739,334 3.638,335 7.022,336 4.27,337 3.329,338 4.681,339 1.987,340 12.065,341 3.146,342 4.263,343 3.335,344 6.171,345 3.856,346 2.907,347 3.922,348 0.86,349 9.19,350 2.76,351 4.195,352 3.143,353 6.165,354 3.833,355 2.889,356 3.777,357 0.8,358 9.107,359 2.727,360 4.036,361 3.118,362 5.9,363 3.606,364 2.666,365 3.639,366 0.4,367 8.174,368 2.586,369 3.956,370 2.819,371 5.779,372 3.57,373 2.6,374 3.475,375 0.324,376 7.991,377 2.425,378 3.786,379 2.608,380 5.493,381 3.35,382 2.428,383 3.222,385 7.333,386 2.246,387 3.625,388 2.512,389 5.465,390 3.303,391 2.347,392 2.891,394 7.203,395 2.215,396 3.48,397 2.473,398 5.051,399 3.055,400 2.073,401 2.723,403 5.998,404 1.999,405 3.378,406 2.279,407 4.811,408 2.958,409 2.024,410 2.655,412 5.432,413 1.872,414 2.968,415 2.048,416 4.549,417 2.655,418 1.733,419 2.116,421 4.396,422 1.593,423 2.908,424 1.833,425 4.451,426 2.448,427 1.472,428 2.099,430 4.149,431 1.43,432 2.88,433 1.561,434 4.356,435 2.356,436 1.426,437 2.033,439 4.006,440 1.328,441 2.856,442 1.55,443 4.119,444 2.326,445 1.414,446 1.971,448 3.656,449 1.285,450 2.785,451 1.44,452 3.567,453 2.307,454 1.319,455 1.883,457 2.966,458 1.251,459 2.656,460 1.4,461 3.549,462 2.21,463 1.258,464 1.715,466 2.811,467 1.192,468 21.514,469 0.489,470 0.914,471 0.021,472 63,473 1.432,474 33,475 0.75,476 30,477 0.682,478 38.899,479 0.884,480 44.486,481 0.618,482 53.028,483 1.205,484 12.319,485 0.28,486 9.284,487 0.211,488 0.049,490 0.316,496 0.808,497 1.272,498 0.629,499 0.9,500 0.618,501 0.829,502 0.964,503 1.131,504 0.801,505 0.955,506 0.678,507 0.909,508 1.157,509 1.01,510 0.924,511 0.873,512 1.1,513 0.935,514 0.841,515 1.109,516 0.875,517 0.965,518 0.827,519 0.986,520 0.988,521 0.981,522 0.749,523 0.835,524 1.161,525 0.846,526 1.098,527 0.985,528 1.072,529 0.995,530 1.163,531 0.958,532 0.874,533 1.136,534 0.937,535 1.016,536 0.896,537 0.964,538 1.141,539 0.969,540 1.058,541 0.86,542 0.984,543 0.86,544 7.5,545 0.354,546 3.778,547 2.882,548 2.215,549 1.185,550 1.125,551 0.682,552 0.591,553 0.348,554 37670,555 101577,556 2.205,557 38.9,559 21,560 2,561 1,562 2,563 2,567 1.824,568 2.129,569 3.967,570 0.126,577 121.512,578 1.688,579 3.881,580 5.002,581 5.642,582 5.753,583 5.753,584 3.476,585 5.141,586 5.426,587 4.149,588 3924.52,589 9.624,590 73169.9,595 444.235,596 1.143,597 5.418,598 0.15,599 0.006,600 0.054,601 0.041,602 0.032,603 0.016,604 0.015,605 0.01,606 0.009,607 0.005,608 0.339,609 0.17,610 0.75,611 0.327,612 256.17,613 -0.054,614 -0.179,615 0.046,616 -0.025,617 -0.049,618 0.009,619 0.031,620 -0.046,621 -0.002,622 -0.043,623 0.025,624 -0.042,625 -0.113,626 0.018,627 -0.051,628 0.037,629 -0.101,630 -0.009,631 -0.005,632 -0.116,633 0.011,634 -0.054,635 0.057,636 -0.018,637 0.024,638 0.049,639 0.122,640 0.094,641 0.078,642 0.099,643 -0.042,644 0.059,645 -0.044,646 0.007,647 -0.057,648 -0.006,649 0.075,650 -0.11,651 0.081,652 -0.021,653 0.024,654 0.005,655 -0.086,656 0.071,657 0.08,658 0.126,659 -0.041,660 0.1,661 1.814,662 5.848,663 0.864,664 63.99,665 1.007,666 1.116,667 3.716,668 13.806,669 0.72,670 3.932,671 4.263,672 4.564,673 4.883,674 5.13,675 5.242,676 5.447,677 5.613,678 5.765,679 5.886,680 9.338,681 0.686,682 622.2,683 3.932,684 5.485,685 6.347,686 7.235,687 8.115,688 9.011,689 9.901,690 10.802,691 11.699,692 12.605,693 9.7,699 1,700 1,701 2,703 3,708 1,709 16,710 3,713 1,714 10,716 33,728 1,730 1,734 1,735 72,737 34,738 3,739 50,741 78,742 33,743 27,744 6,745 12,748 7,749 8,750 1,760 1,762 28,763 5,767 1,772 1,776 1,783 28,784 8,785 2,786 11,787 2,789 1,792 7,797 0.857,798 2,810 1,815 2,816 5,818 1,829 1,842 1,843 6,845 1,848 1,851 44,858 5,860 2,861 1,864 1,868 1,873 1,874 2.8,877 1,878 1,881 20.667,882 12.976,883 9.528,884 4.241,886 6.4,887 1.669,888 1.045,889 8.466,890 15.969,891 4.227,892 4.852,893 5.465,894 6.113,895 6.666,896 7.033,897 7.546,898 7.996,899 8.458,900 8.861,901 1,902 70,903 16.251,905 7.02,906 7.635,907 31.247,909 26.067,911 2.135,912 93.944,916 306.049,917 229.16,918 90.789,919 39.149,920 36.145,922 31.278,923 197.882,924 381.342,925 90.789,927 33.941,928 139.888,929 102.977,930 55.124,931 28.198,932 302.013,933 39.149,934 306.049,935 288.671,936 36.145,937 70.426,939 306.049,940 25.145,941 11,943 69.699,944 168.615,945 89.505,946 31.278,947 306.049,948 126.934,949 268.308,952 306.049,953 80.224,954 153.346,955 36.022,956 125.65,957 306.049,958 126.934,959 268.308,961 0.578,962 0.338,963 0.193,964 0.107,965 35,966 14,967 0.103,968 8,969 1,970 1.053,971 5.366,972 475.759,973 0.053,974 38,975 230.215,977 1,981 28.777,982 12.944,983 6.462,984 0.825,985 125.647,986 30.96,987 14.341,990 1.536,991 7.458,993 36.022,994 701.291,995 67.5,1000 12.848,1004 -0.148,1007 72.487,1008 80.338,1009 0.274,1010 0.629,1011 0.811,1012 0.914,1013 0.932,1014 0.932,1015 5.461,1016 2.073,1017 6.319,1018 7.203,1019 4.949,1020 5.541,1021 2.373,1022 7.132,1023 4.832,1024 6.665,1025 2.024,1026 7.868,1027 5.998,1028 4.443,1029 5.27,1030 1.668,1031 8.005,1032 4.26,1033 7.968,1034 1.733,1035 9.518,1036 5.432,1037 6.535,1038 7.755,1039 3.17,1040 11.151,1041 6.315,1042 9.309,1043 1.472,1044 11.231,1045 4.396,1046 6.889,1047 8.36,1048 3.181,1049 12.922,1050 6.595,1051 10.684,1052 1.426,1053 12.986,1054 4.149,1055 8.412,1056 10.281,1057 4.326,1058 15.581,1059 8.088,1060 12.084,1061 1.414,1062 14.771,1063 4.006,1064 9.177,1065 11.324,1066 4.656,1067 17.747,1068 8.779,1069 13.504,1070 1.319,1071 16.58,1072 3.656,1073 10.469,1074 13.005,1075 5.604,1076 20.26,1077 10.035,1078 3.329,1079 1.258,1080 18.407,1081 2.966,1082 11.438,1083 14.28,1084 6.091,1085 22.604,1086 10.934,1087 2.907,1088 12.065,1089 20.249,1090 2.811,1091 12.639,1092 15.859,1093 6.928,1094 25.081,1095 12.092,1096 2.889,1097 9.19,1098 22.104,1099 4.681,1100 13.71,1101 17.258,1102 7.501,1103 27.505,1104 13.098,1105 2.666,1106 9.107,1107 23.971,1108 3.922,1109 14.88,1110 18.797,1111 8.273,1112 29.979,1113 14.22,1114 2.6,1115 8.174,1116 25.847,1117 3.777,1118 16.003,1119 20.261,1120 8.894,1121 32.437,1122 15.28,1123 2.428,1124 7.991,1125 27.732,1126 3.639,1127 17.169,1128 21.789,1129 9.631,1130 34.916,1131 16.394,1132 2.347,1133 7.333,1134 29.625,1135 3.475,1136 18.319,1137 23.287,1138 10.279,1139 37.39,1140 17.484,1141 34152,1142 56358,1143 34.789,1144 51.83,1145 75.46,1146 76.529,1147 75.996,1148 74.804,1149 74.837,1150 100.269,1151 8.742,1152 214.326,1153 70.269,1154 5.739,1155 5.638,1156 6.824,1157 5.415,1158 5.329,1159 7.681,1160 3.497,1161 19.443,1162 5.146,1163 13.054,1164 1.509,1165 1.531,1166 1.52,1167 1.496,1168 1.497,1169 2.005,1170 0.175,1171 4.287,1172 1.405,1173 4.161,1174 4.196,1175 4.36,1176 4.07,1177 7.429,1178 4.058,1179 3.963,1180 4.004,1181 4.02,1182 3.874,1183 5.107,1184 3.869,1185 3.931,1186 3.962,1187 3.913,1188 3.85,1189 4.944,1190 3.851,1191 3.854,1192 3.88,1193 3.838,1194 3.805,1195 4.88,1196 3.788,1197 3.761,1198 3.815,1199 3.767,1200 3.613,1201 4.753,1202 3.617,1203 3.659,1204 3.704,1205 3.555,1206 3.475,1207 4.734,1208 3.484,1209 3.463,1210 3.497,1211 3.445,1212 3.276,1213 4.58,1214 3.294,1215 3.181,1216 3.216,1217 3.405,1218 3.121,1219 4.33,1220 3.096,1221 0.095,1222 0.073,1223 0.14,1224 0.085,1225 0.067,1226 4.739,1227 0.094,1228 3.638,1229 0.04,1230 7.022,1231 0.241,1232 4.27,1233 0.063,1234 3.329,1235 4.681,1236 1.987,1237 12.065,1238 3.146,1239 1.942,1240 1.917,1241 2.047,1242 2.066,1243 1.237,1244 2.057,1245 1.92,1246 1.888,1247 2.033,1248 2.028,1249 1.171,1250 2.032,1251 1.899,1252 1.873,1253 1.979,1254 1.989,1255 1.124,1256 1.992,1257 1.771,1258 1.731,1259 1.868,1260 1.932,1261 1.023,1262 1.921,1263 1.628,1264 1.574,1265 1.824,1266 1.833,1267 0.916,1268 1.834,1269 1.472,1270 1.421,1271 1.592,1272 1.696,1273 0.825,1274 1.665,1275 1.403,1276 1.372,1277 1.576,1278 1.62,1279 0.709,1280 1.603,1281 1.349,1282 1.339,1283 1.513,1284 1.42,1285 0.637,1286 1.455,1287 4.615,1289 5.943,1290 3.045,1291 7.461,1292 5.416,1293 9.067,1294 7.535,1295 10.72,1298 6.527,1303 3.419,1305 6.344,1306 5.504,1309 2.308,1314 49.389,1315 121.512,1316 279.4,1317 360.129,1318 406.235,1319 414.235,1320 414.235,1321 66.016,1322 9.569,1323 96.68,1324 124.92,1325 40,1326 13.125,1327 5.129,1328 4.209,1329 60.146,1330 238,1331 272,1332 0.117,1333 303.742,1334 513.6,1335 732.89,1336 272289,1337 1.4,1338 29.882,1339 0.679,1340 0.572,1341 30.735,1342 25.184,1343 21.602,1344 0.432,1345 0.31,1346 14.153,1347 20.132,1348 13.791,1349 11.33,1350 22.345,1351 15.488,1352 19.442,1353 0.278,1354 0.166,1355 20.396,1356 11.59,1357 16.63,1358 0.175,1359 0.089,1360 17.634,1361 8.446,1362 14.617,1363 0.112,1364 0.047,1365 15.544,1366 6.136,1367 12.079,1368 0.072,1369 0.025,1370 13.004,1371 4.196,1372 0.186,1373 142.108,1374 0.17,1375 38.959,1376 0.313,1377 240,1378 677.426,1379 299.327,1380 711.457,1381 982.01,1382 670,1383 285,1384 700.831,1385 336.824,1386 733.762,1387 1081.75,1388 693,1389 7}
{0 CHEMBL2005509,1 1.674,2 12.321,3 2.753,4 7.578,5 109.731,6 7.999,7 0.516,8 4.028,9 4.165,10 3.651,11 3.534,12 5.116,13 3.525,14 4.575,15 4.761,16 4.041,17 3.947,18 5.677,19 3.904,20 4.856,21 5.096,22 4.035,23 4.071,24 5.803,25 3.991,26 4.87,27 5.12,28 4.031,29 4.024,30 5.861,31 3.942,32 4.809,33 5.059,34 3.972,35 3.971,36 5.813,37 3.886,38 4.726,39 4.954,40 4.007,41 3.942,42 5.767,43 3.852,44 4.679,45 4.92,46 3.853,47 3.889,48 5.678,49 3.748,50 4.546,51 4.796,52 3.614,53 3.734,54 5.45,55 3.6,56 0.075,57 0.81,58 9.663,59 3.876,60 7.922,61 5.384,62 0.391,63 1.265,64 19.637,65 7.029,66 33.557,67 9.976,68 0.39,69 1.472,70 30.184,71 9.179,72 44.167,73 13.484,74 0.547,75 1.423,76 31.786,77 8.847,78 55.247,79 13.17,80 0.503,81 1.324,82 30.655,83 8.546,84 55.397,85 12.402,86 0.502,87 1.209,88 29.741,89 7.966,90 52.415,91 11.231,92 0.541,93 1.083,94 32.842,95 9.046,96 50.47,97 12.536,98 0.323,99 0.962,100 27.708,101 7.691,102 36.129,103 10.933,104 13,105 43,106 0.281,107 0.639,108 0.779,109 0.818,110 0.838,111 0.865,112 3.374,113 0.94,114 -3.58,115 -3.55,116 -3.38,119 38,121 4,124 1,127 2,142 3,143 2,145 1,146 1,147 1,150 1,151 1,159 1,161 1,172 5,174 1,175 6,178 5,179 1,180 6,183 6,188 3,193 5,196 4,200 9,203 1,205 7,208 2,212 1,213 9,217 1,218 3,221 2,225 1,228 1,229 1,230 2,233 7,237 1,238 2,241 4,242 1,243 1,246 9,255 2,258 4,263 2,264 2,267 2,269 5,272 4,276 1280,277 19.127,278 19.127,279 19.127,280 19.127,281 19.127,282 17.129,283 19.649,284 11.316,285 19.699,286 15.286,287 15.286,288 15.286,289 15.286,290 15.286,291 12.191,292 30.237,293 5.368,294 16.213,295 3.969,296 1.84,297 1.005,298 0.775,299 0.655,300 0.495,301 4.073,303 1,305 1,306 1,307 752,308 3.162,311 60.74,312 261.45,315 114.911,319 1.916,320 26.084,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 60.833,332 345,333 4.6,334 3.54,335 6.714,336 4.141,337 3.167,338 4.535,339 1.656,340 10.928,341 3.088,342 4.152,343 3.205,344 5.872,345 3.726,346 2.787,347 3.816,348 0.4,349 8.381,350 2.642,351 3.782,352 2.976,353 5.596,354 3.597,355 2.65,356 2.962,357 0.247,358 7.631,359 2.478,360 3.615,361 2.755,362 5.426,363 3.347,364 2.386,365 2.896,367 7.114,368 2.285,369 3.476,370 2.448,371 5.141,372 3.087,373 2.147,374 2.655,376 6.278,377 2.017,378 3.261,379 2.31,380 4.772,381 2.921,382 1.998,383 2.402,385 5.322,386 1.827,387 3.046,388 1.978,389 4.646,390 2.674,391 1.767,392 2.319,394 4.963,395 1.528,396 2.968,397 1.547,398 4.501,399 2.513,400 1.547,401 2.124,403 4.23,404 1.488,405 2.893,406 1.457,407 4.004,408 2.374,409 1.434,410 1.954,412 3.443,413 1.322,414 2.524,415 1.101,416 3.564,417 2,418 1.028,419 1.535,421 2.559,422 1,423 2,424 1.037,425 3.414,426 1.989,427 1,428 1,430 2.275,431 0.982,432 1.973,433 1,434 3.094,435 1.429,436 0.49,437 0.721,439 1.18,440 0.459,441 1.515,442 0.636,443 3.046,444 1.374,445 0.45,446 0.463,448 0.842,449 0.414,450 1.356,451 0.492,452 2.764,453 1.108,454 0.145,455 0.162,457 0.274,458 0.138,459 1,460 0.216,461 2.554,462 0.665,463 -0.303,464 -0.361,466 -0.792,467 -0.241,468 13.348,469 0.477,470 0.639,471 0.023,472 35.5,473 1.268,474 16,475 0.571,476 19.5,477 0.696,478 24.26,479 0.866,480 30.452,481 0.609,482 24.892,483 0.889,484 6.704,485 0.239,486 6.914,487 0.247,488 0.116,490 0.337,496 0.851,497 1.49,498 0.656,499 1.019,500 0.608,501 0.915,502 0.539,503 1.069,504 0.709,505 0.998,506 0.452,507 0.985,508 0.987,509 1.131,510 0.834,511 0.949,512 0.859,513 0.944,514 1.059,515 1.004,516 0.818,517 0.888,518 1.111,519 0.916,520 1.204,521 0.936,522 0.926,523 0.829,524 1.277,525 0.876,526 1.318,527 0.985,528 1.217,529 0.961,530 1.355,531 1,532 0.911,533 0.789,534 1.507,535 1.157,536 0.835,537 1.13,538 1.044,539 1.039,540 1.361,541 1.152,542 0.902,543 1.084,544 6,545 0.129,546 2.444,547 1.882,548 1.303,549 0.625,550 0.777,551 0.295,552 0.268,553 0.121,554 10468,555 29854,556 2.115,557 44,559 8,560 1,561 1,562 4,564 8,567 1.708,568 2,569 3.565,570 1.733,571 1,572 1,577 83.723,578 1.674,579 3.804,580 4.639,581 4.869,582 4.989,583 5.149,584 3.066,585 4.495,586 4.775,587 3.729,588 1409.63,589 8.291,590 18887.1,592 1,594 1,595 282.193,596 1.333,597 4.748,598 0.194,599 0.006,600 0.057,601 0.045,602 0.033,603 0.017,604 0.022,605 0.01,606 0.011,607 0.005,608 0.4,609 0.17,610 1,611 1.032,612 141.97,613 -0.115,614 -0.216,615 0.019,616 -0.024,617 -0.035,618 0.023,619 0.272,620 0.095,621 0.05,622 -0.026,623 0.211,624 -0.038,625 -0.116,626 -0.123,627 0.017,628 0.015,629 -0.035,630 0.032,631 -0.06,632 -0.022,633 0.057,634 0.051,635 -0.074,636 0.044,637 -0.145,638 0.037,639 0.025,640 0.12,641 -0.148,642 0.084,643 -0.169,644 0.016,645 -0.065,646 0.03,647 -0.207,648 -0.041,649 0.1,650 0.138,651 -0.131,652 -0.077,653 0.01,654 -0.098,655 -0.121,656 -0.132,657 -0.122,658 -0.089,659 -0.09,660 -0.045,661 1.799,662 4.454,663 0.75,664 28.408,665 1.009,666 1.139,667 2.346,668 5.502,669 0.669,670 3.466,671 3.784,672 4.043,673 4.331,674 4.543,675 4.615,676 4.762,677 4.905,678 4.927,679 5.017,680 7.05,681 0.638,682 399.93,683 3.466,684 5.004,685 5.849,686 6.727,687 7.59,688 8.475,689 9.346,690 10.234,691 11.111,692 12.001,693 14,698 1,700 2,701 1,703 3,708 2,709 5,710 3,711 1,714 4,716 16,728 1,734 1,735 50,737 17,739 31,741 53,742 19,743 11,748 4,749 5,750 1,753 1,757 6,760 6,762 12,763 7,767 1,772 1,776 1,780 1,783 22,784 7,785 4,786 9,787 1,792 7,797 0.75,798 1,809 1,810 1,811 1,815 1,816 3,819 1,843 3,847 1,848 1,851 28,858 4,860 3,863 2,873 1,874 2,877 1,881 14,882 8.993,883 6.167,884 3.054,886 3.272,887 1.424,888 0.995,889 5.76,890 10.988,891 3.714,892 4.301,893 4.874,894 5.495,895 6.014,896 6.364,897 6.811,898 7.265,899 7.472,900 7.848,901 1,902 42,903 10.325,905 4.399,906 7.73,907 19.796,909 16.421,911 2.23,912 62.444,915 1,916 211.88,917 84.535,918 121.174,919 39.149,920 25.145,923 84.535,924 276.173,925 121.174,926 8.396,927 46.16,928 37.476,929 106.999,930 34.348,931 60.166,932 188.338,934 211.88,935 205.71,936 25.145,937 39.149,939 117.711,940 119.314,943 78.364,944 58.979,945 68.367,946 39.149,947 211.88,948 146.319,949 123.684,952 211.88,953 29.615,954 54.92,955 70.818,956 114.65,957 211.88,958 146.319,959 123.684,961 0.577,962 0.332,963 0.182,964 0.1,965 21,966 9,967 0.075,968 4,969 1,970 1.095,971 4.047,972 241.169,973 0.095,974 21,975 130.606,981 19.124,982 8.434,983 4.459,984 1.799,985 129.534,986 9.283,987 13.32,988 3.158,991 2.592,993 70.818,994 481.883,995 40,1000 11.454,1004 -0.132,1007 50.432,1008 56.963,1009 0.297,1010 0.674,1011 0.822,1012 0.863,1013 0.884,1014 0.912,1015 4.949,1016 1.547,1017 5.826,1018 4.963,1019 4.466,1020 4.987,1021 1.812,1022 6.616,1023 4.358,1024 6.14,1025 1.434,1026 7.366,1027 4.23,1028 4.007,1029 4.783,1030 1.195,1031 7.445,1032 3.838,1033 7.438,1034 1.028,1035 9,1036 3.443,1037 6.038,1038 7.178,1039 2.419,1040 10.545,1041 5.844,1042 8.769,1043 1,1044 10.692,1045 2.559,1046 6.382,1047 7.838,1048 2.324,1049 12.231,1050 6.15,1051 10.134,1052 0.49,1053 12.421,1054 2.275,1055 7.877,1056 9.716,1057 3.244,1058 14.851,1059 7.618,1060 11.524,1061 0.45,1062 14.179,1063 1.18,1064 8.613,1065 10.812,1066 3.407,1067 16.928,1068 8.328,1069 12.935,1070 0.145,1071 15.959,1072 0.842,1073 9.884,1074 12.471,1075 4.156,1076 19.386,1077 9.573,1078 3.167,1079 -0.303,1080 17.758,1081 0.274,1082 10.819,1083 13.782,1084 4.464,1085 21.638,1086 10.487,1087 2.787,1088 10.928,1089 19.572,1090 -0.792,1091 11.996,1092 15.348,1093 5.111,1094 24.044,1095 11.641,1096 2.65,1097 8.381,1098 21.398,1099 4.535,1100 13.03,1101 16.762,1102 5.504,1103 26.373,1104 12.656,1105 2.386,1106 7.631,1107 23.237,1108 3.816,1109 14.173,1110 18.289,1111 6.091,1112 28.764,1113 13.777,1114 2.147,1115 7.114,1116 25.084,1117 2.962,1118 15.257,1119 19.751,1120 6.531,1121 31.126,1122 14.843,1123 1.998,1124 6.278,1125 26.94,1126 2.896,1127 16.389,1128 21.263,1129 7.083,1130 33.515,1131 15.955,1132 1.767,1133 5.322,1134 28.804,1135 2.655,1136 17.499,1137 22.748,1138 7.551,1139 35.892,1140 17.046,1141 9960,1142 16964,1143 20.978,1144 33.444,1145 46.19,1146 47.241,1147 47.451,1148 46.183,1149 45.995,1150 59.089,1151 4.606,1152 130.837,1153 43.337,1154 5.6,1155 5.54,1156 6.396,1157 5.216,1158 5.167,1159 7.535,1160 2.912,1161 18.109,1162 5.088,1163 12.365,1164 1.49,1165 1.524,1166 1.531,1167 1.49,1168 1.484,1169 1.906,1170 0.149,1171 4.221,1172 1.398,1173 4.125,1174 4.165,1175 4.113,1176 4.015,1177 7.431,1178 4.029,1179 3.913,1180 3.973,1181 3.918,1182 3.772,1183 5.139,1184 3.77,1185 3.76,1186 3.81,1187 3.766,1188 3.609,1189 5.006,1190 3.625,1191 3.555,1192 3.626,1193 3.477,1194 3.265,1195 4.515,1196 3.304,1197 3.367,1198 3.432,1199 3.345,1200 3.214,1201 4.373,1202 3.22,1203 3.225,1204 3.317,1205 3.222,1206 3.008,1207 4.305,1208 3.009,1209 3.111,1210 3.206,1211 3.009,1212 2.941,1213 4.174,1214 2.91,1215 2.961,1216 3.041,1217 2.866,1218 2.684,1219 3.964,1220 2.705,1221 0.148,1222 0.114,1223 0.217,1224 0.134,1225 0.102,1226 4.6,1227 0.146,1228 3.54,1229 0.053,1230 6.714,1231 0.353,1232 4.141,1233 0.1,1234 3.167,1235 4.535,1236 1.656,1237 10.928,1238 3.088,1239 1.911,1240 1.88,1241 2.084,1242 2.063,1243 1.476,1244 2.069,1245 1.872,1246 1.821,1247 1.967,1248 2.004,1249 1.082,1250 1.996,1251 1.722,1252 1.677,1253 1.791,1254 1.91,1255 0.847,1256 1.884,1257 1.45,1258 1.375,1259 1.705,1260 1.764,1261 0.825,1262 1.746,1263 1.378,1264 1.312,1265 1.537,1266 1.619,1267 0.784,1268 1.605,1269 1.197,1270 1.11,1271 1.513,1272 1.455,1273 0.678,1274 1.468,1275 1.153,1276 1.064,1277 1.456,1278 1.376,1279 0.496,1280 1.429,1281 1.002,1282 0.953,1283 1.17,1284 1.214,1285 0.275,1286 1.208,1287 4.143,1289 5.46,1290 2.398,1291 6.965,1292 4.727,1293 8.557,1294 6.843,1295 10.195,1297 1.625,1298 6.261,1303 3.674,1305 8.961,1308 0.45,1314 31.907,1315 83.723,1316 190.213,1317 231.928,1318 243.438,1319 249.438,1320 257.438,1321 43.599,1322 7.716,1323 107.62,1324 107.62,1325 23,1326 12.533,1327 4.17,1328 3.322,1329 42.614,1330 117,1331 134,1332 0.176,1333 199.921,1334 335,1335 479.568,1336 25110,1337 2,1338 19.51,1339 0.697,1340 0.58,1341 20.01,1342 16.254,1343 13.619,1344 0.439,1345 0.313,1346 9.231,1347 12.786,1348 9.032,1349 7.474,1350 13.907,1351 9.718,1352 12.26,1353 0.285,1354 0.17,1355 12.668,1356 7.305,1357 10.137,1358 0.181,1359 0.094,1360 10.372,1361 5.238,1362 8.619,1363 0.115,1364 0.051,1365 8.937,1366 3.794,1367 6.944,1368 0.075,1369 0.029,1370 7.176,1371 2.684,1372 0.28,1373 88.563,1374 0.218,1375 26.996,1376 0.47,1377 148,1378 426.206,1379 179.816,1380 445.074,1381 603.54,1382 416,1383 173,1384 428.922,1385 197.242,1386 441.978,1387 647.65,1388 417,1389 7.3}
{0 CHEMBL2005528,1 1.609,2 7.737,3 1.902,4 3.617,5 70.084,6 7.827,7 0.476,8 3.623,9 3.728,10 3.227,11 3.151,12 4.759,13 3.155,14 4.164,15 4.314,16 3.608,17 3.548,18 5.353,19 3.532,20 4.372,21 4.559,22 3.66,23 3.642,24 5.526,25 3.611,26 4.344,27 4.508,28 3.533,29 3.555,30 5.588,31 3.527,32 4.203,33 4.391,34 3.288,35 3.392,36 5.379,37 3.33,38 4.1,39 4.307,40 3.186,41 3.223,42 5.272,43 3.156,44 3.973,45 4.213,46 2.803,47 2.937,48 5.027,49 2.852,50 3.649,51 3.849,52 2.687,53 2.637,54 5.144,55 2.574,56 0.064,57 0.479,58 6.199,59 2.961,60 7.321,61 3.584,62 0.3,63 0.768,64 12.462,65 5.063,66 27.981,67 6.451,68 0.33,69 0.895,70 16.727,71 6.282,72 34.695,73 8.118,74 0.368,75 0.837,76 16.167,77 5.69,78 51.087,79 6.829,80 0.289,81 0.707,82 14.497,83 5.357,84 43.424,85 6.733,86 0.273,87 0.631,88 13.247,89 4.774,90 31.212,91 6.374,92 0.292,93 0.502,94 13.094,95 4.104,96 39.488,97 5.418,98 0.449,99 0.367,100 9.121,101 2.648,102 59.577,103 3.53,104 13,105 30,106 0.298,107 0.699,108 0.848,109 0.875,110 0.875,111 0.875,112 3.012,113 0.9,114 -2.67,115 -2.69,116 -2.62,119 42.4,120 1,121 1,125 2,142 3,143 3,152 2,158 2,172 6,174 1,175 3,178 1,180 4,183 6,188 5,191 1,192 1,193 4,196 5,200 7,205 2,208 4,213 4,218 2,221 3,225 4,228 2,230 2,233 2,246 1,249 2,253 2,255 1,258 1,276 382,277 12.939,278 12.939,279 12.939,280 12.939,281 12.939,282 11.625,283 12.088,284 7.593,285 13.221,286 10.319,287 10.319,288 10.319,289 10.319,290 10.319,291 8.063,292 10.17,293 3.502,294 10.636,295 3.435,296 1.274,297 0.47,298 0.326,299 0.326,300 0.326,301 3.689,304 1,305 1,306 1,307 316,308 2.828,311 26.267,312 74.798,315 106.618,319 1.252,320 23.717,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 42,332 147,333 4.685,334 3.671,335 6.854,336 4.252,337 3.265,338 4.625,339 1.674,340 11.427,341 3.218,342 4.115,343 3.625,344 6.081,345 3.765,346 2.772,347 3.586,348 1.058,349 8.747,350 2.742,351 3.782,352 3.072,353 5.819,354 3.4,355 2.406,356 3.135,358 7.75,359 2.379,360 3.295,361 2.27,362 5.112,363 2.888,364 1.898,365 2.589,367 5.792,368 1.874,369 2.967,370 1.924,371 4.384,372 2.528,373 1.591,374 2.062,376 4.102,377 1.477,378 2.694,379 1.789,380 4.158,381 2.332,382 1.388,383 1.718,385 3.532,386 1.305,387 2.481,388 1.559,389 3.828,390 2.199,391 1.197,392 1.474,394 3.022,395 1.194,396 2.095,397 1.48,398 3.213,399 1.841,400 0.863,401 1.005,403 1.552,404 0.83,405 1.951,406 0.983,407 2.93,408 1.494,409 0.509,410 0.703,412 1.161,413 0.496,414 1.149,415 0.369,416 2.462,417 0.755,418 -0.263,419 -0.336,421 -0.6,422 -0.264,423 0.778,424 0.221,425 2.322,426 0.425,427 -0.535,428 -0.6,430 -0.89,431 -0.512,432 0.663,433 -0.401,434 2.233,435 0.369,436 -0.647,437 -0.823,439 -1.605,440 -0.647,441 0.598,442 -0.648,443 2.153,444 0.127,445 -0.876,446 -1.273,448 -2.604,449 -0.877,450 0.195,451 -0.82,452 1.802,453 -0.103,454 -1.093,455 -1.393,457 -3.222,458 -1.077,459 -0.057,460 -0.99,461 1.476,462 -0.342,463 -1.366,464 -1.844,466 -3.462,467 -1.398,468 8.8,469 0.463,470 0.469,471 0.025,472 23.5,473 1.237,474 11,475 0.579,476 12.5,477 0.658,478 13.486,479 0.71,480 20.6,481 0.624,482 16.044,483 0.844,484 4.711,485 0.248,486 4.492,487 0.236,488 0.133,490 0.398,496 0.738,497 1.222,498 0.729,499 1.043,500 0.543,501 0.899,502 0.682,503 1.08,504 0.765,505 0.947,506 0.494,507 0.885,508 0.868,509 0.943,510 0.819,511 0.924,512 0.753,513 0.872,514 1.439,515 1.078,516 1.222,517 1.073,518 1.545,519 1.089,520 1.179,521 1.084,522 1.127,523 1.12,524 1.327,525 1.121,526 0.825,527 1.146,528 0.98,529 1.225,530 0.978,531 1.16,532 1.319,533 0.941,534 1.072,535 0.969,536 1.271,537 0.976,538 0.907,539 0.837,540 1.147,541 0.919,542 0.871,543 1.066,544 3.5,545 0.012,546 2.667,547 1.639,548 1.022,549 0.58,550 0.37,551 0.197,552 0.109,553 0.046,554 3001,555 8994,556 2.081,557 42.4,559 7,562 2,564 5,567 1.605,568 1.932,569 2.959,570 0.393,572 1,573 1,574 1,577 53.104,578 1.609,579 3.77,580 4.574,581 4.718,582 4.718,583 4.718,584 2.465,585 3.932,586 4.216,587 3.045,588 520.707,589 7.195,590 4928.69,591 1,592 1,594 1,595 166.465,596 1.462,597 4.171,598 0.167,599 0.006,600 0.089,601 0.053,602 0.039,603 0.029,604 0.022,605 0.018,606 0.012,607 0.011,608 0.446,609 0.67,610 1,611 1.315,612 80.876,613 -0.074,614 -0.047,615 0.033,616 0.001,617 -0.045,618 0.04,619 0.136,620 0.001,621 0.096,622 0.064,623 0.106,624 0.069,625 0.003,626 0.072,627 0.107,628 0.065,629 0.024,630 0.1,631 -0.29,632 -0.065,633 -0.28,634 -0.111,635 -0.235,636 -0.175,637 -0.176,638 -0.134,639 -0.175,640 -0.129,641 -0.16,642 -0.149,643 0.105,644 -0.199,645 -0.01,646 -0.254,647 -0.015,648 -0.18,649 -0.161,650 -0.098,651 -0.001,652 -0.019,653 -0.154,654 0.016,655 0.501,656 0.087,657 -0.078,658 -0.015,659 0.48,660 -0.157,661 2,662 4.742,663 0.684,664 12.964,665 1.015,666 1.125,667 1.444,668 2.086,669 0.665,670 3.091,671 3.434,672 3.761,673 4.06,674 4.317,675 4.443,676 4.585,677 4.727,678 4.635,679 4.511,680 4.58,681 0.647,682 258.3,683 3.091,684 4.635,685 5.509,686 6.409,687 7.309,688 8.218,689 9.128,690 10.042,691 10.956,692 11.873,693 6.1,700 1,701 1,708 2,709 3,711 1,714 3,716 10,723 1,726 1,735 33,737 12,738 1,739 21,741 35,742 14,743 8,744 3,745 3,746 2,748 3,749 6,754 1,757 1,760 1,762 10,763 4,767 2,772 2,776 2,779 1,780 1,783 14,784 4,785 2,786 5,792 2,797 0.333,798 3,811 1,815 1,816 2,819 2,843 1,847 1,851 19,858 3,860 1,861 1,874 9.1,877 2,879 1,881 9.833,882 6.25,883 4.222,884 2.153,886 2.313,887 1.339,888 1.005,889 3.03,890 9.141,891 3.367,892 3.994,893 4.66,894 5.299,895 5.877,896 6.326,897 6.744,898 7.148,899 7.22,900 7.194,901 1,902 31,903 7.045,905 3.064,906 7.956,907 13.255,909 10.989,911 2.456,912 46.667,913 0.001,916 141.253,917 72.228,918 34.796,920 61.29,923 72.228,924 202.543,925 34.796,926 8.825,927 27.243,928 28.429,929 62.186,930 36.73,931 4.901,932 141.253,934 141.253,935 107.024,936 61.29,939 82.398,940 120.145,943 52.854,944 54.17,947 141.253,948 96.086,949 72.228,952 141.253,953 34.974,954 37.254,955 34.796,956 61.29,957 141.253,958 96.086,959 72.228,961 0.58,962 0.352,963 0.195,964 0.108,965 16,966 7,967 0.086,968 3,969 2,970 1.308,971 3.088,972 145.309,973 0.308,974 13,975 80.711,981 12.24,982 4.704,983 2.02,984 1.797,985 79.3,986 5.314,988 3.1,991 2.092,993 34.796,994 309.567,995 28,1000 23.473,1004 -0.422,1007 33.487,1008 37.116,1009 0.319,1010 0.747,1011 0.907,1012 0.935,1013 0.935,1014 0.935,1015 4.61,1016 0.863,1017 5.509,1018 3.022,1019 4.111,1020 4.677,1021 2.18,1022 6.372,1023 4.067,1024 5.834,1025 0.509,1026 7.101,1027 1.552,1028 3.761,1029 4.663,1031 7.368,1032 3.739,1033 7.168,1034 -0.263,1035 8.795,1036 1.161,1037 5.746,1038 6.972,1039 2.956,1040 10.507,1041 5.675,1042 8.544,1043 -0.535,1044 10.549,1045 -0.6,1046 6.236,1047 7.818,1049 12.343,1050 6.181,1051 9.956,1052 -0.647,1053 12.34,1054 -0.89,1055 7.703,1056 9.627,1057 3.869,1058 15.003,1059 7.612,1060 11.393,1061 -0.876,1062 14.157,1063 -1.605,1064 8.571,1065 10.852,1067 17.184,1068 8.482,1069 12.85,1070 -1.093,1071 15.992,1072 -2.604,1073 9.841,1074 12.48,1075 4.85,1076 19.685,1077 9.727,1078 3.265,1079 -1.366,1080 17.841,1081 -3.222,1082 10.878,1083 13.874,1085 22.012,1086 10.757,1087 2.772,1088 11.427,1089 19.7,1090 -3.462,1091 12.077,1092 15.435,1093 5.861,1094 24.463,1095 11.936,1096 2.406,1097 8.747,1098 21.569,1099 4.625,1100 13.188,1101 16.904,1103 26.85,1104 13.036,1105 1.898,1106 7.75,1107 23.445,1108 3.586,1109 14.364,1110 18.443,1111 6.884,1112 29.287,1113 14.195,1114 1.591,1115 5.792,1116 25.328,1117 3.135,1118 15.509,1119 19.945,1121 31.7,1122 15.326,1123 1.388,1124 4.102,1125 27.216,1126 2.589,1127 16.68,1128 21.476,1129 7.911,1130 34.133,1131 16.481,1132 1.197,1133 3.532,1134 29.108,1135 2.062,1136 17.841,1137 22.994,1139 36.559,1140 17.628,1141 3004,1142 5273,1143 13.929,1144 21.943,1145 32.13,1146 33.892,1147 33.33,1148 31.74,1149 31.781,1150 41.794,1151 5.465,1152 94.169,1153 31.029,1154 5.629,1155 5.671,1156 6.623,1157 5.288,1158 5.265,1159 7.625,1160 3.349,1161 18.721,1162 5.218,1163 9.068,1164 1.53,1165 1.614,1166 1.587,1167 1.511,1168 1.513,1169 1.99,1170 0.26,1171 4.484,1172 1.478,1173 4.162,1174 4.191,1175 4.13,1176 4.076,1177 7.434,1178 4.085,1179 3.704,1180 3.734,1181 3.646,1182 3.55,1183 7.428,1184 3.565,1185 3.521,1186 3.579,1187 3.395,1188 3.294,1189 4.92,1190 3.301,1191 3.295,1192 3.365,1193 3.141,1194 3.098,1195 4.469,1196 3.102,1197 3.1,1198 3.127,1199 3.008,1200 2.864,1201 4.241,1202 2.899,1203 2.972,1204 3.017,1205 2.848,1206 2.811,1207 3.999,1208 2.811,1209 2.758,1210 2.809,1211 2.636,1212 2.451,1213 3.719,1214 2.498,1215 2.431,1216 2.532,1217 2.211,1218 2.188,1219 3.604,1220 2.18,1221 0.223,1222 0.175,1223 0.326,1224 0.202,1225 0.155,1226 4.685,1227 0.22,1228 3.671,1229 0.08,1230 6.854,1231 0.544,1232 4.252,1233 0.153,1234 3.265,1235 4.625,1236 1.674,1237 11.427,1238 3.218,1239 1.956,1240 1.94,1241 2.036,1242 2.034,1243 1.262,1244 2.034,1245 1.753,1246 1.71,1247 1.895,1248 1.954,1249 1.072,1250 1.936,1251 1.488,1252 1.429,1253 1.799,1254 1.747,1255 0.936,1256 1.76,1257 1.238,1258 1.183,1259 1.418,1260 1.482,1261 0.541,1262 1.472,1263 1.038,1264 0.992,1265 1.216,1266 1.257,1267 0.343,1268 1.238,1269 0.939,1270 0.908,1271 1.124,1272 1.225,1273 0.149,1274 1.193,1275 0.705,1276 0.631,1277 1.021,1278 0.995,1279 0.109,1280 1.008,1281 0.538,1282 0.468,1283 0.969,1284 0.85,1285 0.092,1286 0.893,1287 3.761,1289 5.094,1290 2.398,1291 6.637,1292 4.844,1293 8.279,1294 7.066,1295 9.971,1297 1.777,1303 1.75,1305 2.795,1306 4.99,1314 21.348,1315 53.104,1316 124.426,1317 150.955,1318 155.71,1319 155.71,1320 155.71,1321 30.293,1322 6.829,1323 71.19,1324 71.19,1325 17,1326 12.385,1327 3.7,1328 3,1329 27.749,1330 52,1331 60,1332 0.278,1333 130.896,1334 224.41,1335 311.146,1336 7060,1338 13.405,1339 0.706,1340 0.557,1341 13.405,1342 10.578,1343 9.203,1344 0.438,1345 0.3,1346 6.205,1347 8.792,1348 6.083,1349 5.006,1350 9.203,1351 6.303,1352 8.235,1353 0.274,1354 0.149,1355 8.235,1356 4.465,1357 7.24,1358 0.172,1359 0.079,1360 7.24,1361 3.305,1362 6.141,1363 0.108,1364 0.043,1365 6.141,1366 2.432,1367 4.985,1368 0.067,1369 0.023,1370 4.985,1371 1.707,1372 0.417,1373 58.142,1374 0.268,1375 18.597,1376 0.817,1377 102,1378 331.872,1379 113.856,1380 312.414,1381 423.33,1382 292,1383 123,1384 307.671,1385 134.223,1386 307.552,1387 457.45,1388 291,1389 5.1}
{0 CHEMBL2005548,1 1.794,2 13.879,3 4.386,4 19.233,5 128.448,6 9.196,7 0.444,8 4.091,9 4.188,10 3.824,11 3.66,12 5.296,13 3.658,14 4.593,15 4.732,16 4.247,17 4.023,18 5.846,19 4.016,20 4.836,21 4.98,22 4.3,23 4.151,24 6.164,25 4.105,26 4.93,27 5.152,28 4.31,29 4.094,30 6.136,31 4.034,32 4.762,33 4.936,34 4.067,35 3.956,36 6.074,37 3.947,38 4.686,39 4.841,40 4.134,41 4.024,42 5.982,43 4.002,44 4.707,45 4.85,46 4.14,47 4.034,48 6.05,49 3.979,50 4.731,51 4.944,52 3.996,53 3.892,54 5.999,55 3.817,56 0.164,57 0.762,58 7.081,59 4.447,60 11.444,61 4.99,62 0.469,63 1.174,64 16.284,65 7.535,66 39.758,67 8.935,68 0.847,69 1.388,70 25.314,71 9.834,72 81.49,73 10.917,74 0.854,75 1.468,76 41.529,77 11.57,78 82.969,79 14.588,80 0.899,81 1.278,82 25.943,83 8.248,84 107.318,85 8.226,86 0.634,87 1.222,88 21.796,89 7.988,90 71.425,91 8.552,92 0.566,93 1.232,94 19.64,95 8.972,96 57.316,97 10.337,98 0.76,99 1.177,100 28.124,101 9.746,102 85.981,103 11.949,104 68,105 54,106 0.295,107 0.654,108 0.765,109 0.825,110 0.832,111 0.832,112 3.532,113 0.898,114 -3.48,115 -3.46,116 -3.3,119 43.4,120 3,125 1,130 1,138 2,142 6,143 2,144 3,145 1,152 1,156 2,159 1,166 1,172 4,174 3,175 6,180 3,183 12,187 3,188 4,191 2,192 1,193 3,196 5,200 11,203 2,205 3,208 3,213 10,216 2,218 3,225 6,230 4,233 6,238 6,241 2,243 3,246 8,249 2,250 3,253 2,258 4,263 2,264 1,269 4,272 8,276 1993,277 21.256,278 21.256,279 21.256,280 21.256,281 21.256,282 18.776,283 26.945,284 11.955,285 21.772,286 17.716,287 17.716,288 17.716,289 17.716,290 17.716,291 13.72,292 38.992,293 5.665,294 18.632,295 3.934,296 1.75,297 1.072,298 0.703,299 0.666,300 0.666,301 4.216,302 2,306 1,307 975,308 4.301,310 83.622,311 83.573,312 209.388,315 145.78,319 2.246,320 46.745,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 72.667,332 458,333 4.658,334 3.967,335 6.951,336 4.307,337 3.301,338 4.538,339 2.172,340 11.623,341 3.323,342 4.593,343 3.844,344 6.713,345 4.161,346 3.213,347 4.154,348 0.657,349 10.894,350 3.051,351 4.227,352 3.265,353 6.416,354 4.005,355 3.046,356 3.877,357 0.4,358 10.039,359 2.9,360 4.149,361 3.254,362 6.058,363 3.782,364 2.849,365 3.368,366 0.262,367 8.702,368 2.628,369 3.816,370 2.944,371 5.665,372 3.444,373 2.472,374 3.087,376 7.61,377 2.389,378 3.467,379 2.831,380 5.28,381 3.049,382 2.134,383 2.778,385 6.412,386 2.009,387 3.444,388 2.753,389 4.987,390 3.015,391 2.069,392 2.703,394 5.837,395 1.818,396 3.06,397 2.568,398 4.916,399 2.619,400 1.662,401 2.221,403 4.837,404 1.564,405 2.999,406 2.276,407 4.798,408 2.497,409 1.509,410 2.1,412 4.397,413 1.487,414 2.869,415 1.997,416 4.438,417 2.437,418 1.419,419 1.964,421 4.129,422 1.43,423 2.815,424 1.659,425 4.173,426 2.349,427 1.414,428 1.798,430 3.722,431 1.238,432 2.599,433 1.433,434 3.917,435 2.071,436 1.095,437 1.58,439 2.917,440 1.057,441 2.094,442 1.267,443 3.344,444 1.715,445 0.734,446 0.916,448 1.736,449 0.696,450 2.011,451 0.838,452 3.229,453 1.512,454 0.552,455 0.787,457 1.365,458 0.525,459 1.542,460 0.764,461 3.022,462 1.151,463 0.18,464 0.23,466 0.443,467 0.161,468 15.862,469 0.481,470 1.227,471 0.037,472 42,473 1.273,474 20.5,475 0.621,476 21.5,477 0.652,478 30.139,479 0.913,480 35.138,481 0.663,482 34.982,483 1.06,484 8.263,485 0.25,486 7.268,487 0.22,488 0.248,489 0.032,490 0.372,496 0.665,497 1.204,498 0.544,499 0.901,500 0.571,501 0.832,502 0.656,503 1.205,504 0.551,505 0.853,506 0.535,507 0.781,508 1.032,509 1.173,510 1.037,511 1.075,512 0.693,513 1.129,514 0.814,515 1.036,516 0.796,517 0.934,518 0.779,519 0.869,520 1.651,521 0.767,522 0.949,523 0.683,524 1.818,525 0.805,526 1.238,527 0.919,528 0.91,529 0.854,530 1.278,531 0.896,532 0.788,533 1.346,534 0.862,535 1.313,536 1.036,537 1.307,538 0.858,539 0.915,540 0.761,541 0.935,542 1.107,543 0.962,544 9,545 0.256,546 4.667,547 3.569,548 2.054,549 1.292,550 1.159,551 0.616,552 0.524,553 0.308,554 16105,555 55962,556 2.001,557 37.7,559 8,561 1,562 2,564 9,567 1.75,568 1.808,569 3.716,570 0.252,577 95.099,578 1.794,579 3.978,580 4.656,581 5.024,582 5.062,583 5.062,584 3.204,585 4.718,586 5.014,587 3.935,588 2077.49,589 8.769,590 32033.2,595 303.58,596 1.71,597 4.933,598 0.25,599 0.009,600 0.09,601 0.071,602 0.044,603 0.03,604 0.025,605 0.015,606 0.015,607 0.01,608 0.558,609 0.33,610 0.88,611 1.107,612 177.503,613 -0.036,614 -0.035,615 0.01,616 -0.013,617 -0.071,618 0.014,619 0.13,620 -0.111,621 0.147,622 0.06,623 0.097,624 0.121,625 -0.015,626 -0.135,627 -0.16,628 -0.133,629 0.062,630 -0.223,631 0.077,632 -0.069,633 0.209,634 0.047,635 0.079,636 0.167,637 -0.405,638 0.285,639 -0.174,640 0.207,641 -0.339,642 0.072,643 -0.257,644 0.152,645 -0.137,646 0.061,647 -0.193,648 -0.002,649 0.059,650 -0.327,651 -0.109,652 -0.369,653 -0.014,654 -0.372,655 0.092,656 0.02,657 0.124,658 0.044,660 0.071,661 2.288,662 5.355,663 0.576,664 39.605,665 1.025,666 1.122,667 2.249,668 5.058,669 0.706,670 3.611,671 4.007,672 4.248,673 4.489,674 4.635,675 4.754,676 4.898,677 5.075,678 5.193,679 5.318,680 8.1,681 0.686,682 487.37,683 3.611,684 5.198,685 6.057,686 6.967,687 7.843,688 8.753,689 9.638,690 10.549,691 11.44,692 12.351,693 7.5,695 1,698 1,701 1,703 1,708 2,709 7,710 1,714 4,715 1,716 16,728 1,731 1,734 2,735 53,737 20,738 2,739 36,741 56,742 23,743 13,744 6,745 6,746 5,748 4,749 5,750 2,754 3,762 18,763 5,764 1,767 4,772 3,776 5,783 20,784 7,785 2,786 10,787 2,792 4,797 0.75,798 4,807 1,814 1,815 1,816 2,819 1,827 2,834 2,838 1,843 3,847 3,848 2,851 33,858 1,860 2,861 1,865 1,873 2,874 7.5,877 3,879 1,881 18.25,882 10.686,883 6.931,884 3.021,886 3.482,887 1.43,888 0.975,889 6.338,890 11.583,891 3.892,892 4.541,893 5.123,894 5.668,895 6.115,896 6.433,897 6.828,898 7.283,899 7.548,900 7.923,901 1,902 50,903 12.232,905 5.392,906 8.04,907 22.507,909 18.492,911 2.54,912 83.806,916 211.88,917 134.69,918 54.461,919 78.297,920 86.435,923 134.69,924 376.612,925 54.461,926 26.476,927 2.106,928 74.868,929 137.66,930 37.34,931 8.907,932 200.109,933 78.297,934 211.88,935 189.151,936 86.435,937 78.297,939 105.94,940 192.375,943 57.416,944 91.548,945 118.485,947 211.88,948 140.896,949 212.987,952 211.88,953 42.309,954 94.157,955 36.022,956 181.395,957 211.88,958 140.896,959 212.987,961 0.606,962 0.338,963 0.175,964 0.086,965 27,966 14,967 0.125,968 7,969 1,970 1.105,971 4.348,972 301.794,973 0.105,974 19,975 161.71,981 23.457,982 8.916,983 4.967,984 1.211,985 139.119,986 11.648,987 4.1,991 2.253,992 1.171,993 36.022,994 565.763,995 48,1000 36.612,1004 -1.488,1007 54.316,1008 59.456,1009 0.313,1010 0.695,1011 0.813,1012 0.877,1013 0.884,1014 0.884,1015 5.176,1016 1.662,1017 6.111,1018 5.837,1019 4.691,1020 5.228,1021 2.342,1022 6.986,1023 4.602,1024 6.438,1025 1.509,1026 7.722,1027 4.837,1028 4.575,1029 5.263,1030 1.784,1031 8.113,1032 4.434,1033 7.792,1034 1.419,1035 9.431,1036 4.397,1037 6.412,1038 7.498,1039 3.476,1040 11.171,1041 6.255,1042 9.179,1043 1.414,1044 11.197,1045 4.129,1046 7.048,1047 8.306,1048 3.553,1049 13.058,1050 6.861,1051 10.596,1052 1.095,1053 12.997,1054 3.722,1055 8.441,1056 10.081,1057 4.871,1058 15.701,1059 8.237,1060 12.034,1061 0.734,1062 14.822,1063 2.917,1064 9.384,1065 11.24,1066 5.235,1067 17.886,1068 9.162,1069 13.488,1070 0.552,1071 16.665,1072 1.736,1073 10.624,1074 12.838,1075 6.339,1076 20.39,1077 10.389,1078 3.301,1079 0.18,1080 18.521,1081 1.365,1082 11.695,1083 14.163,1084 6.865,1085 22.702,1086 11.448,1087 3.213,1088 11.623,1089 20.388,1090 0.443,1091 12.882,1092 15.689,1093 7.84,1094 25.154,1095 12.626,1096 3.046,1097 10.894,1098 22.263,1099 4.538,1100 14.005,1101 17.096,1102 8.462,1103 27.524,1104 13.744,1105 2.849,1106 10.039,1107 24.146,1108 4.154,1109 15.175,1110 18.595,1111 9.359,1112 29.959,1113 14.909,1114 2.472,1115 8.702,1116 26.035,1117 3.877,1118 16.323,1119 20.042,1120 10.041,1121 32.357,1122 16.054,1123 2.134,1124 7.61,1125 27.928,1126 3.368,1127 17.489,1128 21.533,1129 10.891,1130 34.786,1131 17.22,1132 2.069,1133 6.412,1134 29.826,1135 3.087,1136 18.648,1137 23.002,1138 11.609,1139 37.2,1140 18.38,1141 15579,1142 29257,1143 22.887,1144 37.409,1145 56.684,1146 59.431,1147 57.814,1148 55.644,1149 55.297,1150 72.204,1151 6.982,1152 169.325,1153 52.55,1154 5.604,1155 5.967,1156 6.301,1157 5.382,1158 5.301,1159 7.538,1160 3.872,1161 19.623,1162 5.323,1163 22.27,1164 1.575,1165 1.651,1166 1.606,1167 1.546,1168 1.536,1169 2.006,1170 0.194,1171 4.703,1172 1.46,1173 4.127,1174 4.163,1175 4.117,1176 4.009,1177 7.501,1178 4.025,1179 3.96,1180 3.981,1181 4.076,1182 3.888,1183 7.434,1184 3.883,1185 3.866,1186 3.874,1187 3.898,1188 3.751,1189 7.349,1190 3.776,1191 3.721,1192 3.765,1193 3.608,1194 3.556,1195 5.028,1196 3.556,1197 3.429,1198 3.48,1199 3.594,1200 3.215,1201 5.002,1202 3.248,1203 3.243,1204 3.303,1205 3.363,1206 3.084,1207 4.631,1208 3.077,1209 3.09,1210 3.111,1211 3.213,1212 2.9,1213 4.554,1214 2.919,1215 2.899,1216 3.009,1217 3.019,1218 2.797,1219 4.487,1220 2.769,1221 0.129,1222 0.11,1223 0.193,1224 0.12,1225 0.092,1226 4.658,1227 0.126,1228 3.967,1229 0.06,1230 6.951,1231 0.323,1232 4.307,1233 0.092,1234 3.301,1235 4.538,1236 2.172,1237 11.623,1238 3.323,1239 1.958,1240 1.936,1241 2.029,1242 2.074,1243 1.178,1244 2.058,1245 1.903,1246 1.885,1247 1.974,1248 1.99,1249 1.152,1250 1.991,1251 1.776,1252 1.772,1253 1.945,1254 1.917,1255 1.117,1256 1.916,1257 1.696,1258 1.647,1259 1.805,1260 1.876,1261 0.918,1262 1.87,1263 1.372,1264 1.314,1265 1.463,1266 1.679,1267 0.605,1268 1.622,1269 1.203,1270 1.145,1271 1.427,1272 1.429,1273 0.469,1274 1.437,1275 1.082,1276 1.048,1277 1.417,1278 1.28,1279 0.469,1280 1.308,1281 0.934,1282 0.824,1283 1.417,1284 1.239,1285 0.429,1286 1.308,1287 4.29,1289 5.694,1290 2.398,1291 7.277,1292 4.727,1293 8.939,1294 6.843,1295 10.641,1297 5.321,1298 12.079,1303 0.247,1305 5.943,1306 5.361,1310 -0.653,1314 36.341,1315 95.099,1316 210.855,1317 246.786,1318 266.296,1319 268.296,1320 268.296,1321 81.941,1322 8.101,1323 102.32,1324 102.32,1325 21,1326 12.87,1327 4.392,1328 3.7,1329 54.567,1330 161,1331 157,1332 0.165,1333 229.447,1334 404.86,1335 551.611,1336 40918,1337 3.8,1338 23.913,1339 0.725,1340 0.592,1341 24.913,1342 19.544,1343 15.531,1344 0.431,1345 0.299,1346 9.943,1347 14.328,1348 9.539,1349 7.914,1350 16.108,1351 10.782,1352 15.601,1353 0.289,1354 0.172,1355 16.38,1356 9.276,1357 12.051,1358 0.175,1359 0.078,1360 12.667,1361 5.372,1362 10.057,1363 0.114,1364 0.041,1365 10.753,1366 3.647,1367 7.252,1368 0.071,1369 0.022,1370 7.61,1371 2.215,1372 0.265,1373 103.883,1374 0.209,1375 31.032,1376 0.437,1377 180,1378 601.305,1379 230.907,1380 634.827,1381 835.94,1382 586,1383 213,1384 569.369,1385 255.063,1386 592.479,1387 870.59,1388 554,1389 5.1}
{0 CHEMBL2005631,1 1.776,2 13.313,3 3.445,4 11.867,5 124.504,6 8.645,7 0.629,8 4.065,9 4.179,10 3.78,11 3.665,12 5.306,13 3.643,14 4.533,15 4.678,16 4.161,17 4.052,18 5.8,19 4.009,20 4.75,21 4.906,22 4.266,23 4.172,24 6.034,25 4.124,26 4.855,27 5.032,28 4.325,29 4.17,30 6.147,31 4.112,32 4.817,33 5.005,34 4.162,35 4.098,36 6.165,37 4.019,38 4.739,39 4.949,40 3.935,41 3.97,42 5.999,43 3.893,44 4.605,45 4.804,46 3.798,47 3.854,48 5.825,49 3.789,50 4.569,51 4.793,52 3.738,53 3.792,54 5.769,55 3.708,56 0.115,57 0.862,58 8.544,59 4.433,60 13.108,61 4.911,62 0.341,63 1.337,64 16.962,65 7.836,66 31.208,67 9.087,68 0.4,69 1.648,70 21.036,71 9.438,72 49.115,73 10.523,74 0.558,75 1.77,76 29.278,77 10.756,78 75.306,79 11.97,80 0.603,81 1.642,82 30.328,83 10.911,84 83.763,85 12.106,86 0.602,87 1.518,88 29.604,89 9.96,90 90.359,91 10.93,92 0.414,93 1.277,94 19.928,95 7.544,96 57.19,97 9.052,98 0.4,99 1.251,100 22.118,101 8.497,102 54.833,103 10.33,104 39,105 50,106 0.292,107 0.665,108 0.813,109 0.868,110 0.875,111 0.875,112 3.502,113 0.906,114 -4.25,115 -4.19,116 -3.96,119 44.2,120 1,124 1,142 7,143 5,144 3,145 1,147 1,151 1,152 1,158 1,159 1,163 1,164 1,165 1,172 10,175 3,177 1,178 4,179 1,180 5,183 15,185 1,188 1,193 5,196 10,198 1,199 1,200 7,203 1,205 11,208 5,210 3,213 7,218 8,221 4,223 2,225 6,227 1,228 1,229 1,230 7,232 1,233 4,235 2,238 3,243 4,246 6,250 3,253 1,254 1,255 4,257 1,258 9,264 1,269 1,272 7,276 1706,277 21.386,278 21.386,279 21.386,280 21.386,281 21.386,282 18.456,283 21.624,284 12.309,285 21.831,286 17.164,287 17.164,288 17.164,289 17.164,290 17.164,291 12.655,292 25.287,293 5.735,294 17.831,295 3.925,296 1.655,297 0.753,298 0.414,299 0.375,300 0.375,301 4.193,305 1,306 1,307 914,308 3.742,311 75.094,312 314.849,315 142.349,319 2.125,320 39.699,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 70,332 426,333 4.742,334 3.601,335 7.006,336 4.276,337 3.308,338 4.717,339 1.656,340 11.944,341 3.202,342 4.253,343 3.575,344 6.286,345 3.853,346 2.891,347 3.891,348 1.058,349 9.345,350 2.786,351 4.159,352 3.21,353 6.093,354 3.786,355 2.791,356 3.75,357 0.247,358 8.873,359 2.759,360 3.926,361 3.12,362 5.717,363 3.55,364 2.571,365 3.381,367 7.603,368 2.508,369 3.676,370 2.661,371 5.439,372 3.305,373 2.326,374 2.993,376 7.082,377 2.269,378 3.482,379 2.42,380 4.974,381 3.097,382 2.119,383 2.807,385 5.762,386 2.065,387 3.382,388 2.341,389 4.933,390 2.936,391 1.978,392 2.69,394 5.387,395 1.89,396 3.292,397 2.142,398 4.8,399 2.792,400 1.873,401 2.523,403 5.273,404 1.689,405 2.94,406 1.802,407 4.44,408 2.465,409 1.489,410 2.066,412 4.028,413 1.443,414 2.808,415 1.703,416 4.113,417 2.352,418 1.373,419 1.916,421 3.605,422 1.334,423 2.556,424 1.116,425 3.966,426 2.018,427 1.071,428 1.579,430 2.881,431 1.004,432 2.5,433 1.089,434 3.573,435 2,436 1,437 1.5,439 2.275,440 1,441 2.234,442 1,443 3.414,444 1.632,445 0.8,446 1.116,448 2.028,449 0.648,450 1.535,451 0.861,452 3.017,453 1.23,454 0.287,455 0.341,457 0.67,458 0.262,459 1.491,460 0.78,461 2.786,462 1.206,463 0.277,464 0.316,466 0.406,467 0.256,468 15.286,469 0.478,470 0.891,471 0.028,472 45,473 1.406,474 24.5,475 0.766,476 20.5,477 0.641,478 24.873,479 0.777,480 33.314,481 0.641,482 36.753,483 1.149,484 9.041,485 0.283,486 6.327,487 0.198,488 0.154,490 0.393,494 1,496 0.724,497 0.984,498 0.711,499 0.806,500 0.616,501 0.777,502 0.53,503 0.869,504 0.77,505 0.859,506 0.525,507 0.815,508 0.987,509 1.063,510 0.883,511 0.959,512 0.958,513 0.978,514 1.096,515 1.165,516 1.021,517 1.138,518 1.157,519 1.025,520 0.917,521 1.056,522 1.26,523 1.233,524 0.855,525 1.102,526 1.264,527 0.988,528 1.334,529 1.081,530 1.205,531 1.025,532 1.105,533 0.986,534 0.951,535 0.949,536 1.082,537 1.102,538 0.967,539 0.957,540 0.898,541 0.951,542 0.979,543 1.005,544 7,545 0.153,546 4.222,547 2.465,548 2.25,549 1.257,550 0.788,551 0.445,552 0.275,553 0.284,554 14948,555 47666,556 2.045,557 38.5,558 3,559 10,560 1,561 1,562 5,567 1.74,568 1.882,569 3.667,570 2.376,572 1,577 92.333,578 1.776,579 4.046,580 4.947,581 5.287,582 5.325,583 5.325,584 3.102,585 4.476,586 4.972,587 3.878,588 1923.39,589 8.671,590 28900.1,592 1,595 296.423,596 1.505,597 4.914,598 0.2,599 0.007,600 0.084,601 0.047,602 0.044,603 0.028,604 0.021,605 0.013,606 0.009,607 0.011,608 0.464,610 1,611 0.922,612 170.226,613 -0.108,614 0.035,615 0.021,616 0.11,617 -0.099,618 0.087,619 0.16,620 0.123,621 0.094,622 0.119,623 0.082,624 0.111,625 -0.078,626 -0.041,627 -0.018,628 -0.006,629 -0.065,630 -0.057,631 -0.054,632 -0.141,633 0.04,634 -0.096,635 -0.093,636 -0.066,637 0.039,638 -0.105,639 -0.128,640 -0.158,641 0.106,642 -0.124,643 -0.174,644 0.046,645 -0.234,646 -0.045,647 -0.107,648 -0.045,649 -0.189,650 -0.101,651 -0.159,652 -0.098,653 -0.146,654 -0.161,655 -0.027,656 -0.005,657 0.02,658 -0.01,659 -0.028,660 0.013,661 2.216,662 5.858,663 0.656,664 35.563,665 1.016,666 1.125,667 3.019,668 9.117,669 0.704,670 3.584,671 3.932,672 4.22,673 4.5,674 4.727,675 4.796,676 4.898,677 5.037,678 5.075,679 5.153,680 7.901,681 0.679,682 449.55,683 3.584,684 5.142,685 6.004,686 6.897,687 7.779,688 8.676,689 9.567,690 10.467,691 11.363,692 12.267,693 9.6,697 1,700 3,703 1,708 2,709 9,710 1,713 1,714 8,716 22,723 1,727 1,734 1,735 52,737 24,738 2,739 35,741 55,742 23,743 19,744 5,745 7,746 1,748 4,749 5,753 1,754 1,762 21,763 2,767 2,772 2,776 2,780 1,781 1,783 20,784 8,785 5,786 9,787 1,792 5,797 0.75,798 2,809 1,815 1,816 3,819 1,843 3,845 1,847 2,849 1,851 32,852 1,860 3,869 1,873 1,874 3.8,877 2,881 17,882 9.926,883 7.028,884 2.833,886 4.339,887 1.54,888 1.023,889 6.283,890 12.369,891 3.892,892 4.546,893 5.171,894 5.809,895 6.367,896 6.704,897 7.119,898 7.578,899 7.871,900 8.219,901 0.889,902 53,903 11.837,905 5.137,906 8.01,907 21.896,909 17.818,911 2.51,912 80.333,915 1,916 176.567,917 173.533,918 103.715,920 50.29,921 14.96,922 31.278,923 142.256,924 226.856,925 118.675,926 17.222,927 54.032,928 106.88,929 83.551,930 38.997,931 34.081,932 184.302,934 176.567,935 245.971,936 65.25,937 31.278,939 191.527,940 50.29,943 71.905,944 157.28,945 16.786,946 31.278,947 191.527,948 154.005,949 173.533,952 176.567,953 73.282,954 100.252,955 54.032,956 114.933,957 176.567,958 168.965,959 173.533,961 0.588,962 0.351,963 0.189,964 0.106,965 24,966 12,967 0.073,968 4,969 1,970 1.095,971 4.261,972 291.473,973 0.095,974 21,975 156,977 1,981 22.028,982 9.128,983 4.559,984 1.47,985 168.965,986 15.017,987 4.172,990 1.416,991 3.481,993 86.929,994 519.065,995 48,1000 24.406,1004 -0.779,1007 52.822,1008 58.492,1009 0.311,1010 0.71,1011 0.868,1012 0.927,1013 0.934,1014 0.934,1015 5.133,1016 1.873,1017 6.009,1018 5.387,1019 4.615,1020 5.234,1021 2.084,1022 6.849,1023 4.543,1024 6.372,1025 1.489,1026 7.59,1027 5.273,1028 4.29,1029 5.156,1030 1.195,1031 7.82,1032 4.21,1033 7.701,1034 1.373,1035 9.27,1036 4.028,1037 6.24,1038 7.51,1039 2.617,1040 10.939,1041 6.113,1042 9.066,1043 1.071,1044 11.007,1045 3.605,1046 6.711,1047 8.252,1048 2.324,1049 12.76,1050 6.566,1051 10.462,1052 1,1053 12.783,1054 2.881,1055 8.155,1056 10.102,1057 3.348,1058 15.423,1059 7.975,1060 11.88,1061 0.8,1062 14.587,1063 2.275,1064 8.99,1065 11.242,1066 3.407,1067 17.613,1068 8.784,1069 13.318,1070 0.287,1071 16.412,1072 2.028,1073 10.245,1074 12.894,1075 4.204,1076 20.133,1077 10.007,1078 3.308,1079 0.277,1080 18.254,1081 0.67,1082 11.255,1083 14.237,1084 4.464,1085 22.484,1086 10.985,1087 2.891,1088 11.944,1089 20.111,1090 0.406,1091 12.442,1092 15.811,1093 5.132,1094 24.962,1095 12.141,1096 2.791,1097 9.345,1098 21.98,1099 4.717,1100 13.535,1101 17.255,1102 5.504,1103 27.382,1104 13.199,1105 2.571,1106 8.873,1107 23.859,1108 3.891,1109 14.702,1110 18.801,1111 6.1,1112 29.852,1113 14.334,1114 2.326,1115 7.603,1116 25.746,1117 3.75,1118 15.837,1119 20.296,1120 6.531,1121 32.303,1122 15.434,1123 2.119,1124 7.082,1125 27.641,1126 3.381,1127 17.003,1128 21.835,1129 7.087,1130 34.774,1131 16.566,1132 1.978,1133 5.762,1134 29.543,1135 2.993,1136 18.159,1137 23.355,1138 7.551,1139 37.239,1140 17.687,1141 14337,1142 25747,1143 22.887,1144 36.614,1145 52.807,1146 55.052,1147 55.545,1148 52.194,1149 52.311,1150 71.173,1151 5.923,1152 154.324,1153 50.234,1154 5.612,1155 5.601,1156 6.55,1157 5.382,1158 5.308,1159 7.717,1160 2.912,1161 19.456,1162 5.202,1163 18.813,1164 1.509,1165 1.573,1166 1.587,1167 1.491,1168 1.495,1169 2.034,1170 0.169,1171 4.409,1172 1.435,1173 4.121,1174 4.131,1175 4.341,1176 4.124,1177 8.201,1178 4.084,1179 3.944,1180 3.975,1181 3.907,1182 3.86,1183 7.432,1184 3.862,1185 3.85,1186 3.88,1187 3.813,1188 3.784,1189 7.428,1190 3.777,1191 3.534,1192 3.591,1193 3.553,1194 3.345,1195 5.179,1196 3.356,1197 3.425,1198 3.48,1199 3.384,1200 3.153,1201 4.779,1202 3.194,1203 3.263,1204 3.32,1205 3.339,1206 3.094,1207 4.653,1208 3.084,1209 3.167,1210 3.236,1211 3.049,1212 2.984,1213 4.58,1214 2.98,1215 3.08,1216 3.167,1217 2.952,1218 2.883,1219 4.252,1220 2.864,1221 0.135,1222 0.103,1223 0.2,1224 0.122,1225 0.095,1226 4.742,1227 0.135,1228 3.601,1229 0.047,1230 7.006,1231 0.341,1232 4.276,1233 0.091,1234 3.308,1235 4.717,1236 1.656,1237 11.944,1238 3.202,1239 1.962,1240 1.943,1241 2.037,1242 2.051,1243 1.179,1244 2.046,1245 1.905,1246 1.879,1247 2.011,1248 2.01,1249 1.122,1250 2.008,1251 1.832,1252 1.815,1253 1.877,1254 1.939,1255 1.022,1256 1.936,1257 1.452,1258 1.424,1259 1.672,1260 1.701,1261 0.692,1262 1.691,1263 1.335,1264 1.266,1265 1.536,1266 1.607,1267 0.631,1268 1.582,1269 1.26,1270 1.21,1271 1.433,1272 1.416,1273 0.585,1274 1.455,1275 1.13,1276 1.068,1277 1.324,1278 1.364,1279 0.3,1280 1.383,1281 0.949,1282 0.881,1283 1.211,1284 1.252,1285 0.218,1286 1.258,1287 4.263,1289 5.602,1290 2.398,1291 7.133,1292 4.727,1293 8.755,1294 6.88,1295 10.427,1297 3.379,1299 13.858,1301 6.109,1305 7.804,1314 35.321,1315 92.333,1316 210.368,1317 257.262,1318 274.913,1319 276.913,1320 276.913,1321 69.855,1322 8.03,1323 109.14,1324 137.38,1325 23,1326 12.788,1327 4.644,1328 3.807,1329 52.211,1330 155,1331 132,1332 0.166,1333 220.985,1334 378.9,1335 530.963,1336 37653,1337 1.9,1338 22.828,1339 0.713,1340 0.567,1341 22.311,1342 18.14,1343 15.367,1344 0.439,1345 0.302,1346 9.634,1347 14.356,1348 9.282,1349 7.74,1350 15.411,1351 10.574,1352 14.099,1353 0.282,1354 0.16,1355 14.106,1356 8.009,1357 11.922,1358 0.178,1359 0.089,1360 12.077,1361 5.933,1362 9.865,1363 0.111,1364 0.05,1365 10.7,1366 4.424,1367 8.129,1368 0.073,1369 0.027,1370 8.463,1371 2.973,1372 0.267,1373 100.883,1374 0.209,1375 30.228,1376 0.439,1377 170,1378 570.399,1379 209.006,1380 553.711,1381 744.5,1382 514,1383 202,1384 526.231,1385 238.95,1386 546.026,1387 798.84,1388 512,1389 7.2}
{0 CHEMBL2005718,1 1.917,2 10.167,3 1.799,4 3.237,5 95.659,6 9.147,7 0.615,8 3.816,9 3.921,10 3.707,11 3.391,12 4.918,13 3.358,14 4.338,15 4.487,16 3.954,17 3.744,18 5.735,19 3.705,20 4.545,21 4.746,22 3.85,23 3.817,24 5.678,25 3.744,26 4.469,27 4.665,28 3.846,29 3.788,30 5.555,31 3.701,32 4.504,33 4.72,34 3.789,35 3.749,36 5.62,37 3.636,38 4.419,39 4.646,40 3.842,41 3.649,42 5.514,43 3.549,44 4.257,45 4.454,46 3.747,47 3.522,48 5.537,49 3.417,50 4.154,51 4.359,52 3.633,53 3.413,54 5.288,55 3.286,56 0.136,57 0.66,58 8.401,59 3.581,60 17.18,61 3.859,62 0.456,63 0.995,64 17.365,65 6.181,66 55.307,67 7.014,68 0.555,69 1.094,70 23.036,71 7.366,72 69.805,73 8.506,74 0.408,75 1.028,76 20.355,77 7.134,78 47.716,79 8.752,80 0.508,81 1.002,82 23.285,83 7.625,84 53.979,85 9.56,86 0.485,87 0.905,88 24.155,89 6.659,90 47.06,91 8.411,92 0.467,93 0.772,94 21.69,95 6.004,96 43.425,97 7.209,98 0.34,99 0.686,100 20.132,101 5.569,102 38.405,103 6.203,104 22,105 37,106 0.336,107 0.688,108 0.834,109 0.886,110 0.886,111 0.886,112 3.228,113 1.094,114 -2.63,115 -2.65,116 -2.58,119 37.5,124 1,125 2,142 4,143 3,145 1,147 2,151 1,161 1,172 6,174 1,175 5,178 4,180 3,183 7,188 3,192 1,193 3,196 5,200 2,205 6,208 5,213 3,216 3,218 2,221 3,225 1,228 1,229 1,230 3,233 1,237 3,238 4,241 1,243 4,246 1,250 2,255 1,264 6,268 1,269 1,276 834,277 15.74,278 15.74,279 15.74,280 15.74,281 15.74,282 13.521,283 10.755,284 9.297,285 16.248,286 12.887,287 12.887,288 12.887,289 12.887,290 12.887,291 9.454,292 14.65,293 4.458,294 13.776,295 3.405,296 1.398,297 0.569,298 0.269,299 0.269,300 0.269,301 3.907,303 1,304 1,305 1,306 1,307 517,308 3.606,311 50.179,312 141.758,315 95.147,319 1.681,320 27.516,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 52.833,332 244,333 4.622,334 4.306,335 6.714,336 4.148,337 3.166,338 4.535,339 0.4,340 10.927,341 3.11,342 4.6,343 3.201,344 6.394,345 4.03,346 3.098,347 4.423,349 9.951,350 2.862,351 4.142,352 2.958,353 5.854,354 3.656,355 2.723,356 3.813,358 8.272,359 2.545,360 3.564,361 2.469,362 5.362,363 3.15,364 2.204,365 2.945,367 6.785,368 2.078,369 3.309,370 2.277,371 4.798,372 2.853,373 1.996,374 2.556,376 5.41,377 1.649,378 3.046,379 1.717,380 4.503,381 2.513,382 1.547,383 2.319,385 4.242,386 1.49,387 2.924,388 1.547,389 4.007,390 2.414,391 1.472,392 2.121,394 3.455,395 1.35,396 2.539,397 1.461,398 3.645,399 2.34,400 1.388,401 1.552,403 3.018,404 1.317,405 2.493,406 1.049,407 3.563,408 1.994,409 1.028,410 1.486,412 2.556,413 0.988,414 1.973,415 0.93,416 3.097,417 1.435,418 0.494,419 0.722,421 1.184,422 0.463,423 1.566,424 0.496,425 3.089,426 1.345,427 0.426,428 0.468,430 0.996,431 0.39,432 1,433 0.425,434 2.572,435 0.533,436 -0.374,437 -0.466,439 -0.969,440 -0.248,441 0.962,442 0.208,443 2.493,444 0.43,445 -0.461,446 -0.558,448 -1.243,449 -0.421,450 0.878,451 -0.349,452 2.124,453 0.194,454 -0.702,455 -0.878,457 -1.759,458 -0.631,459 0.674,460 -0.633,461 2,462 0.126,463 -0.844,464 -1.171,466 -2.081,467 -0.78,468 11.714,469 0.488,470 0.75,471 0.031,472 33.5,473 1.396,474 17.5,475 0.729,476 16,477 0.667,478 17.342,479 0.723,480 26.086,481 0.652,482 23.366,483 0.974,484 6.447,485 0.269,486 4.975,487 0.207,488 0.161,489 0.071,490 0.256,496 0.641,497 1.452,498 0.695,499 1.161,500 0.687,501 0.876,502 0.627,503 1.12,504 0.911,505 1.08,506 0.483,507 0.928,508 1.272,509 0.878,510 0.942,511 0.779,512 1.263,513 0.892,514 0.876,515 1.092,516 0.857,517 0.98,518 0.845,519 1.033,520 0.862,521 1.022,522 0.963,523 0.923,524 0.805,525 1.059,526 0.962,527 0.928,528 1.048,529 0.853,530 0.773,531 0.911,532 0.834,533 0.994,534 1.321,535 1.151,536 0.649,537 1.123,538 1.219,539 1.032,540 1.022,541 0.962,542 1.172,543 1.063,544 6,545 0.116,546 2.222,547 1.632,548 1.081,549 0.528,550 0.618,551 0.272,552 0.274,553 0.157,554 6375,555 23122,556 2.03,557 40,559 11,560 1,561 1,562 3,567 1.668,568 1.882,569 3.296,570 1.121,571 1,572 1,577 76.664,578 1.917,579 3.924,580 4.753,581 5.053,582 5.053,583 5.053,584 2.772,585 4.137,586 4.553,587 3.512,588 969.276,589 7.852,590 11566.5,591 1,592 1,594 1,595 212.877,596 1.601,597 4.498,598 0.231,599 0.01,600 0.06,601 0.049,602 0.035,603 0.019,604 0.023,605 0.011,606 0.014,607 0.009,608 0.462,609 0.33,610 1,611 1.577,612 114.924,613 0.005,614 -0.205,615 0.134,616 -0.086,617 -0.17,618 0.029,619 0.235,620 0.023,621 -0.075,622 -0.092,623 0.334,624 -0.025,625 -0.286,626 0.117,627 -0.129,628 0.108,629 -0.238,630 0.04,631 -0.087,632 -0.099,633 -0.044,634 -0.061,635 -0.103,636 -0.062,637 -0.001,638 -0.09,639 -0.05,640 -0.027,641 -0.037,642 -0.071,643 -0.041,644 0.005,645 0.046,646 0.062,647 -0.069,648 0.079,649 0.153,650 -0.02,651 -0.098,652 -0.156,653 0.142,654 -0.143,655 -0.203,656 -0.076,657 0.046,658 0.029,659 -0.172,660 -0.082,661 4.119,662 4.046,663 0.625,664 21.479,665 1.022,666 1.132,667 1.404,668 1.971,669 0.7,670 3.296,671 3.638,672 3.807,673 4.094,674 4.277,675 4.357,676 4.489,677 4.585,678 4.575,679 4.585,680 6.19,681 0.668,682 365.88,683 3.296,684 4.844,685 5.666,686 6.555,687 7.401,688 8.294,689 9.152,690 10.047,691 10.915,692 11.811,693 12.5,695 1,698 1,701 1,703 2,708 2,709 6,710 2,711 1,714 4,716 16,728 1,734 1,735 40,737 18,739 26,741 42,742 15,743 12,748 3,749 4,750 1,762 12,763 3,767 2,770 1,772 2,779 1,780 1,783 16,784 6,785 3,786 9,787 2,792 5,797 0.667,798 2,809 2,811 1,815 1,816 2,819 1,843 2,845 1,847 1,848 1,851 24,855 1,858 2,860 2,873 1,874 5,877 2,881 12.75,882 7.293,883 5.125,884 2.134,886 3.332,887 1.472,888 1.011,889 4.943,890 10.387,891 3.611,892 4.287,893 4.778,894 5.422,895 5.949,896 6.304,897 6.755,898 7.198,899 7.394,900 7.75,901 0.857,902 33,903 8.953,905 3.927,906 7.98,907 16.576,909 13.533,911 2.48,912 59.528,916 153.024,917 89.268,918 84.772,919 39.149,920 44.313,922 5.807,923 83.461,924 236.486,925 84.772,926 7.19,927 4.211,928 69.165,929 109.381,930 34.777,931 56.319,932 129.482,934 153.024,935 168.233,936 44.313,937 44.956,939 153.024,940 44.313,943 48.165,944 68.487,945 57.389,946 39.149,947 153.024,948 129.085,949 128.417,951 5.807,952 153.024,953 20.271,954 63.19,955 51.201,956 117.033,957 153.024,958 129.085,959 128.417,961 0.587,962 0.304,963 0.167,964 0.09,965 18,966 8,967 0.143,968 6,969 1,970 1.133,971 3.618,972 189.384,973 0.133,974 15,975 106.039,980 1,981 17.019,982 6.97,983 4.391,984 1.789,985 112.3,986 11.089,987 8.48,988 3.123,991 2.794,993 51.201,994 410.526,995 36,998 -3.202,1000 22.091,1007 40.865,1008 45.266,1009 0.36,1010 0.737,1011 0.893,1012 0.949,1013 0.949,1014 0.949,1015 4.844,1016 1.388,1017 5.694,1018 3.455,1019 4.317,1020 4.973,1021 0.278,1022 6.518,1023 4.196,1024 6.105,1025 1.028,1026 7.262,1027 3.018,1028 4.111,1029 5.121,1031 7.644,1032 3.902,1033 7.465,1034 0.494,1035 8.937,1036 2.556,1037 5.979,1038 7.35,1039 0.05,1040 10.603,1041 5.763,1042 8.865,1043 0.426,1044 10.675,1045 1.184,1046 6.538,1047 8.273,1049 12.492,1050 6.256,1051 10.297,1052 -0.374,1053 12.452,1054 0.996,1055 7.948,1056 10.047,1057 0.008,1058 15.043,1059 7.65,1060 11.751,1061 -0.461,1062 14.254,1063 -0.969,1064 8.834,1065 11.292,1067 17.214,1068 8.486,1069 13.221,1070 -0.702,1071 16.075,1072 -1.243,1073 10.071,1074 12.899,1075 0.001,1076 19.64,1077 9.7,1078 3.166,1079 -0.844,1080 17.909,1081 -1.759,1082 11.099,1083 14.282,1085 21.922,1086 10.687,1087 3.098,1088 10.927,1089 19.753,1090 -2.081,1091 12.271,1092 15.822,1094 24.308,1095 11.832,1096 2.723,1097 9.951,1098 21.605,1099 4.535,1100 13.36,1101 17.267,1103 26.638,1104 12.887,1105 2.204,1106 8.272,1107 23.464,1108 4.423,1109 14.508,1110 18.78,1112 29.011,1113 14.007,1114 1.996,1115 6.785,1116 25.327,1117 3.813,1118 15.623,1119 20.253,1121 31.364,1122 15.093,1123 1.547,1124 5.41,1125 27.194,1126 2.945,1127 16.763,1128 21.756,1130 33.736,1131 16.207,1132 1.472,1133 4.242,1134 29.065,1135 2.556,1136 17.891,1137 23.242,1139 36.099,1140 17.308,1141 6295,1142 12104,1143 16.989,1144 28.012,1145 39.093,1146 40.399,1147 39.438,1148 39.279,1149 39.083,1150 53.881,1151 0.8,1152 113.592,1153 36.482,1154 5.517,1155 6.306,1156 6.396,1157 5.195,1158 5.166,1159 7.535,1160 0.8,1161 18.107,1162 5.057,1163 12.734,1164 1.504,1165 1.554,1166 1.517,1167 1.511,1168 1.503,1169 2.072,1170 0.031,1171 4.369,1172 1.403,1173 4.13,1174 4.167,1175 4.714,1176 4.032,1177 7.718,1178 4.042,1179 3.967,1180 3.945,1181 4.115,1182 3.924,1183 6.999,1184 3.78,1185 3.82,1186 3.85,1187 3.918,1188 3.7,1189 5.102,1190 3.706,1191 3.459,1192 3.522,1193 3.437,1194 3.285,1195 4.988,1196 3.276,1197 3.352,1198 3.417,1199 3.317,1200 3.199,1201 4.428,1202 3.197,1203 2.937,1204 3.027,1205 3.145,1206 2.798,1207 4.343,1208 2.78,1209 2.888,1210 2.944,1211 2.816,1212 2.674,1213 4.109,1214 2.702,1215 2.71,1216 2.797,1217 2.605,1218 2.479,1219 3.923,1220 2.48,1221 0.178,1222 0.166,1223 0.258,1224 0.16,1225 0.122,1226 4.622,1227 0.174,1228 4.306,1229 0.015,1230 6.714,1231 0.42,1232 4.148,1233 0.12,1234 3.166,1235 4.535,1236 0.4,1237 10.927,1238 3.11,1239 1.93,1240 1.907,1241 1.995,1242 2.028,1243 1.152,1244 2.027,1245 1.791,1246 1.782,1247 1.885,1248 1.963,1249 1.102,1250 1.981,1251 1.739,1252 1.735,1253 1.775,1254 1.892,1255 0.92,1256 1.916,1257 1.453,1258 1.391,1259 1.59,1260 1.673,1261 0.862,1262 1.692,1263 1.348,1264 1.284,1265 1.518,1266 1.565,1267 0.532,1268 1.573,1269 1.005,1270 0.956,1271 1.192,1272 1.198,1273 0.294,1274 1.212,1275 0.894,1276 0.834,1277 1.125,1278 1.117,1279 0.246,1280 1.136,1281 0.678,1282 0.588,1283 0.963,1284 0.95,1285 0.088,1286 0.99,1287 3.97,1289 5.303,1290 2.398,1291 6.808,1292 4.727,1293 8.395,1294 6.843,1295 10.028,1297 1.119,1298 6.115,1303 0.661,1305 5.469,1314 26.712,1315 76.664,1316 156.961,1317 190.122,1318 202.122,1319 202.122,1320 202.122,1321 42.473,1322 7.055,1323 99.77,1324 108.15,1325 17,1326 12.342,1327 4.248,1328 3.459,1329 39.373,1330 88,1331 84,1332 0.219,1333 173.411,1334 286.1,1335 414.884,1336 10465,1337 2.5,1338 17.156,1339 0.715,1340 0.602,1341 17.906,1342 14.448,1343 11.422,1344 0.439,1345 0.365,1346 7.288,1347 9.914,1348 6.919,1349 5.732,1350 12.637,1351 9.478,1352 11.194,1353 0.303,1354 0.202,1355 13.008,1356 7.479,1357 7.86,1358 0.179,1359 0.097,1360 8.559,1361 4.274,1362 6.841,1363 0.116,1364 0.052,1365 7.486,1366 3.046,1367 5.311,1368 0.075,1369 0.026,1370 5.778,1371 1.86,1372 0.345,1373 84.17,1374 0.243,1375 23.578,1376 0.596,1377 126,1378 412.824,1379 185.391,1380 450.906,1381 596.48,1382 414,1383 144,1384 390.318,1385 201.829,1386 436.439,1387 625.89,1388 407,1389 6.6}
{0 CHEMBL2005792,1 1.687,2 10.806,3 3.821,4 14.6,5 115.489,6 7.824,7 0.647,8 4.105,9 4.224,10 3.707,11 3.589,12 5.287,13 3.599,14 4.62,15 4.796,16 4.083,17 3.972,18 5.771,19 3.97,20 4.831,21 5.016,22 4.173,23 4.124,24 5.993,25 4.093,26 5.027,27 5.285,28 4.122,29 4.12,30 6.086,31 4.079,32 4.837,33 5.053,34 4.146,35 4.124,36 5.895,37 4.093,38 4.88,39 5.079,40 4.206,41 4.163,42 6.094,43 4.134,44 4.887,45 5.085,46 4.109,47 4.135,48 6.006,49 4.084,50 4.892,51 5.123,52 3.943,53 4.015,54 6.011,55 3.935,56 0.101,57 0.903,58 10.266,59 4.498,60 12.861,61 5.711,62 0.43,63 1.407,64 20.222,65 7.32,66 40.885,67 9.57,68 0.442,69 1.708,70 24.805,71 9.3,72 43.07,73 12.409,74 0.843,75 1.748,76 36.598,77 9.797,78 91.847,79 14.302,80 0.447,81 1.635,82 26.346,83 8.574,84 37.062,85 12.304,86 0.639,87 1.753,88 26.623,89 8.613,90 59.041,91 12.108,92 0.441,93 1.713,94 27.178,95 9.778,96 37.803,97 13.279,98 0.635,99 1.633,100 29.58,101 9.769,102 59.622,103 13.572,104 33,105 49,106 0.277,107 0.648,108 0.812,109 0.841,110 0.841,111 0.841,112 3.473,113 0.862,114 -4.24,115 -4.18,116 -3.95,119 40.7,120 2,123 1,124 1,125 2,142 5,143 1,144 1,145 2,146 2,147 1,150 1,151 1,152 1,161 1,172 6,174 3,175 3,178 2,180 2,183 5,187 5,188 4,193 4,196 2,199 1,200 8,204 1,205 1,208 1,212 1,213 10,216 1,221 2,224 3,225 9,228 3,230 1,233 3,238 7,243 2,246 2,249 2,250 5,253 2,255 3,258 1,264 2,267 1,272 4,276 1781,277 20.894,278 20.894,279 20.894,280 20.894,281 20.894,282 18.371,283 14.925,284 11.986,285 21.532,286 16.624,287 16.624,288 16.624,289 16.624,290 16.624,291 12.753,292 19.518,293 5.513,294 17.648,295 4.068,296 1.81,297 0.812,298 0.635,299 0.635,300 0.635,301 4.166,305 1,306 1,307 713,308 3.808,311 63.686,312 257.971,315 124.384,319 1.567,320 34.932,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 68.5,332 335,333 4.767,334 3.383,335 7.065,336 4.299,337 3.353,338 4.724,339 0.86,340 12.227,341 3.179,342 4.195,343 3.228,344 6.69,345 4.169,346 3.179,347 3.791,348 0.4,349 10.767,350 3.148,351 4.143,352 2.946,353 6.258,354 3.698,355 2.755,356 3.667,358 9.292,359 2.605,360 4.044,361 2.862,362 5.881,363 3.609,364 2.656,365 3.233,367 8.202,368 2.515,369 3.742,370 2.638,371 5.408,372 3.29,373 2.367,374 3.149,376 6.974,377 2.174,378 3.489,379 2.349,380 5.049,381 3.07,382 2.138,383 2.833,385 6.012,386 1.979,387 3.211,388 2.033,389 5.007,390 2.759,391 1.845,392 2.461,394 5.582,395 1.681,396 3.016,397 1.559,398 4.419,399 2.467,400 1.526,401 2.266,403 4.036,404 1.431,405 2.739,406 1.411,407 4.265,408 2.24,409 1.297,410 1.844,412 3.493,413 1.217,414 2.606,415 1.199,416 3.644,417 2.068,418 1.128,419 1.656,421 2.668,422 1.055,423 2.5,424 1.173,425 3.55,426 2,427 1,428 1.5,430 2.275,431 1,432 2.261,433 1.121,434 3.459,435 1.771,436 0.882,437 1.175,439 2.143,440 0.78,441 1.825,442 1,443 3.414,444 1.631,445 0.719,446 0.777,448 1.613,449 0.652,450 1.584,451 0.77,452 2.925,453 1.218,454 0.345,455 0.411,457 0.583,458 0.299,459 1.37,460 0.599,461 2.853,462 1.211,463 0.332,464 0.348,466 0.477,467 0.29,468 14.352,469 0.463,470 0.844,471 0.027,472 42.25,473 1.363,474 21,475 0.677,476 21.25,477 0.685,478 26.206,479 0.845,480 33.648,481 0.623,482 34.254,483 1.105,484 8.337,485 0.269,486 6.578,487 0.212,488 0.148,489 0.035,490 0.307,494 1,496 0.816,497 1.339,498 0.738,499 1.156,500 0.732,501 0.972,502 0.884,503 0.959,504 0.754,505 0.831,506 0.715,507 0.779,508 0.799,509 1.245,510 0.945,511 1.227,512 0.814,513 1.142,514 1.129,515 0.78,516 0.897,517 0.629,518 1.049,519 0.681,520 0.739,521 0.914,522 0.819,523 0.843,524 0.5,525 0.83,526 0.748,527 0.885,528 0.986,529 0.954,530 0.562,531 0.991,532 0.888,533 1.156,534 1.028,535 1.224,536 0.71,537 1.17,538 0.884,539 1.061,540 1.09,541 1.177,542 0.825,543 1.184,544 7,545 0.247,546 3.778,547 2.104,548 2.118,549 1.289,550 0.74,551 0.663,552 0.487,553 0.411,554 11525,555 34231,556 2.057,557 42.6,558 6,559 12,560 1,561 2,562 2,567 1.744,568 1.908,569 3.355,570 0.257,572 1,577 91.105,578 1.687,579 3.945,580 4.942,581 5.12,582 5.12,583 5.12,584 2.854,585 4.607,586 4.92,587 3.543,588 1647.61,589 8.641,590 22829.4,592 1,594 1,595 310.764,596 1.595,597 4.87,598 0.206,599 0.01,600 0.077,601 0.041,602 0.043,603 0.025,604 0.014,605 0.014,606 0.013,607 0.013,608 0.456,609 0.17,610 1,611 1.319,612 158.562,613 -0.08,614 -0.245,615 0.042,616 -0.098,617 -0.095,618 -0.019,619 0.006,620 0.063,621 0.132,622 0.162,623 0.013,624 0.164,625 0.045,626 -0.174,627 -0.059,628 -0.22,629 0.009,630 -0.181,631 -0.141,632 0.094,633 0.125,634 0.284,635 -0.116,636 0.275,637 -0.063,638 0.016,639 0.079,640 0.114,641 -0.014,642 0.132,643 0.045,644 0.126,645 -0.097,646 -0.015,647 0.055,648 -0.071,649 -0.055,650 -0.178,651 -0.122,652 -0.221,653 -0.031,654 -0.193,655 0.042,656 -0.107,657 -0.119,658 -0.204,659 0.015,660 -0.206,661 1.992,662 5.51,663 0.677,664 31.27,665 1.014,666 1.139,667 3.014,668 9.083,669 0.662,670 3.555,671 3.912,672 4.19,673 4.477,674 4.787,675 4.956,676 5.153,677 5.333,678 5.438,679 5.476,680 6.454,681 0.642,682 422.51,683 3.555,684 5.118,685 5.979,686 6.88,687 7.769,688 8.68,689 9.582,690 10.5,691 11.411,692 12.334,693 11.1,698 1,701 1,703 4,708 1,709 8,710 4,714 7,716 22,728 1,733 1,734 1,735 54,737 22,738 1,739 34,741 57,742 22,743 16,744 2,745 4,748 4,749 5,754 3,755 1,762 16,763 6,780 1,781 1,783 23,784 8,785 2,786 9,789 1,792 6,797 0.75,798 2,799 1,806 1,810 1,815 1,816 3,819 1,841 1,843 3,847 3,849 1,851 31,857 1,858 2,860 1,861 1,865 1,873 1,874 3.7,875 1,879 1,881 16.25,882 10.676,883 6.833,884 2.993,886 4.222,887 1.533,888 0.953,889 5.857,890 12.144,891 3.829,892 4.48,893 5.12,894 5.786,895 6.425,896 6.873,897 7.403,898 7.925,899 8.319,900 8.672,901 1,902 51,903 11.428,905 4.865,906 7.874,907 21.448,909 17.365,911 2.374,912 73.583,915 1,916 247.193,917 134.169,918 86.439,920 53.683,921 14.96,923 134.169,924 300.876,925 101.399,926 28.533,927 2.106,928 99.112,929 110.41,930 48.201,931 36.202,932 211.88,934 247.193,935 220.608,936 68.643,939 262.153,940 11,941 42.683,943 48.265,944 87.19,945 85.153,947 262.153,948 140.123,949 134.169,952 247.193,953 31.112,954 104.343,955 18.011,956 135.785,957 247.193,958 155.083,959 134.169,961 0.586,962 0.342,963 0.176,964 0.106,965 24,966 11,967 0.123,968 7,969 1,970 1.095,971 4.041,972 292.076,973 0.095,974 21,975 147.58,981 21.165,982 8.578,983 4.361,984 0.522,985 153.796,986 12.96,987 17.914,991 3.152,993 60.694,994 536.444,995 45,1007 54.731,1008 61.485,1009 0.293,1010 0.686,1011 0.859,1012 0.89,1013 0.89,1014 0.89,1015 5.078,1016 1.526,1017 6.004,1018 5.582,1019 4.595,1020 5.168,1021 1.029,1022 6.874,1023 4.484,1024 6.319,1025 1.297,1026 7.604,1027 4.036,1028 4.369,1029 5.075,1031 8.063,1032 4.239,1033 7.657,1034 1.128,1035 9.311,1036 3.493,1037 6.29,1038 7.449,1039 0.763,1040 11.094,1041 6.095,1042 9.033,1043 1,1044 11.08,1045 2.668,1046 6.868,1047 8.178,1049 13.071,1050 6.658,1051 10.44,1052 0.882,1053 12.89,1054 2.275,1055 8.298,1056 10.049,1057 0.597,1058 15.699,1059 8.039,1060 11.869,1061 0.719,1062 14.727,1063 2.143,1064 9.216,1065 11.181,1067 17.972,1068 8.937,1069 13.316,1070 0.345,1071 16.583,1072 1.613,1073 10.475,1074 12.848,1075 0.47,1076 20.486,1077 10.156,1078 3.353,1079 0.332,1080 18.454,1081 0.583,1082 11.54,1083 14.191,1085 22.878,1086 11.194,1087 3.179,1088 12.227,1089 20.337,1090 0.477,1091 12.742,1092 15.774,1093 0.367,1094 25.361,1095 12.359,1096 2.755,1097 10.767,1098 22.228,1099 4.724,1100 13.872,1101 17.223,1103 27.804,1104 13.458,1105 2.656,1106 9.292,1107 24.127,1108 3.791,1109 15.057,1110 18.777,1111 0.283,1112 30.282,1113 14.606,1114 2.367,1115 8.202,1116 26.032,1117 3.667,1118 16.218,1119 20.277,1121 32.748,1122 15.731,1123 2.138,1124 6.974,1125 27.943,1126 3.233,1127 17.401,1128 21.823,1129 0.217,1130 35.23,1131 16.876,1132 1.845,1133 6.012,1134 29.857,1135 3.149,1136 18.576,1137 23.348,1139 37.708,1140 18.014,1141 11264,1142 19579,1143 22.364,1144 35.733,1145 51.279,1146 52.629,1147 53.362,1148 50.939,1149 51.045,1150 67.669,1151 2.52,1152 152.689,1153 48.011,1154 5.63,1155 5.383,1156 6.652,1157 5.373,1158 5.353,1159 7.724,1160 1.72,1161 19.748,1162 5.179,1163 16.835,1164 1.508,1165 1.548,1166 1.569,1167 1.498,1168 1.501,1169 1.99,1170 0.074,1171 4.491,1172 1.412,1173 4.156,1174 4.199,1175 4.14,1176 4.006,1177 8.201,1178 4.033,1179 3.854,1180 3.901,1181 3.805,1182 3.757,1183 6.456,1184 3.766,1185 3.838,1186 3.883,1187 3.775,1188 3.675,1189 5.155,1190 3.683,1191 3.714,1192 3.767,1193 3.611,1194 3.563,1195 4.961,1196 3.576,1197 3.333,1198 3.385,1199 3.269,1200 3.122,1201 4.679,1202 3.148,1203 3.21,1204 3.277,1205 3.065,1206 2.968,1207 4.48,1208 2.979,1209 3.117,1210 3.206,1211 2.966,1212 2.866,1213 4.304,1214 2.878,1215 2.981,1216 3.063,1217 2.768,1218 2.735,1219 4.26,1220 2.715,1221 0.14,1222 0.099,1223 0.208,1224 0.126,1225 0.099,1226 4.767,1227 0.139,1228 3.383,1229 0.025,1230 7.065,1231 0.36,1232 4.299,1233 0.093,1234 3.353,1235 4.724,1236 0.86,1237 12.227,1238 3.179,1239 1.925,1240 1.898,1241 2.012,1242 2.078,1243 1.286,1244 2.048,1245 1.85,1246 1.809,1247 1.994,1248 1.992,1249 1.116,1250 1.981,1251 1.784,1252 1.731,1253 1.913,1254 1.967,1255 0.986,1256 1.974,1257 1.681,1258 1.636,1259 1.784,1260 1.859,1261 0.778,1262 1.848,1263 1.292,1264 1.25,1265 1.571,1266 1.546,1267 0.578,1268 1.548,1269 1.161,1270 1.085,1271 1.417,1272 1.428,1273 0.544,1274 1.424,1275 1.067,1276 0.976,1277 1.414,1278 1.343,1279 0.469,1280 1.338,1281 0.934,1282 0.836,1283 1.333,1284 1.299,1285 0.425,1286 1.315,1287 4.234,1289 5.58,1290 2.398,1291 7.122,1292 4.844,1293 8.749,1294 7.081,1295 10.422,1297 5.421,1299 13.51,1302 9.49,1303 0.539,1305 3.177,1306 5.376,1310 -0.318,1314 34.682,1315 91.105,1316 213.049,1317 266.89,1318 276.499,1319 276.499,1320 276.499,1321 58.035,1322 7.923,1323 97.46,1324 97.46,1325 23,1326 12.843,1327 4.524,1328 3.585,1329 49.036,1330 113,1331 140,1332 0.205,1333 212.911,1334 359.37,1335 511.262,1336 29297,1337 1.9,1338 22.01,1339 0.71,1340 0.565,1341 21.14,1342 17.503,1343 14.914,1344 0.439,1345 0.287,1346 9.574,1347 14.161,1348 9.264,1349 7.752,1350 14.52,1351 9.768,1352 13.773,1353 0.281,1354 0.161,1355 13.151,1356 7.887,1357 11.545,1358 0.178,1359 0.075,1360 11.135,1361 4.872,1362 9.17,1363 0.105,1364 0.036,1365 9.019,1366 3.102,1367 8,1368 0.067,1369 0.018,1370 7.771,1371 2.181,1372 0.314,1373 94.89,1374 0.211,1375 28.592,1376 0.588,1377 166,1378 556.555,1379 186.499,1380 509.687,1381 695.22,1382 478,1383 197,1384 512.521,1385 218.799,1386 515.084,1387 757.9,1388 481,1389 5.1}
{0 CHEMBL2005828,1 1.606,2 12.444,3 2.904,4 8.435,5 103.173,6 8.169,7 0.733,8 3.913,9 4.029,10 3.555,11 3.462,12 5.137,13 3.472,14 4.368,15 4.51,16 3.914,17 3.838,18 5.607,19 3.824,20 4.559,21 4.728,22 3.915,23 3.931,24 5.712,25 3.896,26 4.643,27 4.849,28 3.864,29 3.878,30 5.824,31 3.824,32 4.594,33 4.815,34 3.697,35 3.727,36 5.765,37 3.68,38 4.371,39 4.583,40 3.537,41 3.574,42 5.539,43 3.536,44 4.251,45 4.472,46 3.415,47 3.529,48 5.325,49 3.452,50 4.217,51 4.435,52 3.314,53 3.436,54 5.328,55 3.354,56 0.077,57 0.681,58 7.505,59 3.433,60 9.965,61 4.06,62 0.31,63 1.036,64 13.276,65 5.897,66 25.318,67 7.339,68 0.213,69 1.216,70 17.043,71 6.987,72 26.876,73 8.701,74 0.341,75 1.242,76 21.037,77 8.002,78 37.48,79 10.565,80 0.404,81 1.122,82 21.991,83 7.317,84 52.274,85 9.242,86 0.349,87 0.951,88 16.724,89 5.269,90 43.607,91 6.531,92 0.21,93 0.851,94 14.34,95 5.439,96 23.321,97 7.412,98 0.271,99 0.786,100 14.456,101 5.525,102 32.47,103 7.13,104 10,105 42,106 0.273,107 0.627,108 0.74,109 0.802,110 0.825,111 0.832,112 3.339,113 0.833,114 -4.51,115 -4.43,116 -4.18,119 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 2,175 4,177 1,178 3,179 1,180 5,183 13,185 1,188 3,193 5,196 10,198 1,199 1,200 8,202 2,203 2,205 7,208 2,210 1,213 10,218 8,223 2,225 6,230 5,233 4,235 2,238 2,241 1,243 2,246 8,250 1,253 2,254 1,255 1,257 1,258 8,263 1,267 1,272 8,276 1048,277 18.309,278 18.309,279 18.309,280 18.309,281 18.309,282 15.515,283 17.311,284 10.757,285 18.56,286 14.814,287 14.814,288 14.814,289 14.814,290 14.814,291 10.684,292 22.301,293 5.13,294 15.206,295 3.853,296 1.772,297 1.108,298 0.744,299 0.608,300 0.563,301 4.038,304 1,305 1,306 1,307 739,308 3,311 63.281,312 263.844,315 118.978,319 2.025,320 23.373,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 58.5,332 336,333 4.666,334 3.562,335 6.884,336 4.216,337 3.229,338 4.626,339 1.656,340 11.489,341 3.187,342 4.088,343 3.244,344 5.857,345 3.703,346 2.732,347 3.679,348 0.247,349 8.077,350 2.65,351 4.017,352 2.708,353 5.577,354 3.593,355 2.61,356 3.622,358 7.625,359 2.566,360 3.738,361 2.645,362 5.354,363 3.372,364 2.392,365 3.083,367 6.976,368 2.335,369 3.504,370 2.332,371 5.034,372 3.126,373 2.146,374 2.822,376 5.879,377 2.097,378 3.419,379 2.24,380 4.959,381 2.939,382 1.992,383 2.797,385 5.677,386 1.882,387 3.232,388 2.058,389 4.606,390 2.795,391 1.795,392 2.455,394 4.868,395 1.784,396 2.978,397 1.539,398 4.389,399 2.448,400 1.494,401 2.186,403 4.018,404 1.422,405 2.553,406 1.088,407 3.81,408 2.031,409 1.065,410 1.578,412 2.687,413 1.026,414 2.5,415 1,416 3.414,417 2,418 1,419 1.5,421 2.275,422 1,423 2.5,424 1,425 3.414,426 2,427 1,428 1.5,430 2.275,431 1,432 2.187,433 0.811,434 3.314,435 1.715,436 0.745,437 1.053,439 1.811,440 0.721,441 1.424,442 0.709,443 2.966,444 1.151,445 0.194,446 0.227,448 0.483,449 0.185,450 1.297,451 0.418,452 2.513,453 0.908,454 -0.086,455 -0.109,457 -0.201,458 -0.084,459 1.042,460 -0.076,461 2.365,462 0.594,463 -0.327,464 -0.424,466 -0.754,467 -0.301,468 12.667,469 0.469,470 0.661,471 0.024,472 41,473 1.519,474 23,475 0.852,476 18,477 0.667,478 16.777,479 0.621,480 27.533,481 0.626,482 29.646,483 1.098,484 8.298,485 0.307,486 4.799,487 0.178,488 0.097,490 0.355,496 0.911,497 1.168,498 0.731,499 0.918,500 0.771,501 0.801,502 0.587,503 0.906,504 0.742,505 0.916,506 0.517,507 0.876,508 1.004,509 1.23,510 1.027,511 1.152,512 0.995,513 1.1,514 0.839,515 1.123,516 0.943,517 1.149,518 0.786,519 1.083,520 1.502,521 1.025,522 1.073,523 0.953,524 1.529,525 0.947,526 1.565,527 0.953,528 1.189,529 0.84,530 1.689,531 0.917,532 0.668,533 1.02,534 0.964,535 1.048,536 0.768,537 1.049,538 0.991,539 0.834,540 1.055,541 1.038,542 1.338,543 1.072,544 5.5,545 0.087,546 2.889,547 1.813,548 1.548,549 0.667,550 0.488,551 0.267,552 0.193,553 0.238,554 10133,555 28508,556 2.12,557 38.6,558 3,559 8,560 1,561 1,562 4,567 1.694,568 2,569 3.566,570 1.698,571 1,572 1,577 70.68,578 1.606,579 3.687,580 4.351,581 4.715,582 4.851,583 4.897,584 3.056,585 4.459,586 4.726,587 3.751,588 1316.74,589 8.167,590 17509.3,592 1,594 1,595 240.215,596 1.352,597 4.694,598 0.183,599 0.005,600 0.069,601 0.044,602 0.042,603 0.022,604 0.018,605 0.011,606 0.009,607 0.012,608 0.414,609 0.17,610 1,611 0.528,612 136.301,613 -0.128,614 -0.04,615 0.021,616 0.031,617 -0.148,618 0.057,619 0.282,620 0.165,621 0.083,622 0.052,623 0.155,624 0.025,625 -0.141,626 -0.196,627 -0.154,628 -0.185,629 -0.134,630 -0.172,631 0.11,632 -0.161,633 0.033,634 -0.165,635 0.125,636 -0.097,637 -0.219,638 -0.1,639 -0.014,640 0.023,641 -0.096,642 0.037,643 -0.344,644 0.059,645 -0.18,646 0.092,647 -0.293,648 0.011,649 0.05,650 -0.047,651 -0.001,652 -0.056,653 -0.016,654 -0.037,655 0.015,656 0.089,657 -0.045,658 -0.032,659 -0.103,660 -0.057,661 1.974,662 5.13,663 0.778,664 26.623,665 1.011,666 1.123,667 3.278,668 10.745,669 0.693,670 3.434,671 3.761,672 4.025,673 4.304,674 4.5,675 4.511,676 4.625,677 4.745,678 4.771,679 4.828,680 7.206,681 0.675,682 359.42,683 3.434,684 4.977,685 5.826,686 6.706,687 7.571,688 8.455,689 9.328,690 10.215,691 11.094,692 11.982,693 11.4,697 1,700 2,703 2,708 2,709 10,710 2,712 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 1,779 1,780 1,782 1,783 17,784 7,785 4,786 7,792 5,797 0.75,798 2,810 1,815 1,816 3,819 1,843 3,847 1,851 27,852 1,860 2,874 4.5,877 1,879 1,881 13.5,882 8.15,883 5.861,884 2.4,886 4.097,887 1.54,888 1.033,889 4.587,890 11.686,891 3.761,892 4.41,893 5.02,894 5.656,895 6.19,896 6.456,897 6.881,898 7.329,899 7.563,900 7.903,901 1,902 41,903 9.897,905 4.214,906 7.815,907 18.582,909 15.02,911 2.315,912 62.5,915 1,916 153.024,917 133.648,918 102.49,920 34.652,923 133.648,924 187.677,925 102.49,926 8.825,927 36.022,928 120.447,929 74.894,930 35.769,931 18.375,932 129.482,934 153.024,935 236.137,936 34.652,939 153.024,940 34.652,943 57.873,944 144.694,945 33.571,947 153.024,948 137.142,949 133.648,952 153.024,953 28.654,954 104.993,955 36.022,956 101.121,957 153.024,958 137.142,959 133.648,961 0.584,962 0.337,963 0.185,964 0.101,965 21,966 9,967 0.064,968 3,969 1,970 1.095,971 4.006,972 227.3,973 0.095,974 21,975 120.382,981 17.218,982 7.193,983 3.673,984 1.118,985 137.142,986 17.919,987 8.077,989 5.443,991 4.59,993 68.919,994 423.814,995 42,1000 12.13,1004 -0.307,1007 44.465,1008 49.402,1009 0.294,1010 0.675,1011 0.797,1012 0.864,1013 0.889,1014 0.897,1015 4.98,1016 1.494,1017 5.808,1018 4.868,1019 4.443,1020 5.097,1021 1.758,1022 6.608,1023 4.395,1024 6.205,1025 1.065,1026 7.357,1027 4.018,1028 4.007,1029 4.902,1030 1.195,1031 7.489,1032 3.949,1033 7.517,1034 1,1035 9.004,1036 2.687,1037 6.023,1038 7.352,1039 2.415,1040 10.599,1041 5.935,1042 8.865,1043 1,1044 10.71,1045 2.275,1046 6.399,1047 7.999,1048 2.324,1049 12.375,1050 6.304,1051 10.243,1052 0.745,1053 12.458,1054 2.275,1055 7.886,1056 9.912,1057 3.244,1058 15.02,1059 7.766,1060 11.646,1061 0.194,1062 14.238,1063 1.811,1064 8.653,1065 10.988,1066 3.407,1067 17.191,1068 8.529,1069 13.068,1070 -0.086,1071 16.042,1072 0.483,1073 9.926,1074 12.672,1075 4.156,1076 19.691,1077 9.782,1078 3.229,1079 -0.327,1080 17.867,1081 -0.201,1082 10.891,1083 13.974,1084 4.464,1085 22.026,1086 10.741,1087 2.732,1088 11.489,1089 19.709,1090 -0.754,1091 12.08,1092 15.558,1093 5.111,1094 24.482,1095 11.914,1096 2.61,1097 8.077,1098 21.566,1099 4.626,1100 13.143,1101 16.976,1102 5.504,1103 26.882,1104 12.969,1105 2.392,1106 7.625,1107 23.436,1108 3.679,1109 14.304,1110 18.521,1111 6.091,1112 29.327,1113 14.117,1114 2.146,1115 6.976,1116 25.316,1117 3.622,1118 15.416,1119 19.996,1120 6.531,1121 31.751,1122 15.22,1123 1.992,1124 5.879,1125 27.204,1126 3.083,1127 16.571,1128 21.527,1129 7.083,1130 34.193,1131 16.362,1132 1.795,1133 5.677,1134 29.099,1135 2.822,1136 17.708,1137 23.029,1138 7.551,1139 36.627,1140 17.489,1141 9501,1142 16109,1143 20.285,1144 30.506,1145 45.212,1146 45.967,1147 46.359,1148 44.783,1149 44.79,1150 62.257,1151 3.806,1152 128.278,1153 43.71,1154 5.532,1155 5.562,1156 6.428,1157 5.287,1158 5.229,1159 7.626,1160 2.912,1161 18.662,1162 5.187,1163 11.873,1164 1.507,1165 1.532,1166 1.545,1167 1.493,1168 1.493,1169 2.075,1170 0.127,1171 4.276,1172 1.457,1173 4.11,1174 4.127,1175 4.088,1176 3.998,1177 7.431,1178 4.015,1179 3.933,1180 3.967,1181 3.873,1182 3.856,1183 5.309,1184 3.853,1185 3.834,1186 3.868,1187 3.779,1188 3.722,1189 4.955,1190 3.736,1191 3.451,1192 3.501,1193 3.394,1194 3.196,1195 4.767,1196 3.236,1197 3.292,1198 3.347,1199 3.223,1200 3.068,1201 4.714,1202 3.092,1203 3.119,1204 3.194,1205 2.967,1206 2.897,1207 4.487,1208 2.914,1209 2.997,1210 3.102,1211 2.884,1212 2.735,1213 4.058,1214 2.733,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.872,1220 2.715,1221 0.156,1222 0.119,1223 0.229,1224 0.141,1225 0.108,1226 4.666,1227 0.154,1228 3.562,1229 0.055,1230 6.884,1231 0.383,1232 4.216,1233 0.106,1234 3.229,1235 4.626,1236 1.656,1237 11.489,1238 3.187,1239 1.948,1240 1.924,1241 2.042,1242 2.044,1243 1.156,1244 2.041,1245 1.91,1246 1.882,1247 2.022,1248 2.003,1249 1.129,1250 2.009,1251 1.742,1252 1.707,1253 1.8,1254 1.93,1255 0.855,1256 1.898,1257 1.375,1258 1.344,1259 1.566,1260 1.645,1261 0.622,1262 1.607,1263 1.269,1264 1.224,1265 1.452,1266 1.517,1267 0.427,1268 1.493,1269 1.071,1270 1.01,1271 1.289,1272 1.352,1273 0.218,1274 1.36,1275 0.886,1276 0.821,1277 1.181,1278 1.224,1279 0.218,1280 1.218,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.204,1286 1.107,1287 4.111,1289 5.434,1290 2.398,1291 6.946,1292 4.727,1293 8.545,1294 6.862,1295 10.19,1297 1.994,1301 5.941,1305 5.597,1314 29.697,1315 70.68,1316 162.241,1317 191.46,1318 207.46,1319 213.46,1320 215.46,1321 37.815,1322 7.589,1323 106.07,1324 106.07,1325 23,1326 12.514,1327 4.585,1328 3.7,1329 40.577,1330 120,1331 118,1332 0.167,1333 182.806,1334 305.06,1335 437.807,1336 22050,1338 18.803,1339 0.696,1340 0.539,1341 18.803,1342 14.562,1343 13.097,1344 0.437,1345 0.278,1346 8.208,1347 12.605,1348 8.009,1349 6.686,1350 13.097,1351 8.328,1352 11.97,1353 0.285,1354 0.145,1355 11.97,1356 6.111,1357 9.905,1358 0.18,1359 0.076,1360 9.905,1361 4.163,1362 8.46,1363 0.116,1364 0.038,1365 8.46,1366 2.774,1367 6.786,1368 0.076,1369 0.02,1370 6.786,1371 1.821,1372 0.27,1373 82.083,1374 0.222,1375 26.416,1376 0.438,1377 144,1378 434.739,1379 158.721,1380 425.987,1381 588.54,1382 398,1383 169,1384 444.282,1385 182.808,1386 452.15,1387 657.5,1388 424,1389 6.1}
{0 CHEMBL2005886,1 1.662,2 12.971,3 2.385,4 5.69,5 133.134,6 8,7 0.421,8 4.213,9 4.329,10 3.837,11 3.742,12 5.311,13 3.735,14 4.756,15 4.916,16 4.225,17 4.152,18 5.84,19 4.125,20 5.012,21 5.205,22 4.295,23 4.304,24 6.083,25 4.244,26 5.067,27 5.279,28 4.278,29 4.307,30 6.157,31 4.224,32 5.094,33 5.323,34 4.234,35 4.276,36 6.136,37 4.198,38 5.051,39 5.274,40 4.17,41 4.258,42 6.055,43 4.177,44 5.032,45 5.254,46 4.188,47 4.214,48 6.19,49 4.142,50 4.968,51 5.195,52 4.066,53 4.128,54 6.044,55 4.047,56 0.095,57 0.901,58 11.479,59 5.166,60 12.808,61 6.535,62 0.348,63 1.451,64 22.949,65 8.799,66 30.054,67 11.367,68 0.543,69 1.761,70 33.93,71 11.594,72 49.555,73 15.362,74 0.632,75 1.854,76 35.496,77 12.815,78 66.112,79 17.385,80 0.632,81 1.848,82 39.649,83 12.355,84 68.706,85 16.904,86 0.551,87 1.745,88 38.186,89 12.362,90 59.6,91 16.754,92 0.71,93 1.728,94 35.126,95 11.646,96 84.157,97 16.089,98 0.699,99 1.575,100 33.691,101 10.927,102 68.879,103 14.557,104 17,105 54,106 0.267,107 0.664,108 0.82,109 0.877,110 0.877,111 0.877,112 3.561,113 0.916,114 -3.35,115 -3.33,116 -3.19,119 41.7,120 1,125 5,127 1,135 1,136 1,137 1,138 1,142 6,143 2,144 2,146 1,152 1,158 1,161 1,172 6,175 5,178 2,180 7,183 9,187 1,188 4,192 1,193 4,196 5,199 1,200 3,203 5,204 3,205 6,208 4,212 1,213 2,218 5,221 4,225 4,230 6,233 6,238 5,241 3,242 2,243 6,246 4,249 2,250 5,253 2,255 4,258 4,264 3,269 4,272 2,276 2214,277 23.085,278 23.085,279 23.085,280 23.085,281 23.085,282 20.683,283 32.179,284 13.555,285 23.721,286 18.775,287 18.775,288 18.775,289 18.775,290 18.775,291 14.963,292 47.172,293 6.459,294 19.837,295 4.245,296 1.772,297 0.796,298 0.446,299 0.446,300 0.446,301 4.267,302 1,306 1,307 969,308 3.24,311 68.637,312 423.403,315 131.029,319 2.09,320 36.642,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 73.833,332 441,333 4.655,334 3.63,335 6.797,336 4.205,337 3.235,338 4.577,339 1.058,340 11.196,341 3.139,342 4.392,343 3.244,344 6.502,345 3.987,346 3.008,347 3.926,348 0.86,349 10.173,350 2.946,351 4.134,352 3.206,353 6.074,354 3.799,355 2.831,356 3.701,357 0.8,358 8.798,359 2.733,360 3.908,361 2.966,362 6.052,363 3.622,364 2.685,365 3.255,366 0.765,367 8.697,368 2.509,369 3.509,370 2.817,371 5.25,372 3.15,373 2.244,374 2.835,375 0.4,376 6.346,377 2.047,378 3.479,379 2.668,380 5.056,381 3.07,382 2.115,383 2.729,385 5.94,386 1.991,387 3.304,388 2.314,389 4.983,390 2.949,391 1.971,392 2.417,394 5.661,395 1.867,396 3.199,397 2.234,398 4.888,399 2.792,400 1.842,401 2.396,403 5.253,404 1.747,405 2.968,406 1.888,407 4.523,408 2.661,409 1.718,410 2.023,412 4.556,413 1.611,414 2.785,415 1.689,416 4.089,417 2.357,418 1.414,419 1.852,421 3.561,422 1.286,423 2.72,424 1.542,425 3.808,426 2.17,427 1.231,428 1.685,430 2.907,431 1.149,432 2.481,433 1.466,434 3.713,435 2.09,436 1.142,437 1.46,439 2.71,440 1.076,441 2.333,442 1.256,443 3.473,444 2.018,445 1.076,446 1.303,448 2.52,449 1.001,450 2.046,451 1.167,452 3.43,453 1.952,454 1,455 1,457 2.136,458 0.946,459 2,460 0.882,461 3.247,462 1.615,463 0.689,464 0.916,466 1.915,467 0.636,468 16.214,469 0.477,470 0.853,471 0.025,472 42,473 1.235,474 19,475 0.559,476 23,477 0.676,478 31.877,479 0.938,480 36.586,481 0.61,482 34.511,483 1.015,484 8.501,485 0.25,486 7.991,487 0.235,488 0.116,490 0.364,496 0.876,497 1.329,498 0.667,499 0.98,500 0.749,501 0.885,502 1.009,503 1.163,504 0.762,505 0.91,506 0.71,507 0.888,508 1.052,509 1.13,510 0.971,511 0.991,512 0.93,513 0.991,514 0.71,515 1.043,516 0.857,517 1.057,518 0.887,519 1.069,520 0.994,521 1.04,522 0.956,523 0.995,524 1.017,525 0.991,526 1.026,527 1.033,528 0.984,529 1.017,530 1.028,531 0.996,532 0.841,533 1.057,534 0.82,535 0.976,536 0.927,537 0.983,538 1.202,539 0.863,540 0.894,541 0.84,542 1.335,543 0.933,544 6.5,545 0.175,546 4,547 2.694,548 1.881,549 1.383,550 0.816,551 0.61,552 0.414,553 0.323,554 17419,555 48569,556 2.127,557 43.3,558 3,559 18,560 1,562 4,567 1.761,568 2,569 3.642,570 1.546,577 99.741,578 1.662,579 4.135,580 5.111,581 5.461,582 5.461,583 5.461,584 3.116,585 4.911,586 5.056,587 3.828,588 2147.57,589 8.877,590 32615.5,595 354.413,596 1.379,597 5.023,598 0.171,599 0.005,600 0.074,601 0.048,602 0.035,603 0.028,604 0.017,605 0.012,606 0.01,607 0.008,608 0.408,609 0.17,610 0.75,611 0.513,612 182.048,613 -0.102,614 -0.125,615 0.02,616 0.002,617 -0.102,618 0.035,619 -0.076,620 -0.035,621 0.017,622 0.05,623 -0.002,624 0.037,625 -0.09,626 -0.072,627 -0.073,628 -0.024,629 -0.035,630 -0.04,631 0.143,632 -0.004,633 -0.008,634 -0.098,635 0.07,636 -0.102,637 -0.063,638 -0.017,639 -0.035,640 -0.05,641 -0.031,642 -0.03,643 -0.099,644 -0.037,645 -0.061,646 -0.045,647 -0.076,648 -0.016,649 0.127,650 -0.038,651 0.013,652 -0.039,653 0.173,654 -0.027,655 -0.094,656 0.134,657 -0.032,658 0.094,659 -0.126,660 0.016,661 2.125,662 5.818,663 0.794,664 38.308,665 1.009,666 1.127,667 2.12,668 4.494,669 0.677,670 3.664,671 4.007,672 4.304,673 4.595,674 4.828,675 4.942,676 5.13,677 5.268,678 5.403,679 5.545,680 7.584,681 0.648,682 480.01,683 3.664,684 5.22,685 6.084,686 6.974,687 7.855,688 8.752,689 9.641,690 10.541,691 11.436,692 12.34,693 8.3,695 1,699 1,700 1,701 1,703 1,708 2,709 6,710 1,711 1,714 5,716 16,730 1,734 1,735 60,737 19,738 2,739 38,741 64,742 25,743 13,744 6,745 6,746 5,748 5,749 6,750 1,754 1,760 1,762 18,763 7,767 3,772 1,774 2,776 3,783 26,784 7,785 4,786 9,787 1,789 1,792 5,797 0.8,798 3,800 1,815 1,816 4,819 1,829 1,834 2,835 1,838 1,841 1,842 1,843 4,847 1,848 1,851 34,857 1,858 5,860 2,861 1,863 1,864 1,873 1,874 5,875 1,877 1,878 1,881 17,882 10.826,883 7.361,884 3.515,886 3.558,887 1.423,888 0.991,889 6.721,890 11.977,891 3.912,892 4.519,893 5.126,894 5.738,895 6.266,896 6.658,897 7.102,898 7.526,899 7.827,900 8.186,901 0.889,902 56,903 12.618,905 5.491,906 7.753,907 24.054,909 20.11,911 2.253,912 76.611,916 258.964,917 129.6,918 72.717,919 39.149,920 78.828,923 129.6,924 376.941,925 72.717,926 8.825,927 42.56,928 127.028,929 62.72,930 37.868,931 13.915,932 247.193,933 39.149,934 258.964,935 202.317,936 78.828,937 39.149,939 258.964,940 25.145,941 53.683,943 81.606,944 91.692,945 68.167,947 258.964,948 151.545,949 168.749,952 258.964,953 45.394,954 87.331,955 52.807,956 134.762,957 258.964,958 151.545,959 168.749,961 0.586,962 0.346,963 0.191,964 0.104,965 27,966 12,967 0.094,968 6,969 1,970 1.074,971 4.467,972 328.993,973 0.074,974 27,975 168.974,981 23.085,982 9.899,983 4.925,984 1.685,985 134.76,986 11.27,987 4.748,988 3.331,991 3.857,993 95.49,994 579.258,995 49,1000 12.818,1002 3.338,1004 0.701,1007 60.534,1008 67.631,1009 0.281,1010 0.7,1011 0.865,1012 0.925,1013 0.925,1014 0.925,1015 5.17,1016 1.842,1017 6.075,1018 5.661,1019 4.691,1020 5.207,1021 1.97,1022 6.905,1023 4.593,1024 6.38,1025 1.718,1026 7.644,1027 5.253,1028 4.29,1029 5.056,1030 0.325,1031 7.828,1032 4.151,1033 7.696,1034 1.414,1035 9.314,1036 4.556,1037 6.301,1038 7.422,1039 1.758,1040 10.953,1041 6.133,1042 9.049,1043 1.231,1044 11.043,1045 3.561,1046 6.723,1047 8.121,1048 0.268,1049 12.722,1050 6.528,1051 10.435,1052 1.142,1053 12.811,1054 2.907,1055 8.202,1056 9.969,1057 1.667,1058 15.357,1059 7.979,1060 11.847,1061 1.076,1062 14.605,1063 2.71,1064 9.006,1065 11.076,1066 0.188,1067 17.476,1068 8.761,1069 13.278,1070 1,1071 16.42,1072 2.52,1073 10.273,1074 12.713,1075 1.639,1076 19.942,1077 10.001,1078 3.235,1079 0.689,1080 18.249,1081 2.136,1082 11.257,1083 14.022,1084 0.125,1085 22.211,1086 10.963,1087 3.008,1088 11.196,1089 20.09,1090 1.915,1091 12.44,1092 15.573,1093 1.651,1094 24.62,1095 12.12,1096 2.831,1097 10.173,1098 21.94,1099 4.577,1100 13.508,1101 16.981,1102 0.082,1103 26.955,1104 13.164,1105 2.685,1106 8.798,1107 23.797,1108 3.926,1109 14.66,1110 18.499,1111 1.691,1112 29.347,1113 14.291,1114 2.244,1115 8.697,1116 25.661,1117 3.701,1118 15.768,1119 19.957,1120 0.054,1121 31.713,1122 15.373,1123 2.115,1124 6.346,1125 27.53,1126 3.255,1127 16.912,1128 21.465,1129 1.75,1130 34.103,1131 16.491,1132 1.971,1133 5.94,1134 29.403,1135 2.835,1136 18.04,1137 22.949,1138 0.035,1139 36.485,1140 17.592,1141 16234,1142 27261,1143 25.66,1144 40.625,1145 57.956,1146 59.224,1147 59.119,1148 57.448,1149 57.373,1150 73.241,1151 7.766,1152 167.098,1153 54.248,1154 5.655,1155 5.63,1156 6.599,1157 5.308,1158 5.235,1159 7.577,1160 2.117,1161 18.247,1162 5.139,1163 15.518,1164 1.525,1165 1.559,1166 1.556,1167 1.512,1168 1.51,1169 1.927,1170 0.204,1171 4.397,1172 1.428,1173 4.144,1174 4.184,1175 4.117,1176 4.027,1177 7.429,1178 4.043,1179 3.934,1180 3.96,1181 4.001,1182 3.874,1183 6.45,1184 3.867,1185 3.838,1186 3.876,1187 3.799,1188 3.715,1189 5.055,1190 3.729,1191 3.731,1192 3.785,1193 3.629,1194 3.517,1195 4.928,1196 3.534,1197 3.453,1198 3.511,1199 3.468,1200 3.267,1201 4.634,1202 3.271,1203 3.375,1204 3.445,1205 3.274,1206 3.196,1207 4.579,1208 3.206,1209 3.155,1210 3.221,1211 3.175,1212 2.997,1213 4.312,1214 2.99,1215 3.111,1216 3.206,1217 3.01,1218 2.941,1219 4.293,1220 2.91,1221 0.122,1222 0.096,1223 0.179,1224 0.111,1225 0.085,1226 4.655,1227 0.12,1228 3.63,1229 0.028,1230 6.797,1231 0.295,1232 4.205,1233 0.083,1234 3.235,1235 4.577,1236 1.058,1237 11.196,1238 3.139,1239 1.955,1240 1.927,1241 2.048,1242 2.073,1243 1.262,1244 2.067,1245 1.915,1246 1.892,1247 2.014,1248 2.021,1249 1.194,1250 2.02,1251 1.818,1252 1.789,1253 1.898,1254 1.954,1255 1.098,1256 1.946,1257 1.647,1258 1.591,1259 1.866,1260 1.872,1261 0.999,1262 1.872,1263 1.41,1264 1.354,1265 1.63,1266 1.644,1267 0.825,1268 1.643,1269 1.351,1270 1.284,1271 1.569,1272 1.599,1273 0.811,1274 1.586,1275 1.153,1276 1.064,1277 1.513,1278 1.376,1279 0.637,1280 1.429,1281 1.115,1282 1.043,1283 1.363,1284 1.346,1285 0.41,1286 1.371,1287 4.344,1289 5.68,1290 2.398,1291 7.212,1292 4.727,1293 8.832,1294 6.862,1295 10.5,1297 2.02,1298 6.046,1302 10.598,1303 3.305,1305 5.927,1306 5.47,1308 -0.792,1309 2.288,1314 38.874,1315 99.741,1316 248.091,1317 306.639,1318 327.659,1319 327.659,1320 327.659,1321 61.747,1322 8.419,1323 106.27,1324 106.27,1325 29,1326 12.861,1327 4.322,1328 3.585,1329 49.958,1330 151,1331 155,1332 0.157,1333 238.631,1334 416.74,1335 574.02,1336 61174,1337 1.7,1338 23.656,1339 0.696,1340 0.574,1341 24.156,1342 19.524,1343 16.491,1344 0.434,1345 0.305,1346 11.08,1347 15.548,1348 10.823,1349 8.876,1350 16.78,1351 11.597,1352 15.094,1353 0.28,1354 0.163,1355 15.503,1356 8.827,1357 12.868,1358 0.176,1359 0.086,1360 13.13,1361 6.29,1362 11.06,1363 0.113,1364 0.046,1365 11.314,1366 4.492,1367 8.902,1368 0.072,1369 0.025,1370 9.136,1371 3.039,1372 0.247,1373 106.577,1374 0.197,1375 31.454,1376 0.427,1377 184,1378 530.113,1379 216.735,1380 539.493,1381 731.25,1382 506,1383 219,1384 513.957,1385 246.921,1386 529.428,1387 782.01,1388 500,1389 7.3}
{0 CHEMBL2005899,1 1.568,2 7.913,3 0.937,4 0.878,5 87.641,6 7.168,7 0.25,8 3.854,9 3.975,10 3.366,11 3.351,12 5.021,13 3.329,14 4.358,15 4.557,16 3.725,17 3.675,18 5.466,19 3.648,20 4.6,21 4.782,22 3.824,23 3.863,24 5.865,25 3.808,26 4.821,27 5.085,28 3.808,29 3.952,30 5.861,31 3.854,32 4.748,33 4.966,34 3.917,35 3.918,36 6.025,37 3.866,38 4.707,39 4.879,40 3.833,41 3.809,42 6.142,43 3.781,44 4.669,45 4.879,46 3.542,47 3.665,48 5.973,49 3.608,50 4.495,51 4.702,52 3.264,53 3.615,54 5.69,55 3.483,56 0.039,57 0.63,58 9.283,59 3.96,60 10.968,61 5.357,62 0.167,63 0.951,64 16.971,65 5.866,66 27.123,67 8.613,68 0.436,69 1.178,70 21.862,71 7.255,72 64.282,73 10.43,74 0.444,75 1.306,76 29.23,77 9.561,78 57.936,79 14.218,80 0.392,81 1.211,82 26.524,83 9.128,84 79.857,85 12.863,86 0.544,87 1.141,88 25.542,89 7.509,90 108.554,91 10.233,92 0.693,93 1.009,94 26.103,95 6.843,96 114.876,97 9.283,98 0.409,99 0.877,100 20.946,101 7.363,102 77.382,103 9.864,104 71,105 36,106 0.275,107 0.615,108 0.716,109 0.755,110 0.755,111 0.755,112 3.189,113 0.926,114 -2.3,115 -2.33,116 -2.3,119 38.6,120 5,123 1,127 1,138 2,142 2,144 1,145 2,156 2,158 1,172 3,174 1,175 8,183 5,187 2,188 3,191 2,196 3,199 2,200 2,203 1,208 2,212 1,213 7,216 1,218 3,224 2,225 10,230 2,237 1,238 2,241 1,243 3,246 6,249 1,250 3,258 9,264 2,276 747,277 14.353,278 14.353,279 14.353,280 14.353,281 14.353,282 12.908,283 16.136,284 8.125,285 14.543,286 11.766,287 11.766,288 11.766,289 11.766,290 11.766,291 9.535,292 23.584,293 3.791,294 12.081,295 3.892,296 1.955,297 1.376,298 1.154,299 1.154,300 1.154,301 3.832,305 1,306 1,307 364,308 4.301,310 64.01,312 82.66,319 1.149,320 32.851,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 50.5,332 182,333 4.74,334 3.916,335 7.205,336 4.401,337 3.428,338 4.246,339 1.94,340 12.613,341 3.338,342 4.289,343 3.628,344 7.044,345 4.251,346 3.262,347 3.559,348 0.6,349 11.342,350 3.226,351 4.084,352 3.319,353 6.346,354 3.762,355 2.787,356 3.295,357 0.555,358 9.419,359 2.704,360 3.522,361 2.787,362 5.068,363 3.081,364 2.084,365 2.808,367 5.595,368 2.071,369 3.165,370 2.404,371 4.991,372 2.686,373 1.746,374 2.23,376 5.202,377 1.636,378 2.938,379 2.158,380 4.701,381 2.475,382 1.465,383 2.016,385 4,386 1.469,387 2.798,388 1.691,389 4.258,390 2.257,391 1.278,392 1.792,394 3.25,395 1.237,396 2.5,397 1.374,398 3.668,399 2.107,400 1.155,401 1.5,403 2.974,404 1.093,405 2.233,406 1.05,407 3.247,408 1.984,409 1,410 1.207,412 2.136,413 0.983,414 1.791,415 1,416 3.22,417 1.332,418 0.336,419 0.443,421 0.848,422 0.329,423 1.036,424 0.423,425 2.852,426 0.653,427 -0.291,428 -0.351,430 -0.756,431 -0.271,432 0.586,433 0.023,434 2.273,435 0.155,436 -0.828,437 -0.976,439 -1.966,440 -0.804,441 0.5,442 -0.365,443 2,444 0.1,445 -1,446 -1,448 -2,449 -0.946,450 0.427,451 -0.766,452 2,454 -1,455 -1,457 -2.347,458 -0.958,459 0.338,460 -0.807,461 2,463 -1,464 -1.193,466 -2.582,467 -1,468 10.7,469 0.465,470 0.944,471 0.041,472 27,473 1.174,474 12.5,475 0.543,476 14.5,477 0.63,478 22.071,479 0.96,480 25.9,481 0.589,482 20.664,483 0.898,484 5.134,485 0.223,486 5.508,487 0.239,488 0.327,489 0.047,490 0.364,496 0.732,497 1.486,498 0.828,499 1.227,500 0.693,501 1.074,502 0.646,503 1.227,504 0.638,505 0.947,506 0.563,507 0.805,508 0.848,509 1.218,510 1.089,511 1.162,512 0.781,513 1.158,514 0.641,515 0.78,516 0.771,517 0.833,518 0.626,519 0.816,520 0.838,521 1.052,522 0.735,523 1.011,524 0.907,525 0.881,526 1.661,527 1.276,528 1.275,529 1.226,530 1.622,531 1.188,532 2.107,533 0.743,534 1.451,535 0.836,536 2.142,537 0.995,538 1.4,539 1.031,540 1.369,541 1.201,542 1.475,543 1.295,544 6,545 0.037,546 3.333,547 2.625,548 1.964,549 1.417,550 0.853,551 0.493,552 0.173,553 0.09,554 4398,555 12477,556 1.865,557 47.7,558 9,559 3,561 2,562 1,563 3,564 3,567 1.667,568 1.653,569 2.976,570 -0.284,572 1,574 1,577 68.98,578 1.568,579 3.505,580 4.084,581 4.305,582 4.305,583 4.305,584 2.442,585 3.969,586 4.497,587 3.127,588 791.186,589 7.791,590 8912.34,592 1,595 240.215,596 1.762,597 4.376,598 0.25,599 0.012,600 0.098,601 0.075,602 0.056,603 0.036,604 0.026,605 0.021,606 0.01,607 0.011,608 0.595,609 0.33,610 1,611 1.426,612 105.358,613 -0.051,614 -0.233,615 0.023,616 -0.07,617 -0.093,618 -0.024,619 0.089,620 -0.1,621 0.282,622 0.09,623 0.075,624 0.202,625 0.088,626 -0.065,627 -0.153,628 -0.153,629 0.07,630 -0.192,631 0.104,632 0.199,633 0.188,634 0.141,635 0.05,636 0.18,637 0.149,638 -0.076,639 0.235,640 0.009,641 0.149,642 0.121,643 -0.144,644 -0.243,645 -0.25,646 -0.263,647 -0.037,648 -0.274,649 -0.406,650 0.218,651 -0.374,652 0.056,653 -0.333,654 -0.121,655 -0.213,656 -0.098,657 -0.39,658 -0.174,659 -0.199,660 -0.305,661 2.198,662 5.053,663 0.435,664 16.284,665 1.005,666 1.133,667 1.065,668 1.135,669 0.642,670 3.219,671 3.611,672 3.85,673 4.025,674 4.234,675 4.29,676 4.263,677 4.111,678 3.892,679 3.761,680 5.059,681 0.612,682 315.41,683 3.219,684 4.796,685 5.652,686 6.567,687 7.46,688 8.38,689 9.287,690 10.21,691 11.124,692 12.05,693 6.8,700 1,702 1,703 1,709 4,710 1,714 1,716 6,735 44,737 10,739 24,741 45,742 17,743 5,746 4,748 2,749 2,754 5,755 1,760 1,762 10,763 7,767 4,772 2,775 1,776 5,779 1,780 1,783 21,784 6,785 1,786 6,792 3,797 1,798 3,809 1,814 1,816 1,826 1,827 1,830 1,834 2,841 1,843 2,847 5,851 23,857 1,863 1,864 1,865 1,874 6.8,876 1,877 2,881 13.917,882 9.55,883 4.944,884 2.589,886 1.748,887 1.273,888 0.88,889 4.601,890 8.153,891 3.466,892 4.034,893 4.53,894 4.998,895 5.43,896 5.593,897 5.796,898 5.966,899 5.983,900 6.075,901 1,902 35,903 8.55,905 3.653,906 8.047,907 15.798,909 12.636,911 2.547,912 58.583,916 235.422,917 99.282,918 36.695,920 92.973,923 99.282,924 328.395,925 36.695,926 44.126,927 3.124,928 18.952,929 148.653,930 37.637,932 211.88,934 235.422,935 135.977,936 92.973,939 200.109,940 128.287,943 82.131,944 34.304,945 19.542,947 235.422,948 129.669,949 99.282,952 235.422,953 18.108,954 84.298,956 126.544,957 235.422,958 129.669,959 99.282,961 0.606,962 0.348,963 0.167,964 0.097,965 17,966 10,967 0.089,968 4,970 1,971 3.231,972 181.323,974 10,975 95.287,981 17.202,982 6.152,983 3.287,985 129.669,986 6.348,987 3.91,991 0.526,993 42.683,994 464.372,995 31,1000 24.057,1003 4.435,1004 -0.989,1007 44.24,1008 49.86,1009 0.287,1010 0.642,1011 0.748,1012 0.789,1013 0.789,1014 0.789,1015 4.758,1016 1.155,1017 5.733,1018 3.25,1019 4.29,1020 4.718,1021 2.129,1022 6.658,1023 4.241,1024 6.014,1025 1,1026 7.387,1027 2.974,1028 4.29,1029 4.705,1030 1.668,1031 7.974,1032 4.241,1033 7.371,1034 0.336,1035 9.154,1036 2.136,1037 6.071,1038 6.872,1039 2.981,1040 11.069,1041 5.976,1042 8.764,1043 -0.291,1044 10.984,1045 0.848,1046 6.836,1047 7.614,1048 3.13,1049 13.136,1050 6.739,1051 10.19,1052 -0.828,1053 12.854,1054 -0.756,1055 8.217,1056 9.349,1057 4.133,1058 15.833,1059 8.084,1060 11.639,1061 -1,1062 14.748,1063 -1.966,1064 9.261,1065 10.431,1066 4.539,1067 18.164,1068 9.117,1069 13.106,1070 -1,1071 16.659,1072 -2,1073 10.519,1074 11.995,1075 5.382,1076 20.734,1077 10.347,1078 3.428,1079 -1,1080 18.583,1081 -2.347,1082 11.664,1083 13.246,1084 5.912,1085 23.168,1086 11.476,1087 3.262,1088 12.613,1089 20.515,1090 -2.582,1091 12.885,1092 14.736,1093 6.67,1094 25.696,1095 12.672,1096 2.787,1097 11.342,1098 22.454,1099 4.246,1100 14.069,1101 16.075,1102 7.263,1103 28.175,1104 13.836,1105 2.084,1106 9.419,1107 24.398,1108 3.559,1109 15.28,1110 17.532,1111 7.976,1112 30.691,1113 15.024,1114 1.746,1115 5.595,1116 26.345,1117 3.295,1118 16.48,1119 18.918,1120 8.602,1121 33.19,1122 16.202,1123 1.465,1124 5.202,1125 28.296,1126 2.808,1127 17.69,1128 20.363,1129 9.292,1130 35.705,1131 17.39,1132 1.278,1133 4,1134 30.248,1135 2.23,1136 18.897,1137 21.774,1138 9.936,1139 38.215,1140 18.575,1141 4646,1142 7987,1143 14.334,1144 28.233,1145 38.285,1146 39.392,1147 39.494,1148 37.089,1149 37.081,1150 46.192,1151 6.192,1152 114.758,1153 36.169,1154 5.653,1155 5.916,1156 7.007,1157 5.436,1158 5.428,1159 7.246,1160 3.348,1161 20.613,1162 5.338,1163 16.366,1164 1.595,1165 1.641,1166 1.646,1167 1.545,1168 1.545,1169 1.925,1170 0.258,1171 4.782,1172 1.507,1173 4.006,1174 4.035,1175 3.981,1176 3.872,1177 7.433,1178 3.894,1179 3.827,1180 3.875,1181 3.76,1182 3.709,1183 7.426,1184 3.713,1185 3.722,1186 3.757,1187 3.617,1188 3.607,1189 6.46,1190 3.607,1191 3.466,1192 3.508,1193 3.374,1194 3.24,1195 4.903,1196 3.261,1197 3.228,1198 3.323,1199 3,1200 3.029,1201 4.615,1202 3.005,1203 2.874,1204 3.009,1205 2.702,1206 2.735,1207 4.242,1208 2.715,1209 2.874,1210 3.009,1211 2.687,1212 2.618,1213 3.975,1214 2.579,1215 2.854,1216 2.925,1217 2.518,1218 2.618,1219 3.732,1220 2.57,1221 0.197,1222 0.163,1223 0.3,1224 0.183,1225 0.143,1226 4.74,1227 0.177,1228 3.916,1229 0.081,1230 7.205,1231 0.526,1232 4.401,1233 0.139,1234 3.428,1235 4.246,1236 1.94,1237 12.613,1238 3.338,1239 1.913,1240 1.887,1241 2.047,1242 2.066,1243 1.304,1244 2.048,1245 1.811,1246 1.764,1247 1.956,1248 1.959,1249 1.043,1250 1.971,1251 1.688,1252 1.66,1253 1.782,1254 1.838,1255 0.849,1256 1.826,1257 1.397,1258 1.346,1259 1.671,1260 1.647,1261 0.731,1262 1.648,1263 1.252,1264 1.159,1265 1.606,1266 1.497,1267 0.68,1268 1.541,1269 0.934,1270 0.821,1271 1.417,1272 1.239,1273 0.469,1274 1.308,1275 0.934,1276 0.804,1277 1.417,1278 1.239,1279 0.469,1280 1.308,1281 0.886,1282 0.804,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 3.892,1289 5.303,1291 6.917,1293 8.613,1295 10.355,1297 9.311,1302 9.983,1308 -0.143,1309 1.284,1310 -0.138,1314 26.95,1315 68.98,1316 154.215,1317 179.686,1318 189.421,1319 189.421,1320 189.421,1321 68.131,1322 6.405,1323 82.86,1324 82.86,1325 10,1326 12.557,1327 3.459,1328 3,1329 44.795,1330 67,1331 65,1332 0.33,1333 170.933,1334 307.93,1335 408.837,1336 3764,1338 17.361,1339 0.755,1340 0.608,1341 17.361,1342 13.992,1343 10.642,1344 0.443,1345 0.309,1346 7.312,1347 10.208,1348 6.902,1349 5.853,1350 10.642,1351 7.411,1352 10.682,1353 0.297,1354 0.183,1355 10.682,1356 6.606,1357 8.119,1358 0.176,1359 0.085,1360 8.119,1361 3.914,1362 5.816,1363 0.106,1364 0.036,1365 5.816,1366 1.995,1367 4.752,1368 0.07,1369 0.019,1370 4.752,1371 1.318,1372 0.494,1373 66.991,1374 0.264,1375 21.966,1376 0.984,1377 120,1378 376.556,1379 132.944,1380 362.133,1381 482.8,1382 334,1383 142,1384 349.106,1385 155.888,1386 354.073,1387 518.23,1388 330,1389 5.1}
{0 CHEMBL2005936,1 1.486,2 12.152,3 5.502,4 30.268,5 130.225,6 7.659,7 0.73,8 4.149,9 4.276,10 3.752,11 3.734,12 5.282,13 3.712,14 4.645,15 4.809,16 4.094,17 4.119,18 5.716,19 4.075,20 4.879,21 5.089,22 4.123,23 4.201,24 5.9,25 4.137,26 4.922,27 5.147,28 4.157,29 4.177,30 5.979,31 4.128,32 4.892,33 5.098,34 4.195,35 4.197,36 6.019,37 4.166,38 4.909,39 5.113,40 4.188,41 4.274,42 5.97,43 4.214,44 4.954,45 5.167,46 4.146,47 4.303,48 5.981,49 4.216,50 4.945,51 5.169,52 4.018,53 4.261,54 5.928,55 4.147,56 0.102,57 0.884,58 10.842,59 4.872,60 10.032,61 6.345,62 0.162,63 1.392,64 19.393,65 8.133,66 17.92,67 10.983,68 0.219,69 1.663,70 27.344,71 10.216,72 36.107,73 14.03,74 0.32,75 1.755,76 29.429,77 9.573,78 43.137,79 13.451,80 0.384,81 1.731,82 27.91,83 8.726,84 50.859,85 11.856,86 0.304,87 1.77,88 27.521,89 10.064,90 36.445,91 13.778,92 0.349,93 1.803,94 29.259,95 11.54,96 37.645,97 15.821,98 0.223,99 1.71,100 29.587,101 11.976,102 39.656,103 16.688,104 9,105 51,106 0.238,107 0.573,108 0.707,109 0.814,110 0.854,111 0.86,112 3.532,113 0.895,114 -5.65,115 -5.52,116 -5.14,119 45.6,120 1,121 2,125 1,142 13,143 4,146 2,152 1,153 1,158 1,166 2,168 1,172 18,174 1,175 6,178 1,179 1,180 3,183 17,188 14,191 1,193 4,196 9,200 20,203 1,205 6,208 6,212 1,213 16,218 2,221 15,224 1,225 8,228 2,230 1,233 25,237 2,238 4,241 4,243 2,246 28,249 1,250 3,255 4,258 22,263 2,264 7,269 6,272 12,276 2038,277 23.007,278 23.007,279 23.007,280 23.007,281 23.007,282 19.725,283 16.433,284 13.925,285 23.195,286 18.306,287 18.306,288 18.306,289 18.306,290 18.306,291 13.397,292 24.041,293 6.596,294 18.608,295 4.347,296 2.259,297 1.423,298 0.755,299 0.504,300 0.469,301 4.243,306 1,307 879,308 3.391,311 166.379,312 291.018,315 135.952,319 1.75,320 21.576,323 0.75,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.84,331 70,332 401,333 4.637,334 3.598,335 6.914,336 4.232,337 3.258,338 4.537,339 1.907,340 11.65,341 3.173,342 4.495,343 3.291,344 6.55,345 4.038,346 3.067,347 4.262,348 0.522,349 10.379,350 2.977,351 3.918,352 3.067,353 5.854,354 3.549,355 2.561,356 3.456,357 0.149,358 8.075,359 2.53,360 3.84,361 2.746,362 5.468,363 3.458,364 2.464,365 3.355,367 7.238,368 2.444,369 3.681,370 2.45,371 5.286,372 3.336,373 2.333,374 3.041,376 6.62,377 2.332,378 3.541,379 2.166,380 5.074,381 3.091,382 2.109,383 2.876,385 5.957,386 2.066,387 3.255,388 1.993,389 4.817,390 2.802,391 1.831,392 2.529,394 5.242,395 1.771,396 2.977,397 1.612,398 4.465,399 2.543,400 1.552,401 2.167,403 4.122,404 1.538,405 2.882,406 1.442,407 4.092,408 2.415,409 1.422,410 2.051,412 3.344,413 1.412,414 2.781,415 1.354,416 3.875,417 2.296,418 1.32,419 1.905,421 3.122,422 1.285,423 2.608,424 1.351,425 3.585,426 2.142,427 1.166,428 1.654,430 2.963,431 1.136,432 2.5,433 1.198,434 3.437,435 2.006,436 1.007,437 1.5,439 2.136,440 1.002,441 2.5,442 1,443 3.285,444 2,445 1,446 1.5,448 2.136,449 1,450 2.297,451 1,452 3.247,453 2,454 1,455 1.2,457 2.047,458 1,459 2.168,460 0.834,461 3.247,462 1.791,463 0.806,464 1.106,466 1.838,467 0.793,468 15.733,469 0.477,470 0.619,471 0.019,472 46.5,473 1.409,474 26,475 0.788,476 20.5,477 0.621,478 25.895,479 0.785,480 33.467,481 0.587,482 36.594,483 1.109,484 9.236,485 0.28,486 6.988,487 0.212,488 0.053,490 0.311,496 0.612,497 0.989,498 0.749,499 0.926,500 0.568,501 0.867,502 0.646,503 1.166,504 0.834,505 1.054,506 0.609,507 0.982,508 1.055,509 1.157,510 0.926,511 1.017,512 1.09,513 0.969,514 1.274,515 1.164,516 0.938,517 0.909,518 1.045,519 0.878,520 1.638,521 1.041,522 1.024,523 0.795,524 1.444,525 0.817,526 1.041,527 0.97,528 1.002,529 0.933,530 0.846,531 0.949,532 0.748,533 0.863,534 1.006,535 1.01,536 0.771,537 1.035,538 0.692,539 1.066,540 1.031,541 1.14,542 0.708,543 1.133,544 5,545 0.151,546 3.111,547 2.104,548 1.571,549 1.022,550 0.685,551 0.539,552 0.286,553 0.309,554 15113,555 37412,556 2.168,557 42.1,558 5,559 15,562 2,563 2,567 1.758,568 2.084,569 3.54,570 0.162,577 84.714,578 1.486,579 3.574,580 4.41,581 5.078,582 5.328,583 5.364,584 3.037,585 4.681,586 5.011,587 3.685,588 1945.56,589 8.814,590 28469.8,595 332.475,596 1.182,597 4.999,598 0.135,599 0.005,600 0.061,601 0.041,602 0.03,603 0.019,604 0.012,605 0.01,606 0.006,607 0.008,608 0.329,609 0.17,610 0.75,611 1.009,612 173.368,613 0.167,614 0.145,615 0.061,616 0.043,617 0.008,618 0.035,619 0.161,620 -0.094,621 0.034,622 -0.077,623 0.04,624 -0.047,625 -0.039,626 -0.147,627 0.03,628 -0.042,629 -0.077,630 -0.009,631 -0.069,632 -0.112,633 0.055,634 0.019,635 0.008,636 0.049,637 -0.224,638 0.056,639 -0.044,640 0.111,641 -0.085,642 0.069,643 -0.066,644 0.097,645 -0.068,646 0.017,647 -0.039,648 -0.017,649 0.095,650 0.153,651 -0.069,652 -0.026,653 -0.019,654 -0.064,655 0.03,656 -0.111,657 -0.085,658 -0.124,659 0.011,660 -0.121,661 1.702,662 5.14,663 0.788,664 35.796,665 0.998,666 1.122,667 4.417,668 19.506,669 0.69,670 3.638,671 3.951,672 4.263,673 4.585,674 4.812,675 4.949,676 5.17,677 5.366,678 5.493,679 5.617,680 6.988,681 0.659,682 436.56,683 3.638,684 5.176,685 6.038,686 6.925,687 7.809,688 8.708,689 9.605,690 10.511,691 11.414,692 12.324,693 10.5,700 1,701 2,703 3,708 2,709 13,710 3,711 1,714 6,715 1,716 27,735 57,737 28,738 3,739 37,741 61,742 26,743 21,744 5,745 13,748 5,749 6,754 1,760 2,762 22,763 4,767 1,772 1,776 1,783 24,784 5,785 2,786 7,792 6,797 0.8,798 1,807 1,815 2,816 3,819 1,829 1,843 4,847 1,851 33,858 3,860 1,871 1,874 1.8,877 1,881 15.833,882 10.55,883 7.333,884 3.588,886 4.255,887 1.517,888 1.03,889 6.01,890 12.489,891 3.961,892 4.59,893 5.228,894 5.885,895 6.419,896 6.805,897 7.351,898 7.871,899 8.273,900 8.707,901 1,902 51,903 12.157,905 5.171,906 7.636,907 23.402,909 19.279,911 2.136,912 70.5,916 258.964,917 166.011,918 86.317,920 25.145,923 166.011,924 284.109,925 86.317,926 8.825,927 25.186,928 123.191,929 79.716,930 37.798,931 2.757,932 258.964,934 258.964,935 252.328,936 25.145,939 258.964,940 25.145,943 59.679,944 142.782,945 49.867,947 258.964,948 111.462,949 166.011,952 258.964,953 33.995,954 133.793,955 34.674,956 75.011,957 258.964,958 111.462,959 166.011,961 0.569,962 0.334,963 0.194,964 0.105,965 25,966 10,967 0.115,968 7,969 1,970 1.077,971 4.392,972 319.186,973 0.077,974 26,975 158.465,981 21.111,982 9.394,983 4.434,984 1.622,985 93.022,986 26.301,987 13.393,988 2.943,991 5.427,992 1.934,993 34.674,994 536.437,995 51.5,1000 12.14,1004 -0.035,1007 56.891,1008 63.936,1009 0.255,1010 0.613,1011 0.756,1012 0.871,1013 0.914,1014 0.92,1015 5.175,1016 1.552,1017 6.004,1018 5.242,1019 4.635,1020 5.278,1021 2.027,1022 6.825,1023 4.599,1024 6.384,1025 1.422,1026 7.557,1027 4.122,1028 4.111,1029 4.997,1030 1.593,1031 7.745,1032 4.05,1033 7.689,1034 1.32,1035 9.217,1036 3.344,1037 6.221,1038 7.52,1039 2.912,1040 10.902,1041 6.141,1042 9.037,1043 1.166,1044 10.943,1045 3.122,1046 6.594,1047 8.151,1048 3.032,1049 12.73,1050 6.48,1051 10.42,1052 1.007,1053 12.714,1054 2.963,1055 8.12,1056 10.078,1057 4.038,1058 15.389,1059 7.988,1060 11.831,1061 1,1062 14.516,1063 2.136,1064 8.914,1065 11.15,1066 4.409,1067 17.579,1068 8.744,1069 13.263,1070 1,1071 16.343,1072 2.136,1073 10.207,1074 12.826,1075 5.251,1076 20.082,1077 10.016,1078 3.258,1079 0.806,1080 18.187,1081 2.047,1082 11.199,1083 14.117,1084 5.75,1085 22.418,1086 10.971,1087 3.067,1088 11.65,1089 20.046,1090 1.838,1091 12.401,1092 15.685,1093 6.501,1094 24.871,1095 12.15,1096 2.561,1097 10.379,1098 21.915,1099 4.537,1100 13.485,1101 17.082,1102 7.068,1103 27.266,1104 13.199,1105 2.464,1106 8.075,1107 23.794,1108 4.262,1109 14.656,1110 18.604,1111 7.771,1112 29.706,1113 14.343,1114 2.333,1115 7.238,1116 25.679,1117 3.456,1118 15.782,1119 20.052,1120 8.374,1121 32.126,1122 15.437,1123 2.109,1124 6.62,1125 27.571,1126 3.355,1127 16.944,1128 21.557,1129 9.051,1130 34.563,1131 16.572,1132 1.831,1133 5.957,1134 29.468,1135 3.041,1136 18.089,1137 23.03,1138 9.674,1139 36.995,1140 17.687,1141 14205,1142 22524,1143 25.542,1144 39.341,1145 55.763,1146 56.055,1147 56.562,1148 55.115,1149 55.124,1150 76.138,1151 5.155,1152 156.699,1153 54.228,1154 5.485,1155 5.598,1156 6.716,1157 5.263,1158 5.258,1159 7.537,1160 3.306,1161 18.916,1162 5.173,1163 11.284,1164 1.507,1165 1.515,1166 1.529,1167 1.49,1168 1.49,1169 2.058,1170 0.139,1171 4.235,1172 1.466,1173 4.144,1174 4.185,1175 4.116,1176 4.038,1177 7.429,1178 4.05,1179 3.991,1180 4.038,1181 3.952,1182 3.886,1183 5.136,1184 3.891,1185 3.873,1186 3.903,1187 3.801,1188 3.819,1189 5.024,1190 3.811,1191 3.718,1192 3.771,1193 3.649,1194 3.548,1195 4.737,1196 3.563,1197 3.659,1198 3.719,1199 3.555,1200 3.484,1201 4.707,1202 3.496,1203 3.379,1204 3.453,1205 3.276,1206 3.178,1207 4.326,1208 3.195,1209 3.189,1210 3.257,1211 3.049,1212 2.972,1213 4.107,1214 2.976,1215 3.042,1216 3.109,1217 2.909,1218 2.882,1219 3.898,1220 2.884,1221 0.125,1222 0.097,1223 0.187,1224 0.114,1225 0.088,1226 4.637,1227 0.123,1228 3.598,1229 0.052,1230 6.914,1231 0.315,1232 4.232,1233 0.086,1234 3.258,1235 4.537,1236 1.907,1237 11.65,1238 3.173,1239 1.975,1240 1.953,1241 2.064,1242 2.053,1243 1.218,1244 2.057,1245 1.913,1246 1.885,1247 2.024,1248 2,1249 1.178,1250 2.007,1251 1.873,1252 1.846,1253 1.984,1254 1.95,1255 1.146,1256 1.965,1257 1.679,1258 1.621,1259 1.931,1260 1.885,1261 1.072,1262 1.893,1263 1.419,1264 1.365,1265 1.575,1266 1.711,1267 0.741,1268 1.68,1269 1.394,1270 1.315,1271 1.56,1272 1.648,1273 0.595,1274 1.623,1275 1.212,1276 1.154,1277 1.382,1278 1.448,1279 0.484,1280 1.42,1281 1.079,1282 1.012,1283 1.302,1284 1.349,1285 0.429,1286 1.333,1287 4.317,1289 5.631,1290 3.045,1291 7.141,1292 5.416,1293 8.742,1294 7.526,1295 10.395,1297 1.979,1303 1.866,1305 2.93,1314 37.584,1315 84.714,1316 203.734,1317 251.349,1318 289.455,1319 303.72,1320 305.72,1321 48.825,1322 8.234,1323 88.49,1324 88.49,1325 28,1326 12.841,1327 4.858,1328 3.954,1329 47.539,1330 134,1331 168,1332 0.169,1333 229.91,1334 382.53,1335 552.741,1336 43401,1338 22.623,1339 0.686,1340 0.555,1341 22.623,1342 18.324,1343 16.225,1344 0.439,1345 0.298,1346 10.925,1347 15.745,1348 10.679,1349 8.918,1350 16.225,1351 11.038,1352 14.181,1353 0.278,1354 0.155,1355 14.181,1356 7.925,1357 12.159,1358 0.174,1359 0.079,1360 12.159,1361 5.526,1362 10.76,1363 0.111,1364 0.041,1365 10.76,1366 3.938,1367 8.582,1368 0.07,1369 0.021,1370 8.582,1371 2.604,1372 0.262,1373 100.725,1374 0.198,1375 30.373,1376 0.476,1377 176,1378 472.982,1379 189.677,1380 470.691,1381 662.26,1382 442,1383 209,1384 513.153,1385 224.483,1386 519.874,1387 758.31,1388 491,1389 5.1}
{0 CHEMBL2006010,1 2.064,2 10.385,3 4.797,4 23.014,5 89.78,6 11.463,7 0.607,8 3.72,9 3.808,10 3.614,11 3.297,12 5.068,13 3.337,14 4.221,15 4.325,16 4.11,17 3.661,18 6.102,19 3.696,20 4.409,21 4.553,22 4.256,23 3.775,24 5.952,25 3.786,26 4.383,27 4.537,28 4.068,29 3.657,30 5.906,31 3.679,32 4.341,33 4.506,34 3.948,35 3.517,36 5.922,37 3.549,38 4.233,39 4.408,40 3.729,41 3.355,42 5.754,43 3.38,44 4.036,45 4.177,46 3.769,47 3.251,48 6.001,49 3.285,50 3.893,51 4.046,52 3.578,53 3.262,54 5.37,55 3.26,56 0.316,57 0.742,58 1.038,59 2.604,60 41.209,61 2.011,62 0.938,63 1.459,64 2.865,65 4.611,66 139.243,67 3.671,68 0.857,69 1.204,70 12.983,71 5.62,72 88.911,73 4.711,74 0.907,75 1.171,76 11.145,77 5.976,78 108.204,79 5.177,80 0.968,81 1.064,82 12.133,83 5.541,84 105.133,85 4.523,86 0.999,87 0.862,88 16.053,89 5.559,90 142.044,91 4.663,92 0.9,93 0.745,94 10.767,95 3.973,96 133.527,97 3.367,98 0.587,99 0.752,100 7.95,101 3.871,102 77.693,103 3.493,104 38,105 41,106 0.373,107 0.669,108 0.791,109 0.891,110 0.901,111 0.901,112 3.304,113 0.842,114 -4.72,115 -4.63,116 -4.35,119 45.7,132 1,142 6,143 1,144 3,145 1,146 2,147 1,159 1,172 4,175 4,178 3,179 1,180 3,183 4,188 3,193 2,196 5,199 1,200 5,203 2,205 5,208 3,213 2,218 3,221 1,224 1,225 4,228 1,230 3,233 3,238 2,243 1,246 3,249 1,250 3,255 1,258 4,264 2,272 3,276 940,277 16.764,278 16.764,279 16.764,280 16.764,281 16.764,282 14.54,283 18.345,284 9.604,285 17.436,286 13.797,287 13.797,288 13.797,289 13.797,290 13.797,291 10.465,292 25.308,293 4.536,294 15.117,295 3.065,296 1.426,297 0.75,298 0.193,299 0.136,300 0.136,301 3.979,302 2,305 1,306 1,307 569,308 3.808,312 222.989,316 115.997,319 1.538,320 48.874,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 60.167,332 270,333 4.62,334 4.46,335 7.116,336 4.168,337 3.32,338 4.576,339 3.825,340 11.69,341 3.017,342 4.453,343 3.575,344 6.746,345 4.123,346 3.174,347 3.869,348 1.656,349 10.945,350 2.835,351 3.971,352 3.436,353 5.954,354 3.584,355 2.659,356 3.443,357 0.247,358 8.232,359 2.436,360 3.83,361 2.833,362 5.506,363 3.4,364 2.49,365 3.14,367 7.421,368 2.205,369 3.479,370 2.579,371 5.115,372 3.033,373 2.088,374 2.734,376 5.955,377 1.925,378 3.259,379 2.267,380 4.791,381 2.743,382 1.814,383 2.559,385 5.144,386 1.644,387 2.994,388 1.845,389 4.46,390 2.506,391 1.552,392 2.211,394 4.3,395 1.452,396 2.872,397 1.727,398 4.24,399 2.413,400 1.461,401 1.991,403 3.811,404 1.364,405 2.573,406 1.489,407 3.646,408 2.069,409 1.146,410 1.603,412 2.673,413 1.045,414 2.563,415 1.189,416 3.488,417 2.048,418 1.107,419 1.58,421 2.53,422 1.006,423 1.563,424 0.901,425 3.002,426 1.076,427 0.289,428 0.348,430 0.669,431 0.182,432 1.286,433 0.614,434 2.795,435 0.89,436 0.031,437 0.037,439 0.082,440 0.026,441 1.176,442 0.51,443 2.727,444 0.726,445 -0.25,446 -0.335,448 -0.623,449 -0.233,450 0.932,451 0.51,452 2.526,453 0.416,454 -0.516,455 -0.72,457 -1.296,458 -0.428,459 0.672,460 0.297,461 2.362,462 0.212,463 -0.74,464 -0.972,466 -1.965,467 -0.697,468 12.219,469 0.47,470 0.919,471 0.035,472 36,473 1.385,474 18.5,475 0.712,476 17.5,477 0.673,478 18.758,479 0.721,480 27.981,481 0.799,482 28.884,483 1.111,484 7.359,485 0.283,486 4.894,487 0.188,488 0.214,489 0.041,490 0.327,493 3,496 0.648,497 0.962,498 0.483,499 0.773,500 0.625,501 0.707,502 0.441,503 0.763,504 0.564,505 0.805,506 0.419,507 0.883,508 0.698,509 0.753,510 0.779,511 0.815,512 0.623,513 0.902,514 0.961,515 1.005,516 0.98,517 1.046,518 0.893,519 1.092,520 1.06,521 0.862,522 1.02,523 0.988,524 1.089,525 1.089,526 1.31,527 0.879,528 1.209,529 0.944,530 1.386,531 1.044,532 0.571,533 0.568,534 0.937,535 0.825,536 0.622,537 0.924,538 0.829,539 0.849,540 0.901,541 0.945,542 0.836,543 1.016,544 7,545 0.202,546 3.556,547 2.313,548 1.698,549 0.938,550 0.648,551 0.266,552 0.246,553 0.257,554 7688,555 37675,556 1.983,557 25.7,559 6,561 1,562 2,567 1.689,568 1.803,569 3.351,570 0.403,577 72.241,578 2.064,579 3.703,580 4.379,581 4.936,582 4.993,583 4.993,584 2.749,585 4.027,586 4.678,587 3.527,588 1146.3,589 8.092,590 14428.1,592 1,595 179.525,596 1.717,597 4.592,598 0.25,599 0.01,600 0.087,601 0.055,602 0.046,603 0.029,604 0.025,605 0.01,606 0.011,607 0.011,608 0.534,609 0.33,610 1,611 0.85,612 127.536,613 -0.083,614 -0.094,615 -0.015,616 0.003,617 -0.105,618 0.033,619 0.38,620 0.264,621 0.042,622 0.041,623 0.39,624 -0.11,625 0.006,626 0.01,627 0.116,628 0.068,629 0.023,630 0.032,631 -0.129,632 -0.15,633 -0.076,634 -0.121,635 -0.083,636 -0.11,637 -0.139,638 -0.012,639 -0.107,640 -0.053,641 -0.141,642 -0.09,643 -0.29,644 -0.031,645 -0.18,646 0.056,647 -0.296,648 0.043,649 0.392,650 0.261,651 0.01,652 0.116,653 0.403,654 0.041,655 -0.018,656 0.049,657 -0.024,658 0.007,659 -0.066,660 0.01,661 5.856,662 5.115,663 0.615,664 20.32,665 1.067,666 1.148,667 3.486,668 12.155,669 0.738,670 3.367,671 3.738,672 3.951,673 4.174,674 4.394,675 4.394,676 4.477,677 4.443,678 4.511,679 4.466,680 6.344,681 0.75,682 401.19,683 3.367,684 4.934,685 5.778,686 6.671,687 7.533,688 8.424,689 9.294,690 10.183,691 11.057,692 11.945,693 11.4,700 2,703 2,708 2,709 7,710 2,714 5,716 17,734 2,735 35,737 18,738 1,739 28,741 37,742 16,743 14,744 4,745 2,748 3,749 4,750 2,753 1,754 1,759 1,762 15,763 1,767 1,772 1,776 1,781 3,783 9,784 8,785 2,786 10,787 2,792 4,797 0.667,798 1,809 2,816 3,820 1,843 2,848 2,849 3,851 26,860 2,865 1,873 5,874 2.9,877 1,881 14.417,882 6.364,883 5.528,884 1.861,886 3.374,887 1.469,888 1.005,889 5.122,890 10.565,891 3.651,892 4.304,893 4.879,894 5.478,895 6.047,896 6.276,897 6.608,898 6.868,899 7.166,900 7.108,901 0.857,902 42,903 10.078,905 4.889,906 8.531,907 16.886,909 13.546,911 3.031,912 78.806,916 82.398,917 97.5,918 69.593,919 78.297,920 25.145,921 44.88,923 97.5,924 185.84,925 114.473,927 36.022,928 56.857,929 70.487,930 71.16,931 6.604,932 70.627,933 86.057,934 82.398,935 167.093,936 70.025,937 78.297,939 82.398,940 70.025,943 57.729,944 75.792,945 111.868,947 127.278,948 94.737,949 175.797,952 90.157,953 23.836,954 65.905,955 36.022,956 181.894,957 82.398,958 139.618,959 175.797,961 0.6,962 0.339,963 0.172,964 0.096,965 20,966 10,967 0.054,968 2,969 1,970 1.125,971 3.667,972 215.644,973 0.125,974 16,975 117.457,981 18.554,982 7.177,983 4.137,984 0.906,985 139.618,986 9.31,987 7.473,991 -0.449,993 36.022,994 397.813,995 37.5,1000 12.115,1004 -0.768,1007 37.338,1008 40.186,1009 0.402,1010 0.722,1011 0.854,1012 0.962,1013 0.974,1014 0.974,1015 4.907,1016 1.461,1017 5.826,1018 4.3,1019 4.419,1020 4.99,1021 3.244,1022 6.688,1023 4.242,1024 6.164,1025 1.146,1026 7.433,1027 3.811,1028 4.29,1029 4.977,1030 3.949,1031 7.879,1032 3.903,1033 7.507,1034 1.107,1035 9.15,1036 2.673,1037 6.12,1038 7.265,1039 5.464,1040 10.893,1041 5.765,1042 8.885,1043 0.289,1044 10.933,1045 2.53,1046 6.746,1047 8.011,1048 6.701,1049 12.856,1050 6.171,1051 10.291,1052 0.031,1053 12.756,1054 0.669,1055 8.144,1056 9.847,1057 8.065,1058 15.474,1059 7.577,1060 11.717,1061 -0.25,1062 14.608,1063 0.082,1064 9.088,1065 10.969,1066 9.391,1067 17.727,1068 8.335,1069 13.161,1070 -0.516,1071 16.48,1072 -0.623,1073 10.336,1074 12.614,1075 10.736,1076 20.223,1077 9.55,1078 3.32,1079 -0.74,1080 18.368,1081 -1.296,1082 11.415,1083 13.929,1084 12.075,1085 22.588,1086 10.478,1087 3.174,1088 11.69,1089 20.268,1090 -1.965,1091 12.612,1092 15.491,1093 13.417,1094 25.044,1095 11.611,1096 2.659,1097 10.945,1098 22.177,1099 4.576,1100 13.747,1101 16.905,1102 14.758,1103 27.453,1104 12.62,1105 2.49,1106 8.232,1107 24.093,1108 3.869,1109 14.929,1110 18.433,1111 16.1,1112 29.897,1113 13.721,1114 2.088,1115 7.421,1116 26.015,1117 3.443,1118 16.09,1119 19.897,1120 17.441,1121 32.324,1122 14.769,1123 1.814,1124 5.955,1125 27.942,1126 3.14,1127 17.269,1128 21.413,1129 18.783,1130 34.765,1131 15.859,1132 1.552,1133 5.144,1134 29.873,1135 2.734,1136 18.442,1137 22.902,1138 20.124,1139 37.201,1140 16.926,1141 7579,1142 16923,1143 17.8,1144 25.813,1145 42.89,1146 43.54,1147 43.696,1148 42.45,1149 42.263,1150 56.18,1151 11.457,1152 126.904,1153 38.274,1154 5.493,1155 6.46,1156 6.662,1157 5.23,1158 5.32,1159 7.576,1160 5.335,1161 19.055,1162 5.017,1163 16.029,1164 1.532,1165 1.555,1166 1.561,1167 1.516,1168 1.509,1169 2.006,1170 0.409,1171 4.532,1172 1.367,1173 4.077,1174 4.1,1175 4.192,1176 4.012,1177 8.513,1178 4.015,1179 3.909,1180 3.949,1181 3.887,1182 3.773,1183 7.999,1184 3.79,1185 3.545,1186 3.581,1187 3.704,1188 3.416,1189 7.999,1190 3.416,1191 3.395,1192 3.438,1193 3.443,1194 3.129,1195 7.431,1196 3.183,1197 3.262,1198 3.31,1199 3.387,1200 2.969,1201 5.121,1202 3.019,1203 3,1204 3.041,1205 3.24,1206 2.876,1207 4.841,1208 2.878,1209 2.761,1210 2.827,1211 3.044,1212 2.618,1213 4.715,1214 2.597,1215 2.68,1216 2.711,1217 2.723,1218 2.542,1219 4.477,1220 2.563,1221 0.165,1222 0.159,1223 0.254,1224 0.149,1225 0.119,1226 4.62,1227 0.163,1228 4.46,1229 0.137,1230 7.116,1231 0.417,1232 4.168,1233 0.108,1234 3.32,1235 4.576,1236 3.825,1237 11.69,1238 3.017,1239 2.025,1240 2.008,1241 2.062,1242 2.109,1243 1.215,1244 2.103,1245 1.838,1246 1.802,1247 1.928,1248 1.994,1249 0.968,1250 1.972,1251 1.47,1252 1.44,1253 1.579,1254 1.659,1255 0.645,1256 1.627,1257 1.25,1258 1.204,1259 1.374,1260 1.513,1261 0.328,1262 1.49,1263 1.062,1264 1.023,1265 1.155,1266 1.401,1267 0.181,1268 1.316,1269 0.929,1270 0.898,1271 1.019,1272 1.111,1273 0.087,1274 1.106,1275 0.7,1276 0.646,1277 0.913,1278 0.931,1279 0.009,1280 0.942,1281 0.648,1282 0.608,1283 0.808,1284 0.782,1286 0.81,1287 4.043,1289 5.398,1291 6.942,1293 8.573,1295 10.248,1298 12.018,1299 38.028,1305 4.778,1310 -4.606,1314 26.239,1315 72.241,1316 129.609,1317 153.26,1318 172.77,1319 174.77,1320 174.77,1321 62.184,1322 7.191,1323 66.91,1324 66.91,1325 18,1326 12.478,1327 4.248,1328 3.392,1329 44.465,1330 101,1331 80,1332 0.218,1333 167.155,1334 293.24,1335 399.618,1336 12827,1337 14.3,1338 18.897,1339 0.727,1340 0.548,1341 17.397,1342 14.246,1343 12.253,1344 0.438,1345 0.281,1346 7.01,1347 11.085,1348 6.891,1349 5.628,1350 11.619,1351 7.861,1352 12.105,1353 0.295,1354 0.144,1355 10.851,1356 5.886,1357 9.244,1358 0.181,1359 0.081,1360 9.271,1361 4.128,1362 7.403,1363 0.116,1364 0.04,1365 7.382,1366 2.567,1367 6.016,1368 0.075,1369 0.021,1370 5.825,1371 1.704,1372 0.344,1373 84.375,1374 0.237,1375 25.055,1376 0.594,1377 138,1378 664.432,1379 196.374,1380 620.221,1381 787.83,1382 570,1383 161,1384 506.151,1385 211.094,1386 510.885,1387 769.27,1388 479,1389 5.4}
{0 CHEMBL2006156,1 1.554,2 10.5,3 4.753,4 22.593,5 111.645,6 7.491,7 0.636,8 4.092,9 4.205,10 3.668,11 3.608,12 5.216,13 3.602,14 4.615,15 4.785,16 4.046,17 3.969,18 5.71,19 3.954,20 4.829,21 5.039,22 4.069,23 4.072,24 5.875,25 4.035,26 4.905,27 5.112,28 4.178,29 4.139,30 6.058,31 4.105,32 5.011,33 5.218,34 4.09,35 4.18,36 6.161,37 4.125,38 4.98,39 5.233,40 4.034,41 4.161,42 5.937,43 4.075,44 4.789,45 4.973,46 3.868,47 4.104,48 5.823,49 3.995,50 4.817,51 5.092,52 3.61,53 3.905,54 5.676,55 3.751,56 0.029,57 0.789,58 10.824,59 4.794,60 8.162,61 6.166,62 0.258,63 1.258,64 20.669,65 7.672,66 25.625,67 10.378,68 0.482,69 1.517,70 27.478,71 8.58,72 40.902,73 12.03,74 0.372,75 1.597,76 29.425,77 10.071,78 50.345,79 13.982,80 0.715,81 1.692,82 34.12,83 10.544,84 89.462,85 13.976,86 0.446,87 1.569,88 34.256,89 12.356,90 52.395,91 17.222,92 0.319,93 1.396,94 25.088,95 10.669,96 37.048,97 14.128,98 0.29,99 1.354,100 29.121,101 10.323,102 35.659,103 15.266,104 33,105 47,106 0.255,107 0.569,108 0.662,109 0.716,110 0.722,111 0.728,112 3.441,113 0.902,114 -3.07,115 -3.07,116 -2.95,119 42.6,120 4,127 2,142 7,144 1,146 4,151 2,152 2,159 1,172 3,174 1,175 10,178 2,180 2,183 3,187 3,188 5,193 1,196 1,199 2,200 13,203 1,205 4,208 4,212 1,213 8,216 1,221 3,224 2,225 5,233 15,237 2,238 1,241 1,243 1,246 9,250 4,253 1,255 2,258 1,263 2,264 6,269 1,276 1412,277 20.068,278 20.068,279 20.068,280 20.068,281 20.068,282 17.582,283 15.508,284 11.745,285 20.34,286 16.295,287 16.295,288 16.295,289 16.295,290 16.295,291 12.512,292 24.392,293 5.541,294 16.743,295 4.201,296 2.287,297 1.716,298 1.389,299 1.352,300 1.315,301 4.131,305 1,306 1,307 675,308 4.062,311 155.981,312 162.607,316 138.311,319 1.767,320 27.704,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 65,332 315,333 4.603,334 3.748,335 6.737,336 4.17,337 3.199,338 4.497,339 1.701,340 11.044,341 3.106,342 4.229,343 3.198,344 6.607,345 3.982,346 3.039,347 3.886,348 0.563,349 10.246,350 2.861,351 4.11,352 2.825,353 6.117,354 3.752,355 2.772,356 3.518,357 0.075,358 8.994,359 2.712,360 3.942,361 2.699,362 5.781,363 3.536,364 2.542,365 3.298,367 7.866,368 2.526,369 3.606,370 2.542,371 5.334,372 3.238,373 2.276,374 2.974,376 6.84,377 2.185,378 3.316,379 2.262,380 4.712,381 2.839,382 1.849,383 2.675,385 4.894,386 1.826,387 3.153,388 1.834,389 4.616,390 2.711,391 1.732,392 2.462,394 4.704,395 1.694,396 3.029,397 1.825,398 4.5,399 2.677,400 1.687,401 2.068,403 4.337,404 1.665,405 2.732,406 1.66,407 4.414,408 2.606,409 1.634,410 1.734,412 4,413 1.578,414 2.666,415 1.233,416 3.809,417 2.227,418 1.232,419 1.732,421 2.896,422 1.225,423 2.298,424 0.832,425 3.275,426 1.803,427 0.813,428 1.201,430 1.962,431 0.804,432 2.169,433 0.746,434 3.257,435 1.643,436 0.68,437 1.006,439 1.717,440 0.653,441 2.118,442 0.618,443 3.022,444 1.618,445 0.618,446 0.927,448 1.372,449 0.618,450 2.118,451 0.618,452 3,453 1.618,454 0.618,455 0.927,457 1.372,458 0.618,459 1.388,460 0.604,461 3,462 1.103,463 0.155,464 0.171,466 0.419,467 0.146,468 14.1,469 0.47,470 0.822,471 0.027,472 40,473 1.333,474 20,475 0.667,476 20,477 0.667,478 26.142,479 0.871,480 32.1,481 0.594,482 31.02,483 1.034,484 7.77,485 0.259,486 6.666,487 0.222,488 0.165,490 0.383,496 0.822,497 1.405,498 0.765,499 1.161,500 0.673,501 0.983,502 0.848,503 1.227,504 0.741,505 0.996,506 0.575,507 0.874,508 1.135,509 0.983,510 0.977,511 0.827,512 0.977,513 0.848,514 0.94,515 1.148,516 0.811,517 0.994,518 1.149,519 0.892,520 1.596,521 0.883,522 1.239,523 0.881,524 2.431,525 0.969,526 0.814,527 0.707,528 0.707,529 0.755,530 0.609,531 0.722,532 0.784,533 1.191,534 1.179,535 1.327,536 0.705,537 1.34,538 0.527,539 1.139,540 0.896,541 1.107,542 0.578,543 1.074,544 6,545 0.261,546 3.333,547 2.368,548 1.618,549 1.069,550 0.686,551 0.464,552 0.346,553 0.231,554 11253,555 28453,556 2.067,557 44.4,559 9,560 2,562 1,564 12,567 1.731,568 1.915,569 3.341,570 -0.349,577 83.928,578 1.554,579 3.468,580 4.039,581 4.366,582 4.403,583 4.44,584 2.744,585 3.948,586 4.879,587 3.581,588 1557.84,589 8.524,590 21490.2,592 1,595 310.764,596 1.475,597 4.828,598 0.182,599 0.011,600 0.071,601 0.05,602 0.031,603 0.023,604 0.015,605 0.013,606 0.013,607 0.01,608 0.418,609 0.33,610 1,611 1.346,612 153.137,613 -0.03,614 -0.237,615 0.066,616 -0.111,617 -0.07,618 -0.024,619 0.115,620 -0.127,621 0.179,622 -0.006,623 0.144,624 0.075,625 -0.072,626 0.118,627 -0.004,628 0.099,629 -0.053,630 0.07,631 0.073,632 -0.103,633 0.157,634 -0.03,635 0.162,636 0.061,637 -0.231,638 0.153,639 -0.226,640 0.05,641 -0.388,642 -0.058,643 0.072,644 0.208,645 0.294,646 0.25,647 0.149,648 0.303,649 0.02,650 -0.192,651 -0.277,652 -0.278,653 -0.059,654 -0.331,655 0.109,656 -0.223,657 0.089,658 -0.117,659 0.057,660 -0.038,661 1.814,662 5.746,663 0.667,664 29.867,665 1.004,666 1.125,667 1.839,668 3.382,669 0.667,670 3.526,671 3.871,672 4.159,673 4.454,674 4.575,675 4.796,676 4.984,677 5.165,678 5.298,679 5.323,680 6.661,681 0.639,682 404.51,683 3.526,684 5.081,685 5.943,686 6.836,687 7.714,688 8.614,689 9.499,690 10.402,691 11.292,692 12.197,693 7.4,700 2,703 2,708 2,709 9,710 2,712 2,714 5,716 21,735 54,737 22,738 1,739 33,741 57,742 23,743 16,744 3,745 3,748 4,749 5,753 1,754 4,760 2,762 17,763 6,767 1,772 1,776 1,782 2,783 24,784 7,785 1,786 7,792 4,797 0.75,798 3,806 1,815 2,816 2,820 1,843 3,847 4,851 30,860 1,863 2,864 1,874 5.6,877 1,879 2,881 15.667,882 11.017,883 6.528,884 3.383,886 3.585,887 1.468,888 0.973,889 5.71,890 11.247,891 3.818,892 4.443,893 5.059,894 5.708,895 6.209,896 6.745,897 7.294,898 7.814,899 8.265,900 8.528,901 0.857,902 47,903 11.079,905 4.689,906 7.717,907 21.062,909 17.054,911 2.217,912 66.5,914 1,915 1,916 270.735,917 152.846,918 54.706,920 44.16,923 152.846,924 314.895,925 54.706,926 35.301,927 21.135,928 89.813,929 58.716,930 31.573,931 38.716,932 247.193,934 270.735,935 207.552,936 44.16,939 129.482,940 185.413,943 66.238,944 107.743,945 33.571,947 270.735,948 98.866,949 152.846,952 270.735,953 27.732,954 128.238,955 18.011,956 77.731,957 270.735,958 98.866,959 152.846,961 0.587,962 0.345,963 0.195,964 0.083,965 23,966 11,967 0.088,968 5,969 1,970 1.1,971 4.029,972 274.839,973 0.1,974 20,975 137.207,981 20.33,982 8.425,983 4.186,984 1.342,985 98.866,986 15.948,987 9.522,989 11.114,991 3.042,993 18.011,994 522.447,995 44.5,1000 12.746,1004 -0.147,1007 54.225,1008 60.773,1009 0.27,1010 0.603,1011 0.702,1012 0.759,1013 0.765,1014 0.771,1015 5.058,1016 1.687,1017 5.943,1018 4.704,1019 4.554,1020 5.13,1021 1.863,1022 6.783,1023 4.498,1024 6.276,1025 1.634,1026 7.521,1027 4.337,1028 4.205,1029 4.934,1030 1.305,1031 7.751,1032 4.111,1033 7.588,1034 1.232,1035 9.202,1036 4,1037 6.172,1038 7.352,1039 2.511,1040 10.866,1041 6.047,1042 8.938,1043 0.813,1044 10.942,1045 2.896,1046 6.648,1047 8.017,1048 2.473,1049 12.658,1050 6.479,1051 10.319,1052 0.68,1053 12.721,1054 1.962,1055 8.085,1056 9.874,1057 3.388,1058 15.285,1059 7.885,1060 11.723,1061 0.618,1062 14.526,1063 1.717,1064 8.923,1065 10.949,1066 3.608,1067 17.409,1068 8.68,1069 13.144,1070 0.618,1071 16.349,1072 1.372,1073 10.165,1074 12.581,1075 4.358,1076 19.869,1077 9.889,1078 3.199,1079 0.155,1080 18.186,1081 1.372,1082 11.166,1083 13.862,1084 4.717,1085 22.133,1086 10.847,1087 3.039,1088 11.044,1089 20.034,1090 0.419,1091 12.335,1092 15.401,1093 5.372,1094 24.535,1095 11.983,1096 2.772,1097 10.246,1098 21.89,1099 4.497,1100 13.408,1101 16.787,1102 5.808,1103 26.861,1104 13.016,1105 2.542,1106 8.994,1107 23.753,1108 3.886,1109 14.552,1110 18.29,1111 6.409,1112 29.244,1113 14.126,1114 2.276,1115 7.866,1116 25.621,1117 3.518,1118 15.659,1119 19.728,1120 6.887,1121 31.598,1122 15.195,1123 1.849,1124 6.84,1125 27.493,1126 3.298,1127 16.796,1128 21.221,1129 7.458,1130 33.977,1131 16.298,1132 1.732,1133 4.894,1134 29.368,1135 2.974,1136 17.92,1137 22.686,1138 7.96,1139 36.346,1140 17.386,1141 10876,1142 17549,1143 21.789,1144 36,1145 50.498,1146 50.874,1147 50.908,1148 49.684,1149 49.694,1150 66.154,1151 4.68,1152 145.325,1153 48.435,1154 5.485,1155 5.748,1156 6.334,1157 5.242,1158 5.199,1159 7.497,1160 2.972,1161 18.222,1162 5.106,1163 16.217,1164 1.53,1165 1.542,1166 1.543,1167 1.506,1168 1.506,1169 2.005,1170 0.142,1171 4.404,1172 1.468,1173 4.111,1174 4.137,1175 4.087,1176 3.995,1177 7.429,1178 4.014,1179 3.865,1180 3.894,1181 3.814,1182 3.736,1183 5.192,1184 3.75,1185 3.824,1186 3.842,1187 3.77,1188 3.663,1189 5.046,1190 3.685,1191 3.792,1192 3.83,1193 3.696,1194 3.614,1195 4.912,1196 3.621,1197 3.453,1198 3.539,1199 3.324,1200 3.299,1201 4.386,1202 3.271,1203 3.394,1204 3.447,1205 3.23,1206 3.213,1207 4.297,1208 3.234,1209 3.155,1210 3.194,1211 3.073,1212 2.932,1213 4.084,1214 2.964,1215 2.924,1216 3.009,1217 2.843,1218 2.765,1219 4.048,1220 2.775,1221 0.139,1222 0.114,1223 0.204,1224 0.126,1225 0.097,1226 4.603,1227 0.136,1228 3.748,1229 0.052,1230 6.737,1231 0.335,1232 4.17,1233 0.094,1234 3.199,1235 4.497,1236 1.701,1237 11.044,1238 3.106,1239 2.005,1240 1.978,1241 2.06,1242 2.124,1243 1.212,1244 2.105,1245 1.754,1246 1.69,1247 1.978,1248 1.966,1249 1.152,1250 1.969,1251 1.61,1252 1.587,1253 1.82,1254 1.736,1255 0.989,1256 1.742,1257 1.492,1258 1.426,1259 1.712,1260 1.694,1261 0.827,1262 1.721,1263 1.464,1264 1.41,1265 1.644,1266 1.587,1267 0.689,1268 1.604,1269 1.394,1270 1.364,1271 1.545,1272 1.586,1273 0.537,1274 1.584,1275 1.195,1276 1.2,1277 1.417,1278 1.491,1279 0.469,1280 1.43,1281 1.145,1282 1.108,1283 1.417,1284 1.452,1285 0.469,1286 1.404,1287 4.205,1289 5.541,1290 3.045,1291 7.06,1292 5.13,1293 8.674,1294 6.986,1295 10.341,1297 7.989,1305 2.97,1308 0.179,1309 1.796,1314 34.498,1315 83.928,1316 187.28,1317 218.093,1318 235.744,1319 237.744,1320 239.744,1321 50.763,1322 7.662,1323 84.4,1324 84.4,1325 22,1326 12.719,1327 4.524,1328 3.644,1329 46.936,1330 121,1331 98,1332 0.193,1333 211.713,1334 357.39,1335 508.339,1336 20185,1338 21.25,1339 0.708,1340 0.581,1341 21.25,1342 17.417,1343 14.436,1344 0.437,1345 0.301,1346 9.781,1347 13.815,1348 9.432,1349 7.918,1350 14.436,1351 9.926,1352 13.366,1353 0.284,1354 0.162,1355 13.366,1356 7.604,1357 10.861,1358 0.172,1359 0.076,1360 10.861,1361 4.772,1362 9.908,1363 0.117,1364 0.042,1365 9.908,1366 3.556,1367 6.288,1368 0.065,1369 0.018,1370 6.288,1371 1.705,1372 0.3,1373 90.732,1374 0.214,1375 28.058,1376 0.536,1377 160,1378 478.475,1379 178.709,1380 457.537,1381 638.43,1382 430,1383 190,1384 490.772,1385 209.127,1386 490.985,1387 722.76,1388 463,1389 5.1}
{0 CHEMBL2006188,1 1.468,2 11.633,3 2.393,4 5.725,5 121.018,6 6.975,7 0.563,8 4.128,9 4.261,10 3.626,11 3.659,12 5.233,13 3.626,14 4.634,15 4.818,16 3.92,17 4.021,18 5.672,19 3.96,20 4.878,21 5.099,22 4.008,23 4.171,24 5.859,25 4.086,26 4.946,27 5.167,28 4.009,29 4.192,30 5.996,31 4.092,32 5.013,33 5.253,34 3.982,35 4.198,36 6.013,37 4.091,38 4.962,39 5.189,40 3.959,41 4.173,42 5.958,43 4.07,44 4.972,45 5.212,46 3.954,47 4.161,48 6.014,49 4.051,50 4.996,51 5.256,52 3.883,53 4.131,54 6.014,55 4.004,56 0.055,57 0.832,58 12.691,59 5.19,60 12.547,61 7.148,62 0.223,63 1.277,64 22.435,65 8.418,66 28.168,67 11.831,68 0.238,69 1.557,70 29.416,71 10.735,72 36.463,73 15.364,74 0.331,75 1.633,76 31.68,77 11.659,78 51.099,79 16.526,80 0.401,81 1.666,82 34.792,83 12.163,84 60.446,85 17.348,86 0.317,87 1.618,88 32.643,89 11.515,90 48.765,91 16.365,92 0.41,93 1.642,94 33.13,95 11.496,96 59.518,97 16.681,98 0.383,99 1.617,100 34.496,101 12.033,102 70.826,103 17.456,104 24,105 42,106 0.239,107 0.58,108 0.781,109 0.878,110 0.884,111 0.884,112 3.44,113 0.942,114 -3.37,115 -3.35,116 -3.21,119 41.4,120 1,121 1,124 1,125 2,127 1,142 9,143 4,144 2,145 2,158 1,163 1,164 1,165 1,172 11,175 5,178 1,180 7,183 14,185 1,188 4,193 5,196 11,200 6,203 1,204 2,205 5,207 1,208 8,213 6,216 1,218 4,221 9,225 4,230 6,233 9,235 2,237 1,238 5,241 1,243 6,246 10,248 2,250 1,252 1,253 1,254 1,255 3,257 1,258 9,260 2,263 1,264 3,267 2,269 3,272 11,274 2,276 1668,277 20.568,278 20.568,279 20.568,280 20.568,281 20.568,282 18.365,283 22.508,284 12.581,285 20.939,286 15.713,287 15.713,288 15.713,289 15.713,290 15.713,291 12.315,292 34,293 5.864,294 16.173,295 4.39,296 2.301,297 1.07,298 0.474,299 0.44,300 0.44,301 4.124,305 1,306 1,307 731,308 3.873,312 336.619,319 1.791,320 23.997,323 1,324 1,325 0.83,326 0.8,327 0.5,328 1,329 1,330 0.88,331 64,332 349,333 4.422,334 3.615,335 6.495,336 4.063,337 3.07,338 4.086,339 1.081,340 10.139,341 3.046,342 4.163,343 3.097,344 6.121,345 3.84,346 2.856,347 3.724,348 0.86,349 8.967,350 2.809,351 4.066,352 2.91,353 6.046,354 3.703,355 2.707,356 3.598,357 0.473,358 8.697,359 2.694,360 3.587,361 2.691,362 5.273,363 3.27,364 2.326,365 2.859,366 0.4,367 6.642,368 2.191,369 3.401,370 2.553,371 5.054,372 3.008,373 2.026,374 2.708,376 5.782,377 1.977,378 3.185,379 1.885,380 4.427,381 2.778,382 1.815,383 2.385,385 4.417,386 1.747,387 2.82,388 1.727,389 4.207,390 2.551,391 1.579,392 1.922,394 3.772,395 1.531,396 2.73,397 1.62,398 3.745,399 2.377,400 1.405,401 1.815,403 3.014,404 1.36,405 2.598,406 1.452,407 3.584,408 2.235,409 1.253,410 1.605,412 2.81,413 1.226,414 2.554,415 1.151,416 3.501,417 2.066,418 1.092,419 1.565,421 2.61,422 1.061,423 2.5,424 1.125,425 3.456,426 1.984,427 1,428 1.5,430 2.233,431 0.983,432 2.305,433 1,434 3.247,435 1.901,436 0.895,437 1.205,439 2.136,440 0.895,441 1.807,442 0.947,443 2.921,444 1.653,445 0.71,446 0.759,448 1.251,449 0.667,450 1.583,451 0.935,452 2.702,453 1.293,454 0.427,455 0.48,457 0.621,458 0.366,459 1.16,460 0.323,461 2.623,462 0.873,463 -0.093,464 -0.105,466 -0.185,467 -0.089,468 14.267,469 0.476,470 0.554,471 0.018,472 39,473 1.3,474 20.5,475 0.683,476 18.5,477 0.617,478 24.683,479 0.823,480 32.533,481 0.561,482 31.041,483 1.035,484 7.943,485 0.265,486 6.675,487 0.222,488 0.121,490 0.28,496 0.896,497 1.229,498 0.883,499 1.065,500 0.776,501 0.978,502 1.027,503 1.075,504 0.957,505 0.983,506 0.722,507 0.961,508 1,509 1.037,510 0.945,511 0.978,512 0.89,513 0.953,514 0.941,515 1.085,516 1.025,517 1.123,518 1.116,519 1.092,520 1.21,521 0.977,522 1.011,523 0.964,524 1.479,525 0.967,526 1.269,527 1.103,528 1.076,529 1.056,530 1.341,531 1.048,532 0.962,533 1.059,534 1.027,535 1.054,536 1.197,537 1.045,538 0.979,539 0.983,540 0.959,541 0.991,542 1.254,543 0.978,544 5,545 0.14,546 3.111,547 1.75,548 1.387,549 1.208,550 0.691,551 0.439,552 0.308,553 0.245,554 11366,555 28630,556 2.032,557 48.3,559 17,561 2,562 4,564 3,565 2,567 1.733,568 1.915,569 3.517,570 1.564,572 1,577 85.118,578 1.468,579 3.557,580 4.788,581 5.384,582 5.418,583 5.418,584 2.933,585 4.482,586 4.874,587 3.678,588 1599.73,589 8.53,590 22723.5,592 1,595 339.763,596 1.338,597 4.843,598 0.156,599 0.005,600 0.074,601 0.039,602 0.032,603 0.029,604 0.017,605 0.011,606 0.008,607 0.008,608 0.379,609 0.17,610 1,611 1.302,612 154.704,613 -0.068,614 -0.017,615 0.026,616 0.014,617 -0.09,618 0.034,619 -0.038,620 0.036,621 -0.005,622 0.048,623 0.015,624 0.029,625 -0.077,626 0.009,627 0.017,628 0.031,629 -0.032,630 0.038,631 0.049,632 -0.055,633 -0.057,634 -0.119,635 0.013,636 -0.105,637 -0.066,638 0.001,639 -0.016,640 0.022,641 -0.103,642 0.01,643 -0.137,644 -0.101,645 -0.089,646 -0.063,647 -0.102,648 -0.071,649 0.058,650 -0.048,651 -0.044,652 -0.076,653 0.041,654 -0.07,655 0.031,656 -0.026,657 0.032,658 -0.015,659 0.075,660 0.003,661 1.804,662 6.067,663 0.6,664 32.667,665 0.994,666 1.127,667 2.135,668 4.56,669 0.656,670 3.497,671 3.761,672 4.007,673 4.22,674 4.431,675 4.466,676 4.585,677 4.605,678 4.673,679 4.7,680 7.005,681 0.618,682 404.56,683 3.497,684 5.004,685 5.832,686 6.683,687 7.532,688 8.393,689 9.251,690 10.117,691 10.979,692 11.848,693 6.9,694 1,698 1,700 1,703 1,709 11,710 1,714 6,716 18,723 1,728 1,733 1,735 58,737 19,738 2,739 32,741 60,742 24,743 17,744 5,745 7,746 1,748 3,749 3,754 2,760 2,762 18,763 6,767 1,772 1,776 1,780 1,783 28,784 6,785 4,786 6,792 4,797 1,798 2,809 1,816 3,836 1,843 3,847 2,851 30,852 1,858 3,860 2,861 1,863 1,874 3.4,877 1,879 1,881 15.667,882 10.617,883 6.944,884 3.376,886 2.939,887 1.406,888 0.965,889 7.831,890 10.172,891 3.761,892 4.297,893 4.854,894 5.387,895 5.911,896 6.066,897 6.456,898 6.682,899 7.001,900 7.26,901 0.875,902 45,903 11.069,905 4.526,906 7.7,907 21.185,909 16.747,911 2.2,912 66,915 1,916 282.506,917 155.282,918 85.704,920 36.145,923 155.282,924 318.651,925 85.704,926 19.708,927 57.654,928 85.286,929 88.188,930 49.837,932 258.964,934 282.506,935 240.987,936 36.145,939 223.651,940 95,943 84.574,944 121.616,945 34.796,947 282.506,948 121.849,949 155.282,952 282.506,953 32.193,954 123.089,955 36.022,956 85.828,957 282.506,958 121.849,959 155.282,961 0.559,962 0.328,963 0.176,964 0.097,965 17,966 8,967 0.15,968 9,970 1,971 4.118,972 254.183,974 18,975 143.207,981 21.817,982 10.768,983 5.823,985 121.849,986 20.918,987 4.071,991 5.189,993 68.919,994 559.638,995 42,1000 13.067,1004 -0.137,1007 57.665,1008 65.394,1009 0.251,1010 0.607,1011 0.817,1012 0.919,1013 0.925,1014 0.925,1015 4.959,1016 1.405,1017 5.784,1018 3.772,1019 4.443,1020 4.984,1021 1.72,1022 6.55,1023 4.396,1024 6.133,1025 1.253,1026 7.314,1027 3.014,1028 3.892,1029 4.605,1031 7.38,1032 3.852,1033 7.412,1034 1.092,1035 8.949,1036 2.81,1037 5.984,1038 7.107,1039 1.605,1040 10.47,1041 5.908,1042 8.729,1043 1,1044 10.646,1045 2.61,1046 6.293,1047 7.564,1049 12.14,1050 6.228,1051 10.08,1052 0.895,1053 12.385,1054 2.233,1055 7.811,1056 9.515,1057 1.616,1058 14.721,1059 7.718,1060 11.455,1061 0.71,1062 14.151,1063 2.136,1064 8.525,1065 10.377,1067 16.73,1068 8.441,1069 12.849,1070 0.427,1071 15.935,1072 1.251,1073 9.797,1074 12.068,1075 1.674,1076 19.127,1077 9.694,1078 3.07,1079 -0.093,1080 17.733,1081 0.621,1082 10.708,1083 13.15,1085 21.285,1086 10.607,1087 2.856,1088 10.139,1089 19.541,1090 -0.185,1091 11.873,1092 14.704,1093 1.758,1094 23.612,1095 11.759,1096 2.707,1097 8.967,1098 21.356,1099 4.086,1100 12.879,1101 15.911,1103 25.838,1104 12.763,1105 2.326,1106 8.697,1107 23.177,1108 3.724,1109 13.999,1110 17.389,1111 1.859,1112 28.141,1113 13.874,1114 2.026,1115 6.642,1116 25.004,1117 3.598,1118 15.051,1119 18.67,1121 30.4,1122 14.921,1123 1.815,1124 5.782,1125 26.834,1126 2.859,1127 16.155,1128 20.107,1129 1.973,1130 32.696,1131 16.016,1132 1.579,1133 4.417,1134 28.667,1135 2.708,1136 17.23,1137 21.432,1139 34.973,1140 17.085,1141 11190,1142 17872,1143 21.266,1144 38.069,1145 46.69,1146 47.693,1147 48.057,1148 46.23,1149 46.325,1150 60.421,1151 5.627,1152 126.181,1153 45.108,1154 5.318,1155 5.615,1156 6.404,1157 5.098,1158 5.07,1159 7.086,1160 2.162,1161 17.018,1162 5.046,1163 14.473,1164 1.459,1165 1.49,1166 1.502,1167 1.445,1168 1.448,1169 1.888,1170 0.176,1171 3.943,1172 1.41,1173 4.032,1174 4.06,1175 3.984,1176 3.96,1177 7.429,1178 3.962,1179 3.925,1180 3.952,1181 3.866,1182 3.857,1183 5.01,1184 3.855,1185 3.768,1186 3.814,1187 3.708,1188 3.651,1189 4.929,1190 3.659,1191 3.628,1192 3.703,1193 3.469,1194 3.453,1195 4.863,1196 3.444,1197 3.493,1198 3.555,1199 3.381,1200 3.31,1201 4.659,1202 3.315,1203 3.236,1204 3.301,1205 3.098,1206 2.983,1207 4.406,1208 3.004,1209 3.165,1210 3.278,1211 3,1212 2.943,1213 4.118,1214 2.945,1215 3.143,1216 3.189,1217 2.974,1218 2.884,1219 4.112,1220 2.893,1221 0.138,1222 0.113,1223 0.203,1224 0.127,1225 0.096,1226 4.422,1227 0.128,1228 3.615,1229 0.034,1230 6.495,1231 0.317,1232 4.063,1233 0.095,1234 3.07,1235 4.086,1236 1.081,1237 10.139,1238 3.046,1239 1.984,1240 1.962,1241 2.07,1242 2.076,1243 1.23,1244 2.075,1245 1.914,1246 1.89,1247 2.029,1248 2.012,1249 1.193,1250 2.018,1251 1.736,1252 1.697,1253 1.911,1254 1.897,1255 1.138,1256 1.904,1257 1.613,1258 1.541,1259 1.816,1260 1.812,1261 0.874,1262 1.819,1263 1.461,1264 1.398,1265 1.718,1266 1.68,1267 0.822,1268 1.692,1269 1.185,1270 1.111,1271 1.563,1272 1.491,1273 0.57,1274 1.515,1275 1.112,1276 1.045,1277 1.435,1278 1.442,1279 0.524,1280 1.45,1281 1.073,1282 0.999,1283 1.26,1284 1.331,1285 0.28,1286 1.315,1287 4.174,1289 5.451,1291 6.932,1293 8.506,1295 10.129,1297 3.589,1301 5.629,1303 2.105,1305 6.445,1306 5.287,1308 -0.163,1314 35.837,1315 85.118,1316 206.319,1317 277.724,1318 312.253,1319 314.253,1320 314.253,1321 57.969,1322 7.233,1323 89.27,1324 89.27,1325 18,1326 12.394,1327 4.322,1328 3.459,1329 55.059,1330 122,1331 130,1332 0.213,1333 224.702,1334 389.16,1335 540.033,1336 12910,1338 21.347,1339 0.712,1340 0.58,1341 21.347,1342 17.391,1343 14.618,1344 0.457,1345 0.314,1346 9.928,1347 14.132,1348 9.642,1349 8.091,1350 14.618,1351 10.053,1352 12.282,1353 0.292,1354 0.168,1355 12.282,1356 7.037,1357 10.257,1358 0.19,1359 0.091,1360 10.257,1361 4.916,1362 8.269,1363 0.123,1364 0.048,1365 8.269,1366 3.206,1367 6.528,1368 0.079,1369 0.026,1370 6.528,1371 2.148,1372 0.334,1373 91.115,1374 0.217,1375 28.44,1376 0.585,1377 148,1378 405.094,1379 158.949,1380 395.839,1381 541.38,1382 372,1383 170,1384 392.379,1385 180.313,1386 402.468,1387 580.37,1388 378,1389 5.1}
{0 CHEMBL2006237,1 1.517,2 13.345,3 2.057,4 4.231,5 115.076,6 7.028,7 0.5,8 4.123,9 4.271,10 3.642,11 3.598,12 5.171,13 3.582,14 4.677,15 4.887,16 3.986,17 3.994,18 5.698,19 3.951,20 4.926,21 5.167,22 4.001,23 4.138,24 5.866,25 4.051,26 5,27 5.273,28 3.917,29 4.11,30 5.924,31 3.99,32 4.928,33 5.221,34 3.801,35 3.991,36 5.825,37 3.868,38 4.75,39 5.018,40 3.669,41 3.888,42 5.637,43 3.776,44 4.705,45 4.983,46 3.656,47 3.846,48 5.619,49 3.731,50 4.624,51 4.877,52 3.604,53 3.787,54 5.569,55 3.685,56 0.045,57 0.899,58 12.627,59 4.37,60 9.35,61 6.665,62 0.288,63 1.4,64 23.677,65 7.129,66 30.931,67 11.277,68 0.362,69 1.63,70 31.325,71 9.657,72 38.064,73 15.051,74 0.394,75 1.615,76 34.646,77 10.523,78 50.584,79 16.725,80 0.448,81 1.442,82 32.917,83 9.669,84 47.809,85 15.455,86 0.315,87 1.284,88 26.878,89 7.862,90 35.941,91 12.598,92 0.33,93 1.212,94 25.777,95 7.981,96 38.721,97 12.597,98 0.216,99 1.151,100 23.321,101 6.974,102 31.44,103 11.121,104 11,105 44,106 0.249,107 0.578,108 0.727,109 0.829,110 0.858,111 0.858,112 3.407,113 0.938,114 -3.25,115 -3.24,116 -3.11,119 37.5,121 1,124 1,125 6,142 6,143 1,146 2,147 1,152 1,158 1,161 1,163 1,164 1,165 1,172 5,175 5,177 1,178 3,180 4,183 3,185 1,187 2,188 5,191 1,193 5,196 1,198 1,199 1,200 4,202 1,203 2,205 4,208 1,210 1,213 5,216 2,217 2,218 2,220 1,221 3,223 1,224 1,225 3,233 5,237 1,238 3,240 1,241 2,243 4,246 4,248 1,250 2,255 3,258 2,260 1,263 2,264 2,267 2,268 1,269 1,271 1,272 2,274 1,276 1439,277 19.723,278 19.723,279 19.723,280 19.723,281 19.723,282 17.789,283 21.255,284 11.766,285 20.163,286 15.826,287 15.826,288 15.826,289 15.826,290 15.826,291 12.836,292 31.619,293 5.619,294 16.554,295 4.291,296 2.286,297 1.38,298 0.763,299 0.585,300 0.585,301 4.107,305 1,306 1,307 843,308 3.317,311 62.124,312 285.451,315 122.605,319 2.126,320 23.976,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 62.5,332 387,333 4.623,334 3.546,335 6.694,336 4.151,337 3.182,338 4.567,339 0.98,340 10.846,341 3.091,342 4.174,343 3.048,344 6.143,345 3.768,346 2.802,347 3.786,348 0.8,349 9.047,350 2.7,351 3.809,352 2.945,353 5.561,354 3.54,355 2.619,356 3.247,357 0.8,358 7.195,359 2.411,360 3.619,361 2.745,362 5.412,363 3.391,364 2.427,365 2.856,366 0.4,367 7.151,368 2.336,369 3.522,370 2.487,371 5.27,372 3.14,373 2.169,374 2.618,376 6.535,377 2.097,378 3.117,379 2.376,380 4.889,381 3.019,382 2.104,383 2.265,385 5.695,386 1.923,387 3.019,388 1.8,389 4.372,390 2.54,391 1.573,392 2.116,394 4.035,395 1.52,396 2.888,397 1.634,398 4.247,399 2.413,400 1.438,401 1.979,403 3.657,404 1.397,405 2.774,406 1.474,407 3.745,408 2.339,409 1.341,410 1.879,412 3.034,413 1.327,414 2.5,415 1.274,416 3.595,417 2.218,418 1.238,419 1.5,421 2.863,422 1.21,423 2.429,424 1.146,425 3.466,426 1.967,427 1,428 1.425,430 2.468,431 0.965,432 2,433 1,434 3.414,435 1.95,436 1,437 1,439 2.275,440 0.948,441 1.939,442 0.7,443 3.151,444 1.445,445 0.501,446 0.64,448 1.138,449 0.472,450 1.574,451 0.587,452 2.94,453 1.386,454 0.433,455 0.528,457 1.128,458 0.41,459 0.989,460 0.1,461 2.548,462 0.843,463 -0.111,464 -0.115,466 -0.244,467 -0.105,468 13.633,469 0.47,470 0.661,471 0.023,472 36,473 1.241,474 16,475 0.552,476 20,477 0.69,478 24.048,479 0.829,480 31.967,481 0.571,482 26.669,483 0.92,484 7.199,485 0.248,486 6.898,487 0.238,488 0.09,490 0.315,496 0.938,497 1.554,498 0.858,499 1.169,500 0.728,501 1.018,502 0.98,503 1.156,504 0.927,505 0.963,506 0.469,507 0.929,508 1.031,509 1.064,510 1.027,511 1.033,512 0.806,513 1.027,514 0.835,515 1.058,516 0.937,517 1.035,518 0.734,519 1.004,520 0.828,521 0.846,522 0.846,523 0.849,524 0.758,525 0.847,526 1.079,527 0.995,528 1.045,529 0.963,530 0.93,531 0.989,532 0.728,533 0.885,534 0.868,535 0.897,536 0.53,537 0.896,538 1.078,539 1.155,540 1.048,541 1.085,542 0.974,543 1.06,544 5.5,545 0.098,546 2.889,547 1.507,548 1.463,549 0.782,550 0.467,551 0.299,552 0.2,553 0.223,554 12401,555 28677,556 2.111,557 48.2,559 21,562 4,565 2,567 1.714,568 2,569 3.677,570 1.663,571 1,572 1,577 84.94,578 1.517,579 3.521,580 4.427,581 5.044,582 5.222,583 5.222,584 3.142,585 4.582,586 4.828,587 3.87,588 1571.25,589 8.377,590 22424.4,592 1,594 1,595 325.212,596 1.314,597 4.8,598 0.172,599 0.005,600 0.066,601 0.035,602 0.038,603 0.023,604 0.016,605 0.01,606 0.007,607 0.009,608 0.381,609 0.17,610 1,611 0.674,612 150.728,613 -0.083,614 -0.256,615 0.052,616 -0.06,617 -0.062,618 0.005,619 0.01,620 0.016,621 0.032,622 0.044,623 0.178,624 0.044,625 -0.057,626 -0.004,627 -0.058,628 -0.035,629 0.021,630 -0.046,631 0.07,632 -0.095,633 0.041,634 -0.055,635 0.118,636 -0.017,637 0.117,638 0.073,639 0.15,640 0.104,641 0.122,642 0.129,643 -0.123,644 0.001,645 -0.063,646 0.006,647 -0.093,648 -0.016,649 0.113,650 0.082,651 0.107,652 0.086,653 0.152,654 0.096,655 -0.124,656 -0.138,657 -0.075,658 -0.097,659 -0.067,660 -0.078,661 2.155,662 4.629,663 0.724,664 32.961,665 0.998,666 1.14,667 2.025,668 4.099,669 0.645,670 3.497,671 3.807,672 4.06,673 4.317,674 4.543,675 4.585,676 4.71,677 4.796,678 4.852,679 4.949,680 7.771,681 0.61,682 393.55,683 3.497,684 5.03,685 5.872,686 6.742,687 7.603,688 8.479,689 9.351,690 10.231,691 11.11,692 11.994,693 12.5,696 2,698 1,700 1,701 1,703 2,708 2,709 6,710 2,711 1,714 4,716 16,722 1,728 1,735 56,737 17,738 1,739 32,741 59,742 21,743 12,744 3,745 3,746 1,748 4,749 5,760 1,762 13,763 8,767 1,772 1,776 1,780 1,783 27,784 7,785 4,786 8,789 1,792 7,797 0.75,798 1,809 1,815 1,816 3,819 1,839 2,843 3,847 1,851 29,852 1,858 7,860 1,864 2,874 1.8,877 1,881 14.5,882 10.05,883 6.361,884 3.365,886 3.347,887 1.43,888 1.005,889 6.092,890 11.13,891 3.738,892 4.314,893 4.904,894 5.526,895 6.079,896 6.449,897 6.933,898 7.352,899 7.651,900 8.027,901 0.889,902 43,903 10.723,905 4.524,906 7.644,907 20.799,909 17.099,911 2.144,912 62.167,916 270.735,917 100.014,918 107.513,920 25.145,923 100.014,924 295.88,925 107.513,926 8.396,927 48.066,928 56.857,929 83.759,930 31.121,931 4.472,932 270.735,934 270.735,935 207.527,936 25.145,939 247.193,940 48.687,943 78.329,944 77.616,945 51.582,947 270.735,948 132.658,949 100.014,952 270.735,953 34.76,954 71.502,955 34.796,956 91.613,957 270.735,958 132.658,959 100.014,961 0.578,962 0.331,963 0.178,964 0.1,965 21,966 9,967 0.119,968 7,969 1,970 1.095,971 4.215,972 246.323,973 0.095,974 21,975 136.881,981 19.832,982 8.908,983 4.755,984 1.339,985 115.873,986 11.15,987 9.217,988 3.228,991 2.565,993 67.693,994 503.407,995 41,1000 11.629,1004 -0.489,1007 55.876,1008 63.85,1009 0.261,1010 0.606,1011 0.762,1012 0.869,1013 0.899,1014 0.899,1015 4.97,1016 1.438,1017 5.844,1018 4.035,1019 4.489,1020 5.001,1021 1.641,1022 6.627,1023 4.402,1024 6.155,1025 1.341,1026 7.382,1027 3.657,1028 4.007,1029 4.783,1030 0.57,1031 7.469,1032 3.874,1033 7.449,1034 1.238,1035 9.02,1036 3.034,1037 6.052,1038 7.192,1039 1.339,1040 10.564,1041 5.881,1042 8.78,1043 1,1044 10.719,1045 2.863,1046 6.399,1047 7.869,1048 0.479,1049 12.273,1050 6.19,1051 10.148,1052 1,1053 12.457,1054 2.468,1055 7.898,1056 9.748,1057 1.199,1058 14.881,1059 7.655,1060 11.544,1061 0.501,1062 14.224,1063 2.275,1064 8.641,1065 10.858,1066 0.346,1067 16.961,1068 8.369,1069 12.961,1070 0.433,1071 16.012,1072 1.138,1073 9.914,1074 12.519,1075 1.111,1076 19.407,1077 9.611,1078 3.182,1079 -0.111,1080 17.818,1081 1.128,1082 10.854,1083 13.84,1084 0.237,1085 21.65,1086 10.528,1087 2.802,1088 10.846,1089 19.637,1090 -0.244,1091 12.034,1092 15.409,1093 1.046,1094 24.043,1095 11.679,1096 2.619,1097 9.047,1098 21.467,1099 4.567,1100 13.073,1101 16.831,1102 0.158,1103 26.358,1104 12.696,1105 2.427,1106 7.195,1107 23.307,1108 3.786,1109 14.219,1110 18.363,1111 0.994,1112 28.736,1113 13.815,1114 2.169,1115 7.151,1116 25.154,1117 3.247,1118 15.308,1119 19.833,1120 0.104,1121 31.084,1122 14.882,1123 2.104,1124 6.535,1125 27.008,1126 2.856,1127 16.445,1128 21.351,1129 0.952,1130 33.458,1131 15.993,1132 1.573,1133 5.695,1134 28.868,1135 2.618,1136 17.56,1137 22.844,1138 0.068,1139 35.822,1140 17.084,1141 11712,1142 18077,1143 21.671,1144 36.108,1145 48.097,1146 48.275,1147 48.799,1148 47.673,1149 47.654,1150 60.808,1151 5.96,1152 134.13,1153 45.614,1154 5.623,1155 5.546,1156 6.382,1157 5.219,1158 5.182,1159 7.567,1160 1.96,1161 17.909,1162 5.091,1163 12.825,1164 1.503,1165 1.509,1166 1.525,1167 1.49,1168 1.489,1169 1.9,1170 0.186,1171 4.192,1172 1.425,1173 4.132,1174 4.172,1175 4.105,1176 4.012,1177 7.437,1178 4.03,1179 3.882,1180 3.952,1181 3.807,1182 3.747,1183 5.092,1184 3.756,1185 3.827,1186 3.88,1187 3.727,1188 3.65,1189 4.882,1190 3.658,1191 3.564,1192 3.64,1193 3.438,1194 3.388,1195 4.798,1196 3.382,1197 3.452,1198 3.506,1199 3.362,1200 3.235,1201 4.411,1202 3.263,1203 3.264,1204 3.336,1205 3.166,1206 3.059,1207 4.294,1208 3.083,1209 3.203,1210 3.297,1211 3.027,1212 2.948,1213 4.133,1214 2.95,1215 3.111,1216 3.206,1217 2.866,1218 2.941,1219 3.912,1220 2.91,1221 0.144,1222 0.111,1223 0.209,1224 0.13,1225 0.099,1226 4.623,1227 0.143,1228 3.546,1229 0.031,1230 6.694,1231 0.339,1232 4.151,1233 0.097,1234 3.182,1235 4.567,1236 0.98,1237 10.846,1238 3.091,1239 1.93,1240 1.908,1241 2.023,1242 2.043,1243 1.34,1244 2.042,1245 1.858,1246 1.817,1247 2.007,1248 2.028,1249 1.151,1250 2.023,1251 1.795,1252 1.722,1253 1.948,1254 1.99,1255 1.125,1256 1.98,1257 1.561,1258 1.486,1259 1.819,1260 1.775,1261 0.967,1262 1.793,1263 1.361,1264 1.306,1265 1.548,1266 1.624,1267 0.825,1268 1.592,1269 1.189,1270 1.101,1271 1.513,1272 1.492,1273 0.671,1274 1.504,1275 1.153,1276 1.064,1277 1.483,1278 1.437,1279 0.526,1280 1.429,1281 1.126,1282 1.054,1283 1.341,1284 1.376,1285 0.461,1286 1.419,1287 4.174,1289 5.485,1290 2.398,1291 6.984,1292 4.727,1293 8.57,1294 6.862,1295 10.204,1297 2.175,1301 5.456,1303 7.613,1305 3.403,1309 4.88,1314 34.133,1315 84.94,1316 197.196,1317 247.928,1318 282.457,1319 292.457,1320 292.457,1321 44.522,1322 7.782,1323 103.17,1324 103.17,1325 23,1326 12.528,1327 4.17,1328 3.322,1329 45.066,1330 135,1331 147,1332 0.16,1333 210.773,1334 354.39,1335 506.047,1336 29295,1338 20.217,1339 0.697,1340 0.575,1341 20.217,1342 16.688,1343 14.097,1344 0.441,1345 0.313,1346 9.849,1347 13.518,1348 9.638,1349 7.979,1350 14.097,1351 10.007,1352 12.697,1353 0.289,1354 0.17,1355 12.697,1356 7.485,1357 10.405,1358 0.183,1359 0.093,1360 10.405,1361 5.323,1362 8.607,1363 0.116,1364 0.049,1365 8.607,1366 3.608,1367 7.11,1368 0.076,1369 0.028,1370 7.11,1371 2.571,1372 0.259,1373 88.438,1374 0.215,1375 28.186,1376 0.415,1377 152,1378 404.294,1379 167.064,1380 396.279,1381 547.88,1382 372,1383 177,1384 408.932,1385 192.955,1386 415.432,1387 608.3,1388 391,1389 5.1}
{0 CHEMBL2006263,1 1.747,2 9.957,3 2.073,4 4.297,5 89.947,6 8.421,7 0.68,8 3.777,9 3.881,10 3.619,11 3.387,12 4.912,13 3.345,14 4.272,15 4.414,16 3.911,17 3.741,18 5.669,19 3.696,20 4.48,21 4.644,22 3.974,23 3.858,24 5.763,25 3.794,26 4.552,27 4.746,28 3.812,29 3.798,30 5.817,31 3.7,32 4.465,33 4.682,34 3.674,35 3.656,36 5.646,37 3.56,38 4.234,39 4.415,40 3.578,41 3.527,42 5.621,43 3.432,44 4.226,45 4.452,46 3.401,47 3.423,48 5.441,49 3.317,50 4.017,51 4.245,52 3.272,53 3.268,54 5.155,55 3.175,56 0.105,57 0.624,58 9.422,59 3.645,60 18.205,61 4.038,62 0.283,63 0.951,64 14.486,65 6.067,66 47.945,67 7.233,68 0.281,69 1.172,70 19.396,71 7.063,72 38.361,73 7.821,74 0.381,75 1.154,76 24.608,77 8.192,78 54.064,79 9.025,80 0.402,81 0.975,82 22.805,83 7.588,84 68.394,85 9.105,86 0.359,87 0.831,88 16.651,89 6.101,90 60.351,91 7.429,92 0.343,93 0.784,94 16.112,95 5.636,96 50.658,97 7.063,98 0.169,99 0.669,100 15.7,101 5.103,102 23.696,103 6.151,104 26,105 37,106 0.307,107 0.607,108 0.686,109 0.766,110 0.787,111 0.796,112 3.188,113 1.016,114 -2.35,115 -2.39,116 -2.35,119 41,120 2,142 7,144 3,146 4,163 1,164 1,165 1,172 3,174 1,175 4,178 2,180 4,183 3,185 2,187 1,188 9,193 5,196 4,198 2,200 9,203 1,205 2,208 2,213 2,216 1,221 7,224 2,227 2,228 2,229 1,230 1,232 1,233 7,237 2,238 2,243 1,246 2,250 6,255 2,260 2,264 4,269 1,272 2,274 1,276 675,277 14.85,278 14.85,279 14.85,280 14.85,281 14.85,282 12.467,283 12.483,284 8.429,285 15.163,286 12.311,287 12.311,288 12.311,289 12.311,290 12.311,291 8.719,292 8.394,293 4.019,294 12.859,295 3.538,296 1.835,297 1.382,298 0.93,299 0.808,300 0.757,301 3.862,304 1,305 1,306 1,307 488,308 3.24,312 196.476,316 102.431,319 1.44,320 30.504,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 50,332 229,333 4.857,334 4.686,335 7.308,336 4.313,337 3.393,338 4.709,340 12.509,341 3.097,342 4.486,343 3.109,344 6.298,345 3.981,346 3.02,347 4.42,349 9.592,350 2.896,351 3.905,352 2.69,353 5.724,354 3.494,355 2.519,356 3.439,358 7.541,359 2.453,360 3.826,361 2.486,362 5.329,363 3.373,364 2.392,365 3.37,367 6.634,368 2.345,369 3.465,370 2.249,371 5.072,372 3.04,373 2.075,374 2.827,376 6.142,377 1.997,378 3.183,379 1.819,380 4.659,381 2.663,382 1.719,383 2.5,385 4.888,386 1.621,387 3.056,388 1.625,389 4.572,390 2.546,391 1.559,392 2.261,394 4.537,395 1.536,396 2.5,397 1.223,398 3.68,399 2.006,400 1.032,401 1.5,403 2.571,404 1.003,405 2.436,406 1,407 3.414,408 2,409 1,410 1.411,412 2.275,413 1,414 1.546,415 0.54,416 3.236,417 1.189,418 0.229,419 0.287,421 0.572,422 0.219,423 1.137,424 0.321,425 2.715,426 0.777,427 -0.173,428 -0.213,430 -0.414,431 -0.163,432 1.119,433 -0.075,434 2.649,435 0.695,436 -0.262,437 -0.343,439 -0.677,440 -0.25,441 1,442 -0.331,443 2.543,444 0.467,445 -0.493,446 -0.655,448 -1.402,449 -0.472,450 0.879,451 -0.491,452 2.297,454 -1,455 -1.314,457 -2.699,458 -0.976,459 0.5,460 -0.879,461 2,463 -1,464 -1.381,466 -2.89,467 -0.988,468 11.1,469 0.483,470 0.824,471 0.036,472 34.5,473 1.5,474 20,475 0.87,476 14.5,477 0.63,478 15.095,479 0.656,480 24.3,481 0.623,482 24.878,483 1.082,484 6.64,485 0.289,486 4.208,487 0.183,488 0.186,489 0.075,490 0.315,496 0.597,497 1.235,498 0.824,499 1.163,500 0.785,501 0.87,502 0.539,503 1.22,504 0.748,505 0.963,506 0.514,507 0.856,508 1.213,509 1.183,510 1.145,511 1.082,512 1.007,513 1.027,514 1.397,515 1.027,516 1.344,517 1.175,518 1.266,519 1.103,520 1.338,521 0.837,522 0.93,523 0.904,524 1.531,525 0.896,526 0.693,527 1.06,528 1.046,529 1.19,530 0.849,531 1.146,532 1.059,533 0.86,534 0.85,535 0.798,536 1.114,537 0.939,538 0.875,539 1.026,540 1.084,541 1.074,542 0.689,543 0.867,544 7,545 0.103,546 3.556,547 1.813,548 1.72,549 0.833,550 0.504,551 0.349,552 0.254,553 0.137,554 5489,555 16225,556 2.006,557 41,559 7,562 3,563 6,567 1.656,568 1.828,569 3.283,570 1.075,571 1,572 1,574 1,577 68.131,578 1.747,579 3.45,580 3.903,581 4.356,582 4.477,583 4.529,584 2.736,585 4.263,586 4.496,587 3.397,588 859.408,589 7.732,590 9634.06,591 1,592 1,594 1,595 206.131,596 1.72,597 4.418,598 0.28,599 0.01,600 0.096,601 0.049,602 0.057,603 0.032,604 0.021,605 0.017,606 0.013,607 0.009,608 0.586,609 0.5,610 1,611 0.675,612 107.332,613 0.054,614 -0.056,615 0.212,616 -0.037,617 -0.227,618 0.063,619 0.327,620 -0.153,621 0.157,622 0.028,623 0.306,624 0.076,625 -0.205,626 -0.071,627 -0.139,628 -0.082,629 -0.088,630 -0.128,631 -0.235,632 -0.002,633 -0.231,634 -0.127,635 -0.098,636 -0.156,637 -0.114,638 0.048,639 0.08,640 0.086,641 -0.171,642 0.104,643 0.328,644 -0.083,645 -0.047,646 -0.175,647 0.231,648 -0.174,649 0.014,650 0.065,651 0.048,652 0.103,653 -0.034,654 0.031,655 -0.022,656 -0.05,657 0.041,658 -0.006,659 0.104,660 0.156,661 4.587,662 5.382,663 0.696,664 17.467,665 1.011,666 1.124,667 1.125,668 1.266,669 0.696,670 3.258,671 3.638,672 3.85,673 4.06,674 4.317,675 4.357,676 4.369,677 4.477,678 4.533,679 4.454,680 5.706,681 0.663,682 328.43,683 3.258,684 4.828,685 5.673,686 6.567,687 7.431,688 8.324,689 9.194,690 10.087,691 10.96,692 11.854,693 10.3,697 1,698 1,703 2,708 2,709 7,710 2,714 5,716 17,727 1,735 39,737 19,738 2,739 25,741 41,742 16,743 14,744 5,745 7,748 3,749 4,754 2,762 14,763 2,767 2,770 1,772 2,779 1,780 1,783 16,784 6,785 3,786 7,787 1,792 4,797 0.667,798 2,806 1,816 3,820 1,843 2,845 1,847 2,851 23,852 1,855 1,860 1,874 5.1,877 2,881 12.583,882 7.567,883 4.847,884 2.11,886 3.246,887 1.468,888 1.019,889 3.863,890 10.174,891 3.597,892 4.317,893 4.86,894 5.445,895 6.056,896 6.35,897 6.662,898 7.037,899 7.384,900 7.427,901 0.857,902 37,903 8.704,905 3.965,906 7.982,907 15.874,909 13.102,911 2.482,912 57.083,916 153.024,917 106.658,918 82.873,920 44.313,922 5.807,923 100.85,924 197.337,925 82.873,926 17.65,928 105.038,929 94.289,930 16.866,932 153.024,934 153.024,935 183.723,936 44.313,937 5.807,939 153.024,940 44.313,943 27.452,944 106.295,945 55.783,947 153.024,948 127.186,949 106.658,951 5.807,952 153.024,953 16.866,954 83.984,955 16.405,956 110.781,957 153.024,958 127.186,959 106.658,961 0.605,962 0.341,963 0.165,964 0.096,965 19,966 9,967 0.073,968 3,969 1,970 1.125,971 3.434,972 183.981,973 0.125,974 16,975 98.042,980 1,981 15.566,982 5.707,983 3.222,984 1.37,985 127.186,986 11.108,987 8.863,991 2.768,993 49.302,994 386.868,995 35.5,998 -3.671,1000 24.764,1007 39.44,1008 43.823,1009 0.331,1010 0.653,1011 0.738,1012 0.824,1013 0.847,1014 0.857,1015 4.846,1016 1.032,1017 5.727,1018 4.537,1019 4.317,1020 5.004,1022 6.589,1023 4.229,1024 6.134,1025 1,1026 7.335,1027 2.571,1028 4.205,1029 5.198,1031 7.811,1032 4.029,1033 7.512,1034 0.229,1035 9.052,1036 2.275,1037 6.028,1038 7.415,1040 10.818,1041 5.819,1042 8.928,1043 -0.173,1044 10.836,1045 0.572,1046 6.661,1047 8.353,1049 12.849,1050 6.339,1051 10.374,1052 -0.262,1053 12.663,1054 -0.414,1055 8.06,1056 10.136,1058 15.488,1059 7.698,1060 11.843,1061 -0.493,1062 14.522,1063 -0.677,1064 9.012,1065 11.399,1067 17.829,1068 8.533,1069 13.33,1070 -1,1071 16.406,1072 -1.402,1073 10.269,1074 13.024,1076 20.373,1077 9.732,1078 3.393,1079 -1,1080 18.31,1081 -2.699,1082 11.361,1083 14.433,1085 22.826,1086 10.712,1087 3.02,1088 12.509,1089 20.229,1090 -2.89,1091 12.572,1092 15.998,1094 25.348,1095 11.85,1096 2.519,1097 9.592,1098 22.161,1099 4.709,1100 13.725,1101 17.474,1103 27.844,1104 12.897,1105 2.392,1106 7.541,1107 24.103,1108 4.42,1109 14.925,1110 19.016,1112 30.363,1113 14.014,1114 2.075,1115 6.634,1116 26.053,1117 3.439,1118 16.107,1119 20.522,1121 32.875,1122 15.094,1123 1.719,1124 6.142,1125 28.01,1126 3.37,1127 17.307,1128 22.057,1130 35.396,1131 16.204,1132 1.559,1133 4.888,1134 29.973,1135 2.827,1136 18.502,1137 23.578,1139 37.915,1140 17.3,1141 5384,1142 9422,1143 16.008,1144 27.148,1145 38.122,1146 38.999,1147 39.383,1148 37.935,1149 37.876,1150 53.447,1152 114.523,1153 36.335,1154 5.681,1155 6.686,1156 6.722,1157 5.383,1158 5.393,1159 7.709,1161 19.855,1162 5.097,1163 13.266,1164 1.525,1165 1.56,1166 1.575,1167 1.517,1168 1.515,1169 2.138,1171 4.581,1172 1.453,1173 4.121,1174 4.131,1175 4.737,1176 4.083,1177 7.717,1178 4.023,1179 3.995,1180 4.002,1181 4.014,1182 3.924,1183 6.999,1184 3.909,1185 3.675,1186 3.697,1187 3.717,1188 3.571,1189 5.11,1190 3.532,1191 3.512,1192 3.529,1193 3.463,1194 3.426,1195 5.047,1196 3.389,1197 3.13,1198 3.232,1199 2.952,1200 2.925,1201 4.459,1202 2.913,1203 2.959,1204 3.06,1205 2.819,1206 2.774,1207 4.412,1208 2.776,1209 2.894,1210 2.974,1211 2.74,1212 2.739,1213 4.149,1214 2.718,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.817,1220 2.715,1221 0.194,1222 0.187,1223 0.292,1224 0.173,1225 0.136,1226 4.857,1227 0.188,1228 4.686,1230 7.308,1231 0.5,1232 4.313,1233 0.124,1234 3.393,1235 4.709,1237 12.509,1238 3.097,1239 2.022,1240 2.007,1241 2.074,1242 2.133,1243 1.198,1244 2.131,1245 1.936,1246 1.927,1247 1.982,1248 2.016,1249 1.125,1250 2.04,1251 1.596,1252 1.563,1253 1.776,1254 1.752,1255 0.883,1256 1.771,1257 1.409,1258 1.425,1259 1.547,1260 1.569,1261 0.599,1262 1.61,1263 1.149,1264 1.048,1265 1.286,1266 1.41,1267 0.563,1268 1.461,1269 0.916,1270 0.845,1271 1.181,1272 1.217,1273 0.218,1274 1.22,1275 0.9,1276 0.832,1277 1.161,1278 1.105,1279 0.205,1280 1.129,1281 0.886,1282 0.821,1283 1.159,1284 1.062,1285 0.153,1286 1.107,1287 3.932,1289 5.293,1291 6.845,1293 8.479,1295 10.155,1297 3.756,1301 5.581,1305 2.544,1314 25.863,1315 68.131,1316 134.563,1317 152.215,1318 169.866,1319 174.621,1320 176.621,1321 44.562,1322 6.929,1323 97.97,1324 106.35,1325 18,1326 12.384,1327 4.322,1328 3.524,1329 36.936,1330 79,1331 79,1332 0.234,1333 164.949,1334 274.55,1335 394.236,1336 8564,1338 16.613,1339 0.722,1340 0.589,1341 16.863,1342 13.554,1343 10.848,1344 0.434,1345 0.339,1346 7.032,1347 9.744,1348 6.652,1349 5.569,1350 11.669,1351 8.467,1352 10.775,1353 0.291,1354 0.188,1355 12.075,1356 6.955,1357 8.505,1358 0.185,1359 0.107,1360 9.609,1361 4.915,1362 6.58,1363 0.115,1364 0.056,1365 7.602,1366 3.205,1367 5.448,1368 0.074,1369 0.031,1370 6.314,1371 2.283,1372 0.364,1373 75.786,1374 0.25,1375 22.478,1376 0.647,1377 124,1378 377.267,1379 172.043,1380 393.144,1381 535.59,1382 360,1383 145,1384 374.582,1385 201.28,1386 418.764,1387 605.53,1388 391,1389 5.1}
{0 CHEMBL2006276,1 1.584,2 9.48,3 2.718,4 7.387,5 94.534,6 8.107,7 0.643,8 3.846,9 3.958,10 3.488,11 3.402,12 5.036,13 3.409,14 4.315,15 4.452,16 3.835,17 3.769,18 5.486,19 3.762,20 4.57,21 4.735,22 3.984,23 3.936,24 5.718,25 3.918,26 4.646,27 4.838,28 3.903,29 3.917,30 5.811,31 3.873,32 4.633,33 4.841,34 3.776,35 3.889,36 5.718,37 3.826,38 4.514,39 4.728,40 3.653,41 3.766,42 5.623,43 3.681,44 4.411,45 4.641,46 3.451,47 3.603,48 5.444,49 3.511,50 4.207,51 4.432,52 3.268,53 3.382,54 5.298,55 3.308,56 0.059,57 0.621,58 7.082,59 3.284,60 6.632,61 3.891,62 0.188,63 0.958,64 12.766,65 5.428,66 17.945,67 6.552,68 0.272,69 1.236,70 17.481,71 6.811,72 24.548,73 8.449,74 0.403,75 1.263,76 20.71,77 7.757,78 35.938,79 9.778,80 0.353,81 1.193,82 21.768,83 8.049,84 42.747,85 10.098,86 0.359,87 1.061,88 19.221,89 7.639,90 38.679,91 10.176,92 0.279,93 0.954,94 17.937,95 6.601,96 31.568,97 8.814,98 0.264,99 0.771,100 14.843,101 5.234,102 32.489,103 6.705,104 6,105 39,106 0.275,107 0.57,108 0.738,109 0.86,110 0.877,111 0.877,112 3.268,113 0.837,114 -2.54,115 -2.56,116 -2.5,119 46.3,124 1,142 8,143 1,144 6,145 2,158 1,172 4,175 4,178 1,180 8,183 5,188 2,191 1,192 1,193 6,196 1,200 4,203 3,204 1,205 6,208 5,213 3,221 7,224 1,225 4,228 1,229 1,230 2,233 6,238 2,241 1,243 2,246 2,250 3,253 1,255 3,264 2,272 4,276 860,277 17.317,278 17.317,279 17.317,280 17.317,281 17.317,282 14.998,283 26.994,284 10.254,285 17.7,286 13.797,287 13.797,288 13.797,289 13.797,290 13.797,291 10.261,292 48.592,293 4.818,294 14.314,295 3.773,296 2.075,297 1.11,298 0.409,299 0.311,300 0.311,301 3.971,304 1,305 1,306 1,307 521,308 2.449,312 168.416,313 50.698,317 173.271,319 1.462,320 20.918,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 54,332 237,333 4.491,334 3.629,335 6.619,336 4.132,337 3.159,338 4.133,339 1.058,340 10.61,341 3.076,342 4.24,343 3.177,344 6.346,345 3.831,346 2.854,347 3.896,348 0.86,349 9.598,350 2.782,351 3.948,352 2.889,353 5.587,354 3.571,355 2.602,356 3.47,357 0.4,358 7.679,359 2.515,360 3.65,361 2.596,362 5.304,363 3.246,364 2.269,365 3.02,366 0.4,367 6.64,368 2.214,369 3.363,370 2.358,371 5.082,372 2.985,373 2.03,374 2.623,376 5.988,377 1.932,378 3.176,379 2.128,380 4.857,381 2.802,382 1.847,383 2.353,385 5.313,386 1.754,387 2.891,388 1.626,389 4.011,390 2.405,391 1.44,392 2.054,394 3.32,395 1.394,396 2.838,397 1.448,398 3.904,399 2.334,400 1.375,401 1.983,403 3.056,404 1.308,405 2.643,406 1.35,407 3.591,408 2.148,409 1.148,410 1.662,412 2.943,413 1.142,414 2.5,415 1.228,416 3.247,417 1.984,418 1,419 1.5,421 2.136,422 0.983,423 1.86,424 1,425 3.204,426 1.579,427 0.683,428 0.768,430 1.409,431 0.604,432 1.434,433 0.679,434 2.987,435 1.082,436 0.138,437 0.165,439 0.339,440 0.128,441 1.385,442 0.298,443 2.813,444 1.065,445 0.118,446 0.146,448 0.241,449 0.112,450 1.101,451 0.183,452 2.609,453 0.782,454 -0.176,455 -0.216,457 -0.475,458 -0.168,459 0.845,460 -0.145,461 2.265,462 0.414,463 -0.567,464 -0.747,466 -1.22,467 -0.543,468 11.767,469 0.471,470 0.516,471 0.021,472 38.25,473 1.53,474 21.5,475 0.86,476 16.75,477 0.67,478 15.487,479 0.619,480 25.433,481 0.62,482 27.561,483 1.102,484 7.797,485 0.312,486 4.444,487 0.178,488 0.071,490 0.34,496 0.882,497 1.193,498 0.722,499 0.937,500 0.634,501 0.814,502 1,503 1.217,504 0.833,505 0.978,506 0.682,507 0.898,508 1.012,509 1.186,510 0.949,511 1.038,512 0.914,513 0.984,514 1.049,515 0.974,516 1.044,517 1.034,518 1.064,519 1.035,520 1.264,521 0.858,522 1.077,523 0.917,524 1.396,525 0.954,526 0.65,527 0.986,528 0.94,529 1.079,530 0.75,531 1.072,532 0.921,533 1.024,534 1.046,535 1.059,536 1.03,537 1.073,538 1.262,539 0.919,540 1.091,541 0.949,542 1.467,543 0.989,544 4.5,545 0.049,546 2.444,547 1.688,548 1.643,549 0.757,550 0.524,551 0.255,552 0.235,553 0.103,554 6996,555 19649,556 2.154,557 39,559 11,561 2,562 3,567 1.683,568 2.055,569 3.224,570 0.966,571 1,572 1,574 1,577 64.949,578 1.584,579 3.282,580 4.248,581 4.949,582 5.046,583 5.046,584 2.668,585 4.324,586 4.614,587 3.361,588 1008.34,589 7.995,590 11833,591 1,592 1,594 1,595 219.66,596 1.26,597 4.592,598 0.161,599 0.004,600 0.063,601 0.038,602 0.042,603 0.022,604 0.017,605 0.011,606 0.012,607 0.006,608 0.375,609 0.5,610 1,611 0.663,612 118.845,613 -0.103,614 -0.078,615 0.034,616 0.002,617 -0.086,618 0.041,619 -0.051,620 -0.157,621 0.003,622 -0.028,624 -0.013,625 -0.051,626 -0.117,627 -0.066,628 -0.108,629 -0.057,630 -0.093,631 0.022,632 0.037,633 -0.088,634 -0.083,635 0.027,636 -0.101,637 -0.196,638 0.096,639 -0.085,640 0.069,641 -0.171,642 0.028,643 0.222,644 -0.061,645 0.046,646 -0.07,647 0.16,648 -0.051,649 -0.009,650 -0.087,651 -0.03,652 -0.068,653 -0.042,654 -0.056,655 -0.139,656 0.021,657 -0.052,658 0.031,659 -0.124,660 0.006,661 1.829,662 5.517,663 0.84,664 20.848,665 1.009,666 1.12,667 1.308,668 1.711,669 0.695,670 3.367,671 3.689,672 3.989,673 4.277,674 4.543,675 4.682,676 4.836,677 4.984,678 5.106,679 5.22,680 5.659,681 0.675,682 332.39,683 3.367,684 4.905,685 5.765,686 6.648,687 7.523,688 8.413,689 9.296,690 10.19,691 11.076,692 11.972,693 9.8,700 1,701 2,703 1,709 10,710 1,714 7,716 18,723 1,728 2,733 1,735 41,737 19,738 2,739 28,741 44,742 19,743 17,744 6,745 6,746 1,748 4,749 7,762 18,763 1,767 1,772 1,776 1,779 1,780 1,783 16,784 6,785 3,786 6,792 4,797 0.5,798 2,809 1,816 3,817 1,821 2,843 2,847 1,851 25,860 3,861 1,874 4.9,877 1,879 1,881 12.167,882 7.617,883 5.528,884 2.231,886 3.465,887 1.451,888 1.034,889 4.097,890 11.141,891 3.664,892 4.27,893 4.85,894 5.422,895 5.974,896 6.211,897 6.6,898 7.036,899 7.435,900 7.822,901 1,902 44,903 9.187,905 3.924,906 7.753,907 17.362,909 14.122,911 2.253,912 56.333,915 1,916 153.024,917 131.705,918 70.818,920 36.145,923 131.705,924 189.169,925 70.818,926 10.883,927 18.011,928 75.81,929 70.177,930 87.329,932 129.482,934 153.024,935 202.523,936 36.145,939 153.024,940 36.145,943 72.127,944 113.61,945 16.786,947 153.024,948 106.963,949 131.705,952 153.024,953 26.917,954 104.788,955 54.032,956 52.93,957 153.024,958 106.963,959 131.705,961 0.576,962 0.345,963 0.194,964 0.108,965 20,966 8,967 0.068,968 3,969 2,970 1.19,971 3.681,972 216.676,973 0.19,974 21,975 112.096,981 15.633,982 6.551,983 3.073,985 106.963,986 18.286,987 4.005,991 5.147,993 54.032,994 391.692,995 38,1000 12.517,1004 -0.162,1007 41.363,1008 45.903,1009 0.296,1010 0.613,1011 0.793,1012 0.924,1013 0.942,1014 0.942,1015 4.887,1016 1.375,1017 5.74,1018 3.32,1019 4.369,1020 4.956,1021 1.679,1022 6.553,1023 4.303,1024 6.091,1025 1.148,1026 7.294,1027 3.056,1028 3.892,1029 4.677,1031 7.434,1032 3.813,1033 7.395,1034 1,1035 8.948,1036 2.943,1037 5.958,1038 7.136,1039 1.549,1040 10.552,1041 5.835,1042 8.733,1043 0.683,1044 10.662,1045 2.136,1046 6.312,1047 7.66,1049 12.267,1050 6.173,1051 10.102,1052 0.138,1053 12.415,1054 1.409,1055 7.823,1056 9.579,1057 1.534,1058 14.885,1059 7.65,1060 11.492,1061 0.118,1062 14.195,1063 0.339,1064 8.574,1065 10.497,1067 16.952,1068 8.381,1069 12.9,1070 -0.176,1071 15.994,1072 0.241,1073 9.853,1074 12.169,1075 1.558,1076 19.394,1077 9.632,1078 3.159,1079 -0.567,1080 17.807,1081 -0.475,1082 10.799,1083 13.298,1085 21.614,1086 10.555,1087 2.854,1088 10.61,1089 19.632,1090 -1.22,1091 11.981,1092 14.842,1093 1.603,1094 23.991,1095 11.71,1096 2.602,1097 9.598,1098 21.467,1099 4.133,1100 13.022,1101 16.088,1103 26.279,1104 12.726,1105 2.269,1106 7.679,1107 23.308,1108 3.896,1109 14.166,1110 17.565,1111 1.663,1112 28.633,1113 13.845,1114 2.03,1115 6.64,1116 25.156,1117 3.47,1118 15.253,1119 18.878,1121 30.952,1122 14.906,1123 1.847,1124 5.988,1125 27.008,1126 3.02,1127 16.386,1128 20.319,1129 1.734,1130 33.299,1131 16.013,1132 1.44,1133 5.313,1134 28.865,1135 2.623,1136 17.496,1137 21.67,1139 35.633,1140 17.097,1141 6602,1142 11180,1143 19.186,1144 28.5,1145 41.551,1146 42.758,1147 42.677,1148 41.257,1149 41.325,1150 55.546,1151 5.437,1152 118.543,1153 39.887,1154 5.328,1155 5.629,1156 6.421,1157 5.167,1158 5.159,1159 7.133,1160 2.117,1161 17.574,1162 5.076,1163 8.826,1164 1.484,1165 1.527,1166 1.524,1167 1.473,1168 1.476,1169 1.984,1170 0.194,1171 4.234,1172 1.425,1173 4.045,1174 4.075,1175 4.007,1176 3.946,1177 7.429,1178 3.957,1179 3.876,1180 3.915,1181 3.823,1182 3.778,1183 4.942,1184 3.783,1185 3.775,1186 3.803,1187 3.72,1188 3.693,1189 4.877,1190 3.696,1191 3.356,1192 3.396,1193 3.299,1194 3.117,1195 4.676,1196 3.155,1197 3.224,1198 3.286,1199 3.063,1200 2.972,1201 4.398,1202 2.983,1203 3.062,1204 3.142,1205 2.949,1206 2.856,1207 4.087,1208 2.864,1209 2.931,1210 3.018,1211 2.826,1212 2.735,1213 3.91,1214 2.717,1215 2.854,1216 2.925,1217 2.687,1218 2.702,1219 3.822,1220 2.715,1221 0.16,1222 0.13,1223 0.236,1224 0.148,1225 0.113,1226 4.491,1227 0.148,1228 3.629,1229 0.038,1230 6.619,1231 0.379,1232 4.132,1233 0.11,1234 3.159,1235 4.133,1236 1.058,1237 10.61,1238 3.076,1239 1.933,1240 1.906,1241 2.016,1242 2.044,1243 1.132,1244 2.038,1245 1.874,1246 1.851,1247 1.966,1248 1.993,1249 1.069,1250 1.985,1251 1.783,1252 1.747,1253 1.892,1254 1.91,1255 0.927,1256 1.907,1257 1.241,1258 1.199,1259 1.573,1260 1.547,1261 0.575,1262 1.546,1263 1.163,1264 1.099,1265 1.33,1266 1.44,1267 0.331,1268 1.418,1269 1.046,1270 0.978,1271 1.242,1272 1.292,1273 0.297,1274 1.284,1275 0.886,1276 0.821,1277 1.181,1278 1.122,1279 0.218,1280 1.126,1281 0.87,1282 0.798,1283 1.116,1284 1.062,1285 0.165,1286 1.107,1287 4.043,1289 5.361,1291 6.882,1292 2.708,1293 8.494,1294 5.38,1295 10.151,1297 1.604,1305 9.53,1306 5.408,1314 27.676,1315 64.949,1316 134.566,1317 174.15,1318 202.905,1319 206.905,1320 206.905,1321 33.404,1322 7.676,1323 82.8,1324 82.8,1325 25,1326 12.499,1327 4.322,1328 3.459,1329 35.818,1330 84,1331 91,1332 0.21,1333 169.347,1334 290.3,1335 404.967,1336 22648,1338 17.225,1339 0.689,1340 0.541,1341 17.225,1342 13.537,1343 12.242,1344 0.437,1345 0.279,1346 7.686,1347 11.758,1348 7.515,1349 6.256,1350 12.242,1351 7.809,1352 10.815,1353 0.277,1354 0.143,1355 10.815,1356 5.583,1357 9.407,1358 0.177,1359 0.075,1360 9.407,1361 3.987,1362 8.155,1363 0.115,1364 0.039,1365 8.155,1366 2.784,1367 6.76,1368 0.073,1369 0.021,1370 6.76,1371 1.916,1372 0.323,1373 76.867,1374 0.228,1375 23.932,1376 0.599,1377 134,1378 398.115,1379 146.642,1380 387.224,1381 536.99,1382 364,1383 159,1384 402.055,1385 172.06,1386 409.67,1387 597.12,1388 385,1389 5.1}
{0 CHEMBL2006439,1 1.549,2 9.217,3 4.262,4 18.165,5 93.388,6 7.996,7 0.615,8 3.831,9 3.961,10 3.471,11 3.403,12 4.864,13 3.377,14 4.386,15 4.564,16 3.861,17 3.82,18 5.409,19 3.76,20 4.667,21 4.917,22 3.83,23 3.91,24 5.531,25 3.807,26 4.605,27 4.866,28 3.814,29 3.801,30 5.527,31 3.702,32 4.47,33 4.72,34 3.736,35 3.705,36 5.439,37 3.618,38 4.343,39 4.551,40 3.83,41 3.675,42 5.41,43 3.597,44 4.285,45 4.478,46 3.645,47 3.639,48 5.33,49 3.513,50 4.204,51 4.419,52 3.333,53 3.523,54 5.083,55 3.365,56 0.02,57 0.652,58 7.805,59 3.4,60 5.642,61 4.63,62 0.191,63 1.063,64 15.938,65 6.232,66 20.128,67 8.647,68 0.194,69 1.253,70 25.548,71 8.394,72 24.476,73 12.059,74 0.301,75 1.153,76 24.927,77 7.508,78 29.66,79 10.995,80 0.245,81 1.022,82 22.069,83 6.291,84 28.691,85 8.99,86 0.266,87 0.896,88 20.798,89 5.608,90 26.089,91 7.646,92 0.292,93 0.787,94 23.158,95 6.06,96 30.164,97 7.915,98 0.144,99 0.715,100 20.14,101 6.164,102 19.531,103 8.26,104 2,105 36,106 0.272,107 0.628,108 0.748,109 0.822,110 0.846,111 0.846,112 3.189,113 0.97,114 -4.66,115 -4.58,116 -4.31,119 41.5,121 5,127 1,142 3,143 2,145 1,146 1,147 1,150 1,151 1,161 1,172 7,174 1,175 6,178 3,180 4,183 8,188 3,193 3,196 4,200 7,203 1,205 6,208 2,212 1,213 7,218 1,221 2,225 3,228 1,229 1,230 2,233 7,237 1,238 2,241 1,243 1,246 9,255 2,258 7,264 2,269 2,272 5,276 697,277 15.947,278 15.947,279 15.947,280 15.947,281 15.947,282 14.104,283 11.088,284 9.606,285 16.397,286 12.909,287 12.909,288 12.909,289 12.909,290 12.909,291 10.129,292 19.407,293 4.634,294 13.707,295 3.809,296 1.775,297 1.091,298 0.671,299 0.537,300 0.537,301 3.892,303 1,305 1,306 1,307 473,308 2.121,311 44.327,312 194.788,315 84.619,319 1.444,320 16.13,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 48.833,332 212,333 4.6,334 3.205,335 6.714,336 4.141,337 3.167,338 4.535,339 0.4,340 10.928,341 3.088,342 4.151,343 2.974,344 5.871,345 3.688,346 2.766,347 3.816,349 8.373,350 2.558,351 3.632,352 2.707,353 5.528,354 3.448,355 2.487,356 2.958,358 7.367,359 2.38,360 3.467,361 2.345,362 5.173,363 3.069,364 2.144,365 2.652,367 6.345,368 1.976,369 3.182,370 2.105,371 4.718,372 2.774,373 1.902,374 2.321,376 5.198,377 1.602,378 3.046,379 1.547,380 4.502,381 2.513,382 1.547,383 2.314,385 4.234,386 1.489,387 2.917,388 1.501,389 4.005,390 2.4,391 1.455,392 2.108,394 3.447,395 1.352,396 2.527,397 1.408,398 3.587,399 2.351,400 1.38,401 1.54,403 3.017,404 1.321,405 2.427,406 1.035,407 3.563,408 2,409 1.027,410 1.425,412 2.557,413 1,414 2,415 1,416 3.247,417 1.988,418 1,419 1,421 2.136,422 0.981,423 1.973,424 0.495,425 3.094,426 1.428,427 0.488,428 0.721,430 1.178,431 0.457,432 1.175,433 0.222,434 2.869,435 0.94,441 0.948,442 0.145,443 2.554,444 0.407,445 -0.398,446 -0.503,448 -1.011,449 -0.248,450 0.733,451 -0.554,452 2.24,453 0.342,454 -0.595,455 -0.75,457 -1.573,458 -0.559,459 0.654,460 -0.705,461 2,462 0.143,463 -0.807,464 -0.961,466 -1.924,467 -0.736,468 11.214,469 0.488,470 0.465,471 0.02,472 30.25,473 1.315,474 14.5,475 0.63,476 15.75,477 0.685,478 18.585,479 0.808,480 24.186,481 0.59,482 18.376,483 0.799,484 5.35,485 0.233,486 5.943,487 0.258,488 0.064,490 0.312,496 0.834,497 1.36,498 0.624,499 0.954,500 0.674,501 0.883,502 0.563,503 1.117,504 0.696,505 1.04,506 0.467,507 1.012,508 0.914,509 1.101,510 0.77,511 0.918,512 0.782,513 0.907,514 0.824,515 1.006,516 0.702,517 0.855,518 0.732,519 0.846,520 1.281,521 0.958,522 0.911,523 0.763,524 1.228,525 0.797,526 1.456,527 0.996,528 1.281,529 0.931,530 1.529,531 0.922,532 1.671,533 0.879,534 1.971,535 1.288,536 1.812,537 1.241,538 1.271,539 1.066,540 1.666,541 1.37,542 1.398,543 1.298,544 4,545 0.021,546 1.778,547 1.569,548 0.912,549 0.451,550 0.554,551 0.219,552 0.14,553 0.044,554 5897,555 14170,556 2.196,557 43.9,558 6,559 4,560 1,561 1,562 2,564 4,567 1.659,568 2.123,569 3.2,570 0.321,572 1,577 63.504,578 1.549,579 3.582,580 4.267,581 4.687,582 4.821,583 4.821,584 2.666,585 4.263,586 4.496,587 3.317,588 839.316,589 7.75,590 9385.84,592 1,594 1,595 219.66,596 1.121,597 4.483,598 0.154,599 0.002,600 0.049,601 0.046,602 0.029,603 0.016,604 0.019,605 0.01,606 0.008,607 0.003,608 0.336,609 0.33,610 1,611 0.393,612 106.676,613 -0.069,614 -0.166,615 0.027,616 -0.016,617 0.027,618 0.024,619 0.27,620 -0.003,621 0.035,622 -0.102,623 0.321,624 -0.084,625 -0.04,626 -0.127,627 0.072,628 0.035,629 0.064,630 0.067,631 0.148,632 -0.032,633 0.174,634 0.081,635 0.187,636 0.116,637 -0.129,638 0.056,639 0.071,640 0.165,641 -0.096,642 0.138,643 -0.05,644 0.058,645 -0.003,646 0.044,647 -0.118,649 -0.19,650 0.115,651 -0.375,652 -0.216,653 -0.271,654 -0.269,655 -0.209,656 -0.154,657 -0.324,658 -0.282,659 -0.265,660 -0.268,661 1.216,662 2.108,663 0.913,664 17.361,665 1,666 1.13,667 3.431,668 11.771,669 0.688,670 3.296,671 3.611,672 3.892,673 4.205,674 4.407,675 4.466,676 4.595,677 4.745,678 4.736,679 4.812,680 5.481,681 0.649,682 327.85,683 3.296,684 4.828,685 5.68,686 6.561,687 7.43,688 8.318,689 9.195,690 10.088,691 10.969,692 11.864,693 12.2,698 1,701 1,703 3,708 2,709 5,710 3,711 1,714 4,716 16,728 1,734 1,735 41,737 16,739 26,741 44,742 17,743 11,748 4,749 5,750 1,757 6,760 6,762 11,763 6,780 1,783 18,784 4,785 2,786 6,787 1,792 5,797 0.75,809 1,810 1,811 1,815 1,816 3,819 1,843 3,848 1,851 23,858 5,860 1,863 1,873 1,881 10.833,882 7.243,883 5,884 2.72,886 3.215,887 1.441,888 1.026,889 4.085,890 10.498,891 3.555,892 4.171,893 4.795,894 5.449,895 5.979,896 6.336,897 6.784,898 7.243,899 7.441,900 7.812,901 1,902 34,903 8.488,905 3.639,906 7.541,907 16.622,909 14.073,911 2.041,912 46.944,915 1,916 188.338,917 74.398,918 85.153,919 39.149,923 74.398,924 227.486,925 85.153,927 12.673,928 37.476,929 81.854,930 34.348,931 55.891,932 164.795,934 188.338,935 159.551,937 39.149,939 141.253,940 47.084,943 44.877,944 46.306,945 68.367,946 39.149,947 188.338,948 85.153,949 113.546,952 188.338,953 27.874,954 46.524,955 34.796,956 89.505,957 188.338,958 85.153,959 113.546,961 0.575,962 0.332,963 0.194,964 0.105,965 19,966 7,967 0.068,968 3,969 1,970 1.095,971 3.617,972 189.721,973 0.095,974 21,975 100.042,981 14.766,982 6.363,983 3.133,984 1.88,985 68.367,986 9.428,987 13.319,988 3.172,991 2.857,993 34.796,994 387.037,995 34,1007 41.018,1008 46.342,1009 0.289,1010 0.669,1011 0.796,1012 0.875,1013 0.9,1014 0.9,1015 4.779,1016 1.38,1017 5.645,1018 3.447,1019 4.29,1020 4.856,1021 0.278,1022 6.441,1023 4.179,1024 5.971,1025 1.027,1026 7.182,1027 3.017,1028 3.761,1029 4.62,1031 7.273,1032 3.561,1033 7.27,1034 1,1035 8.819,1036 2.557,1037 5.855,1038 7.09,1039 0.05,1040 10.411,1041 5.656,1042 8.608,1043 0.488,1044 10.518,1045 2.136,1046 6.176,1047 7.756,1049 12.135,1050 5.923,1051 9.984,1053 12.26,1054 1.178,1055 7.711,1056 9.669,1057 0.008,1058 14.771,1059 7.446,1060 11.387,1061 -0.398,1062 14.033,1064 8.45,1065 10.775,1067 16.875,1068 8.154,1069 12.812,1070 -0.595,1071 15.829,1072 -1.011,1073 9.745,1074 12.449,1075 0.001,1076 19.343,1077 9.43,1078 3.167,1079 -0.807,1080 17.643,1081 -1.573,1082 10.691,1083 13.767,1085 21.61,1086 10.354,1087 2.766,1088 10.928,1089 19.472,1090 -1.924,1091 11.884,1092 15.338,1094 24.023,1095 11.527,1096 2.487,1097 8.373,1098 21.313,1099 4.535,1100 12.93,1101 16.755,1103 26.359,1104 12.555,1105 2.144,1106 7.367,1107 23.163,1108 3.816,1109 14.084,1110 18.285,1112 28.753,1113 13.689,1114 1.902,1115 6.345,1116 25.022,1117 2.958,1118 15.179,1119 19.748,1121 31.119,1122 14.766,1123 1.547,1124 5.198,1125 26.888,1126 2.652,1127 16.32,1128 21.261,1130 33.509,1131 15.888,1132 1.455,1133 4.234,1134 28.759,1135 2.321,1136 17.439,1137 22.747,1139 35.888,1140 16.988,1141 5496,1142 8708,1143 18.087,1144 28.216,1145 39.075,1146 39.02,1147 39.279,1148 38.957,1149 38.73,1150 50.777,1151 0.8,1152 109.559,1153 36.412,1154 5.6,1155 5.205,1156 6.516,1157 5.216,1158 5.167,1159 7.535,1160 0.8,1161 18.109,1162 5.088,1163 5.786,1164 1.503,1165 1.501,1166 1.511,1167 1.498,1168 1.49,1169 1.953,1170 0.031,1171 4.214,1172 1.4,1173 4.124,1174 4.164,1175 4.113,1176 4.014,1177 5.139,1178 4.029,1179 3.891,1180 3.952,1181 3.918,1182 3.757,1183 5.006,1184 3.751,1185 3.744,1186 3.793,1187 3.711,1188 3.605,1189 4.513,1190 3.617,1191 3.368,1192 3.433,1193 3.352,1194 3.218,1195 4.356,1196 3.223,1197 3.205,1198 3.287,1199 3.229,1200 3.018,1201 4.239,1202 3.012,1203 3.111,1204 3.206,1205 2.983,1206 2.941,1207 3.941,1208 2.91,1209 2.874,1210 2.943,1211 2.866,1212 2.666,1213 3.766,1214 2.692,1215 2.785,1216 2.86,1217 2.743,1218 2.597,1219 3.557,1220 2.6,1221 0.177,1222 0.123,1223 0.258,1224 0.159,1225 0.122,1226 4.6,1227 0.174,1228 3.205,1229 0.015,1230 6.714,1231 0.42,1232 4.141,1233 0.119,1234 3.167,1235 4.535,1236 0.4,1237 10.928,1238 3.088,1239 1.91,1240 1.879,1241 2.094,1242 2.051,1243 1.476,1244 2.063,1245 1.865,1246 1.812,1247 1.967,1248 1.999,1249 1.082,1250 1.994,1251 1.72,1252 1.675,1253 1.791,1254 1.899,1255 0.847,1256 1.88,1257 1.386,1258 1.322,1259 1.544,1260 1.622,1261 0.825,1262 1.608,1263 1.19,1264 1.111,1265 1.513,1266 1.417,1267 0.783,1268 1.441,1269 1.153,1270 1.064,1271 1.457,1272 1.376,1273 0.496,1274 1.429,1275 0.998,1276 0.951,1277 1.161,1278 1.146,1279 0.274,1280 1.159,1281 0.738,1282 0.663,1283 1.005,1284 0.99,1285 0.078,1286 1.013,1287 3.97,1289 5.283,1290 2.398,1291 6.795,1292 4.727,1293 8.396,1294 6.843,1295 10.043,1298 6.219,1303 6.186,1305 3.44,1308 0.444,1314 26.622,1315 63.504,1316 146.877,1317 174.931,1318 192.15,1319 197.66,1320 197.66,1321 27.326,1322 7.283,1323 66.49,1324 66.49,1325 23,1326 12.392,1327 4.087,1328 3.17,1329 31.789,1330 75,1331 75,1332 0.208,1333 166.079,1334 272.25,1335 396.993,1336 14057,1337 2.4,1338 15.648,1339 0.68,1340 0.586,1341 16.148,1342 13.475,1343 11.293,1344 0.434,1345 0.323,1346 7.978,1347 10.678,1348 7.826,1349 6.469,1350 11.582,1351 8.408,1352 10.128,1353 0.281,1354 0.177,1355 10.536,1356 6.368,1357 8.462,1358 0.176,1359 0.095,1360 8.698,1361 4.554,1362 7.603,1363 0.115,1364 0.052,1365 7.921,1366 3.401,1367 6.017,1368 0.074,1369 0.029,1370 6.249,1371 2.324,1372 0.32,1373 73.065,1374 0.235,1375 22.408,1376 0.586,1377 124,1378 319.804,1379 149.994,1380 346.982,1381 479.46,1382 326,1383 146,1384 345.905,1385 165.584,1386 360.073,1387 531.27,1388 341,1389 5.8}
{0 CHEMBL2006450,1 1.648,2 9.913,3 3.513,4 12.338,5 91.01,6 8.221,7 0.64,8 3.788,9 3.91,10 3.436,11 3.363,12 4.915,13 3.34,14 4.296,15 4.465,16 3.807,17 3.736,18 5.427,19 3.685,20 4.523,21 4.743,22 3.79,23 3.813,24 5.564,25 3.737,26 4.469,27 4.68,28 3.818,29 3.771,30 5.591,31 3.697,32 4.456,33 4.667,34 3.751,35 3.719,36 5.578,37 3.638,38 4.376,39 4.585,40 3.833,41 3.621,42 5.614,43 3.557,44 4.239,45 4.446,46 3.563,47 3.51,48 5.382,49 3.409,50 4.119,51 4.329,52 3.34,53 3.371,54 5.25,55 3.26,56 0.037,57 0.6,58 7.05,59 3.312,60 5.798,61 4.301,62 0.204,63 0.935,64 14.232,65 5.771,66 21.386,67 7.778,68 0.257,69 1.072,70 21.579,71 7.306,72 36.119,73 9.797,74 0.28,75 1.004,76 19.909,77 6.936,78 37.208,79 9.347,80 0.26,81 0.961,82 21.768,83 6.836,84 36.245,85 8.894,86 0.412,87 0.875,88 21.465,89 5.959,90 49.539,91 7.646,92 0.298,93 0.752,94 20.39,95 5.631,96 33.026,97 7.289,98 0.233,99 0.65,100 17.105,101 5.124,102 29.33,103 6.652,104 15,105 34,106 0.29,107 0.674,108 0.838,109 0.891,110 0.891,111 0.891,112 3.188,113 0.954,114 -4.32,115 -4.25,116 -4.01,119 42.5,120 1,121 3,142 4,143 3,145 1,147 2,151 1,158 1,161 1,172 9,175 6,178 3,180 4,183 9,188 4,193 4,196 6,199 1,200 5,205 7,208 6,213 6,218 2,221 5,225 5,228 1,229 1,230 2,233 6,237 1,238 4,241 1,243 1,246 7,250 1,253 1,255 1,258 6,263 1,264 2,269 1,272 6,276 735,277 15.662,278 15.662,279 15.662,280 15.662,281 15.662,282 13.665,283 9.653,284 9.543,285 16.024,286 12.357,287 12.357,288 12.357,289 12.357,290 12.357,291 9.291,292 12.39,293 4.535,294 12.978,295 3.674,296 1.501,297 0.569,298 0.269,299 0.269,300 0.269,301 3.87,303 1,304 1,305 1,306 1,307 486,308 3.162,311 46.651,312 132.167,315 88.683,319 1.49,320 20.677,321 1,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 49.333,332 228,333 4.601,334 3.592,335 6.714,336 4.148,337 3.167,338 4.535,339 1.907,340 10.927,341 3.11,342 4.156,343 3.192,344 5.865,345 3.691,346 2.751,347 3.82,348 0.149,349 8.333,350 2.592,351 3.706,352 2.942,353 5.449,354 3.377,355 2.388,356 3.003,358 7.071,359 2.355,360 3.501,361 2.391,362 5.016,363 3.047,364 2.121,365 2.805,367 5.958,368 1.962,369 3.194,370 2.198,371 4.631,372 2.753,373 1.846,374 2.401,376 4.979,377 1.585,378 3.046,379 1.565,380 4.5,381 2.513,382 1.547,383 2.319,385 4.229,386 1.49,387 2.916,388 1.547,389 4.004,390 2.398,391 1.443,392 2.109,394 3.444,395 1.356,396 2.525,397 1.465,398 3.564,399 2.346,400 1.346,401 1.537,403 2.567,404 1.334,405 2.439,406 1.039,407 3.369,408 1.994,409 1.027,410 1.418,412 2.477,413 0.988,414 1.973,415 0.741,416 3.094,417 1.432,418 0.489,419 0.721,421 1.178,422 0.46,423 1.313,424 0.498,425 2.76,426 1.237,427 0.245,428 0.254,430 0.404,431 0.241,432 1.181,433 0.349,434 2.552,435 0.767,436 -0.227,437 -0.29,439 -0.563,440 -0.216,441 0.947,442 0.203,443 2.247,444 0.431,445 -0.409,446 -0.517,448 -1.039,449 -0.267,450 0.723,451 -0.434,452 2,453 0.236,454 -0.668,455 -0.872,457 -1.717,458 -0.61,459 0.649,460 -0.618,461 2,462 0.131,463 -0.842,464 -1.124,466 -1.806,467 -0.816,468 11.148,469 0.485,470 0.503,471 0.022,472 31,473 1.348,474 16,475 0.696,476 15,477 0.652,478 17.3,479 0.752,480 24.252,481 0.606,482 20.654,483 0.898,484 5.855,485 0.255,486 5.314,487 0.231,488 0.139,490 0.314,496 0.73,497 1.305,498 0.619,499 0.939,500 0.576,501 0.876,502 0.503,503 1.118,504 0.653,505 0.992,506 0.498,507 0.954,508 1.072,509 1.011,510 0.816,511 0.848,512 1.102,513 0.858,514 0.894,515 1.036,516 0.747,517 0.9,518 0.968,519 0.894,520 1.342,521 1.089,522 1.084,523 0.981,524 1.369,525 0.965,526 1.295,527 0.929,528 1.082,529 0.892,530 1.382,531 0.87,532 1.276,533 0.939,534 1.526,535 1.156,536 1.135,537 1.105,538 1.29,539 1.007,540 1.398,541 1.155,542 1.335,543 1.129,544 4.5,545 0.053,546 2,547 1.757,548 1.001,549 0.556,550 0.536,551 0.262,552 0.222,553 0.085,554 5428,555 15438,556 2.067,557 42.5,558 7,559 4,560 1,561 1,562 2,563 2,567 1.659,568 1.944,569 3.269,570 0.321,572 1,574 1,577 65.903,578 1.648,579 3.821,580 4.753,581 5.053,582 5.053,583 5.053,584 2.752,585 4.437,586 4.49,587 3.394,588 858.609,589 7.744,590 9703.3,591 1,592 1,593 1,594 1,595 212.877,596 1.371,597 4.458,598 0.18,599 0.006,600 0.059,601 0.053,602 0.031,603 0.019,604 0.019,605 0.012,606 0.012,607 0.007,608 0.398,609 0.17,610 1,611 1.563,612 107.374,613 -0.069,614 -0.129,615 0.014,616 -0.01,617 -0.042,618 0.018,619 0.239,620 -0.023,621 0.082,622 -0.052,623 0.143,624 -0.024,625 -0.123,626 -0.013,627 0.04,628 0.104,629 -0.105,630 0.103,631 0.067,632 -0.038,633 0.116,634 0.058,635 0.051,636 0.066,637 -0.185,638 -0.108,639 -0.042,640 -0.008,641 -0.133,642 -0.011,643 0.074,644 0.077,645 0.107,646 0.072,647 0.026,648 0.057,649 -0.067,650 0.046,651 -0.187,652 -0.144,653 -0.066,654 -0.144,655 -0.099,656 -0.059,657 -0.191,658 -0.142,659 -0.079,660 -0.153,661 1.715,662 4.882,663 0.652,664 19.085,665 1.006,666 1.126,667 3.085,668 9.519,669 0.692,670 3.258,671 3.555,672 3.807,673 4.111,674 4.29,675 4.382,676 4.489,677 4.615,678 4.554,679 4.585,680 5.698,681 0.658,682 328.83,683 3.258,684 4.779,685 5.617,686 6.494,687 7.356,688 8.244,689 9.117,690 10.012,691 10.892,692 11.789,693 10,700 1,701 1,703 2,708 2,709 6,710 2,711 1,714 4,716 16,734 1,735 40,737 17,739 25,741 42,742 17,743 12,748 3,749 4,750 1,754 1,760 3,762 13,763 4,767 1,772 1,776 1,779 1,780 1,783 17,784 4,785 2,786 6,787 1,792 4,797 0.667,798 1,809 2,811 1,815 1,816 2,819 1,829 1,843 2,847 1,848 1,851 23,858 3,860 1,873 1,874 2.5,877 1,881 11.833,882 7.46,883 5.167,884 2.6,886 3.277,887 1.469,888 0.997,889 4.819,890 10.261,891 3.555,892 4.171,893 4.778,894 5.44,895 5.967,896 6.337,897 6.78,898 7.244,899 7.422,900 7.798,901 0.857,902 33,903 8.468,905 3.545,906 7.773,907 16.112,909 12.971,911 2.273,912 52.278,915 1,916 176.567,917 93.192,918 68.367,919 39.149,920 25.145,923 93.192,924 240.86,925 68.367,926 8.825,927 25.614,928 46.952,929 76.907,930 34.777,931 56.319,932 153.024,934 176.567,935 161.56,936 25.145,937 39.149,939 176.567,940 25.145,943 61.988,944 66.001,945 33.571,946 39.149,947 176.567,948 93.512,949 132.341,952 176.567,953 28.367,954 64.825,955 34.796,956 97.865,957 176.567,958 93.512,959 132.341,961 0.566,962 0.322,963 0.185,964 0.101,965 16,966 7,967 0.119,968 5,969 1,970 1.133,971 3.531,972 180.62,973 0.133,974 15,975 104.042,981 15.816,982 7.008,983 3.646,984 1.807,985 76.727,986 11.093,987 8.46,988 3.132,991 2.662,993 34.796,994 402.42,995 34,1000 11.882,1004 -0.048,1007 40.243,1008 45.053,1009 0.31,1010 0.718,1011 0.893,1012 0.949,1013 0.949,1014 0.949,1015 4.762,1016 1.346,1017 5.587,1018 3.444,1019 4.234,1020 4.856,1021 1.953,1022 6.382,1023 4.146,1024 5.971,1025 1.027,1026 7.127,1027 2.567,1028 3.761,1029 4.677,1030 1.593,1031 7.235,1032 3.621,1033 7.277,1034 0.489,1035 8.768,1036 2.477,1037 5.796,1038 7.107,1039 2.904,1040 10.365,1041 5.645,1042 8.623,1043 0.245,1044 10.472,1045 1.178,1046 6.155,1047 7.79,1048 3.032,1049 12.099,1050 5.98,1051 10.002,1052 -0.227,1053 12.217,1054 0.404,1055 7.654,1056 9.685,1057 4.037,1058 14.739,1059 7.46,1060 11.408,1061 -0.409,1062 13.992,1063 -0.563,1064 8.42,1065 10.793,1066 4.409,1067 16.851,1068 8.214,1069 12.833,1070 -0.668,1071 15.791,1072 -1.039,1073 9.695,1074 12.46,1075 5.25,1076 19.324,1077 9.468,1078 3.167,1079 -0.842,1080 17.608,1081 -1.717,1082 10.659,1083 13.776,1084 5.75,1085 21.596,1086 10.422,1087 2.751,1088 10.927,1089 19.44,1090 -1.806,1091 11.844,1092 15.345,1093 6.501,1094 24.011,1095 11.588,1096 2.388,1097 8.333,1098 21.284,1099 4.535,1100 12.902,1101 16.761,1102 7.068,1103 26.35,1104 12.635,1105 2.121,1106 7.071,1107 23.137,1108 3.82,1109 14.053,1110 18.289,1111 7.771,1112 28.747,1113 13.77,1114 1.846,1115 5.958,1116 24.999,1117 3.003,1118 15.154,1119 19.751,1120 8.374,1121 31.114,1122 14.859,1123 1.547,1124 4.979,1125 26.867,1126 2.805,1127 16.296,1128 21.264,1129 9.051,1130 33.506,1131 15.985,1132 1.443,1133 4.229,1134 28.741,1135 2.401,1136 17.419,1137 22.749,1138 9.674,1139 35.886,1140 17.095,1141 5372,1142 9206,1143 16.701,1144 27.665,1145 36.912,1146 37.816,1147 38.091,1148 36.929,1149 36.74,1150 49.845,1151 4.112,1152 103.136,1153 34.944,1154 5.477,1155 5.592,1156 6.579,1157 5.193,1158 5.167,1159 7.535,1160 3.306,1161 18.109,1162 5.058,1163 10.52,1164 1.476,1165 1.513,1166 1.524,1167 1.477,1168 1.47,1169 1.994,1170 0.164,1171 4.125,1172 1.398,1173 4.129,1174 4.166,1175 4.117,1176 4.031,1177 7.429,1178 4.042,1179 3.844,1180 3.887,1181 3.921,1182 3.709,1183 5.1,1184 3.722,1185 3.698,1186 3.754,1187 3.608,1188 3.566,1189 4.986,1190 3.555,1191 3.397,1192 3.458,1193 3.374,1194 3.227,1195 4.405,1196 3.233,1197 3.341,1198 3.403,1199 3.276,1200 3.149,1201 4.311,1202 3.154,1203 2.966,1204 3.057,1205 3.128,1206 2.813,1207 4.138,1208 2.793,1209 2.888,1210 2.945,1211 2.81,1212 2.688,1213 3.944,1214 2.711,1215 2.731,1216 2.789,1217 2.622,1218 2.522,1219 3.747,1220 2.522,1221 0.184,1222 0.144,1223 0.269,1224 0.166,1225 0.127,1226 4.601,1227 0.181,1228 3.592,1229 0.076,1230 6.714,1231 0.437,1232 4.148,1233 0.124,1234 3.167,1235 4.535,1236 1.907,1237 10.927,1238 3.11,1239 1.929,1240 1.907,1241 1.999,1242 2.027,1243 1.267,1244 2.019,1245 1.787,1246 1.747,1247 1.972,1248 1.958,1249 1.128,1250 1.949,1251 1.707,1252 1.649,1253 1.859,1254 1.874,1255 0.908,1256 1.893,1257 1.409,1258 1.346,1259 1.624,1260 1.65,1261 0.772,1262 1.639,1263 1.307,1264 1.244,1265 1.523,1266 1.545,1267 0.536,1268 1.552,1269 1.01,1270 0.957,1271 1.23,1272 1.225,1273 0.302,1274 1.243,1275 0.933,1276 0.869,1277 1.141,1278 1.124,1279 0.259,1280 1.139,1281 0.702,1282 0.639,1283 1.025,1284 0.929,1285 0.152,1286 0.967,1287 3.932,1289 5.231,1290 2.398,1291 6.723,1292 4.727,1293 8.311,1294 6.843,1295 9.953,1297 2.05,1298 6.118,1303 2.314,1305 2.808,1314 26.316,1315 65.903,1316 152.838,1317 190.122,1318 202.122,1319 202.122,1320 202.122,1321 35.504,1322 6.985,1323 70.67,1324 70.67,1325 17,1326 12.317,1327 4.17,1328 3.322,1329 36.794,1330 77,1331 96,1332 0.236,1333 167.747,1334 279.76,1335 401.063,1336 9279,1337 2.5,1338 16.234,1339 0.706,1340 0.588,1341 16.734,1342 13.522,1343 11.169,1344 0.447,1345 0.318,1346 7.52,1347 10.543,1348 7.315,1349 6.114,1350 11.458,1351 7.948,1352 9.871,1353 0.29,1354 0.168,1355 10.279,1356 5.705,1357 7.857,1358 0.179,1359 0.086,1360 8.093,1361 3.775,1362 6.949,1363 0.116,1364 0.044,1365 7.267,1366 2.662,1367 5.356,1368 0.074,1369 0.023,1370 5.587,1371 1.682,1372 0.365,1373 72.492,1374 0.245,1375 22.513,1376 0.658,1377 118,1378 347.895,1379 144.044,1380 371.439,1381 500.08,1382 346,1383 137,1384 349.006,1385 155.913,1386 363.544,1387 531.09,1388 343,1389 5.5}
{0 CHEMBL2006456,1 1.488,2 12.357,3 4.359,4 19.003,5 115.233,6 7.254,7 0.516,8 4.095,9 4.238,10 3.644,11 3.627,12 5.079,13 3.586,14 4.67,15 4.872,16 4.03,17 4.047,18 5.615,19 3.973,20 4.973,21 5.231,22 4.025,23 4.178,24 5.797,25 4.057,26 5.021,27 5.315,28 4.002,29 4.13,30 5.821,31 3.996,32 4.893,33 5.164,34 3.958,35 4.084,36 5.722,37 3.954,38 4.858,39 5.109,40 4.026,41 4.085,42 5.743,43 3.952,44 4.864,45 5.135,46 3.859,47 4.027,48 5.71,49 3.849,50 4.706,51 4.988,52 3.618,53 3.843,54 5.474,55 3.672,56 0.049,57 0.856,58 12.243,59 4.733,60 9.078,61 6.94,62 0.267,63 1.376,64 24.101,65 8.446,66 26.31,67 12.48,68 0.271,69 1.655,70 35.015,71 10.957,72 31.508,73 16.762,74 0.463,75 1.614,76 38.793,77 11.002,78 41.349,79 17.271,80 0.329,81 1.464,82 33.834,83 10.428,84 35.172,85 15.681,86 0.355,87 1.398,88 34.802,89 10.251,90 35.147,91 15.146,92 0.445,93 1.288,94 38.87,95 11.182,96 42.818,97 16.047,98 0.254,99 1.107,100 32.037,101 9.306,102 30.177,103 13.67,104 13,105 43,106 0.246,107 0.6,108 0.781,109 0.814,110 0.838,111 0.838,112 3.374,113 1.009,114 -4.79,115 -4.7,116 -4.42,119 38.2,120 2,121 4,122 1,125 1,127 2,142 3,143 2,145 1,146 1,147 1,150 1,151 1,161 1,172 7,174 1,175 6,178 3,180 7,183 7,188 3,193 7,196 4,200 7,203 1,205 5,208 4,212 1,213 7,217 1,218 1,221 8,225 1,228 1,229 1,230 2,233 11,237 1,238 2,241 3,243 2,246 9,255 4,258 4,264 4,269 5,272 4,276 1298,277 18.963,278 18.963,279 18.963,280 18.963,281 18.963,282 17.121,283 18.994,284 11.3,285 19.472,286 15.358,287 15.358,288 15.358,289 15.358,290 15.358,291 12.578,292 31.907,293 5.449,294 16.254,295 4.293,296 2.156,297 1.059,298 0.864,299 0.718,300 0.718,301 4.073,303 1,305 1,306 1,307 754,308 3.162,311 60.822,312 261.794,315 115.05,319 1.954,320 20.094,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 59.333,332 346,333 4.6,334 3.205,335 6.714,336 4.141,337 3.167,338 4.535,339 0.4,340 10.928,341 3.088,342 4.151,343 2.978,344 5.872,345 3.716,346 2.782,347 3.816,348 0.4,349 8.379,350 2.624,351 3.691,352 2.794,353 5.573,354 3.567,355 2.615,356 2.959,358 7.532,359 2.461,360 3.541,361 2.556,362 5.35,363 3.285,364 2.325,365 2.7,367 6.891,368 2.235,369 3.364,370 2.333,371 5.09,372 3.114,373 2.153,374 2.515,376 6.166,377 2.074,378 3.175,379 2.168,380 4.703,381 2.979,382 2.058,383 2.319,385 5.175,386 1.875,387 3.046,388 1.964,389 4.594,390 2.691,391 1.8,392 2.222,394 4.977,395 1.535,396 2.982,397 1.547,398 4.501,399 2.513,400 1.547,401 2.118,403 4.231,404 1.489,405 2.9,406 1.457,407 4.004,408 2.374,409 1.435,410 1.977,412 3.444,413 1.322,414 2.524,415 1.038,416 3.564,417 2,418 1.029,419 1.536,421 2.559,422 1,423 2,424 1,425 3.414,426 1.989,427 1,428 1,430 2.275,431 0.982,432 1.973,433 0.884,434 3.101,435 1.601,436 0.662,437 0.722,439 1.48,440 0.62,441 1.675,442 0.495,443 3.092,444 1.428,445 0.488,446 0.666,448 1.178,449 0.457,450 1.197,451 0.256,452 2.824,453 1.001,454 0.061,455 0.066,457 0.161,458 0.057,459 0.95,460 0.195,461 2.555,462 0.473,463 -0.389,464 -0.484,466 -0.99,467 -0.247,468 13.614,469 0.486,470 0.677,471 0.024,472 33.25,473 1.188,474 14.5,475 0.518,476 18.75,477 0.67,478 27.647,479 0.987,480 30.786,481 0.56,482 21.317,483 0.761,484 5.759,485 0.206,486 7.821,487 0.279,488 0.126,490 0.331,496 0.894,497 1.452,498 0.719,499 1.062,500 0.796,501 0.99,502 0.679,503 1.165,504 0.744,505 1.041,506 0.526,507 1.01,508 0.989,509 1.194,510 0.846,511 1.009,512 0.833,513 0.999,514 0.903,515 0.876,516 0.715,517 0.771,518 0.743,519 0.794,520 0.958,521 0.94,522 0.843,523 0.857,524 0.936,525 0.874,526 1.091,527 1.038,528 1.096,529 1.022,530 1.155,531 1.015,532 1.062,533 0.84,534 1.368,535 1.094,536 1.182,537 1.057,538 1.089,539 0.993,540 1.216,541 1.043,542 1.13,543 0.975,544 6,545 0.095,546 2.444,547 1.632,548 1.303,549 0.708,550 0.717,551 0.354,552 0.218,553 0.161,554 10576,555 23307,556 2.115,557 49.1,558 6,559 7,560 1,561 1,562 3,564 9,567 1.707,568 2,569 3.565,570 0.917,572 1,577 81.844,578 1.488,579 3.625,580 4.722,581 4.918,582 5.063,583 5.063,584 3.084,585 4.423,586 4.774,587 3.75,588 1417.48,589 8.288,590 19070,592 1,594 1,595 317.975,596 1.333,597 4.748,598 0.194,599 0.005,600 0.057,601 0.04,602 0.034,603 0.019,604 0.02,605 0.012,606 0.009,607 0.007,608 0.397,609 0.17,610 1,611 1.032,612 142.224,613 -0.057,614 -0.17,615 0.032,616 -0.02,617 -0.02,618 0.02,619 0.224,620 -0.006,621 0.06,622 -0.045,623 0.306,624 -0.024,625 -0.065,626 -0.171,627 0.007,628 -0.051,629 0.026,630 -0.029,631 0.082,632 0.078,633 0.159,634 0.151,635 0.145,636 0.157,637 0.016,638 0.044,639 0.093,640 0.108,641 0.056,642 0.1,643 0.033,644 -0.034,645 0.027,646 -0.016,648 -0.03,649 0.094,650 0.074,651 -0.062,652 -0.05,653 0.032,654 -0.048,655 -0.054,656 -0.103,657 -0.02,658 -0.016,659 -0.052,660 0.034,661 1.224,662 2.192,663 0.75,664 29.122,665 0.994,666 1.136,667 3.56,668 12.677,669 0.659,670 3.466,671 3.784,672 4.025,673 4.317,674 4.543,675 4.615,676 4.745,677 4.905,678 4.927,679 5.017,680 7.136,681 0.614,682 398.99,683 3.466,684 5.004,685 5.844,686 6.72,687 7.58,688 8.463,689 9.333,690 10.22,691 11.096,692 11.986,693 10.9,695 1,698 1,701 1,703 3,708 2,709 5,710 3,711 1,714 4,716 16,728 1,734 1,735 55,737 16,739 31,741 58,742 21,743 11,748 4,749 5,750 1,754 2,757 6,760 6,762 11,763 10,764 1,780 1,783 27,784 5,785 3,786 7,787 1,792 6,797 0.75,809 1,810 1,811 1,815 1,816 3,819 1,838 1,843 3,847 2,848 1,851 28,858 5,860 2,863 3,873 1,881 14,882 10.16,883 6.083,884 3.595,886 3.205,887 1.415,888 0.982,889 6.026,890 10.921,891 3.689,892 4.273,893 4.851,894 5.482,895 6.009,896 6.36,897 6.804,898 7.262,899 7.468,900 7.843,901 1,902 41,903 10.356,905 4.37,906 7.504,907 20.401,909 17.15,911 2.004,912 56.111,914 1,915 1,916 282.506,917 91.619,918 103.164,919 39.149,923 91.619,924 321.655,925 103.164,926 17.65,927 12.244,928 55.487,929 81.854,930 34.348,931 55.891,932 258.964,934 282.506,935 194.783,937 39.149,939 176.567,940 105.94,943 80.109,944 46.306,945 68.367,946 39.149,947 282.506,948 103.164,949 130.768,952 282.506,953 27.445,954 64.174,955 52.807,956 89.505,957 282.506,958 103.164,959 130.768,961 0.579,962 0.32,963 0.177,964 0.101,965 21,966 9,967 0.103,968 6,969 1,970 1.095,971 4.067,972 240.085,973 0.095,974 21,975 128.606,981 19.471,982 8.666,983 4.782,984 1.869,985 86.378,986 9.45,987 13.472,988 3.19,991 2.823,993 52.807,994 516.438,995 39,1007 54.654,1008 62.501,1009 0.257,1010 0.627,1011 0.817,1012 0.851,1013 0.876,1014 0.876,1015 4.927,1016 1.547,1017 5.82,1018 4.977,1019 4.466,1020 4.959,1021 0.495,1022 6.603,1023 4.361,1024 6.111,1025 1.435,1026 7.354,1027 4.231,1028 4.007,1029 4.732,1031 7.424,1032 3.841,1033 7.402,1034 1.029,1035 8.984,1036 3.444,1037 6.028,1038 7.144,1039 0.097,1040 10.521,1041 5.84,1042 8.728,1043 1,1044 10.672,1045 2.559,1046 6.365,1047 7.798,1049 12.211,1050 6.138,1051 10.089,1052 0.662,1053 12.399,1054 2.275,1055 7.861,1056 9.692,1057 0.016,1058 14.831,1059 7.608,1060 11.477,1061 0.488,1062 14.156,1063 1.48,1064 8.59,1065 10.789,1067 16.913,1068 8.31,1069 12.888,1070 0.061,1071 15.936,1072 1.178,1073 9.864,1074 12.457,1075 0.003,1076 19.372,1077 9.558,1078 3.167,1079 -0.389,1080 17.735,1081 0.161,1082 10.795,1083 13.772,1085 21.629,1086 10.468,1087 2.782,1088 10.928,1089 19.55,1090 -0.99,1091 11.975,1092 15.341,1094 24.036,1095 11.624,1096 2.615,1097 8.379,1098 21.379,1099 4.535,1100 13.008,1101 16.757,1103 26.367,1104 12.639,1105 2.325,1106 7.532,1107 23.218,1108 3.816,1109 14.153,1110 18.286,1112 28.76,1113 13.761,1114 2.153,1115 6.891,1116 25.068,1117 2.959,1118 15.237,1119 19.749,1121 31.124,1122 14.827,1123 2.058,1124 6.166,1125 26.926,1126 2.7,1127 16.372,1128 21.262,1130 33.513,1131 15.941,1132 1.8,1133 5.175,1134 28.791,1135 2.515,1136 17.483,1137 22.747,1139 35.891,1140 17.034,1141 10059,1142 15270,1143 20.978,1144 36.268,1145 46.538,1146 46.683,1147 47.117,1148 46.426,1149 46.244,1150 58.302,1151 1.6,1152 130.749,1153 43.641,1154 5.6,1155 5.205,1156 6.396,1157 5.216,1158 5.167,1159 7.535,1160 0.8,1161 18.109,1162 5.088,1163 12.463,1164 1.501,1165 1.506,1166 1.52,1167 1.498,1168 1.492,1169 1.881,1170 0.052,1171 4.218,1172 1.408,1173 4.126,1174 4.166,1175 4.114,1176 4.015,1177 5.14,1178 4.029,1179 3.918,1180 3.98,1181 3.918,1182 3.78,1183 5.006,1184 3.776,1185 3.767,1186 3.822,1187 3.763,1188 3.614,1189 4.517,1190 3.63,1191 3.668,1192 3.734,1193 3.516,1194 3.537,1195 4.41,1196 3.519,1197 3.37,1198 3.436,1199 3.351,1200 3.219,1201 4.332,1202 3.224,1203 3.264,1204 3.351,1205 3.239,1206 3.061,1207 4.184,1208 3.062,1209 3.111,1210 3.206,1211 3.046,1212 2.941,1213 3.97,1214 2.91,1215 2.949,1216 3.054,1217 2.866,1218 2.696,1219 3.851,1220 2.708,1221 0.148,1222 0.103,1223 0.217,1224 0.134,1225 0.102,1226 4.6,1227 0.146,1228 3.205,1229 0.013,1230 6.714,1231 0.353,1232 4.141,1233 0.1,1234 3.167,1235 4.535,1236 0.4,1237 10.928,1238 3.088,1239 1.913,1240 1.88,1241 2.094,1242 2.066,1243 1.482,1244 2.077,1245 1.878,1246 1.827,1247 1.971,1248 2.005,1249 1.226,1250 1.998,1251 1.731,1252 1.682,1253 1.96,1254 1.922,1255 1.082,1256 1.919,1257 1.686,1258 1.623,1259 1.789,1260 1.857,1261 0.842,1262 1.869,1263 1.387,1264 1.323,1265 1.55,1266 1.625,1267 0.825,1268 1.61,1269 1.232,1270 1.151,1271 1.513,1272 1.482,1273 0.781,1274 1.496,1275 1.153,1276 1.064,1277 1.479,1278 1.376,1279 0.505,1280 1.429,1281 1.005,1282 0.954,1283 1.417,1284 1.239,1285 0.479,1286 1.308,1287 4.143,1289 5.46,1290 2.398,1291 6.959,1292 4.727,1293 8.546,1294 6.843,1295 10.181,1297 4.496,1298 6.303,1303 5.65,1305 7.167,1308 1.692,1314 33.751,1315 81.844,1316 199.39,1317 259.71,1318 270.465,1319 278.465,1320 278.465,1321 40.867,1322 7.716,1323 78.52,1324 78.52,1325 23,1326 12.518,1327 4.087,1328 3.17,1329 42.635,1330 118,1331 132,1332 0.174,1333 211.243,1334 352.45,1335 507.193,1336 25265,1337 1.8,1338 19.51,1339 0.697,1340 0.612,1341 20.01,1342 17.13,1343 13.581,1344 0.438,1345 0.336,1346 9.978,1347 12.898,1348 9.679,1349 8.078,1350 13.869,1351 10.43,1352 12.482,1353 0.29,1354 0.195,1355 12.89,1356 8.384,1357 9.856,1358 0.179,1359 0.1,1360 10.092,1361 5.491,1362 8.505,1363 0.115,1364 0.054,1365 8.823,1366 3.998,1367 6.975,1368 0.075,1369 0.032,1370 7.207,1371 2.936,1372 0.277,1373 87.246,1374 0.218,1375 27.062,1376 0.463,1377 148,1378 358.137,1379 175.715,1380 385.451,1381 531.6,1382 362,1383 172,1384 383.313,1385 193.415,1386 399.28,1387 586.52,1388 377,1389 6.4}
{0 CHEMBL2006481,1 1.616,2 9.364,3 2.497,4 6.237,5 82.672,6 7.799,7 0.6,8 3.778,9 3.893,10 3.399,11 3.306,12 4.892,13 3.305,14 4.319,15 4.485,16 3.75,17 3.714,18 5.36,19 3.692,20 4.552,21 4.772,22 3.714,23 3.779,24 5.577,25 3.713,26 4.55,27 4.777,28 3.621,29 3.653,30 5.66,31 3.595,32 4.306,33 4.525,34 3.443,35 3.455,36 5.377,37 3.416,38 4.158,39 4.34,40 3.385,41 3.306,42 5.32,43 3.295,44 4.013,45 4.211,46 3.181,47 3.16,48 5.134,49 3.139,50 3.801,51 3.982,52 2.974,53 3.111,54 4.836,55 3.04,56 0.106,57 0.6,58 7.297,59 3.315,60 7.506,61 4.209,62 0.178,63 0.971,64 14.146,65 5.502,66 11.941,67 7.369,68 0.295,69 1.096,70 20.416,71 7.413,72 30.276,73 10.236,74 0.509,75 1.005,76 21.952,77 6.931,78 52.838,79 9.403,80 0.286,81 0.811,82 16.67,83 5.318,84 35.226,85 7.104,86 0.36,87 0.701,88 13.886,89 4.212,90 32.25,91 5.331,92 0.315,93 0.623,94 12.205,95 3.545,96 27.011,97 4.461,98 0.124,99 0.52,100 8.976,101 3.555,102 13.51,103 4.618,104 2,105 35,106 0.287,107 0.654,108 0.766,109 0.829,110 0.829,111 0.829,112 3.147,113 0.901,114 -3.14,115 -3.13,116 -3.01,119 42.1,121 3,125 2,142 4,143 2,145 1,146 1,152 2,158 1,166 1,168 1,172 6,174 1,175 6,180 2,183 6,187 2,188 8,193 2,196 4,199 2,200 8,205 1,208 2,213 7,221 2,224 1,225 8,228 1,230 1,233 1,237 1,238 5,241 1,246 2,258 5,263 2,267 2,272 6,276 584,277 15.292,278 15.292,279 15.292,280 15.292,281 15.292,282 13.557,283 8.136,284 9.045,285 15.48,286 12.354,287 12.354,288 12.354,289 12.354,290 12.354,291 9.644,292 8.198,293 4.304,294 12.63,295 3.632,296 1.568,297 0.934,298 0.579,299 0.579,300 0.579,301 3.847,304 1,305 1,306 1,307 463,308 2.449,311 106.525,312 125.635,315 87.008,319 1.545,320 19.232,321 1,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 48,332 206,333 4.48,334 3.696,335 6.439,336 4.06,337 3.072,338 4.393,339 1.2,340 9.928,341 3.034,342 4.302,343 3.008,344 6.265,345 3.906,346 2.928,347 3.935,348 0.293,349 9.428,350 2.86,351 3.945,352 2.701,353 5.989,354 3.613,355 2.635,356 3.305,358 8.519,359 2.576,360 3.402,361 2.393,362 5.229,363 3.119,364 2.153,365 2.639,367 6.328,368 2.074,369 3.034,370 1.976,371 4.445,372 2.622,373 1.619,374 2.301,376 4.33,377 1.619,378 2.938,379 1.534,380 4.289,381 2.517,382 1.534,383 2.026,385 3.982,386 1.507,387 2.619,388 1.411,389 3.797,390 2.266,391 1.292,392 1.645,394 3.087,395 1.255,396 2.444,397 1.282,398 3.438,399 2.019,400 1.045,401 1.421,403 2.38,404 1.015,405 2.191,406 1.077,407 3.317,408 1.984,409 1,410 1.054,412 2.136,413 0.983,414 2.049,415 1.008,416 3.247,417 1.725,418 0.737,419 1,421 1.796,422 0.724,423 2,424 0.689,425 3.223,426 1.584,427 0.553,428 0.782,430 1.383,431 0.564,432 1.883,433 0.392,434 3.022,435 1.356,436 0.382,437 0.571,439 0.954,440 0.371,441 0.793,442 -0.257,443 2.524,444 0.346,445 -0.65,446 -0.789,448 -1.606,449 -0.646,450 0.576,451 -0.646,452 2.199,453 0.265,454 -0.749,455 -0.917,457 -1.773,458 -0.754,459 0.434,460 -0.784,461 2.073,462 0.07,463 -0.913,464 -1,466 -2.347,467 -0.895,468 10.267,469 0.467,470 0.448,471 0.02,472 28.25,473 1.284,474 13.5,475 0.614,476 14.75,477 0.67,478 15.927,479 0.724,480 23.333,481 0.614,482 18.41,483 0.837,484 5.44,485 0.247,486 5.369,487 0.244,488 0.032,490 0.331,496 0.607,497 1.173,498 0.704,499 1.032,500 0.482,501 0.911,502 0.778,503 1.21,504 0.838,505 1.057,506 0.555,507 0.965,508 0.787,509 1.014,510 0.895,511 1.064,512 0.681,513 1.009,514 1.24,515 0.927,516 0.99,517 0.908,518 1.597,519 0.911,520 1.397,521 0.976,522 0.989,523 0.923,524 1.63,525 0.888,526 1.712,527 1.061,528 1.153,529 0.971,530 1.433,531 0.975,532 1.822,533 0.843,534 1.25,535 0.83,536 1.591,537 0.923,538 1.084,539 1.16,540 1.143,541 1.212,542 1.211,543 1.206,544 3.5,545 0.04,546 2.667,547 1.194,548 0.934,549 0.521,550 0.362,551 0.168,552 0.113,553 0.103,554 5547,555 13881,556 2.205,557 42.1,558 2,559 8,561 1,562 1,564 4,567 1.641,568 2.129,569 3.242,570 -0.265,571 1,572 1,574 1,577 61.421,578 1.616,579 3.68,580 4.313,581 4.669,582 4.669,583 4.669,584 2.698,585 4.278,586 4.433,587 3.367,588 777.686,589 7.596,590 8484.39,591 1,592 1,594 1,595 199.421,596 1.143,597 4.418,598 0.14,599 0.004,600 0.076,601 0.037,602 0.033,603 0.022,604 0.016,605 0.009,606 0.008,607 0.007,608 0.353,609 0.67,610 1,611 0.405,612 101.247,613 0.143,614 0.007,615 0.078,616 -0.005,617 0.07,618 0.014,620 -0.107,621 0.019,622 -0.061,623 0.053,624 -0.021,625 0.058,626 -0.043,627 0.058,628 -0.068,629 0.139,630 -0.013,631 0.013,632 -0.018,633 0.044,634 0.057,635 -0.063,636 0.058,637 -0.187,638 -0.034,639 0.023,640 0.04,641 -0.225,642 0.071,643 -0.154,644 -0.079,645 -0.14,646 -0.04,647 -0.131,648 -0.085,649 -0.322,650 0.169,651 -0.233,652 0.075,653 -0.212,654 -0.045,655 -0.167,656 -0.173,657 -0.237,658 -0.186,659 -0.115,660 -0.224,661 1.709,662 5.404,663 0.909,664 16.818,665 1.01,666 1.129,667 1.91,668 3.648,669 0.671,670 3.258,671 3.584,672 3.892,673 4.143,674 4.29,675 4.382,676 4.511,677 4.615,678 4.644,679 4.727,680 5.615,681 0.649,682 296.36,683 3.258,684 4.796,685 5.659,686 6.535,687 7.412,688 8.292,689 9.172,690 10.055,691 10.938,692 11.822,693 10.5,700 1,701 1,703 2,708 2,709 5,710 2,711 1,712 1,714 3,716 15,724 1,735 38,737 16,738 1,739 25,741 41,742 16,743 10,744 3,745 3,746 1,748 4,749 5,757 3,760 3,762 11,763 5,767 1,772 1,776 1,779 1,780 1,783 16,784 5,785 1,786 6,791 1,792 4,797 0.75,798 2,807 1,815 2,816 2,819 1,843 3,851 22,858 5,864 1,874 5.3,877 1,879 1,881 10.333,882 6.85,883 4.778,884 2.478,886 2.996,887 1.417,888 1.026,889 3.429,890 10.176,891 3.541,892 4.151,893 4.794,894 5.389,895 5.815,896 6.257,897 6.699,898 7.145,899 7.39,900 7.754,901 1,902 32,903 8.136,905 3.542,906 7.705,907 15.672,909 13.229,911 2.205,912 48.5,916 176.567,917 79.58,918 56.047,920 34.879,923 79.58,924 211.446,925 56.047,927 14.939,928 37.905,929 77.88,930 43.96,931 7.593,932 164.795,934 176.567,935 135.627,936 34.879,939 129.482,940 81.963,943 43.406,944 55.961,945 36.26,947 176.567,948 90.926,949 79.58,952 176.567,953 32.628,954 50.077,955 16.663,956 71.139,957 176.567,958 90.926,959 79.58,961 0.582,962 0.349,963 0.188,964 0.092,965 19,966 7,967 0.049,968 2,969 1,970 1.1,971 3.571,972 177.161,973 0.1,974 20,975 94.107,981 13.527,982 5.577,983 2.56,984 1.964,985 74.263,986 9.31,987 7.944,988 2.908,989 5.36,991 1.867,993 16.663,994 347.073,995 33.5,1000 12.404,1004 -0.043,1007 38.363,1008 42.903,1009 0.308,1010 0.701,1011 0.822,1012 0.89,1013 0.89,1014 0.89,1015 4.769,1016 1.045,1017 5.631,1018 3.087,1019 4.263,1020 4.836,1021 1.356,1022 6.438,1023 4.223,1024 5.965,1025 1,1026 7.185,1027 2.38,1028 3.761,1029 4.605,1030 0.325,1031 7.306,1032 3.705,1033 7.27,1034 0.737,1035 8.84,1036 2.136,1037 5.849,1038 7.067,1039 1.511,1040 10.411,1041 5.77,1042 8.616,1043 0.553,1044 10.556,1045 1.796,1046 6.236,1047 7.765,1048 0.653,1049 12.112,1050 6.143,1051 9.999,1052 0.382,1053 12.31,1054 1.383,1055 7.731,1056 9.623,1057 1.739,1058 14.692,1059 7.617,1060 11.406,1061 -0.65,1062 14.089,1063 0.954,1064 8.506,1065 10.729,1066 1.001,1067 16.71,1068 8.378,1069 12.831,1070 -0.749,1071 15.885,1072 -1.606,1073 9.766,1074 12.351,1075 1.993,1076 19.106,1077 9.621,1078 3.072,1079 -0.913,1080 17.693,1081 -1.773,1082 10.716,1083 13.645,1084 1.37,1085 21.259,1086 10.557,1087 2.928,1088 9.928,1089 19.509,1090 -2.347,1091 11.879,1092 15.172,1093 2.264,1094 23.582,1095 11.704,1096 2.635,1097 9.428,1098 21.331,1099 4.393,1100 12.909,1101 16.553,1102 1.754,1103 25.796,1104 12.72,1105 2.153,1106 8.519,1107 23.157,1108 3.935,1109 14.033,1110 18.041,1111 2.551,1112 28.089,1113 13.83,1114 1.619,1115 6.328,1116 24.987,1117 3.305,1118 15.101,1119 19.465,1120 2.143,1121 30.333,1122 14.883,1123 1.534,1124 4.33,1125 26.82,1126 2.639,1127 16.21,1128 20.938,1129 2.851,1130 32.614,1131 15.979,1132 1.292,1133 3.982,1134 28.655,1135 2.301,1136 17.296,1137 22.383,1138 2.535,1139 34.873,1140 17.051,1141 5126,1142 8272,1143 17.394,1144 25.5,1145 38.414,1146 38.877,1147 38.202,1148 37.926,1149 37.899,1150 50.145,1151 2.986,1152 108.503,1153 37.164,1154 5.48,1155 5.696,1156 6.241,1157 5.095,1158 5.072,1159 7.393,1160 2.293,1161 16.789,1162 5.034,1163 5.529,1164 1.537,1165 1.555,1166 1.528,1167 1.517,1168 1.516,1169 2.006,1170 0.119,1171 4.34,1172 1.487,1173 4.119,1174 4.154,1175 4.084,1176 4.013,1177 7.428,1178 4.025,1179 3.905,1180 3.951,1181 3.858,1182 3.725,1183 5.217,1184 3.744,1185 3.759,1186 3.801,1187 3.654,1188 3.586,1189 5.065,1190 3.599,1191 3.331,1192 3.383,1193 3.262,1194 3.147,1195 4.329,1196 3.169,1197 3.131,1198 3.206,1199 3.038,1200 2.941,1201 4.266,1202 2.919,1203 3.111,1204 3.188,1205 2.866,1206 2.901,1207 3.767,1208 2.91,1209 2.924,1210 2.992,1211 2.802,1212 2.756,1213 3.587,1214 2.763,1215 2.693,1216 2.734,1217 2.522,1218 2.395,1219 3.474,1220 2.42,1221 0.179,1222 0.148,1223 0.258,1224 0.162,1225 0.123,1226 4.48,1227 0.176,1228 3.696,1229 0.048,1230 6.439,1231 0.397,1232 4.06,1233 0.121,1234 3.072,1235 4.393,1236 1.2,1237 9.928,1238 3.034,1239 1.95,1240 1.931,1241 2.046,1242 2.027,1243 1.394,1244 2.032,1245 1.824,1246 1.764,1247 2.024,1248 2.011,1249 1.173,1250 2.019,1251 1.485,1252 1.461,1253 1.583,1254 1.66,1255 0.825,1256 1.629,1257 1.311,1258 1.231,1259 1.513,1260 1.629,1261 0.717,1262 1.586,1263 1.201,1264 1.187,1265 1.464,1266 1.464,1267 0.567,1268 1.429,1269 1.153,1270 1.064,1271 1.347,1272 1.376,1273 0.407,1274 1.405,1275 0.933,1276 0.846,1277 1.184,1278 1.233,1279 0.246,1280 1.232,1281 0.802,1282 0.734,1283 1.043,1284 1.074,1286 1.084,1287 3.932,1289 5.252,1290 3.045,1291 6.765,1292 5.283,1293 8.36,1294 7.286,1295 9.997,1303 4.934,1309 1.852,1314 24.676,1315 61.421,1316 139.837,1317 163.911,1318 177.421,1319 177.421,1320 177.421,1321 30.017,1322 7.18,1323 75.02,1324 75.02,1325 22,1326 12.355,1327 4.087,1328 3.248,1329 30.027,1330 75,1331 66,1332 0.2,1333 149.352,1334 246.32,1335 356.179,1336 12379,1338 14.941,1339 0.679,1340 0.549,1341 14.941,1342 12.08,1343 10.81,1344 0.432,1345 0.3,1346 7.393,1347 10.319,1348 7.293,1349 6.016,1350 10.81,1351 7.506,1352 9.615,1353 0.275,1354 0.16,1355 9.615,1356 5.601,1357 8.648,1358 0.18,1359 0.085,1360 8.648,1361 4.097,1362 7.17,1363 0.116,1364 0.046,1365 7.17,1366 2.867,1367 5.317,1368 0.074,1369 0.026,1370 5.317,1371 1.888,1372 0.312,1373 68.327,1374 0.24,1375 21.761,1376 0.55,1377 120,1378 360.739,1379 133.001,1380 345.861,1381 479.43,1382 324,1383 143,1384 369.575,1385 157.971,1386 367.467,1387 536.28,1388 346,1389 5.1}
{0 CHEMBL2006493,1 1.708,2 7.15,3 2.757,4 7.603,5 65.454,6 9.732,7 0.273,8 3.531,9 3.593,10 3.29,11 3.1,12 4.819,13 3.143,14 4.126,15 4.228,16 3.817,17 3.502,18 5.972,19 3.551,20 4.352,21 4.484,22 3.847,23 3.598,24 5.795,25 3.652,26 4.369,27 4.5,28 3.784,29 3.425,30 6.063,31 3.515,32 4.116,33 4.239,34 3.475,35 3.192,36 5.779,37 3.25,38 3.788,39 3.931,40 3.193,41 2.992,42 5.265,43 3.019,44 3.778,45 3.953,46 3.168,47 2.715,48 5.749,49 2.772,50 3.525,51 3.78,52 2.658,53 2.188,54 5.043,55 2.304,56 0.268,57 0.6,58 2.614,59 3.026,60 54.395,61 2.537,62 0.927,63 1.327,64 7.799,65 5.351,66 170.438,67 4.751,68 0.869,69 1.081,70 12.248,71 6.557,72 131.761,73 6.213,74 1.26,75 1.1,76 14.082,77 6.249,78 201.644,79 5.019,80 1.121,81 0.806,82 10.919,83 4.706,84 160.993,85 3.379,86 0.491,87 0.726,88 6.134,89 3.834,90 93.786,91 3.554,92 0.764,93 0.7,94 8.456,95 3.629,96 160.543,97 3.719,98 0.623,99 0.632,100 9.559,101 2.913,102 118.653,103 2.823,104 27,105 34,106 0.328,107 0.709,108 0.803,109 0.861,110 0.861,111 0.861,112 3.06,113 0.829,114 -3.7,115 -3.67,116 -3.49,119 48.3,121 3,132 1,136 1,138 1,142 3,143 2,144 1,156 1,157 1,172 6,175 8,183 8,188 5,196 4,199 3,200 8,208 5,213 3,221 6,225 2,233 5,238 1,246 2,276 380,277 12.834,278 12.834,279 12.834,280 12.834,281 12.834,282 11.718,283 16.524,284 7.133,285 13.137,286 10.83,287 10.83,288 10.83,289 10.83,290 10.83,291 8.873,292 20.068,293 3.351,294 11.395,295 3.15,296 1.165,297 0.673,298 0.371,299 0.371,300 0.371,301 3.73,305 1,306 1,307 303,308 3.082,312 111.077,316 122.43,319 1.18,320 51.4,323 1,324 0.83,325 1,326 0.6,327 0.5,328 1,329 1,330 0.85,331 47.5,332 143,333 4.634,334 4.461,335 7.123,336 4.292,337 3.355,338 4.213,339 3.825,340 11.773,341 3.265,342 4.414,343 3.845,344 6.899,345 4.136,346 3.218,347 3.783,348 1.277,349 11.429,350 2.885,351 3.98,352 3.385,353 6.152,354 3.613,355 2.629,356 3.31,357 1.151,358 8.889,359 2.551,360 3.368,361 2.982,362 5.31,363 3.067,364 2.109,365 2.496,367 6.464,368 1.99,369 3.236,370 2.599,371 4.878,372 2.847,373 1.837,374 2.343,376 5.229,377 1.831,378 2.892,379 1.896,380 4.548,381 2.453,382 1.513,383 2.005,385 4.396,386 1.388,387 2.606,388 1.52,389 4.065,390 2.345,391 1.353,392 1.611,394 3.358,395 1.333,396 2.302,397 1.403,398 3.574,399 1.963,400 0.943,401 1.205,403 2.271,404 0.951,405 1.457,406 1.013,407 2.996,408 0.971,414 1.187,415 0.577,416 2.889,417 0.865,418 -0.188,419 -0.238,421 -0.479,422 -0.193,423 0.856,424 0.51,425 2.589,426 0.568,427 -0.435,428 -0.559,430 -1.073,431 -0.439,432 0.617,433 0.51,434 2.346,435 0.249,436 -0.741,437 -0.937,439 -2.104,440 -0.7,441 0.177,442 -0.045,443 2.176,444 -0.137,445 -1,446 -1,448 -3,449 -0.7,451 -0.263,452 2,453 -0.3,454 -1,455 -1,457 -3,458 -0.726,460 -0.632,461 2,462 -0.3,463 -1.129,464 -1.414,466 -3.244,467 -1.112,468 8.857,469 0.443,470 0.796,471 0.04,472 23.75,473 1.188,474 11,475 0.55,476 12.75,477 0.638,478 15.028,479 0.751,480 22.343,481 0.77,482 18.965,483 0.948,484 4.714,485 0.236,486 4.662,487 0.233,488 0.172,489 0.056,490 0.395,493 3,496 0.568,497 0.798,498 0.518,499 0.979,500 0.571,501 0.845,502 0.457,503 0.623,504 0.551,505 0.976,506 0.404,507 0.921,508 0.768,509 0.769,510 0.722,511 1.022,512 0.644,513 0.934,514 1.139,515 0.932,516 1.117,517 0.975,518 1.095,519 0.996,520 1.122,521 0.784,522 1.306,523 0.818,524 1.252,525 1.041,526 0.844,527 1.144,528 0.986,529 1.332,530 0.955,531 1.334,532 0.751,533 1.279,534 0.885,535 1.229,536 0.818,537 1.226,538 1.66,539 1.654,540 1.32,541 1.004,542 1.714,543 0.891,544 5.5,546 3.111,547 2.188,548 1.782,549 0.847,550 0.487,551 0.283,552 0.165,553 0.047,554 3258,555 14450,556 2.007,557 31,558 2,559 3,563 2,564 2,567 1.622,568 1.805,569 2.854,570 -0.689,572 1,573 1,574 1,577 49.539,578 1.708,579 3.693,580 4.185,581 4.487,582 4.487,583 4.487,584 2.285,585 3.684,586 4.296,587 2.985,588 567.087,589 7.358,590 5518.51,592 1,594 1,595 140.881,596 1.776,597 4.203,598 0.25,600 0.092,601 0.061,602 0.057,603 0.039,604 0.029,605 0.02,606 0.021,607 0.008,608 0.576,609 1,610 1,611 0.932,612 85.99,613 -0.014,614 0.012,615 0.016,616 0.01,617 -0.041,618 0.028,619 0.316,620 0.315,621 0.191,622 0.01,623 0.332,624 -0.007,625 -0.069,626 -0.113,627 0.139,628 -0.086,629 -0.005,630 0.068,631 -0.143,632 -0.069,633 -0.147,634 -0.042,635 -0.125,636 -0.064,637 -0.096,638 0.071,639 -0.349,640 0.112,641 -0.232,642 -0.136,643 -0.081,644 -0.313,645 -0.101,646 -0.374,647 -0.119,648 -0.332,649 0.274,650 -0.284,651 0.246,652 -0.266,653 0.291,654 -0.173,655 -0.32,656 -0.253,657 0.115,658 0.014,659 -0.353,660 0.266,661 5.752,662 5.182,663 0.7,664 12.6,665 1.063,666 1.143,667 2.471,668 6.108,669 0.681,670 3.135,671 3.555,672 3.829,673 4.111,674 4.382,675 4.533,676 4.682,677 4.754,678 4.89,679 4.625,680 4.486,681 0.705,682 282.23,683 3.135,684 4.727,685 5.602,686 6.526,687 7.421,688 8.346,689 9.249,690 10.173,691 11.08,692 12.003,709 3,714 3,716 6,721 1,733 1,735 29,737 9,738 1,739 22,741 31,742 14,743 6,744 3,745 3,746 4,748 3,749 6,754 1,757 3,759 1,760 3,762 10,763 4,767 3,772 2,776 4,780 1,781 3,783 9,784 6,786 6,797 0.333,798 3,816 3,820 2,827 1,834 1,835 1,843 1,849 3,851 20,858 3,861 1,865 1,873 3,874 10.3,877 2,879 1,881 11.083,882 5.429,883 4.139,884 1.843,886 1.757,887 1.253,888 1.002,889 2.806,890 8.707,891 3.367,892 3.98,893 4.546,894 5.084,895 5.566,896 5.916,897 6.281,898 6.512,899 6.818,900 6.707,901 0.8,902 36,903 7.966,905 4.13,906 8.746,907 13.239,909 11.344,911 3.246,912 64.917,916 105.94,917 74.102,920 61.29,921 44.88,923 74.102,924 167.23,925 44.88,927 7.604,928 28.429,929 65.8,930 70.68,932 105.94,933 7.76,934 105.94,935 74.102,936 106.17,939 82.398,940 129.712,943 15.363,944 53.496,945 5.243,947 150.82,948 61.29,949 74.102,952 113.699,953 37.914,954 28.429,956 106.17,957 105.94,958 106.17,959 74.102,961 0.614,962 0.354,963 0.183,964 0.1,965 19,966 9,969 2,970 1.286,971 3.038,972 160.97,973 0.286,974 14,975 81.684,981 13.079,982 4.29,983 2.1,985 106.17,986 2.682,991 -1,994 286.212,995 28,1000 23.919,1004 -0.664,1007 30.822,1008 33.139,1009 0.352,1010 0.76,1011 0.862,1012 0.924,1013 0.924,1014 0.924,1015 4.677,1016 0.943,1017 5.68,1018 3.358,1019 4.234,1020 4.663,1021 3.287,1022 6.605,1023 4.15,1024 5.938,1026 7.327,1027 2.271,1028 4.205,1029 4.732,1030 3.903,1031 7.895,1032 3.987,1033 7.303,1034 -0.188,1035 9.083,1037 6.004,1038 6.871,1039 5.459,1040 10.938,1041 5.819,1042 8.699,1043 -0.435,1044 10.9,1045 -0.479,1046 6.711,1047 7.666,1048 6.69,1049 12.955,1050 6.403,1051 10.125,1052 -0.741,1053 12.754,1054 -1.073,1055 8.101,1056 9.38,1057 8.062,1058 15.602,1059 7.798,1060 11.57,1061 -1,1062 14.633,1063 -2.104,1064 9.101,1065 10.494,1066 9.388,1067 17.885,1068 8.708,1069 13.031,1070 -1,1071 16.528,1072 -3,1073 10.355,1074 12.041,1075 10.735,1076 20.403,1077 9.944,1078 3.355,1079 -1.129,1080 18.435,1081 -3,1082 11.471,1083 13.305,1084 12.074,1085 22.787,1086 10.995,1087 3.218,1088 11.773,1089 20.351,1090 -3.244,1091 12.681,1092 14.78,1093 13.417,1094 25.262,1095 12.176,1096 2.629,1097 11.429,1098 22.274,1099 4.213,1100 13.842,1101 16.119,1102 14.758,1103 27.686,1104 13.289,1105 2.109,1106 8.889,1107 24.202,1108 3.783,1109 15.039,1110 17.563,1111 16.1,1112 30.146,1113 14.454,1114 1.837,1115 6.464,1116 26.134,1117 3.31,1118 16.219,1119 18.941,1120 17.441,1121 32.587,1122 15.595,1123 1.513,1124 5.229,1125 28.07,1126 2.496,1127 17.412,1128 20.372,1129 18.783,1130 35.042,1131 16.758,1132 1.353,1133 4.396,1134 30.008,1135 2.343,1136 18.601,1137 21.771,1138 20.124,1139 37.49,1140 17.914,1141 3273,1142 6999,1143 13.929,1144 19.744,1145 34.872,1146 35.497,1147 35.643,1148 34.108,1149 33.912,1150 41.931,1151 12.507,1152 107.617,1153 32.39,1154 5.608,1155 6.461,1156 6.659,1157 5.386,1158 5.355,1159 7.213,1160 5.335,1161 19.353,1162 5.265,1163 11.718,1164 1.585,1165 1.613,1166 1.62,1167 1.55,1168 1.541,1169 1.906,1170 0.569,1171 4.892,1172 1.472,1173 4.043,1174 4.05,1175 4.015,1176 3.951,1177 8.513,1178 3.963,1179 3.792,1180 3.822,1181 3.738,1182 3.692,1183 7.999,1184 3.693,1185 3.412,1186 3.441,1187 3.396,1188 3.197,1189 7.999,1190 3.225,1191 3.117,1192 3.146,1193 3.046,1194 2.881,1195 7.442,1196 2.901,1197 3.08,1198 3.123,1199 2.993,1200 2.843,1201 7.411,1202 2.875,1203 2.872,1204 2.904,1205 2.781,1206 2.679,1207 4.826,1208 2.687,1209 2.67,1210 2.699,1211 2.546,1212 2.404,1213 4.352,1214 2.46,1215 2.336,1216 2.359,1217 2.262,1218 2.001,1219 3.921,1220 2.071,1221 0.211,1222 0.203,1223 0.324,1224 0.195,1225 0.152,1226 4.634,1227 0.192,1228 4.461,1229 0.174,1230 7.123,1231 0.535,1232 4.292,1233 0.148,1234 3.355,1235 4.213,1236 3.825,1237 11.773,1238 3.265,1239 1.977,1240 1.969,1241 2.06,1242 2.088,1243 1.326,1244 2.075,1245 1.771,1246 1.741,1247 1.922,1248 1.898,1249 1.106,1250 1.904,1251 1.281,1252 1.258,1253 1.388,1254 1.524,1255 0.595,1256 1.462,1257 1.033,1258 0.991,1259 1.318,1260 1.292,1261 0.492,1262 1.291,1263 0.952,1264 0.912,1265 1.147,1266 1.24,1267 0.209,1268 1.191,1269 0.798,1270 0.754,1271 0.952,1272 1.04,1273 0.081,1274 1.027,1275 0.528,1276 0.51,1277 0.722,1278 0.857,1280 0.818,1281 0.158,1282 0.124,1283 0.548,1284 0.541,1286 0.518,1287 3.807,1289 5.198,1291 6.792,1293 8.479,1295 10.214,1299 37.931,1303 1.2,1306 5.35,1310 -4.502,1314 20.455,1315 49.539,1316 107.107,1317 121.372,1318 130.127,1319 130.127,1320 130.127,1321 56.275,1322 6.95,1323 47.28,1324 47.28,1325 18,1326 12.512,1327 3.322,1328 2.807,1329 29.831,1330 56,1331 42,1332 0.289,1333 120.902,1334 231.52,1335 286.761,1336 8136,1337 10.3,1338 14.491,1339 0.725,1340 0.511,1341 11.991,1342 10.212,1343 9.376,1344 0.426,1345 0.276,1346 5.947,1347 8.831,1348 5.911,1349 4.772,1350 8.165,1351 6.079,1352 9.64,1353 0.284,1354 0.139,1355 7.683,1356 4.715,1357 7.59,1358 0.169,1359 0.075,1360 6.627,1361 3.379,1362 6.486,1363 0.108,1364 0.04,1365 5.934,1366 2.408,1367 5.149,1368 0.065,1369 0.022,1370 4.676,1371 1.714,1372 0.429,1373 60.477,1374 0.268,1375 19.221,1376 0.866,1377 112,1378 571.54,1379 137.432,1380 458.854,1381 585.17,1382 422,1383 135,1384 399.545,1385 154.446,1386 379.201,1387 582.49,1388 357,1389 5.1}
{0 CHEMBL2006567,1 1.799,2 6.5,3 1.08,4 1.167,5 71.456,6 9.226,7 0.579,8 3.444,9 3.553,10 3.241,11 3.086,12 4.768,13 3.048,14 3.86,15 3.996,16 3.541,17 3.408,18 5.141,19 3.353,20 4.026,21 4.187,22 3.483,23 3.403,24 5.353,25 3.375,26 4.043,27 4.232,28 3.61,29 3.416,30 5.506,31 3.38,32 4.021,33 4.194,34 3.521,35 3.421,36 5.4,37 3.354,38 3.984,39 4.182,40 3.457,41 3.271,42 5.394,43 3.17,44 3.843,45 4.076,46 2.77,47 2.997,48 5.094,49 2.811,50 3.441,51 3.691,52 2.609,53 2.495,54 4.932,55 2.33,56 0.065,57 0.445,58 4.031,59 2.246,60 10.822,61 2.308,62 0.142,63 0.657,64 9.369,65 4.145,66 15.861,67 4.513,68 0.233,69 0.747,70 9.711,71 3.868,72 39.509,73 3.809,74 0.249,75 0.787,76 10.464,77 4.217,78 40.115,79 5.206,80 0.209,81 0.763,82 9.092,83 3.851,84 38.132,85 3.841,86 0.233,87 0.719,88 11.514,89 4.177,90 40.517,91 4.851,92 0.222,93 0.543,94 15.147,95 4.904,96 43.684,97 5.071,98 0.189,99 0.321,100 9.37,101 3.242,102 43.895,103 3.753,104 22,105 26,106 0.344,107 0.772,108 0.846,109 0.873,110 0.873,111 0.873,112 2.961,113 0.958,114 -2.6,115 -2.62,116 -2.55,119 42.9,120 1,142 2,143 2,144 1,146 1,147 1,151 2,158 2,163 1,164 1,165 1,172 1,175 5,178 2,180 4,183 4,185 2,188 1,196 1,199 2,200 5,202 2,203 2,204 1,205 3,207 1,208 3,210 1,213 1,218 2,221 1,223 1,225 3,227 1,228 2,230 3,233 3,235 2,238 1,246 1,249 1,250 2,258 1,276 366,277 11.939,278 11.939,279 11.939,280 11.939,281 11.939,282 10.305,283 11.616,284 7.09,285 12.251,286 9.326,287 9.326,288 9.326,289 9.326,290 9.326,291 6.807,292 15.684,293 3.275,294 9.815,295 3.009,296 0.768,297 0.384,298 0.241,299 0.241,300 0.241,301 3.609,305 1,306 1,307 238,308 2.739,311 46.081,312 59.625,319 1.056,320 20.531,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 39,332 117,333 4.529,334 4.083,335 6.68,336 4.114,337 3.139,338 4.244,339 2.035,340 10.774,341 3.061,342 3.902,343 3.534,344 5.679,345 3.487,346 2.524,347 3.441,348 1.907,349 7.54,350 2.43,351 3.754,352 3.087,353 5.387,354 3.334,355 2.363,356 3.025,357 0.149,358 6.962,359 2.291,360 3.389,361 2.518,362 4.569,363 2.85,364 1.844,365 2.49,367 4.571,368 1.836,369 3.145,370 2.275,371 4.438,372 2.611,373 1.7,374 2.382,376 4.498,377 1.54,378 3.065,379 1.748,380 3.582,381 1.984,382 1.084,383 1.598,385 2.406,386 0.959,387 2.342,388 1.117,389 3.136,390 1.568,391 0.65,392 1.063,394 1.373,395 0.586,396 2.118,397 0.721,398 3,399 1.489,400 0.618,401 0.927,403 1.372,404 0.525,405 1.465,406 0.618,407 2.65,408 0.834,409 -0.111,410 -0.161,412 -0.212,413 -0.104,414 0.955,415 0.45,416 2.523,417 0.569,418 -0.378,419 -0.486,421 -0.897,422 -0.357,423 0.803,424 -0.048,425 2.152,426 0.316,427 -0.63,428 -0.877,430 -1.696,431 -0.587,432 0.375,433 -0.404,434 1.821,435 0.095,436 -1,437 -1.308,439 -2,440 -1.076,441 0.058,442 -0.999,443 1.394,444 -0.306,445 -1.237,446 -1.625,448 -3.036,449 -1.117,450 -0.095,451 -1.05,452 1.089,453 -0.578,454 -1.481,455 -2.055,457 -3.787,458 -1.298,459 -0.118,460 -1.45,461 1,462 -0.657,463 -1.618,464 -2.114,466 -4.372,467 -1.551,468 8.767,469 0.487,470 0.473,471 0.026,472 26.75,473 1.486,474 15.5,475 0.861,476 11.25,477 0.625,478 10.813,479 0.601,480 18.233,481 0.651,482 17.308,483 0.962,484 5.144,485 0.286,486 3.47,487 0.193,488 0.186,490 0.342,496 0.846,497 0.996,498 0.717,499 0.738,500 0.648,501 0.724,502 0.536,503 1.061,504 0.916,505 1.029,506 0.467,507 0.869,508 1.519,509 1.128,510 0.947,511 0.834,512 1.223,513 0.946,514 0.497,515 0.925,516 0.555,517 0.77,518 0.547,519 0.805,520 1.328,521 1.028,522 0.994,523 0.847,524 1.291,525 1.012,526 0.802,527 1.177,528 0.947,529 1.172,530 1.007,531 1.177,532 1.374,533 0.904,534 1.631,535 1.379,536 1.38,537 1.298,538 1.057,539 0.807,540 0.815,541 1.019,542 1.227,543 1.017,544 4,546 1.778,547 1.403,548 1.084,549 0.67,550 0.434,551 0.147,552 0.063,554 2328,555 8839,556 1.963,557 35.7,559 2,560 2,562 3,563 3,567 1.595,568 1.8,569 2.735,570 1.251,572 1,574 1,577 50.367,578 1.799,579 4.039,580 4.423,581 4.566,582 4.566,583 4.566,584 2.171,585 3.614,586 4.139,587 2.875,588 439.84,589 7.067,590 4155.47,591 1,592 1,595 134.606,596 1.53,597 4.076,598 0.211,600 0.068,601 0.056,602 0.04,603 0.029,604 0.024,605 0.016,606 0.01,608 0.455,609 0.67,610 1,611 1.298,612 74.846,613 -0.168,614 0.071,615 0.017,616 0.138,617 -0.097,618 0.095,619 0.186,620 -0.053,621 0.003,622 -0.038,623 0.097,624 0.049,625 -0.403,626 -0.124,627 -0.23,628 -0.042,629 -0.265,630 -0.117,631 0.344,632 0.066,633 0.209,634 0.046,635 0.243,636 0.103,637 -0.366,638 0.019,639 -0.179,640 0.005,641 -0.274,642 -0.164,643 0.142,644 -0.205,645 0.07,646 -0.193,647 0.015,648 -0.208,649 -0.242,650 -0.026,651 -0.338,652 -0.201,653 -0.151,654 -0.183,655 0.306,656 -0.067,657 0.379,658 0.082,659 0.294,660 0.167,661 1.9,662 4.022,663 0.611,664 11.444,665 1.016,666 1.12,667 1.365,668 1.864,669 0.729,670 2.996,671 3.296,672 3.526,673 3.807,674 3.892,675 3.989,676 3.97,677 3.85,678 3.367,679 3.135,680 4.299,681 0.699,682 258.33,683 2.996,684 4.511,685 5.342,686 6.221,687 7.077,688 7.964,689 8.831,690 9.719,691 10.591,692 11.48,693 14.3,697 1,700 1,702 1,703 1,709 4,710 1,713 1,714 5,716 11,718 1,727 1,735 28,737 13,739 19,741 29,742 12,743 9,748 2,749 2,754 1,761 1,762 10,763 1,767 1,772 1,776 1,780 1,783 10,784 5,785 3,786 6,787 1,792 4,797 1,798 1,809 1,815 1,816 1,829 1,843 2,845 1,847 1,851 18,852 1,860 1,866 1,869 1,870 1,872 1,874 3.6,877 1,881 10,882 5.4,883 4.083,884 1.456,886 2.26,887 1.376,888 0.977,889 3.589,890 8.266,891 3.35,892 3.907,893 4.473,894 5.104,895 5.495,896 5.878,897 6.167,898 6.411,899 6.241,900 6.366,901 1,902 25,903 6.569,905 2.73,906 8.102,907 12.05,909 9.385,911 2.602,912 46.833,913 0.001,916 82.398,917 109.872,918 98.753,920 25.145,922 31.278,923 78.595,924 107.543,925 98.753,926 8.825,927 18.011,928 67.148,929 63.237,930 42.944,931 25.87,932 90.133,934 82.398,935 177.348,936 25.145,937 31.278,939 82.398,940 25.145,943 60.652,944 99.91,945 16.786,946 31.278,947 82.398,948 123.898,949 109.872,952 82.398,953 50.195,954 43.076,955 34.612,956 105.887,957 82.398,958 123.898,959 109.872,961 0.571,962 0.327,963 0.192,964 0.094,965 12,966 6,967 0.069,968 2,970 1,971 2.923,972 125.747,974 11,975 75.059,977 1,981 12.533,982 5.154,983 2.684,985 123.898,986 7.097,987 4.259,990 1.502,991 2.276,993 50.908,994 316.168,995 27.5,1000 11.022,1004 -0.233,1007 28.462,1008 31.368,1009 0.374,1010 0.84,1011 0.92,1012 0.95,1013 0.95,1014 0.95,1015 4.572,1016 0.618,1017 5.333,1018 1.373,1019 3.97,1020 4.59,1021 2.73,1022 6.142,1023 3.884,1024 5.802,1025 -0.111,1026 6.891,1027 1.372,1028 3.611,1029 4.388,1030 1.593,1031 7.066,1032 3.559,1033 7.112,1034 -0.378,1035 8.551,1036 -0.212,1037 5.549,1038 6.779,1039 3.961,1040 10.17,1041 5.407,1042 8.456,1043 -0.63,1044 10.272,1045 -0.897,1046 5.994,1047 7.411,1048 3.032,1049 11.931,1050 5.872,1051 9.827,1052 -1,1053 12.032,1054 -1.696,1055 7.422,1056 9.25,1057 5.291,1058 14.567,1059 7.237,1060 11.221,1061 -1.237,1062 13.821,1063 -2,1064 8.238,1065 10.287,1066 4.409,1067 16.68,1068 8.055,1069 12.632,1070 -1.481,1071 15.631,1072 -3.036,1073 9.474,1074 11.897,1075 6.657,1076 19.154,1077 9.247,1078 3.139,1079 -1.618,1080 17.457,1081 -3.787,1082 10.463,1083 13.137,1084 5.75,1085 21.419,1086 10.225,1087 2.524,1088 10.774,1089 19.295,1090 -4.372,1091 11.629,1092 14.65,1093 8.039,1094 23.833,1095 11.358,1096 2.363,1097 7.54,1098 21.144,1099 4.244,1100 12.698,1101 15.991,1102 7.068,1103 26.162,1104 12.41,1105 1.844,1106 6.962,1107 23.002,1108 3.441,1109 13.841,1110 17.462,1111 9.429,1112 28.553,1113 13.524,1114 1.7,1115 4.571,1116 24.866,1117 3.025,1118 14.947,1119 18.854,1120 8.374,1121 30.909,1122 14.61,1123 1.084,1124 4.498,1125 26.737,1126 2.49,1127 16.084,1128 20.308,1129 10.824,1130 33.292,1131 15.721,1132 0.65,1133 2.406,1134 28.611,1135 2.382,1136 17.209,1137 21.725,1138 9.674,1139 35.66,1140 16.823,1141 2454,1142 4855,1143 12.137,1144 20.409,1145 29.365,1146 30.849,1147 29.152,1148 27.718,1149 27.845,1150 38.341,1151 8.181,1152 78.991,1153 26.455,1154 5.27,1155 6.083,1156 6.275,1157 5.187,1158 5.139,1159 7.244,1160 4.069,1161 17.922,1162 5.018,1163 9.941,1164 1.546,1165 1.624,1166 1.534,1167 1.459,1168 1.466,1169 2.018,1170 0.431,1171 4.157,1172 1.392,1173 3.998,1174 4.024,1175 4.218,1176 3.968,1177 7.43,1178 3.934,1179 3.724,1180 3.744,1181 3.861,1182 3.694,1183 6.82,1184 3.652,1185 3.53,1186 3.574,1187 3.462,1188 3.309,1189 5.108,1190 3.334,1191 3.147,1192 3.208,1193 3.105,1194 2.97,1195 4.753,1196 2.992,1197 2.961,1198 3.085,1199 2.919,1200 2.687,1201 4.509,1202 2.689,1203 2.684,1204 2.765,1205 2.695,1206 2.49,1207 3.888,1208 2.494,1209 2.509,1210 2.609,1211 2.414,1212 2.368,1213 3.576,1214 2.293,1215 2.441,1216 2.516,1217 2.243,1218 2.126,1219 3.407,1220 2.141,1221 0.238,1222 0.215,1223 0.352,1224 0.217,1225 0.165,1226 4.529,1227 0.223,1228 4.083,1229 0.107,1230 6.68,1231 0.567,1232 4.114,1233 0.161,1234 3.139,1235 4.244,1236 2.035,1237 10.774,1238 3.061,1239 1.887,1240 1.86,1241 1.937,1242 2.015,1243 1.025,1244 1.994,1245 1.488,1246 1.445,1247 1.711,1248 1.722,1249 0.732,1250 1.714,1251 1.398,1252 1.36,1253 1.568,1254 1.528,1255 0.641,1256 1.546,1257 1.294,1258 1.302,1259 1.25,1260 1.298,1261 0.542,1262 1.394,1263 1.065,1264 1.012,1265 1.202,1266 1.289,1267 0.102,1268 1.274,1269 0.818,1270 0.697,1271 1.081,1272 1.195,1274 1.185,1275 0.481,1276 0.386,1277 0.839,1278 0.885,1280 0.878,1281 0.36,1282 0.27,1283 0.572,1284 0.623,1286 0.633,1287 3.664,1289 4.963,1290 2.398,1291 6.45,1292 4.443,1293 8.04,1294 6.293,1295 9.69,1297 1.389,1301 5.804,1305 2.563,1312 9.117,1313 2.037,1314 19.568,1315 50.367,1316 113.096,1317 123.851,1318 127.851,1319 127.851,1320 127.851,1321 31.262,1322 6.006,1323 91.8,1324 120.04,1325 11,1326 12.013,1327 3.807,1328 3.248,1329 30.677,1330 45,1331 44,1332 0.348,1333 129.977,1334 219.82,1335 308.904,1336 2290,1338 13.121,1339 0.729,1340 0.579,1341 13.475,1342 10.414,1343 8.613,1344 0.453,1345 0.319,1346 5.143,1347 7.828,1348 4.891,1349 4.095,1350 9.113,1351 6.066,1352 7.725,1353 0.297,1354 0.169,1355 8.223,1356 4.405,1357 5.873,1358 0.178,1359 0.089,1360 6.387,1361 2.944,1362 5.27,1363 0.12,1364 0.049,1365 5.856,1366 2.175,1367 3.418,1368 0.071,1369 0.024,1370 3.749,1371 1.132,1372 0.514,1373 58.716,1374 0.287,1375 17.669,1376 1.05,1377 90,1378 301.531,1379 117.04,1380 321.047,1381 425.41,1382 296,1383 104,1384 290.017,1385 126.023,1386 310.212,1387 442.95,1388 289,1389 5.1}
{0 CHEMBL2006580,1 1.94,2 7.389,3 3.459,4 11.963,5 73.29,6 10.683,7 0.8,8 3.424,9 3.503,10 3.344,11 3.111,12 4.686,13 3.077,14 3.841,15 3.937,16 3.738,17 3.475,18 5.12,19 3.424,20 4.011,21 4.147,22 3.825,23 3.493,24 5.254,25 3.418,26 3.965,27 4.148,28 3.617,29 3.291,30 5.185,31 3.227,32 3.781,33 3.979,34 3.28,35 3.21,36 4.883,37 3.099,38 3.62,39 3.76,40 3.32,41 3.175,42 4.822,43 3.075,44 3.621,45 3.777,46 3.208,47 3.083,48 4.843,49 2.921,50 3.272,51 3.458,52 2.678,53 2.538,54 4.471,55 2.383,56 0.095,57 0.385,58 2.09,59 1.967,60 7.746,61 1.748,62 0.154,63 0.62,64 4.867,65 3.288,66 8.71,67 3.047,68 0.244,69 0.673,70 10.908,71 4.332,72 20.338,73 3.891,74 0.335,75 0.673,76 11.356,77 4.309,78 25.984,79 4.134,80 0.227,81 0.526,82 10.719,83 3.95,84 18.705,85 4.334,86 0.158,87 0.433,88 6.063,89 2.981,90 14.124,91 3.018,92 0.196,93 0.429,94 10.883,95 3.821,96 16.649,97 3.805,98 0.16,99 0.294,100 10.602,101 2.997,102 14.94,103 2.735,104 5,105 28,106 0.375,107 0.719,108 0.82,109 0.85,110 0.85,111 0.85,112 2.961,113 0.965,114 -4.06,115 -4.01,116 -3.8,119 46.2,142 4,143 1,144 3,147 1,148 1,151 1,161 1,172 2,174 1,175 3,178 1,180 5,183 4,193 4,196 3,200 5,203 1,205 2,208 2,213 2,217 1,221 2,225 2,233 4,238 2,241 1,243 1,246 4,267 1,269 2,276 352,277 12.223,278 12.223,279 12.223,280 12.223,281 12.223,282 10.245,283 13.245,284 7.183,285 12.751,286 9.871,287 9.871,288 9.871,289 9.871,290 9.871,291 6.999,292 20.57,293 3.418,294 10.82,295 2.761,296 0.981,297 0.462,298 0.308,299 0.308,300 0.308,301 3.64,302 1,305 1,306 1,307 290,308 2,311 34.133,312 94.138,315 64.659,319 1.167,320 16.518,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 38.833,332 133,333 4.619,334 3.343,335 6.771,336 4.096,337 3.17,338 4.582,339 0.4,340 11.065,341 2.924,342 4.017,343 2.8,344 5.518,345 3.584,346 2.622,347 3.62,349 7.424,350 2.52,351 3.562,352 2.525,353 5.129,354 3.128,355 2.212,356 2.931,358 6.171,359 2.017,360 3.345,361 2.279,362 4.939,363 2.806,364 1.924,365 2.703,367 5.475,368 1.687,369 3.278,370 1.955,371 4.801,372 2.74,373 1.857,374 2.583,376 5.245,377 1.57,378 2.645,379 1.291,380 3.857,381 2.072,382 1.177,383 1.712,385 2.804,386 1.017,387 2.5,388 1,389 3.414,390 2,391 1,392 1.5,394 2.275,395 1,396 2.262,397 0.901,398 3.383,399 1.63,400 0.824,401 1.164,403 2.026,404 0.643,405 1.471,406 0.509,407 2.876,408 1.093,409 0.195,410 0.239,412 0.468,413 0.17,414 0.998,415 0.082,416 2.336,417 0.56,418 -0.344,419 -0.43,421 -0.813,422 -0.283,423 0.783,424 -0.227,425 2,426 0.158,427 -0.573,428 -0.743,430 -1.356,431 -0.381,432 0.5,433 -0.718,434 2,436 -0.926,437 -1.183,439 -2.448,440 -0.833,441 0.41,442 -1,443 2,444 -0.017,445 -1,446 -1.5,448 -3,449 -0.987,450 0.158,451 -1.077,452 1.717,453 -0.397,454 -1.213,455 -1.686,457 -3.185,458 -1,459 -0.111,460 -1.236,461 1.384,462 -0.496,463 -1.411,464 -1.869,466 -3.431,467 -1.263,468 9.081,469 0.504,470 0.435,471 0.024,472 27,473 1.5,474 15,475 0.833,476 12,477 0.667,478 11.044,479 0.614,480 17.919,481 0.689,482 15.549,483 0.864,484 5.178,485 0.288,486 3.559,487 0.198,488 0.115,490 0.33,496 0.927,497 1.037,498 0.59,499 0.656,500 0.935,501 0.637,502 0.708,503 1.046,504 0.77,505 0.933,506 0.613,507 0.845,508 1.171,509 1.26,510 0.798,511 0.876,512 1.11,513 0.992,514 0.795,515 1.082,516 0.801,517 1.007,518 0.844,519 0.99,520 0.718,521 0.736,522 0.914,523 0.779,524 0.594,525 0.903,526 1.021,527 0.831,528 0.973,529 0.812,530 0.958,531 0.96,532 0.96,533 0.997,534 1.529,535 1.352,536 0.888,537 1.319,538 1.609,539 0.988,540 1.79,541 1.507,542 1.648,543 1.307,544 3.5,546 2,547 1.285,548 0.756,549 0.385,550 0.292,551 0.174,552 0.141,553 0.04,554 2801,555 10458,556 2.12,557 30.8,559 4,560 1,561 1,562 2,567 1.587,568 2,569 2.883,570 0.483,574 1,577 50.437,578 1.94,579 3.719,580 4.239,581 4.393,582 4.393,583 4.393,584 2.261,585 3.684,586 4.145,587 3.008,588 460.155,589 7.034,590 4276.5,591 1,592 1,594 1,595 122.211,596 1.352,597 4.109,598 0.175,600 0.071,601 0.049,602 0.036,603 0.023,604 0.017,605 0.013,606 0.02,607 0.01,608 0.415,609 0.67,610 1,611 0.584,612 75.522,613 -0.188,614 -0.032,615 -0.01,616 0.111,617 -0.207,618 0.078,619 0.008,620 -0.008,621 -0.047,622 -0.083,623 0.022,624 -0.078,625 -0.199,626 -0.287,627 0.069,628 -0.01,629 -0.171,630 -0.118,631 0.165,632 -0.064,633 0.105,634 -0.083,635 0.025,636 -0.007,637 0.037,638 0.193,639 0.016,640 0.155,641 0.065,642 0.17,643 -0.188,644 0.074,645 -0.071,646 0.082,647 -0.143,648 -0.017,649 -0.021,650 -0.091,651 -0.265,652 -0.214,653 0.031,654 -0.238,655 -0.302,656 -0.073,657 -0.344,658 -0.243,659 -0.204,660 -0.125,661 1.443,662 3.233,663 0.833,664 10.222,665 1.026,666 1.108,667 2.831,668 8.012,669 0.779,670 3.045,671 3.367,672 3.638,673 3.912,674 4.078,675 4.043,676 4.111,677 4.205,678 4.159,679 4.043,680 4.536,681 0.745,682 277.75,683 3.045,684 4.575,685 5.425,686 6.304,687 7.172,688 8.057,689 8.932,690 9.818,691 10.697,692 11.585,693 11.5,701 1,703 2,708 2,709 6,710 2,713 1,714 4,716 16,728 1,732 1,734 1,735 26,737 16,738 1,739 20,741 28,742 12,743 12,744 2,745 4,748 3,749 4,750 1,762 12,780 1,783 8,784 4,785 2,786 6,787 2,792 3,797 0.667,798 1,810 1,815 1,816 2,819 1,843 2,845 1,848 1,851 18,857 1,860 1,869 1,873 1,874 3.8,876 1,881 9,882 4.66,883 3.917,884 1.368,886 3.121,887 1.48,888 1.003,889 3.055,890 9.628,891 3.367,892 4.039,893 4.674,894 5.302,895 5.791,896 6.005,897 6.383,898 6.813,899 6.943,900 7.176,901 0.8,902 26,903 6.571,905 2.804,906 7.858,907 12.317,909 10.022,911 2.358,912 42.444,913 0.001,916 70.627,917 96.926,918 51.582,919 39.149,920 42.683,922 31.278,923 65.648,924 152.459,925 51.582,928 45.554,929 88.342,930 35.46,931 14.099,932 78.362,933 39.149,934 70.627,935 117.23,936 42.683,937 70.426,939 70.627,940 42.683,943 26.946,944 56.712,945 72.72,946 31.278,947 70.627,948 94.265,949 136.074,952 70.627,953 42.753,954 54.173,955 18.011,956 115.403,957 70.627,958 94.265,959 136.074,961 0.584,962 0.341,963 0.187,964 0.1,965 15,966 6,967 0.071,968 2,969 1,970 1.133,971 3.081,972 131.287,973 0.133,974 15,975 71.059,977 1,981 11.687,982 4.706,983 2.291,984 1.661,985 94.265,986 10.083,987 8.357,990 1.478,991 2.353,993 60.694,994 300.966,995 28,1007 26.684,1008 28.814,1009 0.413,1010 0.791,1011 0.902,1012 0.935,1013 0.935,1014 0.935,1015 4.575,1016 0.824,1017 5.407,1018 2.275,1019 4.043,1020 4.723,1021 0.278,1022 6.213,1023 3.87,1024 5.805,1025 0.195,1026 6.959,1027 2.026,1028 3.611,1029 4.559,1031 7.116,1032 3.341,1033 7.122,1034 -0.344,1035 8.612,1036 0.468,1037 5.624,1038 7.023,1039 0.05,1040 10.229,1041 5.318,1042 8.479,1043 -0.573,1044 10.327,1045 -0.813,1046 6.019,1047 7.725,1049 12.031,1050 5.615,1051 9.869,1052 -0.926,1053 12.083,1054 -1.356,1055 7.504,1056 9.637,1057 0.008,1058 14.668,1059 7.066,1060 11.285,1061 -1,1062 13.872,1063 -2.448,1064 8.295,1065 10.765,1067 16.843,1068 7.756,1069 12.72,1070 -1.213,1071 15.685,1072 -3,1073 9.568,1074 12.445,1075 0.001,1076 19.325,1077 8.983,1078 3.17,1079 -1.411,1080 17.518,1081 -3.185,1082 10.551,1083 13.784,1085 21.645,1086 9.865,1087 2.622,1088 11.065,1089 19.367,1090 -3.431,1091 11.739,1092 15.366,1094 24.075,1095 10.995,1096 2.212,1097 7.424,1098 21.229,1099 4.582,1100 12.811,1101 16.803,1103 26.448,1104 11.97,1105 1.924,1106 6.171,1107 23.102,1108 3.62,1109 13.969,1110 18.346,1112 28.861,1113 13.058,1114 1.857,1115 5.475,1116 24.983,1117 2.931,1118 15.082,1119 19.828,1121 31.253,1122 14.078,1123 1.177,1124 5.245,1125 26.871,1126 2.703,1127 16.231,1128 21.356,1130 33.659,1131 15.15,1132 1,1133 2.804,1134 28.764,1135 2.583,1136 17.364,1137 22.859,1139 36.059,1140 16.193,1141 2728,1142 5379,1143 13.523,1144 20.261,1145 30.199,1146 30.31,1147 30.979,1148 30.099,1149 29.962,1150 42.065,1151 0.8,1152 85.906,1153 27.097,1154 5.38,1155 5.343,1156 6.307,1157 5.208,1158 5.17,1159 7.582,1160 0.8,1161 17.93,1162 4.924,1163 7.149,1164 1.51,1165 1.516,1166 1.549,1167 1.505,1168 1.498,1169 2.103,1170 0.04,1171 4.295,1172 1.355,1173 4.055,1174 4.075,1175 4.362,1176 4.038,1177 6.471,1178 3.992,1179 3.871,1180 3.892,1181 3.842,1182 3.807,1183 5.11,1184 3.801,1185 3.297,1186 3.34,1187 3.499,1188 3.156,1189 4.706,1190 3.145,1191 3.079,1192 3.139,1193 3.422,1194 2.859,1195 4.626,1196 2.88,1197 2.854,1198 2.925,1199 2.963,1200 2.735,1201 4.083,1202 2.715,1203 2.72,1204 2.751,1205 2.687,1206 2.629,1207 3.88,1208 2.576,1209 2.373,1210 2.421,1211 2.587,1212 2.259,1213 3.674,1214 2.228,1215 2.248,1216 2.319,1217 2.203,1218 2.023,1219 3.454,1220 1.982,1221 0.231,1222 0.167,1223 0.339,1224 0.205,1225 0.158,1226 4.619,1227 0.229,1228 3.343,1229 0.02,1230 6.771,1231 0.553,1232 4.096,1233 0.146,1234 3.17,1235 4.582,1236 0.4,1237 11.065,1238 2.924,1239 1.899,1240 1.872,1241 1.992,1242 2.022,1243 1.067,1244 2.013,1245 1.756,1246 1.733,1247 1.776,1248 1.879,1249 0.91,1250 1.866,1251 1.369,1252 1.378,1253 1.308,1254 1.396,1255 0.559,1256 1.456,1257 0.965,1258 0.921,1259 1.181,1260 1.246,1261 0.218,1262 1.217,1263 0.886,1264 0.821,1265 1.137,1266 1.062,1267 0.151,1268 1.107,1269 0.808,1270 0.768,1271 0.886,1272 0.913,1273 0.016,1274 0.967,1275 0.491,1276 0.425,1277 0.742,1278 0.868,1280 0.839,1283 0.523,1284 0.474,1286 0.497,1287 3.714,1289 5.03,1290 2.398,1291 6.544,1292 4.727,1293 8.148,1294 6.823,1295 9.8,1298 6.12,1302 9.233,1305 3.161,1314 19.374,1315 50.437,1316 96.702,1317 110.211,1318 114.211,1319 114.211,1320 114.211,1321 21.374,1322 6.507,1323 58.04,1324 86.28,1325 17,1326 12.117,1327 4.087,1328 3.17,1329 25.729,1330 48,1331 52,1332 0.267,1333 127.05,1334 203.41,1335 301.761,1336 5032,1337 3.8,1338 12.535,1339 0.696,1340 0.592,1341 13.389,1342 10.664,1343 8.737,1344 0.437,1345 0.322,1346 5.219,1347 7.749,1348 5.011,1349 4.136,1350 9.48,1351 6.434,1352 7.945,1353 0.284,1354 0.176,1355 8.866,1356 4.923,1357 6.66,1358 0.18,1359 0.102,1360 7.803,1361 3.769,1362 5.615,1363 0.115,1364 0.056,1365 6.834,1366 2.751,1367 4.485,1368 0.077,1369 0.029,1370 5.464,1371 1.688,1372 0.405,1373 62.034,1374 0.272,1375 17.871,1376 0.77,1377 96,1378 304.837,1379 142.068,1380 350.574,1381 469.14,1382 326,1383 113,1384 309.476,1385 155.503,1386 339.183,1387 495.71,1388 318,1389 5.1}
{0 CHEMBL2006581,1 1.962,2 9.72,3 1.517,4 2.301,5 95.991,6 9.164,7 0.462,8 3.85,9 3.948,10 3.718,11 3.39,12 5.048,13 3.366,14 4.347,15 4.478,16 3.987,17 3.725,18 5.856,19 3.696,20 4.558,21 4.713,22 4.151,23 3.841,24 5.931,25 3.803,26 4.575,27 4.726,28 4.029,29 3.811,30 5.937,31 3.764,32 4.639,33 4.825,34 3.902,35 3.739,36 6.073,37 3.686,38 4.522,39 4.727,40 3.794,41 3.636,42 5.821,43 3.567,44 4.392,45 4.589,46 3.688,47 3.517,48 5.921,49 3.46,50 4.296,51 4.51,52 3.586,53 3.466,54 5.605,55 3.379,56 0.192,57 0.641,58 8.825,59 3.833,60 32.752,61 4.004,62 0.548,63 0.914,64 15.982,65 6.495,66 80.937,67 7.27,68 0.719,69 1.045,70 22.297,71 7.824,72 84.73,73 8.621,74 0.634,75 1.071,76 26.241,77 8.062,78 84.189,79 8.694,80 1,81 1.043,82 26.533,83 7.548,84 120.235,85 8.502,86 0.773,87 0.904,88 26.375,89 7.139,90 111.243,91 8.408,92 0.739,93 0.822,94 19.804,95 6.031,96 128.463,97 7.327,98 0.598,99 0.75,100 21.376,101 6.208,102 79.998,103 7.33,104 55,105 37,106 0.344,107 0.71,108 0.827,109 0.876,110 0.884,111 0.884,112 3.267,113 1.054,114 -2.02,115 -2.07,116 -2.06,119 35.7,120 1,125 2,142 5,143 1,144 3,146 1,147 1,158 1,163 2,164 2,165 2,172 4,174 2,175 2,177 2,178 3,180 2,183 4,185 1,187 1,188 7,191 1,193 5,196 3,198 3,200 7,202 2,203 2,205 4,210 2,212 1,213 4,215 1,216 4,217 2,218 2,220 2,221 2,223 1,225 4,230 2,233 2,235 1,237 2,238 5,240 1,241 1,243 2,246 2,248 1,249 2,250 4,252 1,253 1,255 2,258 2,260 2,264 2,269 2,272 2,274 2,276 871,277 16.032,278 16.032,279 16.032,280 16.032,281 16.032,282 14.059,283 16.638,284 9.37,285 16.581,286 12.75,287 12.75,288 12.75,289 12.75,290 12.75,291 9.665,292 15.513,293 4.322,294 13.643,295 3.431,296 1.345,297 0.675,298 0.399,299 0.351,300 0.351,301 3.922,302 1,304 1,305 1,306 1,307 492,308 4,312 182.946,319 1.536,320 44.054,323 1,324 1,325 1,326 0.6,328 0.83,329 0.5,330 0.7,331 56.333,332 243,333 4.842,334 4.685,335 7.247,336 4.295,337 3.375,338 4.704,339 1.081,340 12.232,341 3.078,342 4.424,343 3.583,344 6.419,345 3.986,346 3.053,347 4.114,348 0.86,349 9.795,350 2.857,351 3.926,352 3.323,353 5.926,354 3.554,355 2.594,356 3.413,357 0.473,358 8.137,359 2.442,360 3.83,361 2.643,362 5.585,363 3.372,364 2.382,365 3.241,367 7.327,368 2.339,369 3.31,370 2.43,371 5.057,372 2.92,373 2.007,374 2.556,376 5.754,377 1.824,378 2.96,379 2.009,380 4.309,381 2.55,382 1.579,383 2.123,385 3.998,386 1.53,387 2.804,388 1.665,389 4.097,390 2.304,391 1.334,392 1.859,394 3.336,395 1.266,396 2.661,397 1.599,398 3.615,399 2.147,400 1.155,401 1.713,403 2.826,404 1.141,405 2.212,406 1.289,407 3.427,408 2.017,409 1.129,410 1.197,412 2.098,413 0.98,414 1.805,415 1.079,416 3.074,417 1.488,418 0.538,419 0.636,421 1.206,422 0.488,423 1.482,424 1.034,425 2.771,426 1.084,427 0.264,428 0.303,430 0.537,431 0.189,432 1,433 0.362,434 2.639,435 0.634,436 -0.292,437 -0.354,439 -0.606,440 -0.268,441 1,442 -0.087,443 2.531,444 0.537,445 -0.441,446 -0.551,448 -1.069,449 -0.421,450 0.935,451 -0.186,452 2.059,453 0.167,454 -0.778,455 -0.916,457 -1.628,458 -0.686,459 0.618,460 -0.494,461 2,462 0.133,463 -0.852,464 -1.138,466 -2.087,467 -0.827,468 11.981,469 0.479,470 0.851,471 0.034,472 33.25,473 1.33,474 17.5,475 0.7,476 15.75,477 0.63,478 19.35,479 0.774,480 28.219,481 0.672,482 26.786,483 1.071,484 6.543,485 0.262,486 5.192,487 0.208,488 0.252,489 0.07,490 0.292,496 0.716,497 1.299,498 0.722,499 1.145,500 0.798,501 0.866,502 0.696,503 1.128,504 0.766,505 0.963,506 0.511,507 0.878,508 0.979,509 1.085,510 0.813,511 0.952,512 0.948,513 0.912,514 1.154,515 1.375,516 1.266,517 1.346,518 1.144,519 1.189,520 1.226,521 0.868,522 1.09,523 0.884,524 1.256,525 1.035,526 1.124,527 0.92,528 1.014,529 0.943,530 1.225,531 1.019,532 0.975,533 0.942,534 0.789,535 0.811,536 0.938,537 0.929,538 0.99,539 0.773,540 0.963,541 0.805,542 0.998,543 0.845,544 6.5,545 0.194,546 3.778,547 2.25,548 1.684,549 1.076,550 0.509,551 0.309,552 0.292,553 0.294,554 6326,555 25239,556 1.897,557 40.5,559 9,562 5,564 3,567 1.681,568 1.714,569 3.25,570 2.726,571 1,572 1,577 82.387,578 1.962,579 4.048,580 4.717,581 4.993,582 5.041,583 5.041,584 2.68,585 4.374,586 4.62,587 3.45,588 1034.91,589 7.991,590 12769.4,591 1,592 1,594 1,595 226.477,596 1.743,597 4.522,598 0.25,599 0.01,600 0.102,601 0.058,602 0.047,603 0.035,604 0.02,605 0.012,606 0.013,607 0.013,608 0.559,609 0.17,610 1,611 1.177,612 120.858,613 -0.055,614 -0.008,615 0.114,616 -0.017,617 -0.212,618 0.074,619 0.18,620 -0.014,621 0.044,622 0.038,623 0.274,624 0.063,626 -0.06,627 0.094,628 0.021,629 -0.035,630 0.039,631 -0.181,632 -0.312,633 -0.236,634 -0.303,635 -0.134,636 -0.242,637 -0.103,638 0.122,639 -0.201,640 -0.018,641 -0.118,642 -0.141,643 -0.13,644 0.003,645 -0.058,646 -0.055,647 -0.162,648 -0.051,649 0.042,650 0.003,651 0.022,652 0.057,653 0.17,654 0.017,655 -0.05,656 0.17,657 0.01,658 0.156,659 -0.027,660 0.155,661 4.813,662 5.29,663 0.48,664 19.846,665 1.031,666 1.133,667 0.785,668 0.617,669 0.683,670 3.296,671 3.638,672 3.829,673 4.007,674 4.159,675 4.111,676 4.078,677 3.951,678 3.989,679 4.111,680 6.11,681 0.658,682 384.88,683 3.296,684 4.844,685 5.673,686 6.555,687 7.407,688 8.289,689 9.147,690 10.028,691 10.889,692 11.769,693 9.5,697 2,700 1,703 1,709 5,710 1,714 6,716 12,723 1,727 1,733 1,734 1,735 42,737 15,738 1,739 26,741 43,742 15,743 11,744 2,745 4,746 1,748 2,749 2,750 1,754 1,762 12,763 3,767 3,770 1,772 3,776 1,779 1,780 1,783 17,784 8,785 5,786 10,787 2,792 4,797 1,798 4,809 1,816 2,843 2,845 1,847 1,848 1,851 25,852 2,855 1,858 2,860 1,861 1,873 1,874 9.5,877 3,879 1,881 14.583,882 7.51,883 5.528,884 2.268,886 2.447,887 1.368,888 0.965,889 6.241,890 9.098,891 3.584,892 4.22,893 4.682,894 5.173,895 5.639,896 5.716,897 5.852,898 5.671,899 5.905,900 6.255,901 1,902 39,903 9.485,905 4.287,906 8.288,907 16.714,909 13.235,911 2.788,912 69.694,916 141.253,917 91.982,918 98.985,919 39.149,920 80.458,922 5.807,923 86.174,924 260.86,925 98.985,926 8.825,927 24.709,928 117.377,929 90.948,930 24.75,931 4.815,932 141.253,933 39.149,934 141.253,935 185.159,936 80.458,937 44.956,939 105.94,940 115.771,943 36.291,944 132.083,945 61.742,947 141.253,948 179.443,949 131.13,951 5.807,952 141.253,953 29.968,954 56.206,955 18.011,956 200.581,957 141.253,958 179.443,959 131.13,961 0.588,962 0.336,963 0.171,964 0.093,965 16,966 9,967 0.14,968 6,970 1,971 3.508,972 195.286,974 12,975 114.096,980 1,981 19.467,982 8.015,983 4.827,985 179.443,986 7.409,987 4.017,991 0.616,993 82.199,994 451.826,995 35,998 -3.897,1000 35.435,1004 -0.562,1007 43.302,1008 47.601,1009 0.364,1010 0.751,1011 0.875,1012 0.926,1013 0.935,1014 0.935,1015 4.828,1016 1.155,1017 5.72,1018 3.336,1019 4.317,1020 4.905,1021 1.661,1022 6.581,1023 4.188,1024 6.092,1025 1.129,1026 7.331,1027 2.826,1028 4.205,1029 5.112,1031 7.808,1032 3.985,1033 7.461,1034 0.538,1035 9.057,1036 2.098,1037 6.019,1038 7.25,1039 1.594,1040 10.818,1041 5.75,1042 8.872,1043 0.264,1044 10.849,1045 1.206,1046 6.673,1047 8.223,1049 12.816,1050 6.287,1051 10.316,1052 -0.292,1053 12.683,1054 0.537,1055 8.058,1056 9.949,1057 1.614,1058 15.449,1059 7.624,1060 11.783,1061 -0.441,1062 14.546,1063 -0.606,1064 9.024,1065 11.231,1067 17.741,1068 8.469,1069 13.269,1070 -0.778,1071 16.429,1072 -1.069,1073 10.269,1074 12.823,1075 1.674,1076 20.267,1077 9.653,1078 3.375,1079 -0.852,1080 18.328,1081 -1.628,1082 11.365,1083 14.24,1085 22.677,1086 10.634,1087 3.053,1088 12.232,1089 20.239,1090 -2.087,1091 12.566,1092 15.787,1093 1.758,1094 25.175,1095 11.761,1096 2.594,1097 9.795,1098 22.161,1099 4.704,1100 13.717,1101 17.264,1103 27.636,1104 12.805,1105 2.382,1106 8.137,1107 24.091,1108 4.114,1109 14.909,1110 18.799,1111 1.859,1112 30.129,1113 13.913,1114 2.007,1115 7.327,1116 26.028,1117 3.413,1118 16.085,1119 20.306,1121 32.611,1122 14.987,1123 1.579,1124 5.754,1125 27.972,1126 3.241,1127 17.277,1128 21.838,1129 1.973,1130 35.106,1131 16.09,1132 1.334,1133 3.998,1134 29.92,1135 2.556,1136 18.465,1137 23.36,1139 37.598,1140 17.18,1141 6517,1142 13160,1143 16.008,1144 28.676,1145 38.899,1146 41.785,1147 40.588,1148 38.784,1149 38.819,1150 51.721,1151 4.827,1152 114.496,1153 36.267,1154 5.723,1155 6.685,1156 7.01,1157 5.35,1158 5.375,1159 7.704,1160 2.162,1161 19.718,1162 5.078,1163 16.731,1164 1.496,1165 1.607,1166 1.561,1167 1.492,1168 1.493,1169 1.989,1170 0.186,1171 4.404,1172 1.395,1173 4.077,1174 4.063,1175 4.73,1176 4.064,1177 7.726,1178 3.983,1179 3.918,1180 3.938,1181 4.029,1182 3.797,1183 7.429,1184 3.811,1185 3.644,1186 3.637,1187 3.732,1188 3.556,1189 6.999,1190 3.471,1191 3.494,1192 3.552,1193 3.502,1194 3.277,1195 5.183,1196 3.283,1197 3.406,1198 3.47,1199 3.293,1200 3.198,1201 4.831,1202 3.206,1203 3.054,1204 3.124,1205 3.126,1206 2.908,1207 4.806,1208 2.905,1209 2.937,1210 3.002,1211 2.878,1212 2.663,1213 4.675,1214 2.688,1215 2.749,1216 2.83,1217 2.742,1218 2.594,1219 4.475,1220 2.579,1221 0.186,1222 0.18,1223 0.279,1224 0.165,1225 0.13,1226 4.842,1227 0.181,1228 4.685,1229 0.042,1230 7.247,1231 0.47,1232 4.295,1233 0.118,1234 3.375,1235 4.704,1236 1.081,1237 12.232,1238 3.078,1239 1.975,1240 1.979,1241 2.017,1242 2.05,1243 1.227,1244 2.079,1245 1.83,1246 1.81,1247 1.88,1248 1.975,1249 0.973,1250 1.957,1251 1.469,1252 1.488,1253 1.778,1254 1.716,1255 0.898,1256 1.738,1257 1.452,1258 1.395,1259 1.549,1260 1.653,1261 0.692,1262 1.693,1263 1.336,1264 1.277,1265 1.278,1266 1.581,1267 0.511,1268 1.578,1269 0.996,1270 0.964,1271 1.192,1272 1.273,1273 0.165,1274 1.261,1275 0.829,1276 0.756,1277 1.09,1278 1.132,1279 0.114,1280 1.118,1281 0.756,1282 0.684,1283 1.053,1284 0.983,1285 0.056,1286 1.019,1287 3.97,1289 5.303,1291 6.828,1293 8.441,1295 10.101,1297 1.741,1298 5.968,1301 10.914,1303 0.249,1305 2.568,1306 5.236,1314 27.647,1315 82.387,1316 169.997,1317 198.113,1318 209.722,1319 211.722,1320 211.722,1321 75.739,1322 6.65,1323 137.4,1324 145.78,1325 12,1326 12.309,1327 4,1328 3.322,1329 51.67,1330 93,1331 86,1332 0.276,1333 182.003,1334 315.94,1335 435.847,1336 6122,1337 2.4,1338 18.613,1339 0.745,1340 0.596,1341 19.363,1342 14.895,1343 11.735,1344 0.451,1345 0.351,1346 7.251,1347 10.204,1348 6.924,1349 5.754,1350 12.918,1351 9.138,1352 11.188,1353 0.302,1354 0.186,1355 12.89,1356 6.892,1357 8.4,1358 0.187,1359 0.102,1360 9.666,1361 4.579,1362 6.479,1363 0.12,1364 0.055,1365 7.403,1366 2.992,1367 5.051,1368 0.08,1369 0.029,1370 5.801,1371 1.855,1372 0.433,1373 86.418,1374 0.25,1375 24.187,1376 0.759,1377 126,1378 470.608,1379 190.73,1380 499.225,1381 646.24,1382 454,1383 145,1384 411.634,1385 216.135,1386 459.196,1387 665.61,1388 427,1389 5.1}
{0 CHEMBL2006631,1 1.672,2 9.5,3 3.495,4 12.213,5 109.227,6 8.372,7 0.581,8 3.964,9 4.059,10 3.781,11 3.593,12 5.082,13 3.553,14 4.481,15 4.618,16 4.115,17 3.993,18 5.798,19 3.943,20 4.749,21 4.884,22 4.265,23 4.21,24 5.99,25 4.144,26 4.933,27 5.114,28 4.203,29 4.191,30 6.225,31 4.128,32 4.811,33 4.984,34 4.084,35 4.152,36 6.044,37 4.071,38 4.776,39 4.978,40 3.903,41 4.05,42 5.899,43 3.94,44 4.668,45 4.892,46 3.779,47 3.919,48 5.75,49 3.79,50 4.553,51 4.787,52 3.798,53 3.764,54 5.616,55 3.654,56 0.097,57 0.7,58 10.642,59 4.463,60 15.221,61 4.93,62 0.374,63 1.123,64 16.688,65 7.273,66 45.097,67 8.544,68 0.214,69 1.466,70 27.853,71 11.119,72 34.098,73 11.968,74 0.618,75 1.606,76 32.343,77 11.744,78 103.706,79 12.887,80 0.376,81 1.443,82 27.785,83 11.02,84 63.933,85 12.55,86 0.363,87 1.37,88 26.832,89 10.642,90 63.269,91 13.069,92 0.363,93 1.247,94 24.86,95 9.89,96 48.318,97 12.628,98 0.293,99 1.108,100 24.503,101 8.793,102 50.121,103 10.978,104 28,105 46,106 0.281,107 0.543,108 0.66,109 0.796,110 0.842,111 0.856,112 3.376,113 0.982,114 -3.51,115 -3.49,116 -3.33,119 44.7,124 2,142 11,143 3,144 4,158 1,172 12,174 3,175 1,178 1,180 5,183 13,188 7,192 1,193 7,196 10,200 12,203 1,205 6,208 10,213 12,218 2,221 12,225 5,230 3,233 11,238 4,241 3,243 2,246 7,250 2,255 2,258 5,263 3,264 4,267 3,269 1,272 6,276 1078,277 18.548,278 18.548,279 18.548,280 18.548,281 18.548,282 16.052,283 20.97,284 10.618,285 18.804,286 15.266,287 15.266,288 15.266,289 15.266,290 15.266,291 11.34,292 31.62,293 4.977,294 15.706,295 3.882,296 2.322,297 1.624,298 0.814,299 0.543,300 0.458,301 4.069,305 1,306 1,307 574,308 3.606,312 191.91,313 58.914,317 197.24,319 1.429,320 36.414,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 60.5,332 266,333 4.958,334 4.74,335 7.691,336 4.461,337 3.535,338 4.801,339 1.058,340 13.702,341 3.255,342 4.458,343 3.622,344 6.548,345 4.099,346 3.116,347 4.104,348 0.4,349 10.336,350 3.056,351 4.174,352 2.95,353 6.318,354 3.783,355 2.797,356 3.784,357 0.4,358 9.367,359 2.753,360 4.002,361 2.856,362 6.064,363 3.605,364 2.61,365 3.544,367 8.713,368 2.592,369 3.501,370 2.538,371 5.327,372 3.116,373 2.134,374 2.826,376 6.35,377 2.087,378 3.23,379 2.159,380 5.094,381 2.837,382 1.862,383 2.45,385 5.416,386 1.812,387 2.916,388 1.755,389 4.328,390 2.454,391 1.466,392 2.098,394 3.663,395 1.448,396 2.788,397 1.642,398 4.172,399 2.406,400 1.459,401 1.894,403 3.42,404 1.371,405 2.757,406 1.503,407 3.91,408 2.317,409 1.325,410 1.856,412 3.182,413 1.311,414 2.698,415 1.316,416 3.694,417 2.225,418 1.225,419 1.767,421 2.87,422 1.222,423 2.517,424 1.133,425 3.598,426 2.009,427 1,428 1.486,430 2.601,431 1.005,432 2.434,433 1.064,434 3.548,435 1.975,436 1,437 1.345,439 2.419,440 0.973,441 1.522,442 0.611,443 2.966,444 1.15,445 0.169,446 0.216,448 0.422,449 0.164,450 1.243,451 0.208,452 2.84,453 0.926,454 -0.04,455 -0.048,457 -0.107,458 -0.038,459 1.004,460 0.133,461 2.707,462 0.598,463 -0.392,464 -0.522,466 -1.034,467 -0.382,468 13.533,469 0.483,470 0.883,471 0.032,472 41.25,473 1.473,474 23.5,475 0.839,476 17.75,477 0.634,478 20.002,479 0.714,480 29.067,481 0.618,482 34.106,483 1.218,484 8.134,485 0.291,486 5.241,487 0.187,488 0.148,489 0.062,490 0.325,496 0.547,497 1.237,498 0.791,499 1.13,500 0.622,501 0.869,502 0.594,503 0.923,504 0.75,505 0.785,506 0.545,507 0.786,508 0.905,509 1.286,510 1.32,511 1.366,512 0.798,513 1.076,514 1.567,515 0.926,516 1.064,517 0.874,518 1.592,519 0.917,520 1.188,521 1.004,522 1.1,523 1.041,524 1.148,525 1.044,526 0.996,527 1.032,528 0.961,529 1.015,530 1.028,531 1.103,532 0.638,533 0.968,534 0.885,535 0.991,536 0.704,537 1.074,538 0.832,539 1.001,540 0.764,541 0.934,542 0.881,543 0.879,544 6.5,545 0.151,546 4.444,547 2.438,548 2.141,549 1.177,550 0.718,551 0.511,552 0.381,553 0.291,554 8741,555 25788,556 2.064,557 40.4,559 17,562 2,567 1.715,568 1.898,569 3.229,570 0.247,572 1,577 78.607,578 1.672,579 3.233,580 3.931,581 4.74,582 5.012,583 5.097,584 2.641,585 4.352,586 4.784,587 3.37,588 1273.95,589 8.341,590 16055.8,592 1,594 1,595 261.066,596 1.656,597 4.716,598 0.21,599 0.008,600 0.097,601 0.045,602 0.044,603 0.026,604 0.02,605 0.016,606 0.013,607 0.01,608 0.489,609 0.5,610 1,611 0.959,612 137.398,613 0.067,614 -0.108,615 0.201,616 -0.06,617 -0.139,618 0.039,619 0.25,620 0.169,621 0.135,622 0.168,623 0.185,624 0.113,625 -0.047,626 -0.214,627 -0.173,628 -0.238,629 0.032,630 -0.124,631 -0.24,632 0.059,633 -0.101,634 0.07,635 -0.183,636 0.011,637 -0.177,638 -0.028,639 -0.162,640 -0.068,641 -0.091,642 -0.088,643 -0.105,644 -0.104,645 -0.083,646 -0.082,647 -0.105,648 -0.11,649 0.121,650 -0.03,651 0.028,652 -0.045,653 0.015,654 -0.054,655 0.053,656 -0.062,657 0.276,658 0.07,659 -0.012,660 0.159,661 4.527,662 5.732,663 0.75,664 21.571,665 1.009,666 1.114,667 2.283,668 5.212,669 0.705,670 3.466,671 3.85,672 4.159,673 4.407,674 4.682,675 4.812,676 4.977,677 5.124,678 5.303,679 5.407,680 5.798,681 0.673,682 393.5,683 3.466,684 5.043,685 5.922,686 6.828,687 7.725,688 8.634,689 9.537,690 10.446,691 11.352,692 12.262,693 6.4,696 1,700 1,701 1,709 11,714 7,716 18,723 1,728 1,735 47,737 21,738 3,739 31,741 50,742 21,743 18,744 7,745 11,746 1,748 4,749 7,762 19,763 2,767 3,770 1,772 3,776 1,780 1,783 19,784 6,785 2,786 7,787 1,792 3,797 0.5,798 3,816 3,817 1,821 2,843 2,845 1,847 2,851 28,855 1,860 2,864 1,874 6.4,877 3,881 14.75,882 9.033,883 5.972,884 2.579,886 3.894,887 1.49,888 1.031,889 4.615,890 11.844,891 3.784,892 4.449,893 5.029,894 5.584,895 6.164,896 6.466,897 6.939,898 7.343,899 7.803,900 8.133,901 1,902 54,903 10.607,905 4.879,906 7.938,907 19.54,909 16.471,911 2.438,912 68.25,915 1,916 200.109,917 150.921,918 37.54,920 69.458,922 5.807,923 145.114,924 269.567,925 37.54,926 16.793,927 18.011,928 110.046,929 74.163,930 38.907,932 200.109,934 200.109,935 182.654,936 69.458,937 5.807,939 200.109,940 69.458,943 37.54,944 145.114,945 5.807,947 200.109,948 106.998,949 150.921,951 5.807,952 200.109,953 24.082,954 122.55,955 36.022,956 69.458,957 200.109,958 106.998,959 150.921,961 0.6,962 0.364,963 0.187,964 0.104,965 24,966 11,967 0.06,968 3,969 2,970 1.19,971 3.734,972 260.828,973 0.19,974 21,975 130.606,980 1,981 18.541,982 6.969,983 3.291,985 106.998,986 19.564,991 4.1,993 36.022,994 458.028,995 43,998 -3.61,1000 38.041,1004 -0.215,1007 47.433,1008 52.365,1009 0.301,1010 0.582,1011 0.708,1012 0.853,1013 0.902,1014 0.918,1015 5.047,1016 1.459,1017 5.964,1018 3.663,1019 4.533,1020 5.136,1021 1.356,1022 6.872,1023 4.473,1024 6.308,1025 1.325,1026 7.598,1027 3.42,1028 4.369,1029 5.223,1031 8.162,1032 4.239,1033 7.673,1034 1.225,1035 9.351,1036 3.182,1037 6.263,1038 7.471,1039 1.284,1040 11.257,1041 6.116,1042 9.084,1043 1,1044 11.175,1045 2.87,1046 6.919,1047 8.376,1049 13.377,1050 6.679,1051 10.531,1052 1,1053 13.047,1054 2.601,1055 8.352,1056 10.161,1057 1.342,1058 16.088,1059 8.085,1060 12.006,1061 0.169,1062 14.952,1063 2.419,1064 9.346,1065 11.415,1067 18.51,1068 8.981,1069 13.503,1070 -0.04,1071 16.882,1072 0.422,1073 10.629,1074 13.038,1075 1.423,1076 21.13,1077 10.217,1078 3.535,1079 -0.392,1080 18.831,1081 -0.107,1082 11.762,1083 14.448,1085 23.667,1086 11.255,1087 3.116,1088 13.702,1089 20.794,1090 -1.034,1091 13.002,1092 16.015,1093 1.51,1094 26.272,1095 12.43,1096 2.797,1097 10.336,1098 22.771,1099 4.801,1100 14.194,1101 17.498,1103 28.854,1104 13.53,1105 2.61,1106 9.367,1107 24.757,1108 4.104,1109 15.427,1110 19.049,1111 1.599,1112 31.461,1113 14.686,1114 2.134,1115 8.713,1116 26.752,1117 3.784,1118 16.646,1119 20.569,1121 34.062,1122 15.814,1123 1.862,1124 6.35,1125 28.755,1126 3.544,1127 17.882,1128 22.118,1129 1.69,1130 36.672,1131 16.967,1132 1.466,1133 5.416,1134 30.763,1135 2.826,1136 19.116,1137 23.657,1139 39.282,1140 18.11,1141 8408,1142 14579,1143 20.285,1144 33.12,1145 47.847,1146 49.281,1147 49.357,1148 47.459,1149 47.393,1150 64.345,1151 3.717,1152 144.92,1153 46.103,1154 5.791,1155 6.74,1156 7.375,1157 5.509,1158 5.535,1159 7.801,1160 2.117,1161 21.893,1162 5.255,1163 14.917,1164 1.543,1165 1.59,1166 1.592,1167 1.531,1168 1.529,1169 2.076,1170 0.12,1171 4.675,1172 1.487,1173 4.127,1174 4.125,1175 4.741,1176 4.108,1177 7.715,1178 4.052,1179 3.982,1180 3.993,1181 3.996,1182 3.905,1183 7.429,1184 3.885,1185 3.8,1186 3.817,1187 3.789,1188 3.749,1189 6.999,1190 3.726,1191 3.645,1192 3.678,1193 3.62,1194 3.553,1195 4.851,1196 3.508,1197 3.303,1198 3.338,1199 3.248,1200 3.107,1201 4.721,1202 3.134,1203 3.21,1204 3.247,1205 3.087,1206 3.002,1207 4.537,1208 2.966,1209 3.073,1210 3.149,1211 2.969,1212 2.888,1213 4.173,1214 2.898,1215 2.886,1216 3.009,1217 2.775,1218 2.775,1219 3.984,1220 2.768,1221 0.16,1222 0.153,1223 0.248,1224 0.144,1225 0.114,1226 4.958,1227 0.155,1228 4.74,1229 0.034,1230 7.691,1231 0.442,1232 4.461,1233 0.105,1234 3.535,1235 4.801,1236 1.058,1237 13.702,1238 3.255,1239 2.03,1240 2.03,1241 2.07,1242 2.086,1243 1.27,1244 2.111,1245 1.888,1246 1.86,1247 1.991,1248 1.991,1249 1.087,1250 1.996,1251 1.818,1252 1.811,1253 1.878,1254 1.922,1255 1.036,1256 1.936,1257 1.571,1258 1.549,1259 1.75,1260 1.767,1261 0.856,1262 1.787,1263 1.203,1264 1.173,1265 1.417,1266 1.446,1267 0.469,1268 1.415,1269 1.121,1270 1.085,1271 1.333,1272 1.323,1273 0.415,1274 1.378,1275 1.046,1276 0.984,1277 1.253,1278 1.267,1279 0.353,1280 1.308,1281 0.934,1282 0.84,1283 1.148,1284 1.239,1285 0.305,1286 1.27,1287 4.143,1289 5.509,1291 7.077,1292 2.708,1293 8.732,1294 5.38,1295 10.43,1297 3.012,1305 6.166,1309 1.192,1314 31.61,1315 78.607,1316 151.939,1317 184.747,1318 222.801,1319 235.556,1320 239.556,1321 57.519,1322 7.95,1323 86.03,1324 94.41,1325 25,1326 12.778,1327 4.459,1328 3.7,1329 42.22,1330 99,1331 86,1332 0.215,1333 196.865,1334 341.2,1335 472.11,1336 31753,1338 19.889,1339 0.71,1340 0.58,1341 20.139,1342 16.248,1343 13.375,1344 0.431,1345 0.327,1346 8.726,1347 12.141,1348 8.334,1349 6.954,1350 14.164,1351 10.151,1352 12.781,1353 0.278,1354 0.191,1355 14.166,1356 8.789,1357 11.028,1358 0.175,1359 0.104,1360 12.429,1361 6.539,1362 8.755,1363 0.108,1364 0.053,1365 9.591,1366 4.284,1367 7.426,1368 0.069,1369 0.028,1370 8.157,1371 3.047,1372 0.327,1373 91.253,1374 0.222,1375 26.027,1376 0.62,1377 154,1378 456.378,1379 206.266,1380 467.284,1381 638.63,1382 430,1383 186,1384 446.473,1385 244.689,1386 494.992,1387 725.1,1388 463,1389 5.1}
{0 CHEMBL2006715,1 1.772,2 15.364,3 6.348,4 40.302,5 162.495,6 9.07,7 0.66,8 4.347,9 4.448,10 4.108,11 3.957,12 5.569,13 3.954,14 4.851,15 4.983,16 4.515,17 4.347,18 6.099,19 4.336,20 5.095,21 5.277,22 4.533,23 4.425,24 6.325,25 4.406,26 5.088,27 5.262,28 4.576,29 4.39,30 6.607,31 4.383,32 5.094,33 5.267,34 4.553,35 4.465,36 6.329,37 4.432,38 5.125,39 5.308,40 4.566,41 4.505,42 6.325,43 4.445,44 5.127,45 5.322,46 4.497,47 4.44,48 6.314,49 4.381,50 5.056,51 5.263,52 4.416,53 4.356,54 6.251,55 4.308,56 0.151,57 1.176,58 8.916,59 5.554,60 14.09,61 5.778,62 0.433,63 1.943,64 18.872,65 9.374,66 29.145,67 10.238,68 0.685,69 2.36,70 29.837,71 12.515,72 77.249,73 13.478,74 1.203,75 2.488,76 28.931,77 11.992,78 171.991,79 12.874,80 0.797,81 2.309,82 28.804,83 12.073,84 90.246,85 12.408,86 0.689,87 2.371,88 32.924,89 13.891,90 60.239,91 15.412,92 0.766,93 2.422,94 34.83,95 13.661,96 86.324,97 15.246,98 0.741,99 2.207,100 33.69,101 12.674,102 72.466,103 14.507,104 17,105 72,106 0.272,107 0.609,108 0.774,109 0.873,110 0.894,111 0.899,112 3.81,113 0.879,114 -5.1,115 -5,116 -4.68,119 47.8,121 2,125 1,142 12,143 2,144 5,145 1,146 2,150 1,151 2,152 1,158 2,162 1,172 9,174 3,175 11,178 3,180 5,183 10,187 1,188 6,193 3,196 4,199 1,200 16,203 1,205 5,208 8,212 1,213 11,216 2,218 1,221 9,224 3,225 7,228 3,230 3,233 11,237 1,238 7,241 1,243 5,246 9,249 3,250 10,255 1,258 7,263 2,264 8,267 1,268 1,269 1,272 10,276 4602,277 30.17,278 30.17,279 30.17,280 30.17,281 30.17,282 26.044,283 30.521,284 17.602,285 30.936,286 24.726,287 24.726,288 24.726,289 24.726,290 24.726,291 18.426,292 47.849,293 8.347,294 26.043,295 4.294,296 2.099,297 1.023,298 0.381,299 0.239,300 0.209,301 4.53,306 1,307 1509,308 3.536,311 322.343,312 533.409,314 168.751,319 2.698,320 58.494,323 0.75,324 0.5,325 0.83,326 0.3,328 0.83,329 1,330 0.6,331 96.5,332 676,333 4.738,334 3.766,335 7.021,336 4.268,337 3.327,338 4.68,339 1.94,340 12.063,341 3.145,342 4.448,343 3.677,344 6.679,345 4.068,346 3.093,347 4.103,348 1.058,349 10.601,350 3.005,351 4.269,352 3.328,353 6.465,354 3.983,355 3.025,356 3.798,357 0.555,358 10.009,359 2.893,360 4.104,361 3.029,362 6.025,363 3.683,364 2.721,365 3.742,366 0.4,367 8.617,368 2.622,369 4.065,370 2.907,371 5.816,372 3.605,373 2.677,374 3.649,376 8.159,377 2.501,378 3.815,379 2.707,380 5.558,381 3.403,382 2.451,383 3.142,385 7.454,386 2.314,387 3.66,388 2.666,389 5.385,390 3.255,391 2.302,392 3.04,394 6.948,395 2.175,396 3.463,397 2.592,398 5.175,399 3.052,400 2.101,401 2.76,403 6.254,404 1.986,405 3.303,406 2.405,407 4.849,408 2.867,409 1.879,410 2.556,412 5.249,413 1.85,414 3.232,415 2.257,416 4.841,417 2.787,418 1.87,419 2.481,421 5.104,422 1.728,423 3.187,424 2.031,425 4.778,426 2.767,427 1.797,428 2.405,430 5.005,431 1.678,432 2.902,433 1.63,434 4.522,435 2.39,436 1.426,437 2.091,439 4.205,440 1.371,441 2.884,442 1.468,443 4.37,444 2.331,445 1.419,446 2.053,448 3.873,449 1.288,450 2.689,451 1.431,452 3.797,453 2.211,454 1.227,455 1.768,457 2.845,458 1.2,459 2.67,460 1.356,461 3.719,462 2.17,463 1.194,464 1.739,466 2.73,467 1.157,468 20.871,469 0.474,470 1.075,471 0.024,472 64.5,473 1.466,474 34.5,475 0.784,476 30,477 0.682,478 36.743,479 0.835,480 44.529,481 0.665,482 57.211,483 1.3,484 12.622,485 0.287,486 8.819,487 0.2,488 0.059,490 0.374,494 2,496 0.639,497 1.064,498 0.634,499 0.883,500 0.518,501 0.799,502 0.602,503 1.058,504 0.785,505 1.041,506 0.55,507 0.947,508 1.068,509 1.061,510 0.89,511 0.92,512 0.985,513 0.917,514 0.918,515 0.946,516 0.788,517 0.844,518 0.873,519 0.891,520 1.087,521 0.866,522 0.988,523 0.842,524 1.025,525 0.923,526 0.695,527 0.882,528 1.048,529 1.032,530 0.609,531 1.015,532 0.926,533 1.067,534 1.079,535 1.091,536 0.849,537 1.075,538 0.814,539 0.953,540 0.998,541 0.944,542 0.686,543 0.922,544 8,545 0.457,546 4.667,547 4.007,548 2.265,549 1.289,550 0.938,551 0.613,552 0.563,553 0.342,554 36901,555 113709,556 2.176,557 34.3,559 14,560 2,561 1,562 2,563 2,564 2,567 1.824,568 2.063,569 3.869,570 0.149,577 118.735,578 1.772,579 3.967,580 5.043,581 5.685,582 5.827,583 5.857,584 3.35,585 5.005,586 5.429,587 4.108,588 3885.7,589 9.625,590 72120.8,595 406.428,596 1.322,597 5.403,598 0.16,599 0.007,600 0.065,601 0.055,602 0.031,603 0.018,604 0.013,605 0.009,606 0.009,607 0.005,608 0.372,609 0.17,610 0.75,611 0.439,612 255.632,613 -0.059,614 -0.125,615 0.044,616 -0.005,617 -0.041,618 0.018,619 0.086,620 -0.106,621 0.018,622 -0.127,623 0.03,624 -0.087,625 -0.131,626 -0.093,627 -0.008,628 -0.005,629 -0.082,630 0.023,631 0.204,632 0.086,633 0.069,634 0.046,635 0.272,636 0.019,637 -0.185,638 0.071,639 -0.101,640 0.076,641 -0.15,642 -0.012,643 0.004,644 -0.013,645 -0.044,646 -0.032,647 0.005,648 -0.038,649 -0.075,650 -0.112,651 -0.059,652 -0.09,653 -0.068,654 -0.078,655 -0.013,656 -0.034,657 0.013,658 0.033,659 0.011,660 0.081,661 2.611,662 6.202,663 0.841,664 60.645,665 1.021,666 1.123,667 3.872,668 14.994,669 0.721,670 3.932,671 4.29,672 4.615,673 4.942,674 5.118,675 5.263,676 5.442,677 5.606,678 5.746,679 5.894,680 9.191,681 0.706,682 607.69,683 3.932,684 5.501,685 6.378,686 7.28,687 8.169,688 9.076,689 9.972,690 10.882,691 11.781,692 12.693,693 10.4,700 2,701 2,703 3,708 1,709 15,710 3,713 1,714 11,716 33,723 1,728 1,734 2,735 67,737 35,738 3,739 50,741 73,742 32,743 27,744 7,745 11,746 1,748 7,749 8,757 2,760 2,762 29,763 3,767 2,772 2,776 2,781 2,783 23,784 10,785 2,786 12,787 1,789 1,792 7,797 0.857,798 2,810 1,815 3,816 4,818 1,830 1,843 6,845 1,849 2,851 44,858 3,860 2,864 1,868 1,873 2,874 3,877 2,881 21.333,882 12.286,883 9.444,884 3.991,886 6.704,887 1.695,888 1.061,889 7.527,890 16.345,891 4.241,892 4.89,893 5.522,894 6.172,895 6.686,896 7.069,897 7.565,898 8.002,899 8.445,900 8.871,901 1,902 73,903 16.403,905 7.388,906 7.947,907 30.513,909 25.69,911 2.447,912 107.667,916 247.193,917 230.373,918 90.789,920 50.29,921 29.92,922 31.278,923 199.096,924 297.483,925 120.709,927 28.31,928 130.411,929 121.827,930 66.742,931 58.118,932 243.158,934 247.193,935 289.885,936 80.21,937 31.278,939 253.571,940 73.832,943 64.067,944 175.461,945 50.357,946 31.278,947 277.113,948 141.079,949 230.373,952 247.193,953 90.915,954 143.87,955 36.022,956 130.567,957 247.193,958 170.999,959 230.373,961 0.588,962 0.354,963 0.204,964 0.101,965 37,966 16,967 0.096,968 7,969 1,970 1.054,971 5.26,972 482.781,973 0.054,974 37,975 234.215,977 1,981 28.116,982 11.779,983 5.569,984 0.731,985 169.712,986 24.962,987 14.027,990 1.455,991 2.279,993 36.022,994 648.566,995 68.5,1000 24.981,1004 -0.787,1007 68.421,1008 75.243,1009 0.292,1010 0.654,1011 0.831,1012 0.937,1013 0.961,1014 0.966,1015 5.49,1016 2.101,1017 6.372,1018 6.948,1019 4.977,1020 5.58,1021 2.327,1022 7.22,1023 4.879,1024 6.715,1025 1.879,1026 7.949,1027 6.254,1028 4.575,1029 5.394,1030 1.668,1031 8.177,1032 4.422,1033 8.034,1034 1.87,1035 9.627,1036 5.249,1037 6.603,1038 7.82,1039 3.091,1040 11.325,1041 6.414,1042 9.391,1043 1.797,1044 11.367,1045 5.104,1046 7.048,1047 8.483,1048 3.13,1049 13.153,1050 6.801,1051 10.781,1052 1.426,1053 13.146,1054 5.005,1055 8.529,1056 10.366,1057 4.176,1058 15.815,1059 8.251,1060 12.195,1061 1.419,1062 14.955,1063 4.205,1064 9.362,1065 11.444,1066 4.539,1067 18.004,1068 9.026,1069 13.628,1070 1.227,1071 16.785,1072 3.873,1073 10.633,1074 13.104,1075 5.396,1076 20.513,1077 10.263,1078 3.327,1079 1.194,1080 18.632,1081 2.845,1082 11.644,1083 14.395,1084 5.912,1085 22.856,1086 11.218,1087 3.093,1088 12.063,1089 20.493,1090 2.73,1091 12.838,1092 15.96,1093 6.674,1094 25.321,1095 12.372,1096 3.025,1097 10.601,1098 22.364,1099 4.68,1100 13.931,1101 17.362,1102 7.263,1103 27.73,1104 13.411,1105 2.721,1106 10.009,1107 24.244,1108 4.103,1109 15.099,1110 18.892,1111 7.977,1112 30.188,1113 14.535,1114 2.677,1115 8.617,1116 26.132,1117 3.798,1118 16.231,1119 20.352,1120 8.602,1121 32.628,1122 15.614,1123 2.451,1124 8.159,1125 28.025,1126 3.742,1127 17.394,1128 21.873,1129 9.292,1130 35.089,1131 16.73,1132 2.302,1133 7.454,1134 29.924,1135 3.649,1136 18.546,1137 23.365,1138 9.936,1139 37.546,1140 17.828,1141 33575,1142 59235,1143 34.213,1144 48.324,1145 76.48,1146 78.361,1147 78.093,1148 75.599,1149 75.576,1150 102.218,1151 7.908,1152 223.158,1153 71.852,1154 5.635,1155 5.766,1156 6.574,1157 5.412,1158 5.327,1159 7.68,1160 3.348,1161 19.438,1162 5.145,1163 18.976,1164 1.53,1165 1.567,1166 1.562,1167 1.512,1168 1.512,1169 2.044,1170 0.158,1171 4.463,1172 1.437,1173 4.161,1174 4.196,1175 4.359,1176 4.068,1177 8.211,1178 4.057,1179 3.978,1180 4.017,1181 3.958,1182 3.875,1183 8.191,1184 3.878,1185 3.949,1186 3.974,1187 3.913,1188 3.852,1189 7.43,1190 3.86,1191 3.838,1192 3.869,1193 3.832,1194 3.779,1195 7.426,1196 3.766,1197 3.78,1198 3.832,1199 3.763,1200 3.625,1201 5.101,1202 3.632,1203 3.689,1204 3.732,1205 3.614,1206 3.571,1207 4.924,1208 3.568,1209 3.326,1210 3.36,1211 3.341,1212 3.154,1213 4.725,1214 3.161,1215 3.161,1216 3.202,1217 3.209,1218 3.047,1219 4.696,1220 3.049,1221 0.095,1222 0.075,1223 0.14,1224 0.085,1225 0.067,1226 4.738,1227 0.094,1228 3.766,1229 0.039,1230 7.021,1231 0.241,1232 4.268,1233 0.063,1234 3.327,1235 4.68,1236 1.94,1237 12.063,1238 3.145,1239 1.942,1240 1.918,1241 2.024,1242 2.055,1243 1.183,1244 2.043,1245 1.905,1246 1.875,1247 2.003,1248 2.024,1249 1.137,1250 2.016,1251 1.868,1252 1.848,1253 1.948,1254 1.967,1255 1.09,1256 1.961,1257 1.765,1258 1.725,1259 1.849,1260 1.912,1261 1.038,1262 1.901,1263 1.563,1264 1.503,1265 1.83,1266 1.744,1267 0.919,1268 1.775,1269 1.475,1270 1.42,1271 1.59,1272 1.706,1273 0.708,1274 1.671,1275 1.367,1276 1.363,1277 1.515,1278 1.589,1279 0.635,1280 1.566,1281 1.338,1282 1.288,1283 1.359,1284 1.504,1285 0.532,1286 1.488,1287 4.615,1289 5.964,1290 3.434,1291 7.498,1292 5.778,1293 9.121,1294 7.854,1295 10.792,1299 28.404,1303 2.082,1305 5.835,1309 1.776,1314 47.274,1315 118.735,1316 265.786,1317 337.899,1318 380.918,1319 390.428,1320 392.428,1321 90.794,1322 9.64,1323 104.52,1324 132.76,1325 39,1326 13.209,1327 5.17,1328 4.285,1329 60.164,1330 236,1331 231,1332 0.118,1333 285.286,1334 490.59,1335 687.857,1336 295011,1337 3,1338 30.208,1339 0.687,1340 0.541,1341 28.821,1342 23.815,1343 21.441,1344 0.429,1345 0.293,1346 13.637,1347 20.123,1348 13.371,1349 10.982,1350 21.073,1351 14.646,1352 19.693,1353 0.274,1354 0.152,1355 19.212,1356 10.959,1357 17.097,1358 0.171,1359 0.08,1360 16.885,1361 7.988,1362 15.52,1363 0.112,1364 0.043,1365 15.137,1366 5.951,1367 11.48,1368 0.069,1369 0.022,1370 11.892,1371 3.727,1372 0.188,1373 139.234,1374 0.171,1375 38.795,1376 0.318,1377 244,1378 839.445,1379 295.138,1380 785.56,1381 1070.24,1382 734,1383 294,1384 780.339,1385 340.497,1386 789.439,1387 1168.94,1388 746,1389 6.9}
{0 CHEMBL2006778,1 1.734,2 10.519,3 3.173,4 10.065,5 109.275,6 8.647,7 0.667,8 3.905,9 4.018,10 3.635,11 3.536,12 5.118,13 3.504,14 4.382,15 4.528,16 4.029,17 3.938,18 5.594,19 3.889,20 4.566,21 4.72,22 4.106,23 4.047,24 5.808,25 3.983,26 4.669,27 4.847,28 4.126,29 4.072,30 5.878,31 3.985,32 4.588,33 4.774,34 3.949,35 3.981,36 5.753,37 3.872,38 4.554,39 4.747,40 4.041,41 3.868,42 5.833,43 3.808,44 4.455,45 4.649,46 3.893,47 3.788,48 5.733,49 3.71,50 4.41,51 4.623,52 3.609,53 3.661,54 5.651,55 3.557,56 0.077,57 0.732,58 7.32,59 3.818,60 10.427,61 4.269,62 0.199,63 1.159,64 14.906,65 6.842,66 22.045,67 7.884,68 0.299,69 1.409,70 17.444,71 8.025,72 37.445,73 8.964,74 0.326,75 1.537,76 24.518,77 9.742,78 49.364,79 10.818,80 0.243,81 1.414,82 24.761,83 9.909,84 35.452,85 10.93,86 0.446,87 1.436,88 22.708,89 8.286,90 59.508,91 8.854,92 0.304,93 1.246,94 19.843,95 7.542,96 43.841,97 8.958,98 0.373,99 1.153,100 21.204,101 7.603,102 51.925,103 8.543,104 30,105 44,106 0.295,107 0.709,108 0.857,109 0.884,110 0.884,111 0.884,112 3.341,113 0.92,114 -3.93,115 -3.88,116 -3.68,119 45.5,120 1,124 1,135 2,142 3,143 5,144 1,145 1,147 1,151 1,152 3,158 1,163 1,164 1,165 1,172 8,175 3,177 1,178 2,180 5,183 12,185 1,188 3,193 4,196 10,198 1,200 4,205 5,208 10,210 3,213 2,218 4,221 8,223 3,224 1,225 3,228 1,230 5,233 6,235 2,238 2,243 3,246 5,248 1,250 1,252 1,253 2,254 2,255 2,257 2,258 3,264 3,269 4,272 2,274 1,276 1087,277 18.11,278 18.11,279 18.11,280 18.11,281 18.11,282 15.511,283 11.573,284 10.335,285 18.518,286 14.725,287 14.725,288 14.725,289 14.725,290 14.725,291 10.594,292 7.825,293 4.835,294 15.341,295 3.726,296 1.288,297 0.415,298 0.262,299 0.262,300 0.262,301 4.033,304 1,305 1,306 1,307 614,308 3.317,311 108.546,312 128.63,315 197.854,319 1.797,320 30.027,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 58.5,332 284,333 4.741,334 3.449,335 6.978,336 4.272,337 3.303,338 4.724,339 1.058,340 11.846,341 3.202,342 4.554,343 3.346,344 6.534,345 4.053,346 3.087,347 4.516,349 10.306,350 2.977,351 3.973,352 3.212,353 6.045,354 3.575,355 2.588,356 3.487,358 8.632,359 2.551,360 3.734,361 2.608,362 5.512,363 3.344,364 2.343,365 3.102,367 6.894,368 2.335,369 3.573,370 2.536,371 5.17,372 3.163,373 2.193,374 2.902,376 6.152,377 2.119,378 3.498,379 2.269,380 4.987,381 3.057,382 2.116,383 2.857,385 5.851,386 1.986,387 3.267,388 1.983,389 4.774,390 2.76,391 1.818,392 2.597,394 5.141,395 1.707,396 3.107,397 1.768,398 4.682,399 2.641,400 1.688,401 2.342,403 4.808,404 1.585,405 2.614,406 1.177,407 4.27,408 2.079,409 1.121,410 1.639,412 3.376,413 1.063,414 2.51,415 1.105,416 3.687,417 1.859,418 0.961,419 1.409,421 2.36,422 0.849,423 2.247,424 1.002,425 3.621,426 1.658,427 0.749,428 1.057,430 1.955,431 0.669,432 2.075,433 0.942,434 3.163,435 1.523,436 0.62,437 0.869,439 1.479,440 0.55,441 1.481,442 0.745,443 2.751,444 1.212,445 0.252,446 0.289,448 0.382,449 0.239,450 1.311,451 0.144,452 2.686,453 0.828,454 -0.152,455 -0.214,457 -0.314,458 -0.147,459 1.122,460 0.06,461 2.604,462 0.687,463 -0.263,464 -0.35,466 -0.703,467 -0.243,468 13.052,469 0.483,470 0.784,471 0.029,472 36.75,473 1.361,474 19.5,475 0.722,476 17.25,477 0.639,478 21.39,479 0.792,480 27.748,481 0.631,482 27.944,483 1.035,484 7.341,485 0.272,486 5.632,487 0.209,488 0.155,490 0.421,494 1,496 0.714,497 0.918,498 0.705,499 0.768,500 0.631,501 0.755,502 0.619,503 0.861,504 0.757,505 0.813,506 0.524,507 0.747,508 0.974,509 0.954,510 0.887,511 0.887,512 0.959,513 0.941,514 1.069,515 1.124,516 1.081,517 1.093,518 1.112,519 1.007,520 0.931,521 1.191,522 1.315,523 1.314,524 0.876,525 1.148,526 1.295,527 1.184,528 0.935,529 1.013,530 1.429,531 0.934,532 0.705,533 1.086,534 0.968,535 1.149,536 0.695,537 1.035,538 1.029,539 1.028,540 1.32,541 1.201,542 0.996,543 1.147,544 6,545 0.127,546 3.556,547 2.097,548 1.984,549 0.91,550 0.739,551 0.54,552 0.392,553 0.12,554 8326,555 25548,556 2.075,557 38.6,559 8,560 1,561 1,562 4,563 3,567 1.703,568 1.906,569 3.349,570 1.698,571 1,572 1,577 76.29,578 1.734,579 4.171,580 5.044,581 5.198,582 5.198,583 5.198,584 2.89,585 4.459,586 4.721,587 3.493,588 1226.03,589 8.214,590 15220.1,592 1,594 1,595 240.215,596 1.506,597 4.668,598 0.2,599 0.01,600 0.081,601 0.047,602 0.046,603 0.025,604 0.02,605 0.016,606 0.015,607 0.007,608 0.466,609 0.33,610 1,611 1.331,612 132.271,613 -0.1,614 0.058,615 0.028,616 0.122,617 -0.104,618 0.095,619 0.058,620 0.095,621 0.108,622 0.148,623 0.072,624 0.171,625 -0.069,626 0.062,627 -0.032,628 0.054,629 -0.067,630 -0.032,631 -0.103,632 -0.115,633 -0.02,634 -0.032,635 -0.102,636 -0.031,637 -0.067,638 -0.166,639 -0.164,640 -0.185,641 -0.017,642 -0.135,643 -0.029,644 -0.029,645 0.107,646 -0.002,647 -0.133,648 0.011,649 0.169,650 -0.125,651 0.067,652 -0.137,653 0.148,654 -0.062,655 0.003,656 -0.004,657 -0.227,658 -0.169,659 0.014,660 -0.167,661 1.975,662 6.55,663 0.667,664 25.029,665 1.012,666 1.122,667 2.696,668 7.266,669 0.713,670 3.434,671 3.807,672 4.127,673 4.454,674 4.691,675 4.844,676 5.017,677 5.231,678 5.293,679 5.361,680 6.086,681 0.683,682 380.48,683 3.434,684 5.004,685 5.883,686 6.795,687 7.697,688 8.615,689 9.527,690 10.448,691 11.366,692 12.289,693 9.1,697 1,700 1,701 1,703 1,708 4,709 5,710 1,711 1,713 1,714 6,716 20,727 1,734 1,735 44,737 22,738 1,739 30,741 47,742 20,743 15,744 4,745 2,746 3,748 4,749 6,754 1,762 18,763 2,767 2,772 1,774 2,776 1,780 1,781 1,783 17,784 5,785 4,786 7,787 1,792 4,797 0.5,798 1,809 1,811 1,815 2,816 2,819 2,829 1,834 2,843 2,845 1,847 2,849 1,851 27,852 1,860 1,869 1,873 1,874 2.3,877 1,881 14.167,882 8.593,883 5.861,884 2.444,886 4.588,887 1.585,888 1.052,889 4.541,890 12.433,891 3.761,892 4.472,893 5.18,894 5.878,895 6.454,896 6.941,897 7.464,898 8.022,899 8.386,900 8.822,901 1,902 45,903 9.979,905 4.361,906 7.914,907 18.697,909 15.546,911 2.414,912 65.167,915 1,916 153.024,917 149.08,918 84.479,920 25.145,921 14.96,922 31.278,923 117.802,924 178.169,925 99.439,926 17.222,927 18.011,928 87.927,929 58.406,930 49.657,931 34.706,932 160.76,934 153.024,935 202.281,936 40.105,937 31.278,939 167.984,940 25.145,943 52.669,944 113.874,945 35.738,946 31.278,947 167.984,948 109.624,949 149.08,952 153.024,953 67.781,954 81.299,955 34.796,956 89.788,957 153.024,958 124.584,959 149.08,961 0.592,962 0.354,963 0.191,964 0.106,965 23,966 11,967 0.064,968 3,969 2,970 1.222,971 3.772,972 243.048,973 0.222,974 18,975 128.382,977 1,981 17.835,982 6.874,983 3.155,984 2.98,985 107.799,986 8.939,987 4.26,988 3.033,990 1.492,991 3.333,993 67.693,994 426.688,995 42,1000 11.495,1002 3.146,1004 -0.202,1007 44.509,1008 49.369,1009 0.318,1010 0.764,1011 0.924,1012 0.952,1013 0.952,1014 0.952,1015 5.011,1016 1.688,1017 5.9,1018 5.141,1019 4.489,1020 5.159,1021 1.176,1022 6.772,1023 4.412,1024 6.274,1025 1.121,1026 7.498,1027 4.808,1028 4.205,1029 5.165,1031 7.784,1032 4.12,1033 7.621,1034 0.961,1035 9.194,1036 3.376,1037 6.142,1038 7.529,1039 1.255,1040 10.925,1041 6.012,1042 9.008,1043 0.749,1044 10.947,1045 2.36,1046 6.661,1047 8.376,1049 12.777,1050 6.509,1051 10.426,1052 0.62,1053 12.738,1054 1.955,1055 8.098,1056 10.222,1057 1.338,1058 15.453,1059 7.913,1060 11.869,1061 0.252,1062 14.555,1063 1.479,1064 8.978,1065 11.455,1067 17.656,1068 8.762,1069 13.33,1070 -0.152,1071 16.393,1072 0.382,1073 10.236,1074 13.107,1075 1.422,1076 20.178,1077 9.989,1078 3.303,1079 -0.263,1080 18.247,1081 -0.314,1082 11.28,1083 14.514,1085 22.526,1086 10.999,1087 3.087,1088 11.846,1089 20.114,1090 -0.703,1091 12.475,1092 16.091,1093 1.51,1094 24.997,1095 12.163,1096 2.588,1097 10.306,1098 21.992,1099 4.724,1100 13.592,1101 17.574,1103 27.406,1104 13.245,1105 2.343,1106 8.632,1107 23.878,1108 4.516,1109 14.769,1110 19.124,1111 1.599,1112 29.863,1113 14.39,1114 2.193,1115 6.894,1116 25.771,1117 3.487,1118 15.918,1119 20.638,1121 32.299,1122 15.505,1123 2.116,1124 6.152,1125 27.67,1126 3.102,1127 17.091,1128 22.18,1129 1.69,1130 34.754,1131 16.646,1132 1.818,1133 5.851,1134 29.575,1135 2.902,1136 18.256,1137 23.708,1139 37.203,1140 17.777,1141 8058,1142 14221,1143 19.709,1144 31.392,1145 46.346,1146 47.266,1147 48.449,1148 45.605,1149 45.681,1150 63.583,1151 2.117,1152 138.361,1153 43.663,1154 5.414,1155 5.449,1156 6.538,1157 5.381,1158 5.303,1159 7.724,1160 2.117,1161 19.263,1162 5.202,1163 15.098,1164 1.545,1165 1.576,1166 1.615,1167 1.52,1168 1.523,1169 2.119,1170 0.071,1171 4.612,1172 1.455,1173 4.177,1174 4.199,1175 4.345,1176 4.152,1177 8.201,1178 4.127,1179 4.025,1180 4.046,1181 4.071,1182 3.974,1183 7.43,1184 3.962,1185 3.665,1186 3.706,1187 3.629,1188 3.529,1189 5.186,1190 3.533,1191 3.49,1192 3.544,1193 3.434,1194 3.343,1195 4.905,1196 3.35,1197 3.284,1198 3.351,1199 3.398,1200 3.158,1201 4.667,1202 3.134,1203 3.217,1204 3.291,1205 3.12,1206 3.016,1207 4.38,1208 3.005,1209 2.981,1210 3.055,1211 2.942,1212 2.825,1213 4.233,1214 2.822,1215 2.96,1216 3.029,1217 2.795,1218 2.793,1219 4.072,1220 2.764,1221 0.158,1222 0.115,1223 0.233,1224 0.142,1225 0.11,1226 4.741,1227 0.157,1228 3.449,1229 0.035,1230 6.978,1231 0.395,1232 4.272,1233 0.107,1234 3.303,1235 4.724,1236 1.058,1237 11.846,1238 3.202,1239 1.981,1240 1.966,1241 2.03,1242 2.055,1243 1.214,1244 2.048,1245 1.864,1246 1.848,1247 1.91,1248 1.958,1249 1.071,1250 1.952,1251 1.605,1252 1.547,1253 1.804,1254 1.8,1255 0.884,1256 1.803,1257 1.55,1258 1.513,1259 1.723,1260 1.777,1261 0.74,1262 1.764,1263 1.387,1264 1.372,1265 1.546,1266 1.511,1267 0.667,1268 1.539,1269 1.19,1270 1.108,1271 1.346,1272 1.363,1273 0.498,1274 1.399,1275 0.962,1276 0.913,1277 1.256,1278 1.22,1279 0.316,1280 1.226,1281 0.915,1282 0.843,1283 1.173,1284 1.172,1285 0.171,1286 1.206,1287 4.111,1289 5.468,1290 3.045,1291 7.013,1292 5.416,1293 8.653,1294 7.545,1295 10.348,1297 3.465,1299 14.55,1301 6.137,1305 2.539,1314 30.058,1315 76.29,1316 183.544,1317 221.95,1318 228.705,1319 228.705,1320 228.705,1321 48.756,1322 7.845,1323 83.8,1324 112.04,1325 22,1326 12.797,1327 4.524,1328 3.7,1329 40.125,1330 97,1331 114,1332 0.206,1333 187.272,1334 312.49,1335 448.704,1336 26697,1337 2.3,1338 19.129,1339 0.708,1340 0.577,1341 18.612,1342 15.577,1343 12.974,1344 0.432,1345 0.307,1346 8.294,1347 12.087,1348 7.955,1349 6.62,1350 13.017,1351 9.203,1352 12.097,1353 0.275,1354 0.163,1355 12.082,1356 7.154,1357 10.406,1358 0.171,1359 0.09,1360 10.72,1361 5.468,1362 8.876,1363 0.104,1364 0.05,1365 9.399,1366 4.241,1367 7.243,1368 0.067,1369 0.026,1370 7.708,1371 2.848,1372 0.317,1373 85.535,1374 0.225,1375 25.564,1376 0.583,1377 148,1378 470.33,1379 182.572,1380 459.563,1381 625.36,1382 428,1383 179,1384 446.342,1385 212.125,1386 466.6,1387 685.96,1388 438,1389 7.2}
{0 CHEMBL2006785,1 1.811,2 8.783,3 5.462,4 29.831,5 94.863,6 10.947,7 0.64,8 3.613,9 3.68,10 3.553,11 3.393,12 4.886,13 3.336,14 4.07,15 4.161,16 3.998,17 3.8,18 5.309,19 3.716,20 4.293,21 4.397,22 4.23,23 3.9,24 5.623,25 3.809,26 4.337,27 4.486,28 4.103,29 3.806,30 5.665,31 3.7,32 4.169,33 4.322,34 4.003,35 3.614,36 5.592,37 3.546,38 3.962,39 4.062,40 3.878,41 3.521,42 5.676,43 3.475,44 3.956,45 4.068,46 3.752,47 3.498,48 5.494,49 3.406,50 3.829,51 3.978,52 3.448,53 3.375,54 5.097,55 3.23,56 0.06,57 0.377,58 1.78,59 2.114,60 7.515,61 2.375,62 0.14,63 0.607,64 5.05,65 4.016,66 17.458,67 4.701,68 0.253,69 0.787,70 14.045,71 5.648,72 29.187,73 5.895,74 0.341,75 0.865,76 20.166,77 7.022,78 42.414,79 7.008,80 0.338,81 0.72,82 18.558,83 5.903,84 51.107,85 5.64,86 0.286,87 0.548,88 7.766,89 3.688,90 60.965,91 3.722,92 0.321,93 0.571,94 9.206,95 4.344,96 52.585,97 3.56,98 0.169,99 0.492,100 11.291,101 4.226,102 27.162,103 4.442,104 27,105 36,106 0.328,107 0.695,108 0.769,109 0.843,110 0.843,111 0.843,112 3.189,113 0.992,114 -5.37,115 -5.25,116 -4.91,119 51.5,120 1,142 6,143 3,144 3,152 2,158 2,172 8,175 1,178 1,180 2,183 13,188 3,193 3,196 11,200 4,203 1,205 4,208 4,213 3,218 3,221 4,224 1,225 6,230 1,233 6,238 5,246 9,250 2,258 10,264 1,272 7,276 728,277 15.301,278 15.301,279 15.301,280 15.301,281 15.301,282 13.086,283 13.727,284 8.723,285 15.711,286 12.211,287 12.211,288 12.211,289 12.211,290 12.211,291 8.782,292 14.03,293 4.025,294 13.065,295 3.234,296 1.205,297 0.796,298 0.387,299 0.387,300 0.387,301 3.863,302 2,305 1,306 1,307 429,308 3,311 48.361,312 131.429,315 91.6,319 1.221,320 26.34,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 48.667,332 202,333 4.739,334 4.079,335 6.973,336 4.237,337 3.302,338 4.709,339 2.035,340 11.813,341 3.074,342 4.182,343 3.597,344 6.074,345 3.81,346 2.812,347 3.759,348 1.058,349 8.699,350 2.801,351 3.992,352 3.454,353 5.914,354 3.461,355 2.572,356 3.477,358 8.07,359 2.307,360 3.657,361 2.904,362 5.366,363 3.265,364 2.274,365 3.021,367 6.401,368 2.189,369 3.531,370 2.588,371 5.025,372 2.908,373 1.998,374 2.822,376 5.995,377 1.723,378 3.324,379 2.198,380 4.904,381 2.69,382 1.78,383 2.502,385 5.244,386 1.585,387 2.915,388 2.096,389 4.254,390 2.385,391 1.414,392 1.904,394 3.79,395 1.356,396 2.773,397 1.883,398 3.88,399 2,400 1,401 1.5,403 2.594,404 1,405 2.5,406 1.605,407 3.414,408 1.929,409 0.993,410 1.406,412 2.275,413 0.884,414 2.344,415 1,416 3.022,417 1.312,418 0.462,419 0.845,421 0.818,422 0.377,423 1.483,424 0.857,425 2.82,426 0.868,427 0.15,428 0.191,430 0.301,431 0.088,432 1.172,433 0.515,434 2.582,435 0.823,436 -0.131,437 -0.165,439 -0.3,440 -0.119,441 1.111,442 0.15,443 2.424,444 0.656,445 -0.337,446 -0.461,448 -0.751,449 -0.317,450 0.627,451 -0.16,452 2.122,453 0.083,454 -0.813,455 -1.107,457 -2.164,458 -0.596,459 0.5,460 -0.282,461 2,463 -1,464 -1.493,466 -2.669,467 -0.93,468 11.895,469 0.517,470 0.665,471 0.029,472 33,473 1.435,474 19,475 0.826,476 14,477 0.609,478 17.886,479 0.778,480 22.305,481 0.676,482 22.193,483 0.965,484 6.253,485 0.272,486 4.754,487 0.207,488 0.224,490 0.378,496 0.583,497 0.844,498 0.54,499 0.637,500 0.497,501 0.65,502 0.527,503 0.87,504 0.625,505 0.715,506 0.489,507 0.721,508 0.862,509 1.256,510 0.832,511 1.053,512 0.793,513 0.987,514 1.119,515 1.113,516 0.942,517 1.032,518 1.113,519 1.002,520 1.329,521 0.905,522 0.772,523 0.772,524 1.492,525 0.713,526 0.957,527 0.949,528 0.798,529 0.836,530 1.121,531 0.784,532 1.293,533 0.877,534 1.037,535 0.989,536 1.478,537 0.961,538 0.987,539 1.021,540 1.268,541 1.16,542 1.011,543 1.194,544 5,545 0.054,546 3.333,547 2.042,548 1.632,549 1.094,550 0.534,551 0.293,552 0.215,553 0.168,554 5056,555 18788,556 2.016,557 30.3,558 3,559 6,562 1,567 1.662,568 1.84,569 3.098,570 -0.284,577 59.759,578 1.811,579 3.839,580 4.248,581 4.658,582 4.658,583 4.658,584 2.496,585 4.35,586 4.496,587 3.233,588 817.882,589 7.765,590 9077.18,595 166.465,596 1.538,597 4.428,598 0.2,599 0.009,600 0.093,601 0.054,602 0.049,603 0.036,604 0.018,605 0.012,606 0.012,607 0.014,608 0.498,609 0.5,610 1,611 0.872,612 105.85,613 -0.048,614 0.072,615 0.002,616 0.073,617 -0.018,618 0.054,619 0.101,620 0.046,621 0.081,622 0.127,623 0.045,624 0.1,625 0.046,626 -0.31,627 0.087,628 -0.127,629 -0.004,630 -0.106,631 -0.032,632 -0.087,633 0.049,634 -0.007,635 -0.074,636 -0.004,637 -0.058,638 0.135,639 0.205,640 0.229,641 -0.125,642 0.286,643 0.23,644 0.043,645 0.06,646 0.006,647 0.371,648 0.037,649 -0.076,650 0.146,651 -0.11,652 0.006,653 -0.046,654 -0.075,655 -0.165,656 -0.085,657 -0.207,658 -0.144,659 -0.139,660 -0.164,661 1.961,662 5.439,663 0.652,664 15.928,665 1.02,666 1.094,667 4.142,668 17.152,669 0.807,670 3.258,671 3.611,672 3.912,673 4.174,674 4.419,675 4.489,676 4.5,677 4.554,678 4.533,679 4.5,680 5.251,681 0.765,682 361.26,683 3.258,684 4.812,685 5.68,686 6.575,687 7.467,688 8.369,689 9.269,690 10.175,691 11.08,692 11.989,693 6.1,700 1,702 1,708 2,709 6,713 1,714 6,716 16,718 1,723 1,734 2,735 33,737 18,738 2,739 25,741 35,742 17,743 14,744 6,745 6,746 1,748 3,749 4,750 2,754 1,761 1,762 15,763 1,767 1,772 1,776 1,783 10,784 3,785 1,786 6,787 3,792 2,797 0.667,798 1,815 1,816 2,819 1,843 2,845 1,847 1,848 2,851 23,860 1,866 1,869 1,870 1,872 1,873 2,874 3,877 1,881 12.5,882 6.569,883 5.083,884 1.892,886 3.23,887 1.464,888 1.009,889 4.472,890 10.186,891 3.611,892 4.259,893 4.921,894 5.544,895 6.115,896 6.474,897 6.769,898 7.111,899 7.269,900 7.412,901 0.833,902 38,903 8.456,905 3.658,906 7.981,907 15.697,909 12.863,911 2.481,912 57.056,916 105.94,917 139.073,918 49.07,919 78.297,920 25.145,922 31.278,923 107.795,924 209.382,925 49.07,926 8.825,927 18.011,928 56.857,929 46.451,930 49.761,931 2.104,932 137.218,933 78.297,934 105.94,935 156.865,936 25.145,937 109.575,939 105.94,940 25.145,943 57.895,944 98.97,945 78.297,946 31.278,947 105.94,948 74.215,949 217.37,952 105.94,953 56.789,954 65.683,955 34.612,956 134.502,957 105.94,958 74.215,959 217.37,961 0.59,962 0.359,963 0.188,964 0.109,965 18,966 9,967 0.057,968 2,969 1,970 1.133,971 3.383,972 187.677,973 0.133,974 15,975 100.042,977 1,981 16.104,982 6.387,983 3.015,984 1.399,985 74.215,986 10.65,990 1.267,991 3.093,993 18.011,994 397.525,995 36,1000 12.439,1004 -0.294,1007 33.673,1008 36.09,1009 0.359,1010 0.761,1011 0.842,1012 0.923,1013 0.923,1014 0.923,1015 4.86,1016 1,1017 5.694,1018 3.79,1019 4.29,1020 4.945,1021 2.444,1022 6.55,1023 4.161,1024 6.118,1025 0.993,1026 7.29,1027 2.594,1028 4.007,1029 4.902,1031 7.554,1032 3.786,1033 7.456,1034 0.462,1035 8.984,1036 2.275,1037 5.932,1038 7.261,1039 3.632,1040 10.678,1041 5.704,1042 8.831,1043 0.15,1044 10.736,1045 0.818,1046 6.447,1047 8.049,1049 12.522,1050 6.123,1051 10.236,1052 -0.131,1053 12.524,1054 0.301,1055 7.879,1056 9.896,1057 4.982,1058 15.197,1059 7.546,1060 11.664,1061 -0.337,1062 14.338,1063 -0.3,1064 8.753,1065 11.078,1067 17.404,1068 8.328,1069 13.111,1070 -0.813,1071 16.172,1072 -0.751,1073 10.008,1074 12.73,1075 6.383,1076 19.934,1077 9.555,1078 3.302,1079 -1,1080 18.023,1081 -2.164,1082 11.047,1083 14.105,1085 22.295,1086 10.508,1087 2.812,1088 11.813,1089 19.887,1090 -2.669,1091 12.241,1092 15.683,1093 7.798,1094 24.778,1095 11.657,1096 2.572,1097 8.699,1098 21.763,1099 4.709,1100 13.355,1101 17.149,1103 27.202,1104 12.689,1105 2.274,1106 8.07,1107 23.648,1108 3.759,1109 14.533,1110 18.701,1111 9.218,1112 29.673,1113 13.808,1114 1.998,1115 6.401,1116 25.542,1117 3.477,1118 15.683,1119 20.21,1121 32.123,1122 14.879,1123 1.78,1124 5.995,1125 27.442,1126 3.021,1127 16.86,1128 21.755,1129 10.638,1130 34.59,1131 15.988,1132 1.414,1133 5.244,1134 29.348,1135 2.822,1136 18.028,1137 23.284,1139 37.051,1140 17.077,1141 5019,1142 9840,1143 16.126,1144 26.636,1145 39.198,1146 42.269,1147 40.051,1148 37.513,1149 37.513,1150 52.271,1151 6.186,1152 112.002,1153 34.767,1154 5.578,1155 6.079,1156 6.496,1157 5.363,1158 5.302,1159 7.709,1160 4.069,1161 19.159,1162 5.074,1163 13.151,1164 1.568,1165 1.691,1166 1.602,1167 1.501,1168 1.501,1169 2.091,1170 0.247,1171 4.48,1172 1.391,1173 4.099,1174 4.099,1175 4.387,1176 4.124,1177 7.429,1178 4.076,1179 3.925,1180 3.948,1181 3.909,1182 3.871,1183 6.82,1184 3.865,1185 3.506,1186 3.533,1187 3.873,1188 3.448,1189 5.062,1190 3.421,1191 3.336,1192 3.367,1193 3.417,1194 3.186,1195 4.716,1196 3.19,1197 3.027,1198 3.108,1199 3.328,1200 2.923,1201 4.53,1202 2.879,1203 2.934,1204 2.941,1205 3.158,1206 2.815,1207 4.432,1208 2.835,1209 2.874,1210 2.925,1211 2.851,1212 2.735,1213 4.006,1214 2.715,1215 2.854,1216 2.91,1217 2.799,1218 2.675,1219 3.83,1220 2.678,1221 0.19,1222 0.163,1223 0.279,1224 0.169,1225 0.132,1226 4.739,1227 0.188,1228 4.079,1229 0.081,1230 6.973,1231 0.473,1232 4.237,1233 0.123,1234 3.302,1235 4.709,1236 2.035,1237 11.813,1238 3.074,1239 1.937,1240 1.921,1241 2.044,1242 2.02,1243 1.154,1244 2.027,1245 1.898,1246 1.887,1247 1.914,1248 1.933,1249 1.129,1250 1.95,1251 1.547,1252 1.541,1253 1.588,1254 1.659,1255 0.697,1256 1.657,1257 1.283,1258 1.245,1259 1.467,1260 1.454,1261 0.601,1262 1.476,1263 1.01,1264 0.976,1265 1.181,1266 1.245,1267 0.218,1268 1.237,1269 0.886,1270 0.828,1271 1.112,1272 1.062,1273 0.214,1274 1.107,1275 0.845,1276 0.821,1277 0.958,1278 0.994,1279 0.065,1280 0.999,1281 0.818,1282 0.773,1283 0.817,1284 0.892,1286 0.94,1287 3.932,1289 5.273,1290 2.398,1291 6.812,1292 4.844,1293 8.441,1294 7.05,1295 10.119,1297 1.948,1298 12.326,1305 2.794,1312 9.333,1313 2.1,1314 25.234,1315 59.759,1316 126.691,1317 140.2,1318 153.71,1319 153.71,1320 153.71,1321 45.294,1322 6.956,1323 52.89,1324 81.13,1325 17,1326 12.506,1327 4.248,1328 3.585,1329 36.661,1330 70,1331 83,1332 0.256,1333 167.768,1334 286.2,1335 401.113,1336 8609,1337 6.1,1338 16.56,1339 0.72,1340 0.622,1341 17.914,1342 14.312,1343 11.007,1344 0.44,1345 0.331,1346 6.789,1347 9.834,1348 6.439,1349 5.331,1350 11.993,1351 8.268,1352 10.052,1353 0.279,1354 0.189,1355 11.398,1356 6.81,1357 8.781,1358 0.179,1359 0.107,1360 10.585,1361 5.263,1362 6.929,1363 0.108,1364 0.057,1365 8.383,1366 3.65,1367 5.754,1368 0.07,1369 0.033,1370 7.259,1371 2.668,1372 0.389,1373 77.816,1374 0.249,1375 22.143,1376 0.741,1377 122,1378 382.981,1379 183.624,1380 462.014,1381 604.02,1382 426,1383 146,1384 374.767,1385 204.112,1386 421.219,1387 618.78,1388 395,1389 5.1}
{0 CHEMBL2006836,1 1.649,2 12.294,3 4.247,4 18.035,5 123.06,6 8.852,7 0.553,8 4.073,9 4.161,10 3.777,11 3.661,12 5.388,13 3.678,14 4.542,15 4.662,16 4.197,17 4.056,18 5.873,19 4.068,20 4.768,21 4.901,22 4.332,23 4.198,24 6.118,25 4.214,26 4.91,27 5.062,28 4.323,29 4.233,30 6.307,31 4.235,32 4.897,33 5.066,34 4.224,35 4.18,36 6.257,37 4.175,38 4.823,39 4.976,40 4.221,41 4.156,42 6.28,43 4.129,44 4.851,45 5.04,46 4.07,47 4.089,48 6.157,49 4.05,50 4.793,51 5.009,52 4.061,53 3.981,54 6.224,55 3.942,56 0.16,57 0.746,58 6.838,59 4.1,60 21.08,61 4.134,62 0.372,63 1.199,64 12.785,65 6.67,66 47.225,67 7.611,68 0.393,69 1.486,70 16.832,71 8.047,72 47.686,73 8.554,74 0.633,75 1.673,76 21.62,77 9.269,78 74.41,79 9.4,80 0.724,81 1.575,82 24.708,83 9.658,84 126.412,85 9.783,86 0.717,87 1.493,88 20.097,89 9.346,90 101.85,91 10.772,92 0.67,93 1.536,94 23.731,95 9.354,96 97.623,97 10.441,98 0.72,99 1.43,100 25.383,101 9.836,102 125.033,103 12.858,104 54,105 57,106 0.268,107 0.672,108 0.77,109 0.859,110 0.865,111 0.865,112 3.561,113 0.813,114 -4.15,115 -4.1,116 -3.88,119 49,120 2,135 1,136 3,142 8,143 2,144 1,146 2,152 1,153 1,158 3,161 1,166 1,167 1,170 1,172 12,173 1,174 2,175 13,178 2,180 2,183 12,184 2,188 19,191 1,193 3,196 7,197 2,199 3,200 19,205 6,208 8,213 7,214 1,218 3,221 14,224 6,225 11,226 1,228 3,230 3,233 17,237 1,238 2,241 1,244 1,246 11,247 1,249 4,250 9,253 3,254 1,255 2,258 9,259 2,264 10,269 4,272 7,273 1,276 1960,277 22.784,278 22.784,279 22.784,280 22.784,281 22.784,282 19.53,283 21.746,284 12.813,285 23.06,286 18.602,287 18.602,288 18.602,289 18.602,290 18.602,291 13.482,292 23.266,293 5.902,294 19.087,295 4.023,296 1.53,297 0.932,298 0.383,299 0.343,300 0.343,301 4.261,305 1,306 1,307 918,308 3.464,311 145.287,312 268.135,315 237.383,319 1.841,320 50.598,323 1,324 0.67,325 1,326 0.4,328 1,329 1,330 0.72,331 74.5,332 418,333 4.818,334 4.099,335 7.153,336 4.386,337 3.421,338 4.686,339 2.035,340 12.48,341 3.306,342 4.584,343 3.749,344 6.778,345 4.161,346 3.208,347 4.339,348 1.437,349 11.046,350 3.056,351 4.298,352 3.577,353 6.414,354 3.822,355 2.838,356 3.905,357 0.98,358 9.749,359 2.788,360 4.143,361 3.351,362 6.05,363 3.75,364 2.753,365 3.718,367 8.541,368 2.731,369 3.899,370 2.983,371 5.951,372 3.461,373 2.474,374 3.219,376 8.19,377 2.437,378 3.736,379 2.828,380 5.839,381 3.344,382 2.354,383 3.074,385 7.804,386 2.32,387 3.498,388 2.649,389 5.585,390 3.047,391 2.078,392 2.847,394 6.865,395 2.008,396 3.236,397 2.187,398 4.892,399 2.671,400 1.732,401 2.325,403 4.921,404 1.618,405 3.1,406 2.117,407 4.654,408 2.527,409 1.558,410 2.278,412 4.48,413 1.506,414 3.017,415 1.917,416 4.449,417 2.444,418 1.459,419 2.004,421 4.105,422 1.427,423 2.898,424 1.688,425 3.979,426 2.329,427 1.333,428 1.942,430 2.965,431 1.325,432 2.815,433 1.536,434 3.77,435 2.107,436 1.111,437 1.599,439 2.804,440 1.092,441 2.622,442 1.352,443 3.683,444 2,445 1,446 1.506,448 2.275,449 1,450 2.5,451 1.147,452 3.569,453 1.922,454 0.951,455 1.5,457 2.27,458 0.917,459 2.327,460 1,461 3.414,462 1.652,463 0.675,464 0.991,466 1.651,467 0.657,468 15.833,469 0.466,470 1.032,471 0.03,472 49.75,473 1.463,474 27.5,475 0.809,476 22.25,477 0.654,478 26.986,479 0.794,480 33.967,481 0.666,482 43.464,483 1.278,484 9.979,485 0.294,486 6.332,487 0.186,488 0.173,490 0.461,496 0.776,497 1.079,498 0.658,499 0.881,500 0.692,501 0.776,502 0.468,503 1.122,504 0.565,505 0.892,506 0.446,507 0.784,508 0.892,509 1.207,510 0.804,511 1.015,512 0.721,513 0.903,514 1.168,515 1.047,516 1.098,517 1.038,518 1.032,519 1.036,520 1.404,521 0.908,522 1.12,523 0.852,524 1.405,525 0.896,526 0.655,527 1.054,528 0.98,529 1.137,530 0.806,531 1.154,532 1.076,533 1.047,534 1.191,535 1.046,536 1.062,537 1.117,538 0.507,539 0.907,540 0.738,541 0.981,542 0.581,543 0.936,544 6.5,545 0.213,546 5.111,547 3.931,548 2.801,549 1.844,550 0.984,551 0.864,552 0.578,553 0.281,554 15943,555 52012,556 2.074,557 33.3,558 3,559 9,562 2,563 3,567 1.762,568 1.889,569 3.516,570 0.206,572 1,577 84.101,578 1.649,579 4.142,580 4.741,581 5.29,582 5.329,583 5.329,584 3.048,585 4.793,586 5.057,587 3.72,588 2086.73,589 8.883,590 30451.4,592 1,595 289.294,596 1.521,597 4.994,598 0.171,599 0.008,600 0.09,601 0.061,602 0.046,603 0.033,604 0.018,605 0.019,606 0.013,607 0.008,608 0.466,609 0.5,610 0.88,611 0.86,612 179.713,613 -0.072,614 -0.032,615 0.011,616 0.041,617 -0.097,618 0.039,619 0.215,620 -0.075,621 0.195,622 0.041,623 0.117,624 0.09,625 -0.075,626 -0.154,627 0.01,628 -0.091,629 -0.003,630 -0.031,631 -0.167,632 -0.005,633 -0.196,634 -0.108,635 -0.081,636 -0.141,637 -0.293,638 0.078,639 -0.131,640 0.12,641 -0.236,642 0.061,643 0.256,644 -0.069,645 -0.063,646 -0.166,647 0.126,648 -0.202,649 -0.129,650 -0.05,651 -0.18,652 -0.073,653 -0.124,654 -0.121,655 0.368,656 0.038,657 0.371,658 0.044,659 0.299,660 0.165,661 2.726,662 6.515,663 0.706,664 33.488,665 1.022,666 1.114,667 2.924,668 8.549,669 0.714,670 3.664,671 4.06,672 4.431,673 4.754,674 5.017,675 5.204,676 5.371,677 5.545,678 5.638,679 5.724,680 7.067,681 0.708,682 451.47,683 3.664,684 5.252,685 6.155,686 7.077,687 7.999,688 8.928,689 9.856,690 10.789,691 11.721,692 12.657,693 9.8,701 2,702 1,703 2,708 2,709 8,710 2,714 6,715 2,716 21,725 1,732 1,735 51,737 26,738 2,739 38,741 55,742 25,743 16,744 4,745 8,746 6,748 5,749 8,754 2,761 1,762 22,763 2,767 4,772 2,774 1,776 5,780 1,783 17,784 7,785 2,786 9,789 1,792 5,797 0.6,798 4,807 1,815 2,816 3,819 2,825 1,834 1,835 3,841 1,843 3,847 2,851 34,857 2,866 1,870 1,872 1,874 7.8,876 2,877 2,881 18,882 10.233,883 7.361,884 2.958,886 5.298,887 1.618,888 0.989,889 5.024,890 13.876,891 4.016,892 4.691,893 5.397,894 6.057,895 6.619,896 7.101,897 7.598,898 8.077,899 8.459,900 8.884,901 1,902 64,903 12.598,905 5.672,906 8.093,907 23.03,909 19.232,911 2.593,912 88.167,915 1,916 176.567,917 153.21,918 68.184,920 135.657,923 153.21,924 312.223,925 68.184,926 17.65,928 85.286,929 193.649,930 58.321,931 2.144,932 176.567,934 176.567,935 221.394,936 135.657,939 176.567,940 135.657,943 59.614,944 118.855,945 42.925,947 176.567,948 203.84,949 153.21,952 176.567,953 33.672,954 106.612,955 16.602,956 200.164,957 176.567,958 203.84,959 153.21,961 0.598,962 0.376,963 0.208,964 0.112,965 30,966 15,967 0.055,968 3,969 2,970 1.167,971 4.247,972 346.15,973 0.167,974 24,975 164.219,981 21.542,982 7.93,983 3.308,984 1.188,985 200.164,986 13.02,987 8.83,991 1.406,992 2.678,993 85.367,994 533.617,995 54.5,1000 24.628,1002 1.52,1004 -0.456,1007 52.12,1008 56.82,1009 0.291,1010 0.73,1011 0.836,1012 0.933,1013 0.939,1014 0.939,1015 5.295,1016 1.732,1017 6.184,1018 6.865,1019 4.745,1020 5.38,1021 2.73,1022 7.096,1023 4.692,1024 6.565,1025 1.558,1026 7.813,1027 4.921,1028 4.511,1029 5.345,1031 8.182,1032 4.422,1033 7.919,1034 1.459,1035 9.541,1036 4.48,1037 6.441,1038 7.699,1039 3.821,1040 11.343,1041 6.328,1042 9.311,1043 1.333,1044 11.326,1045 4.105,1046 7.022,1047 8.498,1049 13.239,1050 6.867,1051 10.734,1052 1.111,1053 13.145,1054 2.965,1055 8.456,1056 10.328,1057 5.089,1058 15.94,1059 8.275,1060 12.18,1061 1,1062 14.988,1063 2.804,1064 9.386,1065 11.507,1067 18.171,1068 9.159,1069 13.645,1070 0.951,1071 16.848,1072 2.275,1073 10.65,1074 13.136,1075 6.44,1076 20.727,1077 10.392,1078 3.421,1079 0.675,1080 18.721,1081 2.27,1082 11.73,1083 14.494,1085 23.105,1086 11.427,1087 3.208,1088 12.48,1089 20.605,1090 1.651,1091 12.939,1092 16.045,1093 7.828,1094 25.616,1095 12.602,1096 2.838,1097 11.046,1098 22.498,1099 4.686,1100 14.085,1101 17.487,1103 28.061,1104 13.705,1105 2.753,1106 9.749,1107 24.398,1108 4.339,1109 15.282,1110 19.012,1111 9.233,1112 30.562,1113 14.864,1114 2.474,1115 8.541,1116 26.305,1117 3.905,1118 16.458,1119 20.494,1121 33.04,1122 15.999,1123 2.354,1124 8.19,1125 28.218,1126 3.718,1127 17.655,1128 22.013,1129 10.646,1130 35.541,1131 17.159,1132 2.078,1133 7.804,1134 30.135,1135 3.219,1136 18.848,1137 23.515,1139 38.035,1140 18.311,1141 15044,1142 27315,1143 24.797,1144 36.415,1145 61.078,1146 63.815,1147 62.84,1148 58.75,1149 58.663,1150 81.005,1151 8.902,1152 182.272,1153 57.133,1154 5.676,1155 6.099,1156 6.833,1157 5.437,1158 5.421,1159 7.686,1160 4.069,1161 20.48,1162 5.306,1163 20.288,1164 1.607,1165 1.679,1166 1.654,1167 1.546,1168 1.544,1169 2.132,1170 0.234,1171 4.797,1172 1.503,1173 4.172,1174 4.206,1175 4.154,1176 4.053,1177 7.475,1178 4.073,1179 4.029,1180 4.068,1181 4.002,1182 3.908,1183 7.428,1184 3.922,1185 3.825,1186 3.846,1187 3.779,1188 3.756,1189 6.82,1190 3.758,1191 3.704,1192 3.734,1193 3.659,1194 3.597,1195 6.471,1196 3.61,1197 3.312,1198 3.352,1199 3.287,1200 3.123,1201 6.351,1202 3.158,1203 3.288,1204 3.311,1205 3.228,1206 3.102,1207 5.007,1208 3.119,1209 3.224,1210 3.268,1211 3.142,1212 3.026,1213 4.873,1214 3.053,1215 3.058,1216 3.126,1217 2.883,1218 2.812,1219 4.579,1220 2.812,1221 0.127,1222 0.108,1223 0.188,1224 0.115,1225 0.09,1226 4.818,1227 0.123,1228 4.099,1229 0.054,1230 7.153,1231 0.328,1232 4.386,1233 0.087,1234 3.421,1235 4.686,1236 2.035,1237 12.48,1238 3.306,1239 1.946,1240 1.923,1241 2.022,1242 2.058,1243 1.166,1244 2.044,1245 1.913,1246 1.89,1247 2.005,1248 2.022,1249 1.102,1250 2.015,1251 1.855,1252 1.832,1253 1.94,1254 1.946,1255 1.061,1256 1.946,1257 1.577,1258 1.546,1259 1.746,1260 1.714,1261 0.861,1262 1.723,1263 1.345,1264 1.298,1265 1.506,1266 1.635,1267 0.571,1268 1.572,1269 1.228,1270 1.171,1271 1.43,1272 1.477,1273 0.504,1274 1.481,1275 1.155,1276 1.115,1277 1.272,1278 1.375,1279 0.31,1280 1.346,1281 1.004,1282 0.973,1283 1.181,1284 1.302,1285 0.218,1286 1.245,1287 4.344,1289 5.72,1290 3.045,1291 7.296,1292 5.533,1293 8.964,1294 7.735,1295 10.682,1297 3.358,1302 20.021,1312 9.82,1313 2.154,1314 36.127,1315 84.101,1316 211.255,1317 241.784,1318 269.784,1319 271.784,1320 271.784,1321 78.059,1322 8.579,1323 133.51,1324 133.51,1325 28,1326 13.156,1327 4.755,1328 4.129,1329 49.961,1330 144,1331 163,1332 0.171,1333 219.657,1334 386.22,1335 527.724,1336 67930,1338 24.146,1339 0.71,1340 0.534,1341 24.146,1342 18.143,1343 16.312,1344 0.429,1345 0.271,1346 10.155,1347 15.703,1348 9.884,1349 8.184,1350 16.312,1351 10.294,1352 15.194,1353 0.267,1354 0.137,1355 15.194,1356 7.821,1357 13.821,1358 0.167,1359 0.07,1360 13.821,1361 5.838,1362 11.953,1363 0.104,1364 0.035,1365 11.953,1366 4.052,1367 9.536,1368 0.064,1369 0.018,1370 9.536,1371 2.738,1372 0.266,1373 102.388,1374 0.201,1375 30.983,1376 0.477,1377 190,1378 611.996,1379 209.542,1380 598.329,1381 818.39,1382 554,1383 235,1384 615.654,1385 255.823,1386 622.653,1387 922.32,1388 586,1389 5.1}
{0 CHEMBL2006933,1 1.669,2 6.706,3 2.049,4 4.196,5 68.873,6 8.975,7 0.842,8 3.429,9 3.513,10 3.227,11 3.129,12 4.637,13 3.076,14 3.871,15 3.992,16 3.546,17 3.502,18 4.999,19 3.433,20 4.033,21 4.148,22 3.722,23 3.592,24 5.247,25 3.542,26 4.106,27 4.26,28 3.521,29 3.514,30 5.34,31 3.43,32 4.061,33 4.28,34 3.205,35 3.326,36 5.151,37 3.193,38 3.697,39 3.917,40 2.857,41 2.997,42 4.703,43 2.812,44 3.398,45 3.644,46 2.533,47 2.622,48 4.429,49 2.399,50 2.912,51 3.166,52 1.986,53 2.187,54 3.668,55 1.934,56 0.029,57 0.362,58 4.206,59 2.366,60 6.563,61 2.563,62 0.067,63 0.605,64 10.602,65 4.366,66 8.103,67 4.523,68 0.074,69 0.689,70 10.431,71 4.66,72 8.638,73 5.063,74 0.152,75 0.736,76 11.185,77 5.025,78 23.351,79 5.491,80 0.232,81 0.733,82 13.942,83 5.238,84 31.37,85 5.626,86 0.07,87 0.474,88 10.269,89 4.285,90 13.416,91 5.051,92 0.143,93 0.365,94 9.142,95 3.331,96 19.173,97 3.713,98 0.052,99 0.243,100 7.135,101 2.261,102 5.148,103 2.537,104 6,105 27,106 0.32,107 0.653,108 0.797,109 0.865,110 0.879,111 0.879,112 2.911,113 1.014,114 -3.1,115 -3.1,116 -2.98,119 48.1,124 1,142 3,143 3,144 2,145 3,146 1,172 5,175 4,180 1,183 5,188 6,193 2,196 5,200 2,203 1,205 2,208 2,212 1,213 1,218 2,221 2,233 2,241 1,250 1,276 251,277 11.784,278 11.784,279 11.784,280 11.784,281 11.784,282 9.919,283 3.337,284 6.822,285 12.207,286 9.287,287 9.287,288 9.287,289 9.287,290 9.287,291 6.486,292 1.827,293 3.098,294 9.821,295 3.086,296 1.353,297 0.602,298 0.25,299 0.176,300 0.176,301 3.59,305 1,306 1,307 248,308 2,312 84.92,316 94.083,319 1.135,320 13.293,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 36,332 114,333 4.712,334 4.364,335 6.844,336 4.212,337 3.235,338 4.781,339 2.95,340 11.333,341 3.164,342 4.187,343 3.205,344 6.239,345 3.715,346 2.757,347 3.919,349 9.163,350 2.635,351 3.549,352 2.754,353 5.488,354 3.063,355 2.123,356 2.986,358 6.791,359 1.979,360 3.332,361 2.29,362 4.887,363 2.824,364 1.86,365 2.722,367 5.252,368 1.789,369 2.97,370 1.958,371 4.113,372 2.435,373 1.488,374 2.198,376 3.457,377 1.403,378 2.678,379 1.569,380 3.61,381 2.134,382 1.202,383 1.762,385 2.848,386 1.116,387 2.307,388 1.284,389 3.458,390 1.826,391 0.89,392 1.224,394 2.033,395 0.823,396 1.834,397 1.139,398 3.04,399 1.444,400 0.618,401 0.736,403 1.121,404 0.501,405 1.255,406 0.707,407 2.725,408 0.791,409 -0.109,410 -0.137,412 -0.217,413 -0.095,414 1.06,415 -0.023,416 2.376,417 0.573,418 -0.359,419 -0.503,421 -0.831,422 -0.329,423 0.846,424 -0.478,425 2.238,426 0.373,427 -0.566,428 -0.806,430 -1.343,431 -0.533,432 0.555,433 -0.616,434 2,435 0.022,436 -0.929,437 -1.36,439 -2.263,440 -0.873,441 0.107,442 -0.973,443 2,444 -0.402,445 -1.354,446 -1.756,448 -3.805,449 -1.212,450 -0.038,451 -1.194,452 1.358,453 -0.445,454 -1.38,455 -1.868,457 -3.963,458 -1.276,459 -0.311,460 -1.423,461 1.259,462 -0.748,463 -1.618,464 -2.177,466 -4.52,467 -1.435,468 8.467,469 0.498,470 0.363,471 0.021,472 25.75,473 1.515,474 15,475 0.882,476 10.75,477 0.632,478 10.212,479 0.601,480 16.733,481 0.62,482 14.984,483 0.881,484 4.791,485 0.282,486 3.518,487 0.207,488 0.098,490 0.354,496 0.91,497 0.967,498 0.695,499 0.746,500 0.956,501 0.739,502 0.838,503 0.953,504 1.114,505 1,506 0.702,507 0.787,508 0.835,509 1.207,510 0.8,511 1.084,512 0.837,513 0.942,514 1.205,515 1.163,516 0.961,517 1.039,518 1.217,519 1.132,520 1.541,521 0.731,522 1.063,523 0.821,524 1.563,525 0.995,526 0.843,527 1.088,528 1.043,529 1.153,530 0.917,531 1.2,532 1.058,533 0.825,534 1.204,535 0.998,536 1.213,537 1.027,538 0.419,539 1.218,540 1.703,541 1.631,542 0.32,543 1.291,544 2.5,546 2.444,547 1.375,548 1.191,549 0.444,550 0.242,551 0.102,552 0.033,553 0.016,554 2161,555 6544,556 2.127,557 37,559 6,561 3,562 1,567 1.575,568 2,569 2.759,570 -0.256,574 1,577 45.057,578 1.669,579 3.402,580 4.152,581 4.505,582 4.579,583 4.579,584 2.278,585 3.97,586 4.06,587 2.795,588 380.073,589 6.889,590 3265.33,591 1,592 1,594 1,595 128.382,596 1.379,597 4.023,598 0.132,600 0.091,601 0.046,602 0.05,603 0.028,604 0.024,605 0.017,606 0.011,607 0.016,608 0.413,609 0.83,610 1,611 0.844,612 68.044,613 -0.108,614 -0.022,615 0.04,616 0.091,617 -0.155,618 0.059,619 -0.105,620 0.06,621 -0.126,622 -0.013,623 -0.058,624 0.089,625 0.062,626 -0.256,627 0.032,628 -0.204,629 0.056,630 -0.093,631 -0.044,632 -0.205,633 -0.16,634 -0.191,635 -0.02,636 -0.261,637 -0.261,638 0.269,639 -0.127,640 0.109,641 -0.263,642 -0.022,643 0.028,644 -0.217,645 0.017,646 -0.109,647 0.045,648 -0.12,649 0.137,650 0.131,651 0.077,652 0.171,653 0.058,654 0.101,655 0.112,656 -0.218,657 -0.135,658 -0.278,659 0.091,660 -0.083,661 1.36,662 4.133,663 0.824,664 9.107,665 1.005,666 1.103,667 1.87,668 3.499,669 0.747,670 2.996,671 3.332,672 3.689,673 3.97,674 4.234,675 4.304,676 4.431,677 4.477,678 4.477,679 4.19,680 3.937,681 0.706,682 242.32,683 2.996,684 4.533,685 5.416,686 6.312,687 7.212,688 8.115,689 9.02,690 9.926,691 10.833,692 11.741,693 7.4,703 2,708 4,709 6,710 2,714 2,716 16,732 1,735 27,737 16,738 1,739 19,741 29,742 13,743 12,744 4,745 2,748 3,749 6,762 12,763 1,780 1,783 10,784 3,785 1,786 4,787 1,792 2,797 0.333,798 1,809 2,816 3,820 2,843 1,844 1,845 1,847 1,851 17,857 1,862 1,874 3.7,876 1,881 8.5,882 5.267,883 3.806,884 1.46,886 3.552,887 1.536,888 0.999,889 2.466,890 10.181,891 3.332,892 4.052,893 4.799,894 5.494,895 6.173,896 6.607,897 7.116,898 7.561,899 7.969,900 8.027,901 0.8,902 30,903 6.247,905 2.675,906 7.725,907 11.899,909 9.821,911 2.225,912 37.833,913 0.002,916 105.94,917 106.395,918 33.571,920 42.683,922 32.22,923 74.175,924 148.623,925 33.571,926 7.19,928 28.429,929 111.568,930 38.556,932 102.846,934 105.94,935 107.746,936 42.683,937 32.22,939 105.94,940 42.683,943 29.286,944 44.889,945 33.571,946 32.22,947 105.94,948 76.254,949 106.395,952 105.94,953 43.633,954 62.761,956 76.254,957 105.94,958 76.254,959 106.395,961 0.58,962 0.37,963 0.207,964 0.111,965 15,966 6,967 0.034,968 1,969 2,970 1.286,971 2.888,972 126.822,973 0.286,974 14,975 69.487,977 1,981 10.513,982 3.987,983 1.573,984 3.653,985 76.254,986 11.015,987 8.514,991 1.104,993 42.683,994 288.589,995 27,1007 27.142,1008 29.787,1009 0.351,1010 0.715,1011 0.873,1012 0.947,1013 0.963,1014 0.963,1015 4.543,1016 0.618,1017 5.407,1018 2.033,1019 4.007,1020 4.736,1021 2.913,1022 6.275,1023 3.916,1024 5.793,1025 -0.109,1026 7.002,1027 1.121,1028 3.611,1029 4.691,1031 7.306,1032 3.509,1033 7.136,1034 -0.359,1035 8.703,1036 -0.217,1037 5.645,1038 7.151,1039 5.027,1040 10.449,1041 5.501,1042 8.526,1043 -0.566,1044 10.467,1045 -0.831,1046 6.111,1047 7.976,1049 12.301,1050 5.951,1051 9.95,1052 -0.929,1053 12.27,1054 -1.343,1055 7.6,1056 9.883,1057 7.185,1058 14.969,1059 7.415,1060 11.399,1061 -1.354,1062 14.098,1063 -2.263,1064 8.456,1065 11.109,1067 17.144,1068 8.252,1069 12.868,1070 -1.38,1071 15.944,1072 -3.805,1073 9.735,1074 12.799,1075 9.348,1076 19.653,1077 9.511,1078 3.235,1079 -1.618,1080 17.803,1081 -3.963,1082 10.764,1083 14.209,1085 21.964,1086 10.52,1087 2.757,1088 11.333,1089 19.672,1090 -4.52,1091 11.965,1092 15.813,1093 11.511,1094 24.416,1095 11.702,1096 2.123,1097 9.163,1098 21.549,1099 4.781,1100 13.069,1101 17.306,1103 26.787,1104 12.787,1105 1.86,1106 6.791,1107 23.432,1108 3.919,1109 14.242,1110 18.879,1111 13.675,1112 29.218,1113 13.941,1114 1.488,1115 5.252,1116 25.32,1117 2.986,1118 15.38,1119 20.408,1121 31.617,1122 15.059,1123 1.202,1124 3.457,1125 27.212,1126 2.722,1127 16.545,1128 21.97,1129 15.838,1130 34.042,1131 16.205,1132 0.89,1133 2.848,1134 29.108,1135 2.198,1136 17.698,1137 23.516,1139 36.454,1140 17.338,1141 2143,1142 3799,1143 12.83,1144 20.159,1145 28.404,1146 32.136,1147 29.885,1148 28.317,1149 28.346,1150 40.655,1151 5.9,1152 83.996,1153 26.821,1154 5.257,1155 6.364,1156 6.528,1157 5.253,1158 5.235,1159 7.781,1160 5.9,1161 18.867,1162 5.164,1163 6.646,1164 1.495,1165 1.691,1166 1.573,1167 1.49,1168 1.492,1169 2.14,1170 0.311,1171 4.421,1172 1.412,1173 4.153,1174 4.173,1175 4.161,1176 4.098,1177 6.468,1178 4.1,1179 3.699,1180 3.727,1181 3.849,1182 3.636,1183 5.038,1184 3.613,1185 3.31,1186 3.359,1187 3.436,1188 3.248,1189 4.69,1190 3.201,1191 3.151,1192 3.227,1193 3.122,1194 3.052,1195 4.237,1196 2.995,1197 2.904,1198 2.948,1199 2.828,1200 2.724,1201 3.938,1202 2.713,1203 2.841,1204 2.899,1205 2.711,1206 2.651,1207 3.721,1208 2.674,1209 2.5,1210 2.563,1211 2.339,1212 2.285,1213 3.512,1214 2.28,1215 2.348,1216 2.416,1217 2.24,1218 2.137,1219 3.176,1220 2.154,1221 0.248,1222 0.23,1223 0.36,1224 0.222,1225 0.17,1226 4.712,1227 0.252,1228 4.364,1229 0.155,1230 6.844,1231 0.596,1232 4.212,1233 0.167,1234 3.235,1235 4.781,1236 2.95,1237 11.333,1238 3.164,1239 2.115,1240 2.098,1241 2.162,1242 2.186,1243 1.319,1244 2.182,1245 1.655,1246 1.635,1247 1.717,1248 1.777,1249 0.845,1250 1.775,1251 1.306,1252 1.262,1253 1.523,1254 1.445,1255 0.624,1256 1.505,1257 1.158,1258 1.089,1259 1.43,1260 1.359,1261 0.469,1262 1.396,1263 0.864,1264 0.805,1265 1.095,1266 1.091,1267 0.178,1268 1.057,1269 0.771,1270 0.728,1271 0.928,1272 1.025,1274 1.032,1275 0.468,1276 0.402,1277 0.8,1278 0.736,1280 0.761,1281 0.293,1282 0.228,1283 0.62,1284 0.56,1286 0.591,1287 3.664,1289 4.99,1291 6.558,1293 8.235,1295 9.965,1297 1.924,1302 10.133,1307 1.491,1314 19.052,1315 45.057,1316 91.853,1317 112.117,1318 121.627,1319 123.627,1320 123.627,1321 20.622,1322 6.629,1323 46.01,1324 71.31,1325 18,1326 12.258,1327 4.087,1328 3.17,1329 23.587,1330 41,1331 41,1332 0.311,1333 121.515,1334 194.5,1335 288.256,1336 5566,1338 11.828,1339 0.696,1340 0.59,1341 12.182,1342 10.03,1343 8.309,1344 0.437,1345 0.338,1346 5.253,1347 7.61,1348 4.97,1349 4.132,1350 8.867,1351 6.419,1352 7.218,1353 0.267,1354 0.17,1355 7.685,1356 4.582,1357 6.753,1358 0.173,1359 0.091,1360 7.303,1361 3.55,1362 5.772,1363 0.111,1364 0.046,1365 6.207,1366 2.41,1367 4.679,1368 0.069,1369 0.024,1370 4.978,1371 1.623,1372 0.454,1373 56.961,1374 0.279,1375 16.549,1376 0.956,1377 92,1378 260.3,1379 116.154,1380 278.866,1381 385.04,1382 262,1383 112,1384 272.322,1385 133.855,1386 291.745,1387 427.87,1388 273,1389 5.1}
{0 CHEMBL2007002,1 1.568,2 10.778,3 3.922,4 15.379,5 102.25,6 8.168,7 0.733,8 3.91,9 4.01,10 3.551,11 3.487,12 5.14,13 3.489,14 4.364,15 4.488,16 3.899,17 3.856,18 5.57,19 3.845,20 4.575,21 4.727,22 3.968,23 3.955,24 5.824,25 3.923,26 4.633,27 4.817,28 3.878,29 3.906,30 5.833,31 3.861,32 4.597,33 4.797,34 3.775,35 3.837,36 5.765,37 3.788,38 4.492,39 4.676,40 3.793,41 3.783,42 5.686,43 3.753,44 4.456,45 4.634,46 3.703,47 3.735,48 5.648,49 3.698,50 4.436,51 4.654,52 3.563,53 3.631,54 5.55,55 3.565,56 0.097,57 0.621,58 7.479,59 3.768,60 10.517,61 4.257,62 0.191,63 0.952,64 13.001,65 6.095,66 19.029,67 7.124,68 0.359,69 1.157,70 17.547,71 7.618,72 39.431,73 9.2,74 0.347,75 1.215,76 20.222,77 7.992,78 38.237,79 9.787,80 0.367,81 1.123,82 21.206,83 8,84 54.446,85 9.771,86 0.265,87 1.042,88 17.92,89 7.012,90 37.634,91 8.573,92 0.285,93 1.035,94 16.63,95 6.259,96 36.737,97 7.409,98 0.352,99 0.977,100 18.233,101 6.66,102 38.737,103 8.6,104 11,105 42,106 0.266,107 0.592,108 0.721,109 0.86,110 0.879,111 0.879,112 3.34,113 0.837,114 -4.12,115 -4.07,116 -3.85,119 47.7,124 1,142 11,143 3,144 3,146 1,152 1,158 1,168 1,172 12,175 2,178 1,180 5,183 14,187 1,188 5,191 2,193 7,196 12,200 7,203 1,204 1,205 4,208 6,213 9,218 4,221 4,225 9,230 8,233 4,238 4,243 7,246 7,249 1,250 1,253 1,255 2,258 9,263 1,267 2,268 1,272 10,276 1130,277 18.524,278 18.524,279 18.524,280 18.524,281 18.524,282 15.838,283 12.596,284 10.857,285 18.83,286 14.742,287 14.742,288 14.742,289 14.742,290 14.742,291 10.659,292 15.484,293 5.075,294 15.141,295 3.892,296 1.974,297 1.217,298 0.398,299 0.29,300 0.29,301 4.038,304 1,305 1,306 1,307 631,308 3,311 60.71,312 241.4,315 107.846,319 1.786,320 26.009,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 58.5,332 291,333 4.615,334 3.611,335 6.705,336 4.166,337 3.179,338 4.553,339 1.058,340 10.869,341 3.136,342 4.299,343 3.157,344 6.229,345 3.899,346 2.925,347 3.962,348 0.86,349 9.331,350 2.855,351 3.982,352 2.955,353 5.904,354 3.597,355 2.625,356 3.492,358 8.159,359 2.541,360 3.858,361 2.599,362 5.667,363 3.464,364 2.494,365 3.337,367 7.574,368 2.408,369 3.624,370 2.515,371 5.28,372 3.186,373 2.19,374 3.014,376 6.558,377 2.172,378 3.008,379 1.983,380 4.49,381 2.531,382 1.546,383 2.22,385 4.334,386 1.52,387 2.979,388 1.742,389 4.344,390 2.491,391 1.538,392 2.187,394 3.954,395 1.472,396 2.879,397 1.53,398 4.196,399 2.45,400 1.488,401 2.017,403 3.822,404 1.412,405 2.821,406 1.519,407 3.879,408 2.334,409 1.329,410 1.942,412 3.111,413 1.332,414 2.549,415 1.159,416 3.531,417 2.021,418 1.039,419 1.54,421 2.623,422 1.015,423 2.5,424 1,425 3.247,426 2,427 1,428 1.5,430 2.136,431 1,432 2.018,433 0.941,434 3.215,435 1.522,436 0.557,437 0.777,439 1.353,440 0.53,441 1.72,442 0.663,443 2.88,444 1.405,445 0.505,446 0.605,448 0.883,449 0.453,450 1.179,451 0.426,452 2.712,453 0.826,454 -0.11,455 -0.132,457 -0.218,458 -0.101,459 1.152,460 0.279,461 2.592,462 0.764,463 -0.224,464 -0.293,466 -0.524,467 -0.219,468 12.7,469 0.47,470 0.606,471 0.022,472 40,473 1.481,474 23,475 0.852,476 17,477 0.63,478 17.323,479 0.642,480 27.5,481 0.625,482 30.234,483 1.12,484 8.263,485 0.306,486 4.889,487 0.181,488 0.092,490 0.354,496 0.834,497 0.953,498 0.728,499 0.868,500 0.756,501 0.79,502 0.875,503 1.116,504 0.803,505 0.963,506 0.653,507 0.89,508 0.817,509 1.109,510 0.931,511 1.072,512 0.836,513 1.034,514 1.025,515 1.089,516 1.048,517 1.09,518 1.016,519 1.072,520 1.223,521 0.936,522 0.997,523 0.897,524 1.439,525 0.903,526 1.104,527 1.116,528 0.901,529 0.97,530 1.101,531 0.91,532 1.251,533 1.17,534 1.166,535 1.064,536 1.186,537 1.078,538 0.931,539 0.964,540 1,541 0.974,542 1.023,543 0.988,544 5,545 0.05,546 3.333,547 1.632,548 1.503,549 0.913,550 0.605,551 0.328,552 0.336,553 0.192,554 8985,555 25938,556 2.12,557 38.6,559 14,562 3,567 1.702,568 2,569 3.429,570 0.908,572 1,577 68.98,578 1.568,579 3.485,580 4.242,581 5.061,582 5.17,583 5.17,584 2.908,585 4.533,586 4.725,587 3.566,588 1251.51,589 8.207,590 15937.9,592 1,594 1,595 240.215,596 1.352,597 4.694,598 0.167,599 0.003,600 0.079,601 0.038,602 0.04,603 0.026,604 0.017,605 0.01,606 0.012,607 0.009,608 0.401,609 0.33,610 1,611 0.704,612 133.595,613 -0.057,614 0.127,615 0.019,616 0.079,617 -0.118,618 0.066,619 -0.03,620 -0.08,621 0.01,622 -0.003,623 -0.009,624 0.004,625 0.105,626 -0.093,627 -0.047,628 -0.111,629 0.065,630 -0.113,631 -0.048,632 -0.078,633 -0.096,634 -0.135,635 -0.03,636 -0.126,637 -0.158,638 0.023,639 0.012,640 0.086,641 -0.142,642 0.084,643 -0.107,644 -0.124,645 0.062,646 -0.002,647 -0.031,648 0.049,649 -0.224,650 -0.118,651 -0.227,652 -0.135,653 -0.168,654 -0.167,655 0.032,656 0.027,657 0.021,658 -0.006,659 -0.054,660 0.005,661 1.951,662 5.635,663 0.778,664 25.306,665 1.011,666 1.114,667 2.89,668 8.353,669 0.698,670 3.434,671 3.761,672 4.06,673 4.317,674 4.543,675 4.635,676 4.771,677 4.927,678 5.037,679 5.142,680 6.392,681 0.679,682 359.41,683 3.434,684 4.977,685 5.838,686 6.718,687 7.595,688 8.482,689 9.367,690 10.257,691 11.147,692 12.04,693 6.8,700 1,701 1,703 1,708 2,709 11,710 1,711 1,714 6,716 22,723 1,732 1,733 1,735 44,737 23,738 3,739 30,741 47,742 21,743 19,744 7,745 11,746 1,748 4,749 5,762 20,763 1,767 1,772 1,776 1,780 1,783 17,784 5,785 3,786 6,792 3,797 0.75,798 3,807 1,815 1,816 3,819 1,843 3,847 1,851 27,857 1,860 1,861 1,874 6.8,876 1,877 1,879 1,881 13.5,882 8.15,883 5.972,884 2.4,886 4.044,887 1.528,888 1.003,889 4.629,890 11.702,891 3.761,892 4.41,893 5.054,894 5.672,895 6.231,896 6.575,897 7.039,898 7.524,899 7.895,900 8.331,901 1,902 43,903 9.935,905 4.271,906 7.852,907 18.62,909 15.16,911 2.352,912 63.5,915 1,916 164.795,917 141.672,918 51.337,920 78.828,923 141.672,924 243.624,925 51.337,926 10.883,927 18.011,928 104.239,929 89.196,930 47.364,931 2.144,932 164.795,934 164.795,935 193.008,936 78.828,939 164.795,940 78.828,943 37.431,944 138.915,945 16.663,947 164.795,948 130.165,949 141.672,952 164.795,953 26.55,954 115.122,955 34.674,956 95.491,957 164.795,958 130.165,959 141.672,961 0.58,962 0.349,963 0.187,964 0.099,965 21,966 9,967 0.085,968 4,969 1,970 1.095,971 3.899,972 234.688,973 0.095,974 21,975 124.382,981 17.28,982 7.232,983 3.428,984 1.482,985 113.502,986 20.05,987 4.172,988 2.89,991 3.244,993 77.357,994 436.632,995 42,1000 12.635,1004 -0.284,1007 44.473,1008 49.03,1009 0.287,1010 0.638,1011 0.777,1012 0.927,1013 0.947,1014 0.947,1015 4.98,1016 1.488,1017 5.82,1018 3.954,1019 4.443,1020 5.097,1021 1.552,1022 6.637,1023 4.395,1024 6.205,1025 1.329,1026 7.383,1027 3.822,1028 4.007,1029 4.902,1031 7.545,1032 3.937,1033 7.521,1034 1.039,1035 9.047,1036 3.111,1037 6.043,1038 7.365,1039 1.527,1040 10.647,1041 5.955,1042 8.876,1043 1,1044 10.769,1045 2.623,1046 6.447,1047 8.024,1049 12.386,1050 6.334,1051 10.263,1052 0.557,1053 12.528,1054 2.136,1055 7.932,1056 9.931,1057 1.53,1058 14.996,1059 7.808,1060 11.673,1061 0.505,1062 14.314,1063 1.353,1064 8.719,1065 11.003,1067 17.08,1068 8.571,1069 13.102,1070 -0.11,1071 16.117,1072 0.883,1073 9.983,1074 12.674,1075 1.557,1076 19.524,1077 9.826,1078 3.179,1079 -0.224,1080 17.935,1081 -0.218,1082 10.95,1083 13.957,1085 21.761,1086 10.772,1087 2.925,1088 10.869,1089 19.763,1090 -0.524,1091 12.126,1092 15.525,1093 1.603,1094 24.148,1095 11.938,1096 2.625,1097 9.331,1098 21.6,1099 4.553,1100 13.178,1101 16.916,1103 26.457,1104 12.973,1105 2.494,1106 8.159,1107 23.444,1108 3.962,1109 14.321,1110 18.441,1111 1.663,1112 28.828,1113 14.106,1114 2.19,1115 7.574,1116 25.294,1117 3.492,1118 15.415,1119 19.888,1121 31.171,1122 15.185,1123 1.546,1124 6.558,1125 27.149,1126 3.337,1127 16.549,1128 21.398,1129 1.734,1130 33.541,1131 16.307,1132 1.538,1133 4.334,1134 29.008,1135 3.014,1136 17.664,1137 22.874,1139 35.9,1140 17.409,1141 8537,1142 14627,1143 20.285,1144 30.71,1145 45.304,1146 46.374,1147 46.333,1148 44.826,1149 44.832,1150 62.293,1151 3.837,1152 129.41,1153 43.692,1154 5.447,1155 5.611,1156 6.507,1157 5.191,1158 5.179,1159 7.553,1160 2.117,1161 17.977,1162 5.136,1163 11.651,1164 1.51,1165 1.546,1166 1.544,1167 1.494,1168 1.494,1169 2.076,1170 0.128,1171 4.314,1172 1.456,1173 4.137,1174 4.169,1175 4.107,1176 4.047,1177 7.429,1178 4.056,1179 3.898,1180 3.929,1181 3.847,1182 3.822,1183 6.47,1184 3.82,1185 3.871,1186 3.894,1187 3.813,1188 3.776,1189 5.058,1190 3.785,1191 3.441,1192 3.471,1193 3.391,1194 3.271,1195 4.771,1196 3.297,1197 3.261,1198 3.319,1199 3.165,1200 3.001,1201 4.763,1202 3.029,1203 3.176,1204 3.246,1205 3.022,1206 2.927,1207 4.441,1208 2.938,1209 2.926,1210 2.981,1211 2.813,1212 2.798,1213 4.187,1214 2.794,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.926,1220 2.715,1221 0.154,1222 0.12,1223 0.224,1224 0.139,1225 0.106,1226 4.615,1227 0.152,1228 3.611,1229 0.035,1230 6.705,1231 0.362,1232 4.166,1233 0.105,1234 3.179,1235 4.553,1236 1.058,1237 10.869,1238 3.136,1239 2.006,1240 1.99,1241 2.078,1242 2.074,1243 1.231,1244 2.075,1245 1.887,1246 1.857,1247 2.01,1248 1.991,1249 1.062,1250 1.997,1251 1.775,1252 1.759,1253 1.867,1254 1.888,1255 0.979,1256 1.88,1257 1.432,1258 1.39,1259 1.569,1260 1.709,1261 0.575,1262 1.655,1263 1.204,1264 1.139,1265 1.51,1266 1.512,1267 0.484,1268 1.529,1269 1.088,1270 1.028,1271 1.254,1272 1.375,1273 0.298,1274 1.342,1275 0.944,1276 0.893,1277 1.181,1278 1.132,1279 0.226,1280 1.127,1281 0.886,1282 0.821,1283 1.14,1284 1.062,1285 0.218,1286 1.107,1287 4.111,1289 5.434,1290 2.398,1291 6.957,1292 4.727,1293 8.568,1294 6.843,1295 10.223,1297 1.504,1302 9.785,1305 2.847,1306 5.175,1314 29.896,1315 68.98,1316 153.353,1317 186.651,1318 222.705,1319 227.46,1320 227.46,1321 43.306,1322 7.657,1323 87.24,1324 87.24,1325 23,1326 12.568,1327 4.585,1328 3.7,1329 40.182,1330 102,1331 104,1332 0.191,1333 182.806,1334 309.15,1335 437.807,1336 22473,1338 18.803,1339 0.696,1340 0.539,1341 18.803,1342 14.562,1343 13.152,1344 0.438,1345 0.279,1346 8.256,1347 12.674,1348 8.066,1349 6.715,1350 13.152,1351 8.374,1352 11.674,1353 0.278,1354 0.144,1355 11.674,1356 6.039,1357 10.264,1358 0.18,1359 0.076,1360 10.264,1361 4.323,1362 8.512,1363 0.115,1364 0.04,1365 8.512,1366 2.936,1367 6.766,1368 0.073,1369 0.021,1370 6.766,1371 1.96,1372 0.299,1373 82.5,1374 0.222,1375 25.87,1376 0.529,1377 144,1378 437.932,1379 156.692,1380 425.884,1381 584.92,1382 398,1383 171,1384 434.917,1385 184.415,1386 443.068,1387 645.35,1388 416,1389 5.1}
{0 CHEMBL2007044,1 1.372,2 12.679,3 4.694,4 22.031,5 113.013,6 7.5,7 0.548,8 3.981,9 4.106,10 3.569,11 3.59,12 5.11,13 3.558,14 4.5,15 4.688,16 3.899,17 3.973,18 5.506,19 3.922,20 4.681,21 4.886,22 3.947,23 4.094,24 5.697,25 4.014,26 4.753,27 4.98,28 3.844,29 4.082,30 5.755,31 3.971,32 4.733,33 5.001,34 3.729,35 3.965,36 5.66,37 3.843,38 4.503,39 4.745,40 3.643,41 3.825,42 5.462,43 3.731,44 4.355,45 4.543,46 3.617,47 3.797,48 5.414,49 3.707,50 4.479,51 4.706,52 3.533,53 3.792,54 5.463,55 3.669,56 0.059,57 0.729,58 9.376,59 4.147,60 11.04,61 5.563,62 0.125,63 1.185,64 17.822,65 6.908,66 15.027,67 9.569,68 0.159,69 1.383,70 21.972,71 8.797,72 26.088,73 12.273,74 0.184,75 1.454,76 24.466,77 9.613,78 34.454,79 13.536,80 0.204,81 1.375,82 25.844,83 9.743,84 37.693,85 14.045,86 0.145,87 1.122,88 19.612,89 7.389,90 24.88,91 10.516,92 0.09,93 0.992,94 15.277,95 6.588,96 19.995,97 9.106,98 0.151,99 1.097,100 18.561,101 7.516,102 23.333,103 10.583,104 23,105 43,106 0.228,107 0.634,108 0.788,109 0.827,110 0.827,111 0.827,112 3.374,113 0.921,114 -4.33,115 -4.27,116 -4.03,119 46.9,120 2,121 1,125 3,141 2,142 5,143 5,145 1,146 2,152 1,158 1,168 1,172 12,175 7,180 2,183 15,187 1,188 6,193 4,196 13,199 1,200 6,205 3,208 13,213 6,216 1,218 3,221 10,225 6,230 1,233 10,237 1,238 5,246 9,250 5,253 2,258 8,263 1,264 3,272 4,276 1274,277 19.558,278 19.558,279 19.558,280 19.558,281 19.558,282 17.223,283 20.724,284 11.403,285 19.877,286 15.112,287 15.112,288 15.112,289 15.112,290 15.112,291 11.453,292 21.796,293 5.169,294 15.547,295 4.243,296 1.805,297 0.88,298 0.643,299 0.643,300 0.643,301 4.074,305 1,306 1,307 760,308 3.606,311 106.31,312 149.269,314 86.682,315 96.32,318 133.637,319 2.321,320 17.732,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 58.5,332 355,333 4.663,334 4.057,335 6.933,336 4.304,337 3.316,338 4.393,339 2.035,340 11.729,341 3.275,342 4.241,343 3.451,344 6.293,345 3.814,346 2.826,347 3.872,348 1.053,349 9.462,350 2.792,351 4.054,352 3.038,353 5.535,354 3.487,355 2.513,356 3.55,357 0.68,358 7.238,359 2.453,360 3.889,361 2.881,362 5.301,363 3.37,364 2.439,365 3.153,366 0.249,367 6.762,368 2.288,369 3.549,370 2.697,371 5.266,372 3.257,373 2.281,374 2.776,376 6.615,377 2.199,378 3.393,379 2.415,380 5.191,381 2.961,382 1.975,383 2.465,385 6.202,386 1.945,387 3.111,388 2.091,389 4.887,390 2.66,391 1.668,392 2.182,394 5.181,395 1.654,396 3.099,397 1.955,398 4.1,399 2.209,400 1.226,401 1.841,403 3.111,404 1.204,405 2.869,406 1.827,407 3.791,408 2.103,409 1.123,410 1.591,412 2.654,413 1.099,414 2.575,415 1.254,416 3.452,417 1.963,418 1,419 1.5,421 2.503,422 0.961,423 2.5,424 1,425 3.414,426 1.933,427 0.966,428 1.45,430 2.275,431 0.932,432 2.402,433 0.959,434 3.108,435 1.591,436 0.618,437 0.951,439 1.024,440 0.6,441 1.633,442 0.744,443 2.796,444 1.476,445 0.52,446 0.618,448 0.791,449 0.495,450 1.618,451 0.736,452 2.694,453 1.331,454 0.36,455 0.454,457 0.673,458 0.35,459 1.412,460 0.311,461 2.618,462 1.074,463 0.094,464 0.116,466 0.17,467 0.092,468 13.5,469 0.482,470 0.53,471 0.019,472 38.5,473 1.375,474 21,475 0.75,476 17.5,477 0.625,478 22.068,479 0.788,480 27.9,481 0.569,482 26.574,483 0.949,484 7.426,485 0.265,486 6.302,487 0.225,488 0.104,490 0.326,496 0.756,497 1.118,498 0.773,499 0.964,500 0.5,501 0.888,502 1.115,503 0.998,504 0.826,505 0.83,506 0.506,507 0.804,508 0.894,509 1.016,510 0.914,511 0.975,512 0.513,513 0.952,514 0.937,515 1.067,516 1.062,517 1.103,518 0.837,519 1.097,520 0.801,521 0.904,522 0.834,523 0.882,524 0.849,525 0.866,526 1.001,527 0.925,528 0.867,529 0.857,530 0.63,531 0.85,532 0.68,533 1.143,534 1.001,535 1.176,536 0.615,537 1.132,538 0.725,539 1.1,540 1.081,541 1.2,542 0.856,543 1.182,544 5,545 0.137,546 3.111,547 1.604,548 1.171,549 0.973,550 0.51,551 0.309,552 0.361,553 0.202,554 10342,555 25311,556 2.115,557 42.9,558 2,559 11,561 1,562 1,564 6,567 1.707,568 2,569 3.609,570 -0.394,577 67.231,578 1.372,579 3.81,580 4.735,581 4.972,582 4.972,583 4.972,584 3.115,585 4.138,586 4.767,587 3.782,588 1429.55,589 8.279,590 19182,592 1,595 275.121,596 1.333,597 4.748,598 0.161,599 0.007,600 0.072,601 0.036,602 0.031,603 0.029,604 0.016,605 0.01,606 0.013,607 0.009,608 0.384,609 0.17,610 1,611 1.549,612 142.294,613 0.119,614 -0.029,615 0.059,616 -0.008,617 0.097,618 0.014,619 -0.093,620 0.054,621 0.09,622 0.127,623 0.033,624 0.128,625 0.013,626 -0.011,627 0.018,628 0.004,629 0.14,630 0.01,631 -0.027,632 -0.088,633 -0.105,634 -0.12,635 -0.026,636 -0.121,637 0.11,638 0.026,639 0.183,640 0.121,641 -0.016,642 0.153,643 -0.041,644 0.05,645 0.116,646 0.129,647 0.015,648 0.137,649 0.074,650 -0.155,651 -0.1,652 -0.183,653 0.104,654 -0.164,655 0.126,656 -0.138,657 -0.124,658 -0.208,659 -0.009,660 -0.196,661 1.257,662 2.93,663 0.643,664 34.25,665 0.991,666 1.119,667 3.102,668 9.624,669 0.696,670 3.466,671 3.784,672 4.111,673 4.394,674 4.635,675 4.836,676 5.056,677 5.198,678 5.338,679 5.472,680 7.229,681 0.66,682 367.49,683 3.466,684 5.004,685 5.872,686 6.758,687 7.649,688 8.55,689 9.455,690 10.366,691 11.28,692 12.198,693 10.2,696 1,701 1,702 1,703 2,709 6,710 2,711 1,714 8,716 17,718 1,735 49,737 19,738 1,739 31,741 52,742 23,743 14,744 3,745 3,748 4,749 7,754 2,757 1,760 1,761 3,762 14,763 6,780 1,783 21,784 4,785 1,786 5,792 5,797 0.5,807 1,809 1,815 2,816 2,818 1,819 1,822 1,823 2,839 1,843 2,847 2,851 28,858 4,864 1,866 2,870 1,872 3,881 14,882 9.8,883 6.389,884 3.31,886 4.164,887 1.521,888 1.008,889 5.048,890 12.149,891 3.795,892 4.373,893 5.03,894 5.647,895 6.199,896 6.668,897 7.204,898 7.635,899 8.091,900 8.541,901 0.889,902 44,903 10.279,905 4.291,906 7.619,907 19.919,909 16.298,911 2.119,912 59.333,914 1,915 1,916 235.422,917 157.792,918 84.295,923 157.792,924 235.422,925 84.295,926 17.65,927 8.852,928 47.381,929 61.821,930 81.335,931 36.818,932 223.651,934 235.422,935 242.087,939 164.795,940 70.627,943 91.91,944 82.668,945 67.51,947 235.422,948 84.295,949 157.792,952 235.422,953 33.05,954 77.203,955 67.326,956 64.508,957 235.422,958 84.295,959 157.792,961 0.571,962 0.35,963 0.183,964 0.093,965 21,966 9,967 0.077,968 4,969 2,970 1.222,971 4.054,972 242.47,973 0.222,974 18,975 130.606,981 18.145,982 7.79,983 3.501,985 67.632,986 11.733,987 8.676,988 3.19,991 7.935,993 16.663,994 477.509,995 43.5,1007 48.578,1008 54.813,1009 0.244,1010 0.679,1011 0.843,1012 0.885,1013 0.885,1014 0.885,1015 5.045,1016 1.226,1017 5.849,1018 5.181,1019 4.466,1020 5.059,1021 2.514,1022 6.681,1023 4.417,1024 6.272,1025 1.123,1026 7.418,1027 3.111,1028 4.007,1029 4.745,1030 0.325,1031 7.636,1032 3.943,1033 7.59,1034 1,1035 9.086,1036 2.654,1037 6.075,1038 7.273,1039 3.628,1040 10.754,1041 5.989,1042 8.944,1043 0.966,1044 10.816,1045 2.503,1046 6.494,1047 7.85,1048 0.522,1049 12.584,1050 6.396,1051 10.33,1052 0.618,1053 12.586,1054 2.275,1055 7.987,1056 9.776,1057 4.977,1058 15.237,1059 7.875,1060 11.739,1061 0.52,1062 14.385,1063 1.024,1064 8.809,1065 10.782,1066 0.665,1067 17.433,1068 8.689,1069 13.167,1070 0.36,1071 16.207,1072 0.791,1073 10.089,1074 12.448,1075 6.381,1076 19.945,1077 9.958,1078 3.316,1079 0.094,1080 18.047,1081 0.673,1082 11.103,1083 13.675,1084 0.785,1085 22.293,1086 10.966,1087 2.826,1088 11.729,1089 19.901,1090 0.17,1091 12.307,1092 15.224,1093 7.798,1094 24.762,1095 12.16,1096 2.513,1097 9.462,1098 21.768,1099 4.393,1100 13.412,1101 16.566,1102 0.891,1103 27.172,1104 13.258,1105 2.439,1106 7.238,1107 23.645,1108 3.872,1109 14.595,1110 18.063,1111 9.218,1112 29.63,1113 14.431,1114 2.281,1115 6.762,1116 25.531,1117 3.55,1118 15.743,1119 19.465,1120 0.988,1121 32.066,1122 15.571,1123 1.975,1124 6.615,1125 27.424,1126 3.153,1127 16.923,1128 20.941,1129 10.638,1130 34.521,1131 16.741,1132 1.668,1133 6.202,1134 29.323,1135 2.776,1136 18.093,1137 22.374,1138 1.081,1139 36.97,1140 17.901,1141 10001,1142 15863,1143 20.978,1144 34.12,1145 47.919,1146 49.229,1147 48.005,1148 45.842,1149 45.851,1150 61.823,1151 8.033,1152 132.781,1153 44.677,1154 5.449,1155 6.057,1156 6.552,1157 5.343,1158 5.316,1159 7.393,1160 4.069,1161 19.269,1162 5.275,1163 12.784,1164 1.546,1165 1.588,1166 1.549,1167 1.479,1168 1.479,1169 1.994,1170 0.259,1171 4.283,1172 1.441,1173 4.13,1174 4.162,1175 4.098,1176 4.055,1177 6.821,1178 4.06,1179 3.873,1180 3.905,1181 3.833,1182 3.793,1183 5.053,1184 3.799,1185 3.753,1186 3.824,1187 3.668,1188 3.602,1189 4.837,1190 3.611,1191 3.625,1192 3.681,1193 3.539,1194 3.469,1195 4.742,1196 3.476,1197 3.309,1198 3.407,1199 3.219,1200 3.204,1201 4.438,1202 3.202,1203 3.306,1204 3.362,1205 3.108,1206 3.123,1207 4.207,1208 3.089,1209 3.149,1210 3.202,1211 3.04,1212 3.001,1213 3.892,1214 3.019,1215 3.023,1216 3.111,1217 2.851,1218 2.845,1219 3.819,1220 2.837,1221 0.15,1222 0.131,1223 0.224,1224 0.139,1225 0.107,1226 4.663,1227 0.142,1228 4.057,1229 0.066,1230 6.933,1231 0.378,1232 4.304,1233 0.106,1234 3.316,1235 4.393,1236 2.035,1237 11.729,1238 3.275,1239 1.923,1240 1.903,1241 2.01,1242 1.996,1243 1.177,1244 2,1245 1.868,1246 1.84,1247 1.946,1248 1.97,1249 1.149,1250 1.966,1251 1.688,1252 1.616,1253 1.928,1254 1.902,1255 1.052,1256 1.915,1257 1.515,1258 1.484,1259 1.725,1260 1.651,1261 0.869,1262 1.642,1263 1.36,1264 1.315,1265 1.646,1266 1.584,1267 0.849,1268 1.638,1269 1.351,1270 1.256,1271 1.547,1272 1.565,1273 0.667,1274 1.547,1275 1.238,1276 1.175,1277 1.356,1278 1.446,1279 0.393,1280 1.456,1281 1.029,1282 0.963,1283 1.211,1284 1.233,1285 0.27,1286 1.226,1287 4.143,1289 5.46,1290 3.045,1291 6.976,1292 5.476,1293 8.586,1294 7.644,1295 10.25,1297 4.308,1303 3.651,1309 2.297,1312 8.93,1313 8.613,1314 32.321,1315 67.231,1316 186.698,1317 232.001,1318 243.611,1319 243.611,1320 243.611,1321 37.634,1322 7.985,1323 68.6,1324 68.6,1325 22,1326 12.709,1327 4.322,1328 3.755,1329 42.658,1330 120,1331 126,1332 0.177,1333 200.663,1334 347.64,1335 481.379,1336 32727,1338 19.51,1339 0.697,1340 0.574,1341 19.51,1342 16.081,1343 13.728,1344 0.443,1345 0.307,1346 9.428,1347 13.367,1348 9.133,1349 7.617,1350 13.728,1351 9.514,1352 11.71,1353 0.272,1354 0.158,1355 11.71,1356 6.782,1357 10.668,1358 0.178,1359 0.087,1360 10.668,1361 5.195,1362 8.802,1363 0.11,1364 0.044,1365 8.802,1366 3.531,1367 6.892,1368 0.068,1369 0.022,1370 6.892,1371 2.223,1372 0.281,1373 84.698,1374 0.218,1375 27.067,1376 0.473,1377 148,1378 380.913,1379 155.938,1380 387.326,1381 543.12,1382 364,1383 177,1384 410.437,1385 186.103,1386 423.687,1387 617.33,1388 399,1389 5.3}
{0 CHEMBL2007064,1 1.531,2 9.304,3 2.843,4 8.084,5 88.378,6 7.57,7 0.44,8 3.811,9 3.922,10 3.375,11 3.375,12 4.983,13 3.357,14 4.315,15 4.47,16 3.761,17 3.771,18 5.542,19 3.73,20 4.528,21 4.703,22 3.761,23 3.878,24 5.655,25 3.817,26 4.63,27 4.833,28 3.664,29 3.894,30 5.687,31 3.794,32 4.645,33 4.887,34 3.667,35 3.814,36 5.711,37 3.715,38 4.611,39 4.853,40 3.699,41 3.721,42 5.792,43 3.658,44 4.467,45 4.654,46 3.372,47 3.593,48 5.706,49 3.514,50 4.342,51 4.587,52 3.064,53 3.446,54 5.352,55 3.301,56 0.057,57 0.571,58 8.029,59 3.754,60 10.644,61 4.666,62 0.211,63 0.913,64 14.557,65 6.426,66 40.498,67 8.504,68 0.234,69 1.087,70 19.091,71 7.616,72 44.065,73 9.818,74 0.255,75 1.186,76 21.861,77 8.455,78 43.69,79 11.289,80 0.291,81 1.153,82 23.778,83 8.852,84 46.245,85 12.3,86 0.355,87 1.075,88 23.666,89 8.146,90 54.795,91 11.249,92 0.456,93 0.912,94 19.976,95 6.56,96 83.503,97 7.912,98 0.287,99 0.815,100 18.06,101 6.346,102 51.54,103 8.604,104 29,105 36,106 0.269,107 0.673,108 0.798,109 0.876,110 0.884,111 0.884,112 3.189,113 0.899,114 -3.24,115 -3.23,116 -3.09,119 43.9,120 2,121 2,135 1,136 1,142 4,143 3,144 1,152 2,158 2,167 1,170 1,172 10,173 1,175 2,178 2,180 8,183 11,184 1,188 3,193 7,196 12,197 1,200 3,205 4,208 11,209 1,213 4,216 1,217 1,218 3,219 1,221 7,222 2,225 4,228 1,229 1,230 6,233 7,234 1,238 3,243 4,246 8,247 1,250 2,255 2,258 7,259 1,264 1,265 1,269 1,270 1,272 4,273 1,276 696,277 15.137,278 15.137,279 15.137,280 15.137,281 15.137,282 13.215,283 14.447,284 8.785,285 15.232,286 12.311,287 12.311,288 12.311,289 12.311,290 12.311,291 9.333,292 15.203,293 4.166,294 12.454,295 3.826,296 1.532,297 0.817,298 0.378,299 0.33,300 0.33,301 3.863,304 1,305 1,306 1,307 453,308 3.162,311 110.746,312 61.351,315 92.952,319 1.448,320 25.892,321 1,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 50,332 214,333 4.58,334 3.656,335 6.749,336 4.211,337 3.221,338 4.275,339 2.341,340 11.02,341 3.187,342 4.436,343 3.603,344 6.618,345 4.073,346 3.087,347 4.051,348 1.058,349 10.458,350 3.042,351 3.675,352 3.295,353 5.552,354 3.272,355 2.274,356 3.066,358 7.045,359 2.259,360 3.544,361 2.755,362 5.337,363 3.179,364 2.172,365 2.717,367 6.187,368 2.171,369 3.335,370 2.307,371 4.766,372 2.975,373 1.975,374 2.545,376 5.144,377 1.963,378 3.049,379 1.974,380 4.698,381 2.674,382 1.695,383 2.184,385 4.945,386 1.654,387 2.911,388 1.819,389 4.584,390 2.543,391 1.579,392 2.037,394 4.491,395 1.518,396 2.839,397 1.506,398 3.646,399 2.359,400 1.354,401 1.97,403 2.936,404 1.358,405 2.429,406 1.253,407 3.595,408 1.909,409 0.906,410 1.263,412 2.279,413 0.905,414 1.871,415 0.921,416 3.246,417 1.642,418 0.652,419 0.762,421 1.562,422 0.642,423 1.337,424 0.671,425 2.839,426 0.987,427 -0.004,428 -0.004,430 -0.009,431 -0.004,432 1.022,433 0.527,434 2.376,435 0.777,436 -0.227,437 -0.27,439 -0.529,440 -0.225,441 0.806,442 0.216,443 2.311,444 0.447,445 -0.566,446 -0.73,448 -1.422,449 -0.568,450 0.55,451 -0.171,452 2.16,453 0.144,454 -0.843,455 -1.115,457 -2,458 -0.832,459 0.474,460 -0.611,461 2,462 0.017,463 -1,464 -1.185,466 -2.127,467 -0.949,468 10.8,469 0.47,470 0.703,471 0.031,472 29.25,473 1.272,474 15,475 0.652,476 14.25,477 0.62,478 18.533,479 0.806,480 24.6,481 0.6,482 20.935,483 0.91,484 5.924,485 0.258,486 5.045,487 0.219,488 0.185,490 0.417,496 0.774,497 1.096,498 0.797,499 0.945,500 0.662,501 0.878,502 0.398,503 1.131,504 0.69,505 0.989,506 0.389,507 0.911,508 1,509 1.091,510 1.056,511 1.037,512 0.95,513 1.049,514 0.896,515 1.16,516 1.181,517 1.179,518 0.783,519 1.216,520 0.651,521 0.995,522 0.832,523 1.011,524 0.69,525 0.965,526 0.861,527 0.921,528 0.723,529 0.869,530 0.9,531 0.787,532 1.936,533 0.963,534 1.523,535 0.994,536 1.918,537 1.155,538 1.087,539 0.922,540 1.224,541 1.027,542 1.11,543 1.126,544 5,545 0.094,546 3.111,547 2.653,548 0.947,549 0.966,550 0.646,551 0.304,552 0.141,553 0.141,554 5259,555 15846,556 2.016,557 43.9,558 5,559 5,562 3,563 5,567 1.659,568 1.84,569 3.167,570 0.989,571 1,572 1,574 1,577 62.787,578 1.531,579 3.825,580 4.54,581 4.979,582 5.028,583 5.028,584 2.703,585 4.263,586 4.493,587 3.338,588 844.44,589 7.747,590 9467.38,591 1,592 1,594 1,595 219.66,596 1.538,597 4.428,598 0.2,599 0.009,600 0.086,601 0.076,602 0.032,603 0.032,604 0.021,605 0.014,606 0.009,607 0.012,608 0.491,609 0.33,610 1,611 1.265,612 106.838,613 -0.096,614 0.055,615 0.003,616 0.091,617 -0.085,618 0.072,619 0.241,620 -0.055,621 0.162,622 0.04,623 0.195,624 0.073,625 -0.152,626 -0.04,627 -0.156,628 -0.043,629 -0.122,630 -0.089,631 -0.131,632 -0.13,633 -0.265,634 -0.198,635 -0.075,636 -0.243,637 0.104,638 -0.035,639 0.141,640 -0.031,641 0.05,642 0.044,643 0.121,644 0.023,645 0.297,646 0.092,647 0.083,648 0.204,649 -0.448,650 0.011,651 -0.501,652 -0.055,653 -0.378,654 -0.25,655 -0.169,656 0.02,657 -0.226,658 -0.061,659 -0.163,660 -0.135,661 2.478,662 5.183,663 0.609,664 17.947,665 1.006,666 1.121,667 2.005,668 4.021,669 0.67,670 3.258,671 3.611,672 3.892,673 4.174,674 4.331,675 4.382,676 4.489,677 4.615,678 4.564,679 4.564,680 5.547,681 0.644,682 310.38,683 3.258,684 4.812,685 5.673,686 6.569,687 7.455,688 8.358,689 9.253,690 10.158,691 11.059,692 11.965,693 4.9,700 1,701 1,709 4,711 1,714 6,716 11,735 41,737 14,738 1,739 25,741 43,742 18,743 10,744 2,745 4,746 3,748 3,749 4,754 2,760 2,762 14,763 4,767 3,772 2,774 1,776 3,779 1,780 1,783 18,784 4,785 3,786 5,792 2,797 0.667,798 3,811 1,815 2,816 1,819 1,829 1,831 1,834 1,835 1,841 1,843 2,847 2,851 23,857 1,858 2,860 1,874 7.3,876 1,877 2,881 12.5,882 7.95,883 5,884 2.425,886 2.859,887 1.409,888 0.974,889 4.095,890 9.843,891 3.541,892 4.155,893 4.72,894 5.29,895 5.741,896 6.026,897 6.441,898 6.86,899 7.087,900 7.368,901 1,902 35,903 8.504,905 3.658,906 7.978,907 15.983,909 13.179,911 2.478,912 57,915 1,916 176.567,917 96.728,918 34.796,920 92.973,923 96.728,924 269.54,925 34.796,926 17.65,927 23.08,928 47.381,929 98.588,930 32.285,931 5.513,932 176.567,934 176.567,935 131.524,936 92.973,939 176.567,940 92.973,943 57.516,944 64.532,945 9.476,947 176.567,948 127.769,949 96.728,952 176.567,953 31.696,954 65.032,955 34.796,956 92.973,957 176.567,958 127.769,959 96.728,961 0.59,962 0.341,963 0.186,964 0.101,965 18,966 9,967 0.093,968 4,969 1,970 1.143,971 3.44,972 184.758,973 0.143,974 14,975 104.042,981 15.566,982 6.051,983 2.946,985 110.984,986 7.572,988 3.266,991 5.499,993 77.48,994 401.064,995 33.5,1000 22.969,1002 1.841,1004 -0.311,1007 41.254,1008 45.946,1009 0.286,1010 0.714,1011 0.847,1012 0.929,1013 0.938,1014 0.938,1015 4.794,1016 1.354,1017 5.687,1018 4.491,1019 4.29,1020 4.84,1021 2.468,1022 6.538,1023 4.267,1024 6.029,1025 0.906,1026 7.277,1027 2.936,1028 4.007,1029 4.771,1030 2.243,1031 7.522,1032 3.979,1033 7.358,1034 0.652,1035 8.968,1036 2.279,1037 5.922,1038 7.045,1039 3.693,1040 10.648,1041 5.875,1042 8.724,1043 -0.004,1044 10.718,1045 1.562,1046 6.447,1047 7.781,1048 4.112,1049 12.478,1050 6.393,1051 10.121,1052 -0.227,1053 12.504,1054 -0.009,1055 7.879,1056 9.568,1057 5.217,1058 15.125,1059 7.808,1060 11.543,1061 -0.566,1062 14.317,1063 -0.529,1064 8.768,1065 10.678,1066 5.889,1067 17.292,1068 8.687,1069 12.984,1070 -0.843,1071 16.15,1072 -1.422,1073 10.022,1074 12.267,1075 6.852,1076 19.771,1077 9.927,1078 3.221,1079 -1,1080 17.997,1081 -2,1082 11.068,1083 13.552,1084 7.625,1085 22.07,1086 10.961,1087 3.087,1088 11.02,1089 19.856,1090 -2.127,1091 12.256,1092 15.056,1093 8.526,1094 24.489,1095 12.137,1096 2.274,1097 10.458,1098 21.724,1099 4.275,1100 13.367,1101 16.421,1102 9.342,1103 26.838,1104 13.235,1105 2.172,1106 7.045,1107 23.599,1108 4.051,1109 14.532,1110 17.888,1111 10.216,1112 29.234,1113 14.388,1114 1.975,1115 6.187,1116 25.479,1117 3.066,1118 15.669,1119 19.291,1120 11.051,1121 31.604,1122 15.513,1123 1.695,1124 5.144,1125 27.364,1126 2.717,1127 16.827,1128 20.741,1129 11.912,1130 33.992,1131 16.66,1132 1.579,1133 4.945,1134 29.252,1135 2.545,1136 17.975,1137 22.162,1138 12.755,1139 36.371,1140 17.796,1141 5232,1142 9156,1143 16.126,1144 27.466,1145 38.541,1146 39.759,1147 39.985,1148 37.838,1149 37.833,1150 49.742,1151 6.798,1152 112.134,1153 37.397,1154 5.399,1155 5.656,1156 6.43,1157 5.241,1158 5.221,1159 7.275,1160 3.925,1161 18.079,1162 5.187,1163 13.29,1164 1.542,1165 1.59,1166 1.599,1167 1.514,1168 1.513,1169 1.99,1170 0.272,1171 4.485,1172 1.496,1173 4.081,1174 4.114,1175 4.039,1176 3.994,1177 7.474,1178 4.001,1179 3.935,1180 3.968,1181 3.885,1182 3.847,1183 7.429,1184 3.852,1185 3.58,1186 3.608,1187 3.491,1188 3.404,1189 6.351,1190 3.412,1191 3.439,1192 3.468,1193 3.371,1194 3.282,1195 4.849,1196 3.297,1197 3.202,1198 3.296,1199 2.991,1200 3.023,1201 4.728,1202 3.001,1203 3.04,1204 3.109,1205 2.912,1206 2.832,1207 4.093,1208 2.841,1209 2.947,1210 3.004,1211 2.766,1212 2.667,1213 3.887,1214 2.686,1215 2.844,1216 2.931,1217 2.624,1218 2.641,1219 3.85,1220 2.629,1221 0.183,1222 0.146,1223 0.27,1224 0.168,1225 0.129,1226 4.58,1227 0.171,1228 3.656,1229 0.094,1230 6.749,1231 0.441,1232 4.211,1233 0.127,1234 3.221,1235 4.275,1236 2.341,1237 11.02,1238 3.187,1239 1.899,1240 1.877,1241 1.998,1242 1.969,1243 1.214,1244 1.98,1245 1.765,1246 1.733,1247 1.933,1248 1.892,1249 1.113,1250 1.904,1251 1.655,1252 1.612,1253 1.799,1254 1.835,1255 0.901,1256 1.825,1257 1.411,1258 1.366,1259 1.669,1260 1.65,1261 0.81,1262 1.646,1263 1.34,1264 1.298,1265 1.544,1266 1.573,1267 0.614,1268 1.556,1269 1.013,1270 0.944,1271 1.254,1272 1.272,1273 0.266,1274 1.29,1275 0.858,1276 0.802,1277 1.162,1278 1.215,1279 0.261,1280 1.197,1281 0.83,1282 0.746,1283 1.09,1284 1.09,1285 0.18,1286 1.103,1287 3.932,1289 5.273,1290 3.045,1291 6.792,1292 5.533,1293 8.395,1294 7.695,1295 10.047,1297 3.876,1302 8.862,1303 0.578,1305 2.85,1314 26.402,1315 62.787,1316 156.831,1317 186.15,1318 204.15,1319 206.15,1320 206.15,1321 43.465,1322 6.984,1323 85.95,1324 85.95,1325 16,1326 12.484,1327 3.907,1328 3.248,1329 36.797,1330 76,1331 77,1332 0.243,1333 163.411,1334 288.33,1335 390.482,1336 9064,1338 16.56,1339 0.72,1340 0.568,1341 16.56,1342 13.065,1343 10.969,1344 0.439,1345 0.3,1346 7.417,1347 10.626,1348 7.167,1349 5.958,1350 10.969,1351 7.494,1352 10.288,1353 0.286,1354 0.159,1355 10.288,1356 5.719,1357 8.4,1358 0.175,1359 0.088,1360 8.4,1361 4.219,1362 7.043,1363 0.11,1364 0.047,1365 7.043,1366 2.993,1367 5.44,1368 0.073,1369 0.025,1370 5.44,1371 1.86,1372 0.374,1373 68.364,1374 0.249,1375 22.357,1376 0.686,1377 122,1378 364.286,1379 132.75,1380 354.134,1381 476.65,1382 328,1383 145,1384 345.81,1385 153.981,1386 351.618,1387 512.41,1388 331,1389 6.2}
{0 CHEMBL2007151,1 1.384,2 13.444,3 5.394,4 29.096,5 146.706,6 6.785,7 0.537,8 4.353,9 4.484,10 3.86,11 3.908,12 5.325,13 3.868,14 4.937,15 5.126,16 4.234,17 4.342,18 5.829,19 4.275,20 5.23,21 5.464,22 4.296,23 4.507,24 6.027,25 4.405,26 5.313,27 5.556,28 4.325,29 4.568,30 6.116,31 4.45,32 5.38,33 5.628,34 4.318,35 4.619,36 6.179,37 4.487,38 5.416,39 5.683,40 4.263,41 4.589,42 6.223,43 4.442,44 5.338,45 5.617,46 4.184,47 4.471,48 6.155,49 4.329,50 5.185,51 5.445,52 4.083,53 4.383,54 5.982,55 4.253,56 0.073,57 1.059,58 16.33,59 6.653,60 12.37,61 9.377,62 0.289,63 1.79,64 30.782,65 11.595,66 27.55,67 16.536,68 0.337,69 2.249,70 42.3,71 15.154,72 32.67,73 22.229,74 0.413,75 2.4,76 46.151,77 17.278,78 40.317,79 24.978,80 0.394,81 2.546,82 49.328,83 18.376,84 43.766,85 26.812,86 0.449,87 2.592,88 51.776,89 18.498,90 52.821,91 27.525,92 0.598,93 2.349,94 48.614,95 16.757,96 59.515,97 25.034,98 0.371,99 2.067,100 41.142,101 14.379,102 39.666,103 21.262,104 5,105 58,106 0.215,107 0.536,108 0.709,109 0.8,110 0.83,111 0.83,112 3.616,113 0.974,114 -6.33,115 -6.16,116 -5.72,119 42.3,120 1,121 6,125 3,127 2,142 9,143 4,144 1,147 1,148 1,152 1,161 1,163 1,164 1,165 1,172 15,174 2,175 14,177 1,178 1,180 1,183 16,185 1,188 11,193 1,196 12,198 1,199 1,200 11,202 2,203 2,205 1,208 16,210 1,212 1,213 10,218 3,221 20,223 3,224 1,225 6,230 3,233 17,235 3,237 3,238 9,240 1,241 1,243 3,246 17,248 3,250 4,258 13,263 1,264 10,266 1,267 1,269 1,272 14,274 1,276 2634,277 25.051,278 25.051,279 25.051,280 25.051,281 25.051,282 22.389,283 27.304,284 14.856,285 25.532,286 20.276,287 20.276,288 20.276,289 20.276,290 20.276,291 16.309,292 30.322,293 7.062,294 21.079,295 4.765,296 2.694,297 1.582,298 0.997,299 0.799,300 0.799,301 4.335,306 1,307 1087,308 2.828,311 175.031,312 421.619,315 146.108,319 2.241,320 20.388,323 0.75,324 0.5,325 0.83,326 0.7,327 0.5,328 0.83,329 1,330 0.73,331 75.5,332 484,333 4.852,334 3.521,335 7.266,336 4.414,337 3.451,338 4.825,339 1.151,340 12.938,341 3.332,342 4.108,343 3.113,344 6.355,345 3.842,346 2.888,347 3.716,348 0.8,349 9.577,350 2.76,351 3.947,352 3.008,353 6.135,354 3.694,355 2.736,356 3.443,358 9.013,359 2.617,360 3.894,361 2.782,362 6.007,363 3.548,364 2.595,365 3.349,367 8.347,368 2.492,369 3.817,370 2.657,371 5.446,372 3.493,373 2.51,374 3.001,376 7.158,377 2.445,378 3.613,379 2.453,380 5.292,381 3.226,382 2.269,383 2.85,385 6.728,386 2.161,387 3.192,388 2.115,389 5.099,390 2.979,391 2.019,392 2.353,394 5.796,395 1.934,396 3.1,397 1.872,398 4.886,399 2.672,400 1.713,401 2.266,403 5.039,404 1.651,405 2.915,406 1.783,407 4.506,408 2.656,409 1.695,410 2.078,412 4.515,413 1.611,414 2.873,415 1.626,416 4.34,417 2.479,418 1.489,419 2.009,421 3.662,422 1.472,423 2.745,424 1.439,425 3.708,426 2.328,427 1.386,428 1.795,430 3.143,431 1.303,432 2.655,433 1.254,434 3.635,435 2.19,436 1.212,437 1.704,439 2.696,440 1.181,441 2.5,442 1.055,443 3.492,444 2,445 1,446 1.5,448 2.365,449 1,450 2.258,451 1,452 3.414,453 2,454 1,455 1.189,457 2.275,458 1,459 2,460 1,461 3.294,462 1.924,463 0.962,464 1,466 2.136,467 0.923,468 17.333,469 0.481,470 0.743,471 0.021,472 44.75,473 1.243,474 21,475 0.583,476 23.75,477 0.66,478 37.39,479 1.039,480 38.467,481 0.542,482 33.371,483 0.927,484 8.181,485 0.227,486 9.506,487 0.264,488 0.052,490 0.335,496 0.946,497 1.326,498 0.87,499 1.1,500 0.968,501 0.995,502 1.112,503 1.089,504 0.956,505 1.012,506 0.694,507 0.977,508 1.197,509 1.066,510 1,511 0.99,512 0.763,513 0.975,514 0.995,515 1.009,516 0.968,517 1.015,518 0.774,519 0.996,520 1.006,521 1.049,522 1.03,523 1.049,524 0.881,525 1.043,526 0.957,527 1.059,528 1.021,529 1.039,530 1.214,531 1.033,532 0.988,533 0.908,534 0.933,535 0.887,536 1.109,537 0.901,538 1.265,539 0.957,540 1.046,541 0.944,542 1.305,543 0.966,544 5,545 0.218,546 3.556,547 2.889,548 2.359,549 1.296,550 0.791,551 0.565,552 0.429,553 0.366,554 20817,555 40923,556 2.203,557 49.3,559 17,561 1,562 2,563 3,564 12,567 1.777,568 2.118,569 3.661,570 0.093,577 98.291,578 1.384,579 3.455,580 4.568,581 5.153,582 5.35,583 5.35,584 3.18,585 4.725,586 5.132,587 3.86,588 2432,589 9.044,590 37959,595 436.632,596 1.194,597 5.125,598 0.122,599 0.005,600 0.061,601 0.048,602 0.039,603 0.022,604 0.014,605 0.011,606 0.009,607 0.008,608 0.34,609 0.17,610 0.63,611 0.375,612 195.33,613 0.008,614 -0.131,615 0.079,616 -0.024,617 0.01,618 0.025,619 0.054,620 0.034,621 0.026,622 0.005,623 0.164,624 0.009,625 -0.087,626 -0.019,627 -0.009,628 -0.003,629 0.068,630 0.003,631 0.046,632 0.003,633 0.016,634 -0.016,635 0.133,636 -0.006,637 -0.045,638 -0.043,639 -0.051,640 -0.052,641 0.042,642 -0.052,643 0.003,644 -0.07,645 -0.034,646 -0.065,647 -0.061,648 -0.053,649 0.144,650 0.064,651 0.073,652 0.069,653 0.075,654 0.065,655 -0.134,656 0.049,657 -0.047,658 0.025,659 -0.187,660 0.004,661 1.127,662 2.646,663 0.889,664 45.046,665 0.987,666 1.126,667 5.097,668 25.98,669 0.661,670 3.738,671 4.078,672 4.419,673 4.754,674 5.004,675 5.142,676 5.347,677 5.537,678 5.677,679 5.817,680 7.724,681 0.616,682 481.7,683 3.738,684 5.293,685 6.172,686 7.071,687 7.969,688 8.88,689 9.79,690 10.71,691 11.628,692 12.553,693 7,696 1,697 1,701 1,703 2,708 2,709 10,710 2,714 6,715 1,716 22,727 1,733 1,735 71,737 22,738 2,739 41,741 76,742 30,743 18,744 3,745 9,748 6,749 7,754 1,757 8,760 8,762 18,763 12,783 35,784 5,785 2,786 6,792 5,797 0.833,798 1,810 1,811 1,812 1,815 2,816 4,819 1,839 1,843 5,847 1,851 36,852 1,858 9,861 1,863 2,864 1,874 1.4,879 1,881 17,882 12.8,883 7.833,884 4.646,886 4.061,887 1.465,888 1.018,889 6.686,890 12.791,891 3.97,892 4.577,893 5.21,894 5.857,895 6.426,896 6.774,897 7.245,898 7.711,899 8.028,900 8.38,901 1,902 60,903 13.361,905 5.749,906 7.417,907 26.659,909 23.052,911 1.917,912 69,916 388.446,917 150.914,918 71.492,920 11,923 150.914,924 399.446,925 71.492,926 8.825,927 24.011,928 118.183,929 47.057,930 42.015,931 5.085,932 376.675,934 388.446,935 222.406,936 11,939 247.193,940 152.253,943 48.193,944 140.641,945 33.571,947 388.446,948 82.492,949 150.914,952 388.446,953 48.184,954 107.753,956 77.468,957 388.446,958 82.492,959 150.914,961 0.58,962 0.35,963 0.202,964 0.109,965 30,966 12,967 0.079,968 6,969 1,970 1.063,971 4.681,972 368.005,973 0.063,974 32,975 174.117,981 23.512,982 10.237,983 4.659,984 1.909,985 80.592,986 20.185,987 9.121,991 5.959,992 2.445,993 32.897,994 621.852,995 52,1007 70.09,1008 79.929,1009 0.225,1010 0.562,1011 0.743,1012 0.838,1013 0.87,1014 0.87,1015 5.223,1016 1.713,1017 6.151,1018 5.796,1019 4.762,1020 5.265,1021 1.528,1022 7.002,1023 4.687,1024 6.414,1025 1.695,1026 7.725,1027 5.039,1028 4.29,1029 5.037,1030 0.325,1031 7.995,1032 4.166,1033 7.722,1034 1.489,1035 9.407,1036 4.515,1037 6.378,1038 7.48,1039 1.603,1040 11.175,1041 6.227,1042 9.07,1043 1.386,1044 11.157,1045 3.662,1046 6.804,1047 8.18,1048 0.268,1049 13.091,1050 6.602,1051 10.46,1052 1.212,1053 12.952,1054 3.143,1055 8.318,1056 10.077,1057 1.778,1058 15.807,1059 8.092,1060 11.879,1061 1,1062 14.781,1063 2.696,1064 9.163,1065 11.235,1066 0.188,1067 18.105,1068 8.891,1069 13.324,1070 1,1071 16.634,1072 2.365,1073 10.463,1074 12.919,1075 1.991,1076 20.692,1077 10.166,1078 3.451,1079 0.962,1080 18.507,1081 2.275,1082 11.509,1083 14.302,1084 0.125,1085 23.146,1086 11.17,1087 2.888,1088 12.938,1089 20.397,1090 2.136,1091 12.737,1092 15.907,1093 2.225,1094 25.703,1095 12.37,1096 2.736,1097 9.577,1098 22.3,1099 4.825,1100 13.877,1101 17.395,1102 0.082,1103 28.219,1104 13.471,1105 2.595,1106 9.013,1107 24.214,1108 3.716,1109 15.089,1110 18.973,1111 2.473,1112 30.772,1113 14.653,1114 2.51,1115 8.347,1116 26.139,1117 3.443,1118 16.273,1119 20.508,1120 0.054,1121 33.313,1122 15.802,1123 2.269,1124 7.158,1125 28.071,1126 3.349,1127 17.487,1128 22.079,1129 2.73,1130 35.868,1131 16.983,1132 2.019,1133 6.728,1134 30.011,1135 3.001,1136 18.694,1137 23.635,1138 0.035,1139 38.419,1140 18.156,1141 18945,1142 26791,1143 28.433,1144 46.904,1145 61.869,1146 62.184,1147 62.959,1148 61.86,1149 61.825,1150 78.49,1151 3.902,1152 180.246,1153 59.512,1154 5.852,1155 5.521,1156 7.068,1157 5.489,1158 5.451,1159 7.825,1160 2.302,1161 20.521,1162 5.332,1163 10.868,1164 1.509,1165 1.517,1166 1.536,1167 1.509,1168 1.508,1169 1.914,1170 0.095,1171 4.396,1172 1.452,1173 4.178,1174 4.217,1175 4.151,1176 4.068,1177 5.232,1178 4.083,1179 3.92,1180 3.975,1181 3.852,1182 3.848,1183 4.885,1184 3.843,1185 3.915,1186 3.948,1187 3.805,1188 3.793,1189 4.783,1190 3.789,1191 3.815,1192 3.849,1193 3.749,1194 3.716,1195 4.708,1196 3.721,1197 3.69,1198 3.755,1199 3.553,1200 3.558,1201 4.433,1202 3.546,1203 3.419,1204 3.495,1205 3.321,1206 3.221,1207 4.353,1208 3.237,1209 3.225,1210 3.27,1211 3.102,1212 3.042,1213 4.244,1214 3.046,1215 3.111,1216 3.206,1217 2.965,1218 2.941,1219 4.061,1220 2.931,1221 0.118,1222 0.086,1223 0.177,1224 0.108,1225 0.084,1226 4.852,1227 0.118,1228 3.521,1229 0.028,1230 7.266,1231 0.316,1232 4.414,1233 0.081,1234 3.451,1235 4.825,1236 1.151,1237 12.938,1238 3.332,1239 1.948,1240 1.93,1241 2.098,1242 2.087,1243 1.505,1244 2.089,1245 1.917,1246 1.868,1247 2.047,1248 2.037,1249 1.211,1250 2.038,1251 1.894,1252 1.862,1253 2.005,1254 1.978,1255 1.172,1256 1.988,1257 1.735,1258 1.692,1259 1.86,1260 1.908,1261 1.124,1262 1.894,1263 1.577,1264 1.507,1265 1.813,1266 1.751,1267 1.046,1268 1.793,1269 1.557,1270 1.502,1271 1.749,1272 1.746,1273 0.866,1274 1.747,1275 1.368,1276 1.289,1277 1.643,1278 1.592,1279 0.852,1280 1.616,1281 1.186,1282 1.137,1283 1.513,1284 1.414,1285 0.825,1286 1.429,1287 4.419,1289 5.753,1290 3.045,1291 7.288,1292 5.416,1293 8.917,1294 7.573,1295 10.598,1297 2.209,1301 6.481,1303 10.658,1306 6.146,1308 1.176,1309 2.712,1314 43.724,1315 98.291,1316 245.332,1317 324.328,1318 365.877,1319 379.877,1320 379.877,1321 49.779,1322 8.73,1323 69.2,1324 69.2,1325 34,1326 13.06,1327 4.524,1328 3.585,1329 48.928,1330 160,1331 192,1332 0.144,1333 262.874,1334 447.19,1335 633.173,1336 86236,1338 24.485,1339 0.68,1340 0.585,1341 24.485,1342 21.067,1343 17.687,1344 0.431,1345 0.325,1346 13.181,1347 17.194,1348 12.881,1349 10.63,1350 17.687,1351 13.31,1352 15.757,1353 0.272,1354 0.178,1355 15.757,1356 10.295,1357 14.004,1358 0.171,1359 0.099,1360 14.004,1361 8.117,1362 12.437,1363 0.108,1364 0.055,1365 12.437,1366 6.343,1367 10.09,1368 0.068,1369 0.03,1370 10.09,1371 4.427,1372 0.226,1373 109.3,1374 0.188,1375 32.911,1376 0.398,1377 198,1378 445.628,1379 211.673,1380 439.926,1381 629.68,1382 418,1383 239,1384 487.567,1385 253.812,1386 496.237,1387 735.06,1388 470,1389 5.3}
{0 CHEMBL2007296,1 1.396,2 12.889,3 4.223,4 17.834,5 107.281,6 7.068,7 0.621,8 3.996,9 4.113,10 3.517,11 3.58,12 5.088,13 3.539,14 4.503,15 4.673,16 3.817,17 3.93,18 5.553,19 3.866,20 4.75,21 4.959,22 3.869,23 4.049,24 5.752,25 3.961,26 4.769,27 4.98,28 3.797,29 4.022,30 5.809,31 3.92,32 4.777,33 5.006,34 3.742,35 4.004,36 5.792,37 3.886,38 4.719,39 4.954,40 3.624,41 3.936,42 5.674,43 3.805,44 4.64,45 4.893,46 3.563,47 3.825,48 5.637,49 3.693,50 4.546,51 4.799,52 3.45,53 3.707,54 5.52,55 3.583,56 0.033,57 0.676,58 10.659,59 4.848,60 8.502,61 6.409,62 0.171,63 1.078,64 19.131,65 7.859,66 22.558,67 10.584,68 0.22,69 1.322,70 25.735,71 9.996,72 35.305,73 13.539,74 0.243,75 1.326,76 26.461,77 10.178,78 43.442,79 13.69,80 0.299,81 1.322,82 27.069,83 10.432,84 48.43,85 14.231,86 0.223,87 1.249,88 25.501,89 9.951,90 37.011,91 13.649,92 0.269,93 1.157,94 23.782,95 9.129,96 42.218,97 12.878,98 0.183,99 1.046,100 21.768,101 8.13,102 36.064,103 11.334,104 13,105 38,106 0.234,107 0.545,108 0.724,109 0.839,110 0.852,111 0.852,112 3.339,113 0.953,114 -4.45,115 -4.38,116 -4.12,119 45.1,120 2,121 1,125 1,127 1,142 10,143 4,144 1,145 2,158 1,172 14,175 6,178 1,180 3,183 16,188 6,193 4,196 13,200 6,205 3,208 10,213 6,216 1,218 2,221 13,225 4,230 1,233 12,237 1,238 5,243 3,246 11,250 2,255 1,258 9,263 1,264 3,267 1,272 10,276 1182,277 18.491,278 18.491,279 18.491,280 18.491,281 18.491,282 16.288,283 14.099,284 11.341,285 18.739,286 14.292,287 14.292,288 14.292,289 14.292,290 14.292,291 10.993,292 19.218,293 5.35,294 14.661,295 4.276,296 2.413,297 1.348,298 0.657,299 0.579,300 0.579,301 4.024,305 1,306 1,307 738,308 3.536,312 304.047,319 2.041,320 18.817,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 57,332 348,333 4.29,334 3.586,335 6.186,336 3.939,337 2.945,338 3.927,339 1.081,340 9.159,341 2.93,342 4.165,343 3.093,344 6.112,345 3.834,346 2.846,347 3.725,348 0.86,349 8.932,350 2.808,351 4.016,352 2.844,353 5.925,354 3.652,355 2.653,356 3.505,357 0.473,358 8.292,359 2.648,360 3.558,361 2.738,362 5.275,363 3.254,364 2.312,365 2.834,367 6.684,368 2.169,369 3.373,370 2.125,371 4.558,372 2.88,373 1.9,374 2.712,376 4.791,377 1.859,378 2.943,379 1.791,380 4.293,381 2.543,382 1.588,383 2.071,385 4.027,386 1.508,387 2.757,388 1.714,389 3.787,390 2.381,391 1.406,392 1.844,394 2.996,395 1.361,396 2.557,397 1.42,398 3.501,399 2.22,400 1.237,401 1.569,403 2.648,404 1.212,405 2.5,406 1.134,407 3.449,408 2.066,409 1.091,410 1.5,412 2.439,413 1.06,414 2.5,415 1.12,416 3.414,417 2,418 1,419 1.5,421 2.275,422 1,423 2.433,424 1,425 3.377,426 1.984,427 1,428 1.428,430 2.208,431 0.983,432 2.295,433 1,434 3.247,435 1.891,436 0.881,437 1.185,439 2.136,440 0.884,441 1.381,442 0.552,443 2.624,444 1.189,445 0.272,446 0.294,448 0.439,449 0.247,450 1.044,451 0.285,452 2.475,453 0.657,454 -0.325,455 -0.398,457 -0.783,458 -0.318,459 0.842,460 -0.278,461 2.31,462 0.492,463 -0.532,464 -0.692,466 -1.161,467 -0.53,468 12.967,469 0.48,470 0.503,471 0.019,472 36.25,473 1.343,474 20,475 0.741,476 16.25,477 0.602,478 20.312,479 0.752,480 28.433,481 0.558,482 26.206,483 0.971,484 7.184,485 0.266,486 5.985,487 0.222,488 0.103,490 0.27,496 0.755,497 1.175,498 0.838,499 1.058,500 0.64,501 0.97,502 0.944,503 1.079,504 0.933,505 1.017,506 0.658,507 0.979,508 1.208,509 0.997,510 0.979,511 0.965,512 0.937,513 0.947,514 1.358,515 1.087,516 1.104,517 1.07,518 1.38,519 1.063,520 1.174,521 0.992,522 1.046,523 1,524 1.469,525 1.012,526 1.122,527 1.042,528 1.072,529 1.051,530 1.134,531 1.059,532 0.709,533 1.002,534 0.901,535 0.995,536 0.898,537 0.97,538 1.078,539 1.012,540 0.955,541 0.985,542 1.318,543 0.959,544 4.5,545 0.083,546 2.889,547 1.313,548 0.996,549 0.924,550 0.547,551 0.318,552 0.209,553 0.174,554 9579,555 23159,556 2.057,557 47.1,558 3,559 13,561 2,562 1,564 5,567 1.696,568 1.952,569 3.65,570 -0.419,572 1,577 71.213,578 1.396,579 3.26,580 4.325,581 5.015,582 5.094,583 5.094,584 3.134,585 4.385,586 4.723,587 3.792,588 1331.12,589 8.177,590 17857.5,592 1,594 1,595 289.294,596 1.277,597 4.698,598 0.155,599 0.004,600 0.076,601 0.034,602 0.028,603 0.028,604 0.019,605 0.012,606 0.009,607 0.008,608 0.373,609 0.33,610 1,611 1.057,612 136.738,613 -0.007,614 -0.064,615 0.043,616 -0.021,617 -0.049,618 0.011,619 0.037,620 -0.017,621 0.005,622 -0.016,623 0.056,624 -0.011,625 -0.09,626 0.011,627 -0.001,628 0.018,629 -0.011,630 0.02,631 -0.13,632 -0.096,633 -0.116,634 -0.091,635 -0.09,636 -0.101,637 -0.037,638 -0.021,639 -0.055,640 -0.019,641 -0.085,642 -0.039,643 -0.094,644 -0.078,645 -0.09,646 -0.067,647 -0.074,648 -0.077,649 0.186,650 -0.038,651 0.083,652 -0.018,653 0.18,654 0.018,655 -0.027,656 -0.046,657 0.045,658 -0.019,659 -0.006,660 0.017,661 1.761,662 5.581,663 0.667,664 29.235,665 0.992,666 1.117,667 3.216,668 10.342,669 0.672,670 3.401,671 3.664,672 3.892,673 4.078,674 4.277,675 4.248,676 4.357,677 4.331,678 4.382,679 4.382,680 7.306,681 0.633,682 360.49,683 3.401,684 4.905,685 5.727,686 6.569,687 7.408,688 8.256,689 9.101,690 9.951,691 10.799,692 11.651,693 3.9,700 1,703 1,709 12,710 1,714 5,716 18,723 1,733 1,735 51,737 19,738 2,739 29,741 53,742 23,743 17,744 4,745 8,746 1,748 3,749 3,754 2,760 2,762 18,763 5,767 1,772 1,776 1,780 1,783 24,784 4,785 1,786 4,792 2,797 1,798 2,809 1,816 3,843 3,847 2,851 27,858 2,860 1,861 1,863 1,874 3.9,877 1,879 1,881 13.833,882 9.617,883 6.167,884 3.237,886 3.105,887 1.439,888 0.963,889 6.481,890 10.183,891 3.689,892 4.227,893 4.773,894 5.289,895 5.813,896 5.914,897 6.304,898 6.481,899 6.778,900 7.026,901 0.889,902 39,903 9.968,905 4.086,906 7.66,907 19.168,909 15.202,911 2.16,912 58.333,914 1,915 1,916 270.735,917 160.325,918 34.796,920 36.145,923 160.325,924 306.88,925 34.796,926 17.65,927 25.138,928 94.762,929 70.177,930 47.08,932 247.193,934 270.735,935 195.121,936 36.145,939 211.88,940 95,943 60.883,944 117.453,945 16.786,947 270.735,948 70.941,949 160.325,952 270.735,953 29.817,954 130.508,955 18.011,956 52.93,957 270.735,958 70.941,959 160.325,961 0.562,962 0.325,963 0.171,964 0.095,965 16,966 7,967 0.132,968 7,970 1,971 3.998,972 214.032,974 18,975 120.382,981 18.97,982 9.224,983 5.101,985 70.941,986 22.877,987 4.028,991 4.623,993 18.011,994 502.001,995 39,1000 12.581,1004 -0.094,1007 50.578,1008 56.983,1009 0.246,1010 0.575,1011 0.762,1012 0.884,1013 0.898,1014 0.898,1015 4.879,1016 1.237,1017 5.673,1018 2.996,1019 4.344,1020 4.913,1021 1.661,1022 6.415,1023 4.302,1024 6.052,1025 1.091,1026 7.189,1027 2.648,1028 3.761,1029 4.46,1031 7.182,1032 3.73,1033 7.323,1034 1,1035 8.807,1036 2.439,1037 5.866,1038 7.021,1039 1.594,1040 10.246,1041 5.797,1042 8.63,1043 1,1044 10.487,1045 2.275,1046 6.133,1047 7.389,1049 11.841,1050 6.082,1051 9.97,1052 0.881,1053 12.205,1054 2.208,1055 7.663,1056 9.394,1057 1.614,1058 14.378,1059 7.581,1060 11.332,1061 0.272,1062 13.949,1063 2.136,1064 8.33,1065 10.164,1067 16.302,1068 8.263,1069 12.711,1070 -0.325,1071 15.71,1072 0.439,1073 9.603,1074 11.894,1075 1.674,1076 18.639,1077 9.514,1078 2.945,1079 -0.532,1080 17.483,1081 -0.783,1082 10.466,1083 12.889,1085 20.707,1086 10.386,1087 2.846,1088 9.159,1089 19.264,1090 -1.161,1091 11.62,1092 14.465,1093 1.758,1094 22.962,1095 11.525,1096 2.653,1097 8.932,1098 21.052,1099 3.927,1100 12.581,1101 15.593,1103 25.096,1104 12.488,1105 2.312,1106 8.292,1107 22.843,1108 3.725,1109 13.681,1110 17.078,1111 1.859,1112 27.317,1113 13.578,1114 1.9,1115 6.684,1116 24.639,1117 3.505,1118 14.69,1119 18.289,1121 29.482,1122 14.586,1123 1.588,1124 4.791,1125 26.437,1126 2.834,1127 15.766,1128 19.72,1129 1.973,1130 31.688,1131 15.654,1132 1.406,1133 4.027,1134 28.237,1135 2.712,1136 16.8,1137 20.983,1139 33.869,1140 16.684,1141 9312,1142 14612,1143 19.474,1144 34.296,1145 42.571,1146 43.395,1147 43.36,1148 42.201,1149 42.261,1150 56.19,1151 4.827,1152 114.051,1153 41.34,1154 5.168,1155 5.586,1156 6.049,1157 4.975,1158 4.945,1159 6.927,1160 2.162,1161 15.642,1162 4.93,1163 11.672,1164 1.468,1165 1.496,1166 1.495,1167 1.455,1168 1.457,1169 1.938,1170 0.166,1171 3.933,1172 1.426,1173 4.017,1174 4.044,1175 3.965,1176 3.951,1177 7.429,1178 3.951,1179 3.927,1180 3.953,1181 3.867,1182 3.858,1183 4.93,1184 3.856,1185 3.747,1186 3.785,1187 3.688,1188 3.639,1189 4.846,1190 3.645,1191 3.595,1192 3.663,1193 3.433,1194 3.426,1195 4.646,1196 3.412,1197 3.467,1198 3.534,1199 3.335,1200 3.296,1201 4.383,1202 3.296,1203 3.155,1204 3.193,1205 3.052,1206 2.969,1207 4.124,1208 2.987,1209 2.996,1210 3.063,1211 2.819,1212 2.777,1213 3.915,1214 2.779,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.798,1220 2.715,1221 0.148,1222 0.124,1223 0.213,1224 0.136,1225 0.102,1226 4.29,1227 0.135,1228 3.586,1229 0.037,1230 6.186,1231 0.316,1232 3.939,1233 0.101,1234 2.945,1235 3.927,1236 1.081,1237 9.159,1238 2.93,1239 1.979,1240 1.957,1241 2.071,1242 2.064,1243 1.209,1244 2.067,1245 1.916,1246 1.892,1247 2.032,1248 2.013,1249 1.163,1250 2.02,1251 1.718,1252 1.683,1253 1.896,1254 1.858,1255 1.123,1256 1.858,1257 1.598,1258 1.53,1259 1.837,1260 1.798,1261 0.87,1262 1.828,1263 1.448,1264 1.381,1265 1.709,1266 1.652,1267 0.815,1268 1.672,1269 1.079,1270 1.046,1271 1.342,1272 1.332,1273 0.462,1274 1.315,1275 0.964,1276 0.897,1277 1.26,1278 1.26,1279 0.281,1280 1.288,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.078,1289 5.352,1291 6.828,1293 8.388,1295 9.991,1297 4.05,1303 1.653,1305 3.051,1306 5.674,1308 -0.109,1314 32.267,1315 71.213,1316 166.246,1317 220.565,1318 255.784,1319 259.784,1320 259.784,1321 45.713,1322 7.078,1323 51.22,1324 51.22,1325 18,1326 12.208,1327 4.322,1328 3.459,1329 47.259,1330 118,1331 125,1332 0.193,1333 201.521,1334 349.86,1335 483.472,1336 11527,1338 19.062,1339 0.706,1340 0.581,1341 19.062,1342 15.683,1343 13.169,1344 0.454,1345 0.318,1346 9.129,1347 12.821,1348 8.85,1349 7.437,1350 13.169,1351 9.212,1352 11.198,1353 0.295,1354 0.169,1355 11.198,1356 6.429,1357 9.275,1358 0.193,1359 0.09,1360 9.275,1361 4.339,1362 7.367,1363 0.127,1364 0.049,1365 7.367,1366 2.815,1367 5.856,1368 0.082,1369 0.027,1370 5.856,1371 1.885,1372 0.311,1373 81.408,1374 0.227,1375 26.526,1376 0.506,1377 134,1378 365.449,1379 143.199,1380 357.161,1381 490.45,1382 336,1383 153,1384 358.175,1385 161.646,1386 365.423,1387 527.9,1388 345,1389 5.1}
{0 CHEMBL2007372,1 1.64,2 10.806,3 3.646,4 13.294,5 119.22,6 7.664,7 0.647,8 4.117,9 4.249,10 3.701,11 3.605,12 5.281,13 3.607,14 4.631,15 4.82,16 4.079,17 3.994,18 5.759,19 3.982,20 4.864,21 5.064,22 4.167,23 4.147,24 5.994,25 4.106,26 5.043,27 5.308,28 4.119,29 4.143,30 6.087,31 4.093,32 4.862,33 5.086,34 4.144,35 4.151,36 5.901,37 4.109,38 4.896,39 5.105,40 4.198,41 4.187,42 6.083,43 4.146,44 4.908,45 5.12,46 4.103,47 4.17,48 6.002,49 4.104,50 4.932,51 5.18,52 3.938,53 4.06,54 6.012,55 3.962,56 0.084,57 0.944,58 10.867,59 4.402,60 12.655,61 5.916,62 0.338,63 1.47,64 20.643,65 7.307,66 36.624,67 10.053,68 0.372,69 1.772,70 26.583,71 9.566,72 43.476,73 13.188,74 0.778,75 1.796,76 37.129,77 9.635,78 88.282,79 14.641,80 0.391,81 1.692,82 27.419,83 8.76,84 35.136,85 13.03,86 0.584,87 1.815,88 27.663,89 8.7,90 57.946,91 12.759,92 0.359,93 1.806,94 28.077,95 9.686,96 35.499,97 13.986,98 0.518,99 1.719,100 31.116,101 10.145,102 57.235,103 14.68,104 33,105 49,106 0.268,107 0.644,108 0.81,109 0.844,110 0.844,111 0.844,112 3.473,113 0.874,114 -4.24,115 -4.18,116 -3.95,119 40,120 2,123 1,124 1,125 2,142 5,143 1,144 1,145 2,146 2,147 1,150 1,151 1,152 1,161 1,172 6,174 2,175 3,178 3,180 2,183 5,187 3,188 4,191 2,193 4,196 2,199 1,200 8,204 1,205 1,208 1,212 1,213 9,216 1,218 1,221 2,224 2,225 6,228 4,230 4,233 3,238 5,243 4,246 2,249 1,250 5,253 2,254 1,255 3,258 1,264 2,267 1,272 4,276 1781,277 20.894,278 20.894,279 20.894,280 20.894,281 20.894,282 18.371,283 16.936,284 11.986,285 21.439,286 16.624,287 16.624,288 16.624,289 16.624,290 16.624,291 12.753,292 24.867,293 5.513,294 17.547,295 4.142,296 1.849,297 0.834,298 0.623,299 0.623,300 0.623,301 4.166,305 1,306 1,307 713,308 3.808,311 63.686,312 257.971,315 124.384,319 1.567,320 32.758,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 68,332 335,333 4.767,334 3.364,335 7.065,336 4.301,337 3.353,338 4.724,339 0.4,340 12.227,341 3.182,342 4.195,343 3.228,344 6.69,345 4.169,346 3.179,347 3.791,348 0.4,349 10.767,350 3.149,351 4.143,352 2.921,353 6.258,354 3.707,355 2.755,356 3.667,358 9.292,359 2.625,360 4.044,361 2.798,362 5.881,363 3.609,364 2.656,365 3.233,367 8.202,368 2.525,369 3.742,370 2.616,371 5.408,372 3.295,373 2.367,374 3.149,376 6.974,377 2.185,378 3.489,379 2.321,380 5.049,381 3.072,382 2.138,383 2.833,385 6.012,386 1.982,387 3.211,388 1.951,389 5.007,390 2.773,391 1.845,392 2.461,394 5.582,395 1.709,396 3.016,397 1.558,398 4.419,399 2.467,400 1.526,401 2.266,403 4.036,404 1.431,405 2.739,406 1.373,407 4.265,408 2.243,409 1.297,410 1.844,412 3.493,413 1.223,414 2.606,415 1.193,416 3.644,417 2.068,418 1.128,419 1.656,421 2.668,422 1.056,423 2.5,424 1.142,425 3.55,426 2,427 1,428 1.5,430 2.275,431 1,432 2.261,433 1.006,434 3.459,435 1.796,436 0.882,437 1.175,439 2.143,440 0.805,441 1.825,442 1,443 3.414,444 1.632,445 0.719,446 0.777,448 1.613,449 0.653,450 1.584,451 0.768,452 2.925,453 1.258,454 0.345,455 0.411,457 0.583,458 0.311,459 1.37,460 0.488,461 2.853,462 1.213,463 0.332,464 0.348,466 0.477,467 0.293,468 14.419,469 0.465,470 0.844,471 0.027,472 42.25,473 1.363,474 21,475 0.677,476 21.25,477 0.685,478 26.34,479 0.85,480 33.581,481 0.611,482 34.12,483 1.101,484 8.291,485 0.267,486 6.623,487 0.214,488 0.147,489 0.035,490 0.305,494 1,496 0.828,497 1.353,498 0.768,499 1.122,500 0.736,501 0.965,502 0.799,503 0.977,504 0.754,505 0.867,506 0.685,507 0.811,508 0.848,509 1.206,510 0.947,511 1.201,512 0.816,513 1.116,514 1.193,515 0.797,516 0.922,517 0.626,518 1.059,519 0.693,520 0.727,521 0.932,522 0.832,523 0.867,524 0.484,525 0.854,526 0.741,527 0.907,528 0.995,529 0.954,530 0.558,531 0.997,532 0.784,533 1.187,534 1.04,535 1.233,536 0.683,537 1.19,538 0.815,539 1.049,540 1.075,541 1.192,542 0.786,543 1.188,544 7,545 0.247,546 3.778,547 2.104,548 2.118,549 1.289,550 0.74,551 0.663,552 0.487,553 0.411,554 11525,555 32931,556 2.057,557 43.6,558 6,559 12,560 1,561 2,562 3,567 1.744,568 1.908,569 3.355,570 0.908,572 1,577 90.177,578 1.64,579 3.932,580 4.947,581 5.158,582 5.158,583 5.158,584 2.854,585 4.607,586 4.92,587 3.543,588 1647.61,589 8.641,590 22829.4,592 1,595 317.975,596 1.595,597 4.87,598 0.206,599 0.01,600 0.077,601 0.041,602 0.043,603 0.025,604 0.014,605 0.014,606 0.013,607 0.013,608 0.456,609 0.17,610 1,611 1.319,612 158.562,613 -0.092,614 -0.236,615 0.035,616 -0.065,617 -0.1,618 -0.003,619 0.028,620 0.068,621 0.132,622 0.129,623 0.023,624 0.143,625 0.02,626 -0.145,627 -0.041,628 -0.192,629 0.006,630 -0.146,631 -0.157,632 0.078,633 0.097,634 0.283,635 -0.121,636 0.253,637 -0.053,638 -0.001,639 0.073,640 0.101,641 -0.008,642 0.114,643 0.048,644 0.108,645 -0.096,646 -0.007,647 0.053,648 -0.067,649 -0.036,650 -0.188,651 -0.14,652 -0.231,653 -0.03,654 -0.21,655 0.047,656 -0.098,657 -0.109,658 -0.217,659 0.023,660 -0.203,661 1.98,662 5.52,663 0.677,664 31.27,665 1.009,666 1.141,667 3.014,668 9.083,669 0.66,670 3.555,671 3.912,672 4.19,673 4.477,674 4.787,675 4.956,676 5.153,677 5.333,678 5.438,679 5.476,680 6.454,681 0.636,682 421.53,683 3.555,684 5.118,685 5.979,686 6.88,687 7.769,688 8.68,689 9.582,690 10.5,691 11.411,692 12.334,693 12.7,698 2,701 1,703 4,708 1,709 8,710 4,714 7,716 22,728 2,734 1,735 55,737 22,738 1,739 34,741 58,742 22,743 16,744 2,745 4,748 4,749 5,754 3,755 1,762 16,763 6,780 1,781 1,783 24,784 8,785 3,786 9,789 1,792 7,797 0.75,798 1,799 1,806 1,810 1,815 1,816 3,819 1,841 1,843 3,847 3,849 1,851 31,857 1,858 2,860 2,865 1,873 1,874 1.8,875 1,881 16.25,882 10.76,883 6.833,884 3.097,886 4.222,887 1.533,888 0.962,889 5.857,890 12.144,891 3.829,892 4.48,893 5.12,894 5.786,895 6.425,896 6.873,897 7.403,898 7.925,899 8.319,900 8.672,901 1,902 51,903 11.431,905 4.864,906 7.841,907 21.546,909 17.51,911 2.341,912 72.583,914 1,915 1,916 247.193,917 129.195,918 104.45,920 42.683,921 14.96,923 129.195,924 289.876,925 119.41,926 26.047,927 2.106,928 99.112,929 128.421,930 37.201,931 33.715,932 211.88,934 247.193,935 233.645,936 57.643,939 262.153,941 42.683,943 48.265,944 82.216,945 103.164,947 262.153,948 147.133,949 129.195,952 247.193,953 28.625,954 101.857,955 36.022,956 124.786,957 247.193,958 162.094,959 129.195,961 0.586,962 0.342,963 0.176,964 0.106,965 24,966 11,967 0.121,968 7,969 1,970 1.095,971 4.041,972 292.076,973 0.095,974 21,975 147.58,981 21.165,982 8.578,983 4.361,984 0.633,985 160.807,986 13.171,987 18.12,991 3.566,993 78.705,994 538.482,995 45,1007 55.505,1008 62.774,1009 0.284,1010 0.68,1011 0.856,1012 0.892,1013 0.892,1014 0.892,1015 5.078,1016 1.526,1017 6.004,1018 5.582,1019 4.595,1020 5.168,1021 0.495,1022 6.874,1023 4.492,1024 6.319,1025 1.297,1026 7.604,1027 4.036,1028 4.369,1029 5.075,1031 8.063,1032 4.247,1033 7.657,1034 1.128,1035 9.311,1036 3.493,1037 6.29,1038 7.449,1039 0.097,1040 11.094,1041 6.107,1042 9.033,1043 1,1044 11.08,1045 2.668,1046 6.868,1047 8.178,1049 13.071,1050 6.67,1051 10.44,1052 0.882,1053 12.89,1054 2.275,1055 8.298,1056 10.049,1057 0.016,1058 15.699,1059 8.052,1060 11.869,1061 0.719,1062 14.727,1063 2.143,1064 9.216,1065 11.181,1067 17.972,1068 8.949,1069 13.316,1070 0.345,1071 16.583,1072 1.613,1073 10.475,1074 12.848,1075 0.003,1076 20.486,1077 10.168,1078 3.353,1079 0.332,1080 18.454,1081 0.583,1082 11.54,1083 14.191,1085 22.878,1086 11.207,1087 3.179,1088 12.227,1089 20.337,1090 0.477,1091 12.742,1092 15.774,1094 25.361,1095 12.372,1096 2.755,1097 10.767,1098 22.228,1099 4.724,1100 13.872,1101 17.223,1103 27.804,1104 13.471,1105 2.656,1106 9.292,1107 24.127,1108 3.791,1109 15.057,1110 18.777,1112 30.282,1113 14.619,1114 2.367,1115 8.202,1116 26.032,1117 3.667,1118 16.218,1119 20.277,1121 32.748,1122 15.744,1123 2.138,1124 6.974,1125 27.943,1126 3.233,1127 17.401,1128 21.823,1130 35.23,1131 16.89,1132 1.845,1133 6.012,1134 29.857,1135 3.149,1136 18.576,1137 23.348,1139 37.708,1140 18.027,1141 11264,1142 19197,1143 22.364,1144 36.284,1145 51.279,1146 52.381,1147 53.362,1148 50.971,1149 51.045,1150 67.669,1151 1.6,1152 152.689,1153 48.257,1154 5.63,1155 5.364,1156 6.652,1157 5.375,1158 5.353,1159 7.724,1160 0.8,1161 19.748,1162 5.182,1163 16.835,1164 1.508,1165 1.541,1166 1.569,1167 1.499,1168 1.501,1169 1.99,1170 0.047,1171 4.491,1172 1.419,1173 4.159,1174 4.206,1175 4.142,1176 4.01,1177 8.201,1178 4.036,1179 3.855,1180 3.902,1181 3.806,1182 3.759,1183 6.456,1184 3.767,1185 3.84,1186 3.886,1187 3.776,1188 3.676,1189 5.131,1190 3.685,1191 3.716,1192 3.771,1193 3.612,1194 3.568,1195 4.945,1196 3.579,1197 3.384,1198 3.481,1199 3.29,1200 3.15,1201 4.649,1202 3.174,1203 3.229,1204 3.299,1205 3.101,1206 3.038,1207 4.383,1208 3.039,1209 3.117,1210 3.206,1211 2.967,1212 2.867,1213 4.261,1214 2.879,1215 2.981,1216 3.063,1217 2.768,1218 2.735,1219 4.179,1220 2.715,1221 0.14,1222 0.099,1223 0.208,1224 0.126,1225 0.099,1226 4.767,1227 0.139,1228 3.364,1229 0.012,1230 7.065,1231 0.36,1232 4.301,1233 0.094,1234 3.353,1235 4.724,1236 0.4,1237 12.227,1238 3.182,1239 1.926,1240 1.898,1241 2.012,1242 2.085,1243 1.286,1244 2.054,1245 1.858,1246 1.813,1247 1.994,1248 1.998,1249 1.117,1250 1.988,1251 1.787,1252 1.733,1253 1.928,1254 1.967,1255 1.001,1256 1.975,1257 1.688,1258 1.64,1259 1.798,1260 1.862,1261 0.801,1262 1.854,1263 1.335,1264 1.268,1265 1.627,1266 1.608,1267 0.648,1268 1.619,1269 1.21,1270 1.129,1271 1.417,1272 1.434,1273 0.546,1274 1.426,1275 1.067,1276 0.976,1277 1.414,1278 1.343,1279 0.469,1280 1.338,1281 0.934,1282 0.836,1283 1.333,1284 1.299,1285 0.425,1286 1.315,1287 4.234,1289 5.58,1290 2.398,1291 7.122,1292 4.844,1293 8.749,1294 7.081,1295 10.422,1297 5.685,1299 13.52,1302 9.496,1303 0.556,1305 6.243,1310 -0.31,1314 34.989,1315 90.177,1316 216.259,1317 272.1,1318 283.71,1319 283.71,1320 283.71,1321 57.42,1322 7.923,1323 100.26,1324 100.26,1325 23,1326 12.843,1327 4.524,1328 3.585,1329 49.036,1330 113,1331 140,1332 0.205,1333 215.709,1334 361.58,1335 518.09,1336 29297,1337 1.8,1338 22.01,1339 0.71,1340 0.568,1341 21.14,1342 17.594,1343 14.914,1344 0.439,1345 0.291,1346 9.728,1347 14.229,1348 9.411,1349 7.885,1350 14.52,1351 9.906,1352 13.773,1353 0.281,1354 0.163,1355 13.151,1356 7.977,1357 11.545,1358 0.178,1359 0.076,1360 11.135,1361 4.948,1362 9.17,1363 0.105,1364 0.036,1365 9.019,1366 3.157,1367 8,1368 0.067,1369 0.019,1370 7.771,1371 2.221,1372 0.314,1373 94.332,1374 0.211,1375 28.592,1376 0.588,1377 166,1378 527.152,1379 184.953,1380 488.599,1381 670.46,1382 458,1383 197,1384 499.384,1385 217.252,1386 502.305,1387 739.68,1388 471,1389 5.1}
{0 CHEMBL2007592,1 1.675,2 8.391,3 4.037,4 16.3,5 88.206,6 8.714,7 0.593,8 3.768,9 3.871,10 3.538,11 3.424,12 4.849,13 3.388,14 4.315,15 4.455,16 3.99,17 3.87,18 5.401,19 3.806,20 4.542,21 4.732,22 4.011,23 3.958,24 5.584,25 3.861,26 4.494,27 4.682,28 3.996,29 3.84,30 5.591,31 3.766,32 4.307,33 4.502,34 3.744,35 3.636,36 5.366,37 3.593,38 4.245,39 4.445,40 3.566,41 3.56,42 5.332,43 3.518,44 4.216,45 4.402,46 3.457,47 3.503,48 5.406,49 3.422,50 3.971,51 4.144,52 3.145,53 3.342,54 5.064,55 3.192,56 0.049,57 0.589,58 6.052,59 3.23,60 3.932,61 3.713,62 0.218,63 1.02,64 12.852,65 5.988,66 14.521,67 7.272,68 0.216,69 1.225,70 22.435,71 8.859,72 25.394,73 10.323,74 0.265,75 1.223,76 23.364,77 7.883,78 24.323,79 8.767,80 0.219,81 1.028,82 16.466,83 5.304,84 15.966,85 5.759,86 0.217,87 0.917,88 12.906,89 4.586,90 20.054,91 5.225,92 0.27,93 0.813,94 13.864,95 5.273,96 38.324,97 5.496,98 0.194,99 0.627,100 12.84,101 5.088,102 30.331,103 5.237,104 2,105 40,106 0.297,107 0.668,108 0.749,109 0.814,110 0.846,111 0.846,112 3.191,113 0.957,114 -5.3,115 -5.18,116 -4.85,119 45.9,121 4,142 5,143 3,149 1,152 1,153 1,159 1,161 1,166 1,172 11,174 3,175 4,178 2,180 2,183 14,187 1,188 8,191 1,193 1,196 9,199 1,200 13,203 1,205 2,208 3,213 12,218 3,221 3,225 9,230 2,233 6,238 5,243 2,246 9,250 1,255 1,258 10,272 8,276 632,277 16.085,278 16.085,279 16.085,280 16.085,281 16.085,282 14.151,283 15.889,284 9.406,285 16.439,286 13.392,287 13.392,288 13.392,289 13.392,290 13.392,291 10.275,292 20.315,293 4.519,294 14.011,295 3.535,296 1.438,297 0.983,298 0.615,299 0.432,300 0.432,301 3.909,304 1,305 1,306 1,307 444,308 2.121,311 57.413,312 128.377,315 162.162,318 69.921,319 1.278,320 17.917,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 49,332 193,333 4.727,334 3.74,335 7.067,336 4.329,337 3.381,338 4.474,339 1.629,340 12.229,341 3.205,342 4.314,343 3.3,344 6.404,345 3.895,346 2.943,347 3.979,348 0.142,349 9.872,350 2.808,351 3.98,352 2.901,353 6.034,354 3.606,355 2.632,356 3.481,358 8.611,359 2.555,360 3.48,361 2.501,362 5.55,363 3.072,364 2.117,365 2.768,367 6.848,368 2.031,369 3.378,370 2.265,371 5.315,372 3.036,373 2.089,374 2.599,376 6.514,377 1.945,378 3.148,379 1.931,380 4.631,381 2.688,382 1.741,383 2.382,385 4.647,386 1.634,387 2.795,388 1.67,389 4.358,390 2.427,391 1.474,392 1.876,394 3.949,395 1.385,396 2.5,397 1.407,398 3.775,399 2.329,400 1.341,401 1.5,403 2.96,404 1.319,405 2.476,406 1.24,407 3.615,408 2.012,409 1.044,410 1.468,412 2.62,413 1.007,414 2.435,415 1.033,416 3.5,417 2,418 1,419 1.425,421 2.178,422 1,423 2.268,424 1,425 3.369,426 1.73,427 0.763,428 1.104,430 2.136,431 0.727,432 1.69,433 0.51,434 3.247,435 1.372,436 0.447,437 0.547,439 1.208,440 0.406,441 1.107,442 0.41,443 2.758,444 0.71,445 -0.248,446 -0.307,448 -0.667,449 -0.232,450 0.754,451 -0.434,452 2.526,453 0.325,454 -0.665,455 -0.831,457 -1.54,458 -0.65,459 0.5,460 -0.612,461 2.4,462 0.171,463 -0.756,464 -0.908,466 -2.062,467 -0.686,468 11.267,469 0.49,470 0.534,471 0.023,472 31.5,473 1.37,474 16,475 0.696,476 15.5,477 0.674,478 18.34,479 0.797,480 22.933,481 0.62,482 19.298,483 0.839,484 5.622,485 0.244,486 5.688,487 0.247,488 0.03,490 0.391,496 0.654,497 1.036,498 0.659,499 0.805,500 0.508,501 0.776,502 0.364,503 0.996,504 0.718,505 0.91,506 0.454,507 0.897,508 0.733,509 1.099,510 0.991,511 1.053,512 0.706,513 0.922,514 0.892,515 1.34,516 1.152,517 1.292,518 0.807,519 1.012,520 1.448,521 1.164,522 1.077,523 0.949,524 0.974,525 0.884,526 1.595,527 0.863,528 0.884,529 0.711,530 1.191,531 0.883,532 2.156,533 0.777,534 1.08,535 0.805,536 2.641,537 1.004,538 1.806,539 0.878,540 1.521,541 1.191,542 2.4,543 1.274,544 3.5,545 0.016,546 2.444,547 1.889,548 1.334,549 0.869,550 0.483,551 0.258,552 0.079,553 0.027,554 5682,555 14095,556 2.274,557 37.8,558 6,559 5,562 1,563 2,567 1.662,568 2.19,569 3.057,570 -0.284,572 1,577 61.96,578 1.675,579 3.771,580 4.227,581 4.594,582 4.777,583 4.777,584 2.525,585 4.056,586 4.495,587 3.153,588 797.609,589 7.765,590 8525.64,592 1,593 1,594 1,595 192.75,596 1.192,597 4.481,598 0.13,599 0.004,600 0.061,601 0.047,602 0.036,603 0.028,604 0.018,605 0.012,606 0.005,607 0.003,608 0.344,609 0.33,610 0.88,611 0.393,612 104.395,613 0.035,614 0.013,615 0.069,616 0.054,617 0.001,618 0.046,619 0.394,620 0.031,621 0.129,622 0.008,623 0.137,624 -0.014,625 0.137,626 -0.12,627 0.09,629 0.126,630 0.072,631 0.152,632 -0.286,633 0.025,634 -0.218,635 0.115,636 -0.058,637 -0.271,638 -0.044,639 -0.117,640 -0.049,641 -0.09,642 -0.019,643 -0.363,644 0.201,645 -0.153,646 0.055,647 -0.104,648 -0.034,649 -0.485,650 0.175,651 -0.214,652 0.08,653 -0.38,654 -0.101,655 -0.441,656 0.031,657 -0.414,658 -0.102,659 -0.428,660 -0.287,661 1.888,662 5.362,663 0.957,664 16.628,665 1.006,666 1.113,667 4.066,668 16.53,669 0.728,670 3.332,671 3.714,672 4.094,673 4.477,674 4.779,675 4.984,676 5.209,677 5.421,678 5.501,679 5.606,680 4.94,681 0.692,682 322.42,683 3.332,684 4.905,685 5.808,686 6.732,687 7.657,688 8.592,689 9.526,690 10.466,691 11.405,692 12.348,693 10.8,700 1,701 1,703 2,709 5,710 2,713 1,714 7,715 1,716 16,735 37,737 17,738 1,739 27,741 41,742 17,743 12,744 1,745 5,746 1,748 5,749 11,753 1,757 4,760 4,762 13,763 4,767 1,772 1,776 1,780 1,783 14,784 4,785 1,786 6,787 1,792 4,797 0.4,798 1,815 2,816 3,819 3,822 1,843 2,845 1,851 23,858 4,860 1,869 1,871 1,874 2.7,877 1,881 10.5,882 6.85,883 4.861,884 2.464,886 3.047,887 1.38,888 1.09,889 2.922,890 11.055,891 3.611,892 4.263,893 4.934,894 5.607,895 6.117,896 6.57,897 7.048,898 7.498,899 7.867,900 8.212,901 0.833,902 40,903 8.531,905 3.835,906 7.616,907 16.609,909 14.622,911 2.116,912 48.667,916 153.024,917 109.573,918 53.236,920 25.145,922 31.278,923 78.296,924 178.169,925 53.236,927 28.149,928 47.381,929 60.921,930 14.591,931 5.634,932 184.302,934 153.024,935 131.532,936 25.145,937 31.278,939 155.352,940 25.145,943 33.183,944 62.572,945 33.449,946 31.278,947 153.024,948 78.381,949 109.573,952 153.024,953 62.192,954 49.158,955 18.011,956 58.593,957 153.024,958 78.381,959 109.573,961 0.59,962 0.359,963 0.213,964 0.122,965 24,966 9,967 0.024,968 1,969 3,970 1.273,971 3.546,972 209.23,973 0.273,974 22,975 100.042,977 1,981 13.44,982 5,983 1.994,985 76.604,986 9.784,987 9.118,990 1.697,991 6.957,992 1.409,993 18.011,994 340.979,995 36,1000 12.362,1004 -0.222,1007 37.229,1008 41.199,1009 0.321,1010 0.724,1011 0.811,1012 0.882,1013 0.917,1014 0.917,1015 4.875,1016 1.341,1017 5.808,1018 3.949,1019 4.394,1020 4.949,1021 1.701,1022 6.701,1023 4.302,1024 6.098,1025 1.044,1026 7.407,1027 2.96,1028 4.007,1029 4.796,1030 1.195,1031 7.722,1032 3.858,1033 7.429,1034 1,1035 9.109,1036 2.62,1037 6.052,1038 7.191,1039 2.344,1040 10.911,1041 5.865,1042 8.8,1043 0.763,1044 10.874,1045 2.178,1046 6.538,1047 7.924,1048 2.262,1049 12.802,1050 6.287,1051 10.209,1052 0.447,1053 12.679,1054 2.136,1055 8.039,1056 9.758,1057 3.143,1058 15.506,1059 7.753,1060 11.644,1061 -0.248,1062 14.512,1063 1.208,1064 8.921,1065 10.892,1066 3.301,1067 17.748,1068 8.569,1069 13.1,1070 -0.665,1071 16.366,1072 -0.667,1073 10.218,1074 12.507,1075 4.023,1076 20.3,1077 9.827,1078 3.381,1079 -0.756,1080 18.235,1081 -1.54,1082 11.279,1083 13.826,1084 4.321,1085 22.689,1086 10.823,1087 2.943,1088 12.229,1089 20.116,1090 -2.062,1091 12.503,1092 15.354,1093 4.946,1094 25.195,1095 12.002,1096 2.632,1097 9.872,1098 22.007,1099 4.474,1100 13.642,1101 16.759,1102 5.326,1103 27.645,1104 13.08,1105 2.117,1106 8.611,1107 23.906,1108 3.979,1109 14.845,1110 18.255,1111 5.892,1112 30.14,1113 14.233,1114 2.089,1115 6.848,1116 25.813,1117 3.481,1118 16.019,1119 19.7,1120 6.319,1121 32.616,1122 15.348,1123 1.741,1124 6.514,1125 27.725,1126 2.768,1127 17.218,1128 21.185,1129 6.852,1130 35.111,1131 16.495,1132 1.474,1133 4.647,1134 29.642,1135 2.599,1136 18.409,1137 22.65,1138 7.305,1139 37.6,1140 17.629,1141 5169,1142 8316,1143 18.898,1144 26.932,1145 42.382,1146 43.042,1147 42.617,1148 41.969,1149 41.942,1150 55.208,1151 3.542,1152 127.541,1153 40.042,1154 5.672,1155 5.74,1156 6.869,1157 5.473,1158 5.381,1159 7.474,1160 2.86,1161 19.85,1162 5.205,1163 5.664,1164 1.57,1165 1.594,1166 1.578,1167 1.554,1168 1.553,1169 2.045,1170 0.131,1171 4.724,1172 1.483,1173 4.113,1174 4.146,1175 4.31,1176 4.058,1177 7.43,1178 4.025,1179 3.902,1180 3.931,1181 3.924,1182 3.851,1183 5.048,1184 3.839,1185 3.728,1186 3.783,1187 3.686,1188 3.535,1189 4.694,1190 3.562,1191 3.368,1192 3.416,1193 3.432,1194 3.281,1195 4.529,1196 3.239,1197 3.16,1198 3.19,1199 3.136,1200 2.925,1201 4.017,1202 2.95,1203 3.059,1204 3.142,1205 2.923,1206 2.905,1207 3.683,1208 2.887,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.674,1214 2.715,1215 2.762,1216 2.825,1217 2.663,1218 2.616,1219 3.569,1220 2.618,1221 0.175,1222 0.139,1223 0.262,1224 0.16,1225 0.125,1226 4.727,1227 0.166,1228 3.74,1229 0.06,1230 7.067,1231 0.453,1232 4.329,1233 0.119,1234 3.381,1235 4.474,1236 1.629,1237 12.229,1238 3.205,1239 1.899,1240 1.872,1241 2.033,1242 1.983,1243 1.396,1244 1.998,1245 1.858,1246 1.821,1247 2.014,1248 1.981,1249 1.08,1250 1.991,1251 1.661,1252 1.632,1253 1.68,1254 1.871,1255 0.911,1256 1.838,1257 1.222,1258 1.172,1259 1.427,1260 1.441,1261 0.695,1262 1.415,1263 1.138,1264 1.106,1265 1.3,1266 1.309,1267 0.548,1268 1.348,1269 1.057,1270 1.001,1271 1.211,1272 1.208,1273 0.318,1274 1.239,1275 0.886,1276 0.821,1277 1.181,1278 1.066,1279 0.218,1280 1.107,1281 0.829,1282 0.79,1283 0.891,1284 1.062,1285 0.03,1286 1.04,1287 4.007,1289 5.371,1290 3.045,1291 6.94,1292 5.476,1293 8.606,1294 7.67,1295 10.324,1303 4.583,1305 2.978,1314 25.622,1315 61.96,1316 139.53,1317 156.385,1318 169.995,1319 176.75,1320 176.75,1321 27.447,1322 8.008,1323 63.05,1324 91.29,1325 28,1326 12.842,1327 4.17,1328 3.322,1329 28.459,1330 68,1331 71,1332 0.213,1333 155.758,1334 258.34,1335 371.811,1336 31840,1338 15.389,1339 0.669,1340 0.573,1341 15.742,1342 13.19,1343 11.31,1344 0.419,1345 0.319,1346 7.789,1347 10.539,1348 7.598,1349 6.23,1350 11.718,1351 8.615,1352 10.452,1353 0.261,1354 0.175,1355 11.094,1356 6.987,1357 9.528,1358 0.161,1359 0.096,1360 10.304,1361 5.654,1362 8.736,1363 0.1,1364 0.053,1365 9.72,1366 4.641,1367 7.453,1368 0.063,1369 0.03,1370 8.383,1371 3.527,1372 0.318,1373 74.28,1374 0.23,1375 21.917,1376 0.632,1377 134,1378 359.864,1379 171.58,1380 373.593,1381 531.49,1382 352,1383 166,1384 400.32,1385 202.118,1386 418.1,1387 629.42,1388 397,1389 5.1}
{0 CHEMBL2010872,1 1.491,2 11.25,3 4.751,4 22.574,5 140.818,6 7.581,7 0.619,8 4.272,9 4.398,10 3.878,11 3.841,12 5.329,13 3.826,14 4.836,15 5.015,16 4.303,17 4.297,18 5.854,19 4.266,20 5.067,21 5.261,22 4.381,23 4.468,24 6.03,25 4.41,26 5.183,27 5.395,28 4.458,29 4.554,30 6.105,31 4.493,32 5.203,33 5.375,34 4.541,35 4.64,36 6.189,37 4.577,38 5.378,39 5.582,40 4.518,41 4.693,42 6.358,43 4.595,44 5.413,45 5.663,46 4.337,47 4.606,48 6.291,49 4.475,50 5.328,51 5.602,52 4.168,53 4.424,54 6.21,55 4.292,56 0.052,57 1.018,58 12.474,59 5.362,60 9.429,61 7.137,62 0.274,63 1.711,64 24.644,65 9.43,66 27.438,67 12.99,68 0.215,69 2.056,70 31.977,71 12.348,72 31.274,73 17.014,74 0.313,75 2.27,76 37.328,77 13.832,78 33.781,79 19.229,80 0.197,81 2.384,82 35.045,83 14.722,84 23.458,85 19.874,86 0.486,87 2.681,88 44.827,89 18.029,90 53.764,91 24.772,92 0.43,93 2.653,94 50.172,95 18.72,96 57.508,97 26.564,98 0.511,99 2.362,100 48.647,101 16.438,102 70.063,103 23.795,104 19,105 64,106 0.234,107 0.63,108 0.817,109 0.847,110 0.847,111 0.847,112 3.617,113 0.891,114 -4.56,115 -4.48,116 -4.22,119 44.4,120 2,121 2,122 1,124 1,125 2,142 4,143 7,144 1,145 2,146 1,150 1,151 1,152 2,158 1,166 1,172 12,174 1,175 11,178 3,180 4,183 14,188 13,193 4,196 13,200 15,205 5,208 15,213 8,216 2,218 3,221 23,224 5,225 6,228 2,230 4,233 22,237 2,238 5,242 1,243 5,246 10,250 12,253 1,255 6,258 1,264 15,267 2,272 1,276 2196,277 24.67,278 24.67,279 24.67,280 24.67,281 24.67,282 21.555,283 30.846,284 14.198,285 25.069,286 20.824,287 20.824,288 20.824,289 20.824,290 20.824,291 15.782,292 39.65,293 6.832,294 21.489,295 4.486,296 1.96,297 0.766,298 0.576,299 0.576,300 0.576,301 4.346,306 1,307 924,308 3.536,311 131.53,312 229.636,315 300.587,316 80.871,318 96.331,319 1.667,320 27.129,323 1,324 0.67,325 1,326 0.8,327 0.5,328 1,329 1,330 0.85,331 76.5,332 405,333 4.989,334 3.758,335 7.417,336 4.553,337 3.567,338 5.082,339 1.081,340 13.597,341 3.52,342 4.549,343 3.428,344 6.905,345 4.144,346 3.164,347 4.295,348 0.473,349 11.613,350 3.099,351 4.222,352 3.195,353 6.437,354 3.854,355 2.872,356 3.841,357 0.4,358 9.872,359 2.817,360 4.032,361 2.841,362 6.1,363 3.624,364 2.678,365 3.569,367 8.774,368 2.552,369 3.885,370 2.705,371 5.85,372 3.445,373 2.489,374 3.429,376 7.768,377 2.367,378 3.656,379 2.626,380 5.609,381 3.285,382 2.3,383 3.119,385 7.637,386 2.261,387 3.585,388 2.341,389 5.416,390 3.195,391 2.229,392 2.938,394 6.698,395 2.145,396 3.289,397 2.173,398 4.999,399 2.977,400 1.996,401 2.536,403 5.769,404 1.951,405 3.144,406 2.076,407 4.868,408 2.852,409 1.888,410 2.262,412 5.242,413 1.817,414 3.053,415 2.015,416 4.758,417 2.741,418 1.761,419 2.142,421 5.033,422 1.719,423 2.907,424 1.743,425 4.596,426 2.517,427 1.531,428 2.028,430 4.458,431 1.504,432 2.858,433 1.589,434 4.519,435 2.393,436 1.412,437 1.996,439 4.019,440 1.382,441 2.656,442 1.434,443 4.058,444 2.322,445 1.335,446 1.691,448 3.036,449 1.312,450 2.5,451 1.276,452 3.701,453 1.997,454 1.04,455 1.5,457 2.893,458 0.992,459 2.358,460 1.012,461 3.595,462 1.917,463 1,464 1.3,466 2.264,467 0.916,468 17.133,469 0.476,470 1.025,471 0.028,472 48.75,473 1.354,474 24,475 0.667,476 24.75,477 0.688,478 35.817,479 0.995,480 36.867,481 0.585,482 39.146,483 1.087,484 9.037,485 0.251,486 8.454,487 0.235,488 0.107,490 0.455,496 0.768,497 1.269,498 0.744,499 1.004,500 0.598,501 0.89,502 0.78,503 0.954,504 0.745,505 0.806,506 0.504,507 0.77,508 0.977,509 1.072,510 0.915,511 0.979,512 0.898,513 0.942,514 1.041,515 0.931,516 0.871,517 0.84,518 0.861,519 0.831,520 0.844,521 1.158,522 0.991,523 1.17,524 0.803,525 1.112,526 0.795,527 1.125,528 1.089,529 1.246,530 1.071,531 1.222,532 0.871,533 1.059,534 1.064,535 1.155,536 0.959,537 1.143,538 1.108,539 1.025,540 1.016,541 1.001,542 1.227,543 1.004,544 6.5,545 0.2,546 3.333,547 3.431,548 2.826,549 2.039,550 1.455,551 1.004,552 0.617,553 0.353,554 18028,555 42382,556 2.217,557 42.9,558 8,559 11,560 1,561 2,562 2,563 2,564 1,567 1.783,568 2.077,569 3.381,570 0.148,577 93.929,578 1.491,579 4.018,580 5.211,581 5.402,582 5.402,583 5.402,584 2.923,585 4.892,586 5.134,587 3.555,588 2239.45,589 9.083,590 32534.1,595 376.569,596 1.392,597 5.106,598 0.155,599 0.006,600 0.052,601 0.05,602 0.038,603 0.026,604 0.02,605 0.017,606 0.013,607 0.009,608 0.386,609 0.17,610 0.75,611 0.783,612 189.672,613 0.025,614 -0.111,615 0.077,616 -0.017,617 -0.021,618 0.026,619 0.114,620 0.151,621 0.152,622 0.167,623 0.141,624 0.165,625 -0.095,626 -0.027,628 0.015,629 -0.075,630 0.022,631 -0.112,632 0.096,633 0.071,634 0.15,635 -0.027,636 0.14,637 -0.02,638 -0.105,639 -0.109,640 -0.161,641 0.002,642 -0.148,643 0.144,644 -0.136,645 -0.153,646 -0.235,647 0.021,648 -0.237,649 0.016,650 -0.125,651 -0.071,652 -0.148,653 -0.021,654 -0.128,655 -0.031,656 -0.114,657 0.03,658 -0.014,659 -0.025,660 0.009,661 1.656,662 6.253,663 0.806,664 37.556,665 0.998,666 1.125,667 3.326,668 11.06,669 0.684,670 3.761,671 4.174,672 4.564,673 5.011,674 5.38,675 5.673,676 6.006,677 6.31,678 6.518,679 6.711,680 6.459,681 0.653,682 477.62,683 3.761,684 5.361,685 6.275,686 7.223,687 8.167,688 9.129,689 10.088,690 11.057,691 12.025,692 12.999,693 11.1,700 1,701 3,703 3,708 4,709 7,710 3,714 8,715 2,716 26,723 1,728 1,735 63,737 27,738 2,739 42,741 69,742 28,743 19,744 9,745 3,746 1,748 7,749 26,754 2,757 2,760 2,762 20,763 8,764 1,767 1,772 1,776 1,783 27,784 6,785 2,786 8,792 7,797 0.286,798 1,807 1,810 1,811 1,815 3,816 4,819 4,820 1,822 1,843 2,847 3,851 36,858 4,860 2,863 1,874 1.6,877 1,881 17.333,882 12.583,883 7.528,884 4.04,886 4.996,887 1.512,888 1.073,889 4.821,890 14.762,891 4.043,892 4.762,893 5.49,894 6.258,895 6.944,896 7.525,897 8.169,898 8.786,899 9.284,900 9.777,901 0.875,902 68,903 13.346,905 5.938,906 7.556,907 26.062,909 22.853,911 2.056,912 74,916 294.278,917 137.854,918 89.931,920 25.145,923 137.854,924 319.422,925 89.931,926 26.047,927 27.291,928 46.952,929 103.626,930 66.369,931 17.958,932 258.964,934 294.278,935 227.785,936 25.145,939 282.506,940 36.916,943 89.379,944 88.172,945 50.234,947 294.278,948 115.076,949 137.854,952 294.278,953 46.76,954 94.77,955 36.022,956 75.379,957 294.278,958 115.076,959 137.854,961 0.596,962 0.352,963 0.216,964 0.133,965 37,966 16,967 0.058,968 4,969 5,970 1.345,971 4.405,972 410.702,973 0.345,974 29,975 180.117,981 21.726,982 7.989,983 3.27,984 4.776,985 111.4,986 13.782,987 13.343,991 7.906,992 4.345,993 36.022,994 547.208,995 56,1000 13.253,1004 0.011,1007 62.876,1008 70.85,1009 0.249,1010 0.672,1011 0.872,1012 0.904,1013 0.904,1014 0.904,1015 5.33,1016 1.996,1017 6.297,1018 6.698,1019 4.86,1020 5.451,1021 1.412,1022 7.226,1023 4.804,1024 6.584,1025 1.888,1026 7.918,1027 5.769,1028 4.575,1029 5.46,1031 8.326,1032 4.507,1033 7.939,1034 1.761,1035 9.64,1036 5.242,1037 6.553,1038 7.808,1039 1.356,1040 11.545,1041 6.452,1042 9.333,1043 1.531,1044 11.424,1045 5.033,1046 7.099,1047 8.678,1049 13.526,1050 6.993,1051 10.764,1052 1.412,1053 13.25,1054 4.458,1055 8.575,1056 10.526,1057 1.44,1058 16.289,1059 8.443,1060 12.223,1061 1.335,1062 15.106,1063 4.019,1064 9.506,1065 11.799,1067 18.635,1068 9.37,1069 13.705,1070 1.04,1071 16.986,1072 3.036,1073 10.806,1074 13.47,1075 1.555,1076 21.262,1077 10.652,1078 3.567,1079 1,1080 18.884,1081 2.893,1082 11.912,1083 14.93,1085 23.755,1086 11.753,1087 3.164,1088 13.597,1089 20.797,1090 2.264,1091 13.159,1092 16.546,1093 1.679,1094 26.348,1095 12.986,1096 2.872,1097 11.613,1098 22.723,1099 5.082,1100 14.343,1101 18.089,1103 28.899,1104 14.162,1105 2.678,1106 9.872,1107 24.658,1108 4.295,1109 15.581,1110 19.694,1111 1.807,1112 31.488,1113 15.387,1114 2.489,1115 8.774,1116 26.602,1117 3.841,1118 16.8,1119 21.276,1121 34.065,1122 16.597,1123 2.3,1124 7.768,1125 28.553,1126 3.569,1127 18.041,1128 22.882,1129 1.939,1130 36.657,1131 17.827,1132 2.229,1133 7.637,1134 30.511,1135 3.429,1136 19.279,1137 24.483,1139 39.246,1140 19.054,1141 16364,1142 25280,1143 28.668,1144 43.108,1145 65.915,1146 66.933,1147 67.907,1148 65.356,1149 65.431,1150 87.045,1151 3.907,1152 204.754,1153 63.534,1154 5.873,1155 5.758,1156 7.219,1157 5.621,1158 5.567,1159 8.082,1160 2.162,1161 21.597,1162 5.52,1163 15.937,1164 1.569,1165 1.594,1166 1.617,1167 1.556,1168 1.558,1169 2.072,1170 0.093,1171 4.875,1172 1.513,1173 4.285,1174 4.31,1175 4.264,1176 4.216,1177 7.429,1178 4.225,1179 3.981,1180 4.028,1181 3.943,1182 3.866,1183 5.057,1184 3.877,1185 3.833,1186 3.893,1187 3.788,1188 3.654,1189 4.974,1190 3.679,1191 3.751,1192 3.8,1193 3.696,1194 3.591,1195 4.872,1196 3.609,1197 3.665,1198 3.726,1199 3.529,1200 3.543,1201 4.469,1202 3.529,1203 3.499,1204 3.563,1205 3.388,1206 3.33,1207 4.263,1208 3.339,1209 3.324,1210 3.395,1211 3.201,1212 3.149,1213 4.102,1214 3.155,1215 3.034,1216 3.098,1217 2.939,1218 2.874,1219 4.006,1220 2.879,1221 0.119,1222 0.089,1223 0.177,1224 0.108,1225 0.085,1226 4.989,1227 0.121,1228 3.758,1229 0.026,1230 7.417,1231 0.324,1232 4.553,1233 0.084,1234 3.567,1235 5.082,1236 1.081,1237 13.597,1238 3.52,1239 2.044,1240 2.034,1241 2.098,1242 2.095,1243 1.419,1244 2.096,1245 1.946,1246 1.915,1247 2.046,1248 2.065,1249 1.281,1250 2.06,1251 1.733,1252 1.677,1253 1.934,1254 1.926,1255 1.157,1256 1.917,1257 1.691,1258 1.637,1259 1.834,1260 1.84,1261 0.976,1262 1.86,1263 1.535,1264 1.492,1265 1.739,1266 1.814,1267 0.797,1268 1.792,1269 1.507,1270 1.421,1271 1.704,1272 1.684,1273 0.775,1274 1.69,1275 1.322,1276 1.273,1277 1.52,1278 1.602,1279 0.698,1280 1.579,1281 1.253,1282 1.193,1283 1.43,1284 1.452,1285 0.593,1286 1.451,1287 4.443,1289 5.832,1290 3.434,1291 7.416,1292 5.9,1293 9.104,1294 8.095,1295 10.856,1297 6.465,1303 3.183,1305 6.463,1308 0.473,1314 41.133,1315 93.929,1316 253.104,1317 328.304,1318 340.304,1319 340.304,1320 340.304,1321 48.766,1322 9.766,1323 89.66,1324 89.66,1325 39,1326 13.475,1327 4.807,1328 3.907,1329 44.614,1330 138,1331 173,1332 0.162,1333 244.03,1334 406.05,1335 587.193,1336 261479,1338 24.551,1339 0.682,1340 0.572,1341 24.551,1342 20.592,1343 17.491,1344 0.416,1345 0.297,1346 12.328,1347 16.897,1348 11.961,1349 9.901,1350 17.491,1351 12.481,1352 16.81,1353 0.263,1354 0.16,1355 16.81,1356 10.21,1357 14.567,1358 0.153,1359 0.077,1360 14.567,1361 7.313,1362 13.901,1363 0.093,1364 0.041,1365 13.901,1366 6.041,1367 12.47,1368 0.058,1369 0.022,1370 12.47,1371 4.715,1372 0.244,1373 108.938,1374 0.187,1375 31.836,1376 0.479,1377 212,1378 526.627,1379 228.147,1380 520.686,1381 748.62,1382 492,1383 265,1384 590.493,1385 282.591,1386 600.348,1387 898.83,1388 568,1389 7.678}
{0 CHEMBL202635,1 1.728,2 12.821,3 2.707,4 7.328,5 105.809,6 8.182,7 0.4,8 3.994,9 4.116,10 3.631,11 3.491,12 5.155,13 3.488,14 4.53,15 4.714,16 3.969,17 3.863,18 5.637,19 3.831,20 4.772,21 4.984,22 4.06,23 4.021,24 5.856,25 3.95,26 4.827,27 5.066,28 4.013,29 3.974,30 5.912,31 3.882,32 4.741,33 4.963,34 4.035,35 3.914,36 5.912,37 3.841,38 4.678,39 4.878,40 4.033,41 3.914,42 5.845,43 3.828,44 4.679,45 4.894,46 3.829,47 3.83,48 5.781,49 3.742,50 4.528,51 4.732,52 3.744,53 3.689,54 5.76,55 3.619,56 0.081,57 0.751,58 8.821,59 3.937,60 11.528,61 5.14,62 0.402,63 1.14,64 18.876,65 6.615,66 31.271,67 8.94,68 0.486,69 1.341,70 27.064,71 8.946,72 50.832,73 12.202,74 0.578,75 1.281,76 33.619,77 9.82,78 60.959,79 13.782,80 0.733,81 1.162,82 29.648,83 8.913,84 69.149,85 12.089,86 0.524,87 1.089,88 30.431,89 8.955,90 60.255,91 11.628,92 0.612,93 1.035,94 33.782,95 8.467,96 66.776,97 10.974,98 0.603,99 0.963,100 23.315,101 6.665,102 69.919,103 8.851,104 21,105 40,106 0.293,107 0.663,108 0.811,109 0.851,110 0.851,111 0.851,112 3.374,113 0.935,114 -2.63,115 -2.65,116 -2.58,119 38.8,121 3,124 1,125 3,142 2,143 1,144 3,145 2,146 1,147 1,158 1,159 1,172 3,175 4,178 3,179 1,180 1,183 4,187 2,188 4,191 2,193 1,196 2,199 2,200 3,203 1,205 3,208 2,212 3,213 2,216 2,218 1,221 3,225 3,228 2,230 2,233 5,237 1,238 4,246 2,249 3,250 4,253 2,255 2,264 2,269 1,276 1342,277 19.049,278 19.049,279 19.049,280 19.049,281 19.049,282 17.302,283 28.075,284 11.383,285 19.662,286 14.703,287 14.703,288 14.703,289 14.703,290 14.703,291 11.896,292 37.554,293 5.3,294 15.656,295 3.887,296 1.701,297 0.822,298 0.587,299 0.587,300 0.587,301 4.057,302 1,305 1,306 1,307 759,308 3.391,312 317.558,319 2.036,320 29.371,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 61.333,332 359,333 4.39,334 4.057,335 6.327,336 3.984,337 3.034,338 4.067,339 2.035,340 9.698,341 2.866,342 4.115,343 3.577,344 5.857,345 3.646,346 2.703,347 3.698,348 1.656,349 8.131,350 2.541,351 3.848,352 3.317,353 5.544,354 3.529,355 2.59,356 3.16,357 0.916,358 7.524,359 2.428,360 3.708,361 2.912,362 5.281,363 3.318,364 2.368,365 2.964,366 0.86,367 6.692,368 2.244,369 3.439,370 2.73,371 5.22,372 3.182,373 2.254,374 2.559,375 0.247,376 6.545,377 2.077,378 3.391,379 2.632,380 4.824,381 2.891,382 1.938,383 2.48,384 0.172,385 5.436,386 1.832,387 3.019,388 2.202,389 4.497,390 2.605,391 1.65,392 2.159,394 4.546,395 1.526,396 2.92,397 2.04,398 3.731,399 2.392,400 1.417,401 1.5,403 3.1,404 1.376,405 2.5,406 1.736,407 3.491,408 1.984,409 1,410 1.459,412 2.275,413 0.983,414 2.46,415 1.434,416 3.414,417 1.917,418 1,419 1.086,421 2.136,422 0.915,423 2.023,424 1.077,425 3.247,426 1.747,427 0.896,428 1,430 2.116,431 0.717,432 2,433 1,434 2.952,435 1.502,436 0.579,437 0.96,439 0.955,440 0.531,441 1.394,442 0.827,443 2.829,444 1.159,445 0.256,446 0.282,448 0.447,449 0.226,450 1.337,451 0.691,452 2.667,453 0.859,454 -0.058,455 -0.073,457 -0.128,458 -0.052,459 1,460 0.379,461 2.512,462 0.667,463 -0.301,464 -0.351,466 -0.655,467 -0.268,468 13.281,469 0.474,470 0.588,471 0.021,472 37,473 1.321,474 18,475 0.643,476 19,477 0.679,478 23.009,479 0.822,480 30.519,481 0.623,482 27.008,483 0.965,484 7.123,485 0.254,486 6.461,487 0.231,488 0.147,490 0.294,496 0.807,497 1.535,498 0.636,499 1.111,500 0.508,501 0.964,502 0.893,503 1.077,504 0.741,505 0.877,506 0.482,507 0.886,508 0.911,509 1.053,510 0.916,511 1.012,512 0.713,513 1.019,514 0.83,515 1.003,516 0.982,517 1.088,518 0.694,519 1.006,520 0.882,521 0.877,522 0.88,523 0.9,524 0.947,525 0.887,526 1.064,527 1.032,528 1.316,529 1.234,530 0.968,531 1.115,532 1.582,533 0.941,534 1.678,535 1.14,536 1.216,537 1.06,538 1.252,539 0.943,540 1.164,541 1.052,542 0.862,543 1.094,544 6,545 0.128,546 2.444,547 1.563,548 1.738,549 0.931,550 0.669,551 0.342,552 0.287,553 0.199,554 10184,555 30655,556 2.034,557 42.9,558 2,559 11,561 2,562 2,564 4,567 1.708,568 1.909,569 3.61,570 0.318,571 1,572 1,577 84.662,578 1.728,579 3.914,580 4.793,581 5.028,582 5.028,583 5.028,584 3.115,585 4.236,586 4.774,587 3.775,588 1426.8,589 8.294,590 19382.3,592 1,594 1,595 275.121,596 1.379,597 4.74,598 0.2,599 0.007,600 0.061,601 0.038,602 0.047,603 0.025,604 0.019,605 0.011,606 0.01,607 0.009,608 0.427,609 0.33,610 1,611 0.845,612 142.646,613 -0.076,614 -0.294,615 0.024,616 -0.109,617 0.034,618 -0.03,619 0.024,620 0.038,621 0.041,622 0.081,623 0.107,624 0.049,625 -0.011,626 -0.022,627 -0.009,628 -0.032,629 0.046,630 -0.047,631 0.109,632 -0.078,633 0.074,634 -0.079,635 0.126,636 0.009,637 0.242,638 0.053,639 0.155,640 0.103,641 0.112,642 0.106,643 0.039,644 -0.09,645 -0.025,646 -0.153,647 0.037,648 -0.096,649 -0.264,650 -0.045,651 -0.274,652 -0.082,653 -0.166,654 -0.063,655 0.001,656 0.04,657 -0.146,658 -0.083,659 0.115,660 -0.154,661 2.183,662 5.256,663 0.643,664 30.495,665 1.013,666 1.136,667 1.396,668 1.948,669 0.671,670 3.434,671 3.714,672 3.932,673 4.143,674 4.369,675 4.344,676 4.382,677 4.443,678 4.466,679 4.522,680 7.224,681 0.645,682 400.91,683 3.434,684 4.949,685 5.771,686 6.624,687 7.465,688 8.321,689 9.169,690 10.028,691 10.88,692 11.74,693 12.2,696 1,700 2,702 1,703 2,709 4,710 2,714 6,716 12,718 1,733 1,734 1,735 49,737 14,738 1,739 30,741 51,742 19,743 10,744 4,745 2,748 3,749 3,750 1,753 1,757 3,760 3,761 1,762 11,763 7,767 1,772 1,776 1,780 1,783 21,784 8,785 2,786 9,787 1,792 6,797 1,798 2,806 1,816 3,839 1,843 3,847 1,848 1,851 28,858 6,860 2,861 1,864 1,866 1,870 1,872 1,873 1,874 4.1,877 1,879 1,881 14.667,882 9.11,883 6.389,884 2.932,886 2.302,887 1.323,888 0.957,889 7.048,890 9.425,891 3.689,892 4.19,893 4.687,894 5.18,895 5.684,896 5.811,897 5.969,898 6.124,899 6.155,900 6.487,901 0.889,902 41,903 10.299,905 4.266,906 7.885,907 19.43,909 15.403,911 2.385,912 66.778,915 1,916 223.651,917 102.5,918 103.776,919 39.149,920 36.145,923 102.5,924 298.944,925 103.776,926 10.883,927 49.942,928 18.952,929 98.86,930 80.722,931 6.604,932 200.109,933 39.149,934 223.651,935 206.276,936 36.145,937 39.149,939 176.567,940 83.229,943 104.977,944 67.727,945 72.72,947 223.651,948 139.921,949 141.648,952 223.651,953 37.968,954 51.055,955 52.623,956 139.924,957 223.651,958 139.921,959 141.648,961 0.567,962 0.33,963 0.175,964 0.1,965 17,966 8,967 0.098,968 5,970 1,971 4.017,972 228.068,974 18,975 130.606,981 20.347,982 9.699,983 5.56,985 139.921,986 6.129,987 7.806,991 2.905,993 36.022,994 505.22,995 39,1000 12.256,1004 -0.517,1007 49.658,1008 55.674,1009 0.308,1010 0.697,1011 0.854,1012 0.895,1013 0.895,1014 0.895,1015 4.92,1016 1.417,1017 5.733,1018 4.546,1019 4.394,1020 4.875,1021 2.837,1022 6.482,1023 4.271,1024 6.101,1025 1,1026 7.253,1027 3.1,1028 3.892,1029 4.605,1030 1.305,1031 7.235,1032 3.691,1033 7.387,1034 1,1035 8.867,1036 2.275,1037 5.932,1038 6.973,1039 3.861,1040 10.282,1041 5.695,1042 8.701,1043 0.896,1044 10.534,1045 2.136,1046 6.217,1047 7.501,1048 2.37,1049 11.819,1050 5.892,1051 10.044,1052 0.579,1053 12.234,1054 2.116,1055 7.715,1056 9.355,1057 5.13,1058 14.375,1059 7.362,1060 11.406,1061 0.256,1062 13.958,1063 0.955,1064 8.379,1065 10.263,1066 3.422,1067 16.27,1068 7.942,1069 12.784,1070 -0.058,1071 15.698,1072 0.447,1073 9.641,1074 11.892,1075 6.481,1076 18.641,1077 9.171,1078 3.034,1079 -0.301,1080 17.451,1081 -0.128,1082 10.504,1083 13.006,1084 4.469,1085 20.715,1086 9.956,1087 2.703,1088 9.698,1089 19.214,1090 -0.655,1091 11.659,1092 14.522,1093 7.863,1094 23.014,1095 11.072,1096 2.59,1097 8.131,1098 20.987,1099 4.067,1100 12.628,1101 15.752,1102 5.505,1103 25.18,1104 11.971,1105 2.368,1106 7.524,1107 22.766,1108 3.698,1109 13.737,1110 17.209,1111 9.26,1112 27.452,1113 13.036,1114 2.254,1115 6.692,1116 24.553,1117 3.16,1118 14.763,1119 18.506,1120 6.531,1121 29.666,1122 13.996,1123 1.938,1124 6.545,1125 26.345,1126 2.964,1127 15.855,1128 19.932,1129 10.666,1130 31.93,1131 15.04,1132 1.65,1133 5.436,1134 28.142,1135 2.559,1136 16.912,1137 21.268,1138 7.551,1139 34.169,1140 16.035,1141 9926,1142 17484,1143 19.879,1144 32.892,1145 44.689,1146 47.482,1147 45.097,1148 43.443,1149 43.372,1150 54.743,1151 11.773,1152 119.199,1153 40.526,1154 5.39,1155 6.057,1156 6.129,1157 5.053,1158 5.034,1159 7.067,1160 4.069,1161 16.417,1162 4.866,1163 13.793,1164 1.49,1165 1.583,1166 1.503,1167 1.448,1168 1.446,1169 1.825,1170 0.392,1171 3.973,1172 1.351,1173 3.987,1174 4.021,1175 4.046,1176 3.895,1177 7.431,1178 3.898,1179 3.857,1180 3.911,1181 3.835,1182 3.682,1183 6.821,1184 3.713,1185 3.799,1186 3.853,1187 3.683,1188 3.659,1189 4.971,1190 3.651,1191 3.46,1192 3.507,1193 3.496,1194 3.211,1195 4.936,1196 3.253,1197 3.295,1198 3.354,1199 3.329,1200 3.063,1201 4.628,1202 3.08,1203 3.18,1204 3.254,1205 3.119,1206 2.957,1207 4.317,1208 2.963,1209 3.111,1210 3.206,1211 3.049,1212 2.941,1213 4.147,1214 2.91,1215 3.079,1216 3.139,1217 2.866,1218 2.846,1219 4.037,1220 2.878,1221 0.146,1222 0.135,1223 0.211,1224 0.133,1225 0.101,1226 4.39,1227 0.136,1228 4.057,1229 0.068,1230 6.327,1231 0.323,1232 3.984,1233 0.096,1234 3.034,1235 4.067,1236 2.035,1237 9.698,1238 2.866,1239 1.923,1240 1.9,1241 2.067,1242 2.056,1243 1.413,1244 2.061,1245 1.793,1246 1.735,1247 1.942,1248 1.98,1249 1.151,1250 1.964,1251 1.76,1252 1.712,1253 1.827,1254 1.928,1255 0.825,1256 1.916,1257 1.335,1258 1.285,1259 1.58,1260 1.61,1261 0.765,1262 1.575,1263 1.223,1264 1.162,1265 1.513,1266 1.531,1267 0.736,1268 1.541,1269 1.153,1270 1.069,1271 1.501,1272 1.387,1273 0.569,1274 1.429,1275 1.142,1276 1.064,1277 1.347,1278 1.376,1279 0.442,1280 1.398,1281 0.978,1282 0.923,1283 1.192,1284 1.225,1285 0.258,1286 1.199,1287 4.111,1289 5.398,1291 6.88,1293 8.449,1295 10.061,1297 1.545,1298 6.448,1303 6.552,1305 5.257,1306 5.428,1309 2.369,1312 8.733,1313 1.866,1314 31.6,1315 84.662,1316 191.763,1317 234.856,1318 246.366,1319 246.366,1320 246.366,1321 52.869,1322 7.123,1323 103.17,1324 103.17,1325 18,1326 12.292,1327 3.907,1328 3.322,1329 49.837,1330 119,1331 136,1332 0.2,1333 201.589,1334 353.41,1335 483.638,1336 11714,1337 2,1338 19.933,1339 0.712,1340 0.582,1341 20.433,1342 16.291,1343 13.584,1344 0.453,1345 0.312,1346 8.846,1347 12.663,1348 8.623,1349 7.168,1350 13.873,1351 9.355,1352 11.748,1353 0.294,1354 0.172,1355 12.119,1356 6.866,1357 9.621,1358 0.192,1359 0.096,1360 9.975,1361 4.819,1362 7.702,1363 0.124,1364 0.053,1365 7.989,1366 3.285,1367 6.278,1368 0.08,1369 0.03,1370 6.606,1371 2.367,1372 0.319,1373 89.063,1374 0.224,1375 27.192,1376 0.533,1377 140,1378 462.921,1379 171.158,1380 475.861,1381 626.2,1382 442,1383 160,1384 424.002,1385 187.352,1386 440.554,1387 634.21,1388 410,1389 5.1}
{0 CHEMBL207253,1 1.713,2 7,3 3.6,4 12.96,5 82.083,6 8.265,7 0.478,8 3.73,9 3.841,10 3.391,11 3.26,12 4.841,13 3.244,14 4.271,15 4.446,16 3.8,17 3.635,18 5.337,19 3.621,20 4.455,21 4.631,22 3.938,23 3.736,24 5.605,25 3.734,26 4.51,27 4.669,28 3.966,29 3.746,30 5.759,31 3.753,32 4.484,33 4.636,34 3.87,35 3.761,36 5.743,37 3.722,38 4.565,39 4.781,40 3.647,41 3.786,42 5.555,43 3.657,44 4.479,45 4.739,46 3.41,47 3.631,48 5.383,49 3.427,50 4.323,51 4.634,52 2.712,53 3.272,54 5.142,55 2.955,56 0.105,57 0.545,58 6.669,59 3.299,60 5.295,61 4.18,62 0.217,63 0.86,64 14.742,65 5.429,66 15.592,67 7.041,68 0.373,69 0.984,70 20.121,71 6.087,72 26.152,73 7.711,74 0.53,75 1.001,76 19.901,77 6.163,78 35.586,79 7.539,80 0.577,81 0.973,82 19.417,83 6.438,84 54.827,85 7.73,86 0.436,87 1.033,88 22.612,89 7.978,90 42.415,91 10.508,92 0.329,93 0.882,94 22.924,95 7.863,96 34.597,97 11.053,98 0.347,99 0.629,100 26.91,101 7.397,102 42.151,103 10.372,104 29,105 34,106 0.311,107 0.653,108 0.833,109 0.856,110 0.856,111 0.856,112 3.106,113 0.943,114 -3.99,115 -3.94,116 -3.74,119 40.5,120 2,121 1,124 1,125 1,142 3,143 2,144 2,146 1,153 1,157 1,166 2,172 3,174 1,175 9,183 6,187 2,188 9,196 5,199 4,200 9,208 2,212 1,213 9,221 6,225 4,233 6,238 4,246 5,250 1,258 2,272 1,276 475,277 13.991,278 13.991,279 13.991,280 13.991,281 13.991,282 12.508,283 16.228,284 8.132,285 14.32,286 11.288,287 11.288,288 11.288,289 11.288,290 11.288,291 8.944,292 20.445,293 3.784,294 11.88,295 3.496,296 1.611,297 0.622,298 0.494,299 0.494,300 0.494,301 3.778,302 1,304 1,305 1,306 1,307 309,308 2.739,311 32.909,312 78.663,315 59.885,316 67.237,319 0.857,320 22.74,321 1,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 45.833,332 147,333 4.743,334 4.398,335 7.197,336 4.405,337 3.43,338 4.432,339 2.413,340 12.652,341 3.349,342 4.204,343 3.62,344 6.361,345 3.769,346 2.803,347 3.873,348 0.206,349 9.589,350 2.705,351 3.723,352 3.008,353 6.117,354 3.471,355 2.498,356 2.961,358 8.598,359 2.421,360 3.555,361 2.857,362 5.1,363 3.088,364 2.189,365 2.89,367 6.006,368 1.908,369 3.064,370 2.354,371 4.949,372 2.692,373 1.737,374 2.234,376 5.031,377 1.656,378 2.969,379 2.094,380 4.802,381 2.612,382 1.66,383 2.098,385 4.933,386 1.53,387 2.614,388 1.673,389 4.041,390 2.407,391 1.45,392 1.632,394 3.224,395 1.38,396 2.417,397 1.421,398 3.758,399 2.018,400 1.022,401 1.34,403 2.389,404 1.01,405 1.981,406 1.287,407 3.313,408 1.631,409 0.613,410 0.784,412 1.423,413 0.615,414 1.258,415 0.666,416 2.884,417 0.988,418 0.067,419 0.077,421 0.122,422 0.057,423 1.004,424 0.318,425 2.415,426 0.697,427 -0.211,428 -0.247,430 -0.514,431 -0.171,432 0.694,433 0.158,434 2.383,435 0.392,436 -0.571,437 -0.658,439 -1.322,440 -0.524,441 0.64,442 -0.241,443 2.324,444 0.293,445 -0.636,446 -0.712,448 -1.467,449 -0.548,450 0.535,451 -0.392,452 2,453 0.21,454 -0.795,455 -1.089,457 -2.182,458 -0.791,459 0.053,460 -0.699,461 1.906,462 -0.26,463 -1.138,464 -1.309,466 -2.559,467 -0.966,468 10.081,469 0.48,470 0.631,471 0.03,472 25.75,473 1.226,474 12,475 0.571,476 13.75,477 0.655,478 18.09,479 0.861,480 22.919,481 0.619,482 18.196,483 0.866,484 4.979,485 0.237,486 5.061,487 0.241,488 0.253,490 0.427,496 0.557,497 1.289,498 0.583,499 1.023,500 0.56,501 0.945,502 0.926,503 1.146,504 0.573,505 0.788,506 0.604,507 0.706,508 1.251,509 1.069,510 0.872,511 0.853,512 0.983,513 0.756,514 1.436,515 1.044,516 0.856,517 0.865,518 1.221,519 0.837,520 1.36,521 1.06,522 0.958,523 1.007,524 1.366,525 1.071,526 0.911,527 1.073,528 0.93,529 1.079,530 1.047,531 1.191,532 0.514,533 1.067,534 0.937,535 1.197,536 0.72,537 1.281,538 0.757,539 0.845,540 1.409,541 1.194,542 0.958,543 1.21,544 4,546 2.667,547 2.507,548 2.125,549 1.025,550 0.584,551 0.333,552 0.045,554 3424,555 10296,556 2.018,557 43.2,558 3,559 8,563 3,564 2,567 1.644,568 1.826,569 2.774,570 -0.704,572 1,574 1,577 63.392,578 1.713,579 3.598,580 4.587,581 4.716,582 4.716,583 4.716,584 2.16,585 4.011,586 4.36,587 2.876,588 603.881,589 7.536,590 6141.85,591 1,592 1,593 1,594 1,595 192.75,596 1.545,597 4.289,598 0.174,600 0.078,601 0.066,602 0.056,603 0.032,604 0.024,605 0.022,606 0.009,608 0.462,609 0.67,610 1,611 1.33,612 90.926,613 0.148,614 -0.077,615 0.044,616 -0.063,617 -0.037,618 -0.032,619 -0.034,620 -0.047,621 0.182,622 0.147,623 0.044,624 0.221,625 -0.101,626 0.025,627 0.037,628 0.065,629 -0.036,630 0.134,631 -0.048,632 0.044,633 -0.025,634 0.025,635 0.06,636 0.015,637 -0.081,638 0.005,639 -0.145,640 -0.079,641 0.021,642 -0.19,643 -0.079,644 -0.091,645 -0.114,646 -0.118,647 -0.135,648 -0.214,649 0.091,650 -0.157,651 -0.005,652 -0.2,653 -0.007,654 -0.237,655 -0.005,656 -0.103,657 -0.099,658 -0.131,659 -0.054,660 -0.096,661 1.732,662 5.72,663 0.619,664 13.696,665 1.013,666 1.129,667 2.762,668 7.628,669 0.679,670 3.178,671 3.555,672 3.912,673 4.29,674 4.575,675 4.71,676 4.844,677 4.905,678 4.875,679 4.595,680 4.314,681 0.649,682 305.79,683 3.178,684 4.745,685 5.638,686 6.569,687 7.494,688 8.435,689 9.37,690 10.314,691 11.254,692 12.198,693 8.1,701 2,703 1,709 3,710 1,714 6,715 1,716 11,721 1,734 1,735 37,737 12,738 1,739 23,741 39,742 15,743 9,744 3,745 3,746 1,748 3,749 6,750 1,754 2,760 1,762 10,763 5,767 1,772 1,776 1,779 1,780 1,783 16,784 4,786 6,787 1,792 3,797 0.333,798 2,807 1,815 1,816 2,819 1,820 1,843 1,847 3,848 1,851 21,858 2,861 1,864 1,873 1,874 5.4,877 1,878 1,881 11.5,882 7.826,883 4.639,884 2.391,886 2.281,887 1.325,888 0.971,889 3.675,890 9.298,891 3.418,892 4.056,893 4.697,894 5.335,895 5.83,896 6.143,897 6.534,898 6.88,899 7.177,900 7.249,901 0.8,902 38,903 7.766,905 3.32,906 7.799,907 14.695,909 11.97,911 2.299,912 48.278,916 188.338,917 84.449,918 24.178,919 39.149,920 36.364,923 84.449,924 263.85,925 24.178,926 26.047,927 7.127,928 28.429,929 58.16,930 25.228,932 188.338,933 39.149,934 188.338,935 108.627,936 36.364,937 39.149,939 164.795,940 48.687,941 11.219,943 37.377,944 54.587,945 55.812,947 188.338,948 60.542,949 123.598,952 188.338,953 29.974,954 61.991,956 92.175,957 188.338,958 60.542,959 123.598,961 0.586,962 0.359,963 0.216,964 0.132,965 18,966 9,967 0.077,968 3,969 2,970 1.308,971 3.095,972 174.614,973 0.308,974 13,975 92.239,981 14.419,982 5.353,983 2.227,985 58.765,986 5.234,987 4.348,991 3.704,992 1.676,994 372.477,995 29.5,1000 12.72,1004 -0.065,1007 37.469,1008 41.764,1009 0.329,1010 0.691,1011 0.881,1012 0.905,1013 0.905,1014 0.905,1015 4.689,1016 1.022,1017 5.666,1018 3.224,1019 4.234,1020 4.741,1021 2.48,1022 6.589,1023 4.147,1024 5.927,1025 0.613,1026 7.295,1027 2.389,1028 4.007,1029 4.732,1030 1.404,1031 7.706,1032 3.871,1033 7.271,1034 0.067,1035 9.027,1036 1.423,1037 5.922,1038 6.989,1039 4.08,1040 10.903,1041 5.775,1042 8.655,1043 -0.211,1044 10.82,1045 0.122,1046 6.509,1047 7.795,1048 3.368,1049 12.857,1050 6.337,1051 10.073,1052 -0.571,1053 12.65,1054 -0.514,1055 7.948,1056 9.565,1057 5.76,1058 15.598,1059 7.759,1060 11.516,1061 -0.636,1062 14.508,1063 -1.322,1064 8.899,1065 10.735,1066 5.359,1067 17.894,1068 8.694,1069 12.98,1070 -0.795,1071 16.386,1072 -1.467,1073 10.176,1074 12.321,1075 7.459,1076 20.489,1077 9.952,1078 3.43,1079 -1.138,1080 18.279,1081 -2.182,1082 11.285,1083 13.655,1084 7.293,1085 22.924,1086 11.042,1087 2.803,1088 12.652,1089 20.185,1090 -2.559,1091 12.514,1092 15.171,1093 9.166,1094 25.474,1095 12.251,1096 2.498,1097 9.589,1098 22.101,1099 4.432,1100 13.688,1101 16.58,1102 9.182,1103 27.967,1104 13.405,1105 2.189,1106 8.598,1107 24.025,1108 3.873,1109 14.907,1110 18.069,1111 10.88,1112 30.504,1113 14.602,1114 1.737,1115 6.006,1116 25.955,1117 2.961,1118 16.11,1119 19.514,1120 11.04,1121 33.021,1122 15.784,1123 1.66,1124 5.031,1125 27.892,1126 2.89,1127 17.33,1128 20.994,1129 12.599,1130 35.556,1131 16.981,1132 1.45,1133 4.933,1134 29.833,1135 2.234,1136 18.546,1137 22.456,1138 12.877,1139 38.084,1140 18.175,1141 3496,1142 6194,1143 14.74,1144 25.114,1145 35.452,1146 38.147,1147 38.06,1148 35.117,1149 34.938,1150 44.639,1151 5.237,1152 107.936,1153 33.263,1154 5.614,1155 6.398,1156 7.056,1157 5.456,1158 5.43,1159 7.432,1160 4.631,1161 20.652,1162 5.349,1163 12.128,1164 1.541,1165 1.659,1166 1.655,1167 1.527,1168 1.519,1169 1.941,1170 0.228,1171 4.693,1172 1.446,1173 4.088,1174 4.122,1175 4.103,1176 3.968,1177 7.427,1178 3.984,1179 3.785,1180 3.825,1181 3.87,1182 3.667,1183 4.982,1184 3.678,1185 3.601,1186 3.669,1187 3.448,1188 3.424,1189 4.86,1190 3.41,1191 3.254,1192 3.334,1193 3.354,1194 3.027,1195 4.564,1196 3.042,1197 3.171,1198 3.218,1199 3.118,1200 2.992,1201 4.205,1202 2.986,1203 3.052,1204 3.106,1205 2.916,1206 2.828,1207 3.937,1208 2.828,1209 2.836,1210 2.92,1211 2.796,1212 2.618,1213 3.879,1214 2.603,1215 2.691,1216 2.775,1217 2.517,1218 2.521,1219 3.618,1220 2.491,1221 0.206,1222 0.191,1223 0.313,1224 0.192,1225 0.149,1226 4.743,1227 0.193,1228 4.398,1229 0.105,1230 7.197,1231 0.55,1232 4.405,1233 0.146,1234 3.43,1235 4.432,1236 2.413,1237 12.652,1238 3.349,1239 1.945,1240 1.931,1241 1.997,1242 2.048,1243 1.167,1244 2.034,1245 1.604,1246 1.545,1247 1.896,1248 1.82,1249 1.12,1250 1.842,1251 1.555,1252 1.518,1253 1.741,1254 1.785,1255 0.851,1256 1.772,1257 1.487,1258 1.397,1259 1.699,1260 1.673,1261 0.768,1262 1.691,1263 1.084,1264 1.023,1265 1.361,1266 1.338,1267 0.47,1268 1.353,1269 0.974,1270 0.914,1271 1.307,1272 1.278,1273 0.417,1274 1.279,1275 0.847,1276 0.762,1277 1.112,1278 1.065,1279 0.205,1280 1.094,1281 0.606,1282 0.567,1283 0.81,1284 0.883,1286 0.886,1287 3.85,1289 5.209,1290 2.398,1291 6.781,1292 4.844,1293 8.466,1294 7.034,1295 10.219,1297 5.667,1298 6.034,1303 1.43,1306 5.845,1309 1.686,1314 24.009,1315 63.392,1316 133.134,1317 169.73,1318 174.485,1319 174.485,1320 174.485,1321 35.923,1322 7.018,1323 49.05,1324 49.05,1325 17,1326 12.692,1327 3.7,1328 2.907,1329 31.73,1330 55,1331 64,1332 0.31,1333 151.619,1334 259.13,1335 361.711,1336 8500,1337 2.7,1338 15.146,1339 0.721,1340 0.616,1341 15.646,1342 12.938,1343 10.041,1344 0.437,1345 0.314,1346 6.771,1347 9.285,1348 6.491,1349 5.424,1350 10.33,1351 7.229,1352 9.256,1353 0.272,1354 0.161,1355 9.664,1356 5.462,1357 7.937,1358 0.162,1359 0.075,1360 8.199,1361 3.693,1362 7.237,1363 0.101,1364 0.038,1365 7.457,1366 2.746,1367 6.101,1368 0.064,1369 0.02,1370 6.392,1371 1.951,1372 0.45,1373 66.512,1374 0.26,1375 19.843,1376 0.976,1377 114,1378 358.61,1379 142.105,1380 370.46,1381 504.48,1382 346,1383 140,1384 365.927,1385 165.146,1386 372.706,1387 554.04,1388 351,1389 5.1}
{0 CHEMBL207400,1 2.158,2 6.524,3 3.407,4 11.609,5 69.07,6 11.345,7 0.478,8 3.542,9 3.621,10 3.414,11 3.04,12 4.926,13 3.11,14 4.078,15 4.191,16 3.956,17 3.442,18 5.994,19 3.533,20 4.227,21 4.334,22 4.022,23 3.559,24 5.837,25 3.641,26 4.348,27 4.46,28 4.08,29 3.515,30 6.023,31 3.634,32 4.305,33 4.42,34 4.006,35 3.335,36 6.321,37 3.45,38 4.203,39 4.39,40 3.647,41 3.066,42 6.096,43 3.148,44 3.651,45 3.851,46 3.192,47 2.593,48 5.286,49 2.637,50 3.233,51 3.444,52 3.156,53 1.965,54 5.258,55 2.095,56 0.37,57 0.659,58 1.088,59 2.35,60 58.342,61 1.734,62 0.963,63 1.339,64 5.109,65 3.929,66 161.149,67 2.873,68 0.791,69 1.086,70 6.721,71 4.44,72 102.262,73 3.443,74 1.015,75 1.179,76 6.475,77 4.895,78 148.211,79 3.538,80 1.335,81 1.077,82 7.789,83 5.102,84 230.838,85 3.768,86 1.522,87 0.918,88 13.647,89 5.203,90 250.362,91 3.788,92 0.777,93 0.623,94 9.126,95 3.308,96 113.429,97 2.737,98 0.638,99 0.296,100 10.334,101 2.491,102 87.225,103 2.218,104 51,105 37,106 0.416,107 0.782,108 0.828,109 0.861,110 0.861,111 0.861,112 3.107,113 0.791,114 -3.88,115 -3.84,116 -3.65,119 42.9,124 1,132 1,142 3,143 2,144 2,146 1,153 1,157 1,166 1,168 1,172 2,174 1,175 7,183 5,187 1,188 3,191 1,193 3,196 5,199 3,200 4,203 1,205 2,208 1,213 7,216 1,221 2,225 1,230 1,238 2,276 446,277 13.179,278 13.179,279 13.179,280 13.179,281 13.179,282 11.786,283 16.962,284 7.161,285 13.704,286 11.297,287 11.297,288 11.297,289 11.297,290 11.297,291 8.992,292 22.451,293 3.372,294 12.27,295 2.649,296 0.751,297 0.509,298 0.34,299 0.34,300 0.34,301 3.768,302 1,305 1,306 1,307 288,308 3.24,311 33.431,312 77.997,315 57.96,316 66.22,319 1.07,320 52.703,323 1,324 0.83,325 1,326 0.4,328 1,329 1,330 0.75,331 50.333,332 137,333 4.809,334 4.48,335 7.428,336 4.479,337 3.538,338 4.477,339 3.825,340 13.233,341 3.377,342 4.355,343 4.207,344 6.907,345 4.052,346 3.158,347 3.918,348 1.812,349 11.251,350 2.836,351 4.001,352 3.558,353 6.272,354 3.619,355 2.691,356 3.246,358 9.223,359 2.455,360 3.635,361 2.959,362 5.951,363 3.333,364 2.354,365 2.931,367 7.95,368 2.251,369 3.498,370 2.777,371 5.065,372 3.053,373 2.17,374 2.74,376 5.969,377 1.85,378 2.93,379 2.252,380 4.831,381 2.564,382 1.608,383 2.061,385 4.807,386 1.511,387 2.719,388 1.808,389 4.656,390 2.271,391 1.345,392 1.786,394 4.26,395 1.22,396 2.426,397 1.442,398 3.844,399 1.932,400 0.954,401 1.328,403 2.492,404 0.918,405 1.954,406 1.292,407 3.67,408 1.511,409 0.491,410 0.682,412 1.315,413 0.491,414 1.098,415 0.602,416 3.019,417 0.697,418 -0.178,419 -0.213,421 -0.436,422 -0.129,423 0.701,424 0.51,425 2.615,426 0.388,427 -0.554,428 -0.632,430 -1.369,431 -0.489,432 0.645,433 0.51,434 2.367,435 0.21,436 -0.78,437 -1,439 -2.204,440 -0.7,441 0.373,442 0.199,443 2.269,444 0.06,445 -0.919,446 -1,448 -2.788,449 -0.7,450 0.043,451 -0.377,452 2,453 -0.3,454 -1,455 -1.006,457 -3,458 -0.728,460 -0.51,461 2,462 -0.3,463 -1,464 -1.165,466 -3,467 -0.901,468 9.438,469 0.449,470 0.958,471 0.046,472 26.25,473 1.25,474 12,475 0.571,476 14.25,477 0.679,478 16.194,479 0.771,480 23.562,481 0.841,482 22.279,483 1.061,484 5.451,485 0.26,486 4.264,487 0.203,488 0.29,489 0.053,490 0.456,493 3,496 0.626,497 0.897,498 0.482,499 0.81,500 0.672,501 0.744,502 0.546,503 0.706,504 0.471,505 0.661,506 0.437,507 0.58,508 0.701,509 0.764,510 0.868,511 0.988,512 0.662,513 0.931,514 0.902,515 0.906,516 0.804,517 1.046,518 0.977,519 1.018,520 0.882,521 0.995,522 0.822,523 1.113,524 0.937,525 1.183,526 1.476,527 1.192,528 1.243,529 0.822,530 1.484,531 1.051,532 1.619,533 1.523,534 1.68,535 1.31,536 1.589,537 1.358,538 1.338,539 1.555,540 1.27,541 1.406,542 1.392,543 0.948,544 6,546 3.333,547 2.688,548 3.02,549 1.021,550 0.487,551 0.306,552 0.061,554 3312,555 17150,556 1.952,557 25,559 6,562 1,567 1.643,568 1.714,569 2.707,570 -0.104,572 1,574 1,577 60.425,578 2.158,579 4.057,580 4.298,581 4.468,582 4.468,583 4.468,584 2.167,585 4.071,586 4.367,587 2.825,588 593.302,589 7.537,590 5954.24,591 1,592 1,593 1,594 1,595 134.606,596 1.717,597 4.245,598 0.261,600 0.09,601 0.067,602 0.075,603 0.032,604 0.024,605 0.028,606 0.009,608 0.586,609 0.5,610 1,611 0.947,612 90.358,613 -0.025,614 -0.032,615 -0.013,616 0.049,617 -0.107,618 0.03,619 0.243,620 0.296,621 0.154,622 0.23,623 0.338,624 0.242,625 -0.028,626 0.028,627 -0.124,628 -0.121,629 -0.018,630 -0.101,631 -0.077,632 -0.086,633 -0.08,634 -0.186,635 -0.135,636 -0.179,637 0.146,638 -0.102,639 0.051,640 -0.178,641 0.141,642 -0.247,643 -0.21,644 -0.082,645 -0.104,646 0.216,647 -0.175,648 0.081,649 -0.361,650 -0.295,651 -0.18,652 -0.161,653 -0.372,654 -0.137,655 0.181,656 -0.274,657 0.854,658 -0.104,659 0.077,660 0.488,661 6.058,662 5.337,663 0.619,664 12.154,665 1.084,666 1.162,667 2.653,668 7.04,669 0.702,670 3.178,671 3.638,672 3.951,673 4.317,674 4.625,675 4.745,676 4.82,677 4.956,678 4.905,679 4.787,680 4.185,681 0.735,682 317.67,683 3.178,684 4.796,685 5.694,686 6.65,687 7.578,688 8.534,689 9.472,690 10.427,691 11.371,692 12.325,693 10.7,701 2,703 1,709 3,710 1,714 6,715 1,716 11,721 1,734 1,735 28,737 12,738 1,739 23,741 30,742 12,743 9,744 3,745 3,746 1,748 3,749 6,750 1,754 1,759 1,762 10,763 2,767 1,772 1,776 1,780 1,781 3,783 7,784 7,785 1,786 9,787 1,792 3,797 0.333,798 2,807 1,815 1,816 2,819 1,820 1,841 1,843 1,847 1,848 1,849 3,851 21,857 1,864 1,865 1,873 4,874 7.1,875 1,877 1,881 12.25,882 5.538,883 4.306,884 1.484,886 2.319,887 1.329,888 0.973,889 2.974,890 9.363,891 3.418,892 4.107,893 4.742,894 5.377,895 5.903,896 6.212,897 6.541,898 6.945,899 7.249,900 7.425,901 1,902 40,903 8.492,905 4.562,906 8.787,907 13.477,909 11.294,911 3.287,912 69.028,916 70.627,917 67.431,918 18.44,919 39.149,920 67.951,921 44.88,923 67.431,924 177.726,925 63.32,926 8.396,928 71.234,929 46.941,930 64.37,932 70.627,933 46.908,934 70.627,935 85.871,936 112.831,937 39.149,939 70.627,940 70.025,941 42.806,943 14.621,944 54.587,945 55.812,947 115.507,948 86.39,949 106.58,952 78.386,953 22.847,954 38.602,956 168.643,957 70.627,958 131.271,959 106.58,961 0.623,962 0.366,963 0.205,964 0.127,965 21,966 11,969 2,970 1.308,971 2.987,972 179.459,973 0.308,974 13,975 87.484,981 14.233,982 4.388,983 1.997,985 129.494,986 3.972,987 3.306,991 -2.25,992 0.813,993 42.806,994 308.477,995 29.5,1000 12.337,1004 -0.881,1007 30.356,1008 32.538,1009 0.449,1010 0.844,1011 0.894,1012 0.929,1013 0.929,1014 0.929,1015 4.743,1016 0.954,1017 5.796,1018 4.26,1019 4.317,1020 4.792,1021 3.269,1022 6.772,1023 4.177,1024 6.033,1025 0.491,1026 7.474,1027 2.492,1028 4.369,1029 4.924,1030 3.963,1031 8.106,1032 4.075,1033 7.413,1034 -0.178,1035 9.255,1036 1.315,1037 6.129,1038 7.076,1039 5.484,1040 11.22,1041 5.862,1042 8.825,1043 -0.554,1044 11.095,1045 -0.436,1046 6.899,1047 7.943,1048 6.707,1049 13.293,1050 6.508,1051 10.266,1052 -0.78,1053 12.969,1054 -1.369,1055 8.276,1056 9.671,1057 8.071,1058 16.022,1059 7.884,1060 11.728,1061 -0.919,1062 14.868,1063 -2.204,1064 9.325,1065 10.865,1066 9.393,1067 18.383,1068 8.848,1069 13.206,1070 -1,1071 16.784,1072 -2.788,1073 10.591,1074 12.436,1075 10.737,1076 20.993,1077 10.09,1078 3.538,1079 -1,1080 18.713,1081 -3,1082 11.752,1083 13.783,1084 12.075,1085 23.472,1086 11.19,1087 3.158,1088 13.233,1089 20.653,1090 -3,1091 12.99,1092 15.295,1093 13.417,1094 26.047,1095 12.394,1096 2.691,1097 11.251,1098 22.602,1099 4.477,1100 14.197,1101 16.714,1102 14.758,1103 28.577,1104 13.553,1105 2.354,1106 9.223,1107 24.557,1108 3.918,1109 15.432,1110 18.206,1111 16.1,1112 31.144,1113 14.75,1114 2.17,1115 7.95,1116 26.519,1117 3.246,1118 16.66,1119 19.659,1120 17.441,1121 33.696,1122 15.935,1123 1.608,1124 5.969,1125 28.485,1126 2.931,1127 17.899,1128 21.146,1129 18.783,1130 36.264,1131 17.136,1132 1.345,1133 4.807,1134 30.455,1135 2.74,1136 19.138,1137 22.617,1138 20.124,1139 38.828,1140 18.334,1141 3398,1142 7826,1143 14.046,1144 19.642,1145 37.566,1146 38.952,1147 39.335,1148 37.039,1149 36.621,1150 46.338,1151 11.275,1152 121,1153 33.818,1154 5.683,1155 6.48,1156 6.713,1157 5.529,1158 5.538,1159 7.477,1160 5.335,1161 21.233,1162 5.377,1163 13.949,1164 1.633,1165 1.694,1166 1.71,1167 1.61,1168 1.592,1169 2.015,1170 0.49,1171 5.261,1172 1.47,1173 4.089,1174 4.123,1175 4.109,1176 3.965,1177 8.513,1178 3.983,1179 3.796,1180 3.831,1181 3.89,1182 3.666,1183 7.999,1184 3.684,1185 3.347,1186 3.409,1187 3.448,1188 3.027,1189 7.999,1190 3.059,1191 3.217,1192 3.244,1193 3.292,1194 2.984,1195 7.427,1196 3.034,1197 3.045,1198 3.081,1199 3.088,1200 2.821,1201 6.473,1202 2.829,1203 2.749,1204 2.822,1205 2.765,1206 2.516,1207 4.926,1208 2.531,1209 2.679,1210 2.721,1211 2.584,1212 2.341,1213 4.814,1214 2.397,1215 2.362,1216 2.395,1217 2.378,1218 1.945,1219 4.24,1220 2.026,1221 0.209,1222 0.195,1223 0.323,1224 0.195,1225 0.154,1226 4.809,1227 0.195,1228 4.48,1229 0.166,1230 7.428,1231 0.575,1232 4.479,1233 0.147,1234 3.538,1235 4.477,1236 3.825,1237 13.233,1238 3.377,1239 1.943,1240 1.929,1241 1.99,1242 2.043,1243 1.15,1244 2.028,1245 1.532,1246 1.516,1247 1.704,1248 1.802,1249 0.799,1250 1.763,1251 1.472,1252 1.39,1253 1.537,1254 1.684,1255 0.659,1256 1.64,1257 1.021,1258 0.986,1259 1.15,1260 1.34,1261 0.205,1262 1.288,1263 0.935,1264 0.888,1265 1.128,1266 1.23,1267 0.169,1268 1.175,1269 0.593,1270 0.55,1271 0.745,1272 0.914,1274 0.895,1275 0.534,1276 0.493,1277 0.725,1278 0.836,1280 0.796,1281 0.295,1282 0.216,1283 0.518,1284 0.715,1286 0.69,1287 3.85,1289 5.273,1290 2.398,1291 6.884,1292 4.844,1293 8.59,1294 7.081,1295 10.351,1297 1.214,1298 5.756,1299 38.972,1302 10.092,1309 0.505,1310 -4.808,1314 20.578,1315 60.425,1316 113.586,1317 120.341,1318 125.096,1319 125.096,1320 125.096,1321 58.38,1322 7.044,1323 60.05,1324 60.05,1325 17,1326 12.814,1327 3.7,1328 2.907,1329 31.776,1330 54,1331 51,1332 0.32,1333 126.437,1334 225.44,1335 300.266,1336 8598,1337 14.3,1338 15.525,1339 0.739,1340 0.533,1341 13.525,1342 11.197,1343 9.714,1344 0.422,1345 0.264,1346 5.552,1347 8.729,1348 5.458,1349 4.431,1350 8.792,1351 6.068,1352 10.304,1353 0.278,1354 0.133,1355 8.717,1356 4.907,1357 8.086,1358 0.159,1359 0.066,1360 7.547,1361 3.38,1362 7.156,1363 0.097,1364 0.033,1365 6.893,1366 2.461,1367 6.342,1368 0.063,1369 0.017,1370 5.619,1371 1.736,1372 0.462,1373 66.555,1374 0.267,1375 19.66,1376 1.016,1377 120,1378 611.357,1379 163.349,1380 533.245,1381 681.66,1382 488,1383 148,1384 463.945,1385 182.363,1386 453.445,1387 691.87,1388 424,1389 5.1}
{0 CHEMBL207995,1 1.927,2 10.696,3 1.476,4 2.177,5 81.716,6 10.053,7 0.5,8 3.631,9 3.723,10 3.423,11 3.144,12 5.037,13 3.19,14 4.059,15 4.184,16 3.757,17 3.453,18 5.458,19 3.486,20 4.224,21 4.352,22 3.88,23 3.574,24 5.674,25 3.593,26 4.281,27 4.428,28 3.844,29 3.486,30 5.801,31 3.502,32 4.239,33 4.41,34 3.693,35 3.348,36 5.746,37 3.365,38 4.096,39 4.275,40 3.614,41 3.272,42 5.557,43 3.271,44 4.043,45 4.216,46 3.37,47 3.19,48 5.478,49 3.18,50 3.809,51 3.961,52 3.423,53 3.056,54 5.548,55 3.069,56 0.186,57 0.508,58 2.894,59 2.319,60 14.236,61 2.078,62 0.445,63 0.717,64 7.368,65 3.748,66 40.426,67 3.514,68 0.51,69 0.816,70 9.192,71 4.379,72 51.082,73 3.818,74 0.637,75 0.773,76 14.019,77 5.09,78 69.142,79 4.928,80 0.792,81 0.712,82 14.547,83 4.74,84 83.063,85 4.837,86 0.548,87 0.628,88 12.004,89 4.343,90 60.867,91 4.663,92 0.6,93 0.559,94 16.117,95 4.192,96 85.528,97 3.919,98 0.462,99 0.49,100 7.5,101 2.925,102 69.592,103 3.104,104 35,105 32,106 0.353,107 0.767,108 0.864,109 0.898,110 0.898,111 0.898,112 3.187,113 0.822,114 -1.36,115 -1.44,116 -1.5,119 42.4,124 1,142 2,143 1,144 3,145 2,146 1,147 1,155 1,158 1,159 1,172 1,175 2,178 3,179 1,180 1,183 3,187 2,188 3,191 2,193 1,196 2,199 2,200 3,203 1,205 3,212 3,213 2,216 2,218 1,225 3,228 2,230 2,237 1,238 2,249 3,250 3,253 2,264 2,276 732,277 15.489,278 15.489,279 15.489,280 15.489,281 15.489,282 13.689,283 19.839,284 9.063,285 15.976,286 11.631,287 11.631,288 11.631,289 11.631,290 11.631,291 8.688,292 25.162,293 4.047,294 12.368,295 3.118,296 0.86,297 0.326,298 0.144,299 0.144,300 0.144,301 3.848,302 1,304 1,305 1,306 1,307 502,308 3.317,312 169.769,319 1.561,320 32.981,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 51.833,332 246,333 4.39,334 4.057,335 6.315,336 3.972,337 3.02,338 4.078,339 2.035,340 9.642,341 2.861,342 4.115,343 3.576,344 5.807,345 3.637,346 2.694,347 3.698,348 1.656,349 7.858,350 2.534,351 3.838,352 3.297,353 5.542,354 3.433,355 2.482,356 3.174,357 0.86,358 7.486,359 2.351,360 3.694,361 2.9,362 5.221,363 3.238,364 2.287,365 2.965,366 0.247,367 6.57,368 2.164,369 3.399,370 2.642,371 4.826,372 2.891,373 1.938,374 2.559,376 5.437,377 1.835,378 3.073,379 2.632,380 4.51,381 2.612,382 1.657,383 2.244,385 4.569,386 1.523,387 2.926,388 2.201,389 3.657,390 1.933,391 1.011,392 1.5,394 2.275,395 0.915,396 2.5,397 1.908,398 3.414,399 1.917,400 1,401 1.24,403 2.257,404 0.867,405 2.421,406 1.414,407 2.95,408 1.507,409 0.579,410 1.068,412 0.957,413 0.534,414 1.88,415 1,416 2.795,417 1.444,418 0.467,419 0.619,421 0.674,422 0.445,423 1.349,424 0.759,425 2.646,426 0.935,432 1.233,433 0.632,434 2.489,435 0.761,436 -0.19,437 -0.26,439 -0.322,440 -0.16,441 0.942,442 0.374,443 2.165,444 0.482,445 -0.392,446 -0.512,448 -0.927,449 -0.306,450 0.668,451 -0.044,452 2,453 0.152,454 -0.835,455 -1.172,457 -1.908,458 -0.788,459 0.547,460 -0.486,461 1.862,462 0.117,463 -0.88,464 -1.277,466 -2.214,467 -0.865,468 10.714,469 0.466,470 0.52,471 0.023,472 35,473 1.522,474 19.5,475 0.848,476 15.5,477 0.674,478 13.497,479 0.587,480 24.086,481 0.73,482 25.479,483 1.108,484 7.214,485 0.314,486 3.853,487 0.168,488 0.213,490 0.327,496 0.82,497 1.392,498 0.541,499 0.967,500 0.559,501 0.805,502 0.929,503 0.994,504 0.68,505 0.742,506 0.659,507 0.746,508 1.087,509 1.034,510 1.042,511 0.985,512 0.883,513 0.999,514 1.056,515 1.139,516 1.148,517 1.309,518 0.952,519 1.204,520 0.964,521 0.897,522 0.945,523 0.951,524 1.085,525 0.991,526 0.891,527 1.005,528 0.838,529 1.068,530 0.928,531 1.035,532 1.563,533 0.868,534 1.641,535 1.017,536 1.642,537 1.039,538 0.698,539 0.843,540 0.786,541 0.835,542 0.526,543 0.908,544 5.5,545 0.091,546 2.444,547 1.5,548 1.507,549 0.813,550 0.446,551 0.243,552 0.193,553 0.158,554 5348,555 23616,556 1.946,557 30.3,559 5,561 3,562 2,567 1.655,568 1.792,569 3.358,570 0.45,572 1,574 1,577 63.578,578 1.927,579 4.185,580 4.718,581 4.9,582 4.9,583 4.9,584 2.856,585 4.263,586 4.493,587 3.504,588 886.585,589 7.729,590 10294.4,591 1,592 1,594 1,595 166.465,596 1.51,597 4.433,598 0.229,599 0.008,600 0.076,601 0.044,602 0.05,603 0.031,604 0.019,605 0.012,606 0.01,607 0.011,608 0.49,609 0.33,610 1,611 1.059,612 108.826,613 -0.147,614 -0.256,615 -0.005,616 -0.089,617 -0.04,618 -0.016,619 -0.054,620 0.067,621 0.037,622 0.172,623 -0.025,624 0.117,625 -0.185,626 0.023,627 -0.166,628 -0.062,629 -0.124,630 -0.146,631 -0.027,632 -0.198,633 -0.085,634 -0.322,635 -0.004,636 -0.238,637 0.17,638 0.012,639 0.044,640 0.023,641 0.003,642 0.02,643 0.088,644 -0.098,645 0.184,646 -0.067,647 0.054,648 0.025,649 -0.395,650 -0.004,651 -0.358,652 0.03,653 -0.373,654 0.012,655 0.318,656 0.139,657 0.127,658 0.114,659 0.444,660 0.041,661 2.28,662 4.947,663 0.522,664 19.456,665 1.044,666 1.131,667 0.13,668 0.017,669 0.713,670 3.219,671 3.497,672 3.714,673 3.892,674 4.078,675 4.043,676 3.951,677 3.892,678 3.761,679 3.912,680 6.106,681 0.717,682 331.74,683 3.219,684 4.727,685 5.549,686 6.402,687 7.242,688 8.098,689 8.944,690 9.801,691 10.65,692 11.508,693 15.2,700 2,702 1,703 2,709 4,710 2,714 6,716 12,717 1,718 1,733 1,734 1,735 33,737 15,738 1,739 24,741 34,742 14,743 10,744 4,745 2,746 1,748 2,749 2,750 1,753 1,761 1,762 12,763 1,767 2,772 2,774 1,776 1,779 1,780 1,783 10,784 8,785 2,786 9,787 1,792 5,797 1,798 3,806 1,816 2,843 2,847 1,848 1,851 23,860 2,861 1,866 1,870 1,872 1,873 1,874 9.1,877 2,879 1,881 12.833,882 6.41,883 5.389,884 1.645,886 2.436,887 1.376,888 0.938,889 5.476,890 8.905,891 3.555,892 4.078,893 4.62,894 5.122,895 5.617,896 5.746,897 5.834,898 5.89,899 5.668,900 6.188,901 1,902 34,903 8.37,905 3.453,906 8.316,907 14.909,909 11.187,911 2.816,912 64.778,916 94.169,917 100.003,918 100.652,919 39.149,920 61.29,923 100.003,924 194.607,925 100.652,926 10.883,927 36.022,928 18.952,929 147.2,930 77.597,931 6.604,932 58.856,933 39.149,934 94.169,935 200.655,936 61.29,937 39.149,939 94.169,940 61.29,943 87.932,944 67.727,945 84.144,947 94.169,948 161.942,949 139.152,952 94.169,953 24.047,954 59.355,955 52.623,956 165.069,957 94.169,958 161.942,959 139.152,961 0.566,962 0.341,963 0.178,964 0.096,965 13,966 7,967 0.118,968 4,970 1,971 3.463,972 168.993,974 12,975 104.042,981 16.691,982 7.546,983 4.163,985 161.942,986 5.282,987 7.635,991 1.27,993 36.022,994 395.262,995 34,1000 22.792,1002 0.584,1004 -0.614,1007 34.465,1008 37.309,1009 0.382,1010 0.83,1011 0.935,1012 0.971,1013 0.971,1014 0.971,1015 4.771,1016 1,1017 5.525,1018 2.275,1019 4.174,1020 4.762,1021 2.745,1022 6.29,1023 4.056,1024 5.983,1025 0.579,1026 7.064,1027 2.257,1028 3.761,1029 4.543,1030 1.195,1031 7.111,1032 3.575,1033 7.281,1034 0.467,1035 8.695,1036 0.957,1037 5.733,1038 6.925,1039 3.841,1040 10.128,1041 5.511,1042 8.61,1044 10.376,1045 0.674,1046 6.089,1047 7.48,1048 2.324,1049 11.701,1050 5.793,1051 9.965,1052 -0.19,1053 12.09,1055 7.537,1056 9.341,1057 5.126,1058 14.244,1059 7.208,1060 11.337,1061 -0.392,1062 13.824,1063 -0.322,1064 8.252,1065 10.264,1066 3.407,1067 16.158,1068 7.849,1069 12.724,1070 -0.835,1071 15.573,1072 -0.927,1073 9.484,1074 11.896,1075 6.48,1076 18.524,1077 9.045,1078 3.02,1079 -0.88,1080 17.334,1081 -1.908,1082 10.38,1083 13.019,1084 4.464,1085 20.607,1086 9.871,1087 2.694,1088 9.642,1089 19.104,1090 -2.214,1091 11.519,1092 14.538,1093 7.863,1094 22.904,1095 10.969,1096 2.482,1097 7.858,1098 20.882,1099 4.078,1100 12.507,1101 15.774,1102 5.504,1103 25.073,1104 11.893,1105 2.287,1106 7.486,1107 22.667,1108 3.698,1109 13.609,1110 17.233,1111 9.26,1112 27.344,1113 12.949,1114 1.938,1115 6.57,1116 24.458,1117 3.174,1118 14.645,1119 18.535,1120 6.531,1121 29.557,1122 13.925,1123 1.657,1124 5.437,1125 26.254,1126 2.965,1127 15.735,1128 19.962,1129 10.666,1130 31.819,1131 14.965,1132 1.011,1133 4.569,1134 28.055,1135 2.559,1136 16.796,1137 21.302,1138 7.551,1139 34.056,1140 15.969,1141 5476,1142 11614,1143 15.315,1144 23.534,1145 36.139,1146 39.606,1147 36.743,1148 34.416,1149 34.269,1150 46.288,1151 9.596,1152 95.45,1153 32.058,1154 5.263,1155 6.057,1156 5.868,1157 5.041,1158 5.02,1159 7.078,1160 4.069,1161 16.351,1162 4.861,1163 13.613,1164 1.506,1165 1.65,1166 1.531,1167 1.434,1168 1.428,1169 1.929,1170 0.4,1171 3.977,1172 1.336,1173 3.962,1174 3.984,1175 4.041,1176 3.877,1177 7.453,1178 3.882,1179 3.853,1180 3.898,1181 3.836,1182 3.681,1183 7.431,1184 3.713,1185 3.47,1186 3.51,1187 3.498,1188 3.209,1189 6.821,1190 3.259,1191 3.299,1192 3.342,1193 3.337,1194 3.046,1195 4.962,1196 3.077,1197 3.171,1198 3.224,1199 3.176,1200 2.948,1201 4.93,1202 2.961,1203 3.047,1204 3.078,1205 3.065,1206 2.798,1207 4.627,1208 2.84,1209 2.783,1210 2.835,1211 2.849,1212 2.656,1213 4.148,1214 2.63,1215 2.702,1216 2.792,1217 2.578,1218 2.473,1219 4.036,1220 2.49,1221 0.183,1222 0.169,1223 0.263,1224 0.166,1225 0.126,1226 4.39,1227 0.17,1228 4.057,1229 0.085,1230 6.315,1231 0.402,1232 3.972,1233 0.119,1234 3.02,1235 4.078,1236 2.035,1237 9.642,1238 2.861,1239 1.896,1240 1.884,1241 1.949,1242 2.013,1243 1.088,1244 1.995,1245 1.762,1246 1.715,1247 1.827,1248 1.949,1249 0.753,1250 1.921,1251 1.322,1252 1.284,1253 1.568,1254 1.612,1255 0.574,1256 1.557,1257 1.21,1258 1.154,1259 1.422,1260 1.528,1261 0.352,1262 1.538,1263 1.095,1264 1.046,1265 1.244,1266 1.331,1267 0.211,1268 1.304,1269 0.91,1270 0.878,1271 1.062,1272 1.184,1273 0.077,1274 1.142,1275 0.772,1276 0.722,1277 1.008,1278 0.946,1280 0.98,1281 0.645,1282 0.561,1283 0.867,1284 0.922,1286 0.924,1287 3.892,1289 5.176,1291 6.661,1293 8.235,1295 9.855,1297 1.396,1298 5.924,1305 4.962,1306 5.1,1312 8.628,1313 1.818,1314 23.659,1315 63.578,1316 138.1,1317 155.71,1318 161.71,1319 161.71,1320 161.71,1321 51.782,1322 6.469,1323 117,1324 117,1325 12,1326 12.062,1327 4,1328 3.459,1329 45.428,1330 84,1331 92,1332 0.267,1333 155.296,1334 274.42,1335 370.681,1336 4794,1337 3,1338 16.82,1339 0.731,1340 0.547,1341 17.32,1342 12.587,1343 11.066,1344 0.461,1345 0.274,1346 6.084,1347 10.167,1348 5.919,1349 4.94,1350 11.355,1351 6.577,1352 9.417,1353 0.294,1354 0.143,1355 9.788,1356 4.577,1357 7.785,1358 0.195,1359 0.076,1360 8.138,1361 3.029,1362 6.091,1363 0.127,1364 0.039,1365 6.429,1366 1.854,1367 4.658,1368 0.08,1369 0.02,1370 4.89,1371 1.153,1372 0.421,1373 74.052,1374 0.256,1375 22.786,1376 0.721,1377 112,1378 467.011,1379 142.516,1380 474.921,1381 611.25,1382 438,1383 128,1384 400.617,1385 154.016,1386 416.335,1387 595.16,1388 386,1389 5.6}
{0 CHEMBL208637,1 1.727,2 6.375,3 0.343,4 0.117,5 59.26,6 7.866,7 0.375,8 3.424,9 3.553,10 2.998,11 2.848,12 4.736,13 2.871,14 3.878,15 4.059,16 3.299,17 3.115,18 5.152,19 3.124,20 4.03,21 4.216,22 3.347,23 3.172,24 5.353,25 3.207,26 3.975,27 4.164,28 3.395,29 3.165,30 5.525,31 3.167,32 3.983,33 4.181,34 3.096,35 3.12,36 5.269,37 3.096,38 3.923,39 4.141,40 2.979,41 3.024,42 5.335,43 2.942,44 3.883,45 4.156,46 2.389,47 2.771,48 5.104,49 2.637,50 3.551,51 3.882,52 1.992,53 2.352,54 4.836,55 2.144,56 0.089,57 0.411,58 5.242,59 1.99,60 12.713,61 2.705,62 0.271,63 0.55,64 9.981,65 3.23,66 24.349,67 4.599,68 0.362,69 0.613,70 12.188,71 2.859,72 49.531,73 4.185,74 0.367,75 0.607,76 10.84,77 3.394,78 45.898,79 4.938,80 0.34,81 0.576,82 11.372,83 2.752,84 47.722,85 4.057,86 0.32,87 0.513,88 10.825,89 3.323,90 48.64,91 5.046,92 0.357,93 0.398,94 12.095,95 2.684,96 60.735,97 4.262,98 0.233,99 0.238,100 9.682,101 2.561,102 52.634,103 4.193,104 39,105 21,106 0.34,107 0.743,108 0.85,109 0.85,110 0.85,111 0.85,112 2.852,113 0.88,114 -2.22,115 -2.27,116 -2.24,119 35.7,120 2,125 1,142 1,143 1,144 1,147 2,158 2,163 1,164 1,165 1,174 1,175 6,178 2,180 4,183 1,185 2,199 3,200 5,202 3,203 4,204 1,205 1,207 1,208 2,224 1,225 3,227 1,228 2,230 3,233 2,235 2,249 1,250 2,258 1,276 248,277 10.447,278 10.447,279 10.447,280 10.447,281 10.447,282 9.372,283 15.702,284 6.317,285 10.765,286 7.798,287 7.798,288 7.798,289 7.798,290 7.798,291 6.052,292 22.096,293 2.812,294 8.244,295 3.08,296 1.027,297 0.482,298 0.482,299 0.482,300 0.482,301 3.47,305 1,306 1,307 194,308 3,312 55.724,319 1.047,320 22,323 1,324 1,325 1,326 0.8,328 1,329 1,330 0.83,331 36,332 102,333 4.446,334 4.087,335 6.478,336 4.003,337 3.046,338 4.136,339 2.035,340 10.058,341 2.917,342 3.764,343 3.535,344 5.39,345 3.389,346 2.42,347 3.04,348 1.907,349 7.053,350 2.34,351 3.399,352 3.118,353 5.062,354 2.925,355 2.01,356 2.558,357 0.86,358 5.776,359 1.855,360 3.312,361 2.42,362 4.444,363 2.847,364 1.844,365 2.49,366 0.149,367 4.566,368 1.804,369 3.099,370 2.263,371 3.65,372 2.119,373 1.205,374 1.557,376 2.425,377 1.091,378 2.181,379 1.541,380 3.011,381 1.74,382 0.809,383 1.051,385 1.37,386 0.748,387 1.491,388 0.954,389 2.607,390 0.841,391 -0.105,392 -0.157,394 -0.186,395 -0.098,396 1,397 0.558,398 2.518,399 0.646,400 -0.272,401 -0.318,403 -0.519,404 -0.247,405 0.915,406 0.007,407 2,408 0.557,409 -0.388,410 -0.496,412 -0.897,413 -0.365,414 0.44,415 -0.119,416 1.642,417 0.101,418 -0.927,419 -1.116,421 -1.983,422 -0.858,423 0.257,424 -0.578,425 1.385,426 0.001,427 -1,428 -1.361,430 -2,431 -1.092,432 -0.082,433 -0.985,434 1.079,435 -0.385,436 -1.325,437 -1.65,439 -3.463,440 -1.237,441 -0.299,442 -1.005,443 1,444 -0.658,445 -1.622,446 -2.09,447 -0.657,448 -4.583,449 -1.543,450 -0.5,451 -1.439,452 1,453 -0.898,454 -1.807,455 -2.19,456 -0.86,457 -5.178,458 -1.618,459 -0.674,460 -1.604,461 0.496,462 -0.982,463 -1.889,464 -2.454,465 -1.399,466 -5.552,467 -1.75,468 7.267,469 0.454,470 0.421,471 0.026,472 22.25,473 1.391,474 12,475 0.75,476 10.25,477 0.641,478 9.532,479 0.596,480 17.933,481 0.64,482 14.754,483 0.922,484 4.441,485 0.278,486 3.138,487 0.196,488 0.294,490 0.344,496 0.907,497 1.441,498 0.789,499 1.191,500 0.685,501 0.978,502 0.785,503 1.147,504 0.656,505 1.01,506 0.505,507 0.849,508 1.624,509 1.164,510 1.027,511 0.81,512 1.247,513 0.777,514 0.47,515 1.01,516 0.73,517 1.101,518 0.49,519 1.008,520 1.545,521 1.052,522 1.421,523 1.011,524 1.372,525 1.137,526 0.581,527 1.21,528 1.096,529 1.392,530 0.822,531 1.368,532 1.405,533 0.725,534 1.454,535 0.933,536 1.586,537 1.152,538 0.554,539 0.67,540 0.683,541 0.834,542 0.782,543 0.821,544 4,546 1.556,547 1.5,548 0.964,549 0.66,550 0.283,551 0.125,554 1522,555 5832,556 1.828,557 42.9,559 3,562 3,563 3,564 3,567 1.558,568 1.655,569 2.708,570 1.372,572 1,577 48.367,578 1.727,579 3.78,580 4.325,581 4.325,582 4.325,583 4.325,584 2.18,585 3.5,586 3.965,587 2.84,588 340.758,589 6.714,590 2980.82,592 1,595 134.606,596 1.579,597 3.882,598 0.25,600 0.074,601 0.068,602 0.044,603 0.041,604 0.022,605 0.021,608 0.52,609 0.67,610 1,611 1.602,612 63.88,613 -0.151,614 -0.174,615 -0.008,616 -0.078,617 -0.099,618 -0.006,619 0.168,620 -0.097,621 0.257,622 0.035,623 0.117,624 0.137,625 -0.398,626 -0.139,627 -0.067,628 0.127,629 -0.256,630 0.116,631 0.454,632 0.093,633 0.177,634 -0.126,635 0.348,636 -0.076,637 -0.475,638 0.021,639 -0.5,640 -0.09,641 -0.383,642 -0.256,643 0.234,644 -0.212,645 -0.176,646 -0.399,647 0.137,648 -0.387,649 -0.363,650 0.113,651 -0.42,652 -0.061,653 -0.354,654 -0.213,655 0.272,656 -0.05,657 0.431,658 0.131,659 0.38,660 0.283,661 1.931,662 3.85,663 0.375,664 10.75,665 1.021,666 1.145,667 0.995,668 0.99,669 0.642,670 2.833,671 3.091,672 3.258,673 3.497,674 3.555,675 3.584,676 3.332,677 3.135,678 1.792,679 1.386,680 4.151,681 0.629,682 220.26,683 2.833,684 4.317,685 5.118,686 5.979,687 6.808,688 7.679,689 8.518,690 9.392,691 10.235,692 11.111,693 14.3,697 1,700 1,702 1,703 1,709 1,710 1,714 4,716 6,718 1,727 1,733 1,735 28,737 8,739 16,741 28,742 10,743 5,748 1,749 1,754 2,761 1,762 6,763 3,767 1,772 1,776 1,780 1,783 12,784 6,785 3,786 6,792 4,797 1,798 2,809 1,816 1,829 1,843 1,847 2,851 16,852 1,858 1,860 1,861 1,866 1,870 1,872 1,874 7.1,877 1,879 1,881 9.667,882 5.65,883 3.806,884 1.629,886 1.559,887 1.285,888 0.902,889 4.094,890 7.027,891 3.135,892 3.624,893 4.115,894 4.702,895 5.079,896 5.329,897 5.31,898 5.429,899 3.944,900 3.663,901 1,902 22,903 5.821,904 0.001,905 2.304,906 8.271,907 10.474,909 7.573,911 2.771,912 44.333,913 0.001,916 105.94,917 66.11,918 98.753,920 36.145,923 66.11,924 142.085,925 98.753,926 17.65,927 22.603,928 42.373,929 63.237,930 48.002,931 7.143,932 105.94,934 105.94,935 164.863,936 36.145,939 70.627,940 71.458,943 71.313,944 76.765,945 16.786,947 105.94,948 134.898,949 66.11,952 105.94,953 22.382,954 27.127,955 34.612,956 116.887,957 105.94,958 134.898,959 66.11,961 0.555,962 0.314,963 0.186,964 0.095,965 8,966 5,967 0.107,968 3,970 1,971 2.666,972 98.009,974 6,975 64,981 12.278,982 5.335,983 3.101,985 134.898,986 1.419,987 3.978,991 0.807,993 50.908,994 306.948,995 22,1000 10.85,1004 -0.265,1007 28.596,1008 32.073,1009 0.359,1010 0.786,1011 0.9,1012 0.9,1013 0.9,1014 0.9,1015 4.35,1016 -0.272,1017 5.106,1018 -0.186,1019 3.761,1020 4.304,1021 2.822,1022 5.889,1023 3.662,1024 5.569,1025 -0.388,1026 6.653,1027 -0.519,1028 3.434,1029 4.205,1030 1.593,1031 6.783,1032 3.334,1033 6.876,1034 -0.927,1035 8.301,1036 -0.897,1037 5.313,1038 6.46,1039 3.982,1040 9.843,1041 5.124,1042 8.213,1043 -1,1044 10.007,1045 -1.983,1046 5.74,1047 7.128,1048 3.032,1049 11.531,1050 5.545,1051 9.577,1052 -1.325,1053 11.75,1054 -2,1055 7.154,1056 8.923,1057 5.295,1058 14.131,1059 6.885,1060 10.962,1061 -1.622,1062 13.518,1063 -3.463,1064 7.943,1065 9.965,1066 4.409,1067 16.166,1068 7.653,1069 12.364,1070 -1.807,1071 15.306,1072 -4.583,1073 9.168,1074 11.563,1075 6.658,1076 18.595,1077 8.82,1078 3.046,1079 -1.889,1080 17.108,1081 -5.178,1082 10.131,1083 12.794,1084 5.75,1085 20.783,1086 9.75,1087 2.42,1088 10.058,1089 18.923,1090 -5.552,1091 11.282,1092 14.301,1093 8.039,1094 23.142,1095 10.851,1096 2.01,1097 7.053,1098 20.748,1099 4.136,1100 12.325,1101 15.626,1102 7.068,1103 25.397,1104 11.854,1105 1.844,1106 5.776,1107 22.581,1108 3.04,1109 13.448,1110 17.09,1111 9.429,1112 27.728,1113 12.931,1114 1.205,1115 4.566,1116 24.42,1117 2.558,1118 14.528,1119 18.461,1120 8.374,1121 30.012,1122 13.968,1123 0.809,1124 2.425,1125 26.264,1126 2.49,1127 15.642,1128 19.904,1129 10.824,1130 32.33,1131 15.038,1132 -0.105,1133 1.37,1134 28.113,1135 1.557,1136 16.739,1137 21.299,1138 9.674,1139 34.627,1140 16.091,1141 1737,1142 3476,1143 9.652,1144 17.977,1145 24.134,1146 26.428,1147 24.571,1148 22.646,1149 22.67,1150 29.664,1151 9.901,1152 62.498,1153 21.511,1154 5.195,1155 6.087,1156 6.241,1157 5.05,1158 5.046,1159 7.136,1160 4.069,1161 16.946,1162 4.863,1163 10.326,1164 1.508,1165 1.652,1166 1.536,1167 1.415,1168 1.417,1169 1.854,1170 0.619,1171 3.906,1172 1.344,1173 3.935,1174 3.97,1175 3.909,1176 3.8,1177 7.43,1178 3.822,1179 3.552,1180 3.598,1181 3.469,1182 3.317,1183 6.82,1184 3.343,1185 3.459,1186 3.531,1187 3.276,1188 3.253,1189 5.12,1190 3.244,1191 3.148,1192 3.209,1193 3.105,1194 2.968,1195 4.777,1196 2.991,1197 2.977,1198 3.099,1199 2.832,1200 2.638,1201 4.353,1202 2.678,1203 2.735,1204 2.816,1205 2.586,1206 2.434,1207 3.88,1208 2.469,1209 2.516,1210 2.626,1211 2.238,1212 2.121,1213 3.673,1214 2.139,1215 2.31,1216 2.443,1217 1.976,1218 2.007,1219 3.416,1220 1.974,1221 0.278,1222 0.255,1223 0.405,1224 0.25,1225 0.19,1226 4.446,1227 0.259,1228 4.087,1229 0.127,1230 6.478,1231 0.629,1232 4.003,1233 0.182,1234 3.046,1235 4.136,1236 2.035,1237 10.058,1238 2.917,1239 1.848,1240 1.82,1241 1.913,1242 2.01,1243 0.977,1244 1.982,1245 1.478,1246 1.421,1247 1.786,1248 1.739,1249 0.9,1250 1.747,1251 1.437,1252 1.37,1253 1.696,1254 1.677,1255 0.71,1256 1.688,1257 1.073,1258 1.021,1259 1.205,1260 1.289,1261 0.165,1262 1.275,1263 0.859,1264 0.751,1265 1.153,1266 1.265,1267 0.089,1268 1.242,1269 0.626,1270 0.549,1271 0.992,1272 0.992,1274 0.977,1275 0.442,1276 0.321,1277 0.839,1278 0.856,1280 0.869,1281 0.327,1282 0.198,1283 0.618,1284 0.646,1286 0.674,1287 3.497,1289 4.762,1291 6.229,1293 7.805,1295 9.442,1297 3.126,1301 5.645,1303 0.366,1305 2.476,1306 5.166,1312 8.861,1313 1.904,1314 17.622,1315 48.367,1316 105.851,1317 121.096,1318 121.096,1319 121.096,1320 121.096,1321 33.926,1322 5.468,1323 101.03,1324 101.03,1325 6,1326 11.657,1327 3.17,1328 2.807,1329 34.231,1330 40,1331 36,1332 0.464,1333 116.906,1334 204.04,1335 277.01,1336 1081,1338 12.129,1339 0.758,1340 0.567,1341 12.129,1342 9.073,1343 7.579,1344 0.474,1345 0.293,1346 4.595,1347 7.147,1348 4.432,1349 3.742,1350 7.579,1351 4.691,1352 6.565,1353 0.313,1354 0.143,1355 6.565,1356 3.003,1357 4.613,1358 0.185,1359 0.069,1360 4.613,1361 1.714,1362 4.162,1363 0.13,1364 0.036,1365 4.162,1366 1.138,1367 2.648,1368 0.078,1369 0.019,1370 2.648,1371 0.636,1372 0.686,1373 48.418,1374 0.322,1375 15.952,1376 1.388,1377 74,1378 292.406,1379 85.752,1380 280.303,1381 366.4,1382 258,1383 83,1384 258.415,1385 93.147,1386 259.472,1387 370.94,1388 242,1389 5.078}
{0 CHEMBL209534,1 1.674,2 9.455,3 0.753,4 0.567,5 81.425,6 8.036,7 0.522,8 3.71,9 3.831,10 3.319,11 3.205,12 4.992,13 3.218,14 4.17,15 4.337,16 3.612,17 3.514,18 5.394,19 3.509,20 4.36,21 4.547,22 3.705,23 3.596,24 5.639,25 3.588,26 4.374,27 4.579,28 3.655,29 3.523,30 5.776,31 3.514,32 4.307,33 4.503,34 3.55,35 3.482,36 5.692,37 3.459,38 4.266,39 4.46,40 3.432,41 3.438,42 5.623,43 3.4,44 4.248,45 4.479,46 3.277,47 3.33,48 5.63,49 3.272,50 4.1,51 4.363,52 3.052,53 3.192,54 5.171,55 3.106,56 0.082,57 0.568,58 6.484,59 2.828,60 13.497,61 3.542,62 0.275,63 0.811,64 12.276,65 4.507,66 25.765,67 5.935,68 0.331,69 0.932,70 15.813,71 5.371,72 43.356,73 7.157,74 0.458,75 0.92,76 16.61,77 5.025,78 67.537,79 6.792,80 0.497,81 0.849,82 15.438,83 4.631,84 62.551,85 6.237,86 0.345,87 0.804,88 14.685,89 4.716,90 62.071,91 6.222,92 0.429,93 0.755,94 15.703,95 4.482,96 79.586,97 6.136,98 0.293,99 0.629,100 14.515,101 4.367,102 48.908,103 6.31,104 22,105 30,106 0.301,107 0.72,108 0.853,109 0.886,110 0.886,111 0.886,112 3.146,113 0.868,114 -1.78,115 -1.84,116 -1.86,119 40.5,120 1,125 2,142 3,143 2,144 1,145 2,146 1,147 1,158 2,163 1,164 1,165 1,172 2,174 1,175 7,178 1,180 3,183 2,185 2,187 1,188 2,191 1,193 2,199 2,200 4,202 3,203 4,205 1,208 1,212 1,213 3,215 1,216 2,217 1,218 1,220 1,221 1,224 1,225 3,230 1,233 2,235 1,237 2,238 4,241 1,243 2,246 2,248 1,250 1,255 1,258 1,260 1,263 1,264 3,266 1,267 1,269 1,272 2,274 1,276 672,277 14.93,278 14.93,279 14.93,280 14.93,281 14.93,282 13.219,283 16.608,284 9.073,285 15.317,286 11.242,287 11.242,288 11.242,289 11.242,290 11.242,291 8.541,292 17.782,293 4.126,294 11.768,295 3.536,296 1.21,297 0.473,298 0.291,299 0.291,300 0.291,301 3.807,305 1,306 1,307 425,308 3.24,312 161.799,319 1.504,320 27.916,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 48.5,332 208,333 4.473,334 4.087,335 6.504,336 4.043,337 3.078,338 4.167,339 2.035,340 10.156,341 2.971,342 3.982,343 3.569,344 5.954,345 3.622,346 2.635,347 3.453,348 1.081,349 8.288,350 2.593,351 3.869,352 3.074,353 5.337,354 3.456,355 2.466,356 3.296,357 0.86,358 6.951,359 2.438,360 3.34,361 2.722,362 5.062,363 2.922,364 2.01,365 2.558,366 0.473,367 5.777,368 1.824,369 3.281,370 2.375,371 4.301,372 2.544,373 1.589,374 2.15,376 3.984,377 1.513,378 2.941,379 1.878,380 3.666,381 2.357,382 1.38,383 1.978,385 3.075,386 1.34,387 2.747,388 1.645,389 3.546,390 2.082,391 1.172,392 1.5,394 2.329,395 1.056,396 2.5,397 1.538,398 3.247,399 1.956,400 1,401 1.436,403 2.136,404 0.954,405 2.181,406 1.059,407 3.049,408 1.702,409 0.77,410 1.029,412 1.36,413 0.714,414 1.761,415 1,416 2.824,417 1.397,418 0.408,419 0.525,421 0.855,422 0.398,423 1.344,424 0.832,425 2.601,426 0.707,427 -0.22,428 -0.298,430 -0.332,431 -0.202,432 1,433 -0.02,434 2.313,435 0.618,436 -0.312,437 -0.436,439 -0.671,440 -0.289,441 0.79,442 -0.104,443 1.948,444 0.382,445 -0.597,446 -0.75,448 -1.323,449 -0.577,450 0.5,451 -0.51,452 1.645,453 0.161,454 -0.805,455 -1.045,457 -1.723,458 -0.767,459 0.45,460 -0.716,461 1.555,462 -0.025,463 -1,464 -1.471,466 -2.347,467 -0.973,468 10.167,469 0.462,470 0.435,471 0.02,472 31.75,473 1.443,474 17.5,475 0.795,476 14.25,477 0.648,478 13.64,479 0.62,480 23.433,481 0.633,482 22.754,483 1.034,484 6.417,485 0.292,486 4.235,487 0.192,488 0.161,490 0.295,496 0.876,497 1.315,498 0.753,499 1.076,500 0.659,501 0.909,502 0.911,503 1.118,504 0.81,505 0.976,506 0.582,507 0.892,508 1.089,509 1.216,510 0.866,511 1.068,512 0.844,513 0.955,514 1.094,515 0.964,516 0.989,517 0.999,518 1.107,519 0.977,520 1.12,521 0.951,522 1.108,523 0.968,524 1.184,525 1.016,526 1.329,527 1.174,528 1.199,529 1.164,530 1.625,531 1.162,532 1.305,533 0.824,534 1.225,535 0.937,536 1.431,537 1.041,538 1.035,539 0.834,540 0.929,541 0.811,542 1.086,543 0.845,544 4,545 0.058,546 2.444,547 1.313,548 1.316,549 0.896,550 0.305,551 0.184,552 0.18,553 0.1,554 4667,555 15272,556 1.969,557 40.5,559 7,561 2,562 3,564 3,567 1.645,568 1.833,569 3.23,570 1.114,572 1,574 1,577 61.933,578 1.674,579 3.999,580 4.736,581 4.919,582 4.919,583 4.919,584 2.704,585 3.971,586 4.429,587 3.384,588 781.793,589 7.612,590 8753.24,592 1,595 192.75,596 1.435,597 4.382,598 0.174,599 0.005,600 0.081,601 0.041,602 0.045,603 0.034,604 0.013,605 0.01,606 0.011,607 0.007,608 0.423,609 0.5,610 1,611 1.167,612 101.832,613 -0.122,614 -0.129,615 0.01,616 -0.039,617 -0.07,618 0.012,619 0.035,620 -0.054,621 0.071,622 0.034,623 0.029,624 0.055,625 -0.033,626 -0.213,627 0.072,628 -0.081,629 0.005,630 -0.005,631 0.062,632 0.055,633 -0.014,634 -0.078,635 0.057,636 -0.069,637 0.058,638 0.069,639 -0.144,640 -0.035,641 -0.007,642 -0.108,643 -0.195,644 -0.188,645 -0.243,646 -0.198,647 -0.193,648 -0.227,649 -0.153,650 0.133,651 -0.207,652 -0.013,653 -0.065,654 -0.103,655 -0.108,656 0.029,657 0.122,658 0.179,659 -0.108,660 0.197,661 2.069,662 5.138,663 0.545,664 18.777,665 1.016,666 1.135,667 0.548,668 0.3,669 0.669,670 3.178,671 3.434,672 3.664,673 3.85,674 4.007,675 3.97,676 3.912,677 3.784,678 3.761,679 3.784,680 5.727,681 0.653,682 297.35,683 3.178,684 4.673,685 5.493,686 6.34,687 7.182,688 8.037,689 8.886,690 9.745,691 10.597,692 11.459,693 13.5,697 1,700 1,702 1,703 2,709 5,710 2,714 5,716 12,718 1,723 1,727 1,733 1,735 37,737 14,739 23,741 38,742 15,743 10,746 1,748 2,749 2,754 1,761 1,762 11,763 3,767 1,772 1,776 1,779 1,780 1,783 15,784 7,785 3,786 7,792 5,797 1,798 2,809 2,816 2,843 2,847 1,851 22,852 1,858 2,860 1,861 1,866 1,870 1,872 1,874 5.4,877 1,879 1,881 12,882 6.933,883 5.167,884 2.151,886 2.245,887 1.354,888 0.944,889 5.293,890 8.591,891 3.497,892 4.007,893 4.564,894 5.08,895 5.533,896 5.639,897 5.839,898 5.64,899 5.749,900 6.065,901 1,902 32,903 8.064,905 3.306,906 8.068,907 14.764,909 11.197,911 2.568,912 56.5,916 141.253,917 100.053,918 115.538,920 36.145,923 100.053,924 177.398,925 115.538,926 8.825,927 24.709,928 61.326,929 103.565,930 72.039,931 4.815,932 117.711,934 141.253,935 215.591,936 36.145,939 105.94,940 71.458,943 85.445,944 96.575,945 33.571,947 141.253,948 151.683,949 100.053,952 141.253,953 28.102,954 55.349,955 34.612,956 133.672,957 141.253,958 151.683,959 100.053,961 0.558,962 0.334,963 0.182,964 0.098,965 12,966 6,967 0.132,968 5,970 1,971 3.392,972 158.937,974 12,975 98.107,981 15.747,982 7.394,983 3.945,985 151.683,986 8.306,987 8.022,991 1.32,993 50.908,994 392.989,995 32,1000 12.138,1004 -0.402,1007 37.582,1008 41.986,1009 0.321,1010 0.768,1011 0.909,1012 0.944,1013 0.944,1014 0.944,1015 4.7,1016 1,1017 5.451,1018 2.329,1019 4.111,1020 4.691,1021 2.606,1022 6.217,1023 4.031,1024 5.899,1025 0.77,1026 6.986,1027 2.136,1028 3.611,1029 4.388,1031 7.066,1032 3.544,1033 7.19,1034 0.408,1035 8.625,1036 1.36,1037 5.652,1038 6.841,1039 3.669,1040 10.139,1041 5.514,1042 8.517,1043 -0.22,1044 10.326,1045 0.855,1046 5.994,1047 7.373,1049 11.816,1050 5.865,1051 9.875,1052 -0.312,1053 12.067,1054 -0.332,1055 7.483,1056 9.279,1057 4.99,1058 14.399,1059 7.294,1060 11.256,1061 -0.597,1062 13.834,1063 -0.671,1064 8.219,1065 10.216,1067 16.419,1068 8.023,1069 12.655,1070 -0.805,1071 15.619,1072 -1.323,1073 9.477,1074 11.875,1075 6.385,1076 18.83,1077 9.233,1078 3.078,1079 -1,1080 17.419,1081 -1.723,1082 10.405,1083 13.028,1085 21.005,1086 10.139,1087 2.635,1088 10.156,1089 19.229,1090 -2.347,1091 11.568,1092 14.567,1093 7.799,1094 23.352,1095 11.26,1096 2.466,1097 8.288,1098 21.048,1099 4.167,1100 12.589,1101 15.838,1103 25.598,1104 12.25,1105 2.01,1106 6.951,1107 22.873,1108 3.453,1109 13.715,1110 17.318,1111 9.218,1112 27.922,1113 13.336,1114 1.589,1115 5.777,1116 24.704,1117 3.296,1118 14.782,1119 18.656,1121 30.203,1122 14.367,1123 1.38,1124 3.984,1125 26.541,1126 2.558,1127 15.896,1128 20.105,1129 10.638,1130 32.519,1131 15.442,1132 1.172,1133 3.075,1134 28.381,1135 2.15,1136 16.986,1137 21.481,1139 34.817,1140 16.495,1141 4763,1142 8728,1143 14.909,1144 24.745,1145 34.323,1146 37.275,1147 34.805,1148 33.033,1149 33.017,1150 44.185,1151 8.897,1152 89.818,1153 31.601,1154 5.342,1155 6.087,1156 6.306,1157 5.093,1158 5.078,1159 7.167,1160 4.069,1161 17.043,1162 4.925,1163 11.543,1164 1.492,1165 1.621,1166 1.513,1167 1.436,1168 1.436,1169 1.921,1170 0.387,1171 3.905,1172 1.374,1173 3.96,1174 3.993,1175 3.932,1176 3.833,1177 7.429,1178 3.852,1179 3.864,1180 3.903,1181 3.805,1182 3.759,1183 6.82,1184 3.766,1185 3.499,1186 3.556,1187 3.423,1188 3.279,1189 5.111,1190 3.296,1191 3.428,1192 3.493,1193 3.272,1194 3.216,1195 4.897,1196 3.226,1197 3.139,1198 3.201,1199 3.065,1200 2.974,1201 4.759,1202 2.981,1203 3.001,1204 3.105,1205 2.876,1206 2.728,1207 4.287,1208 2.759,1209 2.844,1210 2.896,1211 2.752,1212 2.571,1213 4.055,1214 2.607,1215 2.755,1216 2.839,1217 2.619,1218 2.517,1219 3.794,1220 2.542,1221 0.194,1222 0.178,1223 0.283,1224 0.176,1225 0.134,1226 4.473,1227 0.181,1228 4.087,1229 0.088,1230 6.504,1231 0.442,1232 4.043,1233 0.129,1234 3.078,1235 4.167,1236 2.035,1237 10.156,1238 2.971,1239 1.876,1240 1.847,1241 1.982,1242 2.026,1243 1.085,1244 2.008,1245 1.832,1246 1.799,1247 1.907,1248 1.964,1249 0.978,1250 1.955,1251 1.464,1252 1.395,1253 1.782,1254 1.711,1255 0.901,1256 1.735,1257 1.347,1258 1.295,1259 1.534,1260 1.607,1261 0.612,1262 1.585,1263 1.089,1264 1.039,1265 1.217,1266 1.28,1267 0.186,1268 1.267,1269 0.898,1270 0.819,1271 1.153,1272 1.265,1273 0.106,1274 1.242,1275 0.75,1276 0.67,1277 1.037,1278 1.029,1279 0.043,1280 1.022,1281 0.679,1282 0.613,1283 0.992,1284 0.979,1286 0.978,1287 3.85,1289 5.118,1291 6.594,1293 8.168,1295 9.793,1297 1.758,1301 5.776,1303 0.639,1305 2.714,1306 5.259,1312 9.05,1313 1.92,1314 24.171,1315 61.933,1316 147.979,1317 175.24,1318 181.995,1319 181.995,1320 181.995,1321 46.237,1322 6.346,1323 113.92,1324 113.92,1325 12,1326 12.01,1327 3.907,1328 3.322,1329 42.236,1330 74,1331 74,1332 0.279,1333 155.486,1334 270.36,1335 371.146,1336 4027,1338 15.949,1339 0.725,1340 0.547,1341 15.949,1342 12.036,1343 10.651,1344 0.463,1345 0.289,1346 6.541,1347 10.16,1348 6.389,1349 5.345,1350 10.651,1351 6.658,1352 8.888,1353 0.296,1354 0.146,1355 8.888,1356 4.366,1357 7.307,1358 0.192,1359 0.074,1360 7.307,1361 2.818,1362 5.89,1363 0.128,1364 0.039,1365 5.89,1366 1.786,1367 4.424,1368 0.082,1369 0.02,1370 4.424,1371 1.104,1372 0.435,1373 67.399,1374 0.259,1375 21.843,1376 0.767,1377 106,1378 376.052,1379 118.751,1380 364.431,1381 484.25,1382 338,1383 121,1384 343.964,1385 133.726,1386 348.593,1387 502.12,1388 326,1389 5.1}
{0 CHEMBL210032,1 1.589,2 7.105,3 1.418,4 2.011,5 72.499,6 8.139,7 0.6,8 3.528,9 3.651,10 3.152,11 3.107,12 4.839,13 3.102,14 3.95,15 4.103,16 3.472,17 3.432,18 5.214,19 3.407,20 4.18,21 4.36,22 3.529,23 3.53,24 5.454,25 3.504,26 4.178,27 4.385,28 3.551,29 3.496,30 5.574,31 3.459,32 4.134,33 4.327,34 3.442,35 3.452,36 5.481,37 3.423,38 4.115,39 4.321,40 3.32,41 3.376,42 5.5,43 3.312,44 4.057,45 4.301,46 2.937,47 3.157,48 5.363,49 3.052,50 3.796,51 4.078,52 2.444,53 2.757,54 5.146,55 2.597,56 0.047,57 0.471,58 5.1,59 2.343,60 10.429,61 2.862,62 0.114,63 0.69,64 8.737,65 3.974,66 13.997,67 5.155,68 0.205,69 0.841,70 12.29,71 4.397,72 40,73 5.455,74 0.232,75 0.852,76 12.706,77 4.819,78 41.419,79 6.582,80 0.192,81 0.816,82 11.658,83 3.853,84 38.974,85 4.886,86 0.195,87 0.763,88 11.89,89 4.387,90 40.226,91 5.851,92 0.207,93 0.652,94 12.784,95 4.225,96 48.075,97 5.59,98 0.201,99 0.44,100 11.235,101 3.783,102 52.527,103 5.285,104 22,105 27,106 0.297,107 0.681,108 0.75,109 0.819,110 0.836,111 0.836,112 3.011,113 0.848,114 -3.05,115 -3.05,116 -2.94,119 45.2,120 1,142 6,143 2,144 1,146 1,147 1,158 2,163 1,164 1,165 1,172 6,175 5,178 2,180 4,183 8,185 2,188 2,196 5,199 2,200 6,202 2,203 2,204 1,205 3,207 1,208 4,210 1,213 3,218 4,221 3,223 2,225 4,227 1,228 2,230 5,233 4,235 3,238 3,243 2,246 3,248 1,249 1,250 3,258 2,264 1,272 1,276 441,277 12.646,278 12.646,279 12.646,280 12.646,281 12.646,282 10.882,283 11.616,284 7.59,285 12.747,286 9.826,287 9.826,288 9.826,289 9.826,290 9.826,291 7.14,292 15.684,293 3.525,294 10.012,295 3.365,296 1.307,297 0.936,298 0.565,299 0.476,300 0.476,301 3.665,304 1,305 1,306 1,307 274,308 2.739,312 120.936,319 0.975,320 20.851,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 41,332 135,333 4.526,334 4.083,335 6.679,336 4.115,337 3.137,338 4.24,339 2.035,340 10.772,341 3.068,342 3.887,343 3.534,344 5.675,345 3.494,346 2.514,347 3.416,348 1.907,349 7.528,350 2.462,351 3.753,352 3.084,353 5.387,354 3.339,355 2.359,356 3.025,357 0.149,358 6.959,359 2.306,360 3.389,361 2.505,362 4.559,363 2.85,364 1.844,365 2.49,367 4.57,368 1.837,369 3.18,370 2.274,371 4.437,372 2.72,373 1.742,374 2.459,376 4.472,377 1.701,378 3.093,379 1.781,380 3.65,381 2.229,382 1.249,383 1.807,385 2.854,386 1.221,387 2.597,388 1.286,389 3.297,390 2,391 1,392 1.5,394 2.136,395 1,396 2.5,397 1,398 3.247,399 1.712,400 0.762,401 1.266,403 1.574,404 0.722,405 1.481,406 0.804,407 2.682,408 0.836,409 -0.11,410 -0.161,412 -0.208,413 -0.103,414 0.977,415 0.489,416 2.525,417 0.575,418 -0.374,419 -0.481,421 -0.897,422 -0.354,423 0.903,424 -0.044,425 2.247,426 0.488,427 -0.483,428 -0.664,430 -1.174,431 -0.466,432 0.565,433 -0.346,434 1.856,435 0.101,436 -0.94,437 -1.228,439 -2,440 -0.912,441 0.5,442 -0.772,443 1.555,444 0.028,445 -1,446 -1.486,448 -2.28,449 -1,450 0.347,451 -1,452 1.397,454 -1,455 -1.5,457 -2.347,458 -1.094,459 -0.056,460 -1.001,461 1.114,462 -0.366,463 -1.323,464 -1.737,466 -3.7,467 -1.269,468 8.933,469 0.47,470 0.473,471 0.025,472 29.25,473 1.539,474 17.5,475 0.921,476 11.75,477 0.618,478 10.447,479 0.55,480 19.267,481 0.622,482 19.95,483 1.05,484 5.889,485 0.31,486 3.224,487 0.17,488 0.183,490 0.336,496 0.821,497 1.077,498 0.752,499 0.872,500 0.647,501 0.801,502 0.489,503 1.11,504 0.692,505 1.022,506 0.475,507 0.92,508 1.373,509 1.115,510 1.055,511 0.916,512 1.118,513 0.931,514 0.493,515 0.987,516 0.741,517 0.965,518 0.523,519 0.909,520 1.332,521 1.095,522 1.165,523 0.96,524 1.248,525 0.998,526 0.865,527 1.129,528 1.096,529 1.189,530 0.96,531 1.177,532 1.378,533 0.981,534 1.31,535 1.137,536 1.472,537 1.196,538 1.058,539 0.796,540 1.062,541 1.044,542 1.13,543 1.072,544 4,546 1.778,547 1.563,548 1.116,549 0.736,550 0.426,551 0.224,552 0.054,553 0.031,554 2720,555 9049,556 1.965,557 38.7,559 6,562 3,563 3,567 1.611,568 1.81,569 2.845,570 1.148,572 1,573 1,574 1,577 49.258,578 1.589,579 3.647,580 4.018,581 4.389,582 4.478,583 4.478,584 2.234,585 3.827,586 4.217,587 2.961,588 506.328,589 7.224,590 4955.92,591 1,592 1,594 1,595 153.58,596 1.509,597 4.159,598 0.2,600 0.066,601 0.056,602 0.04,603 0.029,604 0.02,605 0.017,606 0.008,607 0.016,608 0.452,609 0.67,610 1,611 1.262,612 80.901,613 -0.136,614 0.036,615 -0.012,616 0.082,617 -0.091,618 0.068,619 0.22,620 -0.082,621 0.129,622 -0.037,623 0.082,624 0.012,625 -0.292,626 -0.084,627 -0.152,628 0.019,629 -0.207,630 -0.034,631 0.328,632 0.029,633 0.191,634 -0.015,635 0.244,636 0.04,637 -0.32,638 -0.016,639 -0.264,640 -0.064,641 -0.234,642 -0.127,643 0.05,644 -0.135,645 -0.158,646 -0.243,647 0.022,648 -0.236,649 -0.241,650 -0.069,651 -0.264,652 -0.171,653 -0.195,654 -0.206,655 0.118,656 -0.026,657 0.105,658 -0.001,659 0.195,660 0.039,661 1.907,662 4.07,663 0.632,664 12.875,665 1.009,666 1.125,667 1.823,668 3.323,669 0.694,670 3.045,671 3.332,672 3.555,673 3.829,674 4.007,675 4.025,676 4.043,677 3.97,678 3.664,679 3.367,680 4.496,681 0.674,682 252.3,683 3.045,684 4.554,685 5.38,686 6.252,687 7.104,688 7.986,689 8.849,690 9.734,691 10.603,692 11.488,693 12.9,697 1,700 1,702 1,703 1,709 6,710 1,714 5,716 12,718 1,727 1,735 31,737 14,738 1,739 20,741 32,742 14,743 11,744 1,745 5,748 2,749 2,754 1,761 1,762 12,763 1,767 1,772 1,776 1,780 1,783 12,784 5,785 3,786 5,792 4,797 1,798 1,809 1,816 2,829 1,843 2,847 1,851 19,852 1,860 1,866 1,870 1,872 1,874 3.2,877 1,881 10.5,882 5.9,883 4.333,884 1.678,886 2.516,887 1.409,888 0.971,889 3.675,890 8.663,891 3.401,892 3.951,893 4.511,894 5.134,895 5.666,896 5.92,897 6.259,898 6.551,899 6.624,900 6.646,901 0.8,902 28,903 6.933,905 2.864,906 8.079,907 12.726,909 9.841,911 2.579,912 49,916 105.94,917 101.202,918 98.753,920 25.145,923 101.202,924 131.085,925 98.753,926 8.825,927 18.011,928 89.755,929 63.237,930 42.944,931 2.328,932 105.94,934 105.94,935 199.954,936 25.145,939 105.94,940 25.145,943 60.652,944 122.517,945 16.786,947 105.94,948 123.898,949 101.202,952 105.94,953 18.917,954 65.683,955 34.612,956 105.887,957 105.94,958 123.898,959 101.202,961 0.567,962 0.323,963 0.189,964 0.103,965 12,966 6,967 0.063,968 2,970 1,971 3.014,972 135.246,974 12,975 76.711,981 12.912,982 5.408,983 2.833,985 123.898,986 10.71,987 4.28,991 2.174,993 50.908,994 331.039,995 29,1000 11.07,1004 -0.24,1007 31.269,1008 34.863,1009 0.321,1010 0.736,1011 0.811,1012 0.886,1013 0.904,1014 0.904,1015 4.615,1016 0.762,1017 5.361,1018 2.136,1019 4.007,1020 4.635,1021 2.73,1022 6.159,1023 3.967,1024 5.839,1025 -0.11,1026 6.911,1027 1.574,1028 3.611,1029 4.388,1030 1.593,1031 7.066,1032 3.559,1033 7.143,1034 -0.374,1035 8.564,1036 -0.208,1037 5.572,1038 6.813,1039 3.961,1040 10.174,1041 5.486,1042 8.479,1043 -0.483,1044 10.28,1045 -0.897,1046 5.969,1047 7.364,1048 3.032,1049 11.926,1050 5.867,1051 9.843,1052 -0.94,1053 12.037,1054 -1.174,1055 7.434,1056 9.276,1057 5.291,1058 14.566,1059 7.304,1060 11.23,1061 -1,1062 13.823,1063 -2,1064 8.215,1065 10.239,1066 4.409,1067 16.677,1068 8.065,1069 12.636,1070 -1,1071 15.631,1072 -2.28,1073 9.476,1074 11.912,1075 6.657,1076 19.152,1077 9.301,1078 3.137,1079 -1.323,1080 17.456,1081 -2.347,1082 10.445,1083 13.099,1084 5.75,1085 21.417,1086 10.248,1087 2.514,1088 10.772,1089 19.294,1090 -3.7,1091 11.623,1092 14.653,1093 8.039,1094 23.831,1095 11.404,1096 2.359,1097 7.528,1098 21.143,1099 4.24,1100 12.683,1101 15.961,1102 7.068,1103 26.16,1104 12.441,1105 1.844,1106 6.959,1107 23,1108 3.416,1109 13.831,1110 17.457,1111 9.429,1112 28.551,1113 13.567,1114 1.742,1115 4.57,1116 24.864,1117 3.025,1118 14.933,1119 18.829,1120 8.374,1121 30.908,1122 14.646,1123 1.249,1124 4.472,1125 26.735,1126 2.49,1127 16.073,1128 20.296,1129 10.824,1130 33.29,1131 15.764,1132 1,1133 2.854,1134 28.609,1135 2.459,1136 17.194,1137 21.702,1138 9.674,1139 35.658,1140 16.863,1141 2850,1142 5275,1143 12.83,1144 21.523,1145 30.714,1146 32.65,1147 30.662,1148 29.236,1149 29.213,1150 40.406,1151 8.181,1152 81.731,1153 28.634,1154 5.262,1155 6.083,1156 6.481,1157 5.159,1158 5.137,1159 7.24,1160 4.069,1161 17.915,1162 5.068,1163 10.349,1164 1.536,1165 1.633,1166 1.533,1167 1.462,1168 1.461,1169 2.02,1170 0.409,1171 4.087,1172 1.432,1173 4.008,1174 4.04,1175 3.975,1176 3.931,1177 7.43,1178 3.936,1179 3.773,1180 3.812,1181 3.707,1182 3.678,1183 6.82,1184 3.682,1185 3.536,1186 3.582,1187 3.457,1188 3.311,1189 5.109,1190 3.337,1191 3.148,1192 3.209,1193 3.105,1194 2.976,1195 4.793,1196 2.995,1197 3.013,1198 3.117,1199 2.904,1200 2.829,1201 4.572,1202 2.839,1203 2.854,1204 2.925,1205 2.696,1206 2.735,1207 3.921,1208 2.715,1209 2.835,1210 2.919,1211 2.687,1212 2.546,1213 3.674,1214 2.576,1215 2.544,1216 2.655,1217 2.289,1218 2.186,1219 3.667,1220 2.205,1221 0.226,1222 0.204,1223 0.334,1224 0.206,1225 0.157,1226 4.526,1227 0.212,1228 4.083,1229 0.102,1230 6.679,1231 0.539,1232 4.115,1233 0.153,1234 3.137,1235 4.24,1236 2.035,1237 10.772,1238 3.068,1239 1.965,1240 1.94,1241 2.049,1242 2.061,1243 1.134,1244 2.055,1245 1.751,1246 1.717,1247 1.855,1248 1.881,1249 0.89,1250 1.881,1251 1.455,1252 1.405,1253 1.697,1254 1.703,1255 0.71,1256 1.696,1257 1.08,1258 1.029,1259 1.216,1260 1.289,1261 0.28,1262 1.275,1263 0.95,1264 0.886,1265 1.194,1266 1.268,1267 0.218,1268 1.252,1269 0.886,1270 0.821,1271 1.181,1272 1.062,1273 0.054,1274 1.107,1275 0.77,1276 0.661,1277 1.014,1278 1.031,1280 1.035,1281 0.457,1282 0.344,1283 0.839,1284 0.864,1286 0.869,1287 3.714,1289 5.004,1291 6.5,1293 8.097,1295 9.75,1297 1.387,1301 5.832,1305 2.568,1312 9.176,1313 2.043,1314 20.908,1315 49.258,1316 113.051,1317 124.561,1318 136.07,1319 138.825,1320 138.825,1321 33.941,1322 6.146,1323 91.8,1324 91.8,1325 12,1326 12.024,1327 3.907,1328 3.322,1329 33.31,1330 49,1331 49,1332 0.339,1333 135.103,1334 233.27,1335 321.412,1336 2826,1338 13.828,1339 0.728,1340 0.544,1341 13.828,1342 10.344,1343 9.113,1344 0.456,1345 0.283,1346 5.589,1347 8.827,1348 5.418,1349 4.553,1350 9.113,1351 5.652,1352 8.078,1353 0.299,1354 0.147,1355 8.078,1356 3.979,1357 6.123,1358 0.18,1359 0.074,1360 6.123,1361 2.513,1362 5.447,1363 0.121,1364 0.038,1365 5.447,1366 1.732,1367 4.03,1368 0.075,1369 0.02,1370 4.03,1371 1.093,1372 0.504,1373 56.716,1374 0.279,1375 18.609,1376 1.018,1377 94,1378 300.671,1379 102.098,1380 301.727,1381 403.21,1382 278,1383 108,1384 290.96,1385 114.991,1386 299.086,1387 427.44,1388 280,1389 5.078}
{0 CHEMBL210618,1 1.665,2 10.385,3 2.009,4 4.036,5 96.908,6 7.748,7 0.444,8 3.923,9 4.033,10 3.498,11 3.371,12 5.173,13 3.389,14 4.41,15 4.573,16 3.8,17 3.68,18 5.588,19 3.685,20 4.551,21 4.707,22 3.915,23 3.805,24 5.788,25 3.817,26 4.636,27 4.807,28 3.946,29 3.849,30 5.994,31 3.828,32 4.72,33 4.923,34 3.812,35 3.836,36 5.943,37 3.786,38 4.671,39 4.897,40 3.766,41 3.746,42 5.956,43 3.685,44 4.612,45 4.837,46 3.546,47 3.62,48 5.829,49 3.574,50 4.452,51 4.683,52 3.509,53 3.548,54 5.68,55 3.486,56 0.11,57 0.65,58 8.842,59 3.866,60 14.427,61 4.8,62 0.451,63 0.924,64 17.424,65 6.151,66 36.503,67 7.843,68 0.435,69 1.09,70 19.529,71 6.47,72 48.749,73 8.287,74 0.56,75 1.177,76 21.312,77 7.616,78 63.809,79 10.062,80 0.75,81 1.199,82 25.039,83 7.478,84 76.36,85 10.441,86 0.661,87 1.113,88 24.41,89 7.606,90 82.084,91 11.057,92 0.739,93 0.99,94 24.239,95 6.128,96 93.445,97 8.432,98 0.473,99 0.865,100 20.084,101 6.353,102 75.72,103 8.942,104 54,105 36,106 0.287,107 0.661,108 0.8,109 0.838,110 0.853,111 0.875,112 3.304,113 0.873,114 -2.57,115 -2.59,116 -2.53,119 39.1,120 1,121 1,124 2,125 1,142 4,143 2,144 3,147 2,158 2,163 1,164 1,165 1,172 3,174 1,175 10,178 2,180 4,183 4,185 2,188 6,193 1,196 3,199 3,200 7,202 3,203 4,204 1,205 2,207 1,208 3,212 2,213 2,216 1,218 1,221 1,224 2,225 5,227 1,228 3,230 4,233 3,235 2,237 1,238 3,243 1,246 2,248 1,249 2,250 5,255 1,258 3,260 1,263 1,264 3,266 1,267 1,269 1,272 2,274 1,276 984,277 17.566,278 17.566,279 17.566,280 17.566,281 17.566,282 15.819,283 26.42,284 10.396,285 18.242,286 13.09,287 13.09,288 13.09,289 13.09,290 13.09,291 10.181,292 36.102,293 4.576,294 13.908,295 3.859,296 1.687,297 0.875,298 0.658,299 0.571,300 0.441,301 3.966,304 1,305 1,306 1,307 546,308 3.674,312 193.301,319 1.509,320 33.849,322 1,323 1,324 1,325 1,326 1,327 0.5,328 1,329 1,330 0.93,331 58,332 270,333 4.447,334 4.087,335 6.478,336 4.006,337 3.049,338 4.136,339 2.035,340 10.06,341 2.921,342 4.281,343 3.641,344 6.194,345 3.897,346 2.924,347 3.919,348 1.987,349 9.263,350 2.842,351 3.788,352 3.141,353 5.44,354 3.424,355 2.454,356 3.069,357 0.86,358 7.209,359 2.374,360 3.555,361 3.1,362 5.222,363 3.157,364 2.232,365 2.858,366 0.86,367 6.5,368 2.058,369 3.421,370 2.68,371 5.062,372 2.938,373 2.011,374 2.565,375 0.86,376 5.777,377 1.892,378 3.315,379 2.422,380 4.845,381 2.906,382 1.943,383 2.557,384 0.324,385 5.48,386 1.814,387 3.121,388 2.267,389 4.242,390 2.414,391 1.43,392 1.948,394 3.828,395 1.399,396 2.829,397 1.969,398 3.675,399 2.119,400 1.204,401 1.556,403 2.436,404 1.091,405 2.181,406 1.541,407 3.119,408 1.743,409 0.813,410 1.052,412 1.422,413 0.751,414 1.942,415 1.249,416 3.02,417 1.647,418 0.771,419 0.873,421 1.326,422 0.667,423 1.504,424 0.954,425 2.828,426 1.218,427 0.354,428 0.39,430 0.504,431 0.302,432 1.474,433 0.916,434 2.614,435 0.937,441 1.144,442 0.672,443 2.592,444 0.763,445 -0.197,446 -0.282,448 -0.322,449 -0.185,450 1,451 0.297,452 2.338,453 0.64,454 -0.287,455 -0.356,457 -0.58,458 -0.265,459 0.913,460 -0.061,461 2.183,462 0.543,463 -0.421,464 -0.526,466 -0.937,467 -0.4,468 11.933,469 0.459,470 0.571,471 0.022,472 35.75,473 1.375,474 19,475 0.731,476 16.75,477 0.644,478 18.911,479 0.727,480 28.867,481 0.628,482 28.267,483 1.087,484 7.35,485 0.283,486 5.165,487 0.199,488 0.221,490 0.335,496 0.903,497 1.358,498 0.777,499 1.209,500 0.685,501 0.993,502 1.121,503 0.961,504 0.788,505 0.861,506 0.643,507 0.78,508 1.35,509 1.21,510 0.982,511 1.009,512 1.119,513 0.922,514 0.835,515 1.155,516 0.952,517 1.216,518 0.725,519 1.143,520 1.048,521 1.079,522 1.15,523 1.054,524 1.28,525 1.102,526 0.664,527 1.112,528 0.885,529 1.113,530 0.923,531 1.058,532 1.6,533 0.762,534 1.298,535 0.757,536 1.836,537 0.91,538 0.927,539 0.927,540 0.882,541 0.937,542 1.068,543 0.911,544 6,545 0.173,546 2.667,547 2.188,548 1.658,549 1.125,550 0.527,551 0.281,552 0.242,553 0.236,554 7115,555 23368,556 1.931,557 43.5,559 12,562 3,563 2,564 3,567 1.692,568 1.773,569 3.353,570 1.012,571 1,572 1,577 76.587,578 1.665,579 3.836,580 4.648,581 4.866,582 4.953,583 5.083,584 2.724,585 4.316,586 4.674,587 3.524,588 1145.27,589 8.106,590 14631.7,592 1,594 1,595 254.084,596 1.526,597 4.606,598 0.222,599 0.008,600 0.074,601 0.055,602 0.043,603 0.034,604 0.017,605 0.011,606 0.01,607 0.01,608 0.484,609 0.33,610 1,611 1.265,612 127.796,613 -0.097,614 -0.141,615 0.027,616 -0.105,617 -0.069,618 -0.016,619 -0.032,620 0.079,621 0.15,622 0.173,623 0.028,624 0.19,625 -0.249,626 -0.123,627 -0.058,628 -0.003,629 -0.16,630 0.014,631 0.137,632 -0.074,633 -0.034,634 -0.211,635 0.199,636 -0.189,637 -0.024,638 -0.056,639 -0.182,640 -0.098,641 -0.138,642 -0.158,643 0.232,644 -0.141,645 0.095,646 -0.144,647 0.203,648 -0.071,649 -0.348,650 0.199,651 -0.256,652 0.137,653 -0.355,655 0.018,657 0.114,658 0.051,659 0.094,660 0.094,661 1.99,662 5.39,663 0.462,664 22.615,665 1.017,666 1.134,667 1.342,668 1.801,669 0.651,670 3.332,671 3.611,672 3.85,673 4.078,674 4.22,675 4.263,676 4.143,677 4.127,678 4.043,679 4.19,680 6.37,681 0.634,682 356.42,683 3.332,684 4.844,685 5.673,686 6.538,687 7.386,688 8.257,689 9.109,690 9.982,691 10.836,692 11.709,693 8.7,697 1,700 1,702 1,703 1,709 4,710 1,714 7,716 12,718 1,727 1,733 3,735 46,737 14,738 1,739 27,741 47,742 18,743 11,744 3,745 3,748 2,749 2,754 1,760 1,761 1,762 12,763 5,767 1,772 1,776 1,779 1,780 1,783 20,784 8,785 3,786 8,792 4,797 1,798 4,809 1,816 2,829 1,843 2,847 3,851 26,852 1,858 2,860 1,861 3,866 1,870 1,872 1,874 8.7,877 1,879 3,881 14.667,882 9.233,883 6.167,884 2.553,886 2.358,887 1.35,888 0.924,889 6.931,890 9.096,891 3.611,892 4.143,893 4.687,894 5.244,895 5.682,896 5.869,897 5.894,898 6.07,899 5.926,900 6.35,901 0.857,902 40,903 9.543,905 3.871,906 8.032,907 17.512,909 13.165,911 2.532,912 65.833,916 200.109,917 123.687,918 98.753,920 58.145,923 123.687,924 258.253,925 98.753,926 30.591,927 25.138,928 70.802,929 63.237,930 83.674,931 7.143,932 200.109,934 200.109,935 222.44,936 58.145,939 164.795,940 93.458,943 65.022,944 140.632,945 16.786,947 200.109,948 156.897,949 123.687,952 200.109,953 38.589,954 68.496,955 34.612,956 138.887,957 200.109,958 156.897,959 123.687,961 0.559,962 0.342,963 0.193,964 0.101,965 14,966 8,967 0.149,968 7,970 1,971 3.647,972 203.409,974 12,975 122.211,981 19.672,982 9.16,983 4.936,985 156.897,986 6.621,987 4.139,991 2.466,993 50.908,994 480.693,995 36,1000 12.39,1004 -0.324,1007 46.785,1008 52.152,1009 0.301,1010 0.695,1011 0.842,1012 0.881,1013 0.897,1014 0.92,1015 4.836,1016 1.204,1017 5.652,1018 3.828,1019 4.29,1020 4.828,1021 3.03,1022 6.444,1023 4.188,1024 6.046,1025 0.813,1026 7.204,1027 2.436,1028 3.892,1029 4.677,1030 1.593,1031 7.322,1032 3.776,1033 7.354,1034 0.771,1035 8.852,1036 1.422,1037 5.866,1038 7.004,1039 4.09,1040 10.379,1041 5.688,1042 8.694,1043 0.354,1044 10.555,1045 1.326,1046 6.256,1047 7.63,1048 3.168,1049 12.036,1050 6.056,1051 10.061,1053 12.291,1054 0.504,1055 7.706,1056 9.457,1057 5.389,1058 14.616,1059 7.463,1060 11.448,1061 -0.197,1062 14.051,1064 8.465,1065 10.455,1066 4.654,1067 16.616,1068 8.192,1069 12.85,1070 -0.287,1071 15.828,1072 -0.322,1073 9.703,1074 12.068,1075 6.757,1076 19.021,1077 9.395,1078 3.049,1079 -0.421,1080 17.619,1081 -0.58,1082 10.641,1083 13.257,1084 6.091,1085 21.177,1086 10.297,1087 2.924,1088 10.06,1089 19.42,1090 -0.937,1091 11.791,1092 14.768,1093 8.147,1094 23.513,1095 11.415,1096 2.454,1097 9.263,1098 21.23,1099 4.136,1100 12.814,1101 16.058,1102 7.5,1103 25.741,1104 12.399,1105 2.232,1106 7.209,1107 23.048,1108 3.919,1109 13.93,1110 17.517,1111 9.546,1112 28.049,1113 13.482,1114 2.011,1115 6.5,1116 24.871,1117 3.069,1118 14.993,1119 18.86,1120 8.894,1121 30.31,1122 14.505,1123 1.943,1124 5.777,1125 26.7,1126 2.858,1127 16.097,1128 20.294,1129 10.949,1130 32.608,1131 15.573,1132 1.43,1133 5.48,1134 28.534,1135 2.565,1136 17.178,1137 21.665,1138 10.279,1139 34.886,1140 16.615,1141 7327,1142 13403,1143 17.107,1144 29.932,1145 39.715,1146 42.96,1147 41.583,1148 38.241,1149 38.37,1150 49.844,1151 13.851,1152 107.61,1153 36.226,1154 5.325,1155 6.087,1156 6.241,1157 5.062,1158 5.049,1159 7.136,1160 4.069,1161 16.947,1162 4.921,1163 16.193,1164 1.471,1165 1.591,1166 1.54,1167 1.416,1168 1.421,1169 1.846,1170 0.513,1171 3.986,1172 1.342,1173 3.977,1174 4.002,1175 3.938,1176 3.874,1177 7.429,1178 3.883,1179 3.898,1180 3.921,1181 3.863,1182 3.785,1183 6.82,1184 3.804,1185 3.518,1186 3.563,1187 3.448,1188 3.3,1189 5.12,1190 3.326,1191 3.452,1192 3.513,1193 3.276,1194 3.25,1195 4.91,1196 3.243,1197 3.316,1198 3.365,1199 3.178,1200 3.027,1201 4.776,1202 3.053,1203 3.167,1204 3.244,1205 3.102,1206 2.973,1207 4.602,1208 2.993,1209 3.122,1210 3.19,1211 2.895,1212 2.864,1213 4.351,1214 2.853,1215 2.982,1216 3.099,1217 2.839,1218 2.691,1219 4.149,1220 2.715,1221 0.165,1222 0.151,1223 0.24,1224 0.148,1225 0.113,1226 4.447,1227 0.153,1228 4.087,1229 0.075,1230 6.478,1231 0.373,1232 4.006,1233 0.108,1234 3.049,1235 4.136,1236 2.035,1237 10.06,1238 2.921,1239 1.91,1240 1.893,1241 2.005,1242 2.035,1243 1.168,1244 2.02,1245 1.84,1246 1.814,1247 1.904,1248 1.982,1249 0.975,1250 1.964,1251 1.465,1252 1.4,1253 1.781,1254 1.714,1255 0.897,1256 1.736,1257 1.401,1258 1.356,1259 1.607,1260 1.64,1261 0.707,1262 1.624,1263 1.232,1264 1.172,1265 1.581,1266 1.562,1267 0.584,1268 1.565,1269 1.131,1270 1.047,1271 1.51,1272 1.431,1273 0.55,1274 1.463,1275 1.073,1276 1.015,1277 1.204,1278 1.27,1279 0.178,1280 1.257,1281 0.878,1282 0.787,1283 1.153,1284 1.263,1285 0.122,1286 1.242,1287 4.007,1289 5.293,1291 6.783,1293 8.373,1295 10.013,1297 4.837,1301 5.844,1303 0.367,1305 2.654,1306 15.759,1312 9.137,1313 1.941,1314 29.159,1315 76.587,1316 176.468,1317 213.819,1318 223.819,1319 227.819,1320 233.819,1321 63.689,1322 6.738,1323 119.49,1324 119.49,1325 12,1326 12.254,1327 3.907,1328 3.322,1329 54.953,1330 101,1331 88,1332 0.271,1333 185.461,1334 328.84,1335 444.286,1336 6742,1338 19.104,1339 0.735,1340 0.57,1341 19.104,1342 14.828,1343 12.515,1344 0.464,1345 0.291,1346 7.681,1347 11.785,1348 7.423,1349 6.235,1350 12.515,1351 7.861,1352 10.528,1353 0.292,1354 0.145,1355 10.528,1356 5.224,1357 8.599,1358 0.187,1359 0.076,1360 8.599,1361 3.516,1362 7.298,1363 0.126,1364 0.04,1365 7.298,1366 2.338,1367 5.189,1368 0.077,1369 0.021,1370 5.189,1371 1.424,1372 0.425,1373 80.266,1374 0.242,1375 25.097,1376 0.74,1377 126,1378 467.877,1379 143.509,1380 439.948,1381 583.89,1382 410,1383 145,1384 412.506,1385 161.293,1386 416.937,1387 599.14,1388 387,1389 5.078}
{0 CHEMBL210887,1 1.712,2 9.52,3 2.295,4 5.268,5 91.076,6 8.302,7 0.593,8 3.84,9 3.947,10 3.481,11 3.34,12 5.103,13 3.355,14 4.327,15 4.468,16 3.824,17 3.714,18 5.685,19 3.709,20 4.566,21 4.767,22 3.866,23 3.79,24 5.767,25 3.777,26 4.605,27 4.802,28 3.831,29 3.739,30 5.891,31 3.731,32 4.507,33 4.697,34 3.795,35 3.682,36 5.787,37 3.68,38 4.54,39 4.73,40 3.769,41 3.677,42 6.049,43 3.658,44 4.463,45 4.661,46 3.6,47 3.646,48 5.701,49 3.597,50 4.377,51 4.573,52 3.518,53 3.561,54 5.738,55 3.494,56 0.198,57 0.626,58 6.911,59 3.334,60 14.029,61 3.979,62 0.405,63 0.97,64 12.788,65 5.63,66 56.207,67 6.902,68 0.446,69 1.141,70 19.469,71 6.631,72 45.871,73 8.88,74 0.693,75 1.128,76 20.99,77 6.212,78 76.871,79 8.043,80 0.496,81 1.038,82 18.159,83 6.006,84 53.736,85 7.694,86 0.802,87 1.01,88 19.814,89 6.259,90 115.823,91 8.067,92 0.51,93 0.927,94 18.537,95 6.84,96 71.767,97 8.492,98 0.609,99 0.841,100 17.042,101 6.263,102 79.605,103 8.163,104 23,105 37,106 0.297,107 0.653,108 0.775,109 0.877,110 0.897,111 0.897,112 3.267,113 0.858,114 -4.15,115 -4.09,116 -3.87,119 41.5,121 1,125 2,142 8,143 1,144 1,146 1,152 1,158 1,162 1,166 2,172 7,174 2,175 6,178 3,180 2,183 6,188 12,193 2,196 3,199 2,200 11,203 1,205 4,208 1,212 1,213 7,216 1,218 3,221 2,224 2,225 5,228 3,229 1,230 1,233 4,237 2,238 4,243 2,246 8,249 4,253 1,255 2,258 7,264 3,269 2,272 5,276 915,277 16.922,278 16.922,279 16.922,280 16.922,281 16.922,282 14.645,283 16.251,284 10.202,285 17.203,286 13.303,287 13.303,288 13.303,289 13.303,290 13.303,291 9.82,292 17.843,293 4.78,294 13.771,295 3.646,296 1.598,297 0.896,298 0.311,299 0.195,300 0.195,301 3.948,304 1,305 1,306 1,307 501,308 3.606,311 53.905,312 150.99,315 105.165,319 1.379,320 35.72,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 56,332 238,333 4.629,334 3.783,335 6.754,336 4.138,337 3.201,338 4.573,339 2.612,340 11.091,341 3.007,342 4.323,343 3.579,344 6.143,345 3.887,346 2.896,347 4.015,348 1.058,349 9.005,350 2.867,351 3.98,352 3.218,353 5.808,354 3.528,355 2.547,356 3.437,358 7.797,359 2.488,360 3.601,361 2.327,362 5.535,363 3.154,364 2.198,365 3.021,367 6.947,368 2.094,369 3.241,370 2.26,371 4.893,372 2.775,373 1.829,374 2.516,376 5.367,377 1.729,378 3.123,379 1.933,380 4.208,381 2.549,382 1.553,383 2.367,385 3.768,386 1.54,387 2.845,388 1.663,389 3.808,390 2.421,391 1.458,392 1.999,394 3.076,395 1.399,396 2.64,397 1.595,398 3.629,399 2.346,400 1.358,401 1.629,403 2.929,404 1.339,405 2.584,406 1.401,407 3.601,408 2.032,409 1.03,410 1.586,412 2.533,413 1.025,414 2.516,415 1.149,416 3.434,417 2,418 1,419 1.467,421 2.321,422 1,423 2.119,424 1.093,425 3.236,426 1.751,427 0.798,428 1.011,430 1.745,431 0.755,432 1.397,433 1,434 2.782,435 1.093,436 0.17,437 0.201,439 0.306,440 0.155,441 1.056,442 0.409,443 2.413,444 0.733,445 -0.225,446 -0.273,448 -0.526,449 -0.213,450 1,451 0.368,452 2.255,453 0.341,454 -0.662,455 -0.874,457 -1.554,458 -0.651,459 0.816,460 -0.335,461 2,462 0.196,463 -0.762,464 -1.011,466 -1.675,467 -0.728,468 11.433,469 0.457,470 0.575,471 0.023,472 35.5,473 1.42,474 19,475 0.76,476 16.5,477 0.66,478 16.41,479 0.656,480 26.967,481 0.658,482 27.155,483 1.086,484 7.18,485 0.287,486 4.916,487 0.197,488 0.117,490 0.332,496 0.597,497 1.26,498 0.692,499 0.991,500 0.601,501 0.891,502 0.576,503 1.12,504 0.806,505 1.068,506 0.514,507 1.016,508 0.84,509 1.223,510 0.839,511 1.01,512 0.647,513 0.925,514 1.125,515 1.053,516 1.081,517 0.912,518 1.055,519 0.954,520 1.005,521 1.123,522 0.972,523 1.064,524 0.944,525 1.002,526 0.896,527 0.859,528 1.035,529 0.911,530 0.859,531 0.979,532 1.028,533 0.866,534 1.035,535 1.029,536 1.071,537 1.045,538 0.703,539 0.882,540 0.996,541 1.024,542 0.82,543 1.096,544 4.5,545 0.104,546 2.889,547 2.014,548 1.169,549 1.021,550 0.499,551 0.328,552 0.211,553 0.206,554 6620,555 22860,556 2.038,557 39,559 12,562 2,565 2,567 1.684,568 1.899,569 3.258,570 0.352,571 1,572 1,574 1,577 70.173,578 1.712,579 3.76,580 4.461,581 5.046,582 5.162,583 5.162,584 2.661,585 4.294,586 4.615,587 3.397,588 1019.15,589 8.003,590 12364.7,591 1,592 1,594 1,595 219.66,596 1.44,597 4.569,598 0.167,599 0.007,600 0.078,601 0.053,602 0.033,603 0.03,604 0.016,605 0.012,606 0.008,607 0.01,608 0.415,609 0.33,610 1,611 1.272,612 119.927,613 0.071,614 -0.06,615 0.029,616 0.042,617 -0.047,618 0.018,619 0.151,620 0.009,621 -0.003,622 -0.055,623 0.126,624 -0.078,625 -0.084,626 -0.188,627 0.089,628 -0.037,629 0.013,630 0.058,631 -0.135,632 -0.019,633 -0.109,634 0.007,635 -0.109,636 -0.03,637 -0.097,638 -0.084,639 -0.031,640 -0.118,641 -0.068,642 -0.06,643 0.146,644 0.14,645 -0.053,646 0.035,647 0.183,648 -0.036,649 -0.101,650 0.07,651 -0.061,652 -0.011,653 -0.121,654 -0.027,655 0.205,656 0.051,657 -0.022,658 -0.004,659 0.084,660 -0.072,661 2.548,662 5.455,663 0.6,664 20.736,665 1.025,666 1.13,667 2.92,668 8.528,669 0.669,670 3.332,671 3.638,672 3.912,673 4.174,674 4.394,675 4.443,676 4.543,677 4.585,678 4.543,679 4.615,680 5.867,681 0.661,682 340.37,683 3.332,684 4.86,685 5.707,686 6.583,687 7.458,688 8.343,689 9.227,690 10.117,691 11.006,692 11.898,693 9.8,700 1,701 1,703 1,704 1,708 2,709 8,710 1,714 3,715 1,716 16,723 1,729 1,735 41,737 19,738 2,739 27,741 43,742 17,743 13,744 4,745 8,746 1,748 3,749 4,754 1,760 1,762 14,763 3,767 3,769 1,772 3,776 1,779 1,780 1,783 16,784 6,785 2,786 8,789 1,792 4,797 0.667,798 4,799 1,815 1,816 2,819 1,841 1,843 2,851 25,857 1,858 3,860 1,874 9.8,875 1,877 1,880 2,881 13.167,882 7.217,883 5.639,884 2.364,886 3.316,887 1.467,888 0.952,889 5.074,890 10.413,891 3.664,892 4.287,893 4.886,894 5.49,895 6.013,896 6.283,897 6.66,898 6.933,899 6.977,900 7.347,901 1,902 38,903 9.232,905 3.974,906 8.18,907 16.92,909 13.575,911 2.68,912 67,916 164.795,917 97.285,918 42.365,920 118.575,923 97.285,924 283.371,925 42.365,926 5.67,927 22.651,928 118.493,929 46.635,930 11.885,931 2.144,932 164.795,933 50.747,934 164.795,935 139.65,936 118.575,939 141.253,940 48.687,941 93.43,943 28.593,944 88.601,945 22.456,947 164.795,948 160.941,949 97.285,952 164.795,953 21.475,954 83.379,955 18.011,956 135.361,957 164.795,958 160.941,959 97.285,961 0.571,962 0.335,963 0.183,964 0.107,965 17,966 8,967 0.14,968 6,969 1,970 1.133,971 3.643,972 203.877,973 0.133,974 15,975 114.096,981 17.082,982 7.426,983 3.68,984 1.556,985 153.371,986 12.925,987 4.404,991 0.363,992 1.806,993 60.694,994 423.021,995 38,997 -0.548,1000 34.17,1004 -0.482,1007 42.018,1008 46.322,1009 0.319,1010 0.702,1011 0.833,1012 0.942,1013 0.964,1014 0.964,1015 4.875,1016 1.358,1017 5.687,1018 3.076,1019 4.317,1020 4.973,1021 2.67,1022 6.503,1023 4.25,1024 6.096,1025 1.03,1026 7.249,1027 2.929,1028 3.892,1029 4.879,1030 2.361,1031 7.427,1032 3.78,1033 7.415,1034 1,1035 8.917,1036 2.533,1037 5.905,1038 7.248,1039 4.193,1040 10.542,1041 5.76,1042 8.776,1043 0.798,1044 10.646,1045 2.321,1046 6.33,1047 8.009,1048 4.506,1049 12.321,1050 6.129,1051 10.171,1052 0.17,1053 12.415,1054 1.745,1055 7.809,1056 9.853,1057 5.955,1058 14.944,1059 7.577,1060 11.591,1061 -0.225,1062 14.21,1063 0.306,1064 8.623,1065 11.006,1066 6.556,1067 17.075,1068 8.331,1069 13.03,1070 -0.662,1071 16.024,1072 -0.526,1073 9.889,1074 12.643,1075 7.796,1076 19.537,1077 9.561,1078 3.201,1079 -0.762,1080 17.852,1081 -1.554,1082 10.882,1083 13.981,1084 8.548,1085 21.819,1086 10.491,1087 2.896,1088 11.091,1089 19.691,1090 -1.675,1091 12.065,1092 15.534,1093 9.67,1094 24.23,1095 11.631,1096 2.547,1097 9.005,1098 21.538,1099 4.573,1100 13.139,1101 16.959,1102 10.509,1103 26.578,1104 12.642,1105 2.198,1106 7.797,1107 23.393,1108 4.015,1109 14.292,1110 18.48,1111 11.563,1112 28.976,1113 13.745,1114 1.829,1115 6.947,1116 25.255,1117 3.437,1118 15.404,1119 19.947,1120 12.452,1121 31.352,1122 14.794,1123 1.553,1124 5.367,1125 27.121,1126 3.021,1127 16.549,1128 21.457,1129 13.468,1130 33.749,1131 15.883,1132 1.458,1133 3.768,1134 28.992,1135 2.516,1136 17.679,1137 22.946,1138 14.386,1139 36.139,1140 16.95,1141 6561,1142 12334,1143 17.8,1144 27.409,1145 40.239,1146 42.367,1147 41.886,1148 40.057,1149 40.075,1150 55.643,1151 7.342,1152 113.77,1153 38.794,1154 5.486,1155 5.783,1156 6.613,1157 5.191,1158 5.201,1159 7.573,1160 4.612,1161 18.17,1162 5.007,1163 12.823,1164 1.49,1165 1.569,1166 1.551,1167 1.484,1168 1.484,1169 2.061,1170 0.272,1171 4.214,1172 1.437,1173 4.127,1174 4.172,1175 4.097,1176 3.995,1177 7.815,1178 4.013,1179 3.984,1180 4.008,1181 3.95,1182 3.866,1183 7.429,1184 3.875,1185 3.613,1186 3.669,1187 3.547,1188 3.453,1189 6.999,1190 3.449,1191 3.552,1192 3.578,1193 3.456,1194 3.233,1195 6.456,1196 3.279,1197 3.379,1198 3.43,1199 3.285,1200 3.075,1201 5.023,1202 3.136,1203 3.161,1204 3.199,1205 3.081,1206 2.916,1207 4.662,1208 2.954,1209 2.952,1210 3.018,1211 2.827,1212 2.787,1213 4.361,1214 2.784,1215 2.783,1216 2.859,1217 2.573,1218 2.529,1219 3.94,1220 2.526,1221 0.171,1222 0.14,1223 0.25,1224 0.153,1225 0.119,1226 4.629,1227 0.169,1228 3.783,1229 0.097,1230 6.754,1231 0.411,1232 4.138,1233 0.111,1234 3.201,1235 4.573,1236 2.612,1237 11.091,1238 3.007,1239 1.93,1240 1.905,1241 2.029,1242 2.09,1243 1.242,1244 2.054,1245 1.921,1246 1.893,1247 2.013,1248 2.033,1249 1.094,1250 2.031,1251 1.651,1252 1.588,1253 1.87,1254 1.868,1255 1.058,1256 1.862,1257 1.381,1258 1.332,1259 1.513,1260 1.723,1261 0.616,1262 1.651,1263 1.205,1264 1.169,1265 1.316,1266 1.587,1267 0.345,1268 1.524,1269 1.049,1270 1.005,1271 1.256,1272 1.336,1273 0.227,1274 1.315,1275 0.959,1276 0.906,1277 1.173,1278 1.165,1279 0.213,1280 1.164,1281 0.774,1282 0.706,1283 1.044,1284 0.997,1285 0.156,1286 1.018,1287 4.007,1289 5.313,1290 2.398,1291 6.817,1292 4.844,1293 8.412,1294 7.034,1295 10.056,1302 9.086,1303 1.02,1305 2.7,1314 27.106,1315 70.173,1316 154.15,1317 182.905,1318 206.905,1319 211.66,1320 211.66,1321 54.033,1322 7.097,1323 112.97,1324 112.97,1325 17,1326 12.426,1327 4.322,1328 3.585,1329 41.598,1330 87,1331 86,1332 0.235,1333 168.476,1334 288.28,1335 402.841,1336 10813,1338 17.811,1339 0.712,1340 0.53,1341 17.811,1342 13.254,1343 12.097,1344 0.448,1345 0.286,1346 7.582,1347 11.481,1348 7.488,1349 6.191,1350 12.097,1351 7.718,1352 10.654,1353 0.288,1354 0.146,1355 10.654,1356 5.414,1357 8.797,1358 0.18,1359 0.076,1360 8.797,1361 3.739,1362 7.226,1363 0.113,1364 0.04,1365 7.226,1366 2.561,1367 5.976,1368 0.075,1369 0.022,1370 5.976,1371 1.727,1372 0.362,1373 77.116,1374 0.237,1375 24.065,1376 0.66,1377 128,1378 460.624,1379 144.852,1380 437.968,1381 580.57,1382 404,1383 150,1384 422.108,1385 166.664,1386 418.421,1387 608.65,1388 393,1389 5.1}
{0 CHEMBL210928,1 1.88,2 11.172,3 2.321,4 5.385,5 109.73,6 8.705,7 0.4,8 4.035,9 4.123,10 3.839,11 3.535,12 5.21,13 3.513,14 4.561,15 4.703,16 4.118,17 3.858,18 5.911,19 3.842,20 4.717,21 4.842,22 4.304,23 3.988,24 6.061,25 3.985,26 4.795,27 4.928,28 4.284,29 4.048,30 6.163,31 4.013,32 4.912,33 5.078,34 4.195,35 4.053,36 6.228,37 3.995,38 4.897,39 5.087,40 4.023,41 3.996,42 6.176,43 3.903,44 4.872,45 5.092,46 3.91,47 3.841,48 6.097,49 3.772,50 4.694,51 4.935,52 3.813,53 3.723,54 6.036,55 3.64,56 0.213,57 0.721,58 11.008,59 5.134,60 24.187,61 5.435,62 0.721,63 1.038,64 23.689,65 8.317,66 75.459,67 9.188,68 0.872,69 1.187,70 26.386,71 8.618,72 94.347,73 9.271,74 0.923,75 1.277,76 28.715,77 10.259,78 80.876,79 11.66,80 1.288,81 1.357,82 35.288,83 10.735,84 109.908,85 12.476,86 1.116,87 1.304,88 39.801,89 11.49,90 127.416,91 13.717,92 1.259,93 1.193,94 35.322,95 9.203,96 155.076,97 11.442,98 0.98,99 1.014,100 31.997,101 8.82,102 133.939,103 11.74,104 99,105 43,106 0.317,107 0.662,108 0.818,109 0.841,110 0.847,111 0.867,112 3.408,113 1.071,114 -2.8,115 -2.81,116 -2.73,119 35.3,120 1,121 1,124 3,125 1,142 3,143 1,144 5,147 2,158 1,163 1,164 1,165 1,172 2,174 2,175 6,178 2,180 3,183 2,185 1,188 9,193 2,196 3,198 1,199 3,200 8,202 2,203 3,204 1,205 1,207 1,208 1,212 4,213 4,216 1,218 2,221 2,224 2,225 4,227 1,228 2,230 3,233 2,235 2,237 1,238 4,243 1,246 2,248 1,249 3,250 3,253 2,255 1,258 2,260 1,263 1,264 1,266 1,267 1,269 1,272 2,274 1,276 1312,277 18.668,278 18.668,279 18.668,280 18.668,281 18.668,282 16.659,283 26.813,284 10.753,285 19.653,286 14.615,287 14.615,288 14.615,289 14.615,290 14.615,291 11.311,292 36.242,293 4.836,294 16.048,295 3.793,296 1.745,297 0.819,298 0.687,299 0.647,300 0.53,301 4.064,302 1,305 1,306 1,307 652,308 4.359,312 220.842,319 1.627,320 51.163,323 1,324 0.83,325 1,326 1,327 1,328 1,329 1,330 0.98,331 65.833,332 324,333 4.856,334 5.192,335 7.258,336 4.278,337 3.397,338 4.722,339 2.95,340 12.298,341 3.009,342 4.388,343 3.643,344 6.379,345 3.933,346 3.019,347 4.076,348 1.987,349 9.634,350 2.745,351 4.226,352 3.368,353 6.183,354 3.797,355 2.843,356 3.845,357 0.86,358 9.2,359 2.656,360 3.743,361 3.166,362 5.5,363 3.378,364 2.425,365 3.03,366 0.86,367 7.164,368 2.29,369 3.554,370 2.794,371 5.411,372 3.122,373 2.206,374 2.874,375 0.86,376 6.884,377 2.005,378 3.321,379 2.431,380 5.057,381 2.933,382 2.01,383 2.559,384 0.324,385 5.759,386 1.844,387 3.296,388 2.401,389 4.85,390 2.871,391 1.923,392 2.519,394 5.475,395 1.786,396 2.914,397 2.255,398 4.454,399 2.452,400 1.472,401 2.048,403 4.285,404 1.43,405 2.216,406 1.908,407 3.732,408 2.018,409 1.132,410 1.201,412 2.136,413 0.98,414 2.061,415 1.646,416 3.457,417 1.765,418 0.901,419 1.001,421 1.967,422 0.768,423 1.622,424 1.172,425 3.028,426 1.258,427 0.452,428 0.501,430 0.96,431 0.323,432 1.488,433 0.991,434 2.811,435 1.205,436 0.354,437 0.391,439 0.502,440 0.29,441 1.229,442 0.916,443 2.725,444 0.937,445 0.012,446 0.014,448 0.025,449 0.011,450 1,451 0.617,452 2.612,453 0.643,454 -0.279,455 -0.33,457 -0.549,458 -0.255,459 1,460 0.299,461 2.492,462 0.6,463 -0.354,464 -0.426,466 -0.861,467 -0.327,468 13.748,469 0.474,470 0.987,471 0.034,472 37.75,473 1.302,474 19,475 0.655,476 18.75,477 0.647,478 25.254,479 0.871,480 33.652,481 0.66,482 32.628,483 1.125,484 7.516,485 0.259,486 6.084,487 0.21,488 0.299,489 0.061,490 0.327,496 0.753,497 1.429,498 0.731,499 1.255,500 0.731,501 0.991,502 0.98,503 1.014,504 0.817,505 0.915,506 0.642,507 0.746,508 1.272,509 1.119,510 0.903,511 0.973,512 1.308,513 0.903,514 0.898,515 1.209,516 1,517 1.187,518 0.852,519 1.147,520 1.045,521 1.071,522 1.084,523 1.064,524 1,525 1.111,526 0.967,527 1.17,528 1.222,529 1.235,530 1.069,531 1.192,532 1.309,533 0.826,534 0.846,535 0.738,536 1.532,537 0.921,538 0.703,539 0.822,540 0.732,541 0.757,542 0.734,543 0.789,544 8.5,545 0.248,546 3.778,547 3,548 2.409,549 1.528,550 0.649,551 0.431,552 0.316,553 0.338,554 9330,555 36293,556 1.873,557 43.1,559 14,562 3,563 2,564 3,567 1.721,568 1.681,569 3.435,570 1.028,572 1,577 95.863,578 1.88,579 3.927,580 4.853,581 4.986,582 5.025,583 5.143,584 2.862,585 4.349,586 4.833,587 3.628,588 1473.02,589 8.421,590 20177.7,592 1,594 1,595 289.294,596 1.745,597 4.727,598 0.283,599 0.009,600 0.088,601 0.064,602 0.051,603 0.036,604 0.018,605 0.015,606 0.011,607 0.013,608 0.588,609 0.33,610 0.88,611 1.253,612 147.602,613 -0.043,614 -0.13,615 0.117,616 -0.078,617 -0.157,618 0.003,619 0.004,620 0.077,621 0.087,622 0.143,623 0.166,624 0.226,625 -0.192,626 -0.017,627 0.002,628 0.013,629 -0.196,630 0.018,631 0.073,632 -0.128,633 -0.084,634 -0.19,635 0.042,636 -0.19,637 -0.005,638 -0.037,639 -0.168,640 -0.102,641 -0.026,642 -0.172,643 -0.022,644 -0.185,645 -0.209,646 -0.219,647 -0.008,648 -0.199,649 -0.221,650 0.085,651 -0.034,652 0.086,653 -0.267,654 0.005,655 0.18,656 0.072,657 0.163,658 0.123,659 0.262,660 0.212,661 4.464,662 5.517,663 0.414,664 26.749,665 1.03,666 1.133,667 1.572,668 2.47,669 0.664,670 3.434,671 3.784,672 3.989,673 4.22,674 4.407,675 4.454,676 4.382,677 4.344,678 4.205,679 4.344,680 6.793,681 0.64,682 443.95,683 3.434,684 4.99,685 5.826,686 6.72,687 7.58,688 8.476,689 9.343,690 10.239,691 11.109,692 12.004,693 5.9,697 1,700 1,703 1,709 3,710 1,714 8,716 12,727 1,733 3,734 1,735 51,737 15,738 1,739 30,741 52,742 18,743 11,744 4,745 2,748 2,749 2,750 1,754 1,760 1,762 12,763 6,767 3,770 1,772 3,776 1,780 1,783 22,784 9,785 3,786 11,787 2,792 3,797 1,798 6,809 1,816 2,829 1,843 2,845 1,847 4,848 1,851 29,852 1,854 1,858 2,860 1,861 3,873 1,874 11.8,877 3,879 3,881 17.25,882 10.343,883 6.528,884 2.691,886 2.324,887 1.333,888 0.933,889 7.851,890 9.292,891 3.689,892 4.331,893 4.792,894 5.335,895 5.83,896 6.044,897 6.142,898 6.225,899 6.048,900 6.43,901 1,902 47,903 10.928,905 4.787,906 8.191,907 19.539,909 15.237,911 2.691,912 78.028,915 1,916 223.651,917 112.711,918 67.693,919 39.149,920 102.458,922 6.046,923 106.665,924 365.257,925 67.693,926 37.782,927 25.138,928 67.372,929 90.948,930 54.48,931 7.143,932 223.651,933 39.149,934 223.651,935 174.358,936 102.458,937 45.195,939 188.338,940 137.771,943 33.963,944 123.61,945 61.98,947 223.651,948 170.151,949 151.86,951 6.046,952 223.651,953 40.455,954 66.21,955 18.011,956 191.289,957 223.651,958 170.151,959 151.86,961 0.584,962 0.339,963 0.183,964 0.104,965 18,966 11,967 0.154,968 8,970 1,971 3.765,972 242.741,974 12,975 138.881,980 1,981 23.383,982 9.737,983 5.807,985 170.151,986 4.18,987 4.126,991 1.393,993 50.908,994 545.662,995 39,998 -3.547,1000 36.401,1004 -0.436,1007 52.505,1008 57.767,1009 0.331,1010 0.692,1011 0.856,1012 0.879,1013 0.886,1014 0.907,1015 4.949,1016 1.472,1017 5.878,1018 5.475,1019 4.466,1020 5.017,1021 3.395,1022 6.746,1023 4.292,1024 6.216,1025 1.132,1026 7.491,1027 4.285,1028 4.369,1029 5.263,1030 1.593,1031 7.938,1032 4.07,1033 7.588,1034 0.901,1035 9.21,1036 2.136,1037 6.172,1038 7.361,1039 5.176,1040 10.957,1041 5.82,1042 8.999,1043 0.452,1044 10.992,1045 1.967,1046 6.815,1047 8.341,1048 3.168,1049 12.91,1050 6.299,1051 10.439,1052 0.354,1053 12.813,1054 0.96,1055 8.191,1056 10.045,1057 7.241,1058 15.548,1059 7.627,1060 11.901,1061 0.012,1062 14.661,1063 0.502,1064 9.145,1065 11.327,1066 4.654,1067 17.817,1068 8.414,1069 13.38,1070 -0.279,1071 16.531,1072 0.025,1073 10.384,1074 12.908,1075 9.371,1076 20.345,1077 9.583,1078 3.397,1079 -0.354,1080 18.418,1081 -0.549,1082 11.472,1083 14.322,1084 6.091,1085 22.747,1086 10.515,1087 3.019,1088 12.298,1089 20.319,1090 -0.861,1091 12.669,1092 15.863,1093 11.521,1094 25.246,1095 11.621,1096 2.843,1097 9.634,1098 22.232,1099 4.722,1100 13.816,1101 17.339,1102 7.5,1103 27.705,1104 12.623,1105 2.425,1106 9.2,1107 24.155,1108 4.076,1109 15.006,1110 18.87,1111 13.679,1112 30.201,1113 13.706,1114 2.206,1115 7.164,1116 26.086,1117 3.845,1118 16.181,1119 20.376,1120 8.894,1121 32.684,1122 14.744,1123 2.01,1124 6.884,1125 28.025,1126 3.03,1127 17.374,1128 21.907,1129 15.84,1130 35.183,1131 15.819,1132 1.923,1133 5.759,1134 29.97,1135 2.874,1136 18.563,1137 23.429,1138 10.279,1139 37.679,1140 16.876,1141 9645,1142 19169,1143 18.205,1144 33.864,1145 44.166,1146 48.595,1147 47.55,1148 44.235,1149 44.294,1150 57.562,1151 15.682,1152 132.577,1153 40.277,1154 5.736,1155 7.192,1156 7.021,1157 5.336,1158 5.397,1159 7.722,1160 5.9,1161 19.808,1162 5.009,1163 21.173,1164 1.472,1165 1.62,1166 1.585,1167 1.474,1168 1.476,1169 1.919,1170 0.523,1171 4.419,1172 1.343,1173 4.094,1174 4.068,1175 4.736,1176 4.096,1177 7.716,1178 4.006,1179 3.913,1180 3.938,1181 4.024,1182 3.784,1183 7.429,1184 3.795,1185 3.733,1186 3.717,1187 3.814,1188 3.658,1189 6.999,1190 3.599,1191 3.487,1192 3.547,1193 3.478,1194 3.268,1195 5.192,1196 3.269,1197 3.418,1198 3.455,1199 3.294,1200 3.205,1201 4.874,1202 3.215,1203 3.311,1204 3.36,1205 3.202,1206 3.013,1207 4.813,1208 3.035,1209 3.134,1210 3.221,1211 3.149,1212 2.867,1213 4.599,1214 2.86,1215 2.975,1216 3.087,1217 2.888,1218 2.78,1219 4.49,1220 2.767,1221 0.162,1222 0.173,1223 0.242,1224 0.143,1225 0.113,1226 4.856,1227 0.157,1228 5.192,1229 0.098,1230 7.258,1231 0.41,1232 4.278,1233 0.1,1234 3.397,1235 4.722,1236 2.95,1237 12.298,1238 3.009,1239 1.979,1240 1.998,1241 1.988,1242 2.056,1243 1.258,1244 2.079,1245 1.818,1246 1.793,1247 1.872,1248 1.978,1249 0.983,1250 1.959,1251 1.614,1252 1.63,1253 1.775,1254 1.758,1255 0.952,1256 1.798,1257 1.46,1258 1.389,1259 1.626,1260 1.699,1261 0.88,1262 1.729,1263 1.32,1264 1.286,1265 1.586,1266 1.586,1267 0.634,1268 1.582,1269 1.229,1270 1.168,1271 1.572,1272 1.559,1273 0.584,1274 1.563,1275 1.112,1276 1.021,1277 1.45,1278 1.4,1279 0.533,1280 1.426,1281 0.897,1282 0.83,1283 1.172,1284 1.248,1285 0.159,1286 1.238,1287 4.111,1289 5.451,1291 6.98,1293 8.602,1295 10.274,1297 5.545,1298 6.03,1301 5.824,1303 0.199,1305 2.608,1306 15.704,1314 32.636,1315 95.863,1316 200.274,1317 247.519,1318 254.274,1319 256.274,1320 262.274,1321 100.459,1322 6.969,1323 129.84,1324 138.22,1325 12,1326 12.534,1327 4,1328 3.322,1329 65.537,1330 120,1331 116,1332 0.271,1333 211.978,1334 374.42,1335 508.987,1336 8811,1337 2,1338 21.767,1339 0.751,1340 0.62,1341 22.517,1342 17.979,1343 13.599,1344 0.453,1345 0.357,1346 8.435,1347 11.781,1348 7.911,1349 6.617,1350 14.782,1351 10.708,1352 12.84,1353 0.299,1354 0.194,1355 14.542,1356 8.323,1357 9.642,1358 0.182,1359 0.1,1360 10.895,1361 5.319,1362 7.827,1363 0.117,1364 0.053,1365 8.746,1366 3.522,1367 6.093,1368 0.075,1369 0.03,1370 7.008,1371 2.425,1372 0.427,1373 99.535,1374 0.234,1375 27.427,1376 0.742,1377 146,1378 572.767,1379 215.294,1380 581.398,1381 753.86,1382 534,1383 169,1384 484.685,1385 243.976,1386 528.906,1387 762.68,1388 488,1389 5.078}
{0 CHEMBL210963,1 1.81,2 11.267,3 1.535,4 2.356,5 110.663,6 8.356,7 0.387,8 4.051,9 4.141,10 3.821,11 3.546,12 5.275,13 3.533,14 4.567,15 4.712,16 4.072,17 3.861,18 5.923,19 3.854,20 4.727,21 4.857,22 4.208,23 3.999,24 6.061,25 4.007,26 4.828,27 4.966,28 4.299,29 4.065,30 6.291,31 4.052,32 4.945,33 5.118,34 4.166,35 4.077,36 6.279,37 4.03,38 4.922,39 5.119,40 4.025,41 4.012,42 6.236,43 3.934,44 4.909,45 5.135,46 3.848,47 3.868,48 6.141,49 3.804,50 4.712,51 4.952,52 3.823,53 3.734,54 6.138,55 3.67,56 0.198,57 0.757,58 11.625,59 5.098,60 26.63,61 5.434,62 0.688,63 1.089,64 23.296,65 8.149,66 78.438,67 9.156,68 0.724,69 1.288,70 24.393,71 8.472,72 94.155,73 9.279,74 0.91,75 1.416,76 26.159,77 9.91,78 94.334,79 11.558,80 1.228,81 1.484,82 33.506,83 10.495,84 124.479,85 12.571,86 1.045,87 1.422,88 35.648,89 11.067,90 135.821,91 13.687,92 1.199,93 1.284,94 35.117,95 8.985,96 169.978,97 11.617,98 0.951,99 1.078,100 29.121,101 8.512,102 155.692,103 11.693,104 108,105 44,106 0.302,107 0.665,108 0.816,109 0.838,110 0.844,111 0.863,112 3.44,113 1.027,114 -2,115 -2.05,116 -2.04,119 36.5,120 1,121 1,124 3,125 1,142 3,143 2,144 4,147 2,158 2,163 1,164 1,165 1,172 2,174 2,175 9,178 2,180 4,183 3,185 2,188 7,193 1,196 2,199 5,200 9,202 3,203 4,204 1,205 2,207 1,208 2,212 4,213 4,216 1,218 1,221 1,224 2,225 6,227 1,228 3,230 3,233 3,235 2,237 1,238 3,243 1,246 2,248 1,249 4,250 4,253 2,255 1,258 2,260 1,263 1,264 3,266 1,267 1,269 1,272 2,274 1,276 1424,277 19.538,278 19.538,279 19.538,280 19.538,281 19.538,282 17.489,283 28.424,284 11.286,285 20.441,286 15.063,287 15.063,288 15.063,289 15.063,290 15.063,291 11.568,292 37.912,293 4.985,294 16.282,295 3.891,296 1.712,297 0.803,298 0.673,299 0.635,300 0.52,301 4.098,305 1,306 1,307 679,308 4.472,312 230.153,319 1.667,320 53.735,323 1,324 0.83,325 1,326 0.8,327 0.5,328 0.83,329 0.5,330 0.78,331 68,332 338,333 4.856,334 5.192,335 7.258,336 4.278,337 3.397,338 4.722,339 2.95,340 12.298,341 3.01,342 4.447,343 4.087,344 6.478,345 4.005,346 3.048,347 4.136,348 2.035,349 10.06,350 2.917,351 4.227,352 3.641,353 6.183,354 3.801,355 2.844,356 3.845,357 1.987,358 9.202,359 2.676,360 3.786,361 3.174,362 5.502,363 3.404,364 2.439,365 3.072,366 0.86,367 7.236,368 2.338,369 3.573,370 3.115,371 5.427,372 3.127,373 2.207,374 2.889,375 0.86,376 6.901,377 2.018,378 3.422,379 2.794,380 5.062,381 2.938,382 2.011,383 2.565,384 0.86,385 5.777,386 1.892,387 3.315,388 2.422,389 4.862,390 2.906,391 1.944,392 2.557,393 0.324,394 5.527,395 1.814,396 3.123,397 2.277,398 4.458,399 2.459,400 1.478,401 2.053,403 4.299,404 1.438,405 2.91,406 2.246,407 3.757,408 2.119,409 1.205,410 1.558,412 2.45,413 1.092,414 2.181,415 1.907,416 3.644,417 1.775,418 0.903,419 1.054,421 1.968,422 0.778,423 2.06,424 1.541,425 3.063,426 1.731,427 0.808,428 0.997,430 1.377,431 0.74,432 1.505,433 0.997,434 2.84,435 1.221,436 0.358,437 0.396,439 0.512,440 0.306,441 1.479,442 0.946,443 2.804,444 0.981,445 0.052,446 0.061,448 0.105,449 0.047,450 1.228,451 0.916,452 2.614,453 0.791,454 -0.163,455 -0.245,457 -0.268,458 -0.152,459 1,460 0.604,461 2.592,462 0.642,463 -0.279,464 -0.33,466 -0.553,467 -0.255,468 13.933,469 0.464,470 0.949,471 0.032,472 41.25,473 1.375,474 22,475 0.733,476 19.25,477 0.642,478 24.387,479 0.813,480 34.067,481 0.655,482 36.165,483 1.206,484 8.159,485 0.272,486 5.978,487 0.199,488 0.273,489 0.06,490 0.323,496 0.762,497 1.382,498 0.826,499 1.316,500 0.69,501 1.006,502 0.994,503 0.973,504 0.924,505 0.963,506 0.605,507 0.762,508 1.369,509 1.168,510 0.97,511 0.987,512 1.256,513 0.91,514 0.816,515 1.169,516 0.873,517 1.174,518 0.764,519 1.126,520 1.058,521 1.076,522 1.148,523 1.067,524 1.031,525 1.117,526 0.914,527 1.153,528 1.188,529 1.226,530 1.025,531 1.189,532 1.408,533 0.797,534 1.038,535 0.754,536 1.558,537 0.944,538 0.671,539 0.824,540 0.677,541 0.762,542 0.669,543 0.788,544 8.5,545 0.248,546 3.778,547 3.125,548 2.449,549 1.646,550 0.649,551 0.462,552 0.316,553 0.338,554 10219,555 38446,556 1.878,557 42.3,559 14,562 3,563 2,564 3,567 1.73,568 1.69,569 3.454,570 0.999,572 1,577 94.095,578 1.81,579 3.989,580 4.897,581 5.027,582 5.065,583 5.181,584 2.857,585 4.215,586 4.882,587 3.661,588 1592.7,589 8.52,590 22424.2,592 1,594 1,595 296.423,596 1.736,597 4.78,598 0.274,599 0.009,600 0.086,601 0.064,602 0.048,603 0.037,604 0.017,605 0.015,606 0.01,607 0.012,608 0.572,609 0.33,610 0.88,611 1.279,612 154.496,613 -0.039,614 -0.122,615 0.161,616 -0.082,617 -0.122,618 0.003,619 0.015,620 0.09,621 0.093,622 0.136,623 0.152,624 0.227,625 -0.291,626 -0.079,627 -0.071,628 0.016,629 -0.224,630 0.019,631 0.167,632 -0.084,633 0.001,634 -0.185,635 0.121,636 -0.18,637 -0.013,638 -0.054,639 -0.193,640 -0.097,641 -0.066,642 -0.172,643 0.022,644 -0.169,645 -0.169,646 -0.21,647 -0.003,648 -0.194,649 -0.289,650 0.1,651 -0.121,652 0.081,653 -0.319,654 -0.007,655 0.239,656 0.058,657 0.252,658 0.127,659 0.325,660 0.222,661 4.48,662 5.554,663 0.4,664 28.631,665 1.027,666 1.133,667 0.767,668 0.588,669 0.659,670 3.466,671 3.807,672 4.025,673 4.277,674 4.443,675 4.511,676 4.431,677 4.419,678 4.248,679 4.407,680 6.969,681 0.64,682 434.52,683 3.466,684 5.017,685 5.855,686 6.751,687 7.612,688 8.511,689 9.379,690 10.277,691 11.148,692 12.045,693 7.7,697 1,700 1,702 1,703 1,709 3,710 1,714 8,716 12,718 1,727 1,733 3,735 52,737 16,738 1,739 31,741 53,742 19,743 11,744 4,745 2,748 2,749 2,754 1,760 1,761 1,762 12,763 6,767 3,770 1,772 3,776 1,780 1,783 22,784 10,785 3,786 11,787 1,792 4,797 1,798 6,809 1,816 2,829 1,843 2,845 1,847 4,851 30,852 1,854 1,858 2,860 1,861 3,866 1,870 1,872 1,874 11.5,877 3,879 3,881 17.75,882 10.65,883 6.861,884 2.768,886 2.466,887 1.35,888 0.929,889 7.767,890 9.51,891 3.761,892 4.369,893 4.864,894 5.438,895 5.9,896 6.167,897 6.274,898 6.416,899 6.145,900 6.557,901 1,902 49,903 11.289,905 4.942,906 8.247,907 20.087,909 15.603,911 2.747,912 82.417,916 223.651,917 128.998,918 98.753,920 102.458,922 6.046,923 122.952,924 326.108,925 98.753,926 37.782,927 25.138,928 67.372,929 107.55,930 85.225,931 7.143,932 223.651,934 223.651,935 221.705,936 102.458,937 6.046,939 188.338,940 137.771,943 65.022,944 139.897,945 22.831,947 223.651,948 201.21,949 128.998,951 6.046,952 223.651,953 40.14,954 66.21,955 34.612,956 183.2,957 223.651,958 201.21,959 128.998,961 0.578,962 0.341,963 0.192,964 0.105,965 18,966 11,967 0.151,968 8,970 1,971 3.837,972 254.543,974 12,975 145.207,980 1,981 23.589,982 9.877,983 5.692,985 201.21,986 4.09,987 4.107,991 1,993 50.908,994 553.859,995 42,998 -3.563,1000 36.464,1004 -0.471,1007 53.4,1008 58.906,1009 0.317,1010 0.7,1011 0.859,1012 0.882,1013 0.889,1014 0.909,1015 5.024,1016 1.478,1017 5.9,1018 5.527,1019 4.489,1020 5.056,1021 3.64,1022 6.772,1023 4.347,1024 6.291,1025 1.205,1026 7.512,1027 4.299,1028 4.369,1029 5.263,1030 1.593,1031 7.972,1032 4.129,1033 7.658,1034 0.903,1035 9.231,1036 2.45,1037 6.192,1038 7.395,1039 5.353,1040 10.994,1041 5.903,1042 9.063,1043 0.808,1044 11.013,1045 1.968,1046 6.825,1047 8.357,1048 3.168,1049 12.958,1050 6.409,1051 10.498,1052 0.358,1053 12.835,1054 1.377,1055 8.211,1056 10.075,1057 7.338,1058 15.593,1059 7.744,1060 11.956,1061 0.052,1062 14.686,1063 0.512,1064 9.163,1065 11.351,1066 4.654,1067 17.867,1068 8.563,1069 13.432,1070 -0.163,1071 16.558,1072 0.105,1073 10.405,1074 12.936,1075 9.42,1076 20.39,1077 9.737,1078 3.397,1079 -0.279,1080 18.446,1081 -0.268,1082 11.493,1083 14.349,1084 6.091,1085 22.791,1086 10.696,1087 3.048,1088 12.298,1089 20.348,1090 -0.553,1091 12.692,1092 15.891,1093 11.545,1094 25.286,1095 11.809,1096 2.844,1097 10.06,1098 22.262,1099 4.722,1100 13.839,1101 17.366,1102 7.5,1103 27.742,1104 12.832,1105 2.439,1106 9.202,1107 24.186,1108 4.136,1109 15.029,1110 18.896,1111 13.691,1112 30.234,1113 13.922,1114 2.207,1115 7.236,1116 26.117,1117 3.845,1118 16.204,1119 20.402,1120 8.894,1121 32.714,1122 14.975,1123 2.011,1124 6.901,1125 28.055,1126 3.072,1127 17.396,1128 21.931,1129 15.846,1130 35.209,1131 16.058,1132 1.944,1133 5.777,1134 29.999,1135 2.889,1136 18.585,1137 23.453,1138 10.279,1139 37.701,1140 17.125,1141 10568,1142 20646,1143 18.898,1144 34.25,1145 46.542,1146 51.749,1147 48.942,1148 45.337,1149 45.387,1150 59.81,1151 19.751,1152 135.425,1153 42.132,1154 5.736,1155 7.192,1156 7.021,1157 5.336,1158 5.397,1159 7.722,1160 5.9,1161 19.808,1162 5.01,1163 21.718,1164 1.501,1165 1.669,1166 1.579,1167 1.462,1168 1.464,1169 1.929,1170 0.637,1171 4.369,1172 1.359,1173 4.095,1174 4.069,1175 4.736,1176 4.096,1177 7.716,1178 4.006,1179 3.93,1180 3.957,1181 3.92,1182 3.802,1183 7.429,1184 3.819,1185 3.736,1186 3.721,1187 3.8,1188 3.66,1189 6.999,1190 3.601,1191 3.488,1192 3.547,1193 3.424,1194 3.269,1195 6.82,1196 3.276,1197 3.434,1198 3.475,1199 3.275,1200 3.221,1201 5.12,1202 3.23,1203 3.312,1204 3.361,1205 3.167,1206 3.017,1207 4.874,1208 3.04,1209 3.167,1210 3.241,1211 3.099,1212 2.965,1213 4.776,1214 2.985,1215 3.095,1216 3.165,1217 2.888,1218 2.85,1219 4.599,1220 2.84,1221 0.157,1222 0.167,1223 0.234,1224 0.138,1225 0.11,1226 4.856,1227 0.152,1228 5.192,1229 0.095,1230 7.258,1231 0.397,1232 4.278,1233 0.097,1234 3.397,1235 4.722,1236 2.95,1237 12.298,1238 3.01,1239 1.979,1240 1.998,1241 1.989,1242 2.057,1243 1.258,1244 2.079,1245 1.846,1246 1.82,1247 1.903,1248 1.999,1249 0.988,1250 1.978,1251 1.617,1252 1.633,1253 1.781,1254 1.761,1255 0.954,1256 1.8,1257 1.46,1258 1.389,1259 1.63,1260 1.701,1261 0.889,1262 1.731,1263 1.335,1264 1.302,1265 1.586,1266 1.597,1267 0.635,1268 1.589,1269 1.23,1270 1.169,1271 1.573,1272 1.56,1273 0.584,1274 1.565,1275 1.126,1276 1.046,1277 1.455,1278 1.408,1279 0.533,1280 1.432,1281 1.045,1282 0.983,1283 1.188,1284 1.267,1285 0.177,1286 1.242,1287 4.143,1289 5.476,1291 7.004,1293 8.627,1295 10.303,1297 5.475,1301 5.845,1303 0.108,1305 2.581,1306 15.697,1312 9.174,1313 1.909,1314 33.303,1315 94.095,1316 207.403,1317 254.648,1318 261.403,1319 263.403,1320 269.403,1321 109.246,1322 7.044,1323 153.63,1324 162.01,1325 12,1326 12.574,1327 4.087,1328 3.585,1329 69.238,1330 128,1331 114,1332 0.269,1333 214.177,1334 382.23,1335 514.352,1336 9670,1338 22.474,1339 0.749,1340 0.593,1341 22.724,1342 17.792,1343 14.137,1344 0.456,1345 0.342,1346 8.683,1347 12.543,1348 8.185,1349 6.864,1350 15.031,1351 10.615,1352 13.053,1353 0.297,1354 0.184,1355 14.421,1356 8.118,1357 9.808,1358 0.178,1359 0.093,1360 10.541,1361 5.112,1362 8.434,1363 0.119,1364 0.049,1365 9.133,1366 3.508,1367 6.242,1368 0.074,1369 0.028,1370 6.881,1371 2.342,1372 0.424,1373 99.941,1374 0.23,1375 28.22,1376 0.735,1377 150,1378 590.209,1379 204.468,1380 573.046,1381 749.06,1382 526,1383 174,1384 501.23,1385 234.682,1386 537.835,1387 770.77,1388 496,1389 5.078}
{0 CHEMBL211378,1 1.654,2 11.852,3 2.683,4 7.199,5 101.729,6 8.382,7 0.733,8 3.901,9 4.018,10 3.563,11 3.433,12 5.156,13 3.45,14 4.346,15 4.49,16 3.92,17 3.801,18 5.607,19 3.798,20 4.536,21 4.706,22 3.924,23 3.88,24 5.721,25 3.86,26 4.616,27 4.827,28 3.896,29 3.811,30 5.844,31 3.783,32 4.54,33 4.75,34 3.698,35 3.677,36 5.752,37 3.656,38 4.367,39 4.578,40 3.576,41 3.568,42 5.572,43 3.535,44 4.261,45 4.475,46 3.387,47 3.502,48 5.388,49 3.436,50 4.172,51 4.4,52 3.343,53 3.43,54 5.263,55 3.343,56 0.139,57 0.694,58 7.024,59 3.216,60 11.752,61 3.765,62 0.309,63 1.046,64 12.258,65 5.518,66 24.429,67 6.871,68 0.281,69 1.211,70 16.069,71 6.465,72 29.306,73 7.949,74 0.432,75 1.223,76 20.34,77 7.281,78 41.324,79 9.645,80 0.493,81 1.078,82 19.873,83 6.094,84 51.808,85 7.295,86 0.365,87 0.933,88 16.347,89 5.468,90 41.961,91 6.852,92 0.345,93 0.847,94 14.381,95 4.97,96 40.114,97 6.334,98 0.275,99 0.761,100 13.649,101 5.548,102 26.554,103 7.554,104 10,105 42,106 0.282,107 0.643,108 0.754,109 0.841,110 0.86,111 0.868,112 3.339,113 0.821,114 -4.61,115 -4.53,116 -4.26,119 44.2,120 1,142 8,143 3,144 2,146 1,147 1,148 1,159 1,161 1,163 1,164 1,165 1,166 1,172 9,174 2,175 5,177 1,178 3,179 1,180 5,183 11,185 1,187 1,188 3,193 4,196 7,199 2,200 10,202 3,203 3,205 8,208 3,210 1,213 10,218 6,223 2,225 7,228 1,230 6,233 4,235 2,241 1,246 8,249 1,250 1,253 3,254 1,255 1,257 1,258 10,263 1,267 1,272 6,276 1035,277 18.309,278 18.309,279 18.309,280 18.309,281 18.309,282 15.515,283 17.311,284 10.791,285 18.591,286 14.831,287 14.831,288 14.831,289 14.831,290 14.831,291 10.69,292 24.218,293 5.145,294 15.271,295 3.773,296 1.658,297 1.012,298 0.5,299 0.39,300 0.343,301 4.038,304 1,305 1,306 1,307 703,308 3,311 62.79,312 262.4,315 118.128,319 1.953,320 24.643,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 59,332 320,333 4.666,334 3.563,335 6.884,336 4.207,337 3.229,338 4.626,339 1.656,340 11.489,341 3.157,342 4.1,343 3.244,344 5.857,345 3.718,346 2.745,347 3.686,348 0.247,349 8.081,350 2.668,351 4.033,352 2.744,353 5.617,354 3.608,355 2.625,356 3.648,358 7.758,359 2.578,360 3.733,361 2.649,362 5.391,363 3.365,364 2.391,365 3.078,367 7.082,368 2.323,369 3.468,370 2.327,371 5.034,372 3.073,373 2.095,374 2.81,376 5.716,377 2.043,378 3.416,379 2.136,380 4.901,381 2.936,382 1.99,383 2.741,385 5.674,386 1.878,387 3.165,388 2.058,389 4.542,390 2.739,391 1.743,392 2.381,394 4.688,395 1.727,396 2.977,397 1.539,398 4.38,399 2.441,400 1.493,401 2.182,403 4.009,404 1.409,405 2.658,406 1.24,407 3.81,408 2.179,409 1.182,410 1.729,412 2.689,413 1.178,414 2.553,415 1.088,416 3.479,417 2.009,418 1.064,419 1.577,421 2.585,422 1.003,423 2.5,424 1,425 3.414,426 2,427 1,428 1.5,430 2.275,431 1,432 2.187,433 0.807,434 3.313,435 1.714,436 0.744,437 1.053,439 1.81,440 0.72,441 1.322,442 0.624,443 2.949,444 1.019,445 0.072,446 0.085,448 0.194,449 0.068,450 1.182,451 0.275,452 2.508,453 0.765,454 -0.233,455 -0.304,457 -0.562,458 -0.228,459 1.042,460 -0.131,461 2.365,462 0.589,463 -0.335,464 -0.442,466 -0.77,467 -0.311,468 12.567,469 0.465,470 0.661,471 0.024,472 41.25,473 1.528,474 23,475 0.852,476 18.25,477 0.676,478 16.665,479 0.617,480 27.633,481 0.643,482 29.901,483 1.107,484 8.358,485 0.31,486 4.739,487 0.176,488 0.098,490 0.358,496 0.81,497 1.159,498 0.706,499 0.898,500 0.747,501 0.79,502 0.514,503 1.005,504 0.695,505 0.972,506 0.501,507 0.895,508 0.998,509 1.248,510 1.003,511 1.166,512 1.007,513 1.098,514 0.836,515 1.099,516 0.873,517 1.106,518 0.753,519 1.021,520 1.701,521 0.968,522 1.215,523 0.904,524 1.673,525 0.951,526 1.315,527 0.972,528 1.062,529 0.93,530 1.496,531 0.945,532 1.134,533 0.903,534 1.211,535 0.956,536 1.545,537 1.069,538 0.405,539 0.753,540 0.813,541 1.045,542 0.512,543 1.039,544 5.5,545 0.091,546 2.667,547 2.063,548 1.468,549 0.722,550 0.406,551 0.305,552 0.193,553 0.208,554 10041,555 29388,556 2.12,557 37.2,558 3,559 8,561 1,562 4,567 1.694,568 2,569 3.514,570 1.734,571 1,572 1,577 71.109,578 1.654,579 3.768,580 4.414,581 4.926,582 5.037,583 5.083,584 2.94,585 4.607,586 4.728,587 3.718,588 1304.95,589 8.171,590 17354.7,592 1,594 1,595 233.329,596 1.352,597 4.694,598 0.183,599 0.005,600 0.063,601 0.05,602 0.039,603 0.023,604 0.015,605 0.013,606 0.009,607 0.01,608 0.411,609 0.17,610 1,611 0.528,612 136.072,613 -0.028,614 -0.015,615 0.026,616 0.056,617 -0.125,618 0.059,619 0.287,620 0.078,621 0.109,622 0.003,623 0.161,624 0.008,625 -0.124,626 -0.209,627 -0.132,628 -0.2,629 -0.137,630 -0.173,631 0.15,632 -0.136,633 0.124,634 -0.132,635 0.187,636 -0.036,637 -0.37,638 -0.014,639 -0.174,640 0.044,641 -0.22,642 -0.007,643 -0.201,644 -0.015,645 -0.051,646 0.041,647 -0.149,648 0.029,649 -0.18,650 0.07,651 -0.23,652 0.023,653 -0.322,654 -0.086,655 0.335,656 0.145,657 0.194,658 0.007,659 0.22,660 0.045,661 1.988,662 5.144,663 0.778,664 26.123,665 1.016,666 1.128,667 3.382,668 11.439,669 0.692,670 3.434,671 3.761,672 4.025,673 4.317,674 4.489,675 4.522,676 4.605,677 4.762,678 4.762,679 4.828,680 7.122,681 0.679,682 360.41,683 3.434,684 4.977,685 5.826,686 6.708,687 7.572,688 8.459,689 9.33,690 10.22,691 11.096,692 11.989,693 14,697 1,700 2,703 3,708 2,709 9,710 3,712 1,714 6,716 22,727 1,735 43,737 23,738 2,739 30,741 46,742 19,743 17,744 4,745 8,748 4,749 5,753 1,754 1,762 18,763 1,767 1,772 1,776 1,779 1,780 1,783 16,784 8,785 4,786 8,791 1,792 6,797 0.75,798 2,810 1,815 1,816 3,819 1,843 3,847 1,851 27,852 1,860 2,874 4.7,877 1,879 1,881 13.5,882 8.017,883 5.861,884 2.344,886 4.106,887 1.541,888 1.027,889 4.546,890 11.695,891 3.761,892 4.41,893 5.02,894 5.664,895 6.181,896 6.463,897 6.868,898 7.339,899 7.561,900 7.903,901 0.875,902 41,903 9.884,905 4.215,906 7.852,907 18.452,909 14.85,911 2.352,912 63.5,915 1,916 141.253,917 121.479,918 122.086,920 34.879,923 121.479,924 176.132,925 122.086,926 8.825,927 36.022,928 108.707,929 94.491,930 35.567,931 6.604,932 129.482,934 141.253,935 243.566,936 34.879,939 141.253,940 34.879,943 60.629,944 129.769,945 53.168,947 141.253,948 156.965,949 121.479,952 141.253,953 28.225,954 93.254,955 36.022,956 120.944,957 141.253,958 156.965,959 121.479,961 0.583,962 0.336,963 0.189,964 0.098,965 21,966 9,967 0.065,968 3,969 1,970 1.095,971 3.994,972 227.926,973 0.095,974 21,975 122.382,981 17.157,982 7.154,983 3.649,984 0.896,985 156.965,986 16.065,987 12,989 5.194,991 4.074,993 68.919,994 419.698,995 42,1000 12.144,1004 -0.321,1007 43.683,1008 48.485,1009 0.305,1010 0.694,1011 0.814,1012 0.908,1013 0.928,1014 0.937,1015 4.98,1016 1.493,1017 5.808,1018 4.688,1019 4.443,1020 5.097,1021 1.758,1022 6.611,1023 4.388,1024 6.205,1025 1.182,1026 7.357,1027 4.009,1028 4.007,1029 4.902,1030 1.195,1031 7.489,1032 3.938,1033 7.517,1034 1.064,1035 9.004,1036 2.689,1037 6.023,1038 7.352,1039 2.415,1040 10.607,1041 5.918,1042 8.865,1043 1,1044 10.712,1045 2.585,1046 6.399,1047 7.999,1048 2.324,1049 12.381,1050 6.279,1051 10.244,1052 0.744,1053 12.461,1054 2.275,1055 7.888,1056 9.914,1057 3.244,1058 15.029,1059 7.739,1060 11.647,1061 0.072,1062 14.241,1063 1.81,1064 8.658,1065 10.992,1066 3.407,1067 17.197,1068 8.492,1069 13.07,1070 -0.233,1071 16.046,1072 0.194,1073 9.932,1074 12.675,1075 4.156,1076 19.697,1077 9.74,1078 3.229,1079 -0.335,1080 17.872,1081 -0.562,1082 10.899,1083 13.979,1084 4.464,1085 22.031,1086 10.688,1087 2.745,1088 11.489,1089 19.715,1090 -0.77,1091 12.088,1092 15.563,1093 5.111,1094 24.486,1095 11.854,1096 2.625,1097 8.081,1098 21.572,1099 4.626,1100 13.153,1101 16.981,1102 5.504,1103 26.885,1104 12.897,1105 2.391,1106 7.758,1107 23.442,1108 3.686,1109 14.313,1110 18.526,1111 6.091,1112 29.329,1113 14.035,1114 2.095,1115 7.082,1116 25.321,1117 3.648,1118 15.425,1119 20,1120 6.531,1121 31.753,1122 15.126,1123 1.99,1124 5.716,1125 27.209,1126 3.078,1127 16.579,1128 21.531,1129 7.083,1130 34.194,1131 16.257,1132 1.743,1133 5.674,1134 29.104,1135 2.81,1136 17.716,1137 23.033,1138 7.551,1139 36.628,1140 17.372,1141 9415,1142 16307,1143 20.285,1144 29.75,1145 45.308,1146 45.843,1147 46.346,1148 44.709,1149 44.744,1150 62.193,1151 3.806,1152 128.101,1153 43.506,1154 5.533,1155 5.563,1156 6.441,1157 5.278,1158 5.229,1159 7.626,1160 2.912,1161 18.662,1162 5.157,1163 11.774,1164 1.51,1165 1.528,1166 1.545,1167 1.49,1168 1.491,1169 2.073,1170 0.127,1171 4.27,1172 1.45,1173 4.093,1174 4.118,1175 4.077,1176 3.964,1177 7.431,1178 3.983,1179 3.933,1180 3.967,1181 3.873,1182 3.854,1183 5.373,1184 3.852,1185 3.832,1186 3.867,1187 3.779,1188 3.71,1189 5.016,1190 3.729,1191 3.44,1192 3.489,1193 3.386,1194 3.172,1195 4.768,1196 3.217,1197 3.242,1198 3.307,1199 3.19,1200 3.015,1201 4.714,1202 3.023,1203 3.144,1204 3.222,1205 2.966,1206 2.922,1207 4.544,1208 2.944,1209 3.005,1210 3.107,1211 2.9,1212 2.735,1213 4.04,1214 2.747,1215 2.865,1216 2.939,1217 2.741,1218 2.707,1219 3.884,1220 2.715,1221 0.156,1222 0.119,1223 0.229,1224 0.14,1225 0.108,1226 4.666,1227 0.154,1228 3.563,1229 0.055,1230 6.884,1231 0.383,1232 4.207,1233 0.105,1234 3.229,1235 4.626,1236 1.656,1237 11.489,1238 3.157,1239 1.941,1240 1.916,1241 2.04,1242 2.043,1243 1.14,1244 2.04,1245 1.909,1246 1.881,1247 2.015,1248 2.003,1249 1.127,1250 2.008,1251 1.742,1252 1.707,1253 1.8,1254 1.928,1255 0.843,1256 1.897,1257 1.324,1258 1.274,1259 1.56,1260 1.624,1261 0.615,1262 1.58,1263 1.19,1264 1.127,1265 1.389,1266 1.465,1267 0.344,1268 1.441,1269 1.081,1270 1.033,1271 1.223,1272 1.38,1273 0.226,1274 1.36,1275 0.886,1276 0.821,1277 1.181,1278 1.212,1279 0.218,1280 1.2,1281 0.876,1282 0.803,1283 1.153,1284 1.081,1285 0.046,1286 1.107,1287 4.111,1289 5.434,1290 2.398,1291 6.946,1292 4.727,1293 8.547,1294 6.862,1295 10.193,1297 1.965,1301 5.902,1305 5.582,1314 29.192,1315 71.109,1316 162.045,1317 189.82,1318 211.82,1319 216.574,1320 218.574,1321 38.639,1322 7.589,1323 118.96,1324 118.96,1325 23,1326 12.519,1327 4.585,1328 3.7,1329 40.549,1330 119,1331 99,1332 0.169,1333 180.008,1334 298.76,1335 430.98,1336 22050,1338 18.803,1339 0.696,1340 0.535,1341 18.803,1342 14.432,1343 13.097,1344 0.437,1345 0.274,1346 8.081,1347 12.544,1348 7.897,1349 6.596,1350 13.097,1351 8.209,1352 11.982,1353 0.285,1354 0.143,1355 11.982,1356 5.996,1357 9.814,1358 0.178,1359 0.073,1360 9.814,1361 3.994,1362 8.669,1363 0.117,1364 0.037,1365 8.669,1366 2.733,1367 6.625,1368 0.075,1369 0.019,1370 6.625,1371 1.694,1372 0.272,1373 82.537,1374 0.222,1375 26.359,1376 0.444,1377 144,1378 454.384,1379 160.442,1380 444.258,1381 613.36,1382 414,1383 169,1384 469.941,1385 185.166,1386 473.796,1387 686.87,1388 444,1389 5.1}
{0 CHEMBL213505,1 1.913,2 12.767,3 3.139,4 9.855,5 102.662,6 9.637,7 0.667,8 3.932,9 4.037,10 3.683,11 3.427,12 5.279,13 3.486,14 4.412,15 4.532,16 4.133,17 3.794,18 6.201,19 3.846,20 4.569,21 4.725,22 4.087,23 3.872,24 5.953,25 3.908,26 4.673,27 4.862,28 4.076,29 3.8,30 6.131,31 3.847,32 4.59,33 4.781,34 3.922,35 3.668,36 6.058,37 3.714,38 4.422,39 4.613,40 3.713,41 3.558,42 5.808,43 3.585,44 4.313,45 4.503,46 3.708,47 3.496,48 6.031,49 3.489,50 4.217,51 4.427,52 3.502,53 3.421,54 5.505,55 3.393,56 0.321,57 0.913,58 4.571,59 3.301,60 39.389,61 2.95,62 0.983,63 1.717,64 9.29,65 5.737,66 142.392,67 5.417,68 0.711,69 1.516,70 12.365,71 6.586,72 71.85,73 6.634,74 1.074,75 1.553,76 18.546,77 7.475,78 126.051,79 7.703,80 1.109,81 1.332,82 18.142,83 6.169,84 114.233,85 5.946,86 0.914,87 1.141,88 15.134,89 5.608,90 124.33,91 5.183,92 0.925,93 1.004,94 12.788,95 5.008,96 132.301,97 5.888,98 0.643,99 0.934,100 13.156,101 5.657,102 79.2,103 6.655,104 27,105 48,106 0.327,107 0.643,108 0.754,109 0.841,110 0.86,111 0.868,112 3.44,113 0.775,114 -4.95,115 -4.86,116 -4.55,119 44.2,132 1,142 8,143 3,144 2,146 1,147 1,148 1,159 1,161 1,163 1,164 1,165 1,166 1,172 8,174 2,175 5,177 1,178 3,179 1,180 5,183 9,185 1,187 1,188 3,193 4,196 6,199 2,200 10,202 3,203 3,205 7,208 2,210 1,213 10,218 6,223 2,225 6,228 1,230 5,233 4,235 2,241 1,246 8,249 1,250 1,253 3,254 1,255 1,257 1,258 8,263 1,267 1,272 4,276 1440,277 19.781,278 19.781,279 19.781,280 19.781,281 19.781,282 17.078,283 19.34,284 11.431,285 20.315,286 16.306,287 16.306,288 16.306,289 16.306,290 16.306,291 12.228,292 26.901,293 5.429,294 17.231,295 3.514,296 1.658,297 1.012,298 0.5,299 0.39,300 0.343,301 4.132,305 1,306 1,307 830,308 3.873,311 73.006,312 300.249,315 136.926,319 2.08,320 51.581,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 69.5,332 383,333 4.666,334 4.46,335 7.116,336 4.207,337 3.32,338 4.626,339 3.825,340 11.69,341 3.157,342 4.453,343 3.562,344 6.884,345 4.18,346 3.229,347 3.869,348 1.656,349 11.489,350 2.898,351 4.07,352 3.244,353 5.857,354 3.677,355 2.71,356 3.673,357 0.247,358 8.076,359 2.617,360 3.875,361 2.667,362 5.571,363 3.511,364 2.549,365 3.172,367 7.62,368 2.427,369 3.665,370 2.575,371 5.339,372 3.282,373 2.323,374 3.02,376 6.947,377 2.21,378 3.425,379 2.321,380 5.034,381 2.949,382 2,383 2.808,385 5.678,386 1.893,387 3.36,388 2.058,389 4.747,390 2.906,391 1.928,392 2.594,394 5.261,395 1.865,396 2.989,397 1.844,398 4.458,399 2.474,400 1.534,401 2.208,403 4.27,404 1.429,405 2.868,406 1.539,407 4.361,408 2.407,409 1.452,410 1.982,412 3.974,413 1.367,414 2.57,415 1.189,416 3.81,417 2.092,418 1.112,419 1.6,421 2.687,422 1.078,423 2.553,424 1.088,425 3.488,426 2.009,427 1.064,428 1.577,430 2.535,431 1.003,432 2.5,433 1,434 3.414,435 2,436 1,437 1.5,439 2.275,440 1,441 2.187,442 0.807,443 3.313,444 1.714,445 0.744,446 1.053,448 1.81,449 0.72,450 1.322,451 0.623,452 2.961,453 1.019,454 0.072,455 0.085,457 0.194,458 0.068,459 1.176,460 0.51,461 2.726,462 0.76,463 -0.237,464 -0.308,466 -0.579,467 -0.231,468 13.424,469 0.447,470 0.949,471 0.032,472 43.5,473 1.45,474 23,475 0.767,476 20.5,477 0.683,478 19.69,479 0.656,480 32.176,481 0.748,482 35.981,483 1.199,484 8.997,485 0.3,486 5.312,487 0.177,488 0.118,489 0.037,490 0.335,493 3,496 0.667,497 0.962,498 0.592,499 0.897,500 0.647,501 0.757,502 0.422,503 0.756,504 0.606,505 0.957,506 0.392,507 0.925,508 0.761,509 1.021,510 0.866,511 1.157,512 0.656,513 1.1,514 1.035,515 1.052,516 1.025,517 1.098,518 0.985,519 1.07,520 1.157,521 0.817,522 1.18,523 0.896,524 1.077,525 0.988,526 1.257,527 0.914,528 1.303,529 0.918,530 1.27,531 1.042,532 0.414,533 0.643,534 0.908,535 0.934,536 0.469,537 1.112,538 0.682,539 0.754,540 0.917,541 1.032,542 0.743,543 1.11,544 7.5,545 0.124,546 3.556,547 2.438,548 1.766,549 0.966,550 0.611,551 0.336,552 0.292,553 0.288,554 13182,555 52911,556 2.059,557 30.2,559 8,561 1,562 4,567 1.722,568 1.905,569 3.614,570 1.73,571 1,572 1,577 82.248,578 1.913,579 3.768,580 4.414,581 4.926,582 5.037,583 5.083,584 3.057,585 4.615,586 4.882,587 3.838,588 1669.73,589 8.477,590 24285.4,592 1,594 1,595 233.329,596 1.615,597 4.82,598 0.227,599 0.005,600 0.074,601 0.052,602 0.04,603 0.026,604 0.02,605 0.012,606 0.012,607 0.011,608 0.479,609 0.17,610 1,611 0.758,612 157.057,613 -0.07,614 -0.049,615 -0.007,616 0.052,617 -0.13,618 0.07,619 0.412,620 0.289,621 0.111,622 0.023,623 0.41,624 -0.071,625 -0.091,626 -0.2,627 -0.059,628 -0.203,629 -0.028,630 -0.143,631 -0.11,632 -0.137,633 -0.025,634 -0.128,635 -0.086,636 -0.063,637 -0.19,638 0.009,639 -0.15,640 0.04,641 -0.13,642 -0.001,643 -0.303,644 -0.018,645 -0.296,646 0.047,647 -0.278,648 -0.044,649 0.391,650 0.177,651 0.078,652 0.031,653 0.372,654 -0.075,655 0.091,656 0.055,657 0.14,658 0.006,659 0.004,660 0.047,661 5.746,662 5.112,663 0.7,664 30.667,665 1.052,666 1.151,667 3.722,668 13.851,669 0.688,670 3.526,671 3.892,672 4.127,673 4.394,674 4.585,675 4.615,676 4.745,677 4.812,678 4.86,679 4.898,680 7.757,681 0.706,682 414.38,683 3.526,684 5.094,685 5.943,686 6.838,687 7.705,688 8.6,689 9.474,690 10.368,691 11.248,692 12.142,693 14,697 1,700 2,703 3,708 2,709 9,710 3,712 1,714 6,716 22,727 1,735 43,737 23,738 2,739 33,741 46,742 19,743 17,744 4,745 8,748 4,749 5,753 1,754 1,759 1,762 18,763 1,767 1,772 1,776 1,780 1,781 3,783 13,784 11,785 4,786 11,791 1,792 6,797 0.75,798 2,810 1,815 1,816 3,819 1,843 3,849 3,851 30,852 1,860 2,865 1,873 3,874 4.7,877 1,879 1,881 15.75,882 7.695,883 6.361,884 2.264,886 4.184,887 1.535,888 1.027,889 5.122,890 12.01,891 3.829,892 4.48,893 5.078,894 5.71,895 6.235,896 6.52,897 6.949,898 7.353,899 7.594,900 7.92,901 1,902 47,903 11.482,905 5.463,906 8.392,907 19.7,909 15.944,911 2.892,912 86.75,915 1,916 105.94,917 120.414,918 122.086,920 34.879,921 44.88,923 120.414,924 140.819,925 166.967,927 36.022,928 108.707,929 94.491,930 80.447,931 6.604,932 94.169,933 7.76,934 105.94,935 242.5,936 79.759,939 105.94,940 79.759,943 59.564,944 129.769,945 53.168,947 150.82,948 156.965,949 120.414,952 113.699,953 28.225,954 84.429,955 36.022,956 165.824,957 105.94,958 201.846,959 120.414,961 0.596,962 0.336,963 0.18,964 0.096,965 24,966 11,967 0.065,968 3,969 1,970 1.095,971 4.163,972 263.731,973 0.095,974 21,975 138.452,981 19.832,982 7.749,983 4.279,984 0.723,985 201.846,986 12.155,987 11.817,989 5.138,991 0.901,993 68.919,994 428.199,995 45,1000 12.112,1004 -0.688,1007 45.222,1008 49.504,1009 0.352,1010 0.694,1011 0.814,1012 0.908,1013 0.928,1014 0.937,1015 5.078,1016 1.534,1017 5.974,1018 5.261,1019 4.575,1020 5.168,1021 3.244,1022 6.828,1023 4.473,1024 6.325,1025 1.452,1026 7.567,1027 4.27,1028 4.369,1029 5.066,1030 3.949,1031 7.98,1032 4.13,1033 7.658,1034 1.112,1035 9.269,1036 3.974,1037 6.256,1038 7.426,1039 5.464,1040 11.011,1041 6.036,1042 9.027,1043 1.064,1044 11.039,1045 2.687,1046 6.836,1047 8.125,1048 6.701,1049 12.98,1050 6.475,1051 10.426,1052 1,1053 12.853,1054 2.535,1055 8.26,1056 9.994,1057 8.065,1058 15.603,1059 7.896,1060 11.848,1061 0.744,1062 14.698,1063 2.275,1064 9.18,1065 11.092,1066 9.391,1067 17.877,1068 8.694,1069 13.288,1070 0.072,1071 16.567,1072 1.81,1073 10.439,1074 12.752,1075 10.736,1076 20.38,1077 9.924,1078 3.32,1079 -0.237,1080 18.453,1081 0.194,1082 11.508,1083 14.06,1084 12.075,1085 22.766,1086 10.893,1087 3.229,1088 11.69,1089 20.353,1090 -0.579,1091 12.71,1092 15.63,1093 13.417,1094 25.232,1095 12.048,1096 2.71,1097 11.489,1098 22.263,1099 4.626,1100 13.843,1101 17.045,1102 14.758,1103 27.658,1104 13.098,1105 2.549,1106 8.076,1107 24.182,1108 3.869,1109 15.029,1110 18.58,1111 16.1,1112 30.114,1113 14.228,1114 2.323,1115 7.62,1116 26.107,1117 3.673,1118 16.19,1119 20.05,1120 17.441,1121 32.555,1122 15.317,1123 2,1124 6.947,1125 28.038,1126 3.172,1127 17.372,1128 21.574,1129 18.783,1130 35.007,1131 16.441,1132 1.928,1133 5.678,1134 29.972,1135 3.02,1136 18.547,1137 23.071,1138 20.124,1139 37.455,1140 17.551,1141 12499,1142 25229,1143 21.671,1144 29.563,1145 50.909,1146 50.677,1147 51.254,1148 50.297,1149 50.072,1150 67.534,1151 11.457,1152 149.012,1153 47.463,1154 5.537,1155 6.46,1156 6.662,1157 5.279,1158 5.32,1159 7.626,1160 5.335,1161 18.863,1162 5.157,1163 16.435,1164 1.543,1165 1.536,1166 1.553,1167 1.524,1168 1.517,1169 2.046,1170 0.347,1171 4.516,1172 1.438,1173 4.094,1174 4.118,1175 4.078,1176 3.964,1177 8.513,1178 3.983,1179 3.946,1180 3.977,1181 3.908,1182 3.853,1183 7.999,1184 3.858,1185 3.834,1186 3.869,1187 3.785,1188 3.71,1189 7.999,1190 3.729,1191 3.462,1192 3.507,1193 3.444,1194 3.17,1195 7.431,1196 3.227,1197 3.291,1198 3.344,1199 3.277,1200 3.009,1201 5.372,1202 3.057,1203 3.219,1204 3.274,1205 3.175,1206 2.92,1207 5.016,1208 2.967,1209 3.006,1210 3.108,1211 2.909,1212 2.735,1213 4.742,1214 2.747,1215 2.865,1216 2.94,1217 2.743,1218 2.707,1219 4.697,1220 2.715,1221 0.141,1222 0.135,1223 0.216,1224 0.127,1225 0.101,1226 4.666,1227 0.14,1228 4.46,1229 0.116,1230 7.116,1231 0.354,1232 4.207,1233 0.096,1234 3.32,1235 4.626,1236 3.825,1237 11.69,1238 3.157,1239 1.94,1240 1.915,1241 2.024,1242 2.044,1243 1.137,1244 2.036,1245 1.901,1246 1.875,1247 1.995,1248 2.005,1249 1.097,1250 1.998,1251 1.742,1252 1.707,1253 1.799,1254 1.929,1255 0.843,1256 1.897,1257 1.309,1258 1.266,1259 1.411,1260 1.627,1261 0.366,1262 1.56,1263 1.131,1264 1.095,1265 1.227,1266 1.47,1267 0.267,1268 1.382,1269 1.051,1270 1.01,1271 1.204,1272 1.394,1273 0.226,1274 1.314,1275 0.886,1276 0.821,1277 1.181,1278 1.212,1279 0.218,1280 1.199,1281 0.876,1282 0.803,1283 1.152,1284 1.081,1285 0.029,1286 1.107,1287 4.205,1289 5.557,1290 2.398,1291 7.091,1292 4.727,1293 8.707,1294 6.862,1295 10.365,1299 38.32,1301 5.859,1305 4.911,1310 -4.496,1314 30.342,1315 82.248,1316 162.045,1317 189.82,1318 211.82,1319 216.574,1320 218.574,1321 64.619,1322 7.826,1323 118.96,1324 118.96,1325 23,1326 12.671,1327 4.585,1328 3.7,1329 47.453,1330 143,1331 106,1332 0.161,1333 183.603,1334 316.97,1335 439.751,1336 30147,1337 7,1338 21.303,1339 0.71,1340 0.502,1341 18.803,1342 15.066,1343 14.309,1344 0.434,1345 0.258,1346 8.322,1347 13.459,1348 8.26,1349 6.8,1350 13.097,1351 8.526,1352 13.94,1353 0.29,1354 0.129,1355 11.982,1356 6.205,1357 10.777,1358 0.177,1359 0.068,1360 9.814,1361 4.166,1362 9.187,1363 0.115,1364 0.035,1365 8.669,1366 2.784,1367 7.265,1368 0.075,1369 0.018,1370 6.625,1371 1.77,1372 0.262,1373 92.055,1374 0.215,1375 28.802,1376 0.421,1377 162,1378 730.718,1379 195.459,1380 623.912,1381 820.84,1382 576,1383 190,1384 593.941,1385 216.642,1386 576.896,1387 859.34,1388 540,1389 5.3}
{0 CHEMBL215152,1 1.681,2 17.459,3 3.771,4 14.22,5 139.919,6 7.577,7 0.55,8 4.307,9 4.435,10 3.872,11 3.771,12 5.458,13 3.774,14 4.827,15 5.009,16 4.192,17 4.127,18 5.96,19 4.108,20 5.066,21 5.289,22 4.202,23 4.231,24 6.134,25 4.185,26 5.098,27 5.335,28 4.193,29 4.241,30 6.171,31 4.167,32 5.13,33 5.377,34 4.134,35 4.209,36 6.206,37 4.136,38 5.077,39 5.331,40 4.092,41 4.138,42 6.191,43 4.06,44 4.929,45 5.166,46 3.994,47 4.054,48 5.984,49 3.995,50 4.815,51 5.039,52 3.982,53 4.027,54 5.903,55 3.96,56 0.144,57 1.088,58 13.616,59 5.607,60 16.068,61 7.417,62 0.443,63 1.651,64 25.778,65 8.954,66 42.252,67 12.355,68 0.745,69 1.9,70 35.981,71 10.775,72 73.434,73 15.28,74 0.757,75 1.89,76 37.31,77 12.071,78 69.112,79 17.533,80 0.771,81 1.811,82 39.939,83 12.191,84 98.061,85 17.545,86 0.945,87 1.666,88 38.803,89 11.702,90 116.811,91 17.129,92 0.766,93 1.581,94 32.383,95 9.258,96 76.09,97 13.442,98 0.524,99 1.523,100 26.96,101 8.899,102 47.555,103 13.035,104 27,105 53,106 0.264,107 0.627,108 0.817,109 0.91,110 0.91,111 0.91,112 3.641,113 0.908,114 -4.34,115 -4.28,116 -4.04,119 38.8,120 1,121 2,125 5,142 8,143 1,144 3,146 1,147 2,148 1,152 1,158 1,168 1,172 4,174 1,175 10,178 3,180 7,183 7,188 4,191 1,192 1,193 2,196 2,199 3,200 9,203 2,204 1,205 5,208 6,212 1,213 2,216 2,218 3,221 3,224 2,225 9,228 2,229 1,230 3,233 7,238 3,241 2,243 3,246 2,249 3,250 6,253 1,255 5,258 5,264 2,267 1,269 4,272 1,276 3142,277 25.342,278 25.342,279 25.342,280 25.342,281 25.342,282 22.558,283 34.329,284 15.396,285 26.028,286 19.724,287 19.724,288 19.724,289 19.724,290 19.724,291 15.519,292 51.895,293 7.238,294 20.792,295 4.385,296 2.082,297 0.87,298 0.28,299 0.28,300 0.28,301 4.338,306 1,307 1367,308 4.472,311 108.317,312 361.786,316 188.83,319 3.229,320 42.761,323 0.75,324 0.5,325 0.67,326 0.7,327 0.5,328 0.67,329 0.5,330 0.61,331 82,332 646,333 4.526,334 3.63,335 6.529,336 4.042,337 3.075,338 4.464,339 1.987,340 10.306,341 2.975,342 4.148,343 3.155,344 5.728,345 3.759,346 2.788,347 3.75,348 0.86,349 8.122,350 2.706,351 4.055,352 2.951,353 5.572,354 3.626,355 2.667,356 3.657,357 0.8,358 7.651,359 2.553,360 3.774,361 2.876,362 5.43,363 3.401,364 2.478,365 3.213,366 0.4,367 7.171,368 2.298,369 3.616,370 2.804,371 5.299,372 3.36,373 2.423,374 2.867,375 0.324,376 6.787,377 2.259,378 3.466,379 2.709,380 5.15,381 3.232,382 2.266,383 2.655,385 6.375,386 2.172,387 3.34,388 2.319,389 4.961,390 2.925,391 1.993,392 2.466,394 5.729,395 1.848,396 3.206,397 2.24,398 4.757,399 2.769,400 1.816,401 2.442,403 5.211,404 1.715,405 3.039,406 1.87,407 4.44,408 2.567,409 1.597,410 2.252,412 4.417,413 1.537,414 2.96,415 1.693,416 4.148,417 2.482,418 1.543,419 2.119,421 3.725,422 1.442,423 2.657,424 1.567,425 3.617,426 2.369,427 1.417,428 1.728,430 3.03,431 1.342,432 2.518,433 1.476,434 3.479,435 2.171,436 1.18,437 1.52,439 2.587,440 1.165,441 2.385,442 1.275,443 3.402,444 2.02,445 1.099,446 1.341,448 2.224,449 1.003,450 2.206,451 1.022,452 3.28,453 1.904,454 0.947,455 1.102,457 1.822,458 0.904,459 2.103,460 0.864,461 3.13,462 1.71,463 0.728,464 1.064,466 1.738,467 0.714,468 17.086,469 0.462,470 0.724,471 0.02,472 47.5,473 1.284,474 23,475 0.622,476 24.5,477 0.662,478 31.584,479 0.854,480 41.114,481 0.614,482 38.653,483 1.045,484 9.642,485 0.261,486 8.391,487 0.227,488 0.085,490 0.287,494 1,496 0.795,497 1.298,498 0.782,499 1.15,500 0.658,501 0.992,502 0.887,503 1.151,504 0.895,505 1.079,506 0.658,507 1.003,508 1.179,509 1.024,510 1.052,511 0.934,512 1.017,513 0.953,514 0.727,515 0.948,516 0.91,517 1.057,518 0.646,519 1.032,520 1.015,521 0.92,522 0.957,523 0.977,524 1.099,525 0.96,526 0.83,527 0.823,528 0.828,529 0.857,530 0.7,531 0.857,532 1.144,533 0.934,534 1.035,535 0.836,536 0.938,537 0.894,538 0.648,539 1.004,540 0.948,541 1.095,542 0.546,543 1.084,544 7.5,545 0.206,546 2.667,547 2.444,548 1.449,549 0.962,550 0.534,551 0.481,552 0.303,553 0.306,554 24809,555 71439,556 2.071,557 44.8,559 18,561 1,562 4,563 2,564 3,565 2,567 1.775,568 1.965,569 4.047,570 1.525,577 112.603,578 1.681,579 3.984,580 5.196,581 5.786,582 5.786,583 5.786,584 3.517,585 5.155,586 5.172,587 4.276,588 2847.78,589 9.075,590 51192.2,595 406.428,596 1.283,597 5.153,598 0.188,599 0.006,600 0.05,601 0.047,602 0.029,603 0.02,604 0.012,605 0.011,606 0.007,607 0.008,608 0.379,610 0.75,611 1.56,612 210.706,613 -0.06,614 -0.137,615 0.034,616 -0.049,617 -0.055,618 0.002,619 -0.027,620 -0.09,621 0.003,622 -0.056,623 0.023,624 -0.031,625 -0.162,626 -0.012,627 -0.081,628 0.039,629 -0.102,630 0.007,631 0.112,632 -0.005,633 0.047,634 -0.064,635 0.09,636 -0.034,637 -0.053,638 -0.032,639 0.036,640 -0.003,641 -0.059,642 0.03,643 0.131,644 0.002,645 0.179,646 0.113,647 0.14,648 0.142,649 -0.124,650 0.019,651 -0.044,652 0.12,653 -0.099,654 0.068,655 0.095,656 -0.009,657 -0.026,658 -0.097,659 0.068,660 -0.093,661 2.084,662 5.319,663 0.568,664 61.746,665 1.012,666 1.141,667 3.115,668 9.701,669 0.649,670 3.714,671 3.989,672 4.205,673 4.454,674 4.605,675 4.673,676 4.787,677 4.942,678 5.05,679 5.124,680 10.066,681 0.627,682 507.63,683 3.714,684 5.231,685 6.052,686 6.907,687 7.743,688 8.604,689 9.448,690 10.314,691 11.164,692 12.034,693 10.4,696 1,700 1,701 2,703 3,708 2,709 9,710 3,711 1,714 6,716 22,728 1,733 1,734 1,735 67,737 23,738 2,739 40,741 70,742 26,743 17,744 5,745 7,748 4,749 5,754 2,760 2,762 18,763 8,767 1,772 1,776 1,781 1,783 30,784 10,785 4,786 11,792 7,797 0.75,798 3,799 1,807 1,810 1,815 1,816 3,820 1,829 1,839 1,841 1,843 3,847 1,849 1,851 37,857 1,858 7,860 2,861 1,864 1,873 1,874 4.5,875 1,877 1,879 1,881 18.833,882 11.976,883 8.389,884 4.04,886 4.241,887 1.511,888 0.961,889 9.52,890 12.544,891 3.97,892 4.535,893 5.07,894 5.663,895 6.143,896 6.418,897 6.796,898 7.218,899 7.598,900 7.779,901 0.917,902 52,903 13.677,905 5.722,906 7.892,907 25.769,909 20.475,911 2.392,912 88.5,916 306.049,917 143.188,918 106.043,920 78.828,921 14.96,923 143.188,924 384.877,925 121.003,926 8.825,927 33.989,928 118.493,929 91.855,930 79.255,931 22.373,932 294.278,934 306.049,935 249.231,936 93.788,939 262.153,940 95,941 42.683,943 91.375,944 107.621,945 50.234,947 321.009,948 184.871,949 143.188,952 306.049,953 49.934,954 96.378,955 52.685,956 144.022,957 306.049,958 199.831,959 143.188,961 0.563,962 0.32,963 0.176,964 0.089,965 22,966 10,967 0.186,968 13,969 1,970 1.095,971 4.954,972 329.043,973 0.095,974 21,975 192.75,981 26.642,982 13.221,983 7.782,984 1.513,985 183.168,986 14.521,987 12.897,988 2.832,991 2.348,993 95.368,994 649.068,995 52,1000 12.293,1004 -0.295,1007 67.81,1008 76.438,1009 0.277,1010 0.657,1011 0.857,1012 0.954,1013 0.954,1014 0.954,1015 5.179,1016 1.816,1017 6.004,1018 5.729,1019 4.673,1020 5.223,1021 2.373,1022 6.744,1023 4.575,1024 6.358,1025 1.597,1026 7.512,1027 5.211,1028 4.111,1029 4.945,1030 1.668,1031 7.466,1032 3.966,1033 7.641,1034 1.543,1035 9.113,1036 4.417,1037 6.196,1038 7.39,1039 3.17,1040 10.538,1041 6.013,1042 8.959,1043 1.417,1044 10.769,1045 3.725,1046 6.447,1047 7.962,1048 3.181,1049 12.104,1050 6.224,1051 10.307,1052 1.18,1053 12.463,1054 3.03,1055 7.967,1056 9.866,1057 4.326,1058 14.676,1059 7.711,1060 11.679,1061 1.099,1062 14.183,1063 2.587,1064 8.621,1065 10.869,1066 4.656,1067 16.637,1068 8.331,1069 13.069,1070 0.947,1071 15.924,1072 2.224,1073 9.892,1074 12.535,1075 5.604,1076 19.036,1077 9.572,1078 3.075,1079 0.728,1080 17.682,1081 1.822,1082 10.756,1083 13.769,1084 6.091,1085 21.191,1086 10.405,1087 2.788,1088 10.306,1089 19.454,1090 1.738,1091 11.917,1092 15.327,1093 6.928,1094 23.533,1095 11.537,1096 2.667,1097 8.122,1098 21.239,1099 4.464,1100 12.89,1101 16.682,1102 7.501,1103 25.78,1104 12.481,1105 2.478,1106 7.651,1107 23.035,1108 3.75,1109 14.005,1110 18.193,1111 8.273,1112 28.107,1113 13.568,1114 2.423,1115 7.171,1116 24.841,1117 3.657,1118 15.036,1119 19.611,1120 8.894,1121 30.397,1122 14.57,1123 2.266,1124 6.787,1125 26.656,1126 3.213,1127 16.135,1128 21.105,1129 9.631,1130 32.722,1131 15.641,1132 1.993,1133 6.375,1134 28.478,1135 2.867,1136 17.198,1137 22.556,1138 10.279,1139 35.033,1140 16.675,1141 23907,1142 40870,1143 26.929,1144 43.478,1145 57.72,1146 59.01,1147 59.7,1148 57.527,1149 57.475,1150 74.798,1151 8.742,1152 156.512,1153 54.599,1154 5.452,1155 5.63,1156 6.311,1157 5.126,1158 5.075,1159 7.464,1160 3.497,1161 17.2,1162 4.975,1163 17.777,1164 1.443,1165 1.475,1166 1.492,1167 1.438,1168 1.437,1169 1.87,1170 0.219,1171 3.913,1172 1.365,1173 4.079,1174 4.117,1175 4.047,1176 3.972,1177 8.201,1178 3.985,1179 3.943,1180 3.985,1181 3.896,1182 3.833,1183 7.429,1184 3.839,1185 3.875,1186 3.921,1187 3.827,1188 3.721,1189 6.456,1190 3.743,1191 3.771,1192 3.844,1193 3.637,1194 3.574,1195 5.109,1196 3.578,1197 3.525,1198 3.577,1199 3.435,1200 3.317,1201 4.966,1202 3.333,1203 3.436,1204 3.483,1205 3.361,1206 3.219,1207 4.674,1208 3.235,1209 3.35,1210 3.418,1211 3.214,1212 3.144,1213 4.659,1214 3.167,1215 3.331,1216 3.406,1217 3.108,1218 3.124,1219 4.275,1220 3.106,1221 0.113,1222 0.091,1223 0.163,1224 0.101,1225 0.077,1226 4.526,1227 0.112,1228 3.63,1229 0.05,1230 6.529,1231 0.258,1232 4.042,1233 0.074,1234 3.075,1235 4.464,1236 1.987,1237 10.306,1238 2.975,1239 2.002,1240 1.978,1241 2.064,1242 2.118,1243 1.267,1244 2.102,1245 1.882,1246 1.854,1247 1.986,1248 2.001,1249 1.171,1250 1.996,1251 1.724,1252 1.654,1253 1.961,1254 1.951,1255 1.063,1256 1.959,1257 1.641,1258 1.602,1259 1.788,1260 1.82,1261 1.024,1262 1.809,1263 1.486,1264 1.425,1265 1.769,1266 1.73,1267 0.975,1268 1.733,1269 1.389,1270 1.323,1271 1.677,1272 1.636,1273 0.871,1274 1.629,1275 1.339,1276 1.259,1277 1.524,1278 1.598,1279 0.549,1280 1.614,1281 1.235,1282 1.178,1283 1.378,1284 1.486,1285 0.469,1286 1.456,1287 4.394,1289 5.68,1290 2.398,1291 7.146,1292 4.595,1293 8.7,1294 6.555,1295 10.305,1297 2.07,1299 13.319,1302 9.089,1303 4.032,1305 5.819,1306 5.889,1309 2.173,1314 41.999,1315 112.603,1316 266.902,1317 348.163,1318 387.673,1319 387.673,1320 387.673,1321 80.399,1322 8.303,1323 128.29,1324 128.29,1325 23,1326 12.582,1327 4.585,1328 3.7,1329 65.309,1330 220,1331 236,1332 0.14,1333 259.143,1334 445.72,1335 624.07,1336 59378,1337 1.5,1338 26.037,1339 0.704,1340 0.556,1341 25.167,1342 20.576,1343 18.034,1344 0.451,1345 0.303,1346 11.89,1347 17.112,1348 11.684,1349 9.668,1350 17.64,1351 12.113,1352 15.637,1353 0.295,1354 0.158,1355 15.003,1356 8.4,1357 12.456,1358 0.189,1359 0.086,1360 12.136,1361 5.696,1362 10.618,1363 0.125,1364 0.045,1365 10.267,1366 3.856,1367 7.92,1368 0.08,1369 0.024,1370 7.79,1371 2.327,1372 0.23,1373 114.505,1374 0.193,1375 34.912,1376 0.355,1377 186,1378 639.311,1379 210.266,1380 585.122,1381 784.3,1382 548,1383 212,1384 563.94,1385 234.712,1386 559.909,1387 810.57,1388 527,1389 5.05}
{0 CHEMBL219722,1 1.53,2 11.269,3 3.2,4 10.241,5 101.347,6 7.987,7 0.759,8 3.883,9 4.011,10 3.507,11 3.465,12 5.087,13 3.458,14 4.325,15 4.464,16 3.855,17 3.846,18 5.53,19 3.812,20 4.569,21 4.762,22 3.855,23 3.932,24 5.683,25 3.876,26 4.589,27 4.803,28 3.803,29 3.878,30 5.71,31 3.814,32 4.553,33 4.763,34 3.708,35 3.791,36 5.75,37 3.73,38 4.486,39 4.724,40 3.514,41 3.675,42 5.585,43 3.588,44 4.291,45 4.544,46 3.288,47 3.512,48 5.259,49 3.402,50 4.114,51 4.352,52 3.244,53 3.371,54 5.15,55 3.275,56 0.08,57 0.674,58 7.688,59 3.316,60 10.048,61 4.116,62 0.176,63 1.02,64 12.432,65 5.722,66 17.76,67 7.41,68 0.206,69 1.237,70 18.607,71 7.15,72 30.735,73 9.325,74 0.149,75 1.225,76 19.911,77 7.58,78 27.02,79 10.206,80 0.235,81 1.151,82 19.692,83 7.025,84 44.027,85 9.033,86 0.255,87 1.062,88 19.548,89 6.697,90 44.253,91 8.913,92 0.167,93 0.874,94 16.23,95 5.881,96 26.846,97 8.191,98 0.145,99 0.738,100 13.128,101 5.25,102 18.157,103 7.28,104 5,105 40,106 0.261,107 0.515,108 0.641,109 0.78,110 0.839,111 0.847,112 3.304,113 0.845,114 -4.44,115 -4.37,116 -4.12,119 46.5,142 12,143 3,144 2,146 1,153 1,159 1,163 1,164 1,165 1,168 1,172 13,175 2,178 2,179 2,180 6,182 1,183 16,185 1,188 2,190 1,191 1,193 7,196 13,198 1,200 6,205 12,208 7,210 3,213 6,218 10,221 4,223 3,225 4,230 8,233 6,235 2,238 1,243 2,246 8,250 2,253 1,254 2,255 3,257 1,258 8,264 1,269 1,272 6,276 896,277 17.861,278 17.861,279 17.861,280 17.861,281 17.861,282 15.093,283 14.885,284 10.671,285 18.054,286 14.348,287 14.348,288 14.348,289 14.348,290 14.348,291 10.279,292 20.83,293 5.094,294 14.646,295 3.896,296 2.41,297 1.669,298 0.855,299 0.512,300 0.465,301 4.004,304 1,305 1,306 1,307 648,308 2.915,311 59.469,312 250.369,315 111.663,319 1.941,320 18.343,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 55.5,332 293,333 4.661,334 3.562,335 6.879,336 4.209,337 3.223,338 4.621,339 1.656,340 11.471,341 3.18,342 4.089,343 3.24,344 5.887,345 3.695,346 2.724,347 3.696,348 0.247,349 8.168,350 2.644,351 3.953,352 2.68,353 5.563,354 3.56,355 2.583,356 3.475,358 7.598,359 2.518,360 3.714,361 2.535,362 5.319,363 3.328,364 2.353,365 3.103,367 6.894,368 2.291,369 3.392,370 2.34,371 4.953,372 2.945,373 1.946,374 2.703,376 5.41,377 1.933,378 3.343,379 1.983,380 4.678,381 2.87,382 1.908,383 2.645,385 5.081,386 1.83,387 2.969,388 1.535,389 4.437,390 2.486,391 1.501,392 2.178,394 4.149,395 1.476,396 2.843,397 1.519,398 3.817,399 2.37,400 1.374,401 1.973,403 2.989,404 1.365,405 2.631,406 1.185,407 3.57,408 2.138,409 1.157,410 1.692,412 2.803,413 1.132,414 2.5,415 1,416 3.414,417 2,418 1,419 1.5,421 2.275,422 1,423 2.5,424 1,425 3.325,426 2,427 1,428 1.5,430 2.136,431 1,432 2.174,433 0.78,434 3.247,435 1.702,436 0.721,437 1.031,439 1.75,440 0.706,441 1.35,442 0.617,443 2.896,444 1.041,445 0.088,446 0.104,448 0.229,449 0.083,450 1.176,451 0.279,452 2.532,453 0.773,454 -0.227,455 -0.297,457 -0.539,458 -0.225,459 0.878,460 -0.296,461 2.29,462 0.45,463 -0.549,464 -0.7,466 -1.354,467 -0.534,468 12.333,469 0.474,470 0.554,471 0.021,472 39.5,473 1.519,474 23,475 0.885,476 16.5,477 0.635,478 15.546,479 0.598,480 26.067,481 0.606,482 28.181,483 1.084,484 8.084,485 0.311,486 4.619,487 0.178,488 0.059,490 0.324,496 0.883,497 0.947,498 0.765,499 0.779,500 0.761,501 0.747,502 0.457,503 1.107,504 0.817,505 1.065,506 0.518,507 1.01,508 1.08,509 1.046,510 1.032,511 1.006,512 0.991,513 1.009,514 0.963,515 1.171,516 0.96,517 1.112,518 0.799,519 1.045,520 1.503,521 1.104,522 1.133,523 1.066,524 1.605,525 1.057,526 1.399,527 0.989,528 1.137,529 0.971,530 1.482,531 1.012,532 0.893,533 0.932,534 1.007,535 0.963,536 0.828,537 0.99,538 0.503,539 0.884,540 0.828,541 1.05,542 0.601,543 1.006,544 4.5,545 0.098,546 2.444,547 1.847,548 1.097,549 0.736,550 0.451,551 0.214,552 0.146,553 0.182,554 9050,555 24354,556 2.148,557 39.5,559 12,562 5,567 1.685,568 2.053,569 3.421,570 2.52,571 1,572 1,577 65.794,578 1.53,579 3.016,580 3.757,581 4.571,582 4.915,583 4.961,584 2.874,585 3.719,586 4.673,587 3.65,588 1186.23,589 8.064,590 15249.6,592 1,594 1,595 233.329,596 1.239,597 4.65,598 0.155,599 0.005,600 0.061,601 0.047,602 0.03,603 0.023,604 0.017,605 0.01,606 0.007,607 0.01,608 0.368,609 0.17,610 1,611 0.465,612 128.978,613 -0.082,614 0.186,615 0.01,616 0.144,617 -0.147,618 0.104,619 0.295,620 -0.042,621 -0.013,622 -0.108,623 0.106,624 -0.112,625 -0.129,626 -0.026,627 -0.113,628 -0.049,629 -0.102,630 -0.073,631 -0.042,632 -0.196,633 0.003,634 -0.135,635 0.078,636 -0.069,637 -0.22,638 -0.132,639 -0.138,640 -0.104,641 -0.121,642 -0.108,643 -0.22,644 -0.036,645 -0.103,646 0.002,647 -0.184,648 -0.027,649 -0.072,650 -0.002,651 0.017,652 0.04,653 -0.075,654 0.044,655 0.286,656 0.032,657 0.177,658 -0.031,659 0.146,660 0.035,661 1.954,662 5.07,663 0.808,664 24.426,665 1.003,666 1.121,667 3.211,668 10.311,669 0.699,670 3.401,671 3.714,672 3.989,673 4.277,674 4.454,675 4.443,676 4.585,677 4.71,678 4.7,679 4.779,680 6.835,681 0.674,682 343.42,683 3.401,684 4.934,685 5.784,686 6.661,687 7.526,688 8.408,689 9.281,690 10.166,691 11.044,692 11.933,693 11.6,697 1,700 2,701 1,703 1,708 2,709 12,710 1,711 1,714 5,716 22,727 1,735 43,737 23,738 3,739 29,741 46,742 20,743 19,744 6,745 12,748 4,749 5,753 1,762 20,767 1,772 1,776 1,779 1,780 1,783 17,784 5,785 5,786 6,792 5,797 0.75,798 1,807 1,815 1,816 3,819 1,843 3,851 26,852 1,860 2,874 2.3,877 1,881 12.667,882 7.45,883 5.694,884 2.343,886 4.06,887 1.543,888 1.055,889 4.397,890 11.534,891 3.738,892 4.373,893 4.99,894 5.632,895 6.155,896 6.395,897 6.86,898 7.302,899 7.507,900 7.869,901 1,902 39,903 9.533,905 4.065,906 7.763,907 18.035,909 14.724,911 2.263,912 58.833,915 1,916 141.253,917 136.92,918 102.245,920 25.145,923 136.92,924 166.398,925 102.245,927 36.022,928 146.612,929 41.808,930 35.593,931 4.276,932 141.253,934 141.253,935 239.165,936 25.145,939 141.253,940 25.145,943 57.157,944 165.346,945 16.663,947 141.253,948 127.39,949 136.92,952 141.253,953 23.205,954 113.715,955 52.685,956 74.705,957 141.253,958 127.39,959 136.92,961 0.577,962 0.337,963 0.191,964 0.1,965 20,966 8,967 0.065,968 3,969 1,970 1.095,971 3.932,972 216.771,973 0.095,974 21,975 114.211,981 16.332,982 6.999,983 3.475,984 1.722,985 110.727,986 22.75,987 4.186,988 2.81,991 3.977,993 85.582,994 405.563,995 41,1000 12.07,1004 -0.287,1007 43.138,1008 48.192,1009 0.282,1010 0.556,1011 0.692,1012 0.842,1013 0.906,1014 0.914,1015 4.945,1016 1.374,1017 5.753,1018 4.149,1019 4.394,1020 5.059,1021 1.758,1022 6.55,1023 4.354,1024 6.16,1025 1.157,1026 7.295,1027 2.989,1028 3.892,1029 4.796,1030 1.195,1031 7.427,1032 3.826,1033 7.464,1034 1,1035 8.94,1036 2.803,1037 5.964,1038 7.305,1039 2.415,1040 10.557,1041 5.882,1042 8.806,1043 1,1044 10.649,1045 2.275,1046 6.312,1047 7.923,1048 2.324,1049 12.35,1050 6.208,1051 10.183,1052 0.721,1053 12.402,1054 2.136,1055 7.828,1056 9.866,1057 3.244,1058 14.998,1059 7.712,1060 11.585,1061 0.088,1062 14.188,1063 1.75,1064 8.59,1065 10.934,1066 3.407,1067 17.177,1068 8.456,1069 13.009,1070 -0.227,1071 16,1072 0.229,1073 9.876,1074 12.632,1075 4.156,1076 19.676,1077 9.732,1078 3.223,1079 -0.549,1080 17.832,1081 -0.539,1082 10.842,1083 13.934,1084 4.464,1085 22.013,1086 10.683,1087 2.724,1088 11.471,1089 19.68,1090 -1.354,1091 12.037,1092 15.525,1093 5.111,1094 24.468,1095 11.867,1096 2.583,1097 8.168,1098 21.542,1099 4.621,1100 13.102,1101 16.944,1102 5.504,1103 26.867,1104 12.92,1105 2.353,1106 7.598,1107 23.416,1108 3.696,1109 14.265,1110 18.493,1111 6.091,1112 29.309,1113 14.073,1114 1.946,1115 6.894,1116 25.298,1117 3.475,1118 15.378,1119 19.968,1120 6.531,1121 31.732,1122 15.175,1123 1.908,1124 5.41,1125 27.189,1126 3.103,1127 16.533,1128 21.501,1129 7.083,1130 34.171,1131 16.319,1132 1.501,1133 5.081,1134 29.086,1135 2.703,1136 17.671,1137 23.004,1138 7.551,1139 36.604,1140 17.445,1141 8443,1142 13972,1143 19.879,1144 30.051,1145 43.609,1146 44.264,1147 44.25,1148 43.14,1149 43.155,1150 60.443,1151 3.806,1152 121.907,1153 42.319,1154 5.525,1155 5.562,1156 6.681,1157 5.247,1158 5.223,1159 7.621,1160 2.912,1161 18.697,1162 5.18,1163 9.18,1164 1.504,1165 1.526,1166 1.526,1167 1.488,1168 1.488,1169 2.084,1170 0.131,1171 4.204,1172 1.459,1173 4.129,1174 4.165,1175 4.099,1176 4.046,1177 7.431,1178 4.053,1179 3.915,1180 3.954,1181 3.855,1182 3.827,1183 5.242,1184 3.826,1185 3.842,1186 3.879,1187 3.781,1188 3.757,1189 4.805,1190 3.76,1191 3.445,1192 3.507,1193 3.386,1194 3.216,1195 4.764,1196 3.243,1197 3.373,1198 3.429,1199 3.286,1200 3.132,1201 4.69,1202 3.173,1203 3,1204 3.065,1205 2.921,1206 2.873,1207 4.318,1208 2.879,1209 2.854,1210 2.942,1211 2.708,1212 2.735,1213 4.008,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.793,1220 2.715,1221 0.161,1222 0.123,1223 0.237,1224 0.145,1225 0.111,1226 4.661,1227 0.159,1228 3.562,1229 0.057,1230 6.879,1231 0.396,1232 4.209,1233 0.11,1234 3.223,1235 4.621,1236 1.656,1237 11.471,1238 3.18,1239 2.009,1240 1.991,1241 2.085,1242 2.073,1243 1.235,1244 2.078,1245 1.887,1246 1.856,1247 2.01,1248 1.992,1249 1.062,1250 1.998,1251 1.777,1252 1.748,1253 1.885,1254 1.875,1255 0.979,1256 1.88,1257 1.396,1258 1.312,1259 1.544,1260 1.746,1261 0.458,1262 1.694,1263 1.261,1264 1.214,1265 1.395,1266 1.563,1267 0.345,1268 1.519,1269 0.978,1270 0.926,1271 1.181,1272 1.222,1273 0.228,1274 1.211,1275 0.894,1276 0.831,1277 1.181,1278 1.104,1279 0.218,1280 1.112,1281 0.886,1282 0.821,1283 1.161,1284 1.062,1285 0.218,1286 1.107,1287 4.078,1289 5.389,1290 2.398,1291 6.897,1292 4.727,1293 8.494,1294 6.823,1295 10.139,1301 6,1305 5.605,1314 28.983,1315 65.794,1316 129.681,1317 161.555,1318 196.574,1319 211.329,1320 213.329,1321 34.384,1322 7.475,1323 95.83,1324 95.83,1325 23,1326 12.465,1327 4.585,1328 3.7,1329 38.333,1330 111,1331 100,1332 0.173,1333 178.81,1334 296.27,1335 428.056,1336 19001,1338 17.933,1339 0.69,1340 0.533,1341 17.933,1342 13.861,1343 12.704,1344 0.438,1345 0.282,1346 8.079,1347 12.338,1348 7.93,1349 6.605,1350 12.704,1351 8.166,1352 11.348,1353 0.284,1354 0.146,1355 11.348,1356 5.859,1357 9.494,1358 0.179,1359 0.077,1360 9.494,1361 4.094,1362 8.302,1363 0.117,1364 0.041,1365 8.302,1366 2.881,1367 6.566,1368 0.077,1369 0.022,1370 6.566,1371 1.881,1372 0.278,1373 78.812,1374 0.224,1375 25.491,1376 0.459,1377 138,1378 377.691,1379 149.012,1380 378.882,1381 527.87,1382 354,1383 162,1384 402.44,1385 172.265,1386 410.978,1387 596.58,1388 388,1389 6.2}
{0 CHEMBL220057,1 1.511,2 11.37,3 3.964,4 15.712,5 107.698,6 7.771,7 0.733,8 3.94,9 4.071,10 3.542,11 3.519,12 5.124,13 3.505,14 4.396,15 4.547,16 3.898,17 3.904,18 5.574,19 3.865,20 4.626,21 4.812,22 3.906,23 4.01,24 5.724,25 3.946,26 4.699,27 4.922,28 3.861,29 3.967,30 5.787,31 3.89,32 4.651,33 4.873,34 3.746,35 3.863,36 5.804,37 3.791,38 4.566,39 4.812,40 3.588,41 3.737,42 5.652,43 3.648,44 4.385,45 4.632,46 3.346,47 3.572,48 5.403,49 3.47,50 4.201,51 4.446,52 3.323,53 3.464,54 5.206,55 3.364,56 0.073,57 0.714,58 8.656,59 3.665,60 10.169,61 4.706,62 0.18,63 1.086,64 14.492,65 6.385,66 20.215,67 8.508,68 0.171,69 1.311,70 19.844,71 7.811,72 27.23,73 10.372,74 0.14,75 1.352,76 23.07,77 8.628,78 30.274,79 11.943,80 0.249,81 1.26,82 22.617,83 7.716,84 47.021,85 10.31,86 0.222,87 1.136,88 21.662,89 7.398,90 42.967,91 10.207,92 0.233,93 0.944,94 18.147,95 6.11,96 38.326,97 8.361,98 0.145,99 0.798,100 14.632,101 5.805,102 18.871,103 8.136,104 10,105 42,106 0.255,107 0.57,108 0.703,109 0.835,110 0.87,111 0.877,112 3.339,113 0.858,114 -5.07,115 -4.97,116 -4.65,119 45.7,120 1,142 11,143 4,144 2,147 1,152 1,159 1,163 1,164 1,165 1,168 1,172 14,175 1,177 1,178 3,179 1,180 7,183 18,185 1,188 2,192 1,193 7,195 1,196 14,198 1,200 7,205 12,208 8,210 3,213 6,218 10,221 4,223 3,225 5,230 9,233 6,235 2,238 1,243 2,246 8,250 2,253 1,254 2,255 3,257 1,258 10,264 1,269 1,272 8,276 1030,277 18.309,278 18.309,279 18.309,280 18.309,281 18.309,282 15.515,283 17.311,284 10.791,285 18.502,286 14.831,287 14.831,288 14.831,289 14.831,290 14.831,291 10.69,292 24.218,293 5.143,294 15.127,295 4.012,296 2.141,297 1.355,298 0.571,299 0.364,300 0.321,301 4.038,304 1,305 1,306 1,307 675,308 3,311 62.779,312 262.472,315 117.778,319 1.959,320 18.659,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 57.5,332 307,333 4.661,334 3.563,335 6.879,336 4.209,337 3.223,338 4.621,339 1.656,340 11.471,341 3.18,342 4.105,343 3.24,344 5.887,345 3.721,346 2.748,347 3.701,348 0.247,349 8.171,350 2.672,351 4.044,352 2.745,353 5.618,354 3.623,355 2.639,356 3.654,358 7.772,359 2.597,360 3.755,361 2.666,362 5.395,363 3.392,364 2.413,365 3.118,367 7.102,368 2.354,369 3.476,370 2.349,371 4.956,372 3.086,373 2.101,374 2.758,376 5.724,377 2.062,378 3.344,379 2.136,380 4.9,381 2.872,382 1.913,383 2.702,385 5.401,386 1.832,387 3.168,388 1.983,389 4.558,390 2.748,391 1.749,392 2.384,394 4.71,395 1.738,396 2.953,397 1.535,398 4.41,399 2.463,400 1.474,401 2.144,403 4.114,404 1.454,405 2.658,406 1.24,407 3.817,408 2.179,409 1.181,410 1.729,412 2.803,413 1.178,414 2.631,415 1.185,416 3.479,417 2.137,418 1.156,419 1.692,421 2.587,422 1.132,423 2.5,424 1,425 3.414,426 2,427 1,428 1.5,430 2.275,431 1,432 2.174,433 0.78,434 3.326,435 1.702,436 0.721,437 1.031,439 1.751,440 0.706,441 1.35,442 0.621,443 2.947,444 1.041,445 0.088,446 0.104,448 0.234,449 0.083,450 1.184,451 0.282,452 2.555,453 0.778,454 -0.222,455 -0.292,457 -0.543,458 -0.22,459 0.889,460 -0.132,461 2.314,462 0.567,463 -0.43,464 -0.531,466 -1.005,467 -0.428,468 12.833,469 0.475,470 0.661,471 0.024,472 40,473 1.481,474 23,475 0.852,476 17,477 0.63,478 17.55,479 0.65,480 27.367,481 0.595,482 29.108,483 1.078,484 8.122,485 0.301,486 4.975,487 0.184,488 0.096,490 0.351,496 0.877,497 0.972,498 0.786,499 0.816,500 0.77,501 0.782,502 0.445,503 1.062,504 0.772,505 1.004,506 0.478,507 0.948,508 1.044,509 1.112,510 1.064,511 1.089,512 0.983,513 1.081,514 0.928,515 1.179,516 0.947,517 1.11,518 0.776,519 1.041,520 1.53,521 1.069,522 1.142,523 1.029,524 1.59,525 1.035,526 1.297,527 1.022,528 1.032,529 0.974,530 1.358,531 0.97,532 1.423,533 0.887,534 1.146,535 0.897,536 1.496,537 0.971,538 0.482,539 0.844,540 0.775,541 0.981,542 0.561,543 0.936,544 5.5,545 0.11,546 2.667,547 2.16,548 1.208,549 0.847,550 0.451,551 0.277,552 0.195,553 0.192,554 9969,555 25854,556 2.12,557 41.3,558 3,559 11,562 5,567 1.695,568 2,569 3.444,570 2.474,572 1,577 69.525,578 1.511,579 3.383,580 4.169,581 4.953,582 5.159,583 5.203,584 2.852,585 4.459,586 4.729,587 3.687,588 1294.26,589 8.174,590 17230.3,592 1,594 1,595 254.084,596 1.352,597 4.694,598 0.183,599 0.006,600 0.063,601 0.053,602 0.032,603 0.026,604 0.016,605 0.013,606 0.009,607 0.01,608 0.41,609 0.17,610 1,611 0.528,612 135.876,613 -0.068,614 0.175,615 0.015,616 0.131,617 -0.145,618 0.096,619 0.311,620 0.006,621 0.066,622 -0.024,623 0.152,624 -0.02,625 -0.118,626 -0.079,627 -0.161,628 -0.121,629 -0.122,630 -0.143,631 -0.019,632 -0.204,633 0.021,634 -0.13,635 0.091,636 -0.06,637 -0.227,638 -0.085,639 -0.137,640 -0.075,641 -0.138,642 -0.089,643 -0.134,644 -0.074,645 -0.001,646 -0.002,647 -0.08,648 0.015,649 -0.249,650 0.068,651 -0.117,652 0.074,653 -0.253,654 0.01,655 0.288,656 0.077,657 0.218,658 0.037,659 0.169,660 0.099,661 1.95,662 5.182,663 0.778,664 25.783,665 1,666 1.122,667 3.84,668 14.746,669 0.692,670 3.434,671 3.761,672 4.025,673 4.317,674 4.489,675 4.5,676 4.605,677 4.745,678 4.727,679 4.812,680 7.056,681 0.663,682 357.45,683 3.434,684 4.977,685 5.826,686 6.708,687 7.572,688 8.458,689 9.329,690 10.217,691 11.092,692 11.983,693 10.9,697 1,700 2,701 1,703 1,708 2,709 11,710 1,711 1,714 6,716 22,727 1,735 46,737 23,738 3,739 30,741 49,742 21,743 19,744 7,745 11,748 4,749 5,753 1,754 1,762 20,763 1,767 1,772 1,776 1,780 1,783 19,784 5,785 5,786 6,792 5,797 0.75,798 1,807 1,815 1,816 3,819 1,843 3,847 1,851 27,852 1,860 2,874 2.2,877 1,881 13.5,882 8.367,883 5.861,884 2.538,886 4.099,887 1.542,888 1.046,889 4.629,890 11.666,891 3.761,892 4.41,893 5.02,894 5.664,895 6.181,896 6.439,897 6.868,898 7.317,899 7.515,900 7.881,901 1,902 41,903 9.91,905 4.215,906 7.741,907 18.809,909 15.367,911 2.241,912 60.5,915 1,916 164.795,917 139.455,918 102.245,920 25.145,923 139.455,924 189.94,925 102.245,926 8.825,927 36.022,928 137.136,929 41.808,930 34.306,931 8.748,932 164.795,934 164.795,935 241.7,936 25.145,939 164.795,940 25.145,943 61.51,944 163.527,945 16.663,947 164.795,948 127.39,949 139.455,952 164.795,953 26.391,954 113.064,955 52.685,956 74.705,957 164.795,958 127.39,959 139.455,961 0.583,962 0.337,963 0.19,964 0.099,965 21,966 9,967 0.061,968 3,969 1,970 1.095,971 3.984,972 228.412,973 0.095,974 21,975 122.382,981 17.28,982 7.232,983 3.698,984 1.792,985 110.727,986 21.167,987 4.072,988 2.922,991 5.014,993 85.582,994 431.64,995 42,1000 12.182,1004 -0.283,1007 46.022,1008 51.607,1009 0.274,1010 0.612,1011 0.755,1012 0.897,1013 0.934,1014 0.942,1015 4.98,1016 1.474,1017 5.808,1018 4.71,1019 4.443,1020 5.097,1021 1.758,1022 6.611,1023 4.404,1024 6.205,1025 1.181,1026 7.357,1027 4.114,1028 4.007,1029 4.902,1030 1.195,1031 7.489,1032 3.949,1033 7.517,1034 1.156,1035 9.004,1036 2.803,1037 6.023,1038 7.352,1039 2.415,1040 10.607,1041 5.947,1042 8.865,1043 1,1044 10.712,1045 2.587,1046 6.399,1047 7.999,1048 2.324,1049 12.381,1050 6.304,1051 10.244,1052 0.721,1053 12.461,1054 2.275,1055 7.888,1056 9.914,1057 3.244,1058 15.027,1059 7.779,1060 11.647,1061 0.088,1062 14.241,1063 1.751,1064 8.658,1065 10.992,1066 3.407,1067 17.194,1068 8.533,1069 13.07,1070 -0.222,1071 16.046,1072 0.234,1073 9.93,1074 12.674,1075 4.156,1076 19.691,1077 9.793,1078 3.223,1079 -0.43,1080 17.872,1081 -0.543,1082 10.896,1083 13.977,1084 4.464,1085 22.022,1086 10.745,1087 2.748,1088 11.471,1089 19.714,1090 -1.005,1091 12.083,1092 15.559,1093 5.111,1094 24.475,1095 11.92,1096 2.639,1097 8.171,1098 21.571,1099 4.621,1100 13.145,1101 16.976,1102 5.504,1103 26.871,1104 12.969,1105 2.413,1106 7.772,1107 23.44,1108 3.701,1109 14.303,1110 18.519,1111 6.091,1112 29.312,1113 14.115,1114 2.101,1115 7.102,1116 25.319,1117 3.654,1118 15.413,1119 19.991,1120 6.531,1121 31.734,1122 15.213,1123 1.913,1124 5.724,1125 27.206,1126 3.118,1127 16.564,1128 21.52,1129 7.083,1130 34.173,1131 16.353,1132 1.749,1133 5.401,1134 29.1,1135 2.758,1136 17.698,1137 23.02,1138 7.551,1139 36.605,1140 17.475,1141 9347,1142 15187,1143 20.285,1144 31.813,1145 45.339,1146 45.905,1147 46.374,1148 44.782,1149 44.811,1150 62.276,1151 3.806,1152 128.228,1153 43.975,1154 5.527,1155 5.563,1156 6.436,1157 5.25,1158 5.223,1159 7.621,1160 2.912,1161 18.697,1162 5.18,1163 11.776,1164 1.511,1165 1.53,1166 1.546,1167 1.493,1168 1.494,1169 2.076,1170 0.127,1171 4.274,1172 1.466,1173 4.134,1174 4.17,1175 4.102,1176 4.049,1177 7.431,1178 4.056,1179 3.936,1180 3.973,1181 3.876,1182 3.858,1183 5.248,1184 3.856,1185 3.85,1186 3.886,1187 3.791,1188 3.761,1189 4.801,1190 3.765,1191 3.449,1192 3.503,1193 3.394,1194 3.202,1195 4.752,1196 3.237,1197 3.356,1198 3.421,1199 3.266,1200 3.151,1201 4.68,1202 3.177,1203 3.154,1204 3.235,1205 2.985,1206 3,1207 4.321,1208 2.987,1209 3.026,1210 3.11,1211 2.912,1212 2.871,1213 4.032,1214 2.876,1215 2.865,1216 2.962,1217 2.722,1218 2.735,1219 3.876,1220 2.715,1221 0.155,1222 0.119,1223 0.229,1224 0.14,1225 0.107,1226 4.661,1227 0.154,1228 3.563,1229 0.055,1230 6.879,1231 0.382,1232 4.209,1233 0.106,1234 3.223,1235 4.621,1236 1.656,1237 11.471,1238 3.18,1239 2.013,1240 1.995,1241 2.089,1242 2.08,1243 1.241,1244 2.084,1245 1.914,1246 1.884,1247 2.036,1248 2.012,1249 1.131,1250 2.02,1251 1.785,1252 1.755,1253 1.895,1254 1.896,1255 0.989,1256 1.897,1257 1.356,1258 1.284,1259 1.56,1260 1.694,1261 0.615,1262 1.64,1263 1.295,1264 1.232,1265 1.485,1266 1.586,1267 0.408,1268 1.559,1269 1.157,1270 1.088,1271 1.37,1272 1.388,1273 0.311,1274 1.418,1275 1.04,1276 0.975,1277 1.249,1278 1.298,1279 0.273,1280 1.295,1281 0.897,1282 0.835,1283 1.181,1284 1.099,1285 0.218,1286 1.112,1287 4.111,1289 5.434,1290 2.398,1291 6.946,1292 4.727,1293 8.547,1294 6.823,1295 10.195,1297 1.981,1301 5.986,1305 5.666,1314 30.509,1315 69.525,1316 155.612,1317 191.765,1318 227.819,1319 237.329,1320 239.329,1321 37.103,1322 7.567,1323 95.83,1324 95.83,1325 23,1326 12.515,1327 4.585,1328 3.7,1329 40.529,1330 118,1331 99,1332 0.17,1333 188.402,1334 313.57,1335 451.462,1336 21456,1338 18.803,1339 0.696,1340 0.548,1341 18.803,1342 14.784,1343 13.097,1344 0.437,1345 0.286,1346 8.489,1347 12.732,1348 8.266,1349 6.913,1350 13.097,1351 8.577,1352 11.982,1353 0.285,1354 0.151,1355 11.982,1356 6.363,1357 9.814,1358 0.178,1359 0.079,1360 9.814,1361 4.347,1362 8.653,1363 0.117,1364 0.042,1365 8.653,1366 3.088,1367 6.696,1368 0.076,1369 0.022,1370 6.696,1371 1.972,1372 0.273,1373 81.175,1374 0.222,1375 26.316,1376 0.449,1377 144,1378 385.691,1379 155.012,1380 387.803,1381 540.44,1382 362,1383 169,1384 412.44,1385 179.265,1386 422.836,1387 612.96,1388 398,1389 6.1}
{0 CHEMBL220241,1 1.674,2 18.643,3 3.394,4 11.52,5 155.448,6 7.926,7 0.574,8 4.413,9 4.524,10 4.034,11 3.874,12 5.571,13 3.895,14 4.938,15 5.1,16 4.382,17 4.243,18 6.058,19 4.253,20 5.146,21 5.342,22 4.405,23 4.357,24 6.227,25 4.335,26 5.178,27 5.38,28 4.372,29 4.378,30 6.253,31 4.326,32 5.202,33 5.424,34 4.335,35 4.349,36 6.244,37 4.305,38 5.138,39 5.344,40 4.316,41 4.31,42 6.276,43 4.266,44 5.065,45 5.274,46 4.203,47 4.259,48 6.136,49 4.206,50 4.996,51 5.214,52 4.114,53 4.19,54 6.052,55 4.115,56 0.231,57 1.121,58 13.687,59 5.917,60 17.066,61 7.437,62 0.604,63 1.738,64 27.136,65 9.574,66 39.483,67 12.392,68 0.938,69 1.986,70 36.684,71 11.965,72 62.21,73 15.844,74 0.863,75 2.029,76 37.524,77 13.356,78 64.278,79 18.008,80 0.857,81 1.98,82 41.028,83 13.166,84 73.914,85 18.051,86 1.071,87 1.905,88 37.457,89 12.129,90 84.463,91 16.487,92 0.813,93 1.805,94 34.128,95 11.194,96 66.017,97 15.094,98 0.717,99 1.627,100 32.332,101 11.766,102 62.421,103 16.198,104 11,105 65,106 0.257,107 0.617,108 0.759,109 0.842,110 0.86,111 0.86,112 3.764,113 0.871,114 -3.36,115 -3.34,116 -3.2,119 40.3,120 1,125 7,142 9,143 1,144 3,145 1,146 2,147 2,152 1,158 1,161 1,163 1,164 1,165 1,166 2,172 6,174 3,175 9,177 1,178 2,180 3,183 7,187 5,188 6,190 2,191 2,193 3,196 3,199 6,200 9,202 2,203 3,205 3,208 5,212 1,213 6,221 6,224 4,225 13,228 2,230 3,233 8,235 2,237 3,238 6,240 1,241 1,246 4,249 3,250 10,252 1,253 2,258 5,263 1,264 8,267 2,272 3,276 4070,277 29.04,278 29.04,279 29.04,280 29.04,281 29.04,282 25.76,283 34.392,284 17.243,285 29.947,286 23.191,287 23.191,288 23.191,289 23.191,290 23.191,291 18.134,292 40.97,293 8.155,294 24.616,295 4.496,296 2.149,297 1.226,298 0.681,299 0.566,300 0.566,301 4.48,307 1741,308 3.873,311 234.349,312 605.664,315 195.479,319 3.184,320 42,323 0.5,324 0.33,325 0.5,326 0.6,327 0.5,328 0.5,329 0.5,330 0.49,331 93,332 783,333 4.698,334 3.573,335 6.907,336 4.226,337 3.284,338 4.638,339 1.058,340 11.62,341 3.091,342 4.233,343 3.332,344 6.261,345 3.865,346 2.877,347 3.888,348 0.86,349 9.284,350 2.847,351 4.21,352 3.067,353 6.063,354 3.772,355 2.816,356 3.796,357 0.86,358 8.758,359 2.686,360 4.058,361 2.937,362 5.668,363 3.629,364 2.671,365 3.662,366 0.86,367 7.914,368 2.559,369 3.763,370 2.819,371 5.435,372 3.447,373 2.532,374 3.178,375 0.8,376 7.053,377 2.315,378 3.678,379 2.805,380 5.358,381 3.347,382 2.417,383 3.055,385 6.955,386 2.243,387 3.513,388 2.527,389 5.303,390 3.236,391 2.296,392 2.732,394 6.751,395 2.135,396 3.399,397 2.188,398 5.221,399 2.971,400 2.029,401 2.523,403 6.275,404 1.903,405 3.236,406 2.17,407 4.876,408 2.791,409 1.842,410 2.503,412 5.498,413 1.743,414 3.072,415 2.013,416 4.794,417 2.604,418 1.669,419 2.302,421 4.975,422 1.557,423 2.815,424 1.96,425 4.057,426 2.454,427 1.561,428 1.867,430 3.462,431 1.391,432 2.649,433 1.73,434 3.989,435 2.309,436 1.339,437 1.693,439 3.195,440 1.28,441 2.563,442 1.461,443 3.674,444 2.155,445 1.169,446 1.589,448 2.89,449 1.148,450 2.551,451 1.256,452 3.558,453 2.106,454 1.147,455 1.547,457 2.593,458 1.098,459 2.5,460 1.254,461 3.49,462 2.032,463 1.07,464 1.5,466 2.407,467 1.026,468 19.367,469 0.461,470 0.862,471 0.021,472 57,473 1.357,474 27.5,475 0.655,476 29.5,477 0.702,478 35.211,479 0.838,480 45.433,481 0.631,482 48.577,483 1.157,484 11.494,485 0.274,486 9.074,487 0.216,488 0.064,490 0.325,496 0.798,497 1.407,498 0.717,499 1.153,500 0.708,501 0.952,502 1.046,503 1.16,504 0.85,505 1.004,506 0.669,507 0.902,508 1.117,509 0.916,510 0.98,511 0.901,512 0.886,513 0.91,514 0.844,515 1.042,516 0.981,517 1.131,518 0.957,519 1.104,520 1.106,521 0.995,522 0.933,523 0.943,524 1.232,525 0.909,526 0.972,527 0.981,528 0.99,529 0.956,530 0.888,531 0.975,532 1.081,533 0.945,534 1.112,535 0.994,536 1.063,537 1.044,538 0.69,539 0.983,540 0.921,541 1.106,542 0.861,543 1.079,544 7.5,545 0.205,546 4,547 2.764,548 1.939,549 1.407,550 0.828,551 0.508,552 0.386,553 0.329,554 37755,555 104603,556 2.158,557 41.7,559 23,561 1,562 3,564 3,567 1.805,568 2.066,569 4.13,570 0.796,577 120.537,578 1.674,579 4.021,580 4.943,581 5.489,582 5.604,583 5.604,584 3.624,585 4.833,586 5.36,587 4.368,588 3760.76,589 9.44,590 73332.4,595 444.235,596 1.224,597 5.344,598 0.16,599 0.005,600 0.062,601 0.043,602 0.032,603 0.023,604 0.014,605 0.01,606 0.008,607 0.007,608 0.363,609 0.33,610 0.63,611 0.529,612 247.426,613 0.029,614 -0.191,615 0.072,616 -0.092,617 -0.024,618 -0.015,619 -0.044,620 -0.045,621 0.049,622 -0.005,623 0.074,624 0.032,625 -0.068,626 0.119,627 -0.019,628 0.08,629 0.026,630 0.046,631 0.073,632 -0.03,633 -0.032,634 -0.119,635 0.052,636 -0.111,637 -0.106,638 -0.04,639 0.065,640 0.056,641 -0.1,642 0.094,643 0.062,644 0.011,645 -0.009,646 0.035,647 0.093,648 0.005,649 -0.121,650 0.079,651 -0.152,652 -0.008,653 -0.145,654 -0.071,655 0.146,656 -0.022,657 0.041,658 -0.066,659 0.101,660 -0.041,661 1.91,662 5.898,663 0.762,664 67.934,665 1.016,666 1.133,667 2.128,668 4.528,669 0.662,670 3.871,671 4.19,672 4.477,673 4.754,674 4.956,675 5.05,676 5.193,677 5.347,678 5.438,679 5.557,680 10.741,681 0.646,682 570.67,683 3.871,684 5.416,685 6.271,686 7.148,687 8.017,688 8.901,689 9.779,690 10.667,691 11.551,692 12.444,693 11.1,696 1,697 1,700 1,701 1,703 4,708 2,709 10,710 4,712 1,714 8,715 1,716 27,723 1,727 1,733 2,735 72,737 28,738 2,739 47,741 77,742 29,743 20,744 4,745 8,746 1,748 6,749 7,754 1,762 21,763 8,767 1,772 1,776 1,783 30,784 12,785 3,786 13,789 1,792 8,797 0.833,798 5,809 1,815 2,816 4,819 1,839 1,842 1,843 5,847 1,851 42,852 1,858 7,860 1,861 3,864 1,874 6.9,877 1,878 1,879 3,881 20.333,882 13.2,883 9.25,884 4.369,886 5.026,887 1.55,888 0.999,889 8.623,890 14.161,891 4.135,892 4.741,893 5.345,894 5.956,895 6.463,896 6.827,897 7.279,898 7.742,899 8.067,900 8.456,901 1,902 65,903 15.483,905 6.603,906 7.746,907 29.386,909 23.88,911 2.246,912 94.333,916 317.82,917 163.008,918 128.696,920 68.105,923 163.008,924 385.925,925 128.696,926 8.825,927 40.211,928 118.183,929 127.713,930 67.362,931 9.287,932 306.049,934 317.82,935 291.704,936 68.105,939 282.506,940 92.419,941 11,943 70.336,944 148.604,945 72.764,947 317.82,948 196.801,949 163.008,952 317.82,953 59.849,954 108.182,955 18.011,956 173.767,957 317.82,958 196.801,959 163.008,961 0.576,962 0.341,963 0.188,964 0.099,965 31,966 13,967 0.13,968 10,969 1,970 1.063,971 5.384,972 417.181,973 0.063,974 32,975 216.477,981 28.123,982 12.879,983 6.579,984 1.439,985 194.902,986 17.597,987 16.506,989 4.744,991 3.746,992 1.927,993 50.908,994 677.629,995 61.5,1000 12.898,1004 -0.243,1007 73.171,1008 81.601,1009 0.271,1010 0.652,1011 0.801,1012 0.89,1013 0.908,1014 0.908,1015 5.369,1016 2.029,1017 6.24,1018 6.751,1019 4.875,1020 5.429,1021 2.156,1022 7.038,1023 4.764,1024 6.565,1025 1.842,1026 7.785,1027 6.275,1028 4.369,1029 5.198,1030 0.325,1031 7.895,1032 4.212,1033 7.867,1034 1.669,1035 9.429,1036 5.498,1037 6.454,1038 7.638,1039 1.981,1040 11.01,1041 6.241,1042 9.207,1043 1.561,1044 11.134,1045 4.975,1046 6.804,1047 8.289,1048 0.268,1049 12.747,1050 6.547,1051 10.582,1052 1.339,1053 12.88,1054 3.462,1055 8.315,1056 10.17,1057 1.873,1058 15.378,1059 8.01,1060 11.982,1061 1.169,1062 14.654,1063 3.195,1064 9.071,1065 11.247,1066 0.188,1067 17.504,1068 8.719,1069 13.402,1070 1.147,1071 16.451,1072 2.89,1073 10.35,1074 12.9,1075 1.81,1076 19.987,1077 9.952,1078 3.284,1079 1.07,1080 18.266,1081 2.593,1082 11.307,1083 14.193,1084 0.125,1085 22.289,1086 10.858,1087 2.877,1088 11.62,1089 20.096,1090 2.407,1091 12.495,1092 15.753,1093 1.785,1094 24.733,1095 11.998,1096 2.816,1097 9.284,1098 21.938,1099 4.638,1100 13.552,1101 17.157,1102 0.082,1103 27.113,1104 12.999,1105 2.671,1106 8.758,1107 23.792,1108 3.888,1109 14.71,1110 18.683,1111 1.792,1112 29.551,1113 14.105,1114 2.532,1115 7.914,1116 25.655,1117 3.796,1118 15.819,1119 20.144,1120 0.054,1121 31.967,1122 15.155,1123 2.417,1124 7.053,1125 27.526,1126 3.662,1127 16.972,1128 21.661,1129 1.823,1130 34.408,1131 16.252,1132 2.296,1133 6.955,1134 29.405,1135 3.178,1136 18.109,1137 23.152,1138 0.035,1139 36.841,1140 17.328,1141 34529,1142 57837,1143 32.304,1144 47.693,1145 70.2,1146 71.429,1147 71.445,1148 69.724,1149 69.728,1150 91.048,1151 8.877,1152 198.001,1153 65.881,1154 5.698,1155 5.573,1156 6.709,1157 5.329,1158 5.284,1159 7.638,1160 2.117,1161 19.134,1162 5.091,1163 15.945,1164 1.494,1165 1.52,1166 1.52,1167 1.483,1168 1.484,1169 1.937,1170 0.189,1171 4.213,1172 1.402,1173 4.138,1174 4.18,1175 4.118,1176 3.981,1177 7.429,1178 4.009,1179 3.965,1180 3.991,1181 3.915,1182 3.87,1183 5.438,1184 3.877,1185 3.868,1186 3.896,1187 3.814,1188 3.788,1189 5.091,1190 3.789,1191 3.797,1192 3.852,1193 3.738,1194 3.582,1195 4.854,1196 3.597,1197 3.757,1198 3.797,1199 3.679,1200 3.5,1201 4.84,1202 3.552,1203 3.478,1204 3.553,1205 3.372,1206 3.268,1207 4.807,1208 3.27,1209 3.427,1210 3.468,1211 3.318,1212 3.198,1213 4.623,1214 3.217,1215 3.274,1216 3.321,1217 3.153,1218 3.05,1219 4.511,1220 3.072,1221 0.1,1222 0.076,1223 0.147,1224 0.09,1225 0.07,1226 4.698,1227 0.099,1228 3.573,1229 0.023,1230 6.907,1231 0.247,1232 4.226,1233 0.066,1234 3.284,1235 4.638,1236 1.058,1237 11.62,1238 3.091,1239 1.925,1240 1.903,1241 2.019,1242 2.052,1243 1.255,1244 2.039,1245 1.881,1246 1.858,1247 1.98,1248 2.016,1249 1.141,1250 2.006,1251 1.826,1252 1.794,1253 1.948,1254 1.977,1255 1.093,1256 1.972,1257 1.732,1258 1.67,1259 1.932,1260 1.927,1261 1.044,1262 1.932,1263 1.63,1264 1.576,1265 1.787,1266 1.831,1267 0.916,1268 1.814,1269 1.382,1270 1.316,1271 1.65,1272 1.626,1273 0.884,1274 1.629,1275 1.365,1276 1.309,1277 1.555,1278 1.62,1279 0.825,1280 1.615,1281 1.174,1282 1.136,1283 1.513,1284 1.486,1285 0.599,1286 1.429,1287 4.554,1289 5.872,1290 3.045,1291 7.378,1292 5.416,1293 8.968,1294 7.526,1295 10.603,1297 1.981,1301 5.882,1303 5.386,1305 2.916,1306 17.246,1309 2.308,1314 46.54,1315 120.537,1316 289.489,1317 355.931,1318 395.215,1319 403.48,1320 403.48,1321 69.642,1322 9.135,1323 155.68,1324 155.68,1325 34,1326 12.973,1327 4.858,1328 3.954,1329 62.166,1330 273,1331 296,1332 0.107,1333 280.867,1334 479.23,1335 677.076,1336 167819,1338 28.89,1339 0.688,1340 0.548,1341 28.89,1342 23.025,1343 20.568,1344 0.438,1345 0.29,1346 13.36,1347 19.408,1348 13.161,1349 10.826,1350 20.568,1351 13.641,1352 18.21,1353 0.28,1354 0.148,1355 18.21,1356 9.6,1357 15.69,1358 0.18,1359 0.079,1360 15.69,1361 6.862,1362 13.377,1363 0.116,1364 0.041,1365 13.377,1366 4.698,1367 10.478,1368 0.074,1369 0.022,1370 10.478,1371 3.032,1372 0.178,1373 131.328,1374 0.176,1375 38.523,1376 0.272,1377 224,1378 734.193,1379 255.125,1380 690.82,1381 954.36,1382 650,1383 264,1384 727.787,1385 296.821,1386 718.58,1387 1051.51,1388 677,1389 5.1}
{0 CHEMBL2205426,1 1.583,2 13.387,3 3.042,4 9.255,5 120.1,6 7.821,7 0.529,8 4.079,9 4.195,10 3.678,11 3.617,12 5.29,13 3.614,14 4.527,15 4.697,16 4.025,17 3.943,18 5.716,19 3.93,20 4.75,21 4.943,22 4.021,23 4.053,24 5.979,25 4.003,26 4.815,27 5.063,28 3.946,29 4.039,30 5.855,31 3.958,32 4.71,33 4.905,34 4.007,35 4.01,36 5.892,37 3.966,38 4.769,39 4.97,40 3.912,41 3.923,42 6.007,43 3.889,44 4.664,45 4.883,46 3.77,47 3.794,48 5.86,49 3.743,50 4.549,51 4.792,52 3.646,53 3.745,54 5.634,55 3.671,56 0.076,57 0.814,58 9.888,59 4.376,60 14.551,61 5.479,62 0.197,63 1.248,64 17.275,65 6.836,66 24.833,67 9.129,68 0.461,69 1.48,70 22.914,71 7.885,72 59.14,73 10.829,74 0.426,75 1.453,76 27.872,77 9.869,78 55.226,79 14.097,80 0.248,81 1.388,82 22.193,83 8.283,84 37.046,85 11.26,86 0.505,87 1.374,88 25.462,89 7.651,90 73.02,91 9.841,92 0.549,93 1.213,94 23.949,95 7.389,96 71.504,97 9.766,98 0.415,99 1.132,100 21.089,101 6.59,102 47.405,103 9.406,104 28,105 49,106 0.26,107 0.613,108 0.704,109 0.767,110 0.782,111 0.788,112 3.471,113 0.858,114 -3.4,115 -3.38,116 -3.23,119 43.4,120 3,130 1,138 2,142 7,143 2,144 1,145 3,147 1,150 1,156 2,172 7,174 2,175 8,178 2,180 2,183 12,187 1,188 1,191 2,192 1,193 2,196 8,199 1,200 5,203 3,205 2,208 4,212 1,213 10,216 1,218 5,225 6,228 1,230 6,233 2,237 1,238 7,241 2,242 1,246 5,250 5,253 2,254 1,258 1,264 6,269 5,272 1,276 1681,277 20.463,278 20.463,279 20.463,280 20.463,281 20.463,282 17.688,283 25.678,284 11.954,285 20.893,286 16.811,287 16.811,288 16.811,289 16.811,290 16.811,291 12.681,292 48.681,293 5.744,294 17.574,295 4.145,296 1.994,297 1.442,298 1.057,299 0.968,300 0.93,301 4.162,305 1,306 1,307 893,308 3.674,310 82.554,312 334.026,319 2.246,320 29.825,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 67,332 415,333 4.699,334 3.646,335 6.983,336 4.308,337 3.35,338 4.24,339 0.6,340 11.77,341 3.204,342 4.252,343 3.186,344 6.382,345 3.993,346 3.023,347 3.896,348 0.6,349 9.913,350 2.927,351 4.125,352 2.936,353 6.143,354 3.871,355 2.879,356 3.685,357 0.4,358 9.058,359 2.862,360 4.062,361 2.812,362 5.687,363 3.641,364 2.711,365 3.291,367 8.009,368 2.52,369 3.782,370 2.558,371 5.356,372 3.355,373 2.393,374 3.166,376 6.982,377 2.3,378 3.417,379 2.171,380 4.988,381 2.933,382 1.995,383 2.725,385 5.723,386 1.869,387 3.219,388 1.929,389 4.877,390 2.716,391 1.763,392 2.505,394 4.554,395 1.676,396 2.975,397 1.841,398 4.706,399 2.382,400 1.452,401 2.009,403 4.486,404 1.343,405 2.835,406 1.722,407 4.424,408 2.357,409 1.418,410 1.845,412 4.264,413 1.324,414 2.643,415 1.244,416 3.515,417 2.125,418 1.186,419 1.689,421 2.713,422 1.11,423 2.611,424 1.15,425 3.488,426 2.081,427 1.133,428 1.642,430 2.596,431 1.071,432 2.5,433 1,434 3.414,435 2,436 1,437 1.5,439 2.275,440 1,441 2.5,442 1,443 3.247,444 1.984,445 1,446 1.5,448 2.136,449 0.983,450 1.585,451 0.959,452 3.23,453 1.136,454 0.262,455 0.328,457 0.668,458 0.228,459 1.395,460 0.241,461 2.954,462 1.047,463 0.101,464 0.126,466 0.263,467 0.095,468 14.567,469 0.47,470 0.959,471 0.031,472 44,473 1.419,474 23.5,475 0.758,476 20.5,477 0.661,478 24.343,479 0.785,480 32.233,481 0.608,482 33.211,483 1.071,484 8.596,485 0.277,486 6.202,487 0.2,488 0.149,489 0.034,490 0.309,496 0.981,497 1.3,498 0.778,499 1.007,500 1.036,501 0.888,502 0.684,503 1.134,504 0.696,505 0.975,506 0.606,507 0.858,508 0.87,509 1.125,510 1.109,511 1.084,512 0.721,513 1.109,514 0.631,515 0.848,516 0.761,517 0.836,518 0.645,519 0.824,520 0.867,521 1.22,522 0.92,523 1.152,524 0.794,525 1.059,526 1.849,527 1.106,528 1.278,529 1.011,530 1.903,531 1.047,532 1.582,533 0.97,534 1.138,535 0.9,536 1.763,537 0.957,538 0.975,539 0.824,540 1.024,541 0.814,542 0.901,543 0.893,544 7.5,545 0.181,546 3.111,547 2.688,548 1.658,549 1.139,550 0.708,551 0.46,552 0.382,553 0.242,554 14340,555 39060,556 2.057,557 41.5,559 7,561 3,562 3,564 9,567 1.733,568 1.908,569 3.69,570 0.876,572 1,577 83.921,578 1.583,579 3.734,580 4.286,581 4.671,582 4.76,583 4.798,584 3.112,585 4.389,586 4.926,587 3.898,588 1812.73,589 8.583,590 27034.9,592 1,595 303.58,596 1.595,597 4.87,598 0.221,599 0.007,600 0.066,601 0.061,602 0.039,603 0.026,604 0.019,605 0.014,606 0.013,607 0.008,608 0.474,609 0.33,610 1,611 0.904,612 164.136,613 -0.126,614 -0.159,615 0.018,616 0.005,617 -0.199,618 0.027,619 0.127,620 -0.027,621 0.176,622 0.003,623 0.109,624 0.076,625 0.075,626 -0.031,627 -0.193,628 -0.142,629 0.101,630 -0.193,631 0.171,632 0.097,633 0.237,634 0.167,635 0.121,636 0.203,637 0.04,638 -0.187,639 0.004,640 -0.17,641 0.083,642 -0.1,643 -0.325,644 -0.092,645 -0.263,646 -0.089,647 -0.282,648 -0.153,649 -0.115,650 -0.002,651 -0.096,652 0.042,653 -0.195,654 -0.025,655 -0.007,656 0.189,657 -0.023,658 0.129,659 -0.043,660 0.069,661 1.956,662 3.984,663 0.71,664 35.23,665 1.006,666 1.127,667 2.165,668 4.688,669 0.68,670 3.555,671 3.912,672 4.127,673 4.357,674 4.564,675 4.585,676 4.663,677 4.754,678 4.875,679 4.942,680 7.942,681 0.656,682 414.51,683 3.555,684 5.118,685 5.958,686 6.851,687 7.712,688 8.607,689 9.478,690 10.375,691 11.252,692 12.15,693 11.3,701 1,702 2,703 3,709 10,710 3,714 5,716 18,728 1,735 53,737 21,738 1,739 34,741 56,742 23,743 15,744 2,745 4,746 4,748 4,749 4,754 3,762 19,763 4,764 1,767 3,775 2,776 4,780 1,783 22,784 8,785 3,786 8,792 6,797 1,798 2,809 1,810 1,814 1,816 3,826 2,834 2,841 2,843 4,847 3,851 31,857 2,860 1,865 1,874 3.8,876 2,881 16.25,882 10.483,883 6.597,884 2.976,886 4.537,887 1.58,888 0.941,889 5.535,890 12.362,891 3.85,892 4.472,893 5.039,894 5.576,895 6.122,896 6.337,897 6.775,898 7.174,899 7.589,900 7.926,901 0.889,902 44,903 11.4,905 4.864,906 7.815,907 21.394,909 17.268,911 2.315,912 71.75,915 1,916 223.651,917 138.82,918 101.938,920 85.367,923 138.82,924 309.018,925 101.938,926 26.476,928 66.334,929 176.55,930 87.852,931 4.227,932 188.338,934 223.651,935 240.758,936 85.367,939 117.711,940 191.307,943 107.099,944 83.303,945 50.357,947 223.651,948 187.305,949 138.82,952 223.651,953 18.868,954 119.952,955 18.011,956 169.294,957 223.651,958 187.305,959 138.82,961 0.591,962 0.323,963 0.171,964 0.098,965 24,966 11,967 0.089,968 5,970 1,971 4.311,972 271.438,974 22,975 140.825,981 20.704,982 8.288,983 4.787,985 187.305,986 18.467,987 12.632,991 3.676,993 103.377,994 549.776,995 46,1003 8.74,1004 -0.068,1007 53.334,1008 59.73,1009 0.276,1010 0.652,1011 0.748,1012 0.815,1013 0.831,1014 0.838,1015 5.103,1016 1.452,1017 5.984,1018 4.554,1019 4.595,1020 5.159,1021 1.015,1022 6.819,1023 4.509,1024 6.345,1025 1.418,1026 7.562,1027 4.486,1028 4.369,1029 4.945,1031 7.897,1032 4.252,1033 7.676,1034 1.186,1035 9.243,1036 4.264,1037 6.275,1038 7.359,1039 0.451,1040 10.944,1041 6.115,1042 9.041,1043 1.133,1044 10.987,1045 2.713,1046 6.836,1047 7.917,1049 12.81,1050 6.644,1051 10.437,1052 1,1053 12.769,1054 2.596,1055 8.268,1056 9.819,1057 0.178,1058 15.448,1059 8.04,1060 11.856,1061 1,1062 14.58,1063 2.275,1064 9.166,1065 10.761,1067 17.629,1068 8.901,1069 13.292,1070 0.262,1071 16.41,1072 2.136,1073 10.423,1074 12.422,1075 0.066,1076 20.137,1077 10.123,1078 3.35,1079 0.101,1080 18.257,1081 0.668,1082 11.47,1083 13.574,1085 22.458,1086 11.13,1087 3.023,1088 11.77,1089 20.117,1090 0.263,1091 12.665,1092 15.113,1093 0.024,1094 24.923,1095 12.287,1096 2.879,1097 9.913,1098 21.988,1099 4.24,1100 13.78,1101 16.383,1103 27.31,1104 13.36,1105 2.711,1106 9.058,1107 23.867,1108 3.896,1109 14.956,1110 17.86,1111 0.009,1112 29.764,1113 14.496,1114 2.393,1115 8.009,1116 25.754,1117 3.685,1118 16.105,1119 19.196,1121 32.184,1122 15.601,1123 1.995,1124 6.982,1125 27.648,1126 3.291,1127 17.279,1128 20.643,1129 0.003,1130 34.636,1131 16.733,1132 1.763,1133 5.723,1134 29.547,1135 3.166,1136 18.446,1137 22.018,1139 37.074,1140 17.854,1141 13651,1142 22716,1143 22.364,1144 36.034,1145 52.614,1146 52.27,1147 52.317,1148 51.274,1149 51.332,1150 68.295,1151 3.2,1152 150.822,1153 49.022,1154 5.559,1155 5.646,1156 6.785,1157 5.383,1158 5.35,1159 7.24,1160 1.2,1161 19.77,1162 5.204,1163 16.837,1164 1.547,1165 1.537,1166 1.539,1167 1.508,1168 1.51,1169 2.009,1170 0.094,1171 4.436,1172 1.442,1173 4.02,1174 4.056,1175 3.982,1176 3.938,1177 6.539,1178 3.94,1179 3.944,1180 3.973,1181 3.911,1182 3.822,1183 6.391,1184 3.845,1185 3.797,1186 3.85,1187 3.752,1188 3.646,1189 5.058,1190 3.662,1191 3.692,1192 3.74,1193 3.623,1194 3.573,1195 4.922,1196 3.581,1197 3.608,1198 3.654,1199 3.484,1200 3.475,1201 4.714,1202 3.471,1203 3.078,1204 3.147,1205 3.006,1206 2.893,1207 4.656,1208 2.913,1209 2.874,1210 3.009,1211 2.78,1212 2.735,1213 4.341,1214 2.715,1215 2.874,1216 3.009,1217 2.687,1218 2.735,1219 3.992,1220 2.715,1221 0.138,1222 0.107,1223 0.205,1224 0.127,1225 0.099,1226 4.699,1227 0.125,1228 3.646,1229 0.018,1230 6.983,1231 0.346,1232 4.308,1233 0.094,1234 3.35,1235 4.24,1236 0.6,1237 11.77,1238 3.204,1239 1.971,1240 1.945,1241 2.063,1242 2.068,1243 1.163,1244 2.064,1245 1.874,1246 1.847,1247 1.988,1248 2.026,1249 1.154,1250 2.01,1251 1.741,1252 1.693,1253 1.866,1254 1.92,1255 0.904,1256 1.91,1257 1.673,1258 1.626,1259 1.811,1260 1.817,1261 0.857,1262 1.822,1263 1.582,1264 1.541,1265 1.691,1266 1.748,1267 0.722,1268 1.74,1269 1.013,1270 0.952,1271 1.417,1272 1.247,1273 0.469,1274 1.308,1275 0.934,1276 0.821,1277 1.417,1278 1.239,1279 0.469,1280 1.308,1281 0.934,1282 0.821,1283 1.185,1284 1.239,1285 0.235,1286 1.237,1287 4.234,1289 5.609,1291 7.179,1293 8.826,1295 10.515,1297 5.687,1302 19.896,1305 3.144,1310 -0.425,1314 34.772,1315 83.921,1316 197.915,1317 227.134,1318 247.541,1319 252.296,1320 254.296,1321 55.375,1322 7.825,1323 115.88,1324 115.88,1325 22,1326 12.678,1327 4.459,1328 3.7,1329 49.689,1330 149,1331 145,1332 0.161,1333 215.45,1334 376.22,1335 517.458,1336 30101,1338 22.01,1339 0.71,1340 0.561,1341 22.01,1342 17.404,1343 14.799,1344 0.435,1345 0.286,1346 9.599,1347 14.275,1348 9.254,1349 7.766,1350 14.799,1351 9.724,1352 14.36,1353 0.293,1354 0.163,1355 14.36,1356 7.966,1357 10.95,1358 0.18,1359 0.072,1360 10.95,1361 4.366,1362 8.925,1363 0.116,1364 0.037,1365 8.925,1366 2.877,1367 7.345,1368 0.077,1369 0.02,1370 7.345,1371 1.887,1372 0.26,1373 92.506,1374 0.211,1375 29.652,1376 0.421,1377 166,1378 480.858,1379 182.086,1380 476.286,1381 658.81,1382 444,1383 193,1384 499.342,1385 209.39,1386 509.953,1387 741.97,1388 478,1389 5.538}
{0 CHEMBL2205766,1 1.793,2 9.417,3 1.184,4 1.403,5 92.917,6 8.249,7 0.615,8 3.858,9 3.978,10 3.672,11 3.388,12 4.983,13 3.358,14 4.382,15 4.55,16 3.996,17 3.772,18 5.757,19 3.74,20 4.599,21 4.773,22 4.011,23 3.941,24 5.784,25 3.851,26 4.786,27 5.035,28 3.935,29 3.915,30 5.974,31 3.802,32 4.555,33 4.732,34 3.755,35 3.73,36 5.891,37 3.678,38 4.409,39 4.605,40 3.674,41 3.679,42 5.595,43 3.583,44 4.465,45 4.727,46 3.582,47 3.534,48 5.574,49 3.452,50 4.14,51 4.331,52 3.453,53 3.376,54 5.438,55 3.285,56 0.14,57 0.713,58 10.59,59 3.7,60 19.014,61 4.451,62 0.428,63 1.085,64 17.255,65 6.268,66 61.24,67 7.902,68 0.369,69 1.284,70 22.996,71 7.869,72 40.246,73 9.497,74 0.631,75 1.264,76 39.369,77 11.063,78 83.669,79 13.55,80 0.599,81 1.031,82 22.412,83 6.971,84 104.184,85 8.052,86 0.288,87 1.007,88 18.874,89 6.69,90 31.617,91 8.488,92 0.458,93 0.933,94 23.478,95 5.923,96 58.252,97 8.491,98 0.408,99 0.745,100 13.471,101 4.631,102 39.779,103 6.219,104 40,105 40,106 0.312,107 0.663,108 0.755,109 0.783,110 0.783,111 0.783,112 3.229,113 1.008,114 -2.85,115 -2.86,116 -2.77,119 35.7,120 3,130 1,142 3,143 2,144 1,145 2,150 1,151 1,161 1,163 1,164 1,165 1,166 1,172 4,174 3,175 4,177 2,178 4,180 3,183 7,188 8,190 1,191 1,193 1,196 2,199 2,200 14,203 1,205 2,210 1,213 5,218 3,221 3,223 2,224 2,225 8,230 3,233 3,235 1,237 1,243 1,246 3,248 1,249 4,252 1,253 3,258 6,263 2,267 1,276 762,277 15.091,278 15.091,279 15.091,280 15.091,281 15.091,282 13.005,283 10.781,284 8.506,285 15.533,286 12.875,287 12.875,288 12.875,289 12.875,290 12.875,291 9.617,292 11.314,293 4.082,294 13.604,295 3.599,296 1.579,297 1.049,298 0.888,299 0.888,300 0.888,301 3.898,305 1,306 1,307 475,308 4,311 56.166,312 138.836,315 96.253,319 1.5,320 31.51,323 1,324 1,325 1,326 0.8,328 1,329 1,330 0.83,331 53,332 226,333 4.877,334 4.691,335 7.356,336 4.395,337 3.464,338 4.714,340 12.767,341 3.217,342 4.503,343 3.18,344 6.362,345 4.01,346 3.05,347 4.444,349 9.806,350 2.941,351 4.119,352 3.052,353 6.312,354 3.904,355 2.951,356 3.69,358 9.639,359 2.786,360 3.991,361 2.716,362 6.032,363 3.652,364 2.683,365 3.054,367 8.715,368 2.58,369 3.454,370 2.077,371 4.899,372 2.942,373 2,374 2.851,376 5.546,377 1.891,378 3.21,379 1.799,380 4.784,381 2.711,382 1.765,383 2.488,385 5.094,386 1.66,387 3.013,388 1.521,389 4.452,390 2.475,391 1.518,392 2.262,394 4.343,395 1.45,396 2.733,397 1.329,398 4.222,399 2.215,400 1.236,401 1.825,403 3.528,404 1.206,405 2.579,406 1.101,407 3.498,408 2.024,409 1.083,410 1.614,412 2.497,413 1.016,414 1.903,415 0.412,416 3.278,417 1.378,418 0.41,419 0.61,421 1.08,422 0.396,423 1,424 0.206,425 3.161,426 0.638,427 -0.324,428 -0.358,430 -1.098,431 -0.308,432 0.963,433 -0.28,434 2.687,435 0.523,436 -0.435,437 -0.574,439 -1.201,440 -0.415,441 0.861,442 -0.348,443 2.593,444 0.277,445 -0.652,446 -0.851,448 -1.628,449 -0.6,450 0.756,451 -0.604,452 2.209,453 0.161,454 -0.782,455 -1,457 -2.208,458 -0.725,459 0.657,460 -0.946,461 2,463 -1,464 -1,466 -2.705,467 -0.931,468 11.4,469 0.475,470 1.033,471 0.043,472 33.25,473 1.385,474 17.5,475 0.729,476 15.75,477 0.656,478 18.777,479 0.782,480 26.4,481 0.629,482 24.816,483 1.034,484 6.124,485 0.255,486 5.014,487 0.209,488 0.225,489 0.117,490 0.254,496 0.617,497 1.42,498 0.822,499 1.277,500 0.791,501 0.959,502 0.532,503 1.027,504 0.71,505 0.874,506 0.456,507 0.78,508 1.126,509 1.187,510 1.247,511 1.244,512 0.977,513 1.213,514 0.974,515 0.86,516 1.229,517 1.133,518 1.006,519 0.808,520 2.092,521 0.999,522 1.151,523 0.873,524 2.512,525 1.009,526 0.905,527 1.253,528 1.106,529 1.266,530 0.836,531 1.263,532 1.116,533 0.906,534 0.849,535 0.819,536 1.051,537 0.814,538 0.662,539 0.989,540 0.945,541 1.1,542 0.972,543 1.258,544 8.5,545 0.116,546 3.111,547 2.479,548 1.288,549 1.045,550 0.58,551 0.484,552 0.302,553 0.244,554 5877,555 18068,556 1.972,557 42.9,559 3,560 1,561 2,562 3,564 9,567 1.67,568 1.778,569 3.22,570 1.121,571 1,572 1,574 1,577 75.306,578 1.793,579 3.814,580 4.344,581 4.505,582 4.505,583 4.505,584 2.705,585 4.137,586 4.559,587 3.377,588 932.103,589 7.869,590 10740.9,591 1,592 1,595 226.477,596 1.825,597 4.459,598 0.327,599 0.011,600 0.078,601 0.069,602 0.036,603 0.035,604 0.021,605 0.02,606 0.015,607 0.015,608 0.627,609 0.33,610 1,611 1.264,612 113.18,613 0.078,614 -0.137,615 0.215,616 -0.083,617 -0.218,618 0.023,619 0.366,620 0.106,621 0.206,622 0.14,623 0.367,624 0.175,625 -0.222,626 -0.056,627 -0.213,628 -0.147,629 -0.141,630 -0.247,631 0.064,632 0.046,633 0.065,634 0.063,635 0.135,636 0.256,637 -0.515,638 -0.067,639 -0.245,640 0.058,641 -0.495,642 -0.093,643 -0.071,644 -0.208,645 -0.177,646 -0.253,647 -0.047,648 -0.278,649 -0.1,650 -0.008,651 0.116,652 0.088,653 -0.063,654 0.159,655 0.333,656 0.049,657 -0.097,658 -0.179,659 0.038,660 -0.32,661 4.569,662 5.453,663 0.625,664 18.396,665 1.015,666 1.139,667 1.624,668 2.638,669 0.67,670 3.296,671 3.714,672 3.871,673 4.174,674 4.317,675 4.369,676 4.554,677 4.654,678 4.663,679 4.718,680 5.691,681 0.641,682 346.46,683 3.296,684 4.89,685 5.727,686 6.65,687 7.506,688 8.426,689 9.291,690 10.207,691 11.078,692 11.99,693 14.3,695 1,697 1,701 1,703 3,708 1,709 6,710 3,714 4,716 16,727 1,735 42,737 18,739 26,741 44,742 15,743 11,748 3,749 4,754 3,762 11,763 4,764 1,767 2,770 1,772 2,779 1,780 1,783 18,784 7,785 3,786 9,787 1,792 6,797 0.667,798 2,809 2,815 1,816 2,819 1,843 2,845 1,847 3,851 24,852 1,855 1,860 1,865 1,871 1,874 4.8,877 2,881 13.5,882 8.383,883 4.889,884 2.232,886 3.312,887 1.468,888 0.977,889 3.978,890 10.388,891 3.611,892 4.327,893 4.857,894 5.499,895 6.017,896 6.376,897 6.896,898 7.324,899 7.606,900 8.016,901 1,902 36,903 9.066,905 4.133,906 8,907 16.503,909 13.658,911 2.5,912 60,916 176.567,917 99.39,918 100.7,920 44.313,922 5.807,923 93.583,924 220.879,925 100.7,926 26.476,928 92.586,929 119.805,930 27.181,931 13.67,932 141.253,934 176.567,935 194.283,936 44.313,937 5.807,939 70.627,940 150.253,943 65.754,944 78.295,945 56.042,947 176.567,948 145.013,949 99.39,951 5.807,952 176.567,953 11.536,954 83.211,955 16.405,956 127.444,957 176.567,958 145.013,959 99.39,961 0.611,962 0.316,963 0.174,964 0.088,965 21,966 10,967 0.091,968 4,969 1,970 1.133,971 3.451,972 197.83,973 0.133,974 15,975 103.284,980 1,981 16.681,982 5.724,983 3.685,984 0.575,985 143.849,986 9.78,987 12.16,991 1.72,993 49.302,994 420.97,995 36,998 -3.653,1000 24.906,1007 42.643,1008 47.82,1009 0.333,1010 0.707,1011 0.806,1012 0.835,1013 0.835,1014 0.835,1015 4.89,1016 1.236,1017 5.826,1018 4.343,1019 4.394,1020 5.014,1022 6.73,1023 4.29,1024 6.194,1025 1.083,1026 7.456,1027 3.528,1028 4.443,1029 5.255,1031 8.089,1032 4.278,1033 7.584,1034 0.41,1035 9.198,1036 2.497,1037 6.184,1038 7.42,1040 11.054,1041 5.965,1042 9.01,1043 -0.324,1044 11.004,1045 1.08,1046 6.929,1047 8.393,1049 13.133,1050 6.64,1051 10.463,1052 -0.435,1053 12.85,1054 -1.098,1055 8.292,1056 10.152,1058 15.757,1059 7.949,1060 11.938,1061 -0.652,1062 14.723,1063 -1.201,1064 9.306,1065 11.438,1067 18.103,1068 8.889,1069 13.429,1070 -0.782,1071 16.615,1072 -1.628,1073 10.55,1074 13.051,1076 20.642,1077 10.073,1078 3.464,1079 -1,1080 18.524,1081 -2.208,1082 11.673,1083 14.474,1085 23.095,1086 11.121,1087 3.05,1088 12.767,1089 20.444,1090 -2.705,1091 12.883,1092 16.033,1094 25.62,1095 12.264,1096 2.951,1097 9.806,1098 22.375,1099 4.714,1100 14.054,1101 17.515,1103 28.12,1104 13.359,1105 2.683,1106 9.639,1107 24.314,1108 4.444,1109 15.258,1110 19.055,1112 30.648,1113 14.492,1114 2,1115 8.715,1116 26.26,1117 3.69,1118 16.452,1119 20.564,1121 33.171,1122 15.609,1123 1.765,1124 5.546,1125 28.213,1126 3.054,1127 17.66,1128 22.098,1130 35.705,1131 16.743,1132 1.518,1133 5.094,1134 30.171,1135 2.851,1136 18.868,1137 23.62,1139 38.239,1140 17.872,1141 5837,1142 10405,1143 16.296,1144 28.159,1145 41.07,1146 40.995,1147 41.019,1148 40.334,1149 40.321,1150 55.103,1152 126.03,1153 38.284,1154 5.723,1155 6.691,1156 6.898,1157 5.46,1158 5.464,1159 7.714,1161 20.458,1162 5.166,1163 14.957,1164 1.58,1165 1.577,1166 1.578,1167 1.551,1168 1.551,1169 2.119,1171 4.847,1172 1.472,1173 4.136,1174 4.174,1175 4.736,1176 4.071,1177 7.717,1178 4.02,1179 4.018,1180 4.02,1181 4.073,1182 3.884,1183 6.999,1184 3.861,1185 3.719,1186 3.779,1187 3.684,1188 3.573,1189 5.303,1190 3.573,1191 3.517,1192 3.523,1193 3.494,1194 3.395,1195 4.882,1196 3.352,1197 3.298,1198 3.358,1199 3.242,1200 3.099,1201 4.736,1202 3.111,1203 2.909,1204 3.009,1205 2.811,1206 2.749,1207 4.368,1208 2.75,1209 2.874,1210 3.009,1211 2.657,1212 2.618,1213 4.145,1214 2.57,1215 2.874,1216 2.982,1217 2.499,1218 2.618,1219 3.9,1220 2.57,1221 0.188,1222 0.18,1223 0.283,1224 0.169,1225 0.133,1226 4.877,1227 0.181,1228 4.691,1230 7.356,1231 0.491,1232 4.395,1233 0.124,1234 3.464,1235 4.714,1237 12.767,1238 3.217,1239 1.992,1240 1.983,1241 2.033,1242 2.1,1243 1.22,1244 2.104,1245 1.825,1246 1.809,1247 1.963,1248 1.982,1249 1.139,1250 1.997,1251 1.676,1252 1.618,1253 1.783,1254 1.847,1255 0.94,1256 1.857,1257 1.325,1258 1.325,1259 1.45,1260 1.649,1261 0.469,1262 1.602,1263 1.299,1264 1.232,1265 1.417,1266 1.488,1267 0.469,1268 1.523,1269 0.934,1270 0.819,1271 1.417,1272 1.239,1273 0.467,1274 1.308,1275 0.934,1276 0.804,1277 1.141,1278 1.239,1279 0.259,1280 1.308,1281 0.877,1282 0.804,1283 1.109,1284 1.108,1285 0.056,1286 1.091,1287 3.97,1289 5.361,1290 2.398,1291 6.915,1292 4.727,1293 8.542,1294 6.804,1295 10.21,1297 5.35,1301 5.576,1305 2.613,1310 -0.577,1314 26.906,1315 75.306,1316 160.174,1317 182.438,1318 189.193,1319 189.193,1320 189.193,1321 49.677,1322 7.077,1323 115.27,1324 123.65,1325 17,1326 12.512,1327 4.248,1328 3.459,1329 39.265,1330 82,1331 78,1332 0.239,1333 171.873,1334 281.89,1335 411.13,1336 10155,1338 17.535,1339 0.731,1340 0.599,1341 17.785,1342 14.372,1343 11.139,1344 0.428,1345 0.336,1346 7.262,1347 9.885,1348 6.832,1349 5.767,1350 11.96,1351 8.737,1352 12.019,1353 0.3,1354 0.203,1355 13.306,1356 8.135,1357 8.063,1358 0.172,1359 0.104,1360 9.24,1361 4.876,1362 7.397,1363 0.116,1364 0.057,1365 8.634,1366 3.67,1367 5.306,1368 0.072,1369 0.029,1370 6.019,1371 2.171,1372 0.37,1373 78.577,1374 0.248,1375 23.159,1376 0.672,1377 132,1378 410.557,1379 184.4,1380 422.745,1381 574.55,1382 386,1383 153,1384 409.396,1385 215.53,1386 452.304,1387 653.13,1388 419,1389 5}
{0 CHEMBL221959,1 1.567,2 8.696,3 1.372,4 1.883,5 87.831,6 7.266,7 0.4,8 3.858,9 3.998,10 3.408,11 3.334,12 4.964,13 3.324,14 4.432,15 4.643,16 3.762,17 3.746,18 5.408,19 3.709,20 4.697,21 4.92,22 3.855,23 3.924,24 5.691,25 3.859,26 4.853,27 5.103,28 3.837,29 3.998,30 5.874,31 3.897,32 4.905,33 5.183,34 3.72,35 4.009,36 5.772,37 3.869,38 4.827,39 5.104,40 3.663,41 3.916,42 5.78,43 3.789,44 4.681,45 4.945,46 3.517,47 3.743,48 5.755,49 3.62,50 4.465,51 4.769,52 3.189,53 3.443,54 5.493,55 3.305,56 0.02,57 0.693,58 9.09,59 3.332,60 9.916,61 4.976,62 0.278,63 1.085,64 18.121,65 5.65,66 22.406,67 8.677,68 0.25,69 1.31,70 24.153,71 7.443,72 39.951,73 11.503,74 0.483,75 1.411,76 29.517,77 9.021,78 72.937,79 13.754,80 0.428,81 1.405,82 31.822,83 9.981,84 54.136,85 15.511,86 0.334,87 1.307,88 29.314,89 8.631,90 58.293,91 13.766,92 0.462,93 1.106,94 25.547,95 7.42,96 68.581,97 11.408,98 0.26,99 0.837,100 21.112,101 5.624,102 40.757,103 9.33,104 20,105 35,106 0.274,107 0.644,108 0.86,109 0.876,110 0.876,111 0.876,112 3.189,113 0.933,114 -3,115 -3.01,116 -2.9,119 37.2,120 1,121 2,122 1,124 1,125 2,127 1,142 1,143 1,147 1,148 1,151 1,158 2,161 1,172 3,174 3,175 8,178 1,180 2,183 1,187 1,188 6,199 3,200 3,203 2,208 2,212 2,213 5,221 4,225 4,230 1,233 3,237 3,238 5,241 1,243 2,246 1,250 2,258 1,263 2,264 2,267 1,269 1,276 709,277 15.56,278 15.56,279 15.56,280 15.56,281 15.56,282 14.091,283 16.291,284 9.16,285 15.944,286 12.26,287 12.26,288 12.26,289 12.26,290 12.26,291 9.988,292 21.804,293 4.2,294 12.86,295 3.859,296 1.738,297 0.5,298 0.407,299 0.407,300 0.407,301 3.866,304 1,305 1,306 1,307 426,308 3.317,311 47.145,312 133.048,315 88.881,319 1.361,320 22.725,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 50,332 200,333 4.557,334 4.093,335 6.803,336 4.155,337 3.205,338 4.474,339 2.65,340 11.145,341 3.046,342 4.076,343 3.667,344 6.327,345 3.883,346 2.919,347 3.218,348 1.749,349 9.527,350 2.813,351 3.838,352 3.345,353 5.963,354 3.58,355 2.613,356 3.056,357 0.8,358 8.302,359 2.528,360 3.477,361 2.888,362 5.451,363 3.125,364 2.176,365 2.619,366 0.547,367 6.657,368 2.054,369 3.365,370 2.381,371 4.576,372 2.508,373 1.554,374 2.321,376 4.315,377 1.481,378 3.048,379 2.038,380 4.211,381 2.485,382 1.543,383 1.92,385 3.807,386 1.46,387 2.703,388 1.614,389 4.104,390 2.479,391 1.52,392 1.708,394 3.61,395 1.437,396 2.521,397 1.547,398 3.659,399 1.947,400 1,401 1.5,403 2.362,404 0.945,405 2.5,406 1.512,407 3.396,408 1.868,409 0.917,410 1.283,412 2.222,413 0.869,414 2.103,415 1.046,416 3.069,417 1.839,418 0.848,419 1.031,421 1.399,422 0.831,423 1.723,424 1,425 2.957,426 1.323,427 0.392,428 0.523,430 0.97,431 0.364,432 1.18,433 0.458,434 2.508,435 0.849,436 -0.127,437 -0.135,439 -0.278,440 -0.123,441 0.963,442 0.157,443 2.291,444 0.419,445 -0.585,446 -0.785,448 -0.922,449 -0.552,450 0.772,451 -0.22,452 2.249,453 0.316,454 -0.614,455 -0.841,457 -1.49,458 -0.594,459 0.5,460 -0.501,461 1.95,462 0.112,463 -0.829,464 -1,466 -2.428,467 -0.78,468 10.733,469 0.467,470 0.559,471 0.024,472 29,473 1.261,474 13,475 0.565,476 16,477 0.696,478 19.759,479 0.859,480 25.267,481 0.588,482 19.773,483 0.86,484 5.462,485 0.237,486 5.651,487 0.246,488 0.161,490 0.354,496 0.785,497 1.683,498 0.793,499 1.281,500 0.477,501 1.069,502 0.81,503 1.013,504 0.86,505 0.91,506 0.488,507 0.885,508 1.057,509 1.244,510 1.01,511 1.144,512 0.839,513 1.079,514 1.012,515 0.926,516 1.059,517 1.027,518 0.787,519 1.054,520 0.811,521 0.904,522 0.977,523 0.993,524 0.721,525 1.012,526 0.939,527 0.99,528 1.011,529 1.021,530 0.943,531 1.02,532 1.186,533 0.907,534 1.136,535 1.024,536 1.404,537 1.08,538 0.98,539 0.917,540 0.952,541 0.928,542 0.899,543 0.923,544 4,545 0.041,546 3.333,547 1.75,548 1.217,549 0.903,550 0.469,551 0.359,552 0.131,553 0.091,554 5072,555 14465,556 2.041,557 46.5,558 3,559 9,560 1,561 1,562 1,563 2,564 3,567 1.662,568 1.89,569 3.116,570 -0.241,571 1,572 1,574 1,577 67.381,578 1.567,579 3.688,580 4.926,581 5.019,582 5.019,583 5.019,584 2.541,585 4.35,586 4.496,587 3.239,588 819.495,589 7.766,590 9094.07,592 1,595 233.329,596 1.478,597 4.443,598 0.16,599 0.007,600 0.095,601 0.047,602 0.035,603 0.029,604 0.016,605 0.015,606 0.008,607 0.008,608 0.42,609 0.5,610 1,611 1.226,612 105.892,613 -0.038,614 -0.402,615 0.063,616 -0.16,617 0.051,618 -0.052,619 0.09,620 0.131,621 0.072,622 0.099,623 0.039,624 0.086,625 -0.099,626 -0.183,627 -0.065,628 -0.131,629 -0.015,630 -0.098,631 0.006,632 0.061,633 -0.087,634 -0.041,635 0.074,636 -0.077,637 0.01,638 0.008,639 -0.006,640 0.009,641 -0.035,643 -0.091,644 -0.06,645 -0.036,646 -0.042,647 -0.079,648 -0.027,649 -0.041,650 0.02,651 -0.136,652 -0.062,653 -0.145,654 -0.115,655 -0.062,656 -0.056,657 0.059,658 0.002,659 0.016,660 0.052,661 1.757,662 5.035,663 0.652,664 16.253,665 1.003,666 1.142,667 1.775,668 3.15,669 0.647,670 3.258,671 3.584,672 3.892,673 4.143,674 4.317,675 4.382,676 4.454,677 4.5,678 4.431,679 4.443,680 5.258,681 0.617,682 312.42,683 3.258,684 4.796,685 5.659,686 6.544,687 7.427,688 8.318,689 9.208,690 10.101,691 10.994,692 11.889,693 14,699 1,700 1,701 1,702 1,703 2,708 2,709 3,710 2,711 1,714 1,716 10,730 1,735 43,737 12,739 25,741 45,742 16,743 6,748 3,749 4,754 1,757 2,758 1,760 3,761 1,762 7,763 8,764 1,767 1,772 1,776 1,779 1,780 1,783 20,784 6,785 1,786 7,792 6,797 0.667,798 1,810 1,811 1,815 1,816 2,819 1,825 1,830 1,843 2,847 2,851 23,858 4,863 2,864 2,866 1,870 1,872 1,874 2.3,877 1,881 12.167,882 8.333,883 5.167,884 2.635,886 2.176,887 1.315,888 0.951,889 4.495,890 9.091,891 3.526,892 4.047,893 4.606,894 5.172,895 5.559,896 5.842,897 6.175,898 6.484,899 6.31,900 6.53,901 0.833,902 37,903 8.495,905 3.583,906 7.819,907 16.252,909 13.401,911 2.319,912 53.333,916 223.651,917 81.567,918 87.665,920 25.145,923 81.567,924 248.796,925 87.665,926 17.222,927 12.405,928 18.524,929 93.509,930 62.161,931 14.099,932 200.109,934 223.651,935 169.231,936 25.145,939 188.338,940 60.458,943 79.409,944 56.252,945 33.571,947 223.651,948 112.809,949 81.567,952 223.651,953 20.601,954 50.612,955 33.387,956 89.775,957 223.651,958 112.809,959 81.567,961 0.578,962 0.355,963 0.194,964 0.099,965 17,966 8,967 0.067,968 3,969 1,970 1.133,971 3.412,972 186.366,973 0.133,974 15,975 104.042,981 15.766,982 6.557,983 3.02,984 1.783,985 96.024,986 5.369,987 8.656,988 3.094,991 0.864,993 16.786,994 418.027,995 33,1000 12.035,1004 -0.09,1007 43.123,1008 49.106,1009 0.289,1010 0.68,1011 0.908,1012 0.925,1013 0.925,1014 0.925,1015 4.783,1016 1,1017 5.652,1018 3.61,1019 4.263,1020 4.732,1021 3.059,1022 6.497,1023 4.171,1024 5.978,1025 0.917,1026 7.238,1027 2.362,1028 3.892,1029 4.511,1030 1.738,1031 7.483,1032 3.769,1033 7.281,1034 0.848,1035 8.928,1036 2.222,1037 5.883,1038 6.879,1039 4.68,1040 10.61,1041 5.702,1042 8.618,1043 0.392,1044 10.679,1045 1.399,1046 6.365,1047 7.584,1048 3.393,1049 12.417,1050 6.15,1051 9.988,1052 -0.127,1053 12.469,1054 0.97,1055 7.817,1056 9.418,1057 6.518,1058 15.061,1059 7.548,1060 11.383,1061 -0.585,1062 14.283,1063 -0.278,1064 8.668,1065 10.557,1066 5.294,1067 17.192,1068 8.358,1069 12.797,1070 -0.614,1071 16.115,1072 -0.922,1073 9.918,1074 12.188,1075 8.412,1076 19.673,1077 9.557,1078 3.205,1079 -0.829,1080 17.96,1081 -1.49,1082 10.929,1083 13.527,1084 7.317,1085 21.945,1086 10.524,1087 2.919,1088 11.145,1089 19.814,1090 -2.428,1091 12.105,1092 15.077,1093 10.325,1094 24.369,1095 11.648,1096 2.613,1097 9.527,1098 21.676,1099 4.474,1100 13.187,1101 16.505,1102 9.381,1103 26.705,1104 12.682,1105 2.176,1106 8.302,1107 23.545,1108 3.218,1109 14.337,1110 18.023,1111 12.246,1112 29.11,1113 13.781,1114 1.554,1115 6.657,1116 25.418,1117 3.056,1118 15.452,1119 19.49,1120 11.448,1121 31.479,1122 14.846,1123 1.543,1124 4.315,1125 27.295,1126 2.619,1127 16.596,1128 20.996,1129 14.171,1130 33.879,1131 15.938,1132 1.52,1133 3.807,1134 29.176,1135 2.321,1136 17.727,1137 22.481,1138 13.507,1139 36.264,1140 17.017,1141 5032,1142 8585,1143 16.414,1144 27.819,1145 38.783,1146 41.043,1147 39.434,1148 37.352,1149 37.373,1150 47.31,1151 11.491,1152 108.632,1153 35.657,1154 5.557,1155 6.093,1156 6.572,1157 5.236,1158 5.205,1159 7.474,1160 5.231,1161 18.665,1162 4.985,1163 11.679,1164 1.551,1165 1.642,1166 1.577,1167 1.494,1168 1.495,1169 1.892,1170 0.46,1171 4.345,1172 1.426,1173 4.1,1174 4.15,1175 4.064,1176 3.952,1177 7.428,1178 3.974,1179 3.895,1180 3.952,1181 3.8,1182 3.741,1183 6.817,1184 3.745,1185 3.595,1186 3.642,1187 3.517,1188 3.418,1189 5.122,1190 3.435,1191 3.408,1192 3.495,1193 3.296,1194 3.18,1195 4.498,1196 3.195,1197 3.22,1198 3.308,1199 3.103,1200 2.993,1201 4.354,1202 3.006,1203 3.213,1204 3.304,1205 3.067,1206 2.99,1207 4.065,1208 2.993,1209 3.001,1210 3.104,1211 2.761,1212 2.799,1213 3.811,1214 2.773,1215 2.844,1216 2.903,1217 2.703,1218 2.558,1219 3.731,1220 2.591,1221 0.182,1222 0.164,1223 0.272,1224 0.166,1225 0.128,1226 4.557,1227 0.179,1228 4.093,1229 0.106,1230 6.803,1231 0.446,1232 4.155,1233 0.122,1234 3.205,1235 4.474,1236 2.65,1237 11.145,1238 3.046,1239 1.902,1240 1.851,1241 2.07,1242 2.081,1243 1.441,1244 2.077,1245 1.773,1246 1.729,1247 1.856,1248 1.957,1249 0.99,1250 1.931,1251 1.53,1252 1.486,1253 1.709,1254 1.742,1255 0.847,1256 1.73,1257 1.466,1258 1.396,1259 1.641,1260 1.696,1261 0.804,1262 1.692,1263 1.289,1264 1.199,1265 1.601,1266 1.535,1267 0.679,1268 1.563,1269 1.196,1270 1.104,1271 1.534,1272 1.45,1273 0.604,1274 1.481,1275 1.036,1276 0.935,1277 1.421,1278 1.284,1279 0.593,1280 1.337,1281 0.869,1282 0.79,1283 1.09,1284 1.123,1285 0.256,1286 1.121,1287 3.932,1289 5.252,1290 2.398,1291 6.779,1292 4.595,1293 8.402,1294 6.605,1295 10.075,1297 4.205,1303 2.206,1308 0.606,1309 3.925,1312 8.739,1313 1.943,1314 26.531,1315 67.381,1316 158.574,1317 211.82,1318 215.82,1319 215.82,1320 215.82,1321 41.059,1322 6.915,1323 88.91,1324 88.91,1325 17,1326 12.415,1327 3.7,1328 3.17,1329 36.646,1330 71,1331 84,1332 0.255,1333 166.338,1334 282.79,1335 397.625,1336 8339,1338 16.397,1339 0.713,1340 0.581,1341 16.397,1342 13.359,1343 11.113,1344 0.445,1345 0.311,1346 7.64,1347 10.602,1348 7.414,1349 6.159,1350 11.113,1351 7.771,1352 9.789,1353 0.28,1354 0.173,1355 9.789,1356 6.056,1357 8.578,1358 0.179,1359 0.097,1360 8.578,1361 4.666,1362 7.119,1363 0.115,1364 0.053,1365 7.119,1366 3.256,1367 5.314,1368 0.072,1369 0.03,1370 5.314,1371 2.188,1372 0.387,1373 70.171,1374 0.247,1375 22.155,1376 0.736,1377 120,1378 352.294,1379 133.066,1380 343.07,1381 463.41,1382 320,1383 143,1384 336.58,1385 157.178,1386 341.037,1387 495.21,1388 319,1389 5.184}
{0 CHEMBL223257,1 1.835,2 12.5,3 2.09,4 4.366,5 112.761,6 8.591,7 0.353,8 4.116,9 4.211,10 3.77,11 3.545,12 5.347,13 3.58,14 4.64,15 4.779,16 4.117,17 3.894,18 5.861,19 3.906,20 4.927,21 5.109,22 4.282,23 4.034,24 6.21,25 4.036,26 4.941,27 5.127,28 4.273,29 4.069,30 6.19,31 4.055,32 4.961,33 5.138,34 4.311,35 4.146,36 6.188,37 4.122,38 5.038,39 5.209,40 4.422,41 4.217,42 6.312,43 4.194,44 5.099,45 5.279,46 4.386,47 4.271,48 6.344,49 4.229,50 5.048,51 5.263,52 4.156,53 4.109,54 6.272,55 4.038,56 0.276,57 0.769,58 9.171,59 4.525,60 31.738,61 5.158,62 0.728,63 1.131,64 19.57,65 7.575,66 66.067,67 8.984,68 1.304,69 1.342,70 33.05,71 9.659,72 128.625,73 12.047,74 1.269,75 1.373,76 33.16,77 9.993,78 108.084,79 12.782,80 1.156,81 1.467,82 34.107,83 10.401,84 102.379,85 13.167,86 1.333,87 1.576,88 35.725,89 10.974,90 121.802,91 13.738,92 1.333,93 1.669,94 41.301,95 11.905,96 133.801,97 15.227,98 1.321,99 1.466,100 39.731,101 11.021,102 149.015,103 14.74,104 33,105 45,106 0.305,107 0.664,108 0.797,109 0.882,110 0.9,111 0.913,112 3.502,113 0.903,114 -1.47,115 -1.55,116 -1.59,119 37,121 3,125 4,127 1,142 2,144 4,145 1,146 1,147 2,158 1,159 1,172 2,174 1,175 4,178 3,179 1,180 1,183 2,187 3,188 5,191 3,192 1,193 1,196 2,199 4,200 4,203 3,205 2,208 1,212 2,213 4,216 3,218 3,221 2,224 2,225 6,228 2,230 6,233 2,237 2,238 6,241 2,243 5,246 2,249 2,250 8,253 2,254 1,258 1,263 1,264 1,268 1,269 1,272 1,276 1546,277 21.67,278 21.67,279 21.67,280 21.67,281 21.67,282 19.923,283 28.96,284 13.054,285 22.443,286 16.674,287 16.674,288 16.674,289 16.674,290 16.674,291 13.808,292 38.343,293 6.108,294 18.04,295 3.92,296 1.757,297 0.954,298 0.444,299 0.333,300 0.259,301 4.187,302 1,305 1,306 1,307 835,308 3.317,312 129.659,319 2.031,320 51.666,323 0.75,324 0.67,325 0.83,326 0.9,327 1,328 0.67,329 0.5,330 0.76,331 72.833,332 400,333 4.388,334 4.073,335 6.323,336 3.966,337 3.028,338 4.067,339 2.035,340 9.688,341 2.826,342 4.316,343 3.578,344 6.175,345 3.84,346 2.911,347 3.961,348 1.656,349 9.185,350 2.7,351 3.846,352 3.33,353 5.82,354 3.481,355 2.554,356 3.163,357 0.86,358 7.918,359 2.36,360 3.698,361 3.042,362 5.408,363 3.316,364 2.385,365 3,366 0.86,367 7.087,368 2.195,369 3.426,370 2.902,371 4.984,372 3.191,373 2.272,374 2.564,375 0.86,376 5.863,377 2.062,378 3.319,379 2.686,380 4.858,381 2.92,382 1.973,383 2.345,384 0.247,385 5.542,386 1.854,387 3.206,388 2.366,389 4.53,390 2.815,391 1.854,392 2.189,394 4.64,395 1.78,396 3.036,397 2.211,398 4.409,399 2.61,400 1.681,401 2.176,403 4.368,404 1.534,405 2.832,406 2.085,407 3.885,408 2.502,409 1.583,410 1.795,412 3.59,413 1.431,414 2.736,415 1.98,416 3.699,417 2.165,418 1.25,419 1.367,421 2.819,422 1.128,423 2.37,424 1.624,425 3.383,426 1.832,427 0.97,428 1.16,430 2.278,431 0.804,432 2.076,433 1.374,434 3.096,435 1.629,436 0.723,437 1.039,439 1.509,440 0.651,441 1.775,442 1.162,443 3.075,444 1.526,445 0.628,446 0.707,448 1.214,449 0.556,450 1.543,451 0.96,452 2.756,453 1.258,454 0.374,455 0.414,457 0.684,458 0.319,459 1.356,460 0.771,461 2.709,462 0.958,463 0.103,464 0.111,466 0.166,467 0.087,468 14.714,469 0.46,470 0.677,471 0.021,472 40.75,473 1.273,474 19,475 0.594,476 21.75,477 0.68,478 28.898,479 0.903,480 36.286,481 0.672,482 34.086,483 1.065,484 7.921,485 0.248,486 7.574,487 0.237,488 0.144,490 0.306,496 0.947,497 1.467,498 0.648,499 1.13,500 0.77,501 0.939,502 1.016,503 1.203,504 0.777,505 1.056,506 0.734,507 0.994,508 1.044,509 0.926,510 0.855,511 0.878,512 0.818,513 0.852,514 0.964,515 0.961,516 0.851,517 0.891,518 0.741,519 0.885,520 0.918,521 1.058,522 1.039,523 1.06,524 0.846,525 1.021,526 0.927,527 1.089,528 0.98,529 1.068,530 0.843,531 1.051,532 0.928,533 1.142,534 1.27,535 1.202,536 0.923,537 1.162,538 0.958,539 0.977,540 1.141,541 1.068,542 0.945,543 1.129,544 6.5,545 0.155,546 3.111,547 1.813,548 1.818,549 1.236,550 0.892,551 0.62,552 0.366,553 0.268,554 12885,555 47496,556 2.011,557 40.7,558 2,559 11,561 1,562 4,564 4,567 1.749,568 1.882,569 3.564,570 1.694,572 1,577 99.098,578 1.835,579 3.998,580 4.801,581 5.31,582 5.422,583 5.496,584 3.102,585 4.75,586 4.973,587 3.707,588 1838.69,589 8.72,590 26553.7,595 310.764,596 1.4,597 4.929,598 0.191,599 0.006,600 0.069,601 0.036,602 0.036,603 0.024,604 0.016,605 0.011,606 0.009,607 0.009,608 0.409,609 0.17,610 0.75,611 1.293,612 167.373,613 -0.156,614 -0.21,616 -0.069,617 -0.086,618 0.002,619 -0.06,620 -0.098,621 0.004,622 -0.05,623 -0.019,624 -0.048,625 0.02,626 0.055,627 0.092,628 0.091,629 0.051,630 0.109,631 0.04,632 0.022,633 0.086,634 0.091,635 0.056,636 0.094,637 -0.007,638 -0.02,639 -0.047,640 -0.046,641 -0.027,642 -0.037,643 0.014,644 -0.048,645 -0.011,646 -0.061,647 0.002,648 -0.078,649 -0.038,650 -0.104,651 -0.189,652 -0.174,653 -0.058,654 -0.173,655 -0.051,656 -0.01,657 -0.12,658 -0.094,659 -0.017,660 -0.132,661 2.394,662 5.507,663 0.688,664 29.141,665 1.032,666 1.138,667 0.237,668 0.056,669 0.657,670 3.555,671 3.829,672 4.043,673 4.248,674 4.477,675 4.575,676 4.644,677 4.736,678 4.787,679 4.913,680 7.043,681 0.647,682 463.92,683 3.555,684 5.069,685 5.889,686 6.739,687 7.58,688 8.438,689 9.289,690 10.151,691 11.006,692 11.871,693 9.3,700 2,702 1,703 2,709 3,710 2,714 7,716 12,718 1,733 3,734 1,735 54,737 14,738 1,739 34,741 56,742 20,743 10,744 4,745 2,748 3,749 6,750 1,753 1,754 1,757 3,760 4,761 1,762 11,763 8,767 1,772 1,776 1,780 1,783 22,784 11,785 4,786 12,787 1,792 5,797 0.333,798 6,799 1,800 1,806 1,816 2,841 2,843 1,848 1,851 32,857 2,858 7,860 2,861 3,863 1,866 1,870 1,872 1,873 1,874 11.1,875 2,877 1,879 3,881 17,882 9.393,883 7.333,884 3.136,886 2.602,887 1.329,888 0.894,889 8.999,890 10.505,891 3.784,892 4.277,893 4.775,894 5.29,895 5.79,896 5.997,897 6.173,898 6.384,899 6.426,900 6.755,901 0.889,902 50,903 11.847,905 5.019,906 8.134,907 21.651,909 16.99,911 2.634,912 84.278,916 211.88,917 96.902,918 100.652,919 39.149,920 143.511,923 96.902,924 394.54,925 100.652,927 57.402,928 104.319,929 87.089,930 92.607,931 11.418,932 200.109,933 39.149,934 211.88,935 197.554,936 143.511,937 39.149,939 164.795,940 105.229,941 85.367,943 100.266,944 63.717,945 72.72,947 211.88,948 244.163,949 136.05,952 211.88,953 52.3,954 28,955 52.623,956 247.29,957 211.88,958 244.163,959 136.05,961 0.565,962 0.325,963 0.168,964 0.095,965 18,966 9,967 0.071,968 4,969 3,970 1.227,971 4.147,972 282.972,973 0.273,974 21,975 160,981 24.142,982 11.928,983 6.998,985 244.163,986 4.202,987 8.103,991 1.175,993 121.388,994 592.093,995 43,1000 12.507,1004 -0.643,1007 55.749,1008 61.429,1009 0.319,1010 0.695,1011 0.834,1012 0.923,1013 0.942,1014 0.955,1015 5.017,1016 1.681,1017 5.849,1018 4.64,1019 4.511,1020 4.963,1021 2.919,1022 6.6,1023 4.353,1024 6.193,1025 1.583,1026 7.372,1027 4.368,1028 4.007,1029 4.732,1030 1.195,1031 7.38,1032 3.775,1033 7.479,1034 1.25,1035 8.992,1036 3.59,1037 6.047,1038 7.065,1039 3.887,1040 10.44,1041 5.747,1042 8.797,1043 0.97,1044 10.669,1045 2.819,1046 6.347,1047 7.654,1048 2.324,1049 12.028,1050 5.962,1051 10.146,1052 0.723,1053 12.382,1054 2.278,1055 7.837,1056 9.478,1057 5.136,1058 14.593,1059 7.395,1060 11.516,1061 0.628,1062 14.121,1063 1.509,1064 8.528,1065 10.452,1066 3.407,1067 16.533,1068 7.999,1069 12.903,1070 0.374,1071 15.877,1072 1.214,1073 9.785,1074 12.06,1075 6.482,1076 18.91,1077 9.199,1078 3.028,1079 0.103,1080 17.647,1081 0.684,1082 10.674,1083 13.23,1084 4.464,1085 21.012,1086 10.006,1087 2.911,1088 9.688,1089 19.427,1090 0.166,1091 11.829,1092 14.735,1093 7.863,1094 23.313,1095 11.102,1096 2.554,1097 9.185,1098 21.215,1099 4.067,1100 12.819,1101 16.007,1102 5.504,1103 25.491,1104 12.012,1105 2.385,1106 7.918,1107 23.01,1108 3.961,1109 13.931,1110 17.458,1111 9.26,1112 27.762,1113 13.062,1114 2.272,1115 7.087,1116 24.811,1117 3.163,1118 14.97,1119 18.785,1120 6.531,1121 29.977,1122 14.026,1123 1.973,1124 5.863,1125 26.616,1126 3,1127 16.066,1128 20.209,1129 10.666,1130 32.235,1131 15.057,1132 1.854,1133 5.542,1134 28.425,1135 2.564,1136 17.131,1137 21.565,1138 7.551,1139 34.469,1140 16.049,1141 12725,1142 24602,1143 22.364,1144 35.466,1145 49.907,1146 53.591,1147 50.808,1148 48.577,1149 48.576,1150 60.117,1151 13.036,1152 133.106,1153 44.572,1154 5.334,1155 6.073,1156 6.183,1157 5.054,1158 5.028,1159 7.067,1160 4.069,1161 16.406,1162 4.826,1163 17.07,1164 1.468,1165 1.576,1166 1.494,1167 1.429,1168 1.429,1169 1.768,1170 0.383,1171 3.915,1172 1.311,1173 3.969,1174 3.993,1175 4.037,1176 3.858,1177 7.431,1178 3.868,1179 3.867,1180 3.898,1181 3.866,1182 3.694,1183 6.821,1184 3.728,1185 3.696,1186 3.757,1187 3.556,1188 3.552,1189 6.499,1190 3.54,1191 3.633,1192 3.669,1193 3.517,1194 3.416,1195 6.403,1196 3.43,1197 3.444,1198 3.481,1199 3.488,1200 3.186,1201 5.014,1202 3.232,1203 3.335,1204 3.393,1205 3.299,1206 3.112,1207 4.979,1208 3.119,1209 3.139,1210 3.188,1211 3.127,1212 2.93,1213 4.597,1214 2.964,1215 3.021,1216 3.063,1217 3.079,1218 2.786,1219 4.427,1220 2.787,1221 0.129,1222 0.12,1223 0.186,1224 0.117,1225 0.089,1226 4.388,1227 0.12,1228 4.073,1229 0.06,1230 6.323,1231 0.285,1232 3.966,1233 0.083,1234 3.028,1235 4.067,1236 2.035,1237 9.688,1238 2.826,1239 1.877,1240 1.865,1241 1.986,1242 2.013,1243 1.318,1244 1.993,1245 1.776,1246 1.735,1247 1.919,1248 1.98,1249 1.099,1250 1.958,1251 1.687,1252 1.63,1253 1.802,1254 1.864,1255 1.03,1256 1.87,1257 1.559,1258 1.518,1259 1.774,1260 1.799,1261 0.901,1262 1.794,1263 1.331,1264 1.278,1265 1.614,1266 1.621,1267 0.733,1268 1.6,1269 1.265,1270 1.217,1271 1.37,1272 1.524,1273 0.434,1274 1.501,1275 1.029,1276 0.985,1277 1.274,1278 1.305,1279 0.408,1280 1.288,1281 0.898,1282 0.844,1283 1.205,1284 1.22,1285 0.262,1286 1.196,1287 4.234,1289 5.517,1291 6.982,1293 8.538,1295 10.148,1298 6.252,1302 18.445,1303 2.255,1305 5.155,1306 16.815,1308 -1.061,1312 9.167,1313 1.906,1314 34.964,1315 99.098,1316 215.896,1317 259.254,1318 286.764,1319 292.764,1320 296.764,1321 85.069,1322 7.903,1323 158.85,1324 158.85,1325 27,1326 12.42,1327 3.907,1328 3.322,1329 60.941,1330 142,1331 149,1332 0.217,1333 220.372,1334 394.87,1335 529.468,1336 34332,1337 1.9,1338 22.924,1339 0.716,1340 0.555,1341 23.424,1342 17.762,1343 15.495,1344 0.456,1345 0.301,1346 9.663,1347 14.304,1348 9.537,1349 7.832,1350 15.783,1351 10.236,1352 13.349,1353 0.297,1354 0.16,1355 13.72,1356 7.191,1357 10.842,1358 0.194,1359 0.082,1360 11.196,1361 4.593,1362 8.478,1363 0.123,1364 0.042,1365 8.781,1366 2.931,1367 6.852,1368 0.079,1369 0.022,1370 7.132,1371 1.946,1372 0.34,1373 102.763,1374 0.211,1375 29.705,1376 0.597,1377 158,1378 615.046,1379 198.814,1380 599.29,1381 781.31,1382 558,1383 180,1384 523.848,1385 217.407,1386 528.724,1387 772.77,1388 496,1389 6.6}
{0 CHEMBL223360,1 1.634,2 11.429,3 4.169,4 17.383,5 107.914,6 8.162,7 0.71,8 3.95,9 4.077,10 3.584,11 3.517,12 5.182,13 3.516,14 4.409,15 4.555,16 3.957,17 3.901,18 5.658,19 3.881,20 4.647,21 4.824,22 4,23 4.007,24 5.876,25 3.969,26 4.721,27 4.936,28 3.93,29 3.963,30 5.904,31 3.912,32 4.667,33 4.882,34 3.863,35 3.86,36 6.017,37 3.812,38 4.591,39 4.828,40 3.641,41 3.733,42 5.779,43 3.668,44 4.397,45 4.639,46 3.447,47 3.569,48 5.514,49 3.493,50 4.231,51 4.463,52 3.433,53 3.458,54 5.408,55 3.397,56 0.108,57 0.782,58 7.914,59 3.697,60 11.726,61 4.413,62 0.223,63 1.204,64 13.556,65 6.439,66 22.404,67 8.066,68 0.344,69 1.489,70 19.254,71 7.879,72 40.825,73 9.722,74 0.337,75 1.507,76 23.161,77 8.716,78 48.52,79 11.124,80 0.537,81 1.362,82 22.441,83 7.743,84 80.827,85 10.011,86 0.435,87 1.257,88 22.255,89 7.478,90 67.431,91 9.409,92 0.323,93 1.008,94 18.15,95 6.136,96 46.423,97 8.048,98 0.256,99 0.927,100 15.067,101 5.878,102 32.921,103 7.568,104 17,105 44,106 0.276,107 0.606,108 0.745,109 0.86,110 0.877,111 0.877,112 3.374,113 0.84,114 -5.45,115 -5.33,116 -4.98,119 45.7,120 1,142 10,143 4,144 3,147 1,152 1,159 1,163 1,164 1,165 1,168 1,172 13,175 1,177 1,178 3,179 1,180 6,183 16,185 1,188 2,192 1,193 7,195 1,196 13,198 1,200 6,205 11,208 7,210 3,213 6,218 10,221 4,223 3,225 5,230 9,233 4,235 2,238 1,243 2,246 6,250 2,253 1,254 2,255 3,257 1,258 9,264 1,269 1,272 7,276 1148,277 18.809,278 18.809,279 18.809,280 18.809,281 18.809,282 15.963,283 17.267,284 10.95,285 19.05,286 15.292,287 15.292,288 15.292,289 15.292,290 15.292,291 11.074,292 22.095,293 5.201,294 15.696,295 3.889,296 1.931,297 1.103,298 0.424,299 0.321,300 0.321,301 4.07,305 1,306 1,307 700,308 3.082,311 65.692,312 273.275,315 123.126,319 1.939,320 29.165,322 1,323 0.75,324 1,325 1,326 0.6,328 1,329 1,330 0.76,331 61,332 320,333 4.661,334 3.575,335 6.879,336 4.209,337 3.223,338 4.621,339 1.656,340 11.471,341 3.18,342 4.252,343 3.24,344 6.094,345 3.851,346 2.89,347 3.891,348 0.247,349 8.874,350 2.77,351 4.074,352 3.12,353 5.886,354 3.656,355 2.677,356 3.693,358 8.159,359 2.619,360 3.76,361 2.672,362 5.452,363 3.402,364 2.427,365 3.118,367 7.243,368 2.359,369 3.492,370 2.42,371 4.956,372 3.11,373 2.126,374 2.805,376 5.769,377 2.085,378 3.362,379 2.347,380 4.932,381 2.94,382 1.963,383 2.703,385 5.421,386 1.902,387 3.342,388 1.983,389 4.804,390 2.87,391 1.911,392 2.608,394 5.315,395 1.83,396 2.967,397 1.801,398 4.459,399 2.486,400 1.507,401 2.173,403 4.198,404 1.473,405 2.805,406 1.535,407 4.109,408 2.347,409 1.365,410 1.914,412 3.599,413 1.33,414 2.631,415 1.185,416 3.817,417 2.138,418 1.157,419 1.692,421 2.803,422 1.132,423 2.5,424 1,425 3.414,426 2,427 1,428 1.5,430 2.275,431 1,432 2.174,433 0.794,434 3.327,435 1.703,436 0.721,437 1.031,439 1.751,440 0.706,441 1.536,442 0.764,443 3.006,444 1.209,445 0.288,446 0.342,448 0.673,449 0.26,450 1.337,451 0.578,452 2.605,453 0.978,454 0.009,455 0.011,457 0.022,458 0.009,459 1,460 0.219,461 2.391,462 0.655,463 -0.332,464 -0.412,466 -0.849,467 -0.324,468 13.119,469 0.469,470 0.75,471 0.027,472 40.75,473 1.455,474 23,475 0.821,476 17.75,477 0.634,478 18.905,479 0.675,480 28.881,481 0.628,482 31.015,483 1.108,484 8.341,485 0.298,486 5.167,487 0.185,488 0.116,490 0.381,494 1,496 0.717,497 0.909,498 0.729,499 0.816,500 0.639,501 0.77,502 0.502,503 1.016,504 0.71,505 1.005,506 0.516,507 0.932,508 0.951,509 1.066,510 1.02,511 1.089,512 0.93,513 1.075,514 1.056,515 1.148,516 1.011,517 1.107,518 0.99,519 1.058,520 0.972,521 0.955,522 1.028,523 1.025,524 0.951,525 1.031,526 1.381,527 1.015,528 1.167,529 0.97,530 1.412,531 1.008,532 1.091,533 0.88,534 1.067,535 0.899,536 1.064,537 0.956,538 0.921,539 0.98,540 0.846,541 0.985,542 0.97,543 0.93,544 6,545 0.127,546 3.333,547 2.222,548 1.559,549 0.847,550 0.532,551 0.339,552 0.207,553 0.208,554 10812,555 31589,556 2.094,557 39.1,558 3,559 10,562 5,567 1.705,568 1.953,569 3.45,570 2.467,572 1,577 75.177,578 1.634,579 3.593,580 4.421,581 5.099,582 5.203,583 5.203,584 2.833,585 4.28,586 4.783,587 3.697,588 1397.53,589 8.283,590 19134.4,592 1,594 1,595 254.084,596 1.432,597 4.736,598 0.194,599 0.006,600 0.076,601 0.051,602 0.039,603 0.024,604 0.018,605 0.014,606 0.009,607 0.01,608 0.44,609 0.17,610 0.88,611 0.573,612 142.488,613 -0.07,614 0.119,615 0.005,616 0.129,617 -0.107,618 0.099,619 0.173,620 -0.028,621 0.081,622 -0.026,623 0.084,624 -0.009,625 -0.045,626 -0.047,627 -0.138,628 -0.12,629 -0.059,630 -0.145,631 -0.099,632 -0.158,633 -0.043,634 -0.126,635 -0.048,636 -0.08,637 0.068,638 -0.046,639 -0.04,640 -0.074,641 0.141,642 -0.075,643 -0.216,644 -0.025,645 -0.122,646 0.005,647 -0.185,648 -0.024,649 -0.156,650 -0.021,651 -0.047,652 0.067,653 -0.117,654 0.043,655 0.092,656 0.034,657 0.175,658 0.036,659 0.047,660 0.099,661 2.182,662 5.783,663 0.75,664 26.857,665 1.012,666 1.129,667 4.218,668 17.792,669 0.69,670 3.466,671 3.807,672 4.078,673 4.357,674 4.554,675 4.533,676 4.635,677 4.771,678 4.762,679 4.852,680 7.166,681 0.672,682 375.44,683 3.466,684 5.017,685 5.872,686 6.758,687 7.629,688 8.516,689 9.393,690 10.281,691 11.162,692 12.051,693 10.9,697 1,700 2,701 1,703 1,708 2,709 10,710 1,711 1,714 7,716 22,727 1,734 1,735 46,737 23,738 3,739 31,741 49,742 21,743 19,744 8,745 10,748 4,749 5,753 1,754 1,762 20,763 1,767 1,772 1,776 1,780 1,781 1,783 18,784 6,785 5,786 7,792 5,797 0.75,798 1,807 1,815 1,816 3,819 1,843 3,847 1,849 1,851 28,852 1,860 2,873 1,874 2.2,877 1,881 14.333,882 8.426,883 6.056,884 2.525,886 4.156,887 1.543,888 1.046,889 4.82,890 11.808,891 3.784,892 4.446,893 5.059,894 5.692,895 6.224,896 6.466,897 6.88,898 7.326,899 7.533,900 7.893,901 1,902 44,903 10.322,905 4.475,906 7.935,907 19.23,909 15.741,911 2.435,912 68.167,915 1,916 153.024,917 139.1,918 102.245,920 25.145,921 14.96,923 139.1,924 178.169,925 117.205,926 8.825,927 36.022,928 127.66,929 41.808,930 43.427,931 23.708,932 153.024,934 153.024,935 241.344,936 40.105,939 167.984,940 25.145,943 61.51,944 163.172,945 16.663,947 167.984,948 127.39,949 139.1,952 153.024,953 35.512,954 103.588,955 52.685,956 89.665,957 153.024,958 142.35,959 139.1,961 0.588,962 0.344,963 0.19,964 0.104,965 22,966 10,967 0.061,968 3,969 1,970 1.095,971 4.019,972 241.433,973 0.095,974 21,975 130.606,981 18.169,982 7.428,983 3.771,984 1.715,985 125.687,986 17.643,987 4.049,988 2.896,991 3.414,993 85.582,994 434.474,995 43,1000 12.167,1004 -0.515,1007 46.534,1008 51.947,1009 0.296,1010 0.65,1011 0.8,1012 0.923,1013 0.942,1014 0.942,1015 5.014,1016 1.507,1017 5.866,1018 5.315,1019 4.489,1020 5.133,1021 1.758,1022 6.683,1023 4.438,1024 6.249,1025 1.365,1026 7.43,1027 4.198,1028 4.111,1029 4.997,1030 1.195,1031 7.594,1032 4.027,1033 7.569,1034 1.157,1035 9.09,1036 3.599,1037 6.089,1038 7.403,1039 2.415,1040 10.705,1041 5.992,1042 8.926,1043 1,1044 10.809,1045 2.803,1046 6.509,1047 8.091,1048 2.324,1049 12.482,1050 6.38,1051 10.312,1052 0.721,1053 12.567,1054 2.275,1055 7.973,1056 9.976,1057 3.244,1058 15.123,1059 7.835,1060 11.721,1061 0.288,1062 14.354,1063 1.751,1064 8.77,1065 11.075,1066 3.407,1067 17.278,1068 8.606,1069 13.15,1070 0.009,1071 16.164,1072 0.673,1073 10.03,1074 12.741,1075 4.156,1076 19.767,1077 9.856,1078 3.223,1079 -0.332,1080 17.991,1081 0.022,1082 11.01,1083 14.051,1084 4.464,1085 22.085,1086 10.815,1087 2.89,1088 11.471,1089 19.834,1090 -0.849,1091 12.19,1092 15.623,1093 5.111,1094 24.529,1095 11.984,1096 2.677,1097 8.874,1098 21.688,1099 4.621,1100 13.257,1101 17.039,1102 5.504,1103 26.914,1104 13.035,1105 2.427,1106 8.159,1107 23.554,1108 3.891,1109 14.409,1110 18.574,1111 6.091,1112 29.348,1113 14.176,1114 2.126,1115 7.243,1116 25.428,1117 3.693,1118 15.518,1119 20.043,1120 6.531,1121 31.763,1122 15.272,1123 1.963,1124 5.769,1125 27.31,1126 3.118,1127 16.664,1128 21.566,1129 7.083,1130 34.196,1131 16.408,1132 1.911,1133 5.421,1134 29.198,1135 2.805,1136 17.795,1137 23.062,1138 7.551,1139 36.623,1140 17.527,1141 10184,1142 17540,1143 20.69,1144 31.75,1145 47.051,1146 48.091,1147 48.466,1148 46.518,1149 46.524,1150 64.205,1151 3.806,1152 135.147,1153 45.305,1154 5.532,1155 5.575,1156 6.408,1157 5.253,1158 5.223,1159 7.621,1160 2.912,1161 18.697,1162 5.18,1163 13.914,1164 1.518,1165 1.551,1166 1.563,1167 1.501,1168 1.501,1169 2.071,1170 0.123,1171 4.36,1172 1.461,1173 4.134,1174 4.17,1175 4.103,1176 4.049,1177 8.201,1178 4.056,1179 3.946,1180 3.979,1181 3.9,1182 3.858,1183 7.431,1184 3.861,1185 3.851,1186 3.888,1187 3.796,1188 3.761,1189 5.248,1190 3.765,1191 3.449,1192 3.503,1193 3.394,1194 3.201,1195 4.796,1196 3.237,1197 3.356,1198 3.422,1199 3.266,1200 3.151,1201 4.688,1202 3.177,1203 3.176,1204 3.249,1205 3.048,1206 2.999,1207 4.648,1208 2.998,1209 3.027,1210 3.111,1211 2.933,1212 2.871,1213 4.321,1214 2.878,1215 2.865,1216 2.962,1217 2.723,1218 2.735,1219 4.023,1220 2.715,1221 0.15,1222 0.115,1223 0.222,1224 0.136,1225 0.104,1226 4.661,1227 0.149,1228 3.575,1229 0.053,1230 6.879,1231 0.37,1232 4.209,1233 0.103,1234 3.223,1235 4.621,1236 1.656,1237 11.471,1238 3.18,1239 2.013,1240 1.995,1241 2.089,1242 2.08,1243 1.241,1244 2.084,1245 1.906,1246 1.88,1247 2.014,1248 2.013,1249 1.122,1250 2.012,1251 1.785,1252 1.755,1253 1.895,1254 1.896,1255 0.989,1256 1.896,1257 1.356,1258 1.283,1259 1.534,1260 1.694,1261 0.589,1262 1.64,1263 1.292,1264 1.231,1265 1.484,1266 1.587,1267 0.408,1268 1.557,1269 1.146,1270 1.079,1271 1.365,1272 1.39,1273 0.311,1274 1.407,1275 1.039,1276 0.975,1277 1.249,1278 1.298,1279 0.273,1280 1.295,1281 0.897,1282 0.835,1283 1.181,1284 1.099,1285 0.218,1286 1.112,1287 4.143,1289 5.476,1290 2.398,1291 6.999,1292 4.727,1293 8.609,1294 6.823,1295 10.266,1297 1.828,1299 13.783,1301 5.968,1305 5.219,1314 30.893,1315 75.177,1316 165.281,1317 203.355,1318 234.574,1319 239.329,1320 239.329,1321 49.071,1322 7.652,1323 95.83,1324 95.83,1325 23,1326 12.583,1327 4.585,1328 3.7,1329 42.749,1330 124,1331 98,1332 0.17,1333 189.601,1334 319.64,1335 454.385,1336 23921,1337 2.2,1338 19.673,1339 0.703,1340 0.539,1341 18.803,1342 15.084,1343 13.508,1344 0.436,1345 0.28,1346 8.57,1347 13.033,1348 8.368,1349 6.971,1350 13.097,1351 8.682,1352 12.5,1353 0.284,1354 0.147,1355 11.982,1356 6.477,1357 10.363,1358 0.179,1359 0.077,1360 9.814,1361 4.441,1362 8.806,1363 0.114,1364 0.04,1365 8.653,1366 3.091,1367 7.23,1368 0.077,1369 0.022,1370 6.696,1371 2.037,1372 0.273,1373 84.505,1374 0.22,1375 27.066,1376 0.448,1377 150,1378 479.803,1379 164.843,1380 449.791,1381 612.41,1382 418,1383 177,1384 456.773,1385 191.021,1386 460.28,1387 669.85,1388 433,1389 5.712}
{0 CHEMBL223367,1 1.774,2 11.667,3 3.329,4 11.082,5 110.214,6 8.306,7 0.375,8 4.06,9 4.167,10 3.698,11 3.54,12 5.244,13 3.549,14 4.593,15 4.751,16 4.037,17 3.904,18 5.755,19 3.88,20 4.877,21 5.084,22 4.183,23 4.062,24 6.001,25 4.022,26 4.913,27 5.108,28 4.227,29 4.097,30 6.102,31 4.054,32 4.961,33 5.148,34 4.259,35 4.138,36 6.159,37 4.098,38 5.004,39 5.192,40 4.32,41 4.185,42 6.24,43 4.14,44 5.047,45 5.252,46 4.242,47 4.238,48 6.172,49 4.172,50 5.008,51 5.242,52 4.055,53 4.097,54 6.183,55 3.997,56 0.155,57 0.757,58 9.248,59 4.426,60 20.072,61 5.373,62 0.517,63 1.141,64 19.484,65 7.647,66 47.33,67 9.643,68 0.779,69 1.373,70 31.416,71 10.005,72 78.985,73 13.092,74 0.826,75 1.401,76 34.104,77 10.482,78 82.606,79 13.657,80 0.983,81 1.482,82 35.401,83 10.562,84 92.588,85 13.524,86 1.122,87 1.571,88 36.717,89 10.77,90 110.053,91 14.009,92 0.872,93 1.672,94 37.93,95 11.593,96 99.008,97 15.551,98 0.954,99 1.492,100 37.901,101 10.928,102 127.714,103 15.052,104 23,105 42,106 0.297,107 0.659,108 0.794,109 0.87,110 0.889,111 0.902,112 3.441,113 0.94,114 -2.92,115 -2.93,116 -2.83,119 38.5,121 5,125 3,142 2,143 1,144 3,145 1,146 1,147 2,158 1,159 1,172 5,174 1,175 3,178 3,179 1,180 2,183 6,187 3,188 4,191 2,193 2,196 5,199 3,200 5,203 2,205 4,208 3,212 2,213 5,216 2,218 4,221 3,224 2,225 6,228 2,230 7,233 4,237 1,238 6,241 1,243 4,246 5,249 2,250 9,253 1,254 1,255 1,258 3,264 4,269 1,272 2,276 1178,277 20.516,278 20.516,279 20.516,280 20.516,281 20.516,282 18.769,283 27.729,284 12.605,285 21.146,286 15.746,287 15.746,288 15.746,289 15.746,290 15.746,291 12.88,292 35.511,293 5.923,294 16.831,295 3.926,296 1.76,297 0.952,298 0.5,299 0.385,300 0.308,301 4.127,302 1,305 1,306 1,307 735,308 2.828,312 117.125,319 1.8,320 41.703,323 1,324 0.83,325 1,326 1,327 1,328 1,329 1,330 0.98,331 66.833,332 350,333 4.388,334 4.073,335 6.322,336 3.978,337 3.027,338 4.066,339 2.035,340 9.686,341 2.862,342 4.316,343 3.578,344 6.175,345 3.84,346 2.911,347 3.961,348 1.656,349 9.185,350 2.702,351 3.844,352 3.292,353 5.817,354 3.491,355 2.542,356 3.162,357 0.86,358 7.907,359 2.401,360 3.695,361 3.041,362 5.407,363 3.299,364 2.361,365 3,366 0.86,367 7.086,368 2.206,369 3.426,370 2.867,371 4.859,372 2.92,373 1.974,374 2.564,375 0.247,376 5.544,377 1.857,378 3.207,379 2.366,380 4.541,381 2.819,382 1.855,383 2.229,385 4.677,386 1.787,387 3.061,388 2.191,389 4.409,390 2.665,391 1.727,392 2.181,394 4.369,395 1.567,396 2.835,397 2.081,398 3.904,399 2.523,400 1.609,401 1.797,403 3.599,404 1.447,405 2.736,406 1.976,407 3.74,408 2.377,409 1.418,410 1.517,412 3.012,413 1.352,414 2.517,415 1.69,416 3.439,417 2.155,418 1.226,419 1.344,421 2.601,422 1.124,423 2.348,424 1.567,425 3.234,426 1.714,427 0.833,428 1.159,430 1.868,431 0.7,432 1.947,433 1.29,434 3.092,435 1.618,436 0.702,437 0.893,439 1.39,440 0.639,441 1.663,442 0.932,443 2.783,444 1.398,445 0.483,446 0.549,448 0.906,449 0.432,450 1.395,451 0.744,452 2.753,453 1.05,454 0.134,455 0.15,457 0.237,458 0.121,459 1.217,460 0.525,461 2.604,462 0.849,463 -0.057,464 -0.065,466 -0.143,467 -0.051,468 14.048,469 0.468,470 0.571,471 0.019,472 38.5,473 1.283,474 18.5,475 0.617,476 20,477 0.667,478 27.149,479 0.905,480 33.352,481 0.641,482 30.125,483 1.004,484 7.243,485 0.241,486 7.358,487 0.245,488 0.127,490 0.285,496 0.871,497 1.422,498 0.648,499 1.095,500 0.655,501 0.945,502 0.873,503 1.163,504 0.756,505 1.037,506 0.613,507 1.006,508 0.996,509 0.926,510 0.823,511 0.86,512 0.76,513 0.843,514 0.991,515 1.032,516 0.996,517 1.043,518 0.745,519 0.972,520 1.093,521 1.051,522 1.068,523 1.044,524 0.943,525 1.014,526 0.954,527 1.048,528 1.031,529 1.068,530 0.893,531 1.058,532 0.951,533 1.13,534 1.095,535 1.101,536 0.952,537 1.09,538 0.958,539 0.944,540 1.075,541 1.036,542 1.082,543 1.112,544 5.5,545 0.122,546 2.667,547 1.813,548 1.738,549 1.125,550 0.79,551 0.514,552 0.321,553 0.208,554 10659,555 35834,556 2.032,557 42.3,558 4,559 8,561 1,562 3,564 6,567 1.733,568 1.915,569 3.468,570 0.966,571 1,572 1,577 92.267,578 1.774,579 3.941,580 4.748,581 5.2,582 5.316,583 5.393,584 3.003,585 4.707,586 4.883,587 3.583,588 1558.72,589 8.542,590 21304.2,592 1,594 1,595 296.423,596 1.338,597 4.843,598 0.172,599 0.006,600 0.063,601 0.039,602 0.036,603 0.023,604 0.016,605 0.01,606 0.009,607 0.008,608 0.382,609 0.5,610 1,611 1.139,612 152.924,613 -0.11,614 -0.184,615 0.011,616 -0.059,617 -0.026,619 0.044,620 -0.066,621 0.023,622 -0.036,623 0.05,624 -0.048,625 -0.017,626 0.063,627 0.11,628 0.121,629 0.009,630 0.139,631 0.015,632 -0.047,633 0.027,634 -0.036,635 0.061,636 0.014,637 -0.026,638 -0.047,639 -0.062,640 -0.053,641 -0.031,642 -0.053,643 0.071,644 -0.024,645 -0.046,646 -0.086,647 0.028,648 -0.101,649 -0.078,650 -0.105,651 -0.133,652 -0.113,653 -0.085,654 -0.109,655 -0.052,656 0.029,657 -0.105,658 -0.08,659 -0.025,660 -0.129,661 2.237,662 5.485,663 0.733,664 23.404,665 1.021,666 1.135,667 1.692,668 2.862,669 0.665,670 3.497,671 3.761,672 3.989,673 4.22,674 4.443,675 4.522,676 4.585,677 4.663,678 4.691,679 4.812,680 6.535,681 0.645,682 431.92,683 3.497,684 5.004,685 5.826,686 6.678,687 7.522,688 8.383,689 9.236,690 10.101,691 10.958,692 11.825,693 9.6,700 2,702 1,703 2,709 3,710 2,714 7,716 12,718 1,733 2,734 1,735 52,737 14,738 1,739 32,741 54,742 20,743 10,744 4,745 2,748 3,749 6,750 1,753 1,754 1,757 3,760 5,761 1,762 11,763 8,767 1,772 1,776 1,780 1,783 22,784 9,785 3,786 10,787 1,792 5,797 0.333,798 4,799 1,806 1,816 2,841 1,843 1,848 1,851 30,857 1,858 8,860 2,861 2,866 1,870 1,872 1,873 1,874 7.7,875 1,877 1,879 2,881 15.667,882 9.193,883 6.917,884 3.236,886 2.613,887 1.336,888 0.93,889 8.234,890 10.392,891 3.738,892 4.234,893 4.749,894 5.279,895 5.778,896 5.974,897 6.141,898 6.336,899 6.344,900 6.677,901 1,902 47,903 11.088,905 4.643,906 7.998,907 20.659,909 16.338,911 2.498,912 74.944,915 1,916 223.651,917 95.321,918 100.652,919 39.149,920 89.828,923 95.321,924 352.628,925 100.652,927 57.879,928 61.636,929 87.089,930 79.55,931 11.418,932 211.88,933 39.149,934 223.651,935 195.972,936 89.828,937 39.149,939 153.024,940 117.771,941 42.683,943 100.742,944 61.659,945 72.72,947 223.651,948 190.48,949 134.469,952 223.651,953 50.719,954 28,955 52.623,956 193.607,957 223.651,958 190.48,959 134.469,961 0.559,962 0.323,963 0.178,964 0.103,965 17,966 8,967 0.056,968 3,969 3,970 1.227,971 3.992,972 260.454,973 0.273,974 21,975 147.207,981 22.261,982 11.096,983 6.282,985 190.48,986 4.695,987 8.149,991 2.501,993 78.705,994 548.6,995 41,1000 12.485,1004 -0.571,1007 53.094,1008 59.01,1009 0.311,1010 0.691,1011 0.833,1012 0.912,1013 0.933,1014 0.946,1015 4.963,1016 1.609,1017 5.778,1018 4.369,1019 4.443,1020 4.92,1021 2.835,1022 6.532,1023 4.31,1024 6.139,1025 1.418,1026 7.298,1027 3.599,1028 3.892,1029 4.677,1030 1.195,1031 7.31,1032 3.689,1033 7.426,1034 1.226,1035 8.919,1036 3.012,1037 5.974,1038 7.039,1039 3.864,1040 10.396,1041 5.722,1042 8.747,1043 0.833,1044 10.6,1045 2.601,1046 6.256,1047 7.63,1048 2.324,1049 11.996,1050 5.926,1051 10.1,1052 0.702,1053 12.32,1054 1.868,1055 7.771,1056 9.465,1057 5.131,1058 14.57,1059 7.399,1060 11.476,1061 0.483,1062 14.065,1063 1.39,1064 8.462,1065 10.443,1066 3.407,1067 16.518,1068 8.01,1069 12.869,1070 0.134,1071 15.829,1072 0.906,1073 9.733,1074 12.055,1075 6.481,1076 18.899,1077 9.236,1078 3.027,1079 -0.057,1080 17.605,1081 0.237,1082 10.628,1083 13.227,1084 4.464,1085 21.005,1086 10.056,1087 2.911,1088 9.686,1089 19.392,1090 -0.143,1091 11.791,1092 14.733,1093 7.863,1094 23.307,1095 11.169,1096 2.542,1097 9.185,1098 21.186,1099 4.066,1100 12.786,1101 16.005,1102 5.504,1103 25.487,1104 12.094,1105 2.361,1106 7.907,1107 22.986,1108 3.961,1109 13.903,1110 17.457,1111 9.26,1112 27.758,1113 13.158,1114 1.974,1115 7.086,1116 24.79,1117 3.162,1118 14.947,1119 18.784,1120 6.531,1121 29.974,1122 14.135,1123 1.855,1124 5.544,1125 26.599,1126 3,1127 16.046,1128 20.209,1129 10.666,1130 32.233,1131 15.179,1132 1.727,1133 4.677,1134 28.411,1135 2.564,1136 17.113,1137 21.565,1138 7.551,1139 34.467,1140 16.183,1141 10494,1142 19431,1143 21.266,1144 34.557,1145 46.883,1146 50.094,1147 47.452,1148 45.703,1149 45.603,1150 57.143,1151 11.316,1152 124.135,1153 42.393,1154 5.333,1155 6.073,1156 6.185,1157 5.062,1158 5.027,1159 7.066,1160 4.069,1161 16.404,1162 4.862,1163 14.526,1164 1.465,1165 1.565,1166 1.483,1167 1.428,1168 1.425,1169 1.786,1170 0.354,1171 3.879,1172 1.325,1173 3.984,1174 4.01,1175 4.045,1176 3.899,1177 7.431,1178 3.9,1179 3.873,1180 3.91,1181 3.866,1182 3.696,1183 6.821,1184 3.731,1185 3.697,1186 3.759,1187 3.556,1188 3.553,1189 6.456,1190 3.541,1191 3.584,1192 3.639,1193 3.505,1194 3.403,1195 5,1196 3.402,1197 3.418,1198 3.46,1199 3.408,1200 3.172,1201 4.943,1202 3.211,1203 3.334,1204 3.393,1205 3.291,1206 3.112,1207 4.595,1208 3.118,1209 3.131,1210 3.186,1211 3.127,1212 2.931,1213 4.427,1214 2.959,1215 2.992,1216 3.036,1217 3.068,1218 2.786,1219 4.145,1220 2.787,1221 0.137,1222 0.127,1223 0.198,1224 0.124,1225 0.095,1226 4.388,1227 0.127,1228 4.073,1229 0.064,1230 6.322,1231 0.303,1232 3.978,1233 0.089,1234 3.027,1235 4.066,1236 2.035,1237 9.686,1238 2.862,1239 1.922,1240 1.904,1241 2.019,1242 2.029,1243 1.32,1244 2.026,1245 1.776,1246 1.735,1247 1.969,1248 1.983,1249 1.276,1250 1.958,1251 1.694,1252 1.636,1253 1.812,1254 1.87,1255 0.986,1256 1.884,1257 1.545,1258 1.489,1259 1.756,1260 1.754,1261 0.898,1262 1.76,1263 1.33,1264 1.277,1265 1.614,1266 1.618,1267 0.734,1268 1.6,1269 1.258,1270 1.208,1271 1.39,1272 1.513,1273 0.493,1274 1.497,1275 1.041,1276 0.989,1277 1.251,1278 1.278,1279 0.405,1280 1.267,1281 0.881,1282 0.842,1283 1.204,1284 1.188,1285 0.218,1286 1.183,1287 4.174,1289 5.451,1291 6.915,1293 8.477,1295 10.095,1298 6.349,1302 9.084,1303 4.432,1305 5.276,1306 11.459,1312 9.161,1313 1.925,1314 33.535,1315 92.267,1316 204.913,1317 246.913,1318 270.423,1319 276.423,1320 280.423,1321 70.469,1322 7.78,1323 129.39,1324 129.39,1325 27,1326 12.373,1327 3.907,1328 3.322,1329 55.015,1330 127,1331 131,1332 0.224,1333 212.38,1334 377.29,1335 509.967,1336 29384,1337 1.9,1338 21.347,1339 0.712,1340 0.568,1341 21.847,1342 17.036,1343 14.601,1344 0.456,1345 0.313,1346 9.5,1347 13.594,1348 9.35,1349 7.709,1350 14.89,1351 10.022,1352 12.4,1353 0.295,1354 0.167,1355 12.771,1356 7.032,1357 10.043,1358 0.189,1359 0.089,1360 10.397,1361 4.726,1362 8.241,1363 0.123,1364 0.047,1365 8.544,1366 3.143,1367 6.683,1368 0.08,1369 0.025,1370 6.974,1371 2.108,1372 0.349,1373 95.914,1374 0.217,1375 28.004,1376 0.623,1377 148,1378 529.161,1379 183.167,1380 528.248,1381 693.93,1382 492,1383 169,1384 469.121,1385 199.558,1386 477.918,1387 697.01,1388 449,1389 7.2}
{0 CHEMBL223460,1 1.986,2 11.226,3 2.54,4 6.45,5 112.878,6 9.339,7 0.364,8 4.044,9 4.134,10 3.908,11 3.548,12 5.237,13 3.551,14 4.582,15 4.716,16 4.172,17 3.886,18 5.993,19 3.88,20 4.85,21 5.03,22 4.267,23 4.021,24 6.12,25 4.007,26 4.852,27 5.025,28 4.386,29 4.086,30 6.131,31 4.05,32 4.941,33 5.101,34 4.442,35 4.132,36 6.319,37 4.117,38 4.99,39 5.171,40 4.364,41 4.162,42 6.295,43 4.123,44 5.002,45 5.194,46 4.327,47 4.216,48 6.2,49 4.155,50 4.981,51 5.187,52 4.198,53 4.084,54 6.255,55 4.003,56 0.245,57 0.787,58 9.141,59 4.418,60 30.724,61 4.474,62 0.762,63 1.15,64 20.685,65 7.801,66 80.301,67 8.476,68 1.134,69 1.34,70 28.399,71 9.095,72 124.086,73 10.117,74 0.987,75 1.368,76 33.244,77 10.414,78 89.145,79 11.823,80 1.301,81 1.463,82 32.323,83 10.517,84 133.571,85 11.49,86 1.416,87 1.556,88 34.028,89 10.505,90 137.938,91 12.617,92 1.099,93 1.653,94 36.062,95 11.603,96 119.033,97 13.729,98 1.231,99 1.473,100 37.315,101 10.824,102 173.334,103 12.527,104 42,105 46,106 0.332,107 0.689,108 0.816,109 0.855,110 0.875,111 0.888,112 3.472,113 1.04,114 -1.68,115 -1.75,116 -1.77,119 36,121 3,124 1,125 2,142 2,144 4,145 1,146 1,147 2,158 1,159 1,172 2,174 2,175 3,178 5,179 1,180 2,183 2,187 3,188 3,191 2,193 3,196 2,199 3,200 6,203 3,205 2,208 1,212 2,213 8,216 2,217 1,218 2,221 2,224 4,225 5,228 2,230 4,233 2,237 1,238 5,241 3,242 1,243 4,246 2,249 2,250 9,253 1,255 1,258 1,263 2,264 3,267 3,272 1,276 1308,277 20.334,278 20.334,279 20.334,280 20.334,281 20.334,282 18.21,283 27.564,284 12.079,285 21.033,286 16.285,287 16.285,288 16.285,289 16.285,290 16.285,291 12.812,292 35.931,293 5.748,294 17.511,295 3.658,296 1.527,297 0.765,298 0.535,299 0.415,300 0.335,301 4.153,302 1,305 1,306 1,307 728,308 3.464,312 122.7,319 1.811,320 52.534,323 0.75,324 0.67,325 0.83,326 0.7,328 0.67,329 0.5,330 0.59,331 70.333,332 348,333 4.658,334 4.312,335 6.52,336 4.118,337 3.182,338 4.452,339 2.035,340 10.381,341 2.958,342 4.353,343 4.073,344 6.252,345 3.895,346 2.955,347 4.035,348 1.656,349 9.484,350 2.764,351 4.314,352 3.577,353 6.174,354 3.834,355 2.904,356 3.961,357 0.86,358 9.184,359 2.696,360 3.826,361 3.254,362 5.746,363 3.438,364 2.495,365 3.14,366 0.86,367 7.693,368 2.342,369 3.675,370 3.041,371 5.407,372 3.243,373 2.328,374 2.99,375 0.247,376 7.075,377 2.101,378 3.425,379 2.846,380 4.858,381 2.92,382 1.972,383 2.564,385 5.542,386 1.854,387 3.207,388 2.366,389 4.523,390 2.814,391 1.853,392 2.199,394 4.613,395 1.78,396 3.031,397 2.125,398 4.408,399 2.599,400 1.664,401 2.179,403 4.367,404 1.531,405 2.831,406 2.046,407 3.878,408 2.496,409 1.565,410 1.795,412 3.584,413 1.429,414 2.735,415 1.878,416 3.686,417 2.16,418 1.238,419 1.36,421 2.767,422 1.126,423 2.363,424 1.585,425 3.378,426 1.707,427 0.834,428 1.159,430 2.07,431 0.694,432 1.972,433 1.284,434 3.094,435 1.615,436 0.7,437 0.907,439 1.41,440 0.636,441 1.66,442 0.929,443 3.063,444 1.351,445 0.443,446 0.517,448 0.906,449 0.39,450 1.379,451 0.744,452 2.756,453 0.894,454 -0.022,455 -0.025,457 -0.049,458 -0.02,459 1.121,460 0.673,461 2.677,462 0.841,463 -0.069,464 -0.089,466 -0.156,467 -0.06,468 14.614,469 0.471,470 0.925,471 0.03,472 43,473 1.387,474 22,475 0.71,476 21,477 0.677,478 26.556,479 0.857,480 34.586,481 0.692,482 35.495,483 1.145,484 7.986,485 0.258,486 6.762,487 0.218,488 0.179,489 0.057,490 0.274,496 0.74,497 1.534,498 0.685,499 1.263,500 0.623,501 0.932,502 0.775,503 1.217,504 0.896,505 1.137,506 0.497,507 0.978,508 1.228,509 0.871,510 0.844,511 0.731,512 1.044,513 0.841,514 0.886,515 1.024,516 0.813,517 0.955,518 0.622,519 0.937,520 1.009,521 1.019,522 0.903,523 1,524 0.908,525 1.011,526 0.855,527 0.994,528 0.934,529 0.93,530 0.787,531 1.053,532 0.867,533 1.072,534 1.041,535 1.049,536 0.769,537 1.087,538 1.109,539 0.967,540 1.131,541 1.057,542 1.212,543 1.164,544 8,545 0.221,546 2.889,547 2.188,548 2.138,549 1.236,550 1.013,551 0.58,552 0.469,553 0.248,554 11466,555 45533,556 1.986,557 38,558 2,559 9,561 1,562 3,564 4,567 1.742,568 1.833,569 3.433,570 1.036,572 1,577 99.304,578 1.986,579 4.116,580 4.879,581 5.109,582 5.229,583 5.309,584 2.916,585 4.672,586 4.932,587 3.596,588 1671.98,589 8.638,590 23323.5,595 282.193,596 1.615,597 4.862,598 0.242,599 0.011,600 0.063,601 0.046,602 0.042,603 0.023,604 0.02,605 0.011,606 0.012,607 0.009,608 0.478,609 0.5,610 0.75,611 1.033,612 159.503,613 -0.053,614 -0.267,615 0.12,616 -0.139,617 -0.084,618 -0.007,619 0.143,620 -0.115,621 -0.039,622 -0.107,623 0.228,624 -0.041,625 -0.18,626 0.095,627 0.003,628 0.141,629 -0.141,630 0.094,631 0.037,632 -0.037,633 0.131,634 0.02,635 0.072,636 0.054,637 0.026,638 -0.043,639 0.015,640 -0.075,641 0.008,642 -0.062,643 0.089,644 -0.022,645 -0.054,646 -0.048,647 0.009,648 -0.094,649 -0.059,650 -0.053,651 -0.127,652 -0.088,653 -0.043,654 -0.096,655 -0.174,656 -0.004,657 -0.157,658 -0.104,659 -0.157,660 -0.176,661 4.484,662 5.463,663 0.71,664 24.302,665 1.037,666 1.136,667 0.449,668 0.202,669 0.683,670 3.526,671 3.85,672 4.007,673 4.263,674 4.489,675 4.554,676 4.654,677 4.727,678 4.762,679 4.82,680 6.616,681 0.668,682 466.95,683 3.526,684 5.069,685 5.883,686 6.76,687 7.596,688 8.475,689 9.322,690 10.201,691 11.054,692 11.932,693 12,698 1,700 2,702 1,703 2,709 3,710 2,714 7,716 12,718 1,733 2,734 1,735 50,737 16,738 1,739 33,741 52,742 18,743 10,744 4,745 2,748 3,749 6,750 1,753 1,757 3,760 3,761 1,762 11,763 6,767 3,770 1,772 3,776 1,780 1,783 19,784 11,785 3,786 13,787 2,792 6,797 0.333,798 5,806 1,816 2,843 1,845 1,847 1,848 1,851 31,855 1,858 5,860 3,861 2,866 1,870 1,872 1,873 1,874 10,877 3,879 2,881 16.917,882 9.243,883 6.792,884 2.837,886 2.714,887 1.346,888 0.959,889 7.655,890 10.557,891 3.807,892 4.382,893 4.775,894 5.334,895 5.841,896 6.048,897 6.277,898 6.496,899 6.523,900 6.704,901 0.875,902 48,903 11.655,905 5.172,906 8.205,907 20.941,909 16.717,911 2.705,912 83.861,916 188.338,917 102.82,918 117.057,919 39.149,920 91.458,922 5.807,923 97.013,924 318.944,925 117.057,926 7.19,927 52.81,928 24.76,929 147.807,930 79.121,931 11.418,932 176.567,933 39.149,934 188.338,935 214.07,936 91.458,937 44.956,939 141.253,940 138.542,943 95.673,944 68.42,945 94.932,947 188.338,948 208.515,949 141.969,951 5.807,952 188.338,953 45.221,954 35.19,955 69.028,956 195.237,957 188.338,958 208.515,959 141.969,961 0.58,962 0.31,963 0.17,964 0.1,965 20,966 10,967 0.038,968 2,969 3,970 1.227,971 3.988,972 275.978,973 0.273,974 21,975 149.58,980 1,981 23.201,982 10.228,983 6.759,985 208.515,986 4.007,987 8.063,991 0.787,993 52.426,994 538.821,995 44,998 -3.567,1000 35.619,1004 -0.676,1007 51.833,1008 56.807,1009 0.352,1010 0.729,1011 0.864,1012 0.905,1013 0.926,1014 0.941,1015 5.063,1016 1.664,1017 5.9,1018 4.613,1019 4.533,1020 5.069,1021 2.835,1022 6.701,1023 4.388,1024 6.3,1025 1.565,1026 7.456,1027 4.367,1028 4.29,1029 5.19,1030 1.195,1031 7.743,1032 4.061,1033 7.643,1034 1.238,1035 9.116,1036 3.584,1037 6.168,1038 7.336,1039 3.864,1040 10.697,1041 5.887,1042 9.02,1043 0.834,1044 10.834,1045 2.767,1046 6.673,1047 8.216,1048 2.324,1049 12.477,1050 6.3,1051 10.426,1052 0.7,1053 12.587,1054 2.07,1055 8.082,1056 9.928,1057 5.131,1058 15.006,1059 7.66,1060 11.853,1061 0.443,1062 14.364,1063 1.41,1064 8.921,1065 11.121,1066 3.407,1067 17.078,1068 8.409,1069 13.297,1070 -0.022,1071 16.156,1072 0.906,1073 10.151,1074 12.68,1075 6.481,1076 19.461,1077 9.584,1078 3.182,1079 -0.069,1080 17.96,1081 -0.049,1082 11.144,1083 14.013,1084 4.464,1085 21.661,1086 10.492,1087 2.955,1088 10.381,1089 19.773,1090 -0.156,1091 12.304,1092 15.513,1093 7.863,1094 23.991,1095 11.591,1096 2.904,1097 9.484,1098 21.592,1099 4.452,1100 13.368,1101 16.911,1102 5.504,1103 26.248,1104 12.575,1105 2.495,1106 9.184,1107 23.416,1108 4.035,1109 14.503,1110 18.389,1111 9.26,1112 28.561,1113 13.644,1114 2.328,1115 7.693,1116 25.245,1117 3.961,1118 15.599,1119 19.82,1120 6.531,1121 30.846,1122 14.665,1123 1.972,1124 7.075,1125 27.078,1126 3.14,1127 16.727,1128 21.291,1129 10.666,1130 33.156,1131 15.724,1132 1.853,1133 5.542,1134 28.914,1135 2.99,1136 17.841,1137 22.74,1138 7.551,1139 35.456,1140 16.763,1141 11322,1142 22780,1143 21.266,1144 34.142,1145 49.522,1146 53.919,1147 49.49,1148 48.352,1149 48.265,1150 62.516,1151 11.316,1152 138.154,1153 44.601,1154 5.603,1155 6.312,1156 6.381,1157 5.202,1158 5.182,1159 7.452,1160 4.069,1161 17.133,1162 4.958,1163 18.069,1164 1.501,1165 1.634,1166 1.5,1167 1.465,1168 1.463,1169 1.894,1170 0.343,1171 4.186,1172 1.352,1173 4.035,1174 4.034,1175 4.717,1176 3.978,1177 7.718,1178 3.914,1179 3.895,1180 3.924,1181 4.01,1182 3.776,1183 7.431,1184 3.735,1185 3.817,1186 3.802,1187 3.865,1188 3.692,1189 6.999,1190 3.677,1191 3.694,1192 3.753,1193 3.556,1194 3.551,1195 6.821,1196 3.539,1197 3.439,1198 3.476,1199 3.498,1200 3.186,1201 5.001,1202 3.231,1203 3.335,1204 3.393,1205 3.299,1206 3.112,1207 4.95,1208 3.119,1209 3.124,1210 3.179,1211 3.127,1212 2.925,1213 4.595,1214 2.957,1215 2.97,1216 3.007,1217 3.072,1218 2.786,1219 4.427,1220 2.785,1221 0.141,1222 0.131,1223 0.198,1224 0.125,1225 0.096,1226 4.658,1227 0.135,1228 4.312,1229 0.062,1230 6.52,1231 0.315,1232 4.118,1233 0.09,1234 3.182,1235 4.452,1236 2.035,1237 10.381,1238 2.958,1239 1.908,1240 1.902,1241 1.987,1242 2.029,1243 1.318,1244 2.036,1245 1.776,1246 1.735,1247 1.92,1248 1.984,1249 1.112,1250 1.958,1251 1.701,1252 1.701,1253 1.791,1254 1.875,1255 0.934,1256 1.905,1257 1.645,1258 1.621,1259 1.617,1260 1.783,1261 0.893,1262 1.822,1263 1.331,1264 1.277,1265 1.602,1266 1.619,1267 0.733,1268 1.6,1269 1.262,1270 1.213,1271 1.37,1272 1.512,1273 0.412,1274 1.496,1275 1.022,1276 0.972,1277 1.206,1278 1.251,1279 0.307,1280 1.225,1281 0.88,1282 0.842,1283 1.146,1284 1.168,1285 0.152,1286 1.175,1287 4.205,1289 5.525,1291 7.013,1293 8.586,1295 10.208,1297 1,1298 6.174,1303 2.736,1305 7.39,1306 11.286,1312 9.149,1313 1.894,1314 33.405,1315 99.304,1316 205.822,1317 243.928,1318 255.438,1319 261.438,1320 265.438,1321 86.851,1322 7.843,1323 155.33,1324 163.71,1325 27,1326 12.475,1327 4.087,1328 3.585,1329 57.919,1330 132,1331 115,1332 0.226,1333 215.117,1334 380.99,1335 516.645,1336 31476,1337 2,1338 22.433,1339 0.724,1340 0.581,1341 23.183,1342 18.009,1343 14.747,1344 0.447,1345 0.347,1346 9.17,1347 12.916,1348 8.811,1349 7.285,1350 15.963,1351 11.44,1352 14.023,1353 0.305,1354 0.189,1355 15.776,1356 8.716,1357 9.989,1358 0.185,1359 0.091,1360 10.78,1361 4.889,1362 8.444,1363 0.121,1364 0.05,1365 9.287,1366 3.495,1367 6.926,1368 0.079,1369 0.028,1370 7.927,1371 2.44,1372 0.351,1373 106.734,1374 0.217,1375 28.701,1376 0.628,1377 158,1378 617.675,1379 227.955,1380 632.334,1381 823.05,1382 580,1383 179,1384 541.68,1385 251.772,1386 581.953,1387 837.31,1388 541,1389 6.6}
{0 CHEMBL225519,1 1.576,2 6.438,3 0.871,4 0.758,5 60.132,6 7.899,7 0.611,8 3.432,9 3.554,10 3.058,11 3.001,12 4.568,13 2.997,14 3.937,15 4.094,16 3.406,17 3.396,18 5.062,19 3.367,20 4.155,21 4.363,22 3.366,23 3.45,24 5.214,25 3.389,26 4.097,27 4.309,28 3.187,29 3.308,30 5.217,31 3.227,32 3.908,33 4.157,34 2.853,35 3.092,36 4.893,37 2.979,38 3.606,39 3.829,40 2.762,41 2.868,42 4.67,43 2.791,44 3.514,45 3.732,46 2.495,47 2.632,48 4.671,49 2.544,50 3.344,51 3.661,52 1.863,53 2.091,54 4.431,55 1.924,56 0.032,57 0.426,58 4.916,59 2.173,60 4.584,61 2.753,62 0.115,63 0.678,64 9.085,65 3.706,66 12.523,67 4.885,68 0.145,69 0.775,70 13.013,71 4.785,72 20.024,73 6.42,74 0.232,75 0.698,76 12.764,77 4.579,78 29.206,79 6.053,80 0.182,81 0.557,82 11.374,83 4.039,84 24.638,85 5.508,86 0.063,87 0.428,88 7.694,89 2.941,90 11.027,91 4.059,92 0.092,93 0.37,94 7.208,95 2.504,96 17.556,97 3.302,98 0.2,99 0.283,100 7.578,101 1.95,102 25.864,103 2.911,104 2,105 25,106 0.306,107 0.705,108 0.817,109 0.837,110 0.837,111 0.837,112 2.855,113 0.875,114 -2.11,115 -2.16,116 -2.14,119 44.4,121 1,125 1,142 3,143 2,145 2,152 2,158 1,172 3,175 3,178 1,180 6,183 3,188 2,193 3,196 4,200 1,203 1,204 1,208 3,213 2,216 1,218 1,221 2,225 3,230 2,238 1,249 1,253 1,276 228,277 11.069,278 11.069,279 11.069,280 11.069,281 11.069,282 9.694,283 7.745,284 6.625,285 11.234,286 8.91,287 8.91,288 8.91,289 8.91,290 8.91,291 6.755,292 6.909,293 3.165,294 9.14,295 3.179,296 1.125,297 0.546,298 0.444,299 0.444,300 0.444,301 3.533,305 1,306 1,307 226,308 1.581,311 26.736,312 79.605,315 53.459,319 1.063,320 13.369,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 34.5,332 103,333 4.487,334 3.616,335 6.555,336 4.114,337 3.129,338 4.175,339 1.058,340 10.391,341 3.08,342 4.01,343 2.942,344 6.032,345 3.656,346 2.662,347 3.517,349 8.611,350 2.642,351 3.416,352 2.538,353 5.039,354 2.984,355 2,356 2.703,358 5.716,359 1.957,360 3.099,361 1.833,362 4.399,363 2.687,364 1.719,365 2.288,367 4.324,368 1.66,369 2.668,370 1.568,371 4.036,372 2.389,373 1.436,374 1.711,376 3.402,377 1.364,378 2.5,379 1.228,380 3.481,381 1.984,382 1,383 1.5,385 2.509,386 0.983,387 2.419,388 1.013,389 3.247,390 1.951,391 1,392 1.384,394 2.136,395 0.949,396 2.054,397 1,398 3.247,399 1.609,400 0.621,401 0.852,403 1.587,404 0.607,405 1.031,406 0.285,407 2.455,408 0.709,409 -0.301,410 -0.366,412 -0.693,413 -0.299,414 0.75,415 -0.528,416 2.321,417 0.309,418 -0.678,419 -0.926,421 -1.552,422 -0.668,423 0.5,424 -0.729,425 2,426 -0.033,427 -1,428 -1.113,430 -2.347,431 -0.946,432 0.212,433 -0.94,434 1.555,435 -0.049,436 -1,437 -1.5,439 -2.881,440 -0.964,441 0.129,442 -1,443 1.538,444 -0.258,445 -1.273,446 -1.802,448 -3.289,449 -1.281,450 -0.128,451 -1.388,452 1.251,453 -0.481,454 -1.473,455 -1.906,457 -4.359,458 -1.464,459 -0.5,460 -1.746,461 1.176,462 -0.918,463 -1.899,464 -2.189,466 -4.789,467 -1.815,468 7.533,469 0.471,470 0.329,471 0.021,472 22.25,473 1.391,474 11.5,475 0.719,476 10.75,477 0.672,478 9.183,479 0.574,480 16.467,481 0.61,482 12.947,483 0.809,484 4.477,485 0.28,486 3.366,487 0.21,488 0.044,490 0.332,496 0.787,497 1.213,498 0.729,499 0.929,500 0.54,501 0.826,502 0.713,503 1.153,504 0.854,505 1.003,506 0.558,507 0.952,508 1.01,509 1.05,510 0.991,511 1.026,512 0.892,513 1.002,514 1.133,515 0.983,516 1.141,517 1.093,518 1.335,519 1.124,520 1.031,521 0.766,522 1.044,523 0.903,524 1.156,525 0.973,526 0.759,527 1.114,528 0.881,529 1.117,530 0.702,531 1.035,532 1.409,533 1.303,534 1.247,535 1.327,536 1.579,537 1.287,538 1.243,539 0.634,540 1.121,541 0.739,542 1.428,543 0.885,544 2.5,546 1.778,547 0.944,548 0.774,549 0.372,550 0.127,551 0.066,552 0.03,554 2021,555 5633,556 2.174,557 40.7,559 5,561 2,562 2,563 2,567 1.551,568 2.087,569 2.755,570 0.451,574 1,577 42.554,578 1.576,579 3.63,580 4.208,581 4.31,582 4.31,583 4.31,584 2.203,585 3.453,586 3.975,587 2.822,588 338.691,589 6.693,590 2851.37,592 1,595 128.382,596 1.198,597 3.954,598 0.139,600 0.071,601 0.041,602 0.043,603 0.029,604 0.011,605 0.008,606 0.01,608 0.352,609 0.83,610 1,611 0.5,612 63.32,613 -0.099,614 -0.078,615 0.032,616 0.03,617 -0.034,618 0.052,619 0.041,620 -0.072,621 -0.028,622 -0.048,623 0.04,624 -0.047,625 -0.118,626 -0.067,627 -0.061,628 -0.063,629 -0.044,630 -0.049,631 -0.015,632 -0.036,633 -0.171,634 -0.135,635 -0.116,636 -0.176,637 -0.072,638 0.127,639 -0.031,640 0.089,641 -0.121,642 0.04,643 0.026,644 -0.192,645 0.076,646 -0.125,647 0.097,648 -0.032,649 -0.176,650 -0.405,651 -0.241,652 -0.374,653 -0.121,654 -0.333,655 0.163,656 0.217,657 0.089,658 0.166,659 0.032,660 0.117,661 1.655,662 4.587,663 0.938,664 8.531,665 1.006,666 1.125,667 0.885,668 0.782,669 0.686,670 2.944,671 3.258,672 3.555,673 3.829,674 4.025,675 4.06,676 4.111,677 4.159,678 4.043,679 3.892,680 4.035,681 0.662,682 213.26,683 2.944,684 4.466,685 5.323,686 6.201,687 7.077,688 7.964,689 8.848,690 9.739,691 10.627,692 11.519,693 11.1,700 1,701 1,703 1,709 5,710 1,711 1,714 4,716 11,723 1,735 27,737 12,739 18,741 29,742 12,743 9,746 1,748 3,749 4,757 1,760 1,762 10,763 2,767 1,772 1,776 1,780 1,783 11,784 3,785 2,786 4,792 3,797 0.667,798 1,809 1,811 1,815 1,816 2,819 1,843 2,851 16,858 2,860 1,874 3.7,877 1,881 7.667,882 4.783,883 3.5,884 1.606,886 2.161,887 1.342,888 1.044,889 2.169,890 8.485,891 3.239,892 3.823,893 4.426,894 5.005,895 5.436,896 5.715,897 6.039,898 6.33,899 6.547,900 6.638,901 1,902 23,903 5.893,905 2.541,906 7.771,907 11.262,909 9.385,911 2.271,912 36.333,913 0.003,916 105.94,917 67.753,918 51.582,920 25.145,923 67.753,924 131.085,925 51.582,927 22.651,928 28.429,929 70.177,930 41.252,931 5.513,932 82.398,934 105.94,935 119.335,936 25.145,939 105.94,940 25.145,943 57.531,944 45.018,945 16.786,947 105.94,948 76.727,949 67.753,952 105.94,953 21.23,954 46.524,955 34.796,956 41.93,957 105.94,958 76.727,959 67.753,961 0.577,962 0.343,963 0.191,964 0.103,965 14,966 5,967 0.034,968 1,969 1,970 1.133,971 2.913,972 112.648,973 0.133,974 15,975 60,981 9.459,982 3.669,983 1.618,985 59.941,986 9.244,987 3.975,988 3.292,991 3.815,993 34.796,994 250.42,995 24.5,1000 11.587,1004 0.012,1007 27.167,1008 30.365,1009 0.331,1010 0.763,1011 0.885,1012 0.907,1013 0.907,1014 0.907,1015 4.451,1016 0.621,1017 5.293,1018 2.136,1019 3.932,1020 4.505,1021 1.176,1022 6.103,1023 3.888,1024 5.646,1025 -0.301,1026 6.845,1027 1.587,1028 3.434,1029 4.205,1031 6.986,1032 3.41,1033 6.945,1034 -0.678,1035 8.502,1036 -0.693,1037 5.509,1038 6.675,1039 1.255,1040 10.112,1041 5.436,1042 8.284,1043 -1,1044 10.222,1045 -1.552,1046 5.889,1047 7.263,1049 11.86,1050 5.834,1051 9.66,1052 -1,1053 11.983,1054 -2.347,1055 7.403,1056 9.15,1057 1.338,1058 14.471,1059 7.306,1060 11.061,1061 -1.273,1062 13.772,1063 -2.881,1064 8.188,1065 10.155,1067 16.554,1068 8.1,1069 12.483,1070 -1.473,1071 15.58,1072 -3.289,1073 9.471,1074 11.79,1075 1.422,1076 18.987,1077 9.35,1078 3.129,1079 -1.899,1080 17.401,1081 -4.359,1082 10.444,1083 13,1085 21.208,1086 10.321,1087 2.662,1088 10.391,1089 19.232,1090 -4.789,1091 11.631,1092 14.52,1093 1.51,1094 23.575,1095 11.483,1096 2,1097 8.611,1098 21.071,1099 4.175,1100 12.69,1101 15.833,1103 25.857,1104 12.533,1105 1.719,1106 5.716,1107 22.916,1108 3.517,1109 13.84,1110 17.3,1111 1.599,1112 28.201,1113 13.662,1114 1.436,1115 4.324,1116 24.765,1117 2.703,1118 14.938,1119 18.667,1121 30.511,1122 14.747,1123 1,1124 3.402,1125 26.618,1126 2.288,1127 16.075,1128 20.109,1129 1.69,1130 32.847,1131 15.866,1132 1,1133 2.509,1134 28.473,1135 1.711,1136 17.192,1137 21.503,1139 35.17,1140 16.968,1141 1961,1142 3341,1143 12.425,1144 18.517,1145 27.529,1146 28.166,1147 27.628,1148 27.102,1149 27.133,1150 36.26,1151 2.117,1152 77.35,1153 26.484,1154 5.431,1155 5.616,1156 6.357,1157 5.15,1158 5.129,1159 7.175,1160 2.117,1161 17.181,1162 5.025,1163 4.473,1164 1.529,1165 1.565,1166 1.535,1167 1.506,1168 1.507,1169 2.014,1170 0.118,1171 4.297,1172 1.471,1173 4.07,1174 4.108,1175 4.027,1176 3.958,1177 7.429,1178 3.97,1179 3.784,1180 3.829,1181 3.72,1182 3.662,1183 4.946,1184 3.67,1185 3.387,1186 3.468,1187 3.281,1188 3.176,1189 4.703,1190 3.182,1191 3.104,1192 3.138,1193 2.995,1194 2.84,1195 4.078,1196 2.883,1197 2.854,1198 2.925,1199 2.687,1200 2.735,1201 3.676,1202 2.715,1203 2.694,1204 2.765,1205 2.602,1206 2.506,1207 3.674,1208 2.52,1209 2.392,1210 2.503,1211 2.202,1212 2.14,1213 3.454,1214 2.14,1215 2.35,1216 2.469,1217 2.106,1218 1.975,1219 3.11,1220 1.991,1221 0.249,1222 0.201,1223 0.364,1224 0.229,1225 0.174,1226 4.487,1227 0.232,1228 3.616,1229 0.059,1230 6.555,1231 0.577,1232 4.114,1233 0.171,1234 3.129,1235 4.175,1236 1.058,1237 10.391,1238 3.08,1239 1.862,1240 1.829,1241 1.962,1242 1.988,1243 1.185,1244 1.982,1245 1.773,1246 1.733,1247 1.923,1248 1.949,1249 1.028,1250 1.942,1251 1.363,1252 1.311,1253 1.509,1254 1.578,1255 0.591,1256 1.556,1257 1.063,1258 0.98,1259 1.299,1260 1.306,1261 0.427,1262 1.316,1263 0.886,1264 0.821,1265 1.181,1266 1.164,1267 0.218,1268 1.144,1269 0.85,1270 0.803,1271 1.09,1272 1.062,1273 0.137,1274 1.107,1275 0.476,1276 0.392,1277 0.777,1278 0.75,1280 0.764,1281 0.181,1282 0.051,1283 0.678,1284 0.598,1286 0.63,1287 3.611,1289 4.92,1290 2.398,1291 6.438,1292 4.727,1293 8.046,1294 6.862,1295 9.698,1303 1.578,1305 2.832,1314 17.886,1315 42.554,1316 98.017,1317 113.627,1318 116.382,1319 116.382,1320 116.382,1321 18.227,1322 6.324,1323 57.78,1324 57.78,1325 17,1326 12.047,1327 3.7,1328 2.907,1329 21.774,1330 39,1331 34,1332 0.292,1333 110.513,1334 183.23,1335 261.412,1336 3829,1338 10.958,1339 0.685,1340 0.541,1341 10.958,1342 8.656,1343 7.843,1344 0.436,1345 0.292,1346 5.181,1347 7.567,1348 5.098,1349 4.201,1350 7.843,1351 5.249,1352 6.962,1353 0.278,1354 0.153,1355 6.962,1356 3.817,1357 6.068,1358 0.178,1359 0.082,1360 6.068,1361 2.796,1362 5.137,1363 0.114,1364 0.044,1365 5.137,1366 1.98,1367 4.057,1368 0.074,1369 0.024,1370 4.057,1371 1.315,1372 0.435,1373 49,1374 0.284,1375 15.919,1376 0.869,1377 86,1378 246.046,1379 93.377,1380 240.868,1381 331.92,1382 226,1383 102,1384 245.693,1385 109.322,1386 249.469,1387 364.58,1388 236,1389 5.4}
{0 CHEMBL226403,1 1.482,2 10.231,3 3.004,4 9.023,5 98.818,6 8.105,7 0.733,8 3.871,9 3.981,10 3.527,11 3.504,12 5.01,13 3.492,14 4.373,15 4.513,16 3.905,17 3.915,18 5.499,19 3.885,20 4.622,21 4.811,22 3.938,23 4.016,24 5.699,25 3.961,26 4.617,27 4.822,28 3.803,29 3.93,30 5.717,31 3.855,32 4.491,33 4.714,34 3.629,35 3.811,36 5.486,37 3.719,38 4.327,39 4.526,40 3.619,41 3.713,42 5.392,43 3.648,44 4.339,45 4.542,46 3.546,47 3.67,48 5.419,49 3.598,50 4.3,51 4.538,52 3.412,53 3.553,54 5.333,55 3.463,56 0.021,57 0.617,58 6.983,59 3.375,60 5.695,61 4.112,62 0.1,63 1.017,64 12.759,65 5.768,66 13.919,67 7.244,68 0.134,69 1.275,70 19.075,71 7.814,72 24.547,73 9.989,74 0.293,75 1.263,76 20.133,77 7.807,78 39.042,79 9.921,80 0.189,81 1.083,82 18.632,83 7.489,84 30.027,85 9.864,86 0.076,87 0.941,88 14.449,89 6.044,90 17.96,91 7.961,92 0.161,93 0.952,94 15.055,95 5.935,96 26.089,97 7.551,98 0.208,99 0.907,100 15.876,101 5.996,102 28.79,103 8.069,104 2,105 43,106 0.253,107 0.612,108 0.79,109 0.896,110 0.904,111 0.904,112 3.305,113 0.859,114 -3.42,115 -3.4,116 -3.25,119 50,121 1,125 1,142 8,143 4,145 2,146 2,152 2,158 1,172 9,175 7,178 1,180 6,183 10,188 6,193 3,196 11,199 1,200 4,203 1,204 1,208 9,213 4,216 1,218 2,221 7,225 6,230 3,233 6,238 3,241 1,243 1,246 7,249 1,250 2,253 1,255 2,258 6,264 2,269 3,272 5,276 902,277 18.102,278 18.102,279 18.102,280 18.102,281 18.102,282 15.551,283 7.745,284 10.604,285 18.311,286 14.852,287 14.852,288 14.852,289 14.852,290 14.852,291 10.876,292 6.909,293 5.057,294 15.169,295 3.91,296 1.809,297 0.762,298 0.143,299 0.095,300 0.095,301 4.023,304 1,305 1,306 1,307 606,308 2.121,311 47.783,312 261.014,315 95.423,316 104.816,319 1.633,320 18.928,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 55,332 266,333 4.507,334 3.616,335 6.56,336 4.126,337 3.141,338 4.366,339 1.058,340 10.414,341 3.091,342 4.435,343 3.036,344 6.306,345 3.98,346 2.995,347 4.185,349 9.627,350 2.948,351 4.151,352 2.917,353 6.095,354 3.737,355 2.749,356 3.766,358 8.883,359 2.713,360 3.821,361 2.678,362 5.898,363 3.466,364 2.479,365 3.223,367 8.184,368 2.442,369 3.368,370 2.413,371 5.039,372 2.956,373 1.966,374 2.641,376 5.715,377 1.935,378 3.118,379 1.78,380 4.566,381 2.663,382 1.687,383 2.427,385 4.676,386 1.644,387 3.106,388 1.618,389 4.401,390 2.586,391 1.618,392 2.328,394 4.312,395 1.563,396 2.895,397 1.582,398 4.143,399 2.459,400 1.48,401 2.074,403 3.659,404 1.449,405 2.683,406 1.398,407 3.986,408 2.345,409 1.371,410 1.741,412 3.114,413 1.33,414 2.59,415 1.229,416 3.607,417 2.094,418 1.114,419 1.628,421 2.868,422 1.09,423 2.424,424 1.116,425 3.471,426 1.956,427 1,428 1.39,430 2.448,431 0.954,432 2.149,433 1.011,434 3.247,435 1.622,436 0.652,437 0.975,439 1.587,440 0.631,441 2.054,442 0.652,443 3.162,444 1.608,445 0.621,446 0.852,448 1.532,449 0.607,450 1.092,451 0.285,452 2.641,453 0.709,454 -0.299,455 -0.365,457 -0.693,458 -0.297,459 1.031,460 -0.346,461 2.533,462 0.628,463 -0.35,464 -0.487,466 -0.871,467 -0.342,468 12.433,469 0.478,470 0.568,471 0.022,472 38.75,473 1.49,474 21.5,475 0.827,476 17.25,477 0.663,478 16.951,479 0.652,480 25.367,481 0.604,482 26.81,483 1.031,484 7.638,485 0.294,486 5.138,487 0.198,488 0.027,490 0.362,496 0.768,497 1.09,498 0.698,499 0.857,500 0.576,501 0.778,502 0.735,503 1.119,504 0.829,505 0.962,506 0.587,507 0.912,508 1.02,509 1.096,510 0.969,511 1.014,512 0.88,513 0.985,514 1.161,515 0.939,516 1.134,517 1.012,518 1.281,519 1.06,520 0.948,521 0.899,522 0.985,523 0.938,524 1.022,525 0.967,526 0.79,527 1.126,528 0.901,529 1.045,530 0.633,531 0.994,532 1.167,533 1.01,534 1.096,535 1.028,536 1.18,537 1.048,538 0.867,539 0.905,540 0.962,541 0.929,542 0.875,543 0.951,544 4.5,545 0.114,546 3.111,547 1.319,548 1.521,549 0.761,550 0.264,551 0.333,552 0.229,553 0.085,554 8827,555 22270,556 2.241,557 38.1,559 10,561 2,562 2,563 2,567 1.689,568 2.167,569 3.365,570 0.213,571 1,572 1,577 62.239,578 1.482,579 3.583,580 4.63,581 5.249,582 5.297,583 5.297,584 2.777,585 4.056,586 4.675,587 3.501,588 1137.9,589 8.09,590 13955.2,591 1,592 1,594 1,595 226.477,596 1.142,597 4.66,598 0.15,599 0.007,600 0.072,601 0.031,602 0.042,603 0.025,604 0.009,605 0.012,606 0.01,607 0.004,608 0.361,609 0.5,610 0.88,611 0.362,612 126.635,613 -0.067,614 -0.041,615 0.044,616 0.038,617 -0.049,618 0.054,619 0.043,620 -0.084,621 -0.019,622 -0.05,623 0.033,624 -0.044,625 -0.096,626 -0.095,627 -0.043,628 -0.063,629 -0.025,630 -0.047,631 -0.022,632 0.064,633 -0.155,634 -0.056,635 -0.116,636 -0.112,637 -0.042,638 0.045,639 0.017,640 0.066,641 -0.082,642 0.049,643 -0.007,644 -0.149,645 0.037,646 -0.075,647 0.065,648 -0.024,649 -0.109,650 -0.014,651 -0.127,652 -0.068,653 -0.119,654 -0.095,655 0.118,656 0.07,657 0.078,658 0.063,659 0.063,660 0.064,661 1.679,662 4.991,663 0.962,664 21.467,665 1.001,666 1.112,667 2.19,668 4.796,669 0.715,670 3.434,671 3.784,672 4.111,673 4.407,674 4.673,675 4.762,676 4.913,677 5.075,678 5.193,679 5.252,680 6.151,681 0.69,682 340.41,683 3.434,684 4.99,685 5.866,686 6.758,687 7.647,688 8.543,689 9.436,690 10.333,691 11.228,692 12.126,693 9.5,700 1,701 1,703 2,708 2,709 10,710 2,711 1,714 6,716 22,723 1,735 42,737 23,738 1,739 30,741 46,742 21,743 18,744 2,745 4,746 1,748 5,749 7,757 1,760 1,762 19,763 2,767 1,772 1,776 1,779 1,780 1,783 16,784 4,785 2,786 5,792 4,797 0.6,798 1,809 2,811 1,815 1,816 4,819 1,820 1,843 3,851 26,858 2,860 1,874 2.4,877 1,881 12,882 7.65,883 5.556,884 2.553,886 4.522,887 1.561,888 1.085,889 3.492,890 12.588,891 3.761,892 4.422,893 5.09,894 5.726,895 6.304,896 6.681,897 7.161,898 7.634,899 8.106,900 8.423,901 0.857,902 43,903 9.59,905 4.216,906 7.654,907 18.473,909 15.766,911 2.154,912 56,915 1,916 164.795,917 125.794,918 68.367,920 25.145,923 125.794,924 189.94,925 68.367,927 22.651,928 75.81,929 86.963,930 51.911,931 5.513,932 141.253,934 164.795,935 194.161,936 25.145,939 164.795,940 25.145,943 62.432,944 98.158,945 33.571,947 164.795,948 93.512,949 125.794,952 164.795,953 31.889,954 93.905,955 34.796,956 58.716,957 164.795,958 93.512,959 125.794,961 0.587,962 0.352,963 0.196,964 0.109,965 24,966 9,967 0.043,968 2,969 2,970 1.16,971 3.904,972 233.127,973 0.16,974 25,975 122.211,981 15.151,982 5.992,983 2.676,984 2.055,985 76.727,986 19.673,987 9.028,988 3.384,991 5.499,993 34.796,994 384.101,995 42,1000 11.991,1004 -0.012,1007 42.036,1008 46.694,1009 0.275,1010 0.665,1011 0.859,1012 0.974,1013 0.982,1014 0.982,1015 4.994,1016 1.48,1017 5.849,1018 4.312,1019 4.466,1020 5.109,1021 1.176,1022 6.678,1023 4.427,1024 6.217,1025 1.371,1026 7.414,1027 3.659,1028 4.007,1029 4.902,1031 7.573,1032 3.972,1033 7.535,1034 1.114,1035 9.078,1036 3.114,1037 6.075,1038 7.378,1039 1.255,1040 10.689,1041 6.004,1042 8.891,1043 1,1044 10.8,1045 2.868,1046 6.463,1047 8.027,1049 12.41,1050 6.393,1051 10.28,1052 0.652,1053 12.56,1054 2.448,1055 7.973,1056 9.934,1057 1.338,1058 15.011,1059 7.873,1060 11.692,1061 0.621,1062 14.344,1063 1.587,1064 8.751,1065 10.989,1067 17.061,1068 8.646,1069 13.121,1070 -0.299,1071 16.145,1072 1.532,1073 10.028,1074 12.648,1075 1.422,1076 19.477,1077 9.899,1078 3.141,1079 -0.35,1080 17.958,1081 -0.693,1082 10.988,1083 13.903,1085 21.668,1086 10.85,1087 2.995,1088 10.414,1089 19.78,1090 -0.871,1091 12.168,1092 15.449,1093 1.51,1094 24.015,1095 12.009,1096 2.749,1097 9.627,1098 21.608,1099 4.366,1100 13.213,1101 16.803,1103 26.271,1104 13.041,1105 2.479,1106 8.883,1107 23.442,1108 4.185,1109 14.354,1110 18.297,1111 1.599,1112 28.594,1113 14.164,1114 1.966,1115 8.184,1116 25.279,1117 3.766,1118 15.438,1119 19.701,1121 30.88,1122 15.233,1123 1.687,1124 5.715,1125 27.12,1126 3.223,1127 16.565,1128 21.172,1129 1.69,1130 33.197,1131 16.343,1132 1.618,1133 4.676,1134 28.964,1135 2.641,1136 17.669,1137 22.601,1139 35.5,1140 17.431,1141 7985,1142 12805,1143 20.978,1144 30.046,1145 46.199,1146 47.04,1147 46.425,1148 45.713,1149 45.748,1150 63.193,1151 2.117,1152 134.038,1153 44.793,1154 5.451,1155 5.616,1156 6.247,1157 5.168,1158 5.141,1159 7.366,1160 2.117,1161 17.239,1162 5.091,1163 6.589,1164 1.54,1165 1.568,1166 1.547,1167 1.524,1168 1.525,1169 2.106,1170 0.071,1171 4.468,1172 1.493,1173 4.115,1174 4.147,1175 4.076,1176 4.035,1177 7.429,1178 4.041,1179 4.024,1180 4.057,1181 3.982,1182 3.927,1183 5.036,1184 3.937,1185 3.786,1186 3.825,1187 3.733,1188 3.682,1189 4.874,1190 3.689,1191 3.446,1192 3.505,1193 3.359,1194 3.338,1195 4.687,1196 3.335,1197 3.34,1198 3.406,1199 3.236,1200 3.154,1201 4.353,1202 3.157,1203 3.103,1204 3.138,1205 2.995,1206 2.86,1207 4.077,1208 2.883,1209 2.994,1210 3.055,1211 2.894,1212 2.838,1213 3.937,1214 2.859,1215 2.821,1216 2.88,1217 2.701,1218 2.73,1219 3.676,1220 2.717,1221 0.15,1222 0.121,1223 0.219,1224 0.138,1225 0.105,1226 4.507,1227 0.146,1228 3.616,1229 0.035,1230 6.56,1231 0.347,1232 4.126,1233 0.103,1234 3.141,1235 4.366,1236 1.058,1237 10.414,1238 3.091,1239 2.05,1240 2.027,1241 2.124,1242 2.133,1243 1.229,1244 2.132,1245 1.852,1246 1.823,1247 1.942,1248 1.97,1249 1.185,1250 1.963,1251 1.773,1252 1.733,1253 1.923,1254 1.941,1255 1.037,1256 1.938,1257 1.47,1258 1.433,1259 1.604,1260 1.615,1261 0.696,1262 1.609,1263 1.303,1264 1.253,1265 1.468,1266 1.484,1267 0.554,1268 1.485,1269 1.061,1270 0.978,1271 1.297,1272 1.306,1273 0.416,1274 1.316,1275 0.983,1276 0.926,1277 1.209,1278 1.164,1279 0.244,1280 1.178,1281 0.855,1282 0.805,1283 1.107,1284 1.155,1285 0.174,1286 1.143,1287 4.111,1289 5.451,1290 2.398,1291 6.997,1292 4.727,1293 8.631,1294 6.862,1295 10.307,1303 1.504,1305 2.878,1314 28.961,1315 62.239,1316 150.503,1317 194.477,1318 220.477,1319 222.477,1320 222.477,1321 32.242,1322 8.066,1323 70.67,1324 70.67,1325 29,1326 12.65,1327 4.585,1328 3.7,1329 33.976,1330 98,1331 86,1332 0.172,1333 174.215,1334 290.21,1335 416.844,1336 38551,1338 17.51,1339 0.673,1340 0.538,1341 17.51,1342 13.99,1343 12.776,1344 0.426,1345 0.286,1346 8.512,1347 12.442,1348 8.354,1349 6.881,1350 12.776,1351 8.595,1352 11.628,1353 0.27,1354 0.149,1355 11.628,1356 6.428,1357 10.42,1358 0.174,1359 0.079,1360 10.42,1361 4.762,1362 8.993,1363 0.111,1364 0.042,1365 8.993,1366 3.416,1367 7.566,1368 0.071,1369 0.023,1370 7.566,1371 2.394,1372 0.269,1373 79.004,1374 0.218,1375 24.998,1376 0.474,1377 146,1378 383.691,1379 155.43,1380 382.054,1381 538.88,1382 360,1383 176,1384 410.51,1385 185.82,1386 419.936,1387 618.23,1388 398,1389 5.1}
{0 CHEMBL226471,1 1.612,2 8.783,3 3.023,4 9.139,5 85.113,6 8.307,7 0.654,8 3.743,9 3.852,10 3.405,11 3.352,12 4.929,13 3.349,14 4.246,15 4.385,16 3.783,17 3.75,18 5.446,19 3.73,20 4.501,21 4.693,22 3.825,23 3.832,24 5.683,25 3.796,26 4.481,27 4.677,28 3.728,29 3.74,30 5.755,31 3.695,32 4.36,33 4.576,34 3.526,35 3.636,36 5.496,37 3.568,38 4.2,39 4.395,40 3.484,41 3.543,42 5.364,43 3.488,44 4.195,45 4.402,46 3.373,47 3.44,48 5.389,49 3.374,50 4.118,51 4.363,52 3.201,53 3.248,54 5.295,55 3.182,56 0.053,57 0.61,58 5.887,59 3.122,60 7.291,61 3.61,62 0.143,63 0.993,64 10.938,65 5.333,66 16.895,67 6.404,68 0.248,69 1.243,70 17.274,71 7.101,72 36.143,73 8.602,74 0.424,75 1.231,76 17.697,77 6.875,78 55.688,79 8.144,80 0.309,81 1.045,82 16.544,83 6.521,84 46.126,85 7.964,86 0.156,87 0.908,88 12.761,89 5.543,90 23.455,91 6.89,92 0.261,93 0.892,94 13.495,95 5.358,96 34.161,97 6.641,98 0.307,99 0.823,100 14.125,101 4.992,102 42.811,103 6.268,104 5,105 37,106 0.286,107 0.645,108 0.802,109 0.897,110 0.906,111 0.906,112 3.189,113 0.858,114 -4.06,115 -4,116 -3.79,119 48.6,121 1,125 1,142 7,143 3,144 1,145 1,146 1,152 2,158 1,172 7,175 4,178 1,180 6,183 8,188 3,193 3,196 8,200 3,203 1,204 1,208 7,213 3,216 1,218 2,221 7,225 3,230 3,233 5,238 1,243 2,246 5,249 1,250 1,253 1,255 2,258 4,264 1,269 1,272 3,276 669,277 15.792,278 15.792,279 15.792,280 15.792,281 15.792,282 13.705,283 9.373,284 9.266,285 15.998,286 12.848,287 12.848,288 12.848,289 12.848,290 12.848,291 9.621,292 7.571,293 4.393,294 13.182,295 3.598,296 1.579,297 0.693,298 0.162,299 0.108,300 0.108,301 3.889,304 1,305 1,306 1,307 448,308 2,311 42.292,312 191.871,315 84.713,319 1.376,320 26.387,321 1,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 50,332 202,333 4.505,334 3.616,335 6.565,336 4.128,337 3.144,338 4.207,339 1.058,340 10.431,341 3.092,342 4.353,343 3.197,344 6.457,345 3.969,346 2.992,347 4.005,349 9.981,350 2.918,351 3.978,352 2.938,353 6.025,354 3.616,355 2.628,356 3.488,358 8.586,359 2.591,360 3.514,361 2.585,362 5.113,363 3.061,364 2.101,365 2.861,367 5.966,368 2.012,369 3.261,370 2.232,371 4.997,372 2.882,373 1.899,374 2.463,376 5.552,377 1.855,378 2.896,379 1.725,380 4.314,381 2.519,382 1.542,383 2.059,385 3.998,386 1.505,387 2.853,388 1.595,389 4.033,390 2.382,391 1.414,392 1.997,394 3.328,395 1.354,396 2.651,397 1.402,398 3.844,399 2.308,400 1.347,401 1.692,403 3.035,404 1.289,405 2.5,406 1.223,407 3.582,408 1.992,409 1,410 1.5,412 2.653,413 0.991,414 2.422,415 1.012,416 3.463,417 1.955,418 1,419 1.388,421 2.399,422 0.952,423 2.054,424 1,425 3.247,426 1.609,427 0.621,428 0.852,430 1.587,431 0.607,432 1.162,433 0.327,434 2.585,435 0.765,436 -0.154,437 -0.193,439 -0.344,440 -0.137,441 1.031,442 0.285,443 2.501,444 0.708,445 -0.301,446 -0.366,448 -0.697,449 -0.3,450 0.782,451 -0.509,452 2.34,453 0.331,454 -0.638,455 -0.869,457 -1.537,458 -0.611,459 0.674,460 -0.605,461 2,462 0.219,463 -0.757,464 -1.031,466 -2.017,467 -0.737,468 10.819,469 0.47,470 0.538,471 0.023,472 32.5,473 1.413,474 17.5,475 0.761,476 15,477 0.652,478 15.069,479 0.655,480 23.381,481 0.632,482 22.64,483 0.984,484 6.57,485 0.286,486 4.651,487 0.202,488 0.057,490 0.37,494 1,496 0.628,497 0.965,498 0.669,499 0.871,500 0.516,501 0.792,502 0.625,503 1.046,504 0.784,505 1.01,506 0.547,507 0.949,508 0.967,509 1.057,510 0.936,511 1.004,512 0.873,513 0.965,514 1.122,515 0.985,516 1.104,517 1.018,518 1.182,519 1.051,520 1.053,521 0.886,522 1.043,523 0.903,524 1.067,525 0.957,526 0.818,527 1.072,528 0.932,529 1.093,530 0.758,531 1.051,532 0.949,533 1.005,534 1.068,535 1.112,536 1,537 1.122,538 1.132,539 0.961,540 1.03,541 0.901,542 1.155,543 0.93,544 4,545 0.052,546 2.889,547 1.632,548 1.188,549 0.649,550 0.364,551 0.194,552 0.232,553 0.113,554 5771,555 16806,556 2.168,557 37.8,559 9,561 1,562 2,563 2,567 1.658,568 2.06,569 3.157,570 0.278,571 1,572 1,574 1,577 59.633,578 1.612,579 3.631,580 4.516,581 5.047,582 5.101,583 5.101,584 2.541,585 4.437,586 4.499,587 3.289,588 832.115,589 7.747,590 9273.61,591 1,592 1,593 1,594 1,595 192.75,596 1.302,597 4.469,598 0.154,599 0.005,600 0.078,601 0.044,602 0.037,603 0.024,604 0.014,605 0.009,606 0.013,607 0.008,608 0.386,609 0.67,610 1,611 0.503,612 106.453,613 -0.06,614 -0.018,615 0.025,616 0.049,617 -0.041,618 0.059,619 0.025,620 -0.11,621 -0.01,622 -0.08,623 0.025,624 -0.061,625 -0.089,626 -0.099,627 -0.012,628 -0.049,629 -0.03,630 -0.017,631 -0.016,632 0.031,633 -0.132,634 -0.064,635 -0.062,636 -0.116,637 -0.107,638 0.066,639 -0.053,640 0.084,641 -0.111,642 0.04,643 -0.035,644 -0.135,645 -0.011,646 -0.114,647 -0.001,648 -0.069,650 -0.077,651 -0.09,652 -0.142,653 -0.041,654 -0.144,655 -0.007,656 0.052,657 0.058,658 0.08,659 -0.048,660 0.083,661 1.97,662 5.946,663 0.913,664 16.699,665 1.012,666 1.123,667 2.826,668 7.987,669 0.702,670 3.296,671 3.638,672 3.951,673 4.234,674 4.454,675 4.522,676 4.644,677 4.787,678 4.852,679 4.927,680 5.429,681 0.684,682 307.35,683 3.296,684 4.844,685 5.714,686 6.603,687 7.487,688 8.381,689 9.271,690 10.166,691 11.058,692 11.955,693 8.1,700 1,701 1,703 1,709 8,710 1,711 1,714 7,716 17,723 1,734 1,735 37,737 18,738 1,739 26,741 40,742 18,743 15,744 2,745 4,746 1,748 4,749 5,757 1,760 1,762 16,763 2,767 1,772 1,776 1,779 1,780 1,781 1,783 14,784 4,785 2,786 5,792 3,797 0.75,798 1,809 1,811 1,815 1,816 3,819 1,843 3,849 1,851 23,858 2,860 1,873 1,874 2.7,877 1,881 11.167,882 6.676,883 4.972,884 2.222,886 3.329,887 1.451,888 1.06,889 3.378,890 10.711,891 3.597,892 4.223,893 4.851,894 5.453,895 5.957,896 6.272,897 6.699,898 7.124,899 7.511,900 7.865,901 0.833,902 37,903 8.524,905 3.773,906 7.906,907 16.06,909 13.541,911 2.406,912 55.333,916 141.253,917 111.674,918 51.582,920 25.145,921 14.96,923 111.674,924 166.398,925 66.542,927 22.651,928 66.334,929 58.406,930 47.267,931 20.474,932 129.482,934 141.253,935 163.256,936 40.105,939 156.213,940 25.145,943 51.241,944 95.23,945 16.786,947 156.213,948 76.727,949 111.674,952 141.253,953 36.293,954 75.381,955 34.796,956 56.891,957 141.253,958 91.687,959 111.674,961 0.586,962 0.353,963 0.195,964 0.104,965 20,966 8,967 0.05,968 2,969 1,970 1.095,971 3.552,972 192.621,973 0.095,974 21,975 104.042,981 14.012,982 5.544,983 2.504,985 74.901,986 13.717,987 4.26,988 3.291,991 4.055,993 34.796,994 344.614,995 35.5,1000 11.87,1004 -0.058,1007 37.447,1008 41.535,1009 0.309,1010 0.697,1011 0.867,1012 0.969,1013 0.979,1014 0.979,1015 4.83,1016 1.347,1017 5.7,1018 3.328,1019 4.317,1020 4.909,1021 1.176,1022 6.532,1023 4.269,1024 6.046,1025 1,1026 7.27,1027 3.035,1028 3.892,1029 4.677,1031 7.455,1032 3.826,1033 7.359,1034 1,1035 8.942,1036 2.653,1037 5.927,1038 7.119,1039 1.255,1040 10.578,1041 5.839,1042 8.71,1043 0.621,1044 10.674,1045 2.399,1046 6.347,1047 7.735,1049 12.335,1050 6.244,1051 10.095,1052 -0.154,1053 12.444,1054 1.587,1055 7.838,1056 9.617,1057 1.338,1058 14.95,1059 7.715,1060 11.503,1061 -0.301,1062 14.24,1063 -0.344,1064 8.643,1065 10.631,1067 17.034,1068 8.503,1069 12.929,1070 -0.638,1071 16.053,1072 -0.697,1073 9.913,1074 12.268,1075 1.422,1076 19.468,1077 9.754,1078 3.144,1079 -0.757,1080 17.879,1081 -1.537,1082 10.893,1083 13.479,1085 21.687,1086 10.717,1087 2.992,1088 10.431,1089 19.714,1090 -2.017,1091 12.073,1092 15.002,1093 1.51,1094 24.053,1095 11.878,1096 2.628,1097 9.981,1098 21.556,1099 4.207,1100 13.132,1101 16.312,1103 26.33,1104 12.918,1105 2.101,1106 8.586,1107 23.404,1108 4.005,1109 14.276,1110 17.78,1111 1.599,1112 28.67,1113 14.044,1114 1.899,1115 5.966,1116 25.255,1117 3.488,1118 15.372,1119 19.142,1121 30.974,1122 15.121,1123 1.542,1124 5.552,1125 27.11,1126 2.861,1127 16.503,1128 20.584,1129 1.69,1130 33.305,1131 16.234,1132 1.414,1133 3.998,1134 28.968,1135 2.463,1136 17.615,1137 21.973,1139 35.621,1140 17.328,1141 5414,1142 9340,1143 17.8,1144 25.978,1145 39.935,1146 40.881,1147 40.663,1148 39.434,1149 39.376,1150 53.023,1151 2.117,1152 115.029,1153 38.334,1154 5.449,1155 5.616,1156 6.25,1157 5.167,1158 5.144,1159 7.207,1160 2.117,1161 17.3,1162 5.092,1163 8.413,1164 1.536,1165 1.572,1166 1.564,1167 1.517,1168 1.514,1169 2.039,1170 0.081,1171 4.424,1172 1.474,1173 4.088,1174 4.123,1175 4.048,1176 3.988,1177 8.201,1178 3.998,1179 3.931,1180 3.962,1181 3.888,1182 3.841,1183 7.429,1184 3.848,1185 3.708,1186 3.749,1187 3.644,1188 3.606,1189 4.942,1190 3.609,1191 3.381,1192 3.46,1193 3.278,1194 3.175,1195 4.717,1196 3.181,1197 3.104,1198 3.138,1199 2.995,1200 2.873,1201 4.568,1202 2.888,1203 2.954,1204 3.002,1205 2.867,1206 2.833,1207 4.076,1208 2.851,1209 2.894,1210 2.954,1211 2.792,1212 2.733,1213 3.727,1214 2.734,1215 2.735,1216 2.804,1217 2.622,1218 2.577,1219 3.676,1220 2.578,1221 0.173,1222 0.139,1223 0.252,1224 0.159,1225 0.121,1226 4.505,1227 0.162,1228 3.616,1229 0.041,1230 6.565,1231 0.401,1232 4.128,1233 0.119,1234 3.144,1235 4.207,1236 1.058,1237 10.431,1238 3.092,1239 1.96,1240 1.936,1241 2.04,1242 2.053,1243 1.185,1244 2.05,1245 1.773,1246 1.74,1247 1.924,1248 1.957,1249 1.138,1250 1.948,1251 1.763,1252 1.726,1253 1.874,1254 1.867,1255 0.955,1256 1.871,1257 1.354,1258 1.304,1259 1.496,1260 1.56,1261 0.589,1262 1.54,1263 1.064,1264 0.984,1265 1.298,1266 1.306,1267 0.429,1268 1.316,1269 0.964,1270 0.917,1271 1.188,1272 1.164,1273 0.278,1274 1.145,1275 0.859,1276 0.804,1277 1.11,1278 1.096,1279 0.155,1280 1.127,1281 0.852,1282 0.804,1283 1.088,1284 1.068,1285 0.138,1286 1.076,1287 3.97,1289 5.303,1290 2.398,1291 6.841,1292 4.727,1293 8.467,1294 6.862,1295 10.135,1299 13.946,1303 1.426,1305 2.827,1314 25.323,1315 59.633,1316 134.343,1317 167.098,1318 186.75,1319 188.75,1320 188.75,1321 36.833,1322 7.382,1323 57.78,1324 57.78,1325 23,1326 12.48,1327 4.248,1328 3.392,1329 31.837,1330 75,1331 64,1332 0.21,1333 153.09,1334 261.92,1335 365.299,1336 15713,1337 2.7,1338 15.811,1339 0.687,1340 0.533,1341 14.941,1342 12.266,1343 11.22,1344 0.432,1345 0.286,1346 7.344,1347 10.84,1348 7.229,1349 5.944,1350 10.81,1351 7.436,1352 10.176,1353 0.275,1354 0.148,1355 9.648,1356 5.491,1357 8.957,1358 0.176,1359 0.079,1360 8.49,1361 4.025,1362 7.661,1363 0.113,1364 0.042,1365 7.26,1366 2.863,1367 6.147,1368 0.072,1369 0.023,1370 5.935,1371 1.944,1372 0.324,1373 70.082,1374 0.237,1375 22.298,1376 0.594,1377 126,1378 408.157,1379 137.54,1380 374.377,1381 509.63,1382 350,1383 151,1384 374.378,1385 162.314,1386 374.87,1387 551.99,1388 355,1389 5.1}
{0 CHEMBL230011,1 1.675,2 7.885,3 2.637,4 6.954,5 95.202,6 8.659,7 0.793,8 3.843,9 3.954,10 3.515,11 3.384,12 5.164,13 3.411,14 4.25,15 4.376,16 3.905,17 3.754,18 5.605,19 3.767,20 4.496,21 4.657,22 3.98,23 3.858,24 5.801,25 3.863,26 4.507,27 4.696,28 3.942,29 3.821,30 5.799,31 3.817,32 4.496,33 4.674,34 3.931,35 3.849,36 5.791,37 3.846,38 4.514,39 4.684,40 3.954,41 3.893,42 5.791,43 3.878,44 4.559,45 4.734,46 3.901,47 3.861,48 5.867,49 3.837,50 4.566,51 4.771,52 3.675,53 3.667,54 5.923,55 3.619,56 0.151,57 0.65,58 6.242,59 2.923,60 22.572,61 3.025,62 0.206,63 0.992,64 9.428,65 4.932,66 19.459,67 5.714,68 0.38,69 1.197,70 14.477,71 5.901,72 42.394,73 6.727,74 0.385,75 1.197,76 16.05,77 6.158,78 47.359,79 7.601,80 0.445,81 1.192,82 15.109,83 5.438,84 53.866,85 6.345,86 0.349,87 1.188,88 15.003,89 6.25,90 38.169,91 7.587,92 0.335,93 1.202,94 15.847,95 6.594,96 35.346,97 7.887,98 0.528,99 1.095,100 18.861,101 6.686,102 68.064,103 8.135,104 17,105 42,106 0.29,107 0.593,108 0.706,109 0.801,110 0.81,111 0.827,112 3.306,113 0.797,114 -3.67,115 -3.64,116 -3.47,119 45,142 8,143 2,144 2,146 3,147 1,149 1,150 1,163 2,164 2,165 2,172 8,174 2,175 2,177 3,178 3,180 4,183 8,187 3,188 6,190 1,191 1,193 4,196 5,199 1,200 7,202 3,203 3,204 1,205 2,207 2,208 4,211 1,213 8,215 1,216 3,218 1,221 6,223 1,225 8,228 2,230 6,233 6,235 4,238 5,241 1,243 10,246 5,248 6,250 3,253 2,254 1,255 7,257 1,258 2,260 5,264 1,267 1,268 3,269 5,271 2,272 1,274 3,276 968,277 17.394,278 17.394,279 17.394,280 17.394,281 17.394,282 14.631,283 10.638,284 10.119,285 17.75,286 14.347,287 14.347,288 14.347,289 14.347,290 14.347,291 10.22,292 9.826,293 4.859,294 14.991,295 3.647,296 1.9,297 1.25,298 0.7,299 0.65,300 0.55,301 4.001,304 1,305 1,306 1,307 444,308 2.236,312 260.282,316 105.77,319 1.142,320 32.774,322 1,323 0.75,324 0.83,325 0.83,326 0.3,328 0.67,329 0.5,330 0.55,331 57,332 205,333 4.649,334 3.248,335 6.774,336 4.196,337 3.234,338 4.578,340 11.176,341 3.116,342 4.297,343 2.941,344 6.389,345 3.854,346 2.895,347 3.974,349 9.753,350 2.771,351 4.054,352 2.762,353 5.838,354 3.636,355 2.654,356 3.67,358 8.121,359 2.605,360 3.737,361 2.534,362 5.176,363 3.282,364 2.329,365 3.237,367 6.384,368 2.213,369 3.499,370 2.232,371 5.075,372 3.033,373 2.109,374 2.888,376 5.993,377 1.951,378 3.423,379 2.164,380 5.002,381 2.969,382 2.03,383 2.787,385 5.823,386 1.895,387 3.269,388 1.989,389 4.888,390 2.826,391 1.889,392 2.538,394 5.438,395 1.761,396 2.868,397 1.492,398 4.383,399 2.382,400 1.411,401 2.03,403 3.928,404 1.365,405 2.697,406 1.285,407 3.972,408 2.215,409 1.236,410 1.786,412 3.058,413 1.208,414 2.571,415 1.091,416 3.484,417 2.068,418 1.08,419 1.606,421 2.53,422 1.066,423 2.459,424 1.031,425 3.472,426 1.935,427 1,428 1.441,430 2.497,431 0.932,432 1.461,433 0.159,434 3.09,435 1.02,436 0.087,437 0.116,439 0.245,440 0.081,441 1.126,442 -0.057,443 2.816,444 0.631,445 -0.302,446 -0.416,448 -0.804,449 -0.281,450 0.937,451 -0.057,452 2.555,453 0.527,454 -0.404,455 -0.51,457 -0.901,458 -0.37,459 0.92,460 -0.258,461 2.37,462 0.502,463 -0.42,464 -0.529,466 -1.023,467 -0.382,468 12.067,469 0.464,470 0.75,471 0.029,472 41.5,473 1.596,474 24,475 0.923,476 17.5,477 0.673,478 15.646,479 0.602,480 26.333,481 0.658,482 31.77,483 1.222,484 8.228,485 0.316,486 4.28,487 0.165,488 0.122,490 0.414,496 1.119,497 1.065,498 0.755,499 0.753,500 1.21,501 0.682,502 0.562,503 1.047,504 0.628,505 1.018,506 0.518,507 0.881,508 1.035,509 1.088,510 0.925,511 0.99,512 1,513 0.948,514 0.828,515 1.029,516 0.824,517 0.956,518 0.731,519 0.902,520 1.021,521 0.943,522 1.012,523 0.816,524 0.916,525 0.871,526 0.794,527 1.068,528 0.897,529 1.019,530 0.708,531 0.978,532 0.958,533 1.221,534 1.072,535 1.267,536 0.896,537 1.202,538 1.214,539 1.162,540 1.277,541 1.301,542 1.326,543 1.311,544 6,545 0.012,546 2.889,547 2,548 1.933,549 1.035,550 0.773,551 0.606,552 0.358,553 0.144,554 6983,555 22132,556 2.101,557 35,559 8,562 6,567 1.701,568 1.95,569 2.983,570 3.468,571 1,572 1,574 1,577 67.006,578 1.675,579 3.422,580 4.072,581 4.622,582 4.672,583 4.772,584 2.411,585 3.594,586 4.672,587 3.145,588 1022,589 8.154,590 12426.2,591 1,592 1,593 1,594 1,595 212.877,596 1.46,597 4.624,598 0.207,599 0.006,600 0.069,601 0.045,602 0.046,603 0.025,604 0.018,605 0.016,606 0.013,607 0.01,608 0.455,609 0.33,610 1,611 0.596,612 123.35,613 -0.263,614 0.048,615 -0.044,616 0.188,617 -0.341,618 0.139,619 0.154,620 0.046,621 0.108,622 -0.061,623 0.123,624 -0.014,625 -0.091,626 -0.037,627 -0.068,628 -0.051,629 -0.13,630 -0.062,631 0.035,632 -0.001,633 0.095,634 -0.006,635 0.064,636 0.038,637 -0.124,638 0.136,639 -0.139,640 0.102,641 -0.108,642 0.013,643 0.003,644 -0.043,645 -0.032,646 -0.048,647 0.022,648 -0.04,649 -0.078,650 -0.225,651 -0.173,652 -0.296,653 -0.018,654 -0.256,655 -0.045,656 -0.243,657 -0.23,658 -0.323,659 -0.068,660 -0.32,661 1.67,662 3.83,663 0.846,664 19.941,665 1.02,666 1.127,667 2.443,668 5.967,669 0.7,670 3.401,671 3.761,672 4.043,673 4.369,674 4.673,675 4.82,676 4.997,677 5.165,678 5.288,679 5.252,680 5.233,681 0.692,682 346.38,683 3.401,684 4.963,685 5.826,686 6.727,687 7.612,688 8.521,689 9.417,690 10.33,691 11.232,692 12.147,693 15,697 2,703 4,708 2,709 8,710 4,714 8,716 23,727 2,732 2,735 40,737 23,738 2,739 29,741 43,742 18,743 18,744 4,745 8,748 4,749 5,762 18,779 1,780 1,783 14,784 8,785 6,786 8,792 6,797 0.75,798 2,806 1,810 1,816 4,820 1,843 3,851 26,852 2,857 2,874 5,876 2,881 13.333,882 7.033,883 5.556,884 2.09,886 4.41,887 1.585,888 0.998,889 3.88,890 11.946,891 3.726,892 4.425,893 5.075,894 5.749,895 6.417,896 6.84,897 7.373,898 7.9,899 8.391,900 8.697,901 1,902 44,903 9.529,905 4.18,906 7.987,907 17.529,909 14.367,911 2.487,912 64.667,915 1,916 94.169,917 95.781,918 132.936,920 85.367,923 95.781,924 179.536,925 132.936,928 141.604,929 152.509,930 15.744,931 4.227,932 94.169,934 94.169,935 228.718,936 85.367,939 95.884,940 85.367,943 9.557,944 150.303,945 67.142,947 94.169,948 218.303,949 95.781,952 94.169,953 19.971,954 75.81,956 218.303,957 94.169,958 218.303,959 95.781,961 0.591,962 0.339,963 0.192,964 0.113,965 22,966 10,967 0.047,968 2,969 1,970 1.091,971 3.637,972 235.083,973 0.091,974 22,975 112.211,981 16.21,982 6.224,983 3.048,984 0.554,985 218.303,986 13.226,987 17.142,991 2.499,993 151.161,994 408.253,995 40.5,1007 40.8,1008 45.069,1009 0.315,1010 0.643,1011 0.765,1012 0.868,1013 0.878,1014 0.897,1015 4.961,1016 1.411,1017 5.832,1018 5.438,1019 4.443,1020 5.112,1022 6.671,1023 4.356,1024 6.212,1025 1.236,1026 7.405,1027 3.928,1028 4.111,1029 5.007,1031 7.591,1032 3.968,1033 7.542,1034 1.08,1035 9.076,1036 3.058,1037 6.061,1038 7.417,1040 10.724,1041 5.9,1042 8.906,1043 1,1044 10.802,1045 2.53,1046 6.494,1047 8.089,1049 12.468,1050 6.282,1051 10.299,1052 0.087,1053 12.566,1054 2.497,1055 7.958,1056 9.993,1058 15.131,1059 7.727,1060 11.712,1061 -0.302,1062 14.356,1063 0.245,1064 8.76,1065 11.063,1067 17.239,1068 8.483,1069 13.143,1070 -0.404,1071 16.166,1072 -0.804,1073 10.025,1074 12.741,1076 19.729,1077 9.724,1078 3.234,1079 -0.42,1080 17.992,1081 -0.901,1082 11.008,1083 14.022,1085 21.999,1086 10.665,1087 2.895,1088 11.176,1089 19.831,1090 -1.023,1091 12.195,1092 15.597,1094 24.426,1095 11.822,1096 2.654,1097 9.753,1098 21.681,1099 4.578,1100 13.266,1101 16.989,1103 26.766,1104 12.853,1105 2.329,1106 8.121,1107 23.539,1108 3.974,1109 14.425,1110 18.52,1112 29.172,1113 13.978,1114 2.109,1115 6.384,1116 25.404,1117 3.67,1118 15.539,1119 19.969,1121 31.545,1122 15.053,1123 2.03,1124 5.993,1125 27.275,1126 3.237,1127 16.691,1128 21.483,1130 33.945,1131 16.17,1132 1.889,1133 5.823,1134 29.151,1135 2.888,1136 17.827,1137 22.963,1139 36.334,1140 17.267,1141 6705,1142 12062,1143 19.304,1144 27.989,1145 44.451,1146 43.771,1147 45.569,1148 43.99,1149 43.908,1150 61.301,1152 129.891,1153 41.928,1154 5.346,1155 5.248,1156 6.327,1157 5.279,1158 5.234,1159 7.578,1161 18.39,1162 5.116,1163 12.864,1164 1.533,1165 1.509,1166 1.571,1167 1.517,1168 1.514,1169 2.114,1171 4.479,1172 1.446,1173 4.091,1174 4.128,1175 4.075,1176 3.982,1177 6.473,1178 3.997,1179 3.852,1180 3.882,1181 3.805,1182 3.787,1183 6.468,1184 3.785,1185 3.845,1186 3.874,1187 3.793,1188 3.712,1189 5.34,1190 3.735,1191 3.378,1192 3.439,1193 3.336,1194 3.197,1195 4.99,1196 3.223,1197 3.104,1198 3.219,1199 3.003,1200 2.81,1201 4.887,1202 2.846,1203 2.946,1204 2.98,1205 2.846,1206 2.747,1207 4.591,1208 2.758,1209 2.936,1210 2.973,1211 2.819,1212 2.746,1213 4.555,1214 2.749,1215 2.872,1216 2.944,1217 2.757,1218 2.724,1219 4.15,1220 2.724,1221 0.16,1222 0.112,1223 0.234,1224 0.145,1225 0.112,1226 4.649,1227 0.158,1228 3.248,1230 6.774,1231 0.385,1232 4.196,1233 0.107,1234 3.234,1235 4.578,1237 11.176,1238 3.116,1239 2.008,1240 1.982,1241 2.064,1242 2.14,1243 1.164,1244 2.112,1245 1.847,1246 1.826,1247 1.957,1248 1.939,1249 1.03,1250 1.943,1251 1.786,1252 1.749,1253 1.845,1254 1.937,1255 0.844,1256 1.923,1257 1.286,1258 1.239,1259 1.397,1260 1.52,1261 0.407,1262 1.488,1263 0.989,1264 0.892,1265 1.263,1266 1.373,1267 0.185,1268 1.352,1269 0.883,1270 0.84,1271 1.142,1272 1.146,1273 0.144,1274 1.132,1275 0.883,1276 0.839,1277 1.138,1278 1.142,1279 0.106,1280 1.131,1281 0.845,1282 0.792,1283 1.059,1284 1.062,1286 1.071,1287 4.078,1289 5.425,1291 6.973,1293 8.617,1295 10.312,1301 11.587,1302 19.658,1314 27.665,1315 67.006,1316 136.877,1317 162.877,1318 184.877,1319 186.877,1320 190.877,1321 42.163,1322 7.536,1323 144.06,1324 144.06,1325 24,1326 12.661,1327 4.585,1328 3.644,1329 37.551,1330 80,1331 74,1332 0.231,1333 170.416,1334 281.46,1335 407.575,1336 17492,1338 18.259,1339 0.702,1340 0.518,1341 18.259,1342 13.457,1343 12.508,1344 0.431,1345 0.266,1346 7.597,1347 12.051,1348 7.471,1349 6.185,1350 12.508,1351 7.706,1352 11.841,1353 0.282,1354 0.135,1355 11.841,1356 5.661,1357 9.65,1358 0.172,1359 0.068,1360 9.65,1361 3.815,1362 8.595,1363 0.11,1364 0.035,1365 8.595,1366 2.695,1367 7.121,1368 0.067,1369 0.017,1370 7.121,1371 1.843,1372 0.345,1373 78.413,1374 0.228,1375 24.278,1376 0.696,1377 142,1378 433.504,1379 156.754,1380 431.088,1381 596.14,1382 400,1383 169,1384 455.018,1385 183.285,1386 462.753,1387 679.33,1388 436,1389 5}
{0 CHEMBL2309006,1 1.547,2 7.727,3 3.097,4 9.588,5 120.91,6 8.139,7 0.6,8 4.166,9 4.257,10 3.825,11 3.754,12 5.256,13 3.76,14 4.761,15 4.88,16 4.355,17 4.261,18 5.837,19 4.266,20 5.105,21 5.244,22 4.581,23 4.502,24 6.247,25 4.5,26 5.272,27 5.421,28 4.66,29 4.645,30 6.369,31 4.624,32 5.354,33 5.532,34 4.675,35 4.696,36 6.412,37 4.657,38 5.343,39 5.511,40 4.583,41 4.661,42 6.447,43 4.604,44 5.32,45 5.527,46 4.257,47 4.47,48 6.426,49 4.363,50 5.075,51 5.343,52 3.604,53 4.018,54 6.113,55 3.844,56 0.099,57 0.784,58 9.631,59 4.91,60 17.601,61 5.507,62 0.341,63 1.418,64 19.436,65 8.823,66 35.052,67 10.31,68 0.718,69 1.945,70 30.363,71 12.462,72 77.919,73 14.241,74 0.757,75 2.287,76 36.384,77 14.993,78 73.412,79 17.333,80 0.663,81 2.483,82 41.505,83 17.22,84 56.009,85 21.179,86 0.509,87 2.417,88 39.468,89 17.223,90 55.808,91 20.833,92 0.759,93 2.258,94 43.8,95 17.535,96 98.068,97 21.867,98 0.716,99 1.704,100 40.317,101 14.344,102 102.389,103 18.88,104 18,105 67,106 0.249,107 0.619,108 0.763,109 0.835,110 0.859,111 0.883,112 3.535,113 0.847,114 -3.29,115 -3.28,116 -3.14,119 48.1,120 1,121 1,125 2,128 1,130 1,131 1,142 8,143 6,152 4,158 1,172 13,174 2,175 11,178 1,180 3,183 14,187 1,188 11,191 2,192 1,193 4,196 14,200 15,203 3,205 3,208 16,212 1,213 12,216 3,218 5,221 21,224 1,225 9,230 13,233 18,237 1,238 4,241 1,243 14,246 11,250 2,254 1,255 5,258 9,267 1,268 1,269 1,272 4,276 1301,277 22.786,278 22.786,279 22.786,280 22.786,281 22.786,282 20.109,283 22.317,284 12.437,285 23.145,286 19.686,287 19.686,288 19.686,289 19.686,290 19.686,291 15.274,292 33.429,293 5.793,294 20.376,295 4.207,296 1.911,297 1.014,298 0.57,299 0.421,300 0.273,301 4.275,305 1,306 1,307 598,308 3.742,311 107.303,312 102.591,313 33.756,314 42.206,315 238.345,316 98.475,317 169.706,318 368.985,319 1.025,320 40.781,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 71.5,332 255,333 5.167,334 4.216,335 8.578,336 4.888,337 3.95,338 5.287,339 1.157,340 17.076,341 3.709,342 4.839,343 3.743,344 7.514,345 4.519,346 3.541,347 4.711,348 1.081,349 13.895,350 3.461,351 4.621,352 3.401,353 7.068,354 4.173,355 3.205,356 4.017,357 0.473,358 12.128,359 3.106,360 4.243,361 3.28,362 6.721,363 3.89,364 2.912,365 3.728,366 0.297,367 10.751,368 2.842,369 3.864,370 2.802,371 6.325,372 3.386,373 2.428,374 3.484,376 9.099,377 2.344,378 3.687,379 2.622,380 6.05,381 3.362,382 2.392,383 3.086,385 8.432,386 2.292,387 3.523,388 2.507,389 5.903,390 3.181,391 2.232,392 2.849,394 7.831,395 2.111,396 3.4,397 2.32,398 5.647,399 3.021,400 2.037,401 2.668,403 6.962,404 1.991,405 3.066,406 1.989,407 5.228,408 2.707,409 1.742,410 2.168,412 5.578,413 1.667,414 2.886,415 1.703,416 4.884,417 2.433,418 1.453,419 2.04,421 4.482,422 1.422,423 2.863,424 1.513,425 4.715,426 2.419,427 1.433,428 1.976,430 4.192,431 1.405,432 2.817,433 1.399,434 4.075,435 2.379,436 1.381,437 1.922,439 3.037,440 1.376,441 2.631,442 1.286,443 3.877,444 2.175,445 1.19,446 1.676,448 2.904,449 1.17,450 2.223,451 1.147,452 3.713,453 1.925,454 0.966,455 1.163,457 2.683,458 0.923,459 2.062,460 1.134,461 3.63,462 1.632,463 0.655,464 0.887,466 1.776,467 0.637,468 15.533,469 0.471,470 1.119,471 0.034,472 42.75,473 1.295,474 19.5,475 0.591,476 23.25,477 0.705,478 34.432,479 1.043,480 33.667,481 0.623,482 36.631,483 1.11,484 8.087,485 0.245,486 7.896,487 0.239,488 0.097,489 0.064,490 0.438,496 0.873,497 1.118,498 0.699,499 0.879,500 0.808,501 0.775,502 0.825,503 1.051,504 0.693,505 0.845,506 0.691,507 0.759,508 1.093,509 0.987,510 0.858,511 0.84,512 0.862,513 0.806,514 1.119,515 1.032,516 0.986,517 0.932,518 0.985,519 0.929,520 0.889,521 0.944,522 0.887,523 0.946,524 0.753,525 0.918,526 0.949,527 1.184,528 1.091,529 1.231,530 0.858,531 1.195,532 1.025,533 1.148,534 1.246,535 1.279,536 1.134,537 1.305,538 1.099,539 0.946,540 1.221,541 1.106,542 1.371,543 1.179,544 6,546 5.333,547 5.167,548 3.731,549 2.737,550 2.031,551 0.847,552 0.293,553 0.06,554 12383,555 30965,556 2.278,557 38.9,559 12,560 1,562 3,565 3,566 2,567 1.769,568 2.106,569 2.893,570 0.802,572 1,577 83.559,578 1.547,579 3.843,580 4.741,581 5.185,582 5.334,583 5.482,584 2.28,585 4.681,586 5.021,587 2.988,588 1577.92,589 8.884,590 20584.4,592 1,595 310.764,596 1.668,597 4.965,598 0.15,600 0.08,601 0.063,602 0.042,603 0.031,604 0.026,605 0.017,606 0.013,607 0.007,608 0.428,609 0.5,610 0.88,611 0.675,612 162.632,613 -0.104,614 -0.042,615 0.043,616 0.07,617 -0.137,618 0.081,619 0.047,620 0.028,621 0.121,622 0.097,623 -0.033,624 0.114,625 0.007,626 0.063,627 0.036,628 0.103,629 0.026,630 0.081,631 -0.077,632 0.006,633 -0.084,634 0.019,635 -0.078,636 -0.024,637 -0.006,638 0.069,639 0.045,640 0.027,641 0.009,642 0.043,643 -0.066,644 -0.193,645 -0.176,646 -0.255,647 -0.005,648 -0.238,649 -0.033,650 -0.213,651 -0.226,652 -0.282,653 -0.023,654 -0.29,655 -0.063,656 -0.06,657 -0.069,658 -0.083,659 -0.09,660 -0.079,661 2.727,662 6.164,663 0.848,664 22.498,665 1.011,666 1.112,667 2.064,668 4.261,669 0.698,670 3.714,671 4.22,672 4.718,673 5.204,674 5.635,675 6.038,676 6.441,677 6.798,678 7.076,679 7.337,680 4.824,681 0.679,682 439.5,683 3.714,684 5.371,685 6.347,686 7.349,687 8.351,688 9.363,689 10.374,690 11.39,691 12.405,692 13.422,693 5.6,700 1,701 2,708 8,709 8,714 2,715 2,716 24,723 1,735 54,737 25,738 3,739 40,741 61,742 26,743 18,744 10,745 8,746 1,748 8,749 80,754 2,757 2,758 1,760 2,762 19,763 7,764 1,767 1,772 1,776 1,780 1,783 21,784 5,785 3,786 7,792 3,797 0.125,798 4,799 1,801 1,803 1,811 2,815 4,816 3,817 1,818 1,819 5,820 2,821 3,822 6,841 2,842 1,843 1,847 1,851 33,857 2,858 3,860 1,861 1,863 1,865 2,874 7.4,875 2,877 1,878 1,881 15.667,882 10.133,883 6.715,884 3.335,886 5.324,887 1.509,888 1.053,889 3.14,890 15.789,891 3.989,892 4.779,893 5.608,894 6.449,895 7.231,896 7.937,897 8.655,898 9.327,899 9.884,900 10.444,901 1,902 82,903 12.431,905 6.082,906 7.732,907 23.765,909 22.398,911 2.232,912 73.667,915 1,916 211.88,917 119.22,918 21.809,920 121.512,923 119.22,924 333.391,925 21.809,926 8.825,927 22.651,928 161.177,929 40.849,930 20.461,931 20.348,932 200.109,934 211.88,935 141.029,936 121.512,939 176.567,940 60.458,941 96.367,943 35.274,944 105.754,947 211.88,948 143.32,949 119.22,952 211.88,953 34.584,954 88.433,955 18.011,956 121.512,957 211.88,958 143.32,959 119.22,961 0.617,962 0.402,963 0.244,964 0.147,965 44,966 18,967 0.016,968 1,969 10,970 1.607,971 3.91,972 416.917,973 0.714,974 25,975 166.465,981 18.522,982 5.594,983 1.829,984 7.694,985 139.522,986 16.104,991 1.713,992 4.203,993 103.377,994 474.42,995 53,1000 13.164,1004 -0.056,1007 54.567,1008 60.069,1009 0.269,1010 0.668,1011 0.824,1012 0.901,1013 0.927,1014 0.953,1015 5.338,1016 2.037,1017 6.435,1018 7.831,1019 4.905,1020 5.468,1021 1.893,1022 7.505,1023 4.834,1024 6.64,1025 1.742,1026 8.157,1027 6.962,1028 4.89,1029 5.645,1031 9.032,1032 4.765,1033 8.052,1034 1.453,1035 9.995,1036 5.578,1037 6.792,1038 7.938,1039 2.006,1040 12.272,1041 6.638,1042 9.507,1043 1.433,1044 11.906,1045 4.482,1046 7.611,1047 8.954,1049 14.629,1050 7.394,1051 10.999,1052 1.381,1053 13.864,1054 4.192,1055 9.076,1056 10.788,1057 2.199,1058 17.511,1059 8.823,1060 12.517,1061 1.19,1062 15.858,1063 3.037,1064 10.22,1065 12.165,1067 20.164,1068 9.902,1069 14.056,1070 0.966,1071 17.879,1072 2.904,1073 11.571,1074 13.851,1075 2.413,1076 22.975,1077 11.207,1078 3.95,1079 0.655,1080 19.921,1081 2.683,1082 12.835,1083 15.382,1085 25.733,1086 12.408,1087 3.541,1088 17.076,1089 21.98,1090 1.776,1091 14.165,1092 17.027,1093 2.637,1094 28.541,1095 13.683,1096 3.205,1097 13.895,1098 24.055,1099 5.287,1100 15.476,1101 18.622,1103 31.338,1104 14.93,1105 2.912,1106 12.128,1107 26.141,1108 4.711,1109 16.81,1110 20.26,1111 2.87,1112 34.154,1113 16.204,1114 2.428,1115 10.751,1116 28.237,1117 4.017,1118 18.142,1119 21.884,1121 36.969,1122 17.471,1123 2.392,1124 9.099,1125 30.342,1126 3.728,1127 19.483,1128 23.524,1129 3.109,1130 39.792,1131 18.749,1132 2.232,1133 8.432,1134 32.453,1135 3.484,1136 20.827,1137 25.162,1139 42.616,1140 20.028,1141 11023,1142 17519,1143 27.164,1144 37.688,1145 65.351,1146 66.741,1147 68.402,1148 64.967,1149 65.008,1150 85.638,1151 6.016,1152 225.989,1153 62.704,1154 6.094,1155 6.216,1156 8.256,1157 6.014,1158 5.95,1159 8.287,1160 2.315,1161 26.593,1162 5.709,1163 14.183,1164 1.634,1165 1.669,1166 1.71,1167 1.624,1168 1.625,1169 2.141,1170 0.15,1171 5.65,1172 1.568,1173 4.369,1174 4.392,1175 4.355,1176 4.288,1177 7.429,1178 4.301,1179 4.016,1180 4.043,1181 3.984,1182 3.951,1183 6.497,1184 3.956,1185 3.851,1186 3.874,1187 3.791,1188 3.698,1189 6.402,1190 3.716,1191 3.722,1192 3.756,1193 3.654,1194 3.622,1195 5.083,1196 3.623,1197 3.447,1198 3.491,1199 3.371,1200 3.277,1201 4.809,1202 3.296,1203 3.307,1204 3.372,1205 3.208,1206 3.166,1207 4.562,1208 3.169,1209 3.179,1210 3.234,1211 3.026,1212 2.976,1213 4.426,1214 2.964,1215 3.08,1216 3.134,1217 2.958,1218 2.902,1219 4.082,1220 2.916,1221 0.129,1222 0.105,1223 0.214,1224 0.122,1225 0.099,1226 5.167,1227 0.132,1228 4.216,1229 0.029,1230 8.578,1231 0.427,1232 4.888,1233 0.093,1234 3.95,1235 5.287,1236 1.157,1237 17.076,1238 3.709,1239 2.037,1240 2.029,1241 2.08,1242 2.081,1243 1.367,1244 2.073,1245 1.937,1246 1.914,1247 2.027,1248 2.047,1249 1.279,1250 2.042,1251 1.917,1252 1.883,1253 1.995,1254 2.024,1255 1.176,1256 2.024,1257 1.622,1258 1.593,1259 1.788,1260 1.791,1261 1.021,1262 1.786,1263 1.473,1264 1.427,1265 1.678,1266 1.704,1267 0.907,1268 1.694,1269 1.351,1270 1.294,1271 1.567,1272 1.637,1273 0.755,1274 1.615,1275 1.218,1276 1.181,1277 1.427,1278 1.442,1279 0.568,1280 1.438,1281 1.039,1282 0.982,1283 1.271,1284 1.275,1285 0.422,1286 1.287,1287 4.394,1289 5.855,1290 3.714,1291 7.523,1292 6.304,1293 9.29,1294 8.608,1295 11.114,1297 1.867,1302 22.117,1303 0.278,1305 3.05,1306 6.686,1308 -0.487,1310 -2.667,1314 36.665,1315 83.559,1316 207.545,1317 256.009,1318 280.009,1319 288.009,1320 296.009,1321 56.6,1322 10.465,1323 88.65,1324 88.65,1325 45,1326 13.871,1327 4.7,1328 3.807,1329 36.592,1330 101,1331 91,1332 0.195,1333 208.118,1334 346.74,1335 499.568,1336 536347,1338 22.275,1339 0.675,1340 0.543,1341 22.275,1342 17.923,1343 15.983,1344 0.4,1345 0.282,1346 11.14,1347 15.441,1348 10.929,1349 8.821,1350 15.983,1351 11.287,1352 15.933,1353 0.238,1354 0.144,1355 15.933,1356 9.672,1357 15.77,1358 0.142,1359 0.074,1360 15.77,1361 8.234,1362 15.019,1363 0.083,1364 0.037,1365 15.019,1366 6.732,1367 13.834,1368 0.05,1369 0.019,1370 13.834,1371 5.24,1372 0.28,1373 99.877,1374 0.192,1375 28.323,1376 0.639,1377 214,1378 539.394,1379 233.73,1380 518.616,1381 746.46,1382 490,1383 285,1384 587.334,1385 307.921,1386 590.154,1387 917.05,1388 563,1389 8.62}
{0 CHEMBL2309609,1 1.495,2 10.884,3 5.28,4 27.873,5 161.613,6 7.818,7 0.588,8 4.432,9 4.533,10 4.067,11 4.023,12 5.496,13 4.016,14 5.025,15 5.167,16 4.544,17 4.493,18 6.056,19 4.483,20 5.333,21 5.485,22 4.773,23 4.738,24 6.359,25 4.721,26 5.534,27 5.691,28 4.914,29 4.904,30 6.564,31 4.88,32 5.692,33 5.865,34 4.973,35 5.013,36 6.721,37 4.969,38 5.784,39 5.982,40 4.947,41 5.063,42 6.789,43 4.989,44 5.803,45 6.024,46 4.802,47 5.003,48 6.787,49 4.902,50 5.655,51 5.887,52 4.571,53 4.828,54 6.63,55 4.71,56 0.025,57 1.045,58 13.58,59 6.639,60 11.439,61 8.089,62 0.432,63 1.864,64 28.35,65 11.59,66 33.192,67 14.33,68 0.591,69 2.488,70 40.031,71 16.026,72 47.117,73 19.605,74 0.59,75 3.015,76 49.661,77 19.899,78 68.572,79 24.119,80 0.87,81 3.522,82 59.91,83 23.293,84 83.434,85 28.77,86 0.845,87 3.793,88 68.123,89 27.096,90 96.013,91 34.924,92 0.914,93 3.759,94 73.598,95 28.599,96 122.862,97 37.189,98 0.723,99 3.236,100 64.383,101 24.864,102 97.084,103 32.687,104 27,105 81,106 0.226,107 0.55,108 0.729,109 0.82,110 0.857,111 0.873,112 3.789,113 0.868,114 -4.65,115 -4.57,116 -4.3,119 47.9,120 1,121 1,124 2,125 1,127 2,128 1,131 1,142 13,143 7,152 4,158 2,172 19,174 3,175 14,178 1,180 2,183 20,187 4,188 16,193 2,196 16,199 3,200 22,205 2,208 18,212 3,213 18,216 2,218 2,221 21,224 4,225 25,230 4,233 21,237 1,238 22,241 1,243 4,246 15,250 19,253 1,258 18,263 2,264 10,267 1,272 23,276 2814,277 29.799,278 29.799,279 29.799,280 29.799,281 29.799,282 26.304,283 30.079,284 16.787,285 30.356,286 25.135,287 25.135,288 25.135,289 25.135,290 25.135,291 19.497,292 44.101,293 7.85,294 25.984,295 4.695,296 2.551,297 1.37,298 0.766,299 0.524,300 0.415,301 4.529,306 1,307 1091,308 4.301,311 117.954,312 292.693,313 48.012,315 428.391,316 142.616,317 80.078,318 647.113,319 1.484,320 43.775,323 0.75,324 0.67,325 0.83,326 0.7,327 0.5,328 0.83,329 1,330 0.75,331 92,332 468,333 5.131,334 4.04,335 8.023,336 4.733,337 3.789,338 5.285,339 1.2,340 15.525,341 3.603,342 4.749,343 3.739,344 7.445,345 4.427,346 3.461,347 4.71,348 1.157,349 13.614,350 3.318,351 4.521,352 3.685,353 6.996,354 4.161,355 3.195,356 3.954,357 1.081,358 11.917,359 3.089,360 4.265,361 3.376,362 6.686,363 3.971,364 2.997,365 3.728,366 0.86,367 10.657,368 2.92,369 4.164,370 3.251,371 6.556,372 3.829,373 2.846,374 3.608,375 0.473,376 10.109,377 2.791,378 3.861,379 2.781,380 6.122,381 3.474,382 2.503,383 3.413,384 0.297,385 8.641,386 2.417,387 3.73,388 2.684,389 6.05,390 3.375,391 2.4,392 3.062,393 0.293,394 8.415,395 2.342,396 3.548,397 2.551,398 5.872,399 3.227,400 2.274,401 2.88,403 7.822,404 2.15,405 3.515,406 2.334,407 5.689,408 3.078,409 2.086,410 2.804,412 7.135,413 2.064,414 3.28,415 2.204,416 5.368,417 2.851,418 1.875,419 2.536,421 5.862,422 1.827,423 3.078,424 2.048,425 5.049,426 2.695,427 1.723,428 2.206,430 5.157,431 1.668,432 2.934,433 1.976,434 4.776,435 2.538,436 1.575,437 2.1,439 4.576,440 1.508,441 2.867,442 1.705,443 4.719,444 2.429,445 1.436,446 1.998,448 4.263,449 1.419,450 2.856,451 1.522,452 4.126,453 2.38,454 1.381,455 1.96,457 3.115,458 1.378,459 2.677,460 1.399,461 4.035,462 2.291,463 1.334,464 1.735,466 3.029,467 1.269,468 20.433,469 0.475,470 1.252,471 0.029,472 56.75,473 1.32,474 27,475 0.628,476 29.75,477 0.692,478 48.198,479 1.121,480 43.767,481 0.6,482 54.516,483 1.268,484 11.085,485 0.258,486 9.85,487 0.229,488 0.106,489 0.024,490 0.45,496 0.753,497 1.239,498 0.699,499 0.997,500 0.577,501 0.863,502 0.972,503 0.994,504 0.77,505 0.8,506 0.617,507 0.757,508 1.129,509 1.017,510 0.863,511 0.884,512 0.809,513 0.836,514 1.278,515 1.087,516 0.951,517 0.968,518 1.15,519 0.918,520 1.218,521 1.054,522 1.055,523 1.012,524 0.954,525 1.003,526 0.979,527 1.088,528 1.037,529 1.082,530 0.821,531 1.069,532 1.065,533 1.038,534 1.087,535 1.073,536 1.104,537 1.084,538 1.045,539 1.016,540 1.122,541 1.093,542 1.017,543 1.115,544 6.5,545 0.252,546 5.778,547 5.528,548 4.473,549 3.053,550 2.468,551 1.458,552 0.89,553 0.532,554 26543,555 63347,556 2.243,557 41.1,559 23,560 1,562 1,565 3,566 2,567 1.829,568 2.089,569 3.324,570 -0.438,577 109.126,578 1.495,579 3.639,580 4.82,581 5.424,582 5.666,583 5.775,584 2.751,585 5.101,586 5.395,587 3.484,588 3146.34,589 9.625,590 49138.1,595 451.857,596 1.534,597 5.355,598 0.127,599 0.006,600 0.071,601 0.055,602 0.039,603 0.026,604 0.022,605 0.015,606 0.012,607 0.009,608 0.384,609 0.33,610 0.75,611 0.613,612 234.301,613 -0.021,614 -0.151,615 0.081,616 -0.038,617 -0.053,618 0.023,619 0.058,620 0.098,621 0.112,622 0.141,623 0.011,624 0.134,625 0.013,626 0.047,627 0.054,628 0.064,629 -0.004,630 0.066,631 -0.099,632 -0.041,633 -0.018,634 -0.015,635 -0.088,636 -0.008,637 -0.056,638 -0.008,639 -0.101,640 -0.061,641 -0.031,642 -0.082,643 0.012,644 -0.087,645 -0.067,646 -0.104,647 0.032,648 -0.098,649 -0.039,650 -0.079,651 -0.072,652 -0.078,653 -0.027,654 -0.08,655 -0.071,656 -0.062,657 -0.098,658 -0.095,659 -0.036,660 -0.098,661 2.23,662 6.883,663 0.814,664 41.589,665 1.003,666 1.113,667 3.423,668 11.715,669 0.695,670 3.951,671 4.407,672 4.875,673 5.342,674 5.759,675 6.131,676 6.525,677 6.891,678 7.185,679 7.475,680 6.34,681 0.668,682 570.69,683 3.951,684 5.58,685 6.532,686 7.509,687 8.488,688 9.48,689 10.471,690 11.471,691 12.47,692 13.474,693 5.5,700 2,701 2,708 8,709 13,714 3,715 2,716 30,723 1,724 1,735 73,737 32,738 4,739 51,741 81,742 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 6,785 1,786 8,792 4,797 0.222,798 4,811 2,815 3,816 5,817 1,819 6,820 2,821 1,822 7,842 2,843 2,847 3,851 43,858 2,860 1,861 2,863 3,864 1,865 1,874 5.5,877 2,878 2,881 20.583,882 14.35,883 9.014,884 4.487,886 6.057,887 1.543,888 1.076,889 5.202,890 17.206,891 4.234,892 4.966,893 5.754,894 6.552,895 7.305,896 7.968,897 8.673,898 9.34,899 9.897,900 10.463,901 0.75,902 100,903 16.107,905 7.503,906 7.626,907 31.088,909 28.16,911 2.126,912 91.417,916 341.362,917 193.771,918 24.933,920 72.29,923 193.771,924 413.652,925 24.933,926 28.105,927 25.775,928 123.191,929 81.699,930 23.647,931 20.348,932 329.591,934 341.362,935 218.704,936 72.29,939 306.049,940 85.603,941 22,943 38.399,944 180.305,947 341.362,948 97.223,949 193.771,952 341.362,953 42.475,954 158.218,955 18.011,956 72.29,957 341.362,958 97.223,959 193.771,961 0.602,962 0.387,963 0.237,964 0.141,965 49,966 21,967 0.037,968 3,969 10,970 1.486,971 4.618,972 578.002,973 0.571,974 32,975 227.329,981 25.494,982 8.774,983 3.102,984 8.149,985 93.425,986 25.993,991 2.401,992 4.568,993 18.011,994 632.355,995 68,1000 27.424,1004 -0.107,1007 73.203,1008 81.228,1009 0.242,1010 0.588,1011 0.779,1012 0.876,1013 0.915,1014 0.933,1015 5.551,1016 2.274,1017 6.583,1018 8.415,1019 5.094,1020 5.656,1021 2.398,1022 7.595,1023 5.028,1024 6.818,1025 2.086,1026 8.263,1027 7.822,1028 4.934,1029 5.712,1030 0.325,1031 8.936,1032 4.821,1033 8.196,1034 1.875,1035 10.052,1036 7.135,1037 6.891,1038 8.054,1039 2.49,1040 12.174,1041 6.748,1042 9.616,1043 1.723,1044 11.907,1045 5.862,1046 7.586,1047 8.993,1048 0.653,1049 14.362,1050 7.385,1051 11.075,1052 1.575,1053 13.806,1054 5.157,1055 9.055,1056 10.847,1057 2.676,1058 17.185,1059 8.823,1060 12.563,1061 1.436,1062 15.736,1063 4.576,1064 10.105,1065 12.183,1066 1.001,1067 19.696,1068 9.813,1069 14.073,1070 1.381,1071 17.688,1072 4.263,1073 11.427,1074 13.876,1075 2.896,1076 22.418,1077 11.095,1078 3.789,1079 1.334,1080 19.658,1081 3.115,1082 12.619,1083 15.388,1084 1.37,1085 25.051,1086 12.23,1087 3.461,1088 15.525,1089 21.642,1090 3.029,1091 13.905,1092 17.034,1093 3.137,1094 27.756,1095 13.47,1096 3.195,1097 13.614,1098 23.639,1099 5.285,1100 15.157,1101 18.621,1102 1.754,1103 30.439,1104 14.666,1105 2.997,1106 11.917,1107 25.646,1108 4.71,1109 16.441,1110 20.258,1111 3.394,1112 33.148,1113 15.901,1114 2.846,1115 10.657,1116 27.662,1117 3.954,1118 17.719,1119 21.879,1120 2.143,1121 35.854,1122 17.125,1123 2.503,1124 10.109,1125 29.686,1126 3.728,1127 19.011,1128 23.519,1129 3.662,1130 38.57,1131 18.365,1132 2.4,1133 8.641,1134 31.717,1135 3.608,1136 20.304,1137 25.156,1138 2.535,1139 41.288,1140 19.604,1141 23670,1142 36698,1143 34.737,1144 50.739,1145 81.873,1146 83.792,1147 85.013,1148 81.12,1149 81.073,1150 106.902,1151 10.722,1152 267.411,1153 78.481,1154 6.131,1155 6.04,1156 7.825,1157 5.865,1158 5.789,1159 8.285,1160 2.357,1161 24.412,1162 5.603,1163 18.973,1164 1.605,1165 1.643,1166 1.667,1167 1.591,1168 1.59,1169 2.096,1170 0.21,1171 5.243,1172 1.539,1173 4.367,1174 4.39,1175 4.352,1176 4.287,1177 7.431,1178 4.3,1179 4.019,1180 4.046,1181 3.986,1182 3.953,1183 7.426,1184 3.957,1185 3.943,1186 3.972,1187 3.885,1188 3.858,1189 5.093,1190 3.858,1191 3.829,1192 3.86,1193 3.762,1194 3.687,1195 4.812,1196 3.7,1197 3.725,1198 3.762,1199 3.657,1200 3.623,1201 4.73,1202 3.624,1203 3.508,1204 3.564,1205 3.429,1206 3.322,1207 4.687,1208 3.343,1209 3.411,1210 3.467,1211 3.307,1212 3.234,1213 4.465,1214 3.24,1215 3.319,1216 3.375,1217 3.228,1218 3.132,1219 4.409,1220 3.151,1221 0.101,1222 0.079,1223 0.157,1224 0.093,1225 0.074,1226 5.131,1227 0.104,1228 4.04,1229 0.024,1230 8.023,1231 0.304,1232 4.733,1233 0.071,1234 3.789,1235 5.285,1236 1.2,1237 15.525,1238 3.603,1239 2.036,1240 2.028,1241 2.08,1242 2.095,1243 1.377,1244 2.081,1245 1.958,1246 1.932,1247 2.057,1248 2.068,1249 1.349,1250 2.07,1251 1.907,1252 1.882,1253 2.019,1254 2.019,1255 1.166,1256 2.005,1257 1.889,1258 1.856,1259 1.954,1260 1.999,1261 1.141,1262 2.003,1263 1.78,1264 1.746,1265 1.934,1266 1.918,1267 1.072,1268 1.927,1269 1.41,1270 1.353,1271 1.668,1272 1.667,1273 0.846,1274 1.658,1275 1.382,1276 1.32,1277 1.603,1278 1.642,1279 0.769,1280 1.632,1281 1.316,1282 1.269,1283 1.577,1284 1.55,1285 0.684,1286 1.553,1287 4.635,1289 6.057,1290 3.434,1291 7.692,1292 6.009,1293 9.429,1294 8.32,1295 11.225,1297 5.66,1303 0.99,1305 3.126,1306 13.578,1308 -1.211,1309 1.826,1310 -0.98,1314 48.793,1315 109.126,1316 265.646,1317 351.835,1318 395.941,1319 413.593,1320 421.593,1321 73.798,1322 11.149,1323 77.73,1324 77.73,1325 52,1326 13.932,1327 5.044,1328 4.17,1329 49.806,1330 172,1331 204,1332 0.153,1333 282.14,1334 479.62,1335 680.183,1336 1253820,1338 29.198,1339 0.679,1340 0.561,1341 29.198,1342 24.126,1343 20.936,1344 0.411,1345 0.289,1346 14.559,1347 20.216,1348 14.193,1349 11.597,1350 20.936,1351 14.758,1352 19.933,1353 0.246,1354 0.149,1355 19.933,1356 12.092,1357 19.217,1358 0.148,1359 0.077,1360 19.217,1361 10.036,1362 18.325,1363 0.088,1364 0.04,1365 18.325,1366 8.327,1367 16.612,1368 0.053,1369 0.02,1370 16.612,1371 6.453,1372 0.226,1373 130.7,1374 0.17,1375 35.915,1376 0.471,1377 264,1378 674.21,1379 287.03,1380 648.608,1381 928.49,1382 614,1383 343,1384 721.878,1385 369.693,1386 729.588,1387 1117.2,1388 692,1389 6.658}
{0 CHEMBL231209,1 1.748,2 11.852,3 3.751,4 14.066,5 105.985,6 9.011,7 0.733,8 3.867,9 3.973,10 3.631,11 3.514,12 5.115,13 3.489,14 4.311,15 4.429,16 4.002,17 3.896,18 5.607,19 3.846,20 4.547,21 4.717,22 4.004,23 3.968,24 5.758,25 3.906,26 4.557,27 4.74,28 4.011,29 3.916,30 5.809,31 3.839,32 4.532,33 4.731,34 3.777,35 3.808,36 5.756,37 3.715,38 4.373,39 4.58,40 3.643,41 3.643,42 5.727,43 3.566,44 4.226,45 4.44,46 3.435,47 3.533,48 5.32,49 3.445,50 4.155,51 4.377,52 3.409,53 3.447,54 5.293,55 3.349,56 0.087,57 0.693,58 6.163,59 3.456,60 10.551,61 3.629,62 0.218,63 1.083,64 11.359,65 6.082,66 17.653,67 6.702,68 0.323,69 1.345,70 17.59,71 7.677,72 43.505,73 8.051,74 0.31,75 1.344,76 19.597,77 8.107,78 31.747,79 9.28,80 0.398,81 1.232,82 23.318,83 8.574,84 56.922,85 8.814,86 0.474,87 1.049,88 18.347,89 6.784,90 73.07,91 7.67,92 0.23,93 0.904,94 13.698,95 5.621,96 32.083,97 6.89,98 0.182,99 0.839,100 14.41,101 6.081,102 20.552,103 7.611,104 10,105 42,106 0.3,107 0.596,108 0.748,109 0.856,110 0.875,111 0.884,112 3.339,113 0.904,114 -4.8,115 -4.71,116 -4.42,119 47.6,142 9,143 3,144 3,145 1,147 1,151 1,152 1,159 1,163 1,164 1,165 1,172 8,175 2,177 1,178 3,179 1,180 5,183 14,185 1,188 1,193 4,196 9,198 1,200 6,205 9,208 5,210 3,213 5,218 6,221 4,223 2,225 4,230 5,233 6,235 2,238 1,243 2,246 6,250 1,253 1,254 1,255 2,257 1,258 6,264 1,269 1,272 5,276 1035,277 18.309,278 18.309,279 18.309,280 18.309,281 18.309,282 15.515,283 16.513,284 10.791,285 18.73,286 14.831,287 14.831,288 14.831,289 14.831,290 14.831,291 10.69,292 22.779,293 5.145,294 15.525,295 3.644,296 1.919,297 1.031,298 0.399,299 0.286,300 0.238,301 4.038,304 1,305 1,306 1,307 703,308 3,311 62.79,312 262.4,315 118.128,319 1.953,320 27.559,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 58.5,332 320,333 4.666,334 3.563,335 6.884,336 4.198,337 3.229,338 4.626,339 1.656,340 11.489,341 3.131,342 4.1,343 3.244,344 5.857,345 3.71,346 2.745,347 3.686,348 0.247,349 8.081,350 2.641,351 4.033,352 2.946,353 5.617,354 3.597,355 2.625,356 3.648,358 7.758,359 2.545,360 3.733,361 2.656,362 5.391,363 3.358,364 2.391,365 3.078,367 7.082,368 2.303,369 3.468,370 2.347,371 5.034,372 3.054,373 2.095,374 2.81,376 5.716,377 2.001,378 3.416,379 2.279,380 4.901,381 2.881,382 1.99,383 2.741,385 5.674,386 1.759,387 3.165,388 2.058,389 4.542,390 2.716,391 1.743,392 2.381,394 4.688,395 1.672,396 2.977,397 1.539,398 4.38,399 2.469,400 1.493,401 2.182,403 4.009,404 1.45,405 2.658,406 1.275,407 3.81,408 2.172,409 1.182,410 1.729,412 2.689,413 1.166,414 2.553,415 1.088,416 3.479,417 2.006,418 1.064,419 1.577,421 2.585,422 1,423 2.5,424 1,425 3.414,426 2,427 1,428 1.5,430 2.275,431 0.993,432 2.187,433 0.807,434 3.313,435 1.582,436 0.744,437 1.053,439 1.81,440 0.607,441 1.322,442 0.625,443 2.949,444 1.018,445 0.072,446 0.085,448 0.194,449 0.067,450 1.182,451 0.284,452 2.508,453 0.763,454 -0.233,455 -0.304,457 -0.562,458 -0.227,459 1.042,460 0.185,461 2.365,462 0.603,463 -0.335,464 -0.442,466 -0.77,467 -0.312,468 13.052,469 0.483,470 0.661,471 0.024,472 40.25,473 1.491,474 23,475 0.852,476 17.25,477 0.639,478 17.665,479 0.654,480 27.148,481 0.646,482 28.9,483 1.07,484 8.008,485 0.297,486 5.09,487 0.189,488 0.078,490 0.345,494 1,496 0.72,497 0.88,498 0.689,499 0.726,500 0.632,501 0.708,502 0.511,503 0.937,504 0.845,505 0.971,506 0.513,507 0.939,508 1.129,509 1.003,510 1.019,511 0.927,512 1.033,513 0.983,514 0.783,515 1.076,516 0.952,517 1.142,518 0.768,519 1.095,520 1.267,521 0.957,522 1.346,523 1.137,524 1.277,525 1.091,526 0.829,527 0.791,528 1.01,529 0.922,530 0.839,531 0.974,532 0.817,533 0.907,534 0.835,535 0.916,536 0.813,537 1.068,538 0.573,539 0.933,540 0.789,541 1.027,542 0.597,543 1.032,544 5.5,545 0.091,546 2.667,547 2.063,548 1.468,549 0.723,550 0.406,551 0.305,552 0.193,553 0.208,554 10041,555 32046,556 2.12,557 35.7,559 9,560 1,561 1,562 4,567 1.694,568 2,569 3.514,570 1.698,572 1,577 73.435,578 1.748,579 3.474,580 4.362,581 4.993,582 5.107,583 5.154,584 2.94,585 4.607,586 4.728,587 3.718,588 1304.95,589 8.171,590 17354.7,591 1,592 1,594 1,595 226.477,596 1.352,597 4.694,598 0.183,599 0.005,600 0.063,601 0.05,602 0.039,603 0.023,604 0.015,605 0.013,606 0.009,607 0.01,608 0.411,609 0.17,610 1,611 0.528,612 136.072,613 -0.11,614 0.065,615 0.02,616 0.13,617 -0.111,618 0.101,619 0.161,620 0.008,621 -0.018,622 -0.041,623 0.087,624 -0.076,625 -0.196,626 -0.012,627 -0.13,628 0.001,629 -0.142,630 -0.069,631 0.05,632 -0.163,633 0.037,634 -0.158,635 0.045,636 -0.121,637 -0.215,638 -0.049,639 -0.224,640 -0.084,641 -0.155,642 -0.088,643 0.138,644 0.074,645 -0.04,646 0.028,647 0.169,648 0.02,649 -0.069,650 -0.052,651 -0.023,652 -0.045,653 -0.106,654 -0.063,655 0.163,656 -0.101,657 0.16,658 -0.057,659 0.123,660 0.045,661 2.109,662 5.179,663 0.778,664 26.123,665 1.015,666 1.118,667 3.565,668 12.71,669 0.729,670 3.434,671 3.761,672 4.025,673 4.317,674 4.489,675 4.522,676 4.605,677 4.762,678 4.762,679 4.828,680 7.122,681 0.703,682 378.46,683 3.434,684 4.977,685 5.826,686 6.708,687 7.572,688 8.459,689 9.33,690 10.22,691 11.096,692 11.989,693 9.5,697 1,700 2,703 1,708 2,709 11,710 1,713 1,714 6,716 22,727 1,734 1,735 42,737 23,738 2,739 30,741 45,742 20,743 19,744 4,745 8,748 4,749 5,753 1,762 20,767 1,772 1,776 1,780 1,781 1,783 15,784 6,785 4,786 7,787 1,792 4,797 0.75,798 1,809 1,815 1,816 3,819 1,843 3,845 1,849 1,851 27,852 1,860 2,869 1,873 1,874 2.4,877 1,881 13.5,882 7.426,883 5.861,884 2.263,886 4.106,887 1.541,888 1.053,889 4.84,890 11.695,891 3.761,892 4.41,893 5.02,894 5.664,895 6.181,896 6.463,897 6.868,898 7.339,899 7.561,900 7.903,901 0.875,902 41,903 9.941,905 4.304,906 7.938,907 18.562,909 15.241,911 2.438,912 65.833,915 1,916 129.482,917 164.189,918 85.704,920 25.145,921 14.96,922 31.278,923 132.911,924 154.627,925 100.664,927 36.022,928 125.832,929 53.702,930 32.626,931 34.081,932 137.218,934 129.482,935 218.615,936 40.105,937 31.278,939 144.442,940 25.145,943 45.069,944 156.761,945 16.786,946 31.278,947 144.442,948 110.849,949 164.189,952 129.482,953 62.206,954 101.983,955 36.022,956 89.788,957 129.482,958 125.809,959 164.189,961 0.583,962 0.336,963 0.189,964 0.098,965 21,966 9,967 0.067,968 3,969 1,970 1.095,971 3.994,972 227.926,973 0.095,974 21,975 124.382,977 1,981 17.588,982 7.43,983 3.82,984 2.015,985 125.809,986 18.819,987 4.161,990 1.61,991 3.095,993 68.919,994 419.48,995 42,1000 12.058,1004 -0.442,1007 42.625,1008 46.954,1009 0.324,1010 0.644,1011 0.809,1012 0.926,1013 0.947,1014 0.956,1015 4.98,1016 1.493,1017 5.808,1018 4.688,1019 4.443,1020 5.097,1021 1.758,1022 6.611,1023 4.357,1024 6.205,1025 1.182,1026 7.357,1027 4.009,1028 4.007,1029 4.902,1030 1.195,1031 7.489,1032 3.89,1033 7.517,1034 1.064,1035 9.004,1036 2.689,1037 6.023,1038 7.352,1039 2.415,1040 10.607,1041 5.87,1042 8.865,1043 1,1044 10.712,1045 2.585,1046 6.399,1047 7.999,1048 2.324,1049 12.381,1050 6.213,1051 10.244,1052 0.744,1053 12.461,1054 2.275,1055 7.888,1056 9.914,1057 3.244,1058 15.029,1059 7.676,1060 11.647,1061 0.072,1062 14.241,1063 1.81,1064 8.658,1065 10.992,1066 3.407,1067 17.197,1068 8.414,1069 13.07,1070 -0.233,1071 16.046,1072 0.194,1073 9.932,1074 12.675,1075 4.156,1076 19.697,1077 9.664,1078 3.229,1079 -0.335,1080 17.872,1081 -0.562,1082 10.899,1083 13.979,1084 4.464,1085 22.031,1086 10.599,1087 2.745,1088 11.489,1089 19.715,1090 -0.77,1091 12.088,1092 15.563,1093 5.111,1094 24.486,1095 11.762,1096 2.625,1097 8.081,1098 21.572,1099 4.626,1100 13.153,1101 16.981,1102 5.504,1103 26.885,1104 12.795,1105 2.391,1106 7.758,1107 23.442,1108 3.686,1109 14.313,1110 18.526,1111 6.091,1112 29.329,1113 13.929,1114 2.095,1115 7.082,1116 25.321,1117 3.648,1118 15.425,1119 20,1120 6.531,1121 31.753,1122 15.01,1123 1.99,1124 5.716,1125 27.209,1126 3.078,1127 16.579,1128 21.531,1129 7.083,1130 34.194,1131 16.136,1132 1.743,1133 5.674,1134 29.104,1135 2.81,1136 17.716,1137 23.033,1138 7.551,1139 36.628,1140 17.242,1141 9415,1142 16947,1143 20.285,1144 30.631,1145 45.308,1146 45.908,1147 46.346,1148 44.735,1149 44.744,1150 62.193,1151 3.806,1152 128.101,1153 42.671,1154 5.533,1155 5.563,1156 6.441,1157 5.293,1158 5.229,1159 7.626,1160 2.912,1161 18.662,1162 5.131,1163 11.774,1164 1.51,1165 1.53,1166 1.545,1167 1.491,1168 1.491,1169 2.073,1170 0.127,1171 4.27,1172 1.422,1173 4.105,1174 4.118,1175 4.33,1176 4.112,1177 8.201,1178 4.069,1179 3.921,1180 3.953,1181 3.884,1182 3.83,1183 7.431,1184 3.832,1185 3.835,1186 3.866,1187 3.802,1188 3.773,1189 5.189,1190 3.763,1191 3.434,1192 3.478,1193 3.453,1194 3.226,1195 4.781,1196 3.238,1197 3.268,1198 3.311,1199 3.377,1200 3.101,1201 4.663,1202 3.112,1203 3.068,1204 3.161,1205 3.011,1206 2.903,1207 4.611,1208 2.882,1209 2.907,1210 2.965,1211 2.842,1212 2.735,1213 4.251,1214 2.737,1215 2.868,1216 2.939,1217 2.757,1218 2.733,1219 3.963,1220 2.717,1221 0.156,1222 0.119,1223 0.229,1224 0.14,1225 0.108,1226 4.666,1227 0.154,1228 3.563,1229 0.055,1230 6.884,1231 0.383,1232 4.198,1233 0.104,1234 3.229,1235 4.626,1236 1.656,1237 11.489,1238 3.131,1239 1.957,1240 1.935,1241 2.036,1242 2.043,1243 1.17,1244 2.041,1245 1.877,1246 1.849,1247 1.979,1248 1.989,1249 1.047,1250 1.986,1251 1.808,1252 1.785,1253 1.868,1254 1.913,1255 0.989,1256 1.914,1257 1.407,1258 1.394,1259 1.457,1260 1.595,1261 0.64,1262 1.562,1263 1.216,1264 1.177,1265 1.337,1266 1.393,1267 0.308,1268 1.423,1269 0.916,1270 0.839,1271 1.209,1272 1.248,1273 0.218,1274 1.252,1275 0.886,1276 0.821,1277 1.181,1278 1.069,1279 0.159,1280 1.107,1281 0.866,1282 0.814,1283 1.111,1284 1.062,1285 0.132,1286 1.083,1287 4.111,1289 5.434,1290 2.398,1291 6.946,1292 4.727,1293 8.547,1294 6.862,1295 10.193,1299 13.179,1301 6.022,1305 5.316,1314 29.532,1315 73.435,1316 145.894,1317 183.193,1318 209.722,1319 214.477,1320 216.477,1321 43.873,1322 7.589,1323 80.04,1324 108.28,1325 23,1326 12.519,1327 4.585,1328 3.7,1329 40.549,1330 119,1331 99,1332 0.169,1333 184.345,1334 309.85,1335 441.561,1336 22050,1337 2.4,1338 18.803,1339 0.696,1340 0.551,1341 18.286,1342 14.886,1343 13.097,1344 0.437,1345 0.301,1346 8.136,1347 12.208,1348 7.908,1349 6.546,1350 13.158,1351 9.036,1352 11.982,1353 0.285,1354 0.162,1355 11.899,1356 6.797,1357 9.814,1358 0.178,1359 0.091,1360 10.168,1361 4.999,1362 8.669,1363 0.117,1364 0.051,1365 9.18,1366 3.785,1367 6.625,1368 0.075,1369 0.028,1370 7.248,1371 2.453,1372 0.272,1373 86.128,1374 0.222,1375 26.359,1376 0.444,1377 144,1378 472.33,1379 179.404,1380 461.775,1381 624.84,1382 430,1383 169,1384 443.187,1385 199.943,1386 460.874,1387 670.87,1388 434,1389 5.6}
{0 CHEMBL2312649,1 1.597,2 11.914,3 4.417,4 19.513,5 144.609,6 7.437,7 0.316,8 4.329,9 4.471,10 3.889,11 3.825,12 5.312,13 3.785,14 4.923,15 5.137,16 4.28,17 4.254,18 5.865,19 4.182,20 5.235,21 5.474,22 4.337,23 4.447,24 6.113,25 4.329,26 5.357,27 5.644,28 4.401,29 4.423,30 6.282,31 4.274,32 5.244,33 5.53,34 4.168,35 4.321,36 6.112,37 4.194,38 5.093,39 5.332,40 4.32,41 4.263,42 6.133,43 4.187,44 5.114,45 5.353,46 4.275,47 4.282,48 6.121,49 4.207,50 5.14,51 5.383,52 4.269,53 4.306,54 6.119,55 4.211,56 0.032,57 1.057,58 15.536,59 5.972,60 9.896,61 8.808,62 0.374,63 1.676,64 31.959,65 10.35,66 33.175,67 15.481,68 0.381,69 2.058,70 48.3,71 14.344,72 46.453,73 21.551,74 0.904,75 2.075,76 59.692,77 16.236,78 88.076,79 24.46,80 0.573,81 1.867,82 51.222,83 14.194,84 66.755,85 21.402,86 0.641,87 1.78,88 40.96,89 11.063,90 69.822,91 17.322,92 0.541,93 1.835,94 40.504,95 10.434,96 60.463,97 16.416,98 0.67,99 1.815,100 44.489,101 11.918,102 72.485,103 18.029,104 38,105 53,106 0.253,107 0.542,108 0.703,109 0.759,110 0.786,111 0.792,112 3.588,113 1.03,114 -5,115 -4.9,116 -4.59,119 35.7,121 6,124 3,125 2,127 3,142 3,143 1,144 3,145 1,147 1,150 1,158 1,172 2,174 1,175 7,178 4,180 8,183 10,188 2,193 2,196 2,199 2,200 8,203 5,204 2,205 4,208 7,213 2,216 1,221 2,224 1,225 15,228 1,229 1,230 8,233 2,237 1,238 5,243 4,249 2,250 2,253 1,255 7,258 11,263 2,267 2,272 8,276 2802,277 23.135,278 23.135,279 23.135,280 23.135,281 23.135,282 21.518,283 42.729,284 13.563,285 23.899,286 18.772,287 18.772,288 18.772,289 18.772,290 18.772,291 16.247,292 75.663,293 6.518,294 20.083,295 4.532,296 2.702,297 1.683,298 1.333,299 1.161,300 1.122,301 4.28,302 2,306 1,307 886,308 3.742,312 507.632,319 1.869,320 33.591,323 0.75,324 0.83,325 0.83,326 0.9,327 1,328 0.83,329 1,330 0.88,331 75.167,332 417,333 4.391,334 3.606,335 6.483,336 4.022,337 3.054,338 4.025,339 1.058,340 10.107,341 2.964,342 4.169,343 3.161,344 5.929,345 3.737,346 2.793,347 3.808,348 0.8,349 8.23,350 2.665,351 3.79,352 3.004,353 5.734,354 3.721,355 2.774,356 3.093,357 0.8,358 8.145,359 2.576,360 3.764,361 2.886,362 5.527,363 3.571,364 2.622,365 2.793,366 0.4,367 7.455,368 2.487,369 3.58,370 2.793,371 5.334,372 3.315,373 2.37,374 2.66,375 0.4,376 6.852,377 2.245,378 3.418,379 2.623,380 5.298,381 3.275,382 2.353,383 2.495,385 6.83,386 2.135,387 3.246,388 2.611,389 4.957,390 3.01,391 2.085,392 2.481,394 5.813,395 1.914,396 3.232,397 2.332,398 4.793,399 2.786,400 1.879,401 2.426,403 5.319,404 1.694,405 3.098,406 2.257,407 4.633,408 2.707,409 1.847,410 2.163,412 4.963,413 1.538,414 2.928,415 1.917,416 4.618,417 2.598,418 1.651,419 1.978,421 4.721,422 1.441,423 2.637,424 1.521,425 3.899,426 2.196,427 1.239,428 1.632,430 3.045,431 1.18,432 2.248,433 1.335,434 3.764,435 2.109,436 1.153,437 1.245,439 2.87,440 1.095,441 2,442 1.077,443 3.414,444 2,445 1,446 1,448 2.275,449 1,450 2,451 1,452 3.414,453 1.984,454 1,455 1,457 2.275,458 0.983,459 1.442,460 0.646,461 3.059,462 1.168,463 0.232,464 0.258,466 0.602,467 0.216,468 17.062,469 0.487,470 0.996,471 0.028,472 38.25,473 1.093,474 14.5,475 0.414,476 23.75,477 0.679,478 39.63,479 1.132,480 39.938,481 0.571,482 30.238,483 0.864,484 6.962,485 0.199,486 9.8,487 0.28,488 0.191,490 0.34,496 0.787,497 1.65,498 0.671,499 1.127,500 0.592,501 1.047,502 0.823,503 1.097,504 0.713,505 0.876,506 0.472,507 0.912,508 1.026,509 1.286,510 0.956,511 1.115,512 0.846,513 1.106,514 0.632,515 0.883,516 0.612,517 0.848,518 0.742,519 0.883,520 1.079,521 0.892,522 0.765,523 0.784,524 1.355,525 0.787,526 0.973,527 1.178,528 0.671,529 0.927,530 1.355,531 0.908,532 1.524,533 1.089,534 0.842,535 0.816,536 1.643,537 0.912,538 1.326,539 0.955,540 0.889,541 0.872,542 1.611,543 0.93,544 9,545 0.305,546 3.333,547 2.625,548 1.871,549 1.368,550 0.705,551 0.696,552 0.521,553 0.42,554 17830,555 44601,556 2.041,557 50,559 19,561 1,562 3,564 8,565 4,567 1.774,568 1.892,569 3.531,570 0.848,577 111.777,578 1.597,579 3.427,580 4.446,581 4.797,582 4.968,583 5.007,584 2.948,585 4.672,586 5.095,587 3.78,588 2249.21,589 8.987,590 36180.7,595 429.05,596 1.472,597 5.05,598 0.237,599 0.006,600 0.063,601 0.05,602 0.038,603 0.029,604 0.014,605 0.014,606 0.011,607 0.009,608 0.47,609 0.17,610 0.88,611 0.729,612 189.502,613 -0.046,614 -0.293,615 0.026,616 -0.077,617 -0.013,618 -0.016,619 0.054,620 0.106,621 0.055,622 0.089,623 0.167,624 0.062,625 -0.12,626 -0.203,627 -0.085,628 -0.137,629 -0.033,630 -0.123,631 0.294,632 0.069,633 0.202,634 0.071,635 0.238,636 0.073,637 -0.063,638 0.046,639 0.075,640 0.141,641 -0.101,642 0.169,643 0.152,644 -0.1,645 0.106,646 -0.008,647 0.044,648 0.033,649 -0.268,650 0.039,651 -0.06,652 0.058,653 -0.213,654 -0.012,655 -0.108,656 0.113,657 -0.035,658 0.05,659 -0.133,660 0.005,661 1.804,662 6.251,663 0.686,664 42.859,665 0.999,666 1.14,667 3.766,668 14.185,669 0.652,670 3.664,671 3.989,672 4.19,673 4.431,674 4.644,675 4.727,676 4.787,677 4.977,678 5.124,679 5.268,680 7.699,681 0.606,682 520.57,683 3.664,684 5.209,685 6.038,686 6.907,687 7.749,688 8.62,689 9.468,690 10.342,691 11.194,692 12.069,693 10,696 2,698 1,700 1,701 1,703 2,709 4,710 2,714 6,716 12,723 1,728 2,734 2,735 70,737 13,738 1,739 38,741 73,742 25,743 10,744 3,745 3,746 1,748 4,749 4,750 2,757 9,760 9,762 11,763 14,767 1,772 1,776 1,783 35,784 8,785 3,786 10,787 2,792 7,797 1,798 1,810 1,816 4,839 2,843 4,847 3,848 2,851 35,858 8,860 3,863 3,864 2,873 2,874 1.4,877 1,881 18.5,882 13.086,883 7.583,884 4.321,886 2.119,887 1.271,888 0.955,889 9.111,890 9.949,891 3.829,892 4.344,893 4.779,894 5.279,895 5.732,896 5.952,897 6.16,898 6.587,899 6.93,900 7.312,901 0.875,902 53,903 13.008,905 5.49,906 7.625,907 25.333,909 21.072,911 2.125,912 74.389,916 376.675,917 103.959,918 93.852,919 78.297,920 25.145,923 103.959,924 480.117,925 93.852,926 25.189,927 37.429,928 28.429,929 93.202,930 46.25,931 4.227,932 364.904,933 78.297,934 376.675,935 197.811,936 25.145,937 78.297,939 235.422,940 166.398,943 72.635,944 73.594,945 129.879,947 376.675,948 118.997,949 182.256,952 376.675,953 41.294,954 68.914,955 54.032,956 137.013,957 376.675,958 118.997,959 182.256,961 0.587,962 0.325,963 0.169,964 0.092,965 24,966 12,967 0.096,968 7,970 1,971 4.52,972 324.884,974 24,975 163.525,981 26.427,982 12.067,983 7.432,985 118.997,986 6.78,987 9.127,991 3.116,993 54.032,994 677.929,995 45,1000 13.251,1004 -0.138,1007 69.941,1008 79.814,1009 0.261,1010 0.559,1011 0.725,1012 0.783,1013 0.811,1014 0.817,1015 5.094,1016 1.879,1017 6.028,1018 5.813,1019 4.673,1020 5.03,1021 1.758,1022 6.795,1023 4.546,1024 6.262,1025 1.847,1026 7.563,1027 5.319,1028 4.29,1029 4.82,1030 0.57,1031 7.567,1032 4.058,1033 7.544,1034 1.651,1035 9.186,1036 4.963,1037 6.236,1038 7.06,1039 1.511,1040 10.61,1041 6.009,1042 8.847,1043 1.239,1044 10.859,1045 4.721,1046 6.581,1047 7.596,1048 0.479,1049 12.155,1050 6.275,1051 10.18,1052 1.153,1053 12.563,1054 3.045,1055 8.036,1056 9.395,1057 1.474,1058 14.723,1059 7.725,1060 11.531,1061 1,1062 14.289,1063 2.87,1064 8.731,1065 10.306,1066 0.346,1067 16.639,1068 8.361,1069 12.898,1070 1,1071 16.032,1072 2.275,1073 9.973,1074 11.91,1075 1.501,1076 19.027,1077 9.588,1078 3.054,1079 0.232,1080 17.79,1081 2.275,1082 10.85,1083 13.026,1084 0.237,1085 21.134,1086 10.42,1087 2.793,1088 10.107,1089 19.56,1090 0.602,1091 11.995,1092 14.531,1093 1.556,1094 23.455,1095 11.545,1096 2.774,1097 8.23,1098 21.34,1099 4.025,1100 12.969,1101 15.76,1102 0.158,1103 25.659,1104 12.481,1105 2.622,1106 8.145,1107 23.129,1108 3.808,1109 14.072,1110 17.209,1111 1.626,1112 27.96,1113 13.561,1114 2.37,1115 7.455,1116 24.926,1117 3.093,1118 15.097,1119 18.502,1120 0.104,1121 30.214,1122 14.554,1123 2.353,1124 6.852,1125 26.731,1126 2.793,1127 16.185,1128 19.921,1129 1.706,1130 32.512,1131 15.618,1132 2.085,1133 6.83,1134 28.543,1135 2.66,1136 17.238,1137 21.25,1138 0.068,1139 34.792,1140 16.642,1141 17171,1142 27554,1143 24.967,1144 45.631,1145 56.476,1146 57.679,1147 58.377,1148 56.649,1149 56.201,1150 66.221,1151 6.917,1152 159.261,1153 52.354,1154 5.391,1155 5.606,1156 5.897,1157 5.096,1158 5.054,1159 7.025,1160 2.117,1161 16.951,1162 4.964,1163 20.093,1164 1.486,1165 1.518,1166 1.536,1167 1.491,1168 1.479,1169 1.743,1170 0.182,1171 4.191,1172 1.378,1173 4.004,1174 4.055,1175 4.095,1176 3.883,1177 7.429,1178 3.886,1179 3.89,1180 3.933,1181 3.907,1182 3.797,1183 5.056,1184 3.796,1185 3.862,1186 3.923,1187 3.744,1188 3.712,1189 4.942,1190 3.712,1191 3.787,1192 3.833,1193 3.71,1194 3.633,1195 4.632,1196 3.646,1197 3.483,1198 3.576,1199 3.582,1200 3.25,1201 4.42,1202 3.255,1203 3.377,1204 3.456,1205 3.34,1206 3.102,1207 4.38,1208 3.136,1209 3.168,1210 3.24,1211 3.326,1212 2.957,1213 4.233,1214 2.964,1215 3.111,1216 3.206,1217 3.138,1218 2.941,1219 4.149,1220 2.91,1221 0.116,1222 0.095,1223 0.171,1224 0.106,1225 0.08,1226 4.391,1227 0.106,1228 3.606,1229 0.028,1230 6.483,1231 0.266,1232 4.022,1233 0.078,1234 3.054,1235 4.025,1236 1.058,1237 10.107,1238 2.964,1239 1.91,1240 1.872,1241 2.094,1242 2.081,1243 1.487,1244 2.082,1245 1.874,1246 1.837,1247 2.045,1248 2.033,1249 1.399,1250 2.043,1251 1.839,1252 1.781,1253 1.935,1254 1.986,1255 1.06,1256 1.983,1257 1.728,1258 1.684,1259 1.811,1260 1.882,1261 0.946,1262 1.875,1263 1.45,1264 1.358,1265 1.738,1266 1.713,1267 0.83,1268 1.729,1269 1.291,1270 1.203,1271 1.599,1272 1.586,1273 0.825,1274 1.586,1275 1.153,1276 1.064,1277 1.513,1278 1.376,1279 0.825,1280 1.429,1281 1.153,1282 1.064,1283 1.513,1284 1.376,1285 0.733,1286 1.429,1287 4.344,1289 5.666,1291 7.166,1293 8.747,1295 10.367,1297 6.375,1298 12.284,1303 8.105,1305 9.907,1308 1.008,1309 4.574,1314 42.422,1315 111.777,1316 239.915,1317 311.236,1318 335.766,1319 347.766,1320 350.52,1321 73.595,1322 7.83,1323 85.42,1324 85.42,1325 24,1326 12.613,1327 3.807,1328 3,1329 59.073,1330 150,1331 178,1332 0.176,1333 268.736,1334 467.55,1335 647.475,1336 27002,1337 2.9,1338 24.949,1339 0.713,1340 0.633,1341 25.949,1342 22.163,1343 16.762,1344 0.441,1345 0.343,1346 12.178,1347 15.533,1348 11.756,1349 9.758,1350 17.339,1351 13.047,1352 15.722,1353 0.297,1354 0.203,1355 16.538,1356 10.776,1357 12.134,1358 0.187,1359 0.114,1360 12.606,1361 7.41,1362 10.181,1363 0.123,1364 0.064,1365 10.975,1366 5.345,1367 7.822,1368 0.076,1369 0.035,1370 8.111,1371 3.64,1372 0.276,1373 111.029,1374 0.2,1375 32.253,1376 0.487,1377 182,1378 481.721,1379 228.908,1380 529.111,1381 699.38,1382 492,1383 209,1384 465.362,1385 244.998,1386 494.303,1387 716.42,1388 461,1389 4.523}
{0 CHEMBL2312652,1 1.777,2 11.563,3 2.324,4 5.399,5 124.907,6 8.301,7 0.343,8 4.177,9 4.299,10 3.821,11 3.655,12 5.257,13 3.65,14 4.75,15 4.926,16 4.221,17 4.075,18 5.824,19 4.042,20 5.041,21 5.256,22 4.253,23 4.214,24 6.101,25 4.132,26 5.077,27 5.341,28 4.306,29 4.14,30 6.158,31 4.044,32 4.908,33 5.145,34 4.117,35 4.054,36 5.984,37 3.999,38 4.833,39 5.009,40 4.291,41 4.064,42 6.065,43 4.052,44 4.971,45 5.18,46 4.261,47 4.099,48 6.231,49 4.06,50 4.947,51 5.175,52 4.109,53 4.089,54 5.992,55 4.01,56 0.147,57 0.872,58 11.003,59 4.833,60 14.961,61 6.357,62 0.522,63 1.369,64 23.845,65 8.449,66 41.515,67 11.265,68 0.84,69 1.619,70 39.191,71 11.2,72 73.86,73 15.679,74 1.064,75 1.55,76 46.841,77 11.817,78 96.709,79 17.033,80 0.747,81 1.398,82 36.449,83 9.53,84 77.182,85 13.565,86 0.68,87 1.423,88 27.162,89 7.991,90 66.854,91 11.201,92 1.094,93 1.506,94 32.827,95 8.801,96 110.123,97 12.579,98 0.871,99 1.415,100 36.38,101 9.877,102 82.628,103 13.594,104 26,105 49,106 0.292,107 0.655,108 0.828,109 0.858,110 0.858,111 0.858,112 3.502,113 0.964,114 -3.43,115 -3.41,116 -3.26,119 36.2,121 2,124 1,125 4,127 3,142 3,143 1,144 3,145 1,147 1,150 1,158 1,174 1,175 5,178 4,180 6,183 8,191 2,192 1,199 2,200 6,203 5,204 2,205 4,208 5,212 1,213 1,216 1,218 1,224 1,225 11,228 1,229 1,230 4,233 2,237 2,241 4,242 2,249 2,250 2,253 1,255 7,258 3,264 4,269 4,276 2066,277 21.273,278 21.273,279 21.273,280 21.273,281 21.273,282 19.656,283 37.751,284 12.483,285 22.079,286 17.298,287 17.298,288 17.298,289 17.298,290 17.298,291 14.774,292 65.613,293 6.007,294 18.699,295 4.081,296 1.872,297 0.819,298 0.634,299 0.634,300 0.634,301 4.194,302 2,306 1,307 794,308 3.317,311 89.259,312 349.19,319 1.84,320 41.625,323 1,324 0.67,325 1,326 1,327 1,328 1,329 1,330 0.95,331 70.667,332 370,333 4.394,334 3.606,335 6.492,336 4.032,337 3.067,338 4.025,339 1.058,340 10.141,341 2.968,342 4.169,343 3.164,344 6.03,345 3.738,346 2.801,347 3.808,348 0.86,349 8.584,350 2.636,351 3.818,352 3.134,353 5.734,354 3.719,355 2.775,356 3.093,357 0.8,358 8.145,359 2.576,360 3.76,361 2.835,362 5.493,363 3.556,364 2.607,365 2.836,366 0.4,367 7.366,368 2.474,369 3.571,370 2.779,371 5.31,372 3.287,373 2.37,374 2.634,375 0.4,376 6.83,377 2.151,378 3.299,379 2.623,380 5.002,381 3.032,382 2.113,383 2.482,385 5.886,386 1.925,387 3.232,388 2.473,389 4.818,390 2.804,391 1.879,392 2.481,394 5.363,395 1.724,396 3.131,397 2.289,398 4.675,399 2.707,400 1.86,401 2.28,403 4.963,404 1.574,405 2.977,406 1.98,407 4.618,408 2.659,409 1.732,410 2.023,412 4.936,413 1.441,414 2.643,415 1.847,416 4.088,417 2.21,418 1.25,419 1.635,421 3.392,422 1.188,423 2.283,424 1.679,425 3.848,426 2.087,427 1.153,428 1.273,430 2.93,431 1.07,432 2.11,433 1.32,434 3.415,435 1.984,436 1.086,437 1.107,439 2.374,440 0.983,441 2,442 1.077,443 3.414,444 1.925,445 1,446 1,448 2.275,449 0.904,450 1.423,451 0.645,452 3.053,453 1.142,454 0.206,455 0.229,457 0.532,458 0.192,459 1.206,460 0.418,461 2.915,462 0.975,468 15.329,469 0.479,470 0.89,471 0.028,472 36.75,473 1.148,474 14.5,475 0.453,476 22.25,477 0.695,478 31.853,479 0.995,480 36.271,481 0.625,482 29.634,483 0.926,484 7.079,485 0.221,486 8.289,487 0.259,488 0.169,490 0.352,496 0.861,497 1.569,498 0.612,499 1.044,500 0.727,501 0.945,502 0.948,503 1.133,504 0.706,505 0.888,506 0.665,507 0.913,508 0.99,509 1.262,510 0.974,511 1.073,512 0.939,513 1.093,514 0.715,515 0.8,516 0.589,517 0.741,518 0.847,519 0.794,520 1.041,521 0.967,522 0.824,523 0.787,524 1.291,525 0.771,526 1.009,527 1.348,528 0.711,529 1.074,530 1.333,531 1.016,532 1.071,533 1.061,534 0.783,535 0.809,536 1.194,537 0.928,538 1.191,539 0.803,540 0.921,541 0.842,542 1.332,543 0.944,544 8,545 0.256,546 3.111,547 2.569,548 1.564,549 1.181,550 0.735,551 0.613,552 0.434,553 0.323,554 13976,555 42523,556 2.063,557 44.8,559 17,561 1,562 4,565 4,567 1.75,568 1.92,569 3.476,570 1.663,572 1,577 103.048,578 1.777,579 3.986,580 5.039,581 5.224,582 5.224,583 5.224,584 2.968,585 4.625,586 4.968,587 3.685,588 1827.71,589 8.725,590 27021.9,595 339.763,596 1.448,597 4.925,598 0.229,599 0.007,600 0.063,601 0.055,602 0.036,603 0.026,604 0.015,605 0.013,606 0.011,607 0.008,608 0.462,609 0.17,610 0.88,611 0.575,612 167.781,613 -0.115,614 -0.252,615 0.01,616 -0.046,617 -0.08,618 0.007,619 -0.051,620 0.052,621 0.015,622 0.059,623 0.039,624 0.021,625 -0.057,626 -0.209,627 -0.101,628 -0.123,629 -0.033,630 -0.138,631 0.197,632 0.148,633 0.259,634 0.169,635 0.141,636 0.172,637 -0.085,638 0.043,639 0.034,640 0.139,641 -0.116,642 0.183,643 0.02,644 -0.182,645 0.012,646 -0.165,647 -0.065,648 -0.115,649 0.063,650 0.037,651 -0.036,652 0.047,653 0.089,654 -0.054,655 -0.166,656 0.226,657 -0.078,658 0.077,659 -0.17,660 -0.007,661 2.03,662 6.036,663 0.719,664 34.715,665 1.017,666 1.139,667 2.203,668 4.853,669 0.664,670 3.584,671 3.912,672 4.127,673 4.382,674 4.543,675 4.635,676 4.718,677 4.89,678 5.011,679 5.118,680 7.111,681 0.633,682 481.43,683 3.584,684 5.13,685 5.964,686 6.836,687 7.683,688 8.559,689 9.411,690 10.289,691 11.145,692 12.024,693 10.3,696 1,698 1,700 1,701 1,703 2,709 4,710 2,714 6,716 12,723 1,728 2,734 2,735 58,737 13,738 1,739 35,741 61,742 21,743 10,744 3,745 3,746 1,748 4,749 4,750 2,757 5,760 5,762 11,763 10,767 1,772 1,776 1,783 26,784 9,785 4,786 11,787 2,792 6,797 1,798 3,800 1,803 1,810 1,815 1,816 3,839 1,841 1,842 1,843 4,847 1,848 2,851 32,857 1,858 6,860 3,861 1,863 3,864 1,873 2,874 5.2,875 1,877 1,878 1,881 16.667,882 10.252,883 6.917,884 3.366,886 2.145,887 1.282,888 0.939,889 7.708,890 9.755,891 3.761,892 4.29,893 4.745,894 5.259,895 5.703,896 5.934,897 6.156,898 6.569,899 6.903,900 7.264,901 0.875,902 47,903 11.898,905 5.153,906 7.84,907 22.521,909 18.689,911 2.34,912 74.889,916 258.964,917 86.213,918 90.728,919 78.297,920 78.828,923 86.213,924 416.09,925 90.728,926 8.396,927 36.476,928 71.112,929 104.202,930 43.126,931 4.227,932 247.193,933 78.297,934 258.964,935 176.941,936 78.828,937 78.297,939 211.88,940 72.229,941 53.683,943 68.558,944 56.801,945 129.879,947 258.964,948 169.556,949 164.51,952 258.964,953 40.34,954 48.997,955 54.032,956 190.697,957 258.964,958 169.556,959 164.51,961 0.586,962 0.328,963 0.175,964 0.09,965 23,966 11,967 0.098,968 6,970 1,971 4.288,972 290.272,974 23,975 150,981 23.482,982 10.505,983 6.229,985 169.556,986 6.481,987 8.799,991 2.432,993 96.716,994 593.03,995 42,1000 13.036,1004 -0.257,1007 58.96,1008 66.073,1009 0.303,1010 0.68,1011 0.86,1012 0.892,1013 0.892,1014 0.892,1015 5.024,1016 1.86,1017 5.953,1018 5.363,1019 4.595,1020 4.977,1021 1.844,1022 6.727,1023 4.448,1024 6.197,1025 1.732,1026 7.491,1027 4.963,1028 4.205,1029 4.771,1030 0.325,1031 7.506,1032 3.968,1033 7.483,1034 1.25,1035 9.118,1036 4.936,1037 6.163,1038 7.029,1039 1.642,1040 10.571,1041 5.908,1042 8.794,1043 1.153,1044 10.796,1045 3.392,1046 6.524,1047 7.575,1048 0.268,1049 12.141,1050 6.208,1051 10.133,1052 1.086,1053 12.507,1054 2.93,1055 7.977,1056 9.38,1057 1.59,1058 14.721,1059 7.634,1060 11.491,1061 1,1062 14.241,1063 2.374,1064 8.696,1065 10.299,1066 0.188,1067 16.662,1068 8.307,1069 12.866,1070 0.206,1071 15.994,1072 2.275,1073 9.935,1074 11.905,1075 1.593,1076 19.059,1077 9.515,1078 3.067,1080 17.761,1081 0.532,1082 10.834,1083 13.024,1084 0.125,1085 21.181,1086 10.376,1087 2.801,1088 10.141,1089 19.54,1091 11.98,1092 14.53,1093 1.624,1094 23.509,1095 11.489,1096 2.775,1097 8.584,1098 21.33,1099 4.025,1100 12.97,1101 15.76,1102 0.082,1103 25.722,1104 12.446,1105 2.607,1106 8.145,1107 23.128,1108 3.808,1109 14.077,1110 17.21,1111 1.676,1112 28.027,1113 13.521,1114 2.37,1115 7.366,1116 24.935,1117 3.093,1118 15.114,1119 18.503,1120 0.054,1121 30.285,1122 14.527,1123 2.113,1124 6.83,1125 26.748,1126 2.836,1127 16.206,1128 19.922,1129 1.742,1130 32.586,1131 15.59,1132 1.879,1133 5.886,1134 28.567,1135 2.634,1136 17.269,1137 21.252,1138 0.035,1139 34.868,1140 16.624,1141 13364,1142 23566,1143 23.175,1144 38.489,1145 52.033,1146 53.711,1147 53.81,1148 52.2,1149 51.796,1150 61.814,1151 7.037,1152 147.435,1153 47.612,1154 5.394,1155 5.606,1156 6.01,1157 5.119,1158 5.067,1159 7.025,1160 2.117,1161 17.007,1162 4.968,1163 17.019,1164 1.487,1165 1.535,1166 1.537,1167 1.491,1168 1.48,1169 1.766,1170 0.201,1171 4.212,1172 1.36,1173 3.992,1174 4.037,1175 4.094,1176 3.876,1177 7.429,1178 3.878,1179 3.879,1180 3.923,1181 3.903,1182 3.762,1183 6.449,1184 3.774,1185 3.835,1186 3.881,1187 3.724,1188 3.665,1189 5.055,1190 3.671,1191 3.739,1192 3.775,1193 3.661,1194 3.556,1195 4.942,1196 3.574,1197 3.378,1198 3.456,1199 3.582,1200 3.102,1201 4.632,1202 3.136,1203 3.166,1204 3.235,1205 3.339,1206 2.956,1207 4.588,1208 2.963,1209 3.111,1210 3.206,1211 3.146,1212 2.941,1213 4.39,1214 2.91,1215 3.028,1216 3.113,1217 2.936,1218 2.849,1219 4.203,1220 2.815,1221 0.126,1222 0.103,1223 0.185,1224 0.115,1225 0.088,1226 4.394,1227 0.115,1228 3.606,1229 0.03,1230 6.492,1231 0.29,1232 4.032,1233 0.085,1234 3.067,1235 4.025,1236 1.058,1237 10.141,1238 2.968,1239 1.891,1240 1.867,1241 2.046,1242 2.057,1243 1.399,1244 2.051,1245 1.844,1246 1.793,1247 1.939,1248 2.002,1249 1.164,1250 1.994,1251 1.76,1252 1.713,1253 1.854,1254 1.905,1255 1.059,1256 1.904,1257 1.538,1258 1.49,1259 1.718,1260 1.744,1261 0.844,1262 1.74,1263 1.298,1264 1.248,1265 1.599,1266 1.614,1267 0.825,1268 1.599,1269 1.285,1270 1.201,1271 1.568,1272 1.581,1273 0.775,1274 1.579,1275 1.153,1276 1.064,1277 1.513,1278 1.376,1279 0.727,1280 1.429,1281 1.094,1282 1.034,1283 1.28,1284 1.363,1285 0.397,1286 1.352,1287 4.263,1289 5.587,1290 2.398,1291 7.084,1292 4.595,1293 8.662,1294 6.529,1295 10.282,1297 2.071,1298 12.14,1302 10.15,1303 4.179,1305 9.28,1306 5.32,1308 -0.982,1309 2.239,1314 36.723,1315 103.048,1316 231.194,1317 292.253,1318 303.008,1319 303.008,1320 303.008,1321 70.001,1322 7.61,1323 111.64,1324 111.64,1325 23,1326 12.566,1327 3.807,1328 3,1329 51.529,1330 129,1331 154,1332 0.183,1333 231.565,1334 404.93,1335 556.777,1336 20340,1337 3.4,1338 22.665,1339 0.708,1340 0.599,1341 23.665,1342 19.157,1343 15.368,1344 0.439,1345 0.321,1346 10.36,1347 14.058,1348 10.103,1349 8.279,1350 15.946,1351 11.247,1352 14.365,1353 0.293,1354 0.184,1355 15.182,1356 9.019,1357 11.309,1358 0.185,1359 0.099,1360 11.78,1361 6.015,1362 9.623,1363 0.122,1364 0.054,1365 10.418,1366 4.272,1367 7.028,1368 0.076,1369 0.028,1370 7.316,1371 2.623,1372 0.285,1373 103.499,1374 0.208,1375 29.863,1376 0.508,1377 168,1378 523.961,1379 218.142,1380 556.792,1381 727.06,1382 518,1383 194,1384 472.51,1385 233.537,1386 495.616,1387 724.77,1388 464,1389 4.523}
{0 CHEMBL2312654,1 1.66,2 10.935,3 5.645,4 31.866,5 126.728,6 8.095,7 0.5,8 4.145,9 4.272,10 3.784,11 3.672,12 5.207,13 3.644,14 4.697,15 4.889,16 4.178,17 4.079,18 5.701,19 4.027,20 4.96,21 5.178,22 4.196,23 4.224,24 5.89,25 4.128,26 5.074,27 5.336,28 4.29,29 4.209,30 6.004,31 4.091,32 4.993,33 5.263,34 4.057,35 4.14,36 5.878,37 4.03,38 4.882,39 5.12,40 4.161,41 4.096,42 5.848,43 4.014,44 4.893,45 5.127,46 4.09,47 4.097,48 5.843,49 4.018,50 4.88,51 5.111,52 4.078,53 4.104,54 5.799,55 4.003,56 0.093,57 0.862,58 11.058,59 4.855,60 10.365,61 6.617,62 0.27,63 1.368,64 23.227,65 8.488,66 24.843,67 11.734,68 0.368,69 1.628,70 35.79,71 11,72 37.369,73 15.391,74 0.753,75 1.684,76 45.381,77 12.495,78 59.148,79 17.984,80 0.552,81 1.61,82 40,83 11.368,84 48.501,85 16.447,86 0.462,87 1.489,88 32.183,89 9.883,90 45.627,91 14.53,92 0.545,93 1.503,94 31.344,95 9.042,96 43.286,97 12.738,98 0.454,99 1.427,100 33.745,101 10.334,102 41.467,103 14.453,104 27,105 48,106 0.272,107 0.61,108 0.754,109 0.789,110 0.812,111 0.812,112 3.472,113 0.979,114 -5.46,115 -5.34,116 -4.99,119 38.6,120 1,121 4,124 2,127 2,142 4,143 1,144 3,145 1,146 1,147 1,150 1,152 1,166 1,172 2,174 1,175 8,178 3,180 5,183 11,188 4,193 2,196 2,199 2,200 8,203 2,204 1,205 5,208 6,212 2,213 2,216 2,221 2,225 12,228 1,230 6,233 4,237 1,238 7,241 1,243 2,246 2,250 4,255 4,258 11,263 2,264 3,267 1,272 6,276 1908,277 20.566,278 20.566,279 20.566,280 20.566,281 20.566,282 18.457,283 31.118,284 12.016,285 21.229,286 16.815,287 16.815,288 16.815,289 16.815,290 16.815,291 13.642,292 53.211,293 5.78,294 17.975,295 4.172,296 2.111,297 1.233,298 1.022,299 0.882,300 0.882,301 4.165,302 2,306 1,307 725,308 3.162,311 88.154,312 323.474,319 1.684,320 25.239,323 0.75,324 0.83,325 1,326 1,327 0.5,328 1,329 1,330 0.87,331 66.667,332 339,333 4.437,334 3.181,335 6.534,336 4.054,337 3.083,338 4.124,339 0.8,340 10.339,341 3,342 4.176,343 3.128,344 5.93,345 3.739,346 2.796,347 3.819,348 0.4,349 8.238,350 2.67,351 3.955,352 2.98,353 5.741,354 3.726,355 2.779,356 3.537,357 0.4,358 8.164,359 2.58,360 3.778,361 2.729,362 5.544,363 3.501,364 2.556,365 2.91,367 7.46,368 2.41,369 3.58,370 2.623,371 5.301,372 3.283,373 2.355,374 2.776,376 6.843,377 2.191,378 3.348,379 2.608,380 5.15,381 3.136,382 2.192,383 2.481,385 6.3,386 2.028,387 3.232,388 2.382,389 4.777,390 2.765,391 1.879,392 2.454,394 5.285,395 1.665,396 3.202,397 2.023,398 4.622,399 2.707,400 1.833,401 2.414,403 4.963,404 1.523,405 2.94,406 1.783,407 4.618,408 2.575,409 1.634,410 2.051,412 4.7,413 1.441,414 2.627,415 1.422,416 3.948,417 2.193,418 1.239,419 1.682,421 3.116,422 1.179,423 2.249,424 1.222,425 3.766,426 2.11,427 1.159,428 1.245,430 2.881,431 1.099,432 2.186,433 1,434 3.414,435 2,436 1,437 1.038,439 2.275,440 1,441 2,442 0.724,443 3.27,444 1.693,445 0.705,446 1,448 1.694,449 0.696,450 1.437,451 0.325,452 3.043,453 1.11,454 0.169,455 0.202,457 0.459,458 0.159,459 1.221,460 0.286,461 2.957,462 0.968,463 0.034,464 0.04,466 0.098,467 0.032,468 15.162,469 0.489,470 0.89,471 0.029,472 38,473 1.226,474 17,475 0.548,476 21,477 0.677,478 30.871,479 0.996,480 34.038,481 0.597,482 27.704,483 0.894,484 7.099,485 0.229,486 7.769,487 0.251,488 0.193,490 0.356,496 0.726,497 1.461,498 0.603,499 1.013,500 0.665,501 0.95,502 0.791,503 1.092,504 0.633,505 0.859,506 0.487,507 0.853,508 1.093,509 1.252,510 0.986,511 1.087,512 1.002,513 1.082,514 0.72,515 0.983,516 0.606,517 0.836,518 0.566,519 0.875,520 0.885,521 0.872,522 0.796,523 0.81,524 0.945,525 0.832,526 0.635,527 1.192,528 0.589,529 0.962,530 0.591,531 0.915,532 1.411,533 0.883,534 0.815,535 0.737,536 1.231,537 0.877,538 1.054,539 1.042,540 0.837,541 0.961,542 0.967,543 0.972,544 8,545 0.276,546 2.889,547 2.472,548 1.414,549 1.24,550 0.589,551 0.595,552 0.382,553 0.395,554 12761,555 35560,556 2.065,557 45.6,559 12,561 1,562 2,563 3,564 8,567 1.742,568 1.918,569 3.42,570 0.257,577 94.646,578 1.66,579 3.722,580 4.6,581 4.811,582 4.951,583 4.951,584 2.882,585 4.374,586 4.922,587 3.647,588 1695.73,589 8.63,590 24551.5,595 332.475,596 1.462,597 4.877,598 0.235,599 0.008,600 0.06,601 0.054,602 0.032,603 0.03,604 0.013,605 0.015,606 0.01,607 0.01,608 0.466,609 0.17,610 0.75,611 0.744,612 160.888,613 0.047,614 -0.198,615 0.027,616 -0.051,617 0.022,618 -0.01,619 0.057,620 0.059,621 0.094,622 0.078,623 0.258,624 0.088,625 -0.162,626 -0.186,627 -0.111,628 -0.135,629 -0.107,630 -0.129,631 0.239,632 -0.02,633 0.216,634 0.092,635 0.302,636 0.09,637 -0.007,638 0.117,639 0.037,640 0.109,641 -0.027,642 0.127,643 0.204,644 -0.161,645 0.154,646 -0.036,647 0.24,648 0.045,649 -0.262,650 0.203,651 -0.065,652 0.133,653 -0.264,654 0.015,655 -0.061,656 -0.034,658 -0.007,659 -0.048,660 -0.007,661 1.22,662 2.006,663 0.742,664 32.724,665 1.005,666 1.134,667 4.23,668 17.891,669 0.677,670 3.555,671 3.892,672 4.111,673 4.382,674 4.564,675 4.691,676 4.771,677 4.956,678 5.106,679 5.226,680 6.975,681 0.637,682 461.44,683 3.555,684 5.106,685 5.943,686 6.821,687 7.673,688 8.554,689 9.412,690 10.296,691 11.158,692 12.043,693 10.5,696 1,698 1,701 1,703 3,709 5,710 3,712 1,714 8,716 17,728 2,734 2,735 57,737 17,738 1,739 34,741 60,742 22,743 13,744 3,745 3,748 4,749 4,750 2,754 1,757 6,760 6,762 13,763 9,783 26,784 7,785 2,786 9,787 2,791 1,792 6,797 1,798 1,810 1,815 1,816 3,839 1,843 4,847 3,848 2,851 31,858 4,860 2,863 2,864 1,873 2,874 1.8,879 1,881 16.167,882 11.086,883 6.667,884 3.442,886 2.646,887 1.347,888 0.97,889 7.018,890 10.278,891 3.773,892 4.36,893 4.867,894 5.437,895 5.87,896 6.165,897 6.476,898 6.925,899 7.305,900 7.635,901 1,902 46,903 11.415,905 4.789,906 7.62,907 22.077,909 18.153,911 2.12,912 65.722,916 282.506,917 108.085,918 92.313,919 78.297,920 9.734,923 108.085,924 370.538,925 92.313,926 25.618,927 10.138,928 37.905,929 82.95,930 55.617,931 9.676,932 270.735,933 78.297,934 282.506,935 200.398,936 9.734,937 78.297,939 188.338,940 103.903,943 53.802,944 75.418,945 149.476,947 282.506,948 102.048,949 186.382,952 282.506,953 35.514,954 75.695,955 36.022,956 141.199,957 282.506,958 102.048,959 186.382,961 0.588,962 0.327,963 0.175,964 0.091,965 23,966 11,967 0.1,968 6,970 1,971 4.201,972 279.382,974 23,975 141.58,981 22.341,982 9.738,983 5.69,985 102.048,986 8.869,987 13.22,989 5.486,991 5.197,993 36.022,994 570.936,995 42.5,1007 57.305,1008 64.654,1009 0.285,1010 0.638,1011 0.789,1012 0.825,1013 0.849,1014 0.849,1015 5.026,1016 1.833,1017 5.938,1018 5.285,1019 4.575,1020 5.047,1021 0.956,1022 6.72,1023 4.45,1024 6.223,1025 1.634,1026 7.479,1027 4.963,1028 4.205,1029 4.844,1030 0.325,1031 7.519,1032 3.97,1033 7.519,1034 1.239,1035 9.111,1036 4.7,1037 6.151,1038 7.173,1039 0.447,1040 10.58,1041 5.932,1042 8.842,1043 1.159,1044 10.792,1045 3.116,1046 6.524,1047 7.733,1048 0.268,1049 12.172,1050 6.225,1051 10.192,1052 1,1053 12.506,1054 2.881,1055 7.972,1056 9.574,1057 0.252,1058 14.752,1059 7.676,1060 11.561,1061 0.705,1062 14.244,1063 2.275,1064 8.698,1065 10.514,1066 0.188,1067 16.719,1068 8.344,1069 12.946,1070 0.169,1071 15.999,1072 1.694,1073 9.937,1074 12.133,1075 0.158,1076 19.123,1077 9.574,1078 3.083,1079 0.034,1080 17.769,1081 0.459,1082 10.842,1083 13.278,1084 0.125,1085 21.275,1086 10.435,1087 2.796,1088 10.339,1089 19.551,1090 0.098,1091 11.99,1092 14.787,1093 0.103,1094 23.618,1095 11.567,1096 2.779,1097 8.238,1098 21.344,1099 4.124,1100 12.986,1101 16.043,1102 0.082,1103 25.86,1104 12.529,1105 2.556,1106 8.164,1107 23.146,1108 3.819,1109 14.096,1110 17.497,1111 0.067,1112 28.186,1113 13.62,1114 2.355,1115 7.46,1116 24.956,1117 3.537,1118 15.14,1119 18.815,1120 0.054,1121 30.472,1122 14.635,1123 2.192,1124 6.843,1125 26.773,1126 2.91,1127 16.237,1128 20.24,1129 0.043,1130 32.796,1131 15.712,1132 1.879,1133 6.3,1134 28.597,1135 2.776,1136 17.307,1137 21.592,1138 0.035,1139 35.105,1140 16.757,1141 12257,1142 20810,1143 22.482,1144 38.58,1145 51.296,1146 51.009,1147 52.525,1148 51.239,1149 50.831,1150 63.546,1151 3.2,1152 145.629,1153 47.345,1154 5.437,1155 5.181,1156 5.949,1157 5.127,1158 5.083,1159 7.124,1160 1.2,1161 17.272,1162 5,1163 17.015,1164 1.509,1165 1.5,1166 1.545,1167 1.507,1168 1.495,1169 1.869,1170 0.094,1171 4.283,1172 1.393,1173 4.022,1174 4.063,1175 4.096,1176 3.891,1177 5.237,1178 3.9,1179 3.892,1180 3.933,1181 3.956,1182 3.813,1183 5.042,1184 3.814,1185 3.874,1186 3.904,1187 3.766,1188 3.733,1189 4.922,1190 3.735,1191 3.674,1192 3.727,1193 3.646,1194 3.476,1195 4.632,1196 3.505,1197 3.477,1198 3.57,1199 3.582,1200 3.246,1201 4.41,1202 3.251,1203 3.137,1204 3.217,1205 3.33,1206 2.947,1207 4.232,1208 2.957,1209 3.111,1210 3.206,1211 3.188,1212 2.941,1213 4.148,1214 2.91,1215 3.057,1216 3.148,1217 2.883,1218 2.849,1219 3.928,1220 2.829,1221 0.13,1222 0.094,1223 0.192,1224 0.119,1225 0.091,1226 4.437,1227 0.121,1228 3.181,1229 0.024,1230 6.534,1231 0.304,1232 4.054,1233 0.088,1234 3.083,1235 4.124,1236 0.8,1237 10.339,1238 3,1239 1.909,1240 1.872,1241 2.094,1242 2.073,1243 1.487,1244 2.079,1245 1.874,1246 1.837,1247 1.937,1248 1.994,1249 1.061,1250 1.987,1251 1.761,1252 1.728,1253 1.842,1254 1.887,1255 0.973,1256 1.884,1257 1.517,1258 1.459,1259 1.757,1260 1.716,1261 0.9,1262 1.735,1263 1.447,1264 1.356,1265 1.709,1266 1.695,1267 0.825,1268 1.706,1269 1.153,1270 1.105,1271 1.513,1272 1.451,1273 0.762,1274 1.429,1275 1.144,1276 1.064,1277 1.417,1278 1.376,1279 0.625,1280 1.383,1281 1.062,1282 0.973,1283 1.376,1284 1.333,1285 0.469,1286 1.35,1287 4.234,1289 5.565,1290 2.398,1291 7.067,1292 4.595,1293 8.651,1294 6.555,1295 10.278,1297 6.183,1298 12.235,1303 4.458,1305 6.801,1308 0.965,1309 2.307,1314 36.293,1315 94.646,1316 212.154,1317 262.21,1318 274.21,1319 282.21,1320 282.21,1321 50.561,1322 7.631,1323 79.11,1324 79.11,1325 23,1326 12.58,1327 4.17,1328 3.248,1329 49.141,1330 122,1331 135,1332 0.184,1333 230.237,1334 391.11,1335 553.538,1336 20408,1337 3.5,1338 21.957,1339 0.708,1340 0.624,1341 22.957,1342 19.335,1343 14.868,1344 0.437,1345 0.326,1346 10.256,1347 13.688,1348 9.862,1349 8.211,1350 15.446,1351 11.096,1352 14.061,1353 0.293,1354 0.189,1355 14.878,1356 9.058,1357 10.904,1358 0.182,1359 0.1,1360 11.375,1361 6.005,1362 9.427,1363 0.119,1364 0.056,1365 10.221,1366 4.434,1367 6.964,1368 0.073,1369 0.03,1370 7.253,1371 2.824,1372 0.288,1373 99.345,1374 0.211,1375 29.056,1376 0.512,1377 164,1378 463.388,1379 210.155,1380 511.25,1381 685.26,1382 476,1383 190,1384 475.016,1385 225.66,1386 499.038,1387 720.65,1388 466,1389 6.328}
{0 CHEMBL234085,1 1.567,2 8.696,3 1.372,4 1.883,5 87.831,6 7.266,7 0.4,8 3.858,9 3.998,10 3.408,11 3.334,12 4.964,13 3.324,14 4.432,15 4.643,16 3.762,17 3.746,18 5.408,19 3.709,20 4.697,21 4.92,22 3.855,23 3.924,24 5.691,25 3.859,26 4.853,27 5.103,28 3.837,29 3.998,30 5.874,31 3.897,32 4.905,33 5.183,34 3.72,35 4.009,36 5.772,37 3.869,38 4.827,39 5.104,40 3.663,41 3.916,42 5.78,43 3.789,44 4.681,45 4.945,46 3.517,47 3.743,48 5.755,49 3.62,50 4.465,51 4.769,52 3.189,53 3.443,54 5.493,55 3.305,56 0.02,57 0.693,58 9.09,59 3.332,60 9.916,61 4.976,62 0.278,63 1.085,64 18.121,65 5.65,66 22.406,67 8.677,68 0.25,69 1.31,70 24.153,71 7.443,72 39.951,73 11.503,74 0.483,75 1.411,76 29.517,77 9.021,78 72.937,79 13.754,80 0.428,81 1.405,82 31.822,83 9.981,84 54.136,85 15.511,86 0.334,87 1.307,88 29.314,89 8.631,90 58.293,91 13.766,92 0.462,93 1.106,94 25.547,95 7.42,96 68.581,97 11.408,98 0.26,99 0.837,100 21.112,101 5.624,102 40.757,103 9.33,104 20,105 35,106 0.274,107 0.644,108 0.86,109 0.876,110 0.876,111 0.876,112 3.189,113 0.933,114 -3,115 -3.01,116 -2.9,119 37.2,120 1,121 2,122 1,124 1,125 2,127 1,142 1,143 1,147 1,148 1,151 1,158 2,161 1,172 3,174 3,175 8,178 1,180 2,183 1,187 1,188 6,199 3,200 3,203 2,208 2,212 2,213 5,221 4,225 4,230 1,233 3,237 3,238 5,241 1,243 2,246 1,250 2,258 1,263 2,264 2,267 1,269 1,276 709,277 15.56,278 15.56,279 15.56,280 15.56,281 15.56,282 14.091,283 16.291,284 9.16,285 15.944,286 12.26,287 12.26,288 12.26,289 12.26,290 12.26,291 9.988,292 21.804,293 4.2,294 12.86,295 3.859,296 1.738,297 0.5,298 0.407,299 0.407,300 0.407,301 3.866,304 1,305 1,306 1,307 426,308 3.317,311 47.145,312 133.048,315 88.881,319 1.361,320 22.725,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 50,332 200,333 4.557,334 4.093,335 6.803,336 4.155,337 3.205,338 4.474,339 2.65,340 11.145,341 3.046,342 4.076,343 3.667,344 6.327,345 3.883,346 2.919,347 3.218,348 1.749,349 9.527,350 2.813,351 3.838,352 3.345,353 5.963,354 3.58,355 2.613,356 3.056,357 0.8,358 8.302,359 2.528,360 3.477,361 2.888,362 5.451,363 3.125,364 2.176,365 2.619,366 0.547,367 6.657,368 2.054,369 3.365,370 2.381,371 4.576,372 2.508,373 1.554,374 2.321,376 4.315,377 1.481,378 3.048,379 2.038,380 4.211,381 2.485,382 1.543,383 1.92,385 3.807,386 1.46,387 2.703,388 1.614,389 4.104,390 2.479,391 1.52,392 1.708,394 3.61,395 1.437,396 2.521,397 1.547,398 3.659,399 1.947,400 1,401 1.5,403 2.362,404 0.945,405 2.5,406 1.512,407 3.396,408 1.868,409 0.917,410 1.283,412 2.222,413 0.869,414 2.103,415 1.046,416 3.069,417 1.839,418 0.848,419 1.031,421 1.399,422 0.831,423 1.723,424 1,425 2.957,426 1.323,427 0.392,428 0.523,430 0.97,431 0.364,432 1.18,433 0.458,434 2.508,435 0.849,436 -0.127,437 -0.135,439 -0.278,440 -0.123,441 0.963,442 0.157,443 2.291,444 0.419,445 -0.585,446 -0.785,448 -0.922,449 -0.552,450 0.772,451 -0.22,452 2.249,453 0.316,454 -0.614,455 -0.841,457 -1.49,458 -0.594,459 0.5,460 -0.501,461 1.95,462 0.112,463 -0.829,464 -1,466 -2.428,467 -0.78,468 10.733,469 0.467,470 0.559,471 0.024,472 29,473 1.261,474 13,475 0.565,476 16,477 0.696,478 19.759,479 0.859,480 25.267,481 0.588,482 19.773,483 0.86,484 5.462,485 0.237,486 5.651,487 0.246,488 0.161,490 0.354,496 0.785,497 1.683,498 0.793,499 1.281,500 0.477,501 1.069,502 0.81,503 1.013,504 0.86,505 0.91,506 0.488,507 0.885,508 1.057,509 1.244,510 1.01,511 1.144,512 0.839,513 1.079,514 1.012,515 0.926,516 1.059,517 1.027,518 0.787,519 1.054,520 0.811,521 0.904,522 0.977,523 0.993,524 0.721,525 1.012,526 0.939,527 0.99,528 1.011,529 1.021,530 0.943,531 1.02,532 1.186,533 0.907,534 1.136,535 1.024,536 1.404,537 1.08,538 0.98,539 0.917,540 0.952,541 0.928,542 0.899,543 0.923,544 4,545 0.041,546 3.333,547 1.75,548 1.217,549 0.903,550 0.469,551 0.359,552 0.131,553 0.091,554 5072,555 14465,556 2.041,557 46.5,558 3,559 9,560 1,561 1,562 1,563 2,564 3,567 1.662,568 1.89,569 3.116,570 -0.241,571 1,572 1,574 1,577 67.381,578 1.567,579 3.688,580 4.926,581 5.019,582 5.019,583 5.019,584 2.541,585 4.35,586 4.496,587 3.239,588 819.495,589 7.766,590 9094.07,592 1,595 233.329,596 1.478,597 4.443,598 0.16,599 0.007,600 0.095,601 0.047,602 0.035,603 0.029,604 0.016,605 0.015,606 0.008,607 0.008,608 0.42,609 0.5,610 1,611 1.226,612 105.892,613 -0.038,614 -0.402,615 0.063,616 -0.16,617 0.051,618 -0.052,619 0.09,620 0.131,621 0.072,622 0.099,623 0.039,624 0.086,625 -0.099,626 -0.183,627 -0.065,628 -0.131,629 -0.015,630 -0.098,631 0.006,632 0.061,633 -0.087,634 -0.041,635 0.074,636 -0.077,637 0.01,638 0.008,639 -0.006,640 0.009,641 -0.035,643 -0.091,644 -0.06,645 -0.036,646 -0.042,647 -0.079,648 -0.027,649 -0.041,650 0.02,651 -0.136,652 -0.062,653 -0.145,654 -0.115,655 -0.062,656 -0.056,657 0.059,658 0.002,659 0.016,660 0.052,661 1.757,662 5.035,663 0.652,664 16.253,665 1.003,666 1.142,667 1.775,668 3.15,669 0.647,670 3.258,671 3.584,672 3.892,673 4.143,674 4.317,675 4.382,676 4.454,677 4.5,678 4.431,679 4.443,680 5.258,681 0.617,682 312.42,683 3.258,684 4.796,685 5.659,686 6.544,687 7.427,688 8.318,689 9.208,690 10.101,691 10.994,692 11.889,693 14,699 1,700 1,701 1,702 1,703 2,708 2,709 3,710 2,711 1,714 1,716 10,730 1,735 43,737 12,739 25,741 45,742 16,743 6,748 3,749 4,754 1,757 2,758 1,760 3,761 1,762 7,763 8,764 1,767 1,772 1,776 1,779 1,780 1,783 20,784 6,785 1,786 7,792 6,797 0.667,798 1,810 1,811 1,815 1,816 2,819 1,825 1,830 1,843 2,847 2,851 23,858 4,863 2,864 2,866 1,870 1,872 1,874 2.3,877 1,881 12.167,882 8.333,883 5.167,884 2.635,886 2.176,887 1.315,888 0.951,889 4.495,890 9.091,891 3.526,892 4.047,893 4.606,894 5.172,895 5.559,896 5.842,897 6.175,898 6.484,899 6.31,900 6.53,901 0.833,902 37,903 8.495,905 3.583,906 7.819,907 16.252,909 13.401,911 2.319,912 53.333,916 223.651,917 81.567,918 87.665,920 25.145,923 81.567,924 248.796,925 87.665,926 17.222,927 12.405,928 18.524,929 93.509,930 62.161,931 14.099,932 200.109,934 223.651,935 169.231,936 25.145,939 188.338,940 60.458,943 79.409,944 56.252,945 33.571,947 223.651,948 112.809,949 81.567,952 223.651,953 20.601,954 50.612,955 33.387,956 89.775,957 223.651,958 112.809,959 81.567,961 0.578,962 0.355,963 0.194,964 0.099,965 17,966 8,967 0.067,968 3,969 1,970 1.133,971 3.412,972 186.366,973 0.133,974 15,975 104.042,981 15.766,982 6.557,983 3.02,984 1.783,985 96.024,986 5.369,987 8.656,988 3.094,991 0.864,993 16.786,994 418.027,995 33,1000 12.035,1004 -0.09,1007 43.123,1008 49.106,1009 0.289,1010 0.68,1011 0.908,1012 0.925,1013 0.925,1014 0.925,1015 4.783,1016 1,1017 5.652,1018 3.61,1019 4.263,1020 4.732,1021 3.059,1022 6.497,1023 4.171,1024 5.978,1025 0.917,1026 7.238,1027 2.362,1028 3.892,1029 4.511,1030 1.738,1031 7.483,1032 3.769,1033 7.281,1034 0.848,1035 8.928,1036 2.222,1037 5.883,1038 6.879,1039 4.68,1040 10.61,1041 5.702,1042 8.618,1043 0.392,1044 10.679,1045 1.399,1046 6.365,1047 7.584,1048 3.393,1049 12.417,1050 6.15,1051 9.988,1052 -0.127,1053 12.469,1054 0.97,1055 7.817,1056 9.418,1057 6.518,1058 15.061,1059 7.548,1060 11.383,1061 -0.585,1062 14.283,1063 -0.278,1064 8.668,1065 10.557,1066 5.294,1067 17.192,1068 8.358,1069 12.797,1070 -0.614,1071 16.115,1072 -0.922,1073 9.918,1074 12.188,1075 8.412,1076 19.673,1077 9.557,1078 3.205,1079 -0.829,1080 17.96,1081 -1.49,1082 10.929,1083 13.527,1084 7.317,1085 21.945,1086 10.524,1087 2.919,1088 11.145,1089 19.814,1090 -2.428,1091 12.105,1092 15.077,1093 10.325,1094 24.369,1095 11.648,1096 2.613,1097 9.527,1098 21.676,1099 4.474,1100 13.187,1101 16.505,1102 9.381,1103 26.705,1104 12.682,1105 2.176,1106 8.302,1107 23.545,1108 3.218,1109 14.337,1110 18.023,1111 12.246,1112 29.11,1113 13.781,1114 1.554,1115 6.657,1116 25.418,1117 3.056,1118 15.452,1119 19.49,1120 11.448,1121 31.479,1122 14.846,1123 1.543,1124 4.315,1125 27.295,1126 2.619,1127 16.596,1128 20.996,1129 14.171,1130 33.879,1131 15.938,1132 1.52,1133 3.807,1134 29.176,1135 2.321,1136 17.727,1137 22.481,1138 13.507,1139 36.264,1140 17.017,1141 5032,1142 8585,1143 16.414,1144 27.819,1145 38.783,1146 41.043,1147 39.434,1148 37.352,1149 37.373,1150 47.31,1151 11.491,1152 108.632,1153 35.657,1154 5.557,1155 6.093,1156 6.572,1157 5.236,1158 5.205,1159 7.474,1160 5.231,1161 18.665,1162 4.985,1163 11.679,1164 1.551,1165 1.642,1166 1.577,1167 1.494,1168 1.495,1169 1.892,1170 0.46,1171 4.345,1172 1.426,1173 4.1,1174 4.15,1175 4.064,1176 3.952,1177 7.428,1178 3.974,1179 3.895,1180 3.952,1181 3.8,1182 3.741,1183 6.817,1184 3.745,1185 3.595,1186 3.642,1187 3.517,1188 3.418,1189 5.122,1190 3.435,1191 3.408,1192 3.495,1193 3.296,1194 3.18,1195 4.498,1196 3.195,1197 3.22,1198 3.308,1199 3.103,1200 2.993,1201 4.354,1202 3.006,1203 3.213,1204 3.304,1205 3.067,1206 2.99,1207 4.065,1208 2.993,1209 3.001,1210 3.104,1211 2.761,1212 2.799,1213 3.811,1214 2.773,1215 2.844,1216 2.903,1217 2.703,1218 2.558,1219 3.731,1220 2.591,1221 0.182,1222 0.164,1223 0.272,1224 0.166,1225 0.128,1226 4.557,1227 0.179,1228 4.093,1229 0.106,1230 6.803,1231 0.446,1232 4.155,1233 0.122,1234 3.205,1235 4.474,1236 2.65,1237 11.145,1238 3.046,1239 1.902,1240 1.851,1241 2.07,1242 2.081,1243 1.441,1244 2.077,1245 1.773,1246 1.729,1247 1.856,1248 1.957,1249 0.99,1250 1.931,1251 1.53,1252 1.486,1253 1.709,1254 1.742,1255 0.847,1256 1.73,1257 1.466,1258 1.396,1259 1.641,1260 1.696,1261 0.804,1262 1.692,1263 1.289,1264 1.199,1265 1.601,1266 1.535,1267 0.679,1268 1.563,1269 1.196,1270 1.104,1271 1.534,1272 1.45,1273 0.604,1274 1.481,1275 1.036,1276 0.935,1277 1.421,1278 1.284,1279 0.593,1280 1.337,1281 0.869,1282 0.79,1283 1.09,1284 1.123,1285 0.256,1286 1.121,1287 3.932,1289 5.252,1290 2.398,1291 6.779,1292 4.595,1293 8.402,1294 6.605,1295 10.075,1297 4.205,1303 2.206,1308 0.606,1309 3.925,1312 8.739,1313 1.943,1314 26.531,1315 67.381,1316 158.574,1317 211.82,1318 215.82,1319 215.82,1320 215.82,1321 41.059,1322 6.915,1323 88.91,1324 88.91,1325 17,1326 12.415,1327 3.7,1328 3.17,1329 36.646,1330 71,1331 84,1332 0.255,1333 166.338,1334 282.79,1335 397.625,1336 8339,1338 16.397,1339 0.713,1340 0.581,1341 16.397,1342 13.359,1343 11.113,1344 0.445,1345 0.311,1346 7.64,1347 10.602,1348 7.414,1349 6.159,1350 11.113,1351 7.771,1352 9.789,1353 0.28,1354 0.173,1355 9.789,1356 6.056,1357 8.578,1358 0.179,1359 0.097,1360 8.578,1361 4.666,1362 7.119,1363 0.115,1364 0.053,1365 7.119,1366 3.256,1367 5.314,1368 0.072,1369 0.03,1370 5.314,1371 2.188,1372 0.387,1373 70.171,1374 0.247,1375 22.155,1376 0.736,1377 120,1378 352.294,1379 133.066,1380 343.07,1381 463.41,1382 320,1383 143,1384 336.58,1385 157.178,1386 341.037,1387 495.21,1388 319,1389 5.5}
{0 CHEMBL243088,1 1.681,2 9.667,3 3.549,4 12.593,5 88.407,6 8.483,7 0.692,8 3.77,9 3.873,10 3.421,11 3.296,12 5.077,13 3.318,14 4.178,15 4.301,16 3.759,17 3.63,18 5.594,19 3.631,20 4.425,21 4.606,22 3.758,23 3.696,24 5.656,25 3.684,26 4.429,27 4.628,28 3.711,29 3.604,30 5.738,31 3.586,32 4.376,33 4.576,34 3.606,35 3.556,36 5.648,37 3.551,38 4.272,39 4.464,40 3.611,41 3.531,42 5.621,43 3.507,44 4.215,45 4.412,46 3.448,47 3.424,48 5.461,49 3.399,50 4.117,51 4.331,52 3.268,53 3.254,54 5.442,55 3.198,56 0.137,57 0.573,58 6.105,59 2.97,60 15.153,61 3.186,62 0.279,63 0.87,64 9.414,65 4.754,66 31.672,67 5.543,68 0.342,69 1.037,70 15.205,71 5.625,72 35.981,73 6.815,74 0.486,75 0.995,76 16.72,77 5.825,78 41.225,79 7.403,80 0.488,81 0.933,82 16.541,83 5.049,84 61.567,85 5.829,86 0.41,87 0.858,88 13.942,89 5.119,90 44.855,91 6.646,92 0.301,93 0.807,94 13.032,95 4.587,96 30.568,97 5.61,98 0.459,99 0.677,100 13.201,101 4.456,102 45.565,103 5.861,104 11,105 35,106 0.298,107 0.586,108 0.747,109 0.898,110 0.93,111 0.93,112 3.228,113 0.819,114 -3.75,115 -3.71,116 -3.53,119 44.7,142 9,143 1,144 3,145 1,147 1,150 1,158 1,167 1,170 1,172 6,173 1,174 1,175 3,178 4,180 8,183 7,184 1,188 1,193 5,194 1,196 3,197 2,200 8,203 2,204 3,205 6,208 2,209 1,213 5,214 1,218 1,221 2,222 1,224 1,225 6,228 3,230 5,233 3,238 2,239 1,243 3,244 1,246 1,249 1,250 1,253 2,254 2,255 3,258 5,272 6,273 2,276 808,277 16.154,278 16.154,279 16.154,280 16.154,281 16.154,282 13.759,283 23.408,284 9.745,285 16.447,286 12.878,287 12.878,288 12.878,289 12.878,290 12.878,291 9.383,292 42.894,293 4.664,294 13.391,295 3.567,296 1.941,297 1.034,298 0.178,301 3.911,304 1,305 1,306 1,307 492,308 2.828,312 238.402,319 1.639,320 28.513,321 1,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 53,332 232,333 4.338,334 3.608,335 6.417,336 3.969,337 2.986,338 3.951,339 1.437,340 9.816,341 2.933,342 4.128,343 2.956,344 5.712,345 3.707,346 2.763,347 3.729,348 0.4,349 8.083,350 2.614,351 3.962,352 2.808,353 5.448,354 3.501,355 2.548,356 3.566,357 0.4,358 7.264,359 2.413,360 3.464,361 2.574,362 5.07,363 3.092,364 2.151,365 2.722,367 6.101,368 2.016,369 3.315,370 2.271,371 4.769,372 2.884,373 1.906,374 2.562,376 5.134,377 1.849,378 3.145,379 1.922,380 4.591,381 2.693,382 1.739,383 2.384,385 4.723,386 1.649,387 2.861,388 1.468,389 3.724,390 2.399,391 1.414,392 2.015,394 3.133,395 1.391,396 2.676,397 1.311,398 3.499,399 2.182,400 1.205,401 1.758,403 2.64,404 1.176,405 2.636,406 1.242,407 3.474,408 2.109,409 1.154,410 1.701,412 2.558,413 1.097,414 2.532,415 1.175,416 3.466,417 2.005,418 1,419 1.475,421 2.304,422 0.994,423 1.373,424 0.472,425 2.935,426 1.016,427 0.069,428 0.086,430 0.18,431 0.065,432 1.29,433 0.224,434 2.821,435 0.94,441 0.918,442 0.151,443 2,444 0.512,445 -0.414,446 -0.518,448 -0.932,449 -0.377,450 0.82,451 -0.057,452 2,453 0.376,454 -0.59,455 -0.766,457 -1.447,458 -0.561,459 0.673,460 -0.46,461 2,462 0.203,463 -0.754,464 -1.005,466 -1.972,467 -0.713,468 11.1,469 0.463,470 0.558,471 0.023,472 36.75,473 1.531,474 21,475 0.875,476 15.75,477 0.656,478 13.474,479 0.561,480 24.9,481 0.655,482 26.561,483 1.107,484 7.588,485 0.316,486 4.026,487 0.168,488 0.09,490 0.315,496 0.97,497 1.177,498 0.748,499 0.877,500 0.874,501 0.775,502 0.494,503 1.141,504 0.775,505 1.136,506 0.439,507 1.051,508 1.014,509 1.271,510 1.023,511 1.088,512 0.858,513 1.047,514 0.865,515 1.069,516 0.948,517 1.035,518 0.855,519 1.016,520 1.459,521 0.914,522 1.154,523 0.75,524 1.361,525 0.83,526 0.672,527 1.047,528 0.845,529 0.952,530 0.678,531 0.944,532 1.079,533 1.149,534 1.109,535 1.095,536 0.95,537 1.084,538 0.758,539 0.823,540 1.02,541 0.933,542 0.876,543 1.025,544 5,545 0.099,546 1.778,547 1.75,548 0.987,549 0.597,550 0.383,551 0.293,552 0.176,553 0.109,554 6448,555 21420,556 2.064,557 36.8,559 9,561 1,562 4,567 1.668,568 1.946,569 3.281,570 1.819,572 1,574 1,577 63.877,578 1.681,579 3.307,580 4.214,581 5.07,582 5.248,583 5.248,584 2.669,585 4.022,586 4.56,587 3.464,588 956.017,589 7.862,590 11479.2,591 1,592 1,593 1,594 1,595 199.421,596 1.347,597 4.522,598 0.192,599 0.006,600 0.051,601 0.051,602 0.032,603 0.021,604 0.013,605 0.012,606 0.009,607 0.007,608 0.395,609 0.17,610 1,611 0.757,612 114.807,613 -0.189,614 -0.056,615 -0.027,616 0.089,617 -0.188,618 0.076,619 0.225,620 -0.029,621 -0.021,622 -0.178,623 0.195,624 -0.176,625 -0.172,626 -0.224,627 -0.116,628 -0.15,629 -0.108,630 -0.12,631 0.095,632 -0.063,633 0.039,634 -0.097,635 0.048,636 -0.061,637 -0.352,638 0.107,639 -0.151,640 0.17,641 -0.269,642 0.093,643 0.18,644 -0.038,645 0.106,646 0.01,647 0.134,648 0.027,649 -0.186,650 -0.13,651 -0.153,652 -0.156,653 -0.115,654 -0.135,655 0.248,656 0.128,657 0.024,658 0.034,659 0.11,660 -0.022,661 2.69,662 4.243,663 0.75,664 20,665 1.021,666 1.124,667 2.515,668 6.326,669 0.689,670 3.296,671 3.584,672 3.784,673 4.025,674 4.19,675 4.159,676 4.19,677 4.317,678 4.344,679 4.431,680 6.097,681 0.681,682 322.35,683 3.296,684 4.812,685 5.631,686 6.488,687 7.321,688 8.181,689 9.018,690 9.879,691 10.718,692 11.579,693 10.5,701 2,703 2,709 10,710 2,714 6,716 18,725 1,728 2,732 1,735 38,737 19,738 2,739 26,741 40,742 17,743 16,744 4,745 8,746 1,748 3,749 3,762 17,767 1,772 1,776 1,779 1,780 1,783 14,784 7,785 4,786 7,792 4,797 1,798 3,810 1,816 3,841 1,843 3,851 24,857 2,860 2,874 7.9,876 2,877 1,881 12.333,882 6.55,883 5.306,884 1.983,886 3.471,887 1.499,888 0.951,889 4.702,890 10.426,891 3.611,892 4.197,893 4.712,894 5.261,895 5.754,896 5.821,897 6.111,898 6.534,899 6.859,900 7.229,901 1,902 34,903 8.791,905 3.725,906 8.069,907 16.107,909 12.669,911 2.569,912 61.667,916 117.711,917 108.17,918 69.593,920 110.512,923 108.17,924 228.223,925 69.593,928 85.286,929 156.764,930 53.768,931 4.227,932 105.94,934 117.711,935 177.762,936 110.512,939 117.711,940 110.512,943 46.968,944 97.223,945 33.571,947 117.711,948 180.104,949 108.17,952 117.711,953 13.836,954 94.334,955 36.022,956 144.083,957 117.711,958 180.104,959 108.17,961 0.573,962 0.321,963 0.176,964 0.093,965 16,966 7,967 0.125,968 5,970 1,971 3.654,972 187.151,974 18,975 106.039,981 15.929,982 7.085,983 4.085,985 180.104,986 16.314,987 8.389,991 2.119,993 121.388,994 405.985,995 36,1000 11.243,1004 -1.023,1007 38.807,1008 42.697,1009 0.32,1010 0.63,1011 0.803,1012 0.966,1013 1,1014 1,1015 4.808,1016 1.205,1017 5.595,1018 3.133,1019 4.263,1020 4.883,1021 1.752,1022 6.34,1023 4.185,1024 6.008,1025 1.154,1026 7.109,1027 2.64,1028 3.761,1029 4.543,1031 7.086,1032 3.627,1033 7.294,1034 1,1035 8.719,1036 2.558,1037 5.79,1038 7.027,1039 2.264,1040 10.154,1041 5.636,1042 8.611,1043 0.069,1044 10.387,1045 2.304,1046 6.066,1047 7.44,1049 11.729,1050 5.864,1051 9.954,1053 12.091,1054 0.18,1055 7.575,1056 9.413,1057 2.923,1058 14.294,1059 7.355,1060 11.317,1061 -0.414,1062 13.822,1064 8.238,1065 10.213,1067 16.244,1068 7.982,1069 12.696,1070 -0.59,1071 15.573,1072 -0.932,1073 9.508,1074 11.927,1075 3.619,1076 18.62,1077 9.234,1078 2.986,1079 -0.754,1080 17.34,1081 -1.447,1082 10.37,1083 12.946,1085 20.745,1086 10.07,1087 2.763,1088 9.816,1089 19.12,1090 -1.972,1091 11.529,1092 14.513,1093 4.33,1094 23.051,1095 11.21,1096 2.548,1097 8.083,1098 20.911,1099 3.951,1100 12.493,1101 15.662,1103 25.257,1104 12.154,1105 2.151,1106 7.264,1107 22.711,1108 3.729,1109 13.601,1110 17.143,1111 5.047,1112 27.54,1113 13.245,1114 1.906,1115 6.101,1116 24.518,1117 3.566,1118 14.618,1119 18.369,1121 29.783,1122 14.244,1123 1.739,1124 5.134,1125 26.333,1126 2.722,1127 15.704,1128 19.798,1129 5.769,1130 32.06,1131 15.315,1132 1.414,1133 4.723,1134 28.153,1135 2.562,1136 16.749,1137 21.074,1139 34.322,1140 16.344,1141 6283,1142 11571,1143 17.394,1144 26.193,1145 38.423,1146 38.784,1147 39.232,1148 37.961,1149 37.873,1150 51.896,1151 4.473,1152 103.873,1153 36.397,1154 5.139,1155 5.608,1156 6.099,1157 5.042,1158 4.986,1159 6.951,1160 2.873,1161 16.379,1162 4.933,1163 10.926,1164 1.478,1165 1.492,1166 1.509,1167 1.46,1168 1.457,1169 1.996,1170 0.172,1171 3.995,1172 1.4,1173 3.982,1174 4.021,1175 3.938,1176 3.879,1177 7.475,1178 3.886,1179 3.898,1180 3.925,1181 3.845,1182 3.818,1183 6.471,1184 3.82,1185 3.757,1186 3.8,1187 3.71,1188 3.607,1189 6.351,1190 3.629,1191 3.279,1192 3.268,1193 3.226,1194 3.024,1195 5.026,1196 3.066,1197 3.129,1198 3.203,1199 3.046,1200 2.911,1201 4.706,1202 2.935,1203 2.987,1204 3.063,1205 2.88,1206 2.796,1207 4.621,1208 2.803,1209 2.922,1210 2.967,1211 2.787,1212 2.745,1213 4.099,1214 2.747,1215 2.709,1216 2.779,1217 2.563,1218 2.49,1219 3.962,1220 2.505,1221 0.167,1222 0.139,1223 0.247,1224 0.153,1225 0.115,1226 4.338,1227 0.152,1228 3.608,1229 0.055,1230 6.417,1231 0.378,1232 3.969,1233 0.113,1234 2.986,1235 3.951,1236 1.437,1237 9.816,1238 2.933,1239 1.918,1240 1.892,1241 2.012,1242 2.049,1243 1.094,1244 2.035,1245 1.879,1246 1.854,1247 1.985,1248 1.985,1249 1.051,1250 1.986,1251 1.699,1252 1.652,1253 1.798,1254 1.864,1255 0.777,1256 1.851,1257 1.124,1258 1.122,1259 1.258,1260 1.429,1261 0.275,1262 1.361,1263 1.047,1264 0.983,1265 1.237,1266 1.317,1267 0.231,1268 1.296,1269 0.94,1270 0.873,1271 1.18,1272 1.189,1273 0.221,1274 1.186,1275 0.883,1276 0.838,1277 1.132,1278 1.129,1279 0.137,1280 1.13,1281 0.653,1282 0.588,1283 0.926,1284 0.936,1286 0.956,1287 3.97,1289 5.263,1291 6.746,1293 8.316,1295 9.926,1302 18.685,1305 5.94,1314 25.864,1315 63.877,1316 125.673,1317 160.137,1318 192.666,1319 199.421,1320 199.421,1321 39.836,1322 6.955,1323 107.37,1324 107.37,1325 18,1326 12.133,1327 4.322,1328 3.459,1329 39.296,1330 88,1331 76,1332 0.218,1333 161.552,1334 276.85,1335 385.947,1336 9740,1338 16.941,1339 0.706,1340 0.52,1341 16.941,1342 12.471,1343 11.614,1344 0.447,1345 0.273,1346 6.992,1347 11.145,1348 6.887,1349 5.734,1350 11.614,1351 7.101,1352 10.46,1353 0.299,1354 0.14,1355 10.46,1356 4.917,1357 8.063,1358 0.188,1359 0.074,1360 8.063,1361 3.178,1362 6.91,1363 0.126,1364 0.039,1365 6.91,1366 2.118,1367 5.29,1368 0.081,1369 0.02,1370 5.29,1371 1.328,1372 0.343,1373 73.096,1374 0.24,1375 23.538,1376 0.594,1377 122,1378 409.991,1379 136.636,1380 399.648,1381 537.18,1382 370,1383 139,1384 392.486,1385 151.81,1386 396.938,1387 572.81,1388 373,1389 6.2}
{0 CHEMBL243298,1 1.761,2 9.667,3 4.022,4 16.172,5 86.929,6 8.766,7 0.692,8 3.743,9 3.849,10 3.425,11 3.284,12 5.06,13 3.309,14 4.167,15 4.293,16 3.769,17 3.613,18 5.618,19 3.621,20 4.409,21 4.597,22 3.767,23 3.667,24 5.682,25 3.666,26 4.389,27 4.586,28 3.72,29 3.567,30 5.755,31 3.563,32 4.344,33 4.544,34 3.609,35 3.527,36 5.654,37 3.532,38 4.237,39 4.425,40 3.624,41 3.507,42 5.651,43 3.492,44 4.186,45 4.382,46 3.457,47 3.399,48 5.466,49 3.381,50 4.092,51 4.314,52 3.283,53 3.214,54 5.473,55 3.171,56 0.138,57 0.629,58 5.291,59 2.912,60 14.348,61 3.029,62 0.305,63 0.962,64 8.591,65 4.703,66 34.532,67 5.236,68 0.416,69 1.15,70 14.674,71 5.62,72 47.535,73 6.404,74 0.537,75 1.065,76 15.406,77 5.564,78 47.489,79 6.692,80 0.541,81 0.981,82 15.678,83 5.002,84 71.867,85 5.355,86 0.457,87 0.937,88 12.758,89 4.863,90 49.736,91 6.062,92 0.326,93 0.856,94 12.158,95 4.649,96 34.948,97 5.441,98 0.506,99 0.761,100 12.96,101 4.385,102 50.983,103 5.564,104 11,105 35,106 0.314,107 0.592,108 0.748,109 0.895,110 0.928,111 0.928,112 3.228,113 0.815,114 -4.62,115 -4.54,116 -4.27,119 45.9,142 9,143 1,144 3,145 1,147 1,150 1,158 1,167 1,170 1,172 6,173 1,174 1,175 3,178 4,180 6,183 7,184 1,188 1,193 4,194 1,196 3,197 2,200 8,203 2,204 2,205 5,208 2,209 1,213 5,214 1,218 1,221 2,222 1,224 1,225 6,228 1,230 5,233 3,238 2,239 1,243 3,244 1,246 1,249 1,250 1,253 2,254 1,255 2,258 5,272 6,273 2,276 808,277 16.154,278 16.154,279 16.154,280 16.154,281 16.154,282 13.759,283 22.879,284 9.745,285 16.469,286 12.878,287 12.878,288 12.878,289 12.878,290 12.878,291 9.383,292 41.975,293 4.664,294 13.434,295 3.448,296 1.885,297 1.008,298 0.183,301 3.911,304 1,305 1,306 1,307 492,308 2.828,312 238.402,319 1.639,320 31.561,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 53.5,332 232,333 4.338,334 3.608,335 6.417,336 3.969,337 2.986,338 3.951,339 1.437,340 9.816,341 2.933,342 4.128,343 3.012,344 5.712,345 3.704,346 2.763,347 3.729,348 0.4,349 8.083,350 2.602,351 3.962,352 2.879,353 5.448,354 3.496,355 2.548,356 3.566,357 0.4,358 7.264,359 2.404,360 3.464,361 2.657,362 5.07,363 3.087,364 2.151,365 2.722,367 6.101,368 2.003,369 3.315,370 2.332,371 4.769,372 2.879,373 1.906,374 2.562,376 5.134,377 1.836,378 3.145,379 1.96,380 4.591,381 2.688,382 1.739,383 2.384,385 4.723,386 1.635,387 2.861,388 1.47,389 3.724,390 2.399,391 1.414,392 2.015,394 3.133,395 1.39,396 2.676,397 1.312,398 3.499,399 2.179,400 1.205,401 1.758,403 2.64,404 1.171,405 2.636,406 1.26,407 3.474,408 2.109,409 1.154,410 1.701,412 2.558,413 1.097,414 2.532,415 1.178,416 3.466,417 2.005,418 1,419 1.475,421 2.304,422 0.994,423 1.373,424 0.472,425 2.935,426 1.016,427 0.069,428 0.086,430 0.18,431 0.065,432 1.29,433 0.226,434 2.821,435 0.94,441 0.918,442 0.202,443 2,444 0.481,445 -0.414,446 -0.518,448 -0.932,449 -0.355,450 0.82,451 0.142,452 2,453 0.375,454 -0.59,455 -0.766,457 -1.447,458 -0.56,459 0.673,460 -0.46,461 2,462 0.201,463 -0.754,464 -1.005,466 -1.972,467 -0.711,468 11.052,469 0.461,470 0.558,471 0.023,472 36.25,473 1.51,474 20.5,475 0.854,476 15.75,477 0.656,478 13.674,479 0.57,480 24.948,481 0.674,482 26.361,483 1.098,484 7.551,485 0.315,486 4.063,487 0.169,488 0.086,490 0.317,494 1,496 0.771,497 1.062,498 0.68,499 0.902,500 0.678,501 0.789,502 0.519,503 1.061,504 0.757,505 1.124,506 0.474,507 1.051,508 1.032,509 1.187,510 1.029,511 1.058,512 0.903,513 1.027,514 0.862,515 0.949,516 0.959,517 1.025,518 0.855,519 1.022,520 1.373,521 0.865,522 1.162,523 0.741,524 1.281,525 0.825,526 0.633,527 0.832,528 0.846,529 0.951,530 0.645,531 0.967,532 0.966,533 1.087,534 1.056,535 1.124,536 0.865,537 1.108,538 0.799,539 0.791,540 1.009,541 0.89,542 0.914,543 0.992,544 5,545 0.099,546 1.778,547 1.75,548 0.987,549 0.597,550 0.383,551 0.293,552 0.176,553 0.109,554 6448,555 22688,556 2.064,557 35.1,559 9,561 1,562 3,567 1.668,568 1.946,569 3.281,570 1.039,572 1,577 65.157,578 1.761,579 3.324,580 4.202,581 5.027,582 5.209,583 5.209,584 2.669,585 4.022,586 4.56,587 3.464,588 956.017,589 7.862,590 11479.2,592 1,593 1,594 1,595 192.75,596 1.347,597 4.522,598 0.192,599 0.006,600 0.051,601 0.051,602 0.032,603 0.021,604 0.013,605 0.012,606 0.009,607 0.007,608 0.395,609 0.17,610 1,611 0.757,612 114.807,613 -0.124,614 -0.082,615 -0.011,616 0.04,617 -0.119,618 0.052,619 0.176,620 -0.068,621 -0.024,622 -0.186,623 0.151,624 -0.188,625 -0.173,626 -0.175,627 -0.114,628 -0.124,629 -0.109,630 -0.096,631 0.068,632 -0.019,633 0.016,634 -0.097,635 0.022,636 -0.074,637 -0.329,638 0.071,639 -0.167,640 0.179,641 -0.255,642 0.104,643 0.176,644 0.066,645 0.082,646 -0.005,647 0.12,648 -0.006,649 -0.138,650 -0.202,651 -0.107,652 -0.181,653 -0.082,654 -0.139,655 0.212,656 0.146,657 0.064,658 0.081,659 0.081,660 0.029,661 2.703,662 5.208,663 0.75,664 20,665 1.027,666 1.13,667 3.394,668 11.517,669 0.694,670 3.296,671 3.584,672 3.784,673 4.025,674 4.19,675 4.159,676 4.19,677 4.317,678 4.344,679 4.431,680 6.097,681 0.69,682 324.34,683 3.296,684 4.812,685 5.631,686 6.488,687 7.321,688 8.181,689 9.018,690 9.879,691 10.718,692 11.579,693 10.8,701 2,703 2,709 10,710 2,714 6,716 18,725 1,728 2,734 1,735 37,737 19,738 2,739 26,741 39,742 17,743 16,744 4,745 8,746 1,748 3,749 3,762 17,767 1,772 1,776 1,780 1,781 1,783 13,784 7,785 3,786 7,792 4,797 1,798 2,810 1,816 3,841 1,843 3,849 1,851 24,857 1,860 2,873 1,874 5.4,876 1,877 1,881 12.333,882 6.493,883 5.306,884 1.969,886 3.471,887 1.499,888 0.979,889 4.684,890 10.426,891 3.611,892 4.197,893 4.712,894 5.261,895 5.754,896 5.821,897 6.111,898 6.534,899 6.859,900 7.229,901 1,902 34,903 8.818,905 3.762,906 8.153,907 16.053,909 12.626,911 2.653,912 63.667,916 117.711,917 117.291,918 69.593,920 67.828,921 14.96,923 117.291,924 185.539,925 84.553,928 85.286,929 114.08,930 62.889,931 19.187,932 105.94,934 117.711,935 186.883,936 82.788,939 132.671,940 67.828,943 46.968,944 106.344,945 33.571,947 132.671,948 137.421,949 117.291,952 117.711,953 22.957,954 94.334,955 36.022,956 116.359,957 117.711,958 152.381,959 117.291,961 0.573,962 0.321,963 0.176,964 0.093,965 16,966 7,967 0.128,968 5,970 1,971 3.654,972 187.151,974 18,975 108.039,981 15.904,982 7.068,983 4.073,985 152.381,986 15.553,987 8.307,991 1.37,993 78.705,994 387.383,995 36,1000 11.231,1004 -1.037,1007 37.993,1008 41.828,1009 0.338,1010 0.638,1011 0.807,1012 0.965,1013 1,1014 1,1015 4.808,1016 1.205,1017 5.595,1018 3.133,1019 4.263,1020 4.883,1021 1.752,1022 6.34,1023 4.179,1024 6.008,1025 1.154,1026 7.109,1027 2.64,1028 3.761,1029 4.543,1031 7.086,1032 3.611,1033 7.294,1034 1,1035 8.719,1036 2.558,1037 5.79,1038 7.027,1039 2.264,1040 10.154,1041 5.626,1042 8.611,1043 0.069,1044 10.387,1045 2.304,1046 6.066,1047 7.44,1049 11.729,1050 5.847,1051 9.954,1053 12.091,1054 0.18,1055 7.575,1056 9.413,1057 2.923,1058 14.294,1059 7.343,1060 11.317,1061 -0.414,1062 13.822,1064 8.238,1065 10.213,1067 16.244,1068 7.966,1069 12.696,1070 -0.59,1071 15.573,1072 -0.932,1073 9.508,1074 11.927,1075 3.619,1076 18.62,1077 9.221,1078 2.986,1079 -0.754,1080 17.34,1081 -1.447,1082 10.37,1083 12.946,1085 20.745,1086 10.054,1087 2.763,1088 9.816,1089 19.12,1090 -1.972,1091 11.529,1092 14.513,1093 4.33,1094 23.051,1095 11.196,1096 2.548,1097 8.083,1098 20.911,1099 3.951,1100 12.493,1101 15.662,1103 25.257,1104 12.139,1105 2.151,1106 7.264,1107 22.711,1108 3.729,1109 13.601,1110 17.143,1111 5.047,1112 27.54,1113 13.231,1114 1.906,1115 6.101,1116 24.518,1117 3.566,1118 14.618,1119 18.369,1121 29.783,1122 14.231,1123 1.739,1124 5.134,1125 26.333,1126 2.722,1127 15.704,1128 19.798,1129 5.769,1130 32.06,1131 15.302,1132 1.414,1133 4.723,1134 28.153,1135 2.562,1136 16.749,1137 21.074,1139 34.322,1140 16.332,1141 6283,1142 11907,1143 17.394,1144 25.676,1145 38.423,1146 38.892,1147 39.232,1148 37.994,1149 37.873,1150 51.896,1151 4.473,1152 103.873,1153 36.262,1154 5.139,1155 5.608,1156 6.099,1157 5.042,1158 4.986,1159 6.951,1160 2.873,1161 16.379,1162 4.933,1163 10.926,1164 1.478,1165 1.496,1166 1.509,1167 1.461,1168 1.457,1169 1.996,1170 0.172,1171 3.995,1172 1.395,1173 3.983,1174 4.023,1175 3.94,1176 3.879,1177 8.201,1178 3.886,1179 3.901,1180 3.93,1181 3.852,1182 3.819,1183 7.475,1184 3.822,1185 3.758,1186 3.803,1187 3.714,1188 3.607,1189 6.351,1190 3.629,1191 3.279,1192 3.268,1193 3.226,1194 3.024,1195 5.026,1196 3.066,1197 3.125,1198 3.203,1199 3.05,1200 2.909,1201 4.707,1202 2.933,1203 2.983,1204 3.062,1205 2.882,1206 2.795,1207 4.635,1208 2.801,1209 2.894,1210 2.954,1211 2.789,1212 2.733,1213 4.099,1214 2.733,1215 2.709,1216 2.779,1217 2.563,1218 2.489,1219 3.963,1220 2.504,1221 0.167,1222 0.139,1223 0.247,1224 0.153,1225 0.115,1226 4.338,1227 0.152,1228 3.608,1229 0.055,1230 6.417,1231 0.378,1232 3.969,1233 0.113,1234 2.986,1235 3.951,1236 1.437,1237 9.816,1238 2.933,1239 1.918,1240 1.892,1241 2.012,1242 2.049,1243 1.094,1244 2.035,1245 1.88,1246 1.851,1247 1.982,1248 1.986,1249 1.049,1250 1.986,1251 1.698,1252 1.652,1253 1.797,1254 1.864,1255 0.777,1256 1.85,1257 1.124,1258 1.122,1259 1.258,1260 1.429,1261 0.275,1262 1.361,1263 1.045,1264 0.977,1265 1.236,1266 1.31,1267 0.231,1268 1.291,1269 0.939,1270 0.871,1271 1.18,1272 1.182,1273 0.221,1274 1.184,1275 0.858,1276 0.803,1277 1.094,1278 1.068,1279 0.129,1280 1.076,1281 0.653,1282 0.587,1283 0.926,1284 0.936,1286 0.956,1287 3.97,1289 5.263,1291 6.746,1293 8.316,1295 9.926,1299 13.208,1302 9.198,1305 5.835,1314 25.533,1315 65.157,1316 123.001,1317 155.466,1318 185.995,1319 192.75,1320 192.75,1321 42.985,1322 6.955,1323 87.14,1324 87.14,1325 18,1326 12.133,1327 4.322,1328 3.459,1329 39.296,1330 88,1331 76,1332 0.218,1333 158.754,1334 274.13,1335 379.12,1336 9740,1337 2.7,1338 16.941,1339 0.706,1340 0.517,1341 16.071,1342 12.401,1343 11.614,1344 0.447,1345 0.272,1346 6.947,1347 11.098,1348 6.854,1349 5.695,1350 11.22,1351 7.066,1352 10.46,1353 0.299,1354 0.139,1355 9.827,1356 4.877,1357 8.063,1358 0.188,1359 0.073,1360 7.743,1361 3.157,1362 6.91,1363 0.126,1364 0.038,1365 6.56,1366 2.1,1367 5.29,1368 0.081,1369 0.02,1370 5.154,1371 1.318,1372 0.343,1373 73.385,1374 0.24,1375 23.538,1376 0.594,1377 122,1378 463.952,1379 138.363,1380 425.393,1381 564.86,1382 394,1383 139,1384 406.789,1385 153.059,1386 405.275,1387 585.99,1388 381,1389 5.5}
{0 CHEMBL244378,1 1.675,2 10.462,3 3.597,4 12.938,5 96.478,6 8.659,7 0.759,8 3.84,9 3.955,10 3.525,11 3.376,12 5.114,13 3.401,14 4.271,15 4.403,16 3.875,17 3.738,18 5.634,19 3.744,20 4.479,21 4.666,22 3.848,23 3.793,24 5.659,25 3.777,26 4.488,27 4.687,28 3.791,29 3.701,30 5.751,31 3.68,32 4.443,33 4.66,34 3.67,35 3.619,36 5.659,37 3.605,38 4.304,39 4.498,40 3.663,41 3.585,42 5.59,43 3.566,44 4.272,45 4.473,46 3.582,47 3.502,48 5.495,49 3.483,50 4.186,51 4.41,52 3.411,53 3.365,54 5.454,55 3.326,56 0.139,57 0.662,58 6.045,59 2.928,60 11.241,61 3.161,62 0.297,63 1.008,64 9.75,65 4.763,66 34.281,67 5.53,68 0.306,69 1.152,70 15.084,71 5.774,72 29.333,73 7.039,74 0.452,75 1.111,76 16.411,77 5.944,78 35.598,79 7.363,80 0.481,81 1.021,82 17.658,83 5.485,84 55.218,85 6.513,86 0.38,87 0.935,88 13.612,89 5.017,90 38.722,91 6.248,92 0.302,93 0.897,94 13.339,95 4.889,96 28.809,97 6.061,98 0.459,99 0.784,100 13.66,101 4.337,102 44.816,103 5.657,104 6,105 40,106 0.29,107 0.627,108 0.791,109 0.903,110 0.921,111 0.921,112 3.304,113 0.809,114 -3.97,115 -3.93,116 -3.72,119 45,142 8,143 2,144 2,145 1,146 1,147 1,150 1,151 1,158 1,167 1,168 1,170 1,172 6,173 1,174 1,175 5,178 4,180 7,183 7,184 1,188 2,193 6,194 1,196 3,197 2,200 9,203 3,204 2,205 6,208 2,209 1,213 5,214 1,217 1,218 1,221 2,222 1,224 3,225 6,228 1,230 5,233 3,238 2,239 1,241 2,243 3,244 1,246 1,249 1,250 2,253 3,254 1,255 2,258 5,268 1,269 1,272 6,273 2,276 954,277 17.809,278 17.809,279 17.809,280 17.809,281 17.809,282 15.053,283 21.251,284 10.618,285 18.125,286 14.366,287 14.366,288 14.366,289 14.366,290 14.366,291 10.283,292 40.027,293 5.068,294 14.898,295 3.647,296 1.699,297 0.75,298 0.1,301 4.005,304 1,305 1,306 1,307 598,308 2.915,311 62.342,312 233.196,315 106.35,319 1.734,320 25.488,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 57,332 272,333 4.428,334 3.608,335 6.417,336 3.97,337 2.988,338 4.367,339 1.437,340 9.816,341 2.933,342 4.337,343 3.006,344 6.196,345 3.927,346 2.948,347 3.95,348 0.4,349 9.272,350 2.886,351 4.065,352 2.879,353 5.668,354 3.611,355 2.68,356 3.661,357 0.4,358 7.932,359 2.489,360 3.654,361 2.662,362 5.314,363 3.264,364 2.308,365 3.057,367 6.841,368 2.205,369 3.387,370 2.338,371 4.947,372 2.959,373 1.99,374 2.634,376 5.672,377 1.918,378 3.215,379 1.962,380 4.679,381 2.751,382 1.786,383 2.473,385 4.816,386 1.71,387 3.034,388 1.534,389 4.361,390 2.515,391 1.534,392 2.301,394 4.202,395 1.502,396 2.863,397 1.468,398 3.724,399 2.402,400 1.416,401 2.018,403 3.134,404 1.394,405 2.661,406 1.311,407 3.497,408 2.127,409 1.186,410 1.736,412 2.622,413 1.113,414 2.581,415 1.206,416 3.466,417 2.049,418 1.092,419 1.621,421 2.436,422 1.042,423 2.532,424 1.102,425 3.445,426 2.005,427 1,428 1.475,430 2.304,431 0.994,432 1.956,433 0.525,434 3.089,435 1.464,436 0.488,437 0.707,439 1.184,440 0.475,441 1.372,442 0.472,443 2.912,444 1.016,445 0.069,446 0.086,448 0.179,449 0.065,450 1.258,451 0.221,452 2.82,453 0.882,454 -0.052,455 -0.066,457 -0.143,458 -0.048,459 0.835,460 0.075,461 2.286,462 0.382,463 -0.584,464 -0.764,466 -1.425,467 -0.556,468 12.067,469 0.464,470 0.571,471 0.022,472 40,473 1.538,474 22.5,475 0.865,476 17.5,477 0.673,478 15.199,479 0.585,480 26.333,481 0.658,482 28.689,483 1.103,484 8.175,485 0.314,486 4.511,487 0.174,488 0.055,490 0.331,496 0.904,497 1.13,498 0.702,499 0.853,500 0.773,501 0.749,502 0.543,503 1.13,504 0.781,505 1.061,506 0.422,507 0.988,508 0.963,509 1.245,510 1.001,511 1.096,512 0.77,513 1.049,514 0.943,515 1.087,516 1.042,517 1.115,518 0.912,519 1.103,520 1.436,521 0.886,522 1.102,523 0.782,524 1.41,525 0.843,526 0.859,527 0.974,528 0.937,529 0.951,530 0.827,531 0.958,532 1.005,533 1.169,534 0.987,535 1.115,536 0.963,537 1.06,538 0.864,539 0.756,540 1.024,541 0.795,542 0.901,543 0.908,544 5,545 0.104,546 2.222,547 1.757,548 1.053,549 0.622,550 0.409,551 0.306,552 0.201,553 0.111,554 8730,555 27076,556 2.148,557 35,559 8,560 1,561 1,562 4,567 1.688,568 2.053,569 3.384,570 1.773,572 1,574 1,577 67.006,578 1.675,579 3.623,580 4.572,581 5.222,582 5.322,583 5.322,584 2.749,585 3.95,586 4.676,587 3.574,588 1161.64,589 8.087,590 14791.2,591 1,592 1,593 1,594 1,595 212.877,596 1.239,597 4.65,598 0.172,599 0.006,600 0.056,601 0.046,602 0.031,603 0.02,604 0.013,605 0.011,606 0.009,607 0.006,608 0.37,609 0.17,610 1,611 0.646,612 128.173,613 -0.129,614 -0.002,615 0.001,616 0.078,617 -0.145,618 0.071,619 0.209,620 -0.027,621 -0.032,622 -0.125,623 0.212,624 -0.136,625 -0.158,626 -0.218,627 -0.1,628 -0.147,629 -0.072,630 -0.111,631 0.051,632 -0.092,633 -0.067,634 -0.167,635 0.028,636 -0.152,637 -0.289,638 0.081,639 -0.055,640 0.172,641 -0.227,642 0.129,643 0.071,644 0.027,645 0.017,646 0.01,647 0.062,649 -0.062,650 -0.188,651 -0.01,652 -0.154,653 -0.061,654 -0.09,655 0.178,656 0.216,657 0.028,658 0.163,659 0.096,660 0.084,661 2.673,662 4.311,663 0.808,664 22.515,665 1.02,666 1.127,667 2.744,668 7.528,669 0.7,670 3.401,671 3.714,672 3.97,673 4.234,674 4.394,675 4.419,676 4.522,677 4.654,678 4.654,679 4.771,680 6.523,681 0.692,682 346.38,683 3.401,684 4.934,685 5.778,686 6.648,687 7.503,688 8.375,689 9.233,690 10.106,691 10.965,692 11.838,693 15,701 3,703 3,708 2,709 10,710 3,711 1,714 5,716 22,725 1,728 2,735 40,737 23,738 2,739 29,741 43,742 18,743 17,744 5,745 7,746 1,748 4,749 5,762 18,767 1,772 1,776 1,779 1,780 1,783 14,784 7,785 4,786 8,792 6,797 0.75,798 2,807 1,810 1,815 1,816 3,819 1,841 1,843 3,851 26,857 1,860 2,874 5,876 1,877 1,881 12.667,882 7.05,883 5.667,884 2.151,886 4.4,887 1.585,888 1.017,889 4.314,890 11.922,891 3.738,892 4.373,893 4.969,894 5.572,895 6.059,896 6.286,897 6.678,898 7.107,899 7.284,900 7.712,901 0.857,902 38,903 9.521,905 4.087,906 7.917,907 17.683,909 14.26,911 2.417,912 62.833,915 1,916 117.711,917 112.458,918 102.919,920 67.828,923 112.458,924 185.539,925 102.919,928 84.857,929 130.743,930 75.148,931 15.998,932 94.169,934 117.711,935 215.376,936 67.828,939 117.711,940 67.828,943 65.775,944 99.367,945 50.234,947 117.711,948 170.747,949 112.458,952 117.711,953 18.553,954 93.905,955 52.685,956 118.062,957 117.711,958 170.747,959 112.458,961 0.578,962 0.334,963 0.186,964 0.095,965 20,966 8,967 0.116,968 5,969 1,970 1.095,971 3.909,972 217.337,973 0.095,974 21,975 122.211,981 16.21,982 6.92,983 3.569,984 1.844,985 154.084,986 17.451,987 12.719,988 2.813,991 2.301,993 95.368,994 400.916,995 41,1000 11.311,1004 -1.007,1007 40.8,1008 45.069,1009 0.315,1010 0.681,1011 0.859,1012 0.981,1013 1,1014 1,1015 4.945,1016 1.416,1017 5.746,1018 4.202,1019 4.394,1020 5.059,1021 1.752,1022 6.524,1023 4.324,1024 6.16,1025 1.186,1026 7.279,1027 3.134,1028 3.892,1029 4.796,1031 7.326,1032 3.789,1033 7.461,1034 1.092,1035 8.908,1036 2.622,1037 5.953,1038 7.293,1039 2.264,1040 10.408,1041 5.817,1042 8.799,1043 1,1044 10.596,1045 2.436,1046 6.275,1047 7.872,1049 12.043,1050 6.113,1051 10.166,1052 0.488,1053 12.321,1054 2.304,1055 7.782,1056 9.806,1057 2.923,1058 14.606,1059 7.591,1060 11.556,1061 0.069,1062 14.072,1063 1.184,1064 8.494,1065 10.802,1067 16.59,1068 8.285,1069 12.963,1070 -0.052,1071 15.842,1072 0.179,1073 9.762,1074 12.482,1075 3.619,1076 18.965,1077 9.527,1078 2.988,1079 -0.584,1080 17.626,1081 -0.143,1082 10.664,1083 13.695,1085 21.102,1086 10.413,1087 2.948,1088 9.816,1089 19.42,1090 -1.425,1091 11.824,1092 15.253,1093 4.33,1094 23.405,1095 11.552,1096 2.68,1097 9.272,1098 21.223,1099 4.367,1100 12.819,1101 16.58,1103 25.61,1104 12.531,1105 2.308,1106 7.932,1107 23.033,1108 3.95,1109 13.932,1110 18.08,1111 5.047,1112 27.887,1113 13.625,1114 1.99,1115 6.841,1116 24.849,1117 3.661,1118 14.971,1119 19.467,1121 30.123,1122 14.648,1123 1.786,1124 5.672,1125 26.669,1126 3.057,1127 16.064,1128 20.942,1129 5.769,1130 32.391,1131 15.724,1132 1.534,1133 4.816,1134 28.493,1135 2.634,1136 17.125,1137 22.362,1139 34.643,1140 16.769,1141 8162,1142 14511,1143 19.879,1144 27.989,1145 43.496,1146 43.891,1147 43.827,1148 43.016,1149 42.97,1150 60.172,1151 4.473,1152 120.82,1153 41.451,1154 5.231,1155 5.608,1156 6.099,1157 5.044,1158 4.988,1159 7.367,1160 2.873,1161 16.379,1162 4.933,1163 9.412,1164 1.5,1165 1.513,1166 1.511,1167 1.483,1168 1.482,1169 2.075,1170 0.154,1171 4.166,1172 1.429,1173 4.095,1174 4.138,1175 4.057,1176 3.984,1177 7.475,1178 3.996,1179 3.955,1180 3.989,1181 3.911,1182 3.864,1183 6.351,1184 3.869,1185 3.789,1186 3.838,1187 3.748,1188 3.622,1189 5.112,1190 3.648,1191 3.416,1192 3.489,1193 3.34,1194 3.215,1195 5.001,1196 3.238,1197 3.279,1198 3.267,1199 3.226,1200 3.023,1201 4.703,1202 3.066,1203 3.049,1204 3.133,1205 2.957,1206 2.833,1207 4.41,1208 2.85,1209 2.949,1210 3.025,1211 2.831,1212 2.793,1213 4.09,1214 2.792,1215 2.805,1216 2.877,1217 2.687,1218 2.624,1219 3.919,1220 2.637,1221 0.153,1222 0.124,1223 0.221,1224 0.137,1225 0.103,1226 4.428,1227 0.151,1228 3.608,1229 0.05,1230 6.417,1231 0.338,1232 3.97,1233 0.101,1234 2.988,1235 4.367,1236 1.437,1237 9.816,1238 2.933,1239 1.934,1240 1.907,1241 2.017,1242 2.053,1243 1.136,1244 2.04,1245 1.908,1246 1.885,1247 2,1248 1.996,1249 1.093,1250 1.998,1251 1.705,1252 1.658,1253 1.8,1254 1.871,1255 0.782,1256 1.857,1257 1.363,1258 1.28,1259 1.526,1260 1.698,1261 0.496,1262 1.651,1263 1.124,1264 1.122,1265 1.255,1266 1.429,1267 0.238,1268 1.361,1269 1.053,1270 0.987,1271 1.205,1272 1.315,1273 0.225,1274 1.289,1275 0.947,1276 0.881,1277 1.163,1278 1.186,1279 0.204,1280 1.185,1281 0.822,1282 0.749,1283 1.101,1284 1.02,1285 0.11,1286 1.053,1287 4.078,1289 5.389,1290 2.398,1291 6.891,1292 4.595,1293 8.479,1294 6.581,1295 10.11,1302 9.268,1305 6.133,1314 27.665,1315 67.006,1316 144.903,1317 182.877,1318 208.877,1319 212.877,1320 212.877,1321 35.71,1322 7.522,1323 115.82,1324 115.82,1325 23,1326 12.381,1327 4.585,1328 3.7,1329 38.143,1330 104,1331 82,1332 0.18,1333 170.416,1334 281.46,1335 407.575,1336 20658,1338 17.933,1339 0.69,1340 0.518,1341 17.933,1342 13.471,1343 12.687,1344 0.437,1345 0.27,1346 7.693,1347 12.15,1348 7.587,1349 6.297,1350 12.687,1351 7.819,1352 11.453,1353 0.286,1354 0.138,1355 11.453,1356 5.525,1357 9.417,1358 0.181,1359 0.072,1360 9.417,1361 3.767,1362 8.151,1363 0.12,1364 0.037,1365 8.151,1366 2.546,1367 6.25,1368 0.078,1369 0.02,1370 6.25,1371 1.6,1372 0.285,1373 79.908,1374 0.224,1375 25.286,1376 0.484,1377 138,1378 439.819,1379 153.641,1380 431.184,1381 592.21,1382 402,1383 161,1384 445.625,1385 175.729,1386 450.185,1387 653.57,1388 424,1389 6.6}
{0 CHEMBL246970,1 1.684,2 12.107,3 3.864,4 14.93,5 113.914,6 7.641,7 0.4,8 4.062,9 4.201,10 3.635,11 3.555,12 5.166,13 3.529,14 4.614,15 4.801,16 3.979,17 3.977,18 5.745,19 3.907,20 4.937,21 5.182,22 4.075,23 4.132,24 5.863,25 4.019,26 5.025,27 5.3,28 3.972,29 4.04,30 6.099,31 3.909,32 4.87,33 5.163,34 3.768,35 3.895,36 5.763,37 3.775,38 4.702,39 4.954,40 3.881,41 3.807,42 5.782,43 3.75,44 4.668,45 4.888,46 3.896,47 3.839,48 5.784,49 3.794,50 4.744,51 4.97,52 3.834,53 3.808,54 5.911,55 3.753,56 0.164,57 0.809,58 11.149,59 4.396,60 13.843,61 6.304,62 0.343,63 1.251,64 21.513,65 8.16,66 55.054,67 11.524,68 0.35,69 1.502,70 33.931,71 11.077,72 43.65,73 16.382,74 0.894,75 1.447,76 42.327,77 10.31,78 102.67,79 16.244,80 0.505,81 1.259,82 34.788,83 9.043,84 60.777,85 14.238,86 0.578,87 1.156,88 27.611,89 6.59,90 67.086,91 10.685,92 0.416,93 1.159,94 24.834,95 6.658,96 53.134,97 10.013,98 0.618,99 1.115,100 29.454,101 6.998,102 82.861,103 10.298,104 21,105 40,106 0.282,107 0.612,108 0.763,109 0.813,110 0.838,111 0.864,112 3.374,113 0.987,114 -5.29,115 -5.17,116 -4.84,119 35.8,121 4,122 2,125 3,142 4,143 1,144 2,145 1,147 1,150 1,163 1,164 1,165 1,166 2,172 10,174 2,178 3,180 3,183 12,185 1,187 2,191 1,193 5,196 7,198 2,199 4,200 3,203 3,204 1,205 7,208 1,210 2,213 5,216 1,218 3,223 1,225 13,228 2,230 2,238 12,242 1,243 3,245 1,250 10,255 5,258 1,264 8,266 1,267 1,269 2,272 3,276 1442,277 18.938,278 18.938,279 18.938,280 18.938,281 18.938,282 17.106,283 22.364,284 11.26,285 19.345,286 14.716,287 14.716,288 14.716,289 14.716,290 14.716,291 12.017,292 32.577,293 5.249,294 15.445,295 4.044,296 2.068,297 1.17,298 0.868,299 0.717,300 0.566,301 4.057,302 1,305 1,306 1,307 714,308 3.391,312 304.974,319 1.98,320 32.083,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 61.333,332 339,333 4.418,334 3.804,335 6.424,336 3.951,337 3.005,338 4.138,339 2.612,340 9.847,341 2.842,342 4.162,343 3.204,344 6.024,345 3.739,346 2.796,347 3.774,348 0.657,349 8.559,350 2.634,351 3.784,352 2.854,353 5.482,354 3.64,355 2.645,356 3.262,357 0.4,358 7.339,359 2.611,360 3.65,361 2.657,362 5.342,363 3.262,364 2.347,365 2.666,367 6.866,368 2.173,369 3.325,370 2.405,371 5.116,372 3.187,373 2.201,374 2.516,376 6.286,377 2.14,378 3.143,379 2.187,380 4.792,381 2.772,382 1.832,383 2.166,385 5.046,386 1.717,387 2.916,388 1.979,389 4.202,390 2.499,391 1.533,392 2.087,394 3.887,395 1.483,396 2.846,397 1.554,398 3.71,399 2.343,400 1.414,401 1.98,403 2.988,404 1.235,405 2.733,406 1.519,407 3.604,408 2.135,409 1.177,410 1.795,412 2.769,413 1.124,414 2,415 1,416 3.414,417 2,418 1,419 1,421 2.275,422 1,423 1.915,424 1,425 3.259,426 1.726,427 0.783,428 0.838,430 1.734,431 0.736,432 1.878,433 0.957,434 3.188,435 1.603,436 0.665,437 0.804,439 1.546,440 0.617,441 1.489,442 0.884,443 2.74,444 1.371,445 0.436,446 0.453,448 0.71,449 0.407,450 1.207,451 0.68,452 2.505,453 0.818,454 -0.075,455 -0.092,457 -0.172,458 -0.058,459 1,460 0.413,461 2.381,462 0.634,463 -0.286,464 -0.319,466 -0.618,467 -0.249,468 13.281,469 0.474,470 0.609,471 0.022,472 34.25,473 1.223,474 16,475 0.571,476 18.25,477 0.652,478 25.128,479 0.897,480 31.719,481 0.598,482 24.527,483 0.876,484 6.254,485 0.223,486 7.309,487 0.261,488 0.134,490 0.294,496 0.586,497 1.356,498 0.689,499 1.016,500 0.576,501 0.977,502 0.53,503 1.137,504 0.765,505 1.089,506 0.4,507 1.086,508 0.582,509 1.225,510 0.802,511 1.129,512 0.455,513 1.071,514 0.789,515 0.948,516 1.043,517 0.991,518 0.711,519 1.009,520 0.853,521 0.91,522 0.787,523 0.812,524 0.75,525 0.804,526 1.012,527 0.993,528 0.743,529 0.772,530 0.979,531 0.793,532 1.355,533 1.103,534 0.888,535 0.898,536 1.308,537 0.929,538 1.805,539 0.997,540 1.08,541 0.887,542 2.027,543 0.95,544 5.5,545 0.182,546 3.111,547 1.313,548 1.378,549 0.882,550 0.449,551 0.441,552 0.311,553 0.282,554 10104,555 28512,556 2.034,557 47.2,558 8,559 10,561 1,562 4,564 2,567 1.711,568 1.909,569 3.539,570 1.733,572 1,577 89.263,578 1.684,579 3.66,580 4.558,581 4.86,582 5.011,583 5.162,584 3.071,585 4.111,586 4.776,587 3.726,588 1408.43,589 8.309,590 19367.2,592 1,594 1,595 303.58,596 1.379,597 4.74,598 0.183,599 0.007,600 0.078,601 0.032,602 0.041,603 0.028,604 0.013,605 0.013,606 0.01,607 0.01,608 0.416,610 1,611 0.845,612 142.607,613 0.102,614 -0.013,615 0.02,616 0.057,617 0.002,618 0.033,619 0.171,620 0.056,621 0.004,622 -0.042,623 0.221,624 -0.071,625 0.092,626 -0.204,627 0.079,628 -0.112,629 0.088,630 -0.049,631 0.176,632 -0.009,633 -0.021,634 -0.062,635 0.128,636 -0.054,637 -0.021,638 -0.004,639 0.115,640 0.11,641 -0.017,642 0.17,643 0.021,644 0.032,645 0.114,646 0.123,647 -0.02,648 0.133,649 -0.226,650 -0.009,651 -0.046,652 0.019,653 -0.168,654 -0.01,655 -0.347,656 -0.007,657 -0.138,658 0.019,659 -0.327,660 -0.049,661 2.467,662 4.324,663 0.643,664 29.893,665 1.008,666 1.142,667 4.057,668 16.46,669 0.649,670 3.434,671 3.714,672 3.932,673 4.094,674 4.29,675 4.29,676 4.317,677 4.382,678 4.564,679 4.663,680 7.127,681 0.616,682 404.95,683 3.434,684 4.949,685 5.771,686 6.616,687 7.453,688 8.301,689 9.142,690 9.992,691 10.836,692 11.687,693 11.3,694 1,698 2,703 2,704 1,709 5,710 2,714 5,716 12,728 2,729 1,734 1,735 53,737 14,738 1,739 30,741 55,742 19,743 10,744 2,745 4,748 3,749 3,750 1,754 1,757 4,758 2,760 4,762 10,763 9,764 2,767 2,769 1,772 2,780 1,783 25,784 7,785 4,786 9,787 1,792 6,797 1,798 2,810 1,816 3,836 1,843 3,848 1,851 28,852 1,858 7,860 2,863 2,873 1,874 3.8,880 2,881 14.667,882 8.993,883 6.333,884 3.244,886 2.257,887 1.315,888 0.953,889 7.427,890 9.427,891 3.664,892 4.19,893 4.644,894 5.095,895 5.548,896 5.646,897 5.81,898 5.97,899 6.409,900 6.748,901 1,902 41,903 10.356,905 4.367,906 7.879,907 19.732,909 16.187,911 2.379,912 66.611,914 1,915 1,916 247.193,917 77.078,918 108.16,919 39.149,920 50.747,923 77.078,924 337.089,925 108.16,926 5.67,927 49.352,928 37.905,929 81.364,930 18.49,931 4.227,932 235.422,933 89.896,934 247.193,935 185.237,936 50.747,937 39.149,939 223.651,940 23.542,941 50.747,943 60.299,944 49.676,945 114.411,947 247.193,948 158.907,949 116.226,952 247.193,953 30.125,954 52.622,955 36.022,956 156.364,957 247.193,958 158.907,959 116.226,961 0.573,962 0.332,963 0.165,964 0.088,965 17,966 8,967 0.145,968 8,970 1,971 4.033,972 226.598,974 18,975 128.606,981 20.778,982 10.009,983 5.775,985 153.237,986 8.692,987 8.376,991 1.974,993 68.919,994 522.326,995 38,997 -0.467,1000 22.648,1007 53.425,1008 60.505,1009 0.294,1010 0.639,1011 0.796,1012 0.848,1013 0.875,1014 0.901,1015 4.883,1016 1.414,1017 5.733,1018 3.887,1019 4.394,1020 4.875,1021 2.594,1022 6.479,1023 4.298,1024 6.051,1025 1.177,1026 7.258,1027 2.988,1028 3.892,1029 4.649,1030 2.361,1031 7.277,1032 3.724,1033 7.334,1034 1,1035 8.879,1036 2.769,1037 5.932,1038 6.979,1039 4.161,1040 10.3,1041 5.748,1042 8.65,1043 0.783,1044 10.558,1045 2.275,1046 6.236,1047 7.576,1048 4.506,1049 11.916,1050 5.975,1051 9.998,1052 0.665,1053 12.273,1054 1.734,1055 7.728,1056 9.398,1057 5.948,1058 14.444,1059 7.45,1060 11.368,1061 0.436,1062 14.013,1063 1.546,1064 8.411,1065 10.379,1066 6.556,1067 16.409,1068 8.056,1069 12.756,1070 -0.075,1071 15.772,1072 0.71,1073 9.667,1074 11.99,1075 7.794,1076 18.765,1077 9.289,1078 3.005,1079 -0.286,1080 17.544,1081 -0.172,1082 10.54,1083 13.165,1084 8.548,1085 20.892,1086 10.088,1087 2.796,1088 9.847,1089 19.328,1090 -0.618,1091 11.69,1092 14.674,1093 9.67,1094 23.187,1095 11.206,1096 2.645,1097 8.559,1098 21.122,1099 4.138,1100 12.66,1101 15.951,1102 10.509,1103 25.389,1104 12.107,1105 2.347,1106 7.339,1107 22.922,1108 3.774,1109 13.764,1110 17.41,1111 11.563,1112 27.666,1113 13.17,1114 2.201,1115 6.866,1116 24.73,1117 3.262,1118 14.784,1119 18.742,1120 12.452,1121 29.905,1122 14.125,1123 1.832,1124 6.286,1125 26.543,1126 2.666,1127 15.869,1128 20.175,1129 13.468,1130 32.177,1131 15.163,1132 1.533,1133 5.046,1134 28.361,1135 2.516,1136 16.916,1137 21.54,1138 14.386,1139 34.435,1140 16.148,1141 9876,1142 16860,1143 19.879,1144 34.415,1145 43.585,1146 45.554,1147 45.261,1148 43.843,1149 43.668,1150 54.959,1151 7.339,1152 119.701,1153 41.438,1154 5.418,1155 5.804,1156 6.114,1157 5.023,1158 5.005,1159 7.138,1160 4.612,1161 16.422,1162 4.842,1163 14.118,1164 1.453,1165 1.518,1166 1.509,1167 1.461,1168 1.456,1169 1.832,1170 0.245,1171 3.99,1172 1.381,1173 4.004,1174 4.053,1175 4.023,1176 3.881,1177 7.815,1178 3.878,1179 3.902,1180 3.944,1181 3.939,1182 3.814,1183 6.999,1184 3.806,1185 3.88,1186 3.917,1187 3.766,1188 3.689,1189 5.012,1190 3.722,1191 3.502,1192 3.566,1193 3.475,1194 3.286,1195 4.986,1196 3.281,1197 3.462,1198 3.534,1199 3.323,1200 3.139,1201 4.911,1202 3.18,1203 3.217,1204 3.307,1205 3.29,1206 2.941,1207 4.345,1208 2.942,1209 3.111,1210 3.206,1211 3.078,1212 2.87,1213 4.309,1214 2.91,1215 3.104,1216 3.197,1217 2.924,1218 2.835,1219 4.096,1220 2.846,1221 0.147,1222 0.127,1223 0.214,1224 0.132,1225 0.1,1226 4.418,1227 0.138,1228 3.804,1229 0.087,1230 6.424,1231 0.328,1232 3.951,1233 0.095,1234 3.005,1235 4.138,1236 2.612,1237 9.847,1238 2.842,1239 1.922,1240 1.884,1241 2.124,1242 2.101,1243 1.537,1244 2.09,1245 1.905,1246 1.866,1247 2.007,1248 2.036,1249 1.152,1250 2.023,1251 1.785,1252 1.741,1253 1.851,1254 1.972,1255 1.062,1256 1.964,1257 1.454,1258 1.379,1259 1.707,1260 1.71,1261 0.828,1262 1.707,1263 1.302,1264 1.234,1265 1.527,1266 1.663,1267 0.825,1268 1.596,1269 1.153,1270 1.064,1271 1.513,1272 1.466,1273 0.67,1274 1.461,1275 1.103,1276 1.007,1277 1.433,1278 1.376,1279 0.567,1280 1.429,1281 1.002,1282 0.945,1283 1.134,1284 1.343,1285 0.279,1286 1.326,1287 4.111,1289 5.398,1291 6.88,1293 8.447,1295 10.055,1298 6.155,1301 5.741,1303 6.187,1305 6.234,1308 1.071,1314 32.654,1315 89.263,1316 193.97,1317 241.58,1318 257.58,1319 265.58,1320 273.58,1321 61.459,1322 7.171,1323 121.68,1324 121.68,1325 18,1326 12.246,1327 3.907,1328 3.17,1329 49.676,1330 115,1331 134,1332 0.2,1333 207.444,1334 358.69,1335 497.924,1336 12790,1337 1.9,1338 19.933,1339 0.712,1340 0.584,1341 20.433,1342 16.361,1343 13.563,1344 0.452,1345 0.329,1346 9.392,1347 12.724,1348 9.212,1349 7.64,1350 13.852,1351 9.869,1352 11.819,1353 0.295,1354 0.189,1355 12.189,1356 7.54,1357 9.73,1358 0.195,1359 0.112,1360 10.11,1361 5.588,1362 7.506,1363 0.127,1364 0.062,1365 7.775,1366 3.655,1367 5.868,1368 0.081,1369 0.036,1370 6.047,1371 2.621,1372 0.319,1373 88.576,1374 0.224,1375 27.139,1376 0.537,1377 140,1378 426.588,1379 169.828,1380 442.309,1381 580.29,1382 408,1383 160,1384 401.312,1385 186.272,1386 409.834,1387 591.3,1388 384,1389 6.7}
{0 CHEMBL24828,1 1.715,2 12.633,3 5.087,4 25.882,5 118.666,6 8.804,7 0.515,8 4.096,9 4.21,10 3.809,11 3.624,12 5.183,13 3.608,14 4.654,15 4.831,16 4.207,17 4.022,18 5.692,19 3.985,20 4.896,21 5.087,22 4.303,23 4.185,24 5.942,25 4.112,26 5,27 5.239,28 4.249,29 4.119,30 5.993,31 4.028,32 4.9,33 5.149,34 4.082,35 4.02,36 5.885,37 3.947,38 4.725,39 4.904,40 4.108,41 4.046,42 5.806,43 3.985,44 4.877,45 5.093,46 4.17,47 4.064,48 5.938,49 3.991,50 4.807,51 5.035,52 4.136,53 4.001,54 5.805,55 3.888,56 0.058,57 0.853,58 9.037,59 4.983,60 7.077,61 6.16,62 0.356,63 1.361,64 21.772,65 8.436,66 26.488,67 10.434,68 0.51,69 1.694,70 35.268,71 11.548,72 40.534,73 14.399,74 0.653,75 1.701,76 43.941,77 12.799,78 59.27,79 16.162,80 0.799,81 1.495,82 35.628,83 10.733,84 59.961,85 14.498,86 0.337,87 1.441,88 25.124,89 9.744,90 30.079,91 12.223,92 0.614,93 1.604,94 31.754,95 10.393,96 58.941,97 13.134,98 0.6,99 1.394,100 30.973,101 10.363,102 50.053,103 13.272,104 18,105 46,106 0.284,107 0.627,108 0.815,109 0.857,110 0.857,111 0.857,112 3.44,113 0.972,114 -5,115 -4.9,116 -4.6,117 1,119 40.7,121 2,122 1,124 2,125 3,142 5,143 1,144 5,146 1,147 1,148 1,172 4,174 1,175 8,178 1,180 2,183 5,187 1,188 8,193 3,196 3,199 1,200 3,203 1,205 1,208 2,212 3,213 3,216 1,218 1,221 6,224 1,225 4,228 1,233 6,238 7,246 5,249 1,250 5,255 1,258 1,263 1,264 6,269 2,272 1,276 1484,277 20.334,278 20.334,279 20.334,280 20.334,281 20.334,282 18.245,283 25.914,284 11.895,285 21.132,286 16.224,287 16.224,288 16.224,289 16.224,290 16.224,291 13.028,292 33.11,293 5.597,294 17.491,295 4.04,296 1.974,297 0.836,298 0.584,299 0.584,300 0.584,301 4.138,305 1,306 1,307 819,308 3,312 348.882,316 134.1,319 2.233,320 30.309,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 65.25,332 379,333 4.577,334 3.313,335 6.59,336 4.104,337 3.14,338 4.513,339 0.86,340 10.547,341 3.026,342 4.234,343 3.216,344 6.11,345 3.801,346 2.862,347 3.883,348 0.86,349 8.93,350 2.672,351 3.982,352 2.915,353 5.997,354 3.611,355 2.661,356 3.488,357 0.8,358 8.482,359 2.542,360 3.609,361 2.799,362 5.409,363 3.515,364 2.568,365 2.875,366 0.4,367 7.143,368 2.41,369 3.511,370 2.673,371 5.198,372 3.04,373 2.153,374 2.699,376 6.281,377 1.941,378 3.362,379 2.419,380 4.937,381 3.024,382 2.096,383 2.613,385 5.707,386 1.905,387 3.116,388 2.205,389 4.89,390 2.861,391 1.952,392 2.242,394 5.661,395 1.659,396 2.99,397 2.025,398 4.529,399 2.534,400 1.615,401 2.087,403 4.533,404 1.464,405 2.833,406 1.708,407 4.133,408 2.359,409 1.417,410 1.965,412 3.629,413 1.323,414 2.678,415 1.47,416 3.903,417 2.238,418 1.34,419 1.732,421 3.135,422 1.195,423 2,424 1.099,425 3.414,426 1.984,427 1,428 1,430 2.275,431 0.983,432 1.955,433 1.077,434 3.32,435 1.667,436 0.754,437 0.877,439 1.833,440 0.678,441 1.692,442 0.971,443 3.08,444 1.434,445 0.553,446 0.608,448 1.132,449 0.478,450 1.551,451 0.682,452 2.844,453 1.186,454 0.308,455 0.373,457 0.625,458 0.25,459 1.121,460 0.23,461 2.683,462 0.85,463 -0.085,464 -0.091,466 -0.18,467 -0.078,468 14.886,469 0.496,470 0.729,471 0.024,472 37.5,473 1.25,474 17.5,475 0.583,476 20,477 0.667,478 28.331,479 0.944,480 32.514,481 0.602,482 27.054,483 0.902,484 7.11,485 0.237,486 7.419,487 0.247,488 0.176,490 0.329,494 1,496 0.754,497 1.279,498 0.508,499 0.997,500 0.576,501 0.951,502 1.046,503 0.917,504 0.585,505 0.751,506 0.653,507 0.796,508 0.926,509 1.124,510 0.889,511 1.07,512 0.799,513 1.065,514 1.022,515 1.025,516 0.635,517 0.948,518 0.935,519 0.96,520 0.927,521 0.675,522 0.343,523 0.601,524 0.73,525 0.688,526 0.887,527 1.163,528 0.625,529 1.044,530 0.782,531 1.063,532 1.274,533 1.001,534 0.571,535 0.854,536 1.163,537 0.959,538 0.933,539 0.935,540 0.725,541 0.89,542 0.809,543 1.007,544 6.5,545 0.148,546 3.556,547 1.5,548 2.053,549 0.958,550 0.647,551 0.592,552 0.431,553 0.214,554 12191,555 34433,556 2.087,557 44.4,559 17,561 1,562 1,564 5,567 1.728,568 1.957,569 3.589,570 -0.316,577 92.617,578 1.715,579 3.781,580 4.919,581 5.171,582 5.171,583 5.171,584 3.095,585 4.282,586 4.873,587 3.754,588 1632.89,589 8.504,590 22764.7,595 310.764,596 1.4,597 4.839,598 0.197,599 0.007,600 0.077,601 0.031,602 0.05,603 0.023,604 0.015,605 0.015,606 0.013,607 0.008,608 0.437,609 0.33,610 0.88,611 0.715,612 154.829,613 -0.037,614 -0.203,615 0.01,616 -0.088,617 -0.007,618 -0.023,619 -0.104,620 0.085,621 0.031,622 0.134,623 0.039,624 0.121,625 0.025,626 -0.119,627 -0.05,628 -0.115,629 0.066,630 -0.107,631 0.011,632 -0.089,633 0.051,634 -0.045,635 0.034,636 0.005,637 0.12,638 0.188,639 0.104,640 0.232,641 0.093,642 0.261,643 0.017,644 -0.167,645 -0.035,646 -0.135,647 0.04,648 -0.112,649 -0.132,650 0.013,651 0.007,652 0.016,653 -0.076,654 -0.033,655 0.026,656 -0.014,657 0.033,658 0.025,659 0.012,660 -0.047,661 2.041,662 6.264,663 0.733,664 33.431,665 1.01,666 1.133,667 3.771,668 14.22,669 0.678,670 3.526,671 3.85,672 4.111,673 4.357,674 4.644,675 4.7,676 4.796,677 4.963,678 5.124,679 5.153,680 7.163,681 0.643,682 475.4,683 3.526,684 5.069,685 5.916,686 6.79,687 7.656,688 8.534,689 9.408,690 10.289,691 11.167,692 12.051,693 7.4,696 1,701 1,703 2,708 2,709 6,710 2,714 6,716 17,728 1,733 2,734 2,735 54,737 17,738 2,739 33,740 1,741 57,742 22,743 14,744 7,745 5,748 4,749 5,757 2,758 1,760 2,762 14,763 8,764 1,781 1,783 24,784 7,785 1,786 8,787 1,792 4,797 0.75,798 2,810 1,816 4,820 1,839 1,843 3,846 1,847 2,849 1,851 30,858 5,860 1,861 2,863 1,864 1,873 2,874 3.7,879 2,881 15.333,882 10.302,883 6.611,884 3.191,886 3.402,887 1.434,888 0.984,889 6.714,890 11.247,891 3.75,892 4.357,893 4.936,894 5.52,895 6.139,896 6.448,897 6.827,898 7.277,899 7.715,900 7.887,901 0.889,902 48,903 11.116,905 4.707,906 7.714,907 21.322,909 17.465,911 2.214,912 66.417,916 270.735,917 121.617,918 100.66,920 22,921 14.96,923 167.571,924 292.735,925 69.666,926 19.279,927 13.873,928 47.381,929 45.342,930 81.89,931 17.288,932 258.964,933 45.954,934 270.735,935 176.323,936 36.96,938 45.954,939 226.84,940 80.855,943 45.771,944 96.981,945 33.571,946 45.954,947 285.695,948 76.706,949 167.571,952 270.735,953 46.338,954 78.404,955 63.965,956 70.531,957 270.735,958 91.666,959 167.571,961 0.582,962 0.339,963 0.179,964 0.105,965 22,966 10,967 0.105,968 6,969 1,970 1.091,971 4.147,972 266.994,973 0.091,974 22,975 143.207,981 21.29,982 9.461,983 5.045,984 1.424,985 91.666,986 9.969,987 8.662,991 2.39,993 18.011,994 529.972,995 41.5,1007 54.523,1008 61.161,1009 0.298,1010 0.657,1011 0.855,1012 0.899,1013 0.899,1014 0.899,1015 4.992,1016 1.615,1017 5.9,1018 5.661,1019 4.533,1020 5.043,1021 1.656,1022 6.693,1023 4.393,1024 6.191,1025 1.417,1026 7.449,1027 4.533,1028 4.111,1029 4.902,1030 0.325,1031 7.545,1032 3.884,1033 7.497,1034 1.34,1035 9.094,1036 3.629,1037 6.116,1038 7.263,1039 1.308,1040 10.62,1041 5.877,1042 8.837,1043 1,1044 10.793,1045 3.135,1046 6.479,1047 7.943,1048 0.268,1049 12.28,1050 6.17,1051 10.209,1052 0.754,1053 12.528,1054 2.275,1055 7.958,1056 9.807,1057 1.064,1058 14.876,1059 7.635,1060 11.604,1061 0.553,1062 14.287,1063 1.833,1064 8.696,1065 10.89,1066 0.188,1067 16.895,1068 8.317,1069 13.017,1070 0.308,1071 16.065,1072 1.132,1073 9.957,1074 12.544,1075 0.862,1076 19.32,1077 9.556,1078 3.14,1079 -0.085,1080 17.857,1081 0.625,1082 10.883,1083 13.831,1084 0.125,1085 21.507,1086 10.435,1087 2.862,1088 10.547,1089 19.661,1090 -0.18,1091 12.051,1092 15.391,1093 0.69,1094 23.87,1095 11.577,1096 2.661,1097 8.93,1098 21.475,1099 4.513,1100 13.072,1101 16.782,1102 0.082,1103 26.137,1104 12.555,1105 2.568,1106 8.482,1107 23.296,1108 3.883,1109 14.203,1110 18.302,1111 0.544,1112 28.48,1113 13.657,1114 2.153,1115 7.143,1116 25.125,1117 3.488,1118 15.273,1119 19.745,1120 0.054,1121 30.786,1122 14.688,1123 2.096,1124 6.281,1125 26.959,1126 2.875,1127 16.392,1128 21.249,1129 0.424,1130 33.126,1131 15.776,1132 1.952,1133 5.707,1134 28.798,1135 2.699,1136 17.487,1137 22.72,1138 0.035,1139 35.451,1140 16.835,1141 11623,1142 19846,1143 22.076,1144 36.597,1145 48.972,1146 49.994,1147 50.647,1148 49.003,1149 48.839,1150 61.91,1151 5.84,1152 139.826,1153 45.051,1154 5.577,1155 5.313,1156 6.117,1157 5.183,1158 5.14,1159 7.513,1160 1.72,1161 17.498,1162 5.026,1163 14.814,1164 1.484,1165 1.515,1166 1.535,1167 1.485,1168 1.48,1169 1.876,1170 0.177,1171 4.237,1172 1.365,1173 4.081,1174 4.109,1175 6.88,1176 3.98,1177 8.201,1178 3.993,1179 3.887,1180 3.934,1181 4.05,1182 3.836,1183 5.1,1184 3.824,1185 3.868,1186 3.907,1187 3.771,1188 3.724,1189 4.764,1190 3.719,1191 3.5,1192 3.54,1193 3.741,1194 3.278,1195 4.65,1196 3.312,1197 3.344,1198 3.42,1199 3.435,1200 3.11,1201 4.483,1202 3.114,1203 3.183,1204 3.255,1205 3.183,1206 2.986,1207 4.319,1208 2.98,1209 3.111,1210 3.206,1211 3.022,1212 2.941,1213 4.12,1214 2.91,1215 3.061,1216 3.135,1217 2.882,1218 2.873,1219 4.03,1220 2.855,1221 0.139,1222 0.1,1223 0.2,1224 0.124,1225 0.095,1226 4.577,1227 0.137,1228 3.313,1229 0.026,1230 6.59,1231 0.32,1232 4.104,1233 0.092,1234 3.14,1235 4.513,1236 0.86,1237 10.547,1238 3.026,1239 2.006,1240 1.985,1241 2.076,1242 2.128,1243 1.444,1244 2.109,1245 1.861,1246 1.839,1247 2.039,1248 2.028,1249 1.181,1250 2.041,1251 1.842,1252 1.788,1253 1.91,1254 1.94,1255 1.044,1256 1.941,1257 1.397,1258 1.352,1259 1.647,1260 1.661,1261 0.843,1262 1.646,1263 1.303,1264 1.224,1265 1.592,1266 1.576,1267 0.825,1268 1.587,1269 1.153,1270 1.069,1271 1.513,1272 1.412,1273 0.587,1274 1.429,1275 1.143,1276 1.064,1277 1.425,1278 1.376,1279 0.541,1280 1.428,1281 1.005,1282 0.937,1283 1.328,1284 1.241,1285 0.398,1286 1.28,1287 4.205,1289 5.525,1291 7.045,1293 8.656,1295 10.315,1296 3.268,1297 3.754,1299 14.264,1303 5.092,1305 3.053,1306 11.67,1308 0.532,1309 2.34,1314 34.718,1315 92.617,1316 204.158,1317 265.645,1318 279.254,1319 279.254,1320 279.254,1321 53.656,1322 7.845,1323 59.51,1324 59.51,1325 24,1326 12.585,1327 4.17,1328 3.248,1329 47.065,1330 129,1331 142,1332 0.179,1333 217.091,1334 372.83,1335 521.462,1336 29174,1337 3.7,1338 21.087,1339 0.703,1340 0.619,1341 21.217,1342 18.577,1343 14.529,1344 0.44,1345 0.324,1346 9.757,1347 13.258,1348 9.456,1349 7.827,1350 14.696,1351 10.687,1352 13.109,1353 0.285,1354 0.184,1355 13.396,1356 8.465,1357 11.028,1358 0.184,1359 0.099,1360 11.162,1361 5.911,1362 8.937,1363 0.116,1364 0.051,1365 8.796,1366 3.924,1367 7.643,1368 0.074,1369 0.029,1370 7.975,1371 2.944,1372 0.283,1373 100.45,1374 0.213,1375 28.486,1376 0.489,1377 158,1378 519.505,1379 241.478,1380 505.9,1381 674.14,1382 474,1383 185,1384 462.01,1385 232.1,1386 475.659,1387 694.84,1388 444,1389 5}
{0 CHEMBL248757,1 1.926,2 12.563,3 2.839,4 8.06,5 121.278,6 9.439,7 0.486,8 4.052,9 4.153,10 3.843,11 3.593,12 5.274,13 3.596,14 4.558,15 4.697,16 4.204,17 3.951,18 5.77,19 3.93,20 4.79,21 4.965,22 4.257,23 4.04,24 5.981,25 4.014,26 4.849,27 5.029,28 4.282,29 4.079,30 6.085,31 4.048,32 4.91,33 5.085,34 4.336,35 4.16,36 6.143,37 4.118,38 4.938,39 5.11,40 4.49,41 4.253,42 6.167,43 4.198,44 4.99,45 5.186,46 4.35,47 4.217,48 6.17,49 4.149,50 4.867,51 5.091,52 4.095,53 3.976,54 6.09,55 3.894,56 0.18,57 0.804,58 6.61,59 4.085,60 15.125,61 4.173,62 0.544,63 1.224,64 16.438,65 7.11,66 38.176,67 7.506,68 0.784,69 1.401,70 27.778,71 9.367,72 63.699,73 10.232,74 0.873,75 1.442,76 27.951,77 9.761,78 70.549,79 11.075,80 1.108,81 1.523,82 30.436,83 10.368,84 91.012,85 11.384,86 0.886,87 1.652,88 30.656,89 10.859,90 83.638,91 11.827,92 0.901,93 1.65,94 35.231,95 11.503,96 89.222,97 13.197,98 0.98,99 1.362,100 34.192,101 10.169,102 118.704,103 12.077,104 11,105 47,106 0.32,107 0.712,108 0.846,109 0.872,110 0.892,111 0.906,112 3.502,113 0.937,114 -2.04,115 -2.09,116 -2.08,119 40,121 2,125 3,142 2,144 4,145 2,146 1,147 2,152 1,158 1,159 1,160 1,172 1,174 1,175 4,178 3,179 1,180 2,183 1,187 3,188 3,191 2,193 4,196 2,199 3,200 2,203 4,205 2,208 1,212 3,213 4,216 2,217 1,218 2,221 3,224 1,225 5,228 2,230 4,233 3,237 1,238 8,241 1,242 1,243 2,246 1,249 3,250 4,253 1,255 1,258 1,263 1,264 1,267 3,272 1,276 1576,277 21.955,278 21.955,279 21.955,280 21.955,281 21.955,282 19.586,283 32.403,284 13.237,285 22.895,286 17.264,287 17.264,288 17.264,289 17.264,290 17.264,291 13.521,292 46.934,293 6.276,294 18.844,295 3.718,296 1.367,297 0.56,298 0.4,299 0.28,300 0.2,301 4.201,302 1,305 1,306 1,307 872,308 2.739,311 76.01,312 132.779,319 2.16,320 39.567,323 1,324 0.67,325 1,326 0.6,328 0.83,329 0.5,330 0.66,331 70.833,332 402,333 4.389,334 4.073,335 6.323,336 3.972,337 3.029,338 4.067,339 2.035,340 9.688,341 2.843,342 4.316,343 3.577,344 6.175,345 3.84,346 2.911,347 3.961,348 1.656,349 9.185,350 2.701,351 3.93,352 3.277,353 5.821,354 3.51,355 2.589,356 3.48,357 0.86,358 7.929,359 2.387,360 3.832,361 3.041,362 5.408,363 3.401,364 2.485,365 3.158,366 0.86,367 7.096,368 2.257,369 3.689,370 2.875,371 5.345,372 3.266,373 2.348,374 2.999,375 0.657,376 6.953,377 2.12,378 3.426,379 2.737,380 4.859,381 2.916,382 1.97,383 2.564,384 0.247,385 5.543,386 1.851,387 3.205,388 2.364,389 4.536,390 2.772,391 1.824,392 2.225,394 4.66,395 1.725,396 3.055,397 2.141,398 4.409,399 2.612,400 1.684,401 2.181,403 4.368,404 1.526,405 2.811,406 2.051,407 3.879,408 2.455,409 1.54,410 1.748,412 3.481,413 1.39,414 2.702,415 1.911,416 3.683,417 2.209,418 1.31,419 1.713,421 2.931,422 1.163,423 2.665,424 1.552,425 3.46,426 1.991,427 1.099,428 1.258,430 2.498,431 0.959,432 2.245,433 1.4,434 3.242,435 1.691,436 0.805,437 1.12,439 1.92,440 0.686,441 2.118,442 1.18,443 3.056,444 1.594,445 0.676,446 0.927,448 1.372,449 0.618,450 1.983,451 0.757,452 3,453 1.431,454 0.618,455 0.911,457 1.276,458 0.492,459 1.601,460 0.713,461 2.946,462 1.298,463 0.405,464 0.465,466 0.923,467 0.357,468 15.348,469 0.48,470 0.639,471 0.02,472 45.25,473 1.414,474 23,475 0.719,476 22.25,477 0.695,478 26.742,479 0.836,480 33.852,481 0.677,482 34.516,483 1.079,484 8.605,485 0.269,486 7.014,487 0.219,488 0.094,490 0.293,496 0.883,497 1.353,498 0.612,499 0.931,500 0.563,501 0.829,502 0.953,503 1.117,504 0.797,505 0.956,506 0.576,507 0.91,508 1.111,509 1.046,510 0.963,511 1.029,512 0.83,513 0.967,514 1.052,515 0.955,516 0.907,517 0.935,518 0.786,519 0.986,520 1.112,521 0.855,522 0.973,523 0.838,524 1.091,525 0.957,526 0.909,527 1.042,528 0.826,529 0.948,530 0.937,531 1.02,532 1.033,533 1.015,534 1.118,535 1.068,536 1.097,537 1.132,538 1.152,539 0.854,540 1.025,541 0.887,542 1.262,543 1.017,544 6,545 0.124,546 2.889,547 1.785,548 1.783,549 1.156,550 0.851,551 0.536,552 0.307,553 0.212,554 14194,555 50056,556 2.101,557 36,559 8,561 3,562 3,564 4,567 1.747,568 2,569 3.584,570 0.977,572 1,577 96.289,578 1.926,579 4.277,580 5.084,581 5.244,582 5.364,583 5.444,584 3.129,585 4.226,586 4.971,587 3.746,588 1858,589 8.708,590 26786,595 282.193,596 1.259,597 4.947,598 0.171,599 0.005,600 0.061,601 0.036,602 0.036,603 0.022,604 0.015,605 0.011,606 0.008,607 0.008,608 0.374,609 0.5,610 0.75,611 0.633,612 167.666,613 -0.136,614 -0.207,615 0.024,616 -0.03,617 -0.009,618 0.005,619 0.004,620 -0.05,621 0.007,622 -0.001,623 0.058,624 -0.018,625 -0.044,626 -0.072,627 -0.036,628 -0.073,629 -0.001,630 -0.012,631 0.028,632 -0.011,633 -0.016,634 -0.04,635 0.083,636 -0.031,637 0.025,638 0.079,639 -0.056,640 0.063,641 -0.045,642 -0.005,643 0.026,644 -0.047,645 0.067,646 -0.012,647 0.005,648 -0.068,649 -0.083,650 -0.07,651 -0.111,652 -0.137,653 -0.1,654 -0.141,655 -0.063,656 0.02,657 -0.004,658 0.039,659 -0.022,660 0.015,661 2.238,662 5.538,663 0.813,664 30.906,665 1.028,666 1.129,667 0.811,668 0.658,669 0.71,670 3.584,671 3.871,672 4.111,673 4.344,674 4.522,675 4.625,676 4.718,677 4.836,678 4.92,679 5.075,680 7.168,681 0.689,682 471.97,683 3.584,684 5.106,685 5.938,686 6.795,687 7.642,688 8.503,689 9.357,690 10.221,691 11.078,692 11.943,693 14,698 1,700 2,702 1,703 3,709 5,710 3,713 1,714 8,716 17,718 1,728 1,733 2,734 1,735 50,737 19,738 1,739 35,741 53,742 20,743 13,744 4,745 2,748 4,749 7,750 1,753 1,757 2,760 2,761 1,762 14,763 5,767 1,772 1,776 1,780 1,783 18,784 10,785 3,786 12,787 2,792 7,797 0.5,798 3,806 1,815 1,816 2,843 2,845 1,848 1,851 32,858 5,860 3,861 2,866 1,868 1,870 1,872 1,873 1,874 6,877 1,879 2,881 16,882 9.026,883 7.167,884 2.887,886 3.127,887 1.386,888 0.984,889 7.585,890 11.225,891 3.861,892 4.398,893 4.926,894 5.455,895 5.856,896 6.074,897 6.29,898 6.57,899 6.731,900 7.116,901 0.889,902 49,903 11.787,905 4.995,906 7.92,907 21.938,909 17.469,911 2.42,912 77.444,916 176.567,917 138.298,918 135.448,919 39.149,920 47.145,922 31.278,923 107.02,924 262.86,925 135.448,927 52.381,928 18.952,929 152.648,930 88.168,931 12.777,932 172.531,933 39.149,934 176.567,935 242.468,936 47.145,937 70.426,939 129.482,940 94.229,943 111.512,944 62.589,945 107.516,946 31.278,947 176.567,948 182.593,949 177.446,952 176.567,953 77.428,954 44.268,955 70.634,956 167.709,957 176.567,958 182.593,959 177.446,961 0.569,962 0.33,963 0.18,964 0.094,965 21,966 9,967 0.057,968 3,969 3,970 1.192,971 4.275,972 290.668,973 0.231,974 25,975 160,977 1,981 22.529,982 10.773,983 5.987,985 182.593,986 8.205,987 12.211,990 1.537,991 3.303,993 54.032,994 536.606,995 46.5,1000 12.538,1004 -0.571,1007 51.396,1008 56.472,1009 0.341,1010 0.758,1011 0.901,1012 0.929,1013 0.95,1014 0.965,1015 5.089,1016 1.684,1017 5.894,1018 4.66,1019 4.554,1020 5.085,1021 2.885,1022 6.65,1023 4.386,1024 6.277,1025 1.54,1026 7.415,1027 4.368,1028 4.007,1029 4.796,1030 1.195,1031 7.413,1032 3.775,1033 7.567,1034 1.31,1035 9.033,1036 3.481,1037 6.094,1038 7.218,1039 3.872,1040 10.488,1041 5.782,1042 8.889,1043 1.099,1044 10.709,1045 2.931,1046 6.382,1047 7.774,1048 2.324,1049 12.072,1050 5.994,1051 10.242,1052 0.805,1053 12.422,1054 2.498,1055 7.887,1056 9.627,1057 5.132,1058 14.633,1059 7.439,1060 11.615,1061 0.676,1062 14.159,1063 1.92,1064 8.574,1065 10.577,1066 3.407,1067 16.567,1068 8.047,1069 13.004,1070 0.618,1071 15.915,1072 1.372,1073 9.835,1074 12.189,1075 6.481,1076 18.938,1077 9.252,1078 3.029,1079 0.405,1080 17.684,1081 1.276,1082 10.721,1083 13.34,1084 4.464,1085 21.035,1086 10.062,1087 2.911,1088 9.688,1089 19.462,1090 0.923,1091 11.876,1092 14.839,1093 7.863,1094 23.331,1095 11.161,1096 2.589,1097 9.185,1098 21.249,1099 4.067,1100 12.861,1101 16.097,1102 5.504,1103 25.506,1104 12.075,1105 2.485,1106 7.929,1107 23.042,1108 3.961,1109 13.971,1110 17.54,1111 9.26,1112 27.773,1113 13.127,1114 2.348,1115 7.096,1116 24.841,1117 3.48,1118 15.007,1119 18.856,1120 6.531,1121 29.986,1122 14.094,1123 1.97,1124 6.953,1125 26.643,1126 3.158,1127 16.1,1128 20.273,1129 10.666,1130 32.242,1131 15.129,1132 1.824,1133 5.543,1134 28.45,1135 2.999,1136 17.161,1137 21.62,1138 7.551,1139 34.475,1140 16.124,1141 13411,1142 25386,1143 23.75,1144 35.477,1145 52.297,1146 54.822,1147 51.739,1148 50.774,1149 50.799,1150 65.813,1151 12.63,1152 140.1,1153 46.336,1154 5.335,1155 6.073,1156 6.144,1157 5.08,1158 5.029,1159 7.067,1160 4.069,1161 16.407,1162 4.843,1163 12.898,1164 1.494,1165 1.566,1166 1.478,1167 1.451,1168 1.451,1169 1.88,1170 0.361,1171 4.003,1172 1.324,1173 3.982,1174 4.011,1175 4.21,1176 3.893,1177 7.431,1178 3.886,1179 3.871,1180 3.91,1181 4.028,1182 3.792,1183 6.821,1184 3.729,1185 3.8,1186 3.822,1187 3.865,1188 3.692,1189 5.005,1190 3.719,1191 3.653,1192 3.713,1193 3.528,1194 3.495,1195 4.959,1196 3.486,1197 3.457,1198 3.502,1199 3.49,1200 3.193,1201 4.847,1202 3.243,1203 3.23,1204 3.291,1205 3.282,1206 3.002,1207 4.595,1208 3.023,1209 3.18,1210 3.246,1211 3.136,1212 2.952,1213 4.423,1214 2.964,1215 3.074,1216 3.133,1217 3.048,1218 2.84,1219 4.157,1220 2.864,1221 0.125,1222 0.116,1223 0.181,1224 0.113,1225 0.087,1226 4.389,1227 0.116,1228 4.073,1229 0.058,1230 6.323,1231 0.277,1232 3.972,1233 0.081,1234 3.029,1235 4.067,1236 2.035,1237 9.688,1238 2.843,1239 1.893,1240 1.874,1241 1.97,1242 2.03,1243 1.261,1244 2.011,1245 1.766,1246 1.728,1247 1.903,1248 1.958,1249 1.103,1250 1.928,1251 1.645,1252 1.586,1253 1.79,1254 1.839,1255 0.916,1256 1.854,1257 1.536,1258 1.509,1259 1.664,1260 1.704,1261 0.768,1262 1.703,1263 1.287,1264 1.249,1265 1.469,1266 1.551,1267 0.685,1268 1.512,1269 1.22,1270 1.177,1271 1.37,1272 1.436,1273 0.322,1274 1.438,1275 1.145,1276 1.086,1277 1.305,1278 1.405,1279 0.297,1280 1.421,1281 1.036,1282 0.989,1283 1.129,1284 1.238,1285 0.21,1286 1.217,1287 4.263,1289 5.557,1290 2.398,1291 7.027,1292 4.443,1293 8.587,1294 6.26,1295 10.199,1298 6.438,1303 2.654,1305 8.555,1306 11.488,1312 9.164,1313 1.922,1314 34.47,1315 96.289,1316 213.854,1317 254.193,1318 262.193,1319 268.193,1320 272.193,1321 59.8,1322 8.098,1323 134.08,1324 162.32,1325 31,1326 12.492,1327 4.322,1328 3.644,1329 51.756,1330 143,1331 134,1332 0.18,1333 219.855,1334 380.47,1335 528.206,1336 43712,1337 2,1338 22.338,1339 0.698,1340 0.572,1341 23.192,1342 18.295,1343 15.619,1344 0.446,1345 0.312,1346 9.593,1347 14.086,1348 9.357,1349 7.702,1350 16.361,1351 10.934,1352 13.632,1353 0.29,1354 0.171,1355 14.613,1356 8.032,1357 11.285,1358 0.188,1359 0.091,1360 12.274,1361 5.469,1362 9.347,1363 0.123,1364 0.048,1365 10.214,1366 3.617,1367 7.121,1368 0.078,1369 0.024,1370 7.672,1371 2.218,1372 0.284,1373 106.808,1374 0.205,1375 29.871,1376 0.493,1377 164,1378 583.849,1379 223.675,1380 606.435,1381 806.6,1382 566,1383 189,1384 545.808,1385 239.642,1386 571.056,1387 830.54,1388 535,1389 7.2}
{0 CHEMBL249282,1 1.565,2 13.379,3 3.142,4 9.873,5 109.968,6 7.75,7 0.515,8 4.041,9 4.152,10 3.658,11 3.585,12 5.141,13 3.583,14 4.601,15 4.763,16 4.002,17 3.989,18 5.609,19 3.971,20 4.806,21 5.002,22 4.015,23 4.11,24 5.792,25 4.046,26 4.83,27 5.059,28 3.887,29 4.068,30 5.757,31 3.968,32 4.828,33 5.091,34 3.808,35 3.927,36 5.725,37 3.837,38 4.584,39 4.806,40 3.717,41 3.802,42 5.536,43 3.737,44 4.43,45 4.614,46 3.672,47 3.823,48 5.442,49 3.742,50 4.568,51 4.803,52 3.628,53 3.795,54 5.559,55 3.694,56 0.052,57 0.767,58 9.516,59 4.407,60 10.031,61 5.5,62 0.253,63 1.247,64 19.577,65 7.3,66 20.343,67 9.217,68 0.435,69 1.469,70 25.656,71 9.555,72 34.09,73 12.603,74 0.244,75 1.492,76 26.829,77 10.178,78 33.131,79 14.158,80 0.45,81 1.378,82 29.947,83 9.892,84 45.449,85 13.907,86 0.48,87 1.114,88 22.185,89 7.482,90 31.433,91 10.034,92 0.124,93 1.061,94 16.173,95 6.944,96 18.339,97 9.326,98 0.208,99 1.149,100 20.787,101 7.816,102 32.114,103 10.955,104 3,105 46,106 0.26,107 0.626,108 0.768,109 0.834,110 0.852,111 0.852,112 3.408,113 0.892,114 -2.93,115 -2.93,116 -2.83,119 44,121 1,125 6,142 5,143 4,144 1,145 1,146 2,152 1,158 1,168 1,172 8,175 6,180 2,183 10,187 3,188 8,193 3,196 8,200 5,203 1,205 3,208 5,212 2,213 8,218 1,221 5,224 1,225 4,228 1,230 1,233 5,238 5,241 1,246 3,249 2,250 7,258 1,263 1,264 5,267 1,276 1417,277 20.386,278 20.386,279 20.386,280 20.386,281 20.386,282 18.35,283 23.097,284 12.094,285 20.934,286 16.274,287 16.274,288 16.274,289 16.274,290 16.274,291 13.038,292 28.072,293 5.71,294 17.121,295 4.079,296 1.879,297 1.028,298 0.63,299 0.52,300 0.52,301 4.125,304 1,305 1,306 1,307 865,308 2.915,311 108.714,312 248.542,314 88.611,315 97.75,318 135.814,319 2.392,320 22.631,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 62.5,332 388,333 4.66,334 4.057,335 6.933,336 4.303,337 3.316,338 4.39,339 2.035,340 11.729,341 3.272,342 4.214,343 3.448,344 6.293,345 3.808,346 2.826,347 3.849,348 0.86,349 9.462,350 2.777,351 3.98,352 2.955,353 5.535,354 3.473,355 2.539,356 3.511,357 0.86,358 7.241,359 2.404,360 3.679,361 2.868,362 5.346,363 3.426,364 2.484,365 2.99,366 0.8,367 6.97,368 2.301,369 3.518,370 2.696,371 5.285,372 3.236,373 2.289,374 2.674,375 0.68,376 6.725,377 2.164,378 3.394,379 2.416,380 5.195,381 2.951,382 1.977,383 2.512,385 6.206,386 1.919,387 3.104,388 2.169,389 4.887,390 2.658,391 1.671,392 2.182,394 5.181,395 1.648,396 2.876,397 2.089,398 4.101,399 2.428,400 1.545,401 1.633,403 3.246,404 1.355,405 2.594,406 1.885,407 3.791,408 2.143,409 1.182,410 1.556,412 3.094,413 1.133,414 2.552,415 1.497,416 3.68,417 1.963,418 1.051,419 1.5,421 2.652,422 0.961,423 2.5,424 1.256,425 3.414,426 1.952,427 1,428 1.45,430 2.344,431 0.946,432 2.402,433 1.239,434 3.351,435 1.951,436 1,437 1.121,439 2.275,440 0.935,441 2.137,442 1,443 3.247,444 1.933,445 0.966,446 1,448 2.136,449 0.932,450 2,451 0.959,452 3.099,453 1.466,454 0.517,455 0.949,457 1.004,458 0.489,459 1.612,460 0.602,461 2.788,462 1.287,463 0.326,464 0.415,466 0.652,467 0.312,468 13.667,469 0.471,470 0.53,471 0.018,472 39,473 1.345,474 19.5,475 0.672,476 19.5,477 0.672,478 22.546,479 0.777,480 30.133,481 0.603,482 27.065,483 0.933,484 7.663,485 0.264,486 6.651,487 0.229,488 0.029,490 0.322,496 0.824,497 1.222,498 0.723,499 1.072,500 0.525,501 0.914,502 1.399,503 1.042,504 0.952,505 0.884,506 0.709,507 0.854,508 1.112,509 0.973,510 1.04,511 0.965,512 0.662,513 0.997,514 0.755,515 1.126,516 1.02,517 1.173,518 0.716,519 1.142,520 1.063,521 0.842,522 0.856,523 0.819,524 0.858,525 0.812,526 1.238,527 0.817,528 0.965,529 0.753,530 0.746,531 0.813,532 0.642,533 1.183,534 1.038,535 1.228,536 0.67,537 1.204,538 0.673,539 1.067,540 0.981,541 1.146,542 0.888,543 1.115,544 4.5,545 0.1,546 2.889,547 1.417,548 1.162,549 0.952,550 0.489,551 0.25,552 0.328,553 0.172,554 12630,555 32948,556 2.215,557 42,558 2,559 17,561 1,562 1,567 1.715,568 2.148,569 3.679,570 -0.336,571 1,572 1,577 78.237,578 1.565,579 3.765,580 4.616,581 5.014,582 5.124,583 5.124,584 3.224,585 4.375,586 4.82,587 3.843,588 1560.1,589 8.375,590 21599.5,592 1,594 1,595 282.193,596 1.091,597 4.82,598 0.136,599 0.005,600 0.063,601 0.031,602 0.031,603 0.027,604 0.015,605 0.008,606 0.011,607 0.007,608 0.334,609 0.33,610 0.88,611 0.503,612 149.501,613 0.02,614 -0.091,615 0.077,616 -0.062,617 0.094,618 0.002,619 -0.23,620 0.02,621 -0.039,622 0.093,623 -0.059,624 0.065,625 -0.049,626 0.027,627 -0.091,628 0.025,629 0.052,630 -0.035,631 -0.003,632 -0.155,633 -0.065,634 -0.174,635 0.025,636 -0.137,637 0.021,638 0.059,639 0.204,640 0.164,641 0.017,642 0.204,643 0.004,644 0.133,645 0.053,646 0.229,647 -0.005,648 0.161,649 -0.017,650 -0.151,651 -0.168,652 -0.21,653 0.004,654 -0.217,655 0.062,656 -0.093,657 -0.019,658 -0.153,659 0.049,660 -0.108,661 1.257,662 2.941,663 0.828,664 35.838,665 1.005,666 1.125,667 1.698,668 2.884,669 0.681,670 3.526,671 3.85,672 4.174,673 4.477,674 4.727,675 4.883,676 5.094,677 5.242,678 5.384,679 5.529,680 7.511,681 0.655,682 387.48,683 3.526,684 5.069,685 5.938,686 6.823,687 7.712,688 8.611,689 9.511,690 10.419,691 11.329,692 12.243,693 10,696 1,701 1,702 1,703 2,709 6,710 2,711 1,714 8,716 17,718 1,733 1,735 50,737 18,738 1,739 33,741 54,742 22,743 14,744 3,745 3,748 5,749 8,757 1,760 1,761 1,762 14,763 7,780 1,783 21,784 6,785 1,786 7,792 5,797 0.6,798 2,807 1,809 1,815 2,816 3,818 1,819 1,822 1,839 1,842 1,843 3,851 29,858 7,861 2,864 1,866 1,870 1,872 1,874 4,878 1,879 1,881 13.5,882 9.133,883 6.389,884 3.101,886 3.523,887 1.424,888 1.022,889 4.93,890 11.836,891 3.795,892 4.36,893 4.99,894 5.597,895 6.134,896 6.554,897 7.068,898 7.484,899 7.9,900 8.328,901 1,902 45,903 10.688,905 4.584,906 7.632,907 20.759,909 17.46,911 2.132,912 61.833,915 1,916 235.422,917 121.915,918 84.295,920 22,923 121.915,924 257.422,925 84.295,927 22.629,928 47.381,929 72.821,930 94.393,931 2.757,932 223.651,934 235.422,935 206.21,936 22,939 235.422,940 11,941 11,943 88.036,944 84.725,945 33.449,947 235.422,948 106.295,949 121.915,952 235.422,953 48.885,954 59.553,955 33.265,956 86.508,957 235.422,958 106.295,959 121.915,961 0.575,962 0.343,963 0.188,964 0.102,965 24,966 9,967 0.093,968 5,969 2,970 1.167,971 4.277,972 259.881,973 0.167,974 24,975 136.881,981 18.177,982 7.866,983 3.598,985 89.632,986 11.601,987 8.73,988 3.144,991 7.68,993 16.663,994 463.632,995 43.5,1007 50.232,1008 56.232,1009 0.277,1010 0.667,1011 0.818,1012 0.888,1013 0.908,1014 0.908,1015 5.045,1016 1.545,1017 5.905,1018 5.181,1019 4.533,1020 5.047,1021 2.648,1022 6.725,1023 4.448,1024 6.237,1025 1.182,1026 7.46,1027 3.246,1028 4.007,1029 4.745,1030 0.325,1031 7.636,1032 3.919,1033 7.538,1034 1.051,1035 9.117,1036 3.094,1037 6.125,1038 7.22,1039 3.647,1040 10.774,1041 5.986,1042 8.877,1043 1,1044 10.838,1045 2.652,1046 6.494,1047 7.833,1048 0.268,1049 12.59,1050 6.366,1051 10.253,1052 1,1053 12.602,1054 2.344,1055 8.023,1056 9.717,1057 4.977,1058 15.247,1059 7.856,1060 11.657,1061 0.966,1062 14.397,1063 2.275,1064 8.815,1065 10.755,1066 0.188,1067 17.438,1068 8.661,1069 13.082,1070 0.517,1071 16.216,1072 2.136,1073 10.114,1074 12.396,1075 6.38,1076 19.95,1077 9.934,1078 3.316,1079 0.326,1080 18.054,1081 1.004,1082 11.112,1083 13.644,1084 0.125,1085 22.295,1086 10.94,1087 2.826,1088 11.729,1089 19.908,1090 0.652,1091 12.324,1092 15.181,1093 7.797,1094 24.764,1095 12.136,1096 2.539,1097 9.462,1098 21.773,1099 4.39,1100 13.421,1101 16.535,1102 0.082,1103 27.173,1104 13.234,1105 2.484,1106 7.241,1107 23.65,1108 3.849,1109 14.606,1110 18.027,1111 9.217,1112 29.63,1113 14.407,1114 2.289,1115 6.97,1116 25.535,1117 3.511,1118 15.75,1119 19.435,1120 0.054,1121 32.066,1122 15.547,1123 1.977,1124 6.725,1125 27.427,1126 2.99,1127 16.931,1128 20.909,1129 10.638,1130 34.522,1131 16.718,1132 1.671,1133 6.206,1134 29.326,1135 2.674,1136 18.098,1137 22.346,1138 0.035,1139 36.97,1140 17.878,1141 11618,1142 18912,1143 23.057,1144 34.029,1145 50.899,1146 52.501,1147 50.255,1148 49.411,1149 49.374,1150 63.463,1151 10.469,1152 141.831,1153 47.094,1154 5.66,1155 6.057,1156 6.735,1157 5.406,1158 5.316,1159 7.39,1160 4.069,1161 19.269,1162 5.272,1163 7.582,1164 1.542,1165 1.591,1166 1.523,1167 1.497,1168 1.496,1169 1.923,1170 0.317,1171 4.298,1172 1.427,1173 4.125,1174 4.158,1175 4.094,1176 4.042,1177 6.821,1178 4.049,1179 3.871,1180 3.903,1181 3.828,1182 3.781,1183 5.053,1184 3.788,1185 3.811,1186 3.871,1187 3.695,1188 3.591,1189 4.81,1190 3.607,1191 3.636,1192 3.682,1193 3.586,1194 3.478,1195 4.722,1196 3.497,1197 3.384,1198 3.441,1199 3.242,1200 3.167,1201 4.619,1202 3.173,1203 3.152,1204 3.206,1205 3.111,1206 3.014,1207 4.288,1208 3.029,1209 3.111,1210 3.201,1211 2.928,1212 2.941,1213 3.884,1214 2.91,1215 3.054,1216 3.131,1217 2.866,1218 2.861,1219 3.82,1220 2.866,1221 0.141,1222 0.123,1223 0.21,1224 0.13,1225 0.1,1226 4.66,1227 0.133,1228 4.057,1229 0.062,1230 6.933,1231 0.355,1232 4.303,1233 0.099,1234 3.316,1235 4.39,1236 2.035,1237 11.729,1238 3.272,1239 1.893,1240 1.872,1241 1.991,1242 2.009,1243 1.255,1244 2.003,1245 1.87,1246 1.844,1247 1.956,1248 1.989,1249 1.159,1250 1.981,1251 1.732,1252 1.67,1253 1.937,1254 1.942,1255 1.057,1256 1.943,1257 1.506,1258 1.477,1259 1.66,1260 1.644,1261 0.923,1262 1.643,1263 1.356,1264 1.299,1265 1.609,1266 1.581,1267 0.826,1268 1.59,1269 1.248,1270 1.179,1271 1.513,1272 1.561,1273 0.825,1274 1.516,1275 1.153,1276 1.064,1277 1.359,1278 1.376,1279 0.347,1280 1.429,1281 1.031,1282 0.978,1283 1.188,1284 1.233,1285 0.305,1286 1.213,1287 4.205,1289 5.525,1290 3.045,1291 7.045,1292 5.476,1293 8.655,1294 7.644,1295 10.317,1303 5.937,1306 11.388,1309 2.362,1312 8.941,1313 2.05,1314 32.751,1315 78.237,1316 188.261,1317 230.809,1318 250.683,1319 256.193,1320 256.193,1321 37.383,1322 8.312,1323 87.06,1324 87.06,1325 28,1326 12.757,1327 4.248,1328 3.524,1329 39.866,1330 129,1331 135,1332 0.15,1333 197.525,1334 340.84,1335 473.721,1336 52135,1338 19.631,1339 0.677,1340 0.552,1341 19.631,1342 16.019,1343 14.314,1344 0.434,1345 0.297,1346 9.657,1347 13.689,1348 9.496,1349 7.751,1350 14.314,1351 9.816,1352 12.532,1353 0.272,1354 0.158,1355 12.532,1356 7.268,1357 11.239,1358 0.176,1359 0.086,1360 11.239,1361 5.517,1362 9.581,1363 0.11,1364 0.045,1365 9.581,1366 3.934,1367 7.828,1368 0.07,1369 0.024,1370 7.828,1371 2.663,1372 0.241,1373 90.121,1374 0.208,1375 28.033,1376 0.399,1377 158,1378 454.384,1379 172.359,1380 437.556,1381 606.06,1382 414,1383 189,1384 447.528,1385 204.582,1386 452.645,1387 664.5,1388 427,1389 5.1}
{0 CHEMBL249697,1 1.437,2 7.316,3 1.761,4 3.1,5 76.664,6 7.093,7 0.714,8 3.69,9 3.839,10 3.224,11 3.19,12 4.767,13 3.172,14 4.205,15 4.411,16 3.589,17 3.567,18 5.202,19 3.531,20 4.386,21 4.615,22 3.648,23 3.681,24 5.395,25 3.624,26 4.446,27 4.695,28 3.586,29 3.681,30 5.378,31 3.609,32 4.341,33 4.568,34 3.465,35 3.618,36 5.314,37 3.534,38 4.36,39 4.611,40 3.224,41 3.548,42 5.303,43 3.415,44 4.271,45 4.552,46 2.73,47 3.342,48 5.081,49 3.119,50 4.082,51 4.442,52 2.203,53 2.933,54 4.749,55 2.65,56 0.039,57 0.587,58 7.979,59 2.761,60 7.893,61 4.178,62 0.141,63 0.905,64 14.364,65 4.628,66 14.081,67 7.141,68 0.278,69 1.037,70 17.776,71 5.514,72 24.113,73 8.461,74 0.179,75 1.047,76 19.171,77 5.597,78 21.424,79 9.019,80 0.184,81 0.966,82 16.879,83 5.178,84 20.287,85 8.103,86 0.242,87 0.914,88 17.665,89 5.385,90 25.449,91 8.387,92 0.123,93 0.74,94 16.434,95 5.646,96 19.862,97 8.709,98 0.137,99 0.509,100 14.76,101 4.658,102 20.489,103 7.463,104 13,105 30,106 0.261,107 0.653,108 0.786,109 0.86,110 0.86,111 0.86,112 3.013,113 0.913,114 -2.81,115 -2.82,116 -2.73,119 38.9,120 2,125 2,142 3,143 1,145 1,146 1,147 1,152 2,161 1,163 1,164 1,165 1,172 4,174 1,175 3,178 1,183 4,187 2,188 5,191 2,192 1,195 1,196 2,200 4,205 1,208 1,213 4,215 1,216 1,218 3,221 2,225 2,227 2,228 2,230 1,233 2,243 2,248 1,255 3,260 3,269 1,274 1,276 358,277 12.939,278 12.939,279 12.939,280 12.939,281 12.939,282 11.187,283 12.293,284 7.685,285 13.229,286 10.341,287 10.341,288 10.341,289 10.341,290 10.341,291 7.647,292 14.709,293 3.61,294 10.859,295 3.733,296 1.576,297 0.841,298 0.431,299 0.431,300 0.431,301 3.69,304 1,305 1,306 1,307 296,308 2.55,311 28.063,312 70.074,315 51.709,316 59.623,319 1.208,320 11.761,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 40.5,332 139,333 4.786,334 3.354,335 6.991,336 4.251,337 3.312,338 4.874,339 0.4,340 11.909,341 3.111,342 4.078,343 2.707,344 6.007,345 3.594,346 2.62,347 3.81,349 8.489,350 2.547,351 3.766,352 2.562,353 5.683,354 3.331,355 2.395,356 3.245,358 7.507,359 2.241,360 3.47,361 2.232,362 4.957,363 3.054,364 2.07,365 2.848,367 5.788,368 2.034,369 3.011,370 1.764,371 4.602,372 2.535,373 1.573,374 2.238,376 4.435,377 1.511,378 2.685,379 1.614,380 4.164,381 2.463,382 1.515,383 1.722,385 3.518,386 1.433,387 2.353,388 1.213,389 3.691,390 2.02,391 1.083,392 1.329,394 2.338,395 1.012,396 2.33,397 0.835,398 3.385,399 1.776,400 0.832,401 1.246,403 2.164,404 0.784,405 1.567,406 0.603,407 2.86,408 1.269,409 0.345,410 0.397,412 0.647,413 0.318,414 1.128,415 0.14,416 2.632,417 0.842,418 -0.11,419 -0.133,421 -0.219,422 -0.104,423 0.994,424 -0.179,425 2.344,426 0.555,427 -0.4,428 -0.522,430 -1.034,431 -0.381,432 0.575,433 -0.498,434 2.288,435 0.218,436 -0.737,437 -0.87,439 -1.65,440 -0.703,441 0.439,442 -0.809,443 2,444 0.066,445 -0.916,446 -1.245,448 -2.54,449 -0.896,450 0.13,451 -1.011,452 1.818,453 -0.204,454 -1.164,455 -1.381,457 -2.702,458 -1.116,459 -0.011,460 -1.169,461 1.478,462 -0.287,463 -1.265,464 -1.761,466 -3.54,467 -1.233,468 9,469 0.474,470 0.469,471 0.025,472 25.5,473 1.342,474 12.5,475 0.658,476 13,477 0.684,478 13.699,479 0.721,480 20.4,481 0.567,482 16.112,483 0.848,484 5.03,485 0.265,486 4.173,487 0.22,488 0.156,490 0.378,496 1.113,497 1.453,498 0.855,499 1.086,500 1.211,501 0.96,502 0.936,503 1.179,504 0.767,505 0.929,506 0.815,507 0.842,508 0.988,509 0.882,510 0.914,511 0.865,512 0.84,513 0.877,514 1.231,515 1.109,516 0.933,517 0.908,518 0.972,519 0.885,520 1.295,521 1.12,522 1.167,523 1.087,524 0.894,525 1.106,526 1.327,527 0.962,528 1.374,529 1.16,530 1.207,531 1.255,532 0.85,533 1.2,534 1.306,535 1.436,536 1.055,537 1.433,538 0.595,539 0.749,540 0.823,541 0.876,542 0.826,543 0.88,544 3.5,546 2.222,547 1.375,548 1.454,549 0.656,550 0.418,551 0.174,552 0.057,553 0.036,554 2834,555 6570,556 2.081,557 47.2,558 3,559 7,561 1,562 3,563 3,567 1.611,568 1.932,569 2.825,570 1.148,572 1,574 1,577 51.718,578 1.437,579 3.594,580 4.329,581 4.739,582 4.739,583 4.739,584 2.479,585 3.827,586 4.213,587 2.931,588 501.252,589 7.219,590 4721,591 1,592 1,594 1,595 186.117,596 1.462,597 4.171,598 0.167,600 0.074,601 0.044,602 0.05,603 0.026,604 0.023,605 0.019,606 0.011,607 0.018,608 0.433,609 0.67,610 1,611 1.315,612 79.957,613 -0.109,614 -0.209,615 0.048,616 -0.032,617 -0.217,618 0.019,619 0.126,620 -0.054,621 0.181,622 0.071,623 0.063,624 0.124,625 0.179,626 0.219,627 0.055,628 0.096,629 0.072,630 0.064,631 -0.146,632 -0.077,633 0.041,634 0.052,635 -0.075,636 0.069,637 -0.202,638 -0.031,639 -0.214,640 -0.116,641 -0.036,642 -0.158,643 -0.233,644 0.075,645 -0.411,646 -0.21,647 -0.202,648 -0.315,649 -0.11,650 -0.311,651 -0.358,652 -0.435,653 -0.137,654 -0.43,655 0.116,656 -0.049,657 0.189,658 0.085,659 0.185,660 0.137,661 0.931,662 1.645,663 0.684,664 12.554,665 0.995,666 1.138,667 1.582,668 2.504,669 0.655,670 3.091,671 3.434,672 3.761,673 4.111,674 4.394,675 4.511,676 4.625,677 4.718,678 4.635,679 4.419,680 4.312,681 0.619,682 255.36,683 3.091,684 4.635,685 5.509,686 6.418,687 7.324,688 8.245,689 9.162,690 10.086,691 11.007,692 11.933,693 13.9,694 1,698 1,701 1,703 2,708 3,709 4,710 2,714 3,716 15,728 1,735 36,737 15,738 1,739 21,741 38,742 14,743 10,744 3,745 3,748 3,749 6,754 3,762 10,763 4,780 1,783 17,784 4,785 3,786 5,789 1,792 5,797 0.333,806 1,815 1,816 2,819 1,820 1,836 1,843 1,847 2,851 19,852 1,858 2,860 1,881 9.833,882 7.017,883 4.222,884 2.124,886 3.249,887 1.477,888 1.023,889 3.03,890 10.063,891 3.384,892 4.099,893 4.83,894 5.573,895 6.223,896 6.693,897 7.17,898 7.636,899 7.911,900 8.024,901 1,902 31,903 6.979,905 2.907,906 7.579,907 13.517,909 11.008,911 2.079,912 39.5,913 0.001,916 164.795,917 73.612,918 85.765,923 73.612,924 164.795,925 85.765,926 17.65,927 37.109,928 28.429,929 65.068,930 15.664,931 7.229,932 153.024,934 164.795,935 159.377,939 164.795,943 68.952,944 38.843,945 51.582,947 164.795,948 85.765,949 73.612,952 164.795,953 18.485,954 56.413,955 18.011,956 66.468,957 164.795,958 85.765,959 73.612,961 0.577,962 0.343,963 0.202,964 0.125,965 16,966 7,967 0.079,968 3,969 2,970 1.308,971 3.051,972 147.565,973 0.308,974 13,975 80.711,981 12.24,982 4.704,983 2.02,984 2.895,985 84.479,986 8.112,987 9.093,991 3.102,993 50.908,994 324.173,995 28.5,1007 35.811,1008 40.983,1009 0.278,1010 0.695,1011 0.837,1012 0.917,1013 0.917,1014 0.917,1015 4.613,1016 0.832,1017 5.509,1018 2.338,1019 4.111,1020 4.783,1021 0.278,1022 6.382,1023 4.014,1024 5.863,1025 0.345,1026 7.101,1027 2.164,1028 3.761,1029 4.808,1031 7.405,1032 3.619,1033 7.209,1034 -0.11,1035 8.797,1036 0.647,1037 5.746,1038 7.195,1039 0.05,1040 10.575,1041 5.542,1042 8.601,1043 -0.4,1044 10.556,1045 -0.219,1046 6.236,1047 8.083,1049 12.461,1050 5.968,1051 10.029,1052 -0.737,1053 12.356,1054 -1.034,1055 7.706,1056 9.951,1057 0.008,1058 15.162,1059 7.382,1060 11.484,1061 -0.916,1062 14.185,1063 -1.65,1064 8.585,1065 11.226,1067 17.402,1068 8.187,1069 12.958,1070 -1.164,1071 16.035,1072 -2.54,1073 9.864,1074 12.904,1075 0.001,1076 19.95,1077 9.41,1078 3.312,1079 -1.265,1080 17.902,1081 -2.702,1082 10.919,1083 14.353,1085 22.333,1086 10.391,1087 2.62,1088 11.909,1089 19.783,1090 -3.54,1091 12.133,1092 15.962,1094 24.832,1095 11.545,1096 2.395,1097 8.489,1098 21.675,1099 4.874,1100 13.266,1101 17.487,1103 27.271,1104 12.606,1105 2.07,1106 7.507,1107 23.575,1108 3.81,1109 14.46,1110 19.074,1112 29.755,1113 13.738,1114 1.573,1115 5.788,1116 25.482,1117 3.245,1118 15.627,1119 20.631,1121 32.216,1122 14.836,1123 1.515,1124 4.435,1125 27.395,1126 2.848,1127 16.818,1128 22.212,1130 34.695,1131 15.963,1132 1.083,1133 3.518,1134 29.314,1135 2.238,1136 18.001,1137 23.783,1139 37.166,1140 17.078,1141 2858,1142 4446,1143 13.929,1144 23.597,1145 31.666,1146 31.612,1147 33.252,1148 31.444,1149 31.49,1150 43.418,1151 0.8,1152 93.594,1153 29.981,1154 5.579,1155 5.354,1156 6.852,1157 5.323,1158 5.312,1159 7.874,1160 0.8,1161 19.444,1162 5.111,1163 9.047,1164 1.508,1165 1.505,1166 1.583,1167 1.497,1168 1.5,1169 2.068,1170 0.038,1171 4.457,1172 1.428,1173 4.201,1174 4.246,1175 4.181,1176 4.062,1177 5.134,1178 4.085,1179 3.743,1180 3.786,1181 3.677,1182 3.636,1183 5.003,1184 3.643,1185 3.594,1186 3.686,1187 3.448,1188 3.372,1189 4.658,1190 3.377,1191 3.312,1192 3.391,1193 3.185,1194 3.144,1195 4.363,1196 3.142,1197 3.082,1198 3.177,1199 2.904,1200 2.901,1201 3.95,1202 2.888,1203 2.94,1204 3.059,1205 2.77,1206 2.749,1207 3.817,1208 2.747,1209 2.841,1210 2.921,1211 2.645,1212 2.583,1213 3.703,1214 2.581,1215 2.671,1216 2.794,1217 2.411,1218 2.359,1219 3.539,1220 2.354,1221 0.228,1222 0.16,1223 0.333,1224 0.202,1225 0.158,1226 4.786,1227 0.232,1228 3.354,1229 0.019,1230 6.991,1231 0.567,1232 4.251,1233 0.148,1234 3.312,1235 4.874,1236 0.4,1237 11.909,1238 3.111,1239 2.052,1240 2.019,1241 2.116,1242 2.186,1243 1.266,1244 2.164,1245 1.616,1246 1.555,1247 1.837,1248 1.839,1249 1.033,1250 1.846,1251 1.551,1252 1.489,1253 1.771,1254 1.727,1255 0.884,1256 1.745,1257 1.425,1258 1.353,1259 1.626,1260 1.645,1261 0.696,1262 1.645,1263 1.13,1264 1.056,1265 1.403,1266 1.347,1267 0.463,1268 1.378,1269 0.907,1270 0.822,1271 1.208,1272 1.249,1273 0.259,1274 1.24,1275 0.836,1276 0.717,1277 1.191,1278 1.131,1279 0.162,1280 1.166,1281 0.662,1282 0.537,1283 1.027,1284 0.956,1285 0.083,1286 0.985,1287 3.761,1289 5.094,1290 2.398,1291 6.637,1292 4.727,1293 8.293,1294 6.843,1295 10.014,1297 4.132,1301 5.541,1303 1.255,1305 3.238,1314 22.268,1315 51.718,1316 129.388,1317 155.853,1318 170.608,1319 170.608,1320 170.608,1321 20.527,1322 6.815,1323 68.24,1324 68.24,1325 17,1326 12.439,1327 4,1328 3.087,1329 27.561,1330 50,1331 59,1332 0.298,1333 139.29,1334 220.14,1335 331.628,1336 6817,1338 13.405,1339 0.706,1340 0.586,1341 13.405,1342 11.143,1343 9.203,1344 0.438,1345 0.304,1346 6.301,1347 8.874,1348 6.083,1349 5.102,1350 9.203,1351 6.388,1352 8.276,1353 0.276,1354 0.158,1355 8.276,1356 4.727,1357 7.051,1358 0.168,1359 0.076,1360 7.051,1361 3.191,1362 6.165,1363 0.103,1364 0.038,1365 6.165,1366 2.295,1367 5.355,1368 0.067,1369 0.02,1370 5.355,1371 1.629,1372 0.438,1373 57.386,1374 0.268,1375 18.391,1376 0.913,1377 102,1378 256.58,1379 111.381,1380 256.171,1381 367.36,1382 242,1383 123,1384 289.62,1385 133.685,1386 294.743,1387 437,1388 278,1389 5}
{0 CHEMBL253969,1 1.971,2 14.594,3 3.593,4 12.91,5 122.946,6 9.508,7 0.324,8 4.133,9 4.25,10 3.922,11 3.639,12 5.295,13 3.622,14 4.685,15 4.857,16 4.319,17 4.032,18 5.896,19 3.98,20 4.939,21 5.156,22 4.348,23 4.102,24 6.059,25 4.026,26 4.96,27 5.183,28 4.574,29 4.007,30 6.418,31 3.959,32 4.828,33 5.06,34 4.062,35 3.939,36 5.934,37 3.848,38 4.756,39 4.964,40 4.206,41 3.922,42 6.144,43 3.847,44 4.762,45 4.981,46 4.226,47 3.911,48 5.974,49 3.852,50 4.704,51 4.903,52 4.225,53 3.837,54 6.259,55 3.782,56 0.206,57 0.978,58 8.502,59 5.056,60 23.335,61 5.879,62 0.611,63 1.504,64 20.611,65 9.01,66 54.83,67 10.762,68 0.84,69 1.743,70 42.085,71 12.39,72 98.387,73 14.261,74 1.613,75 1.778,76 46.487,77 11.722,78 177.309,79 13.453,80 0.901,81 1.381,82 36.829,83 10.691,84 99.048,85 12.518,86 1.024,87 1.404,88 38.468,89 9.848,90 131.872,91 11.752,92 0.789,93 1.567,94 32.48,95 9.927,96 86.24,97 11.035,98 1.087,99 1.354,100 30.762,101 8.596,102 160.288,103 9.991,104 38,105 46,106 0.327,107 0.64,108 0.747,109 0.776,110 0.803,111 0.828,112 3.501,113 1.036,114 -3.66,115 -3.63,116 -3.45,117 1,119 35.7,121 4,125 5,142 2,143 2,144 3,147 1,153 1,158 1,159 1,163 1,164 1,165 1,172 2,174 1,175 7,177 1,178 3,179 1,180 3,183 5,185 1,188 1,191 1,193 1,199 2,200 5,202 2,203 4,204 1,205 2,207 1,208 4,212 1,213 1,216 2,218 1,221 2,224 2,225 4,227 1,228 3,229 1,230 2,232 1,233 3,235 1,237 1,238 1,241 1,243 2,246 1,250 7,255 6,258 1,260 3,264 5,269 3,274 1,276 2106,277 21.19,278 21.19,279 21.19,280 21.19,281 21.19,282 19.387,283 30.806,284 12.693,285 21.919,286 16.772,287 16.772,288 16.772,289 16.772,290 16.772,291 13.978,292 38.283,293 6.019,294 18.01,295 3.836,296 1.947,297 1.299,298 1.125,299 0.96,300 0.813,301 4.179,306 1,307 981,308 4.243,311 219.972,312 124.987,319 2.531,320 54.234,323 0.75,324 0.67,325 0.67,326 0.9,327 1,328 0.83,329 1,330 0.83,331 72.25,332 467,333 4.5,334 3.634,335 6.743,336 4.1,337 3.149,338 4.173,339 1.656,340 10.936,341 2.994,342 4.376,343 3.509,344 6.417,345 3.952,346 3.004,347 4.066,348 1.151,349 9.765,350 2.829,351 3.676,352 3.435,353 5.352,354 3.472,355 2.543,356 2.869,357 0.98,358 6.998,359 2.364,360 3.542,361 2.919,362 5.299,363 3.351,364 2.388,365 2.791,366 0.8,367 6.678,368 2.286,369 3.479,370 2.848,371 5.023,372 3.018,373 2.145,374 2.542,375 0.247,376 5.953,377 1.88,378 3.343,379 2.71,380 4.917,381 2.9,382 1.944,383 2.534,385 5.391,386 1.721,387 3.232,388 2.592,389 4.879,390 2.787,391 1.879,392 2.481,394 5.225,395 1.678,396 3.112,397 2.317,398 4.682,399 2.73,400 1.825,401 2.261,403 4.801,404 1.657,405 2.67,406 1.809,407 3.738,408 2.574,409 1.606,410 1.665,412 3.367,413 1.501,414 2.311,415 1.715,416 3.576,417 2.193,418 1.22,419 1.244,421 2.608,422 1.182,423 2.243,424 1.399,425 3.468,426 1.871,427 0.99,428 1.181,430 2.382,431 0.842,432 2.094,433 1.042,434 3.397,435 1.735,436 0.771,437 1.022,439 1.871,440 0.72,441 1.727,442 0.983,443 3.015,444 1.632,445 0.668,446 0.691,448 1.45,449 0.639,450 1.618,451 0.874,452 3,453 1.591,454 0.618,455 0.618,457 1.372,458 0.6,459 1.348,460 0.744,461 2.81,462 1.029,463 0.136,464 0.153,466 0.351,467 0.113,468 15.738,469 0.492,470 0.826,471 0.026,472 34.75,473 1.086,474 14,475 0.438,476 20.75,477 0.648,478 33.636,479 1.051,480 36.462,481 0.651,482 26.776,483 0.837,484 6.569,485 0.205,486 8.777,487 0.274,488 0.189,490 0.311,494 2,496 0.695,497 1.199,498 0.529,499 0.945,500 0.565,501 0.923,502 0.674,503 1.006,504 0.586,505 0.859,506 0.488,507 0.933,508 0.961,509 1.103,510 0.875,511 1.013,512 0.891,513 0.998,514 0.755,515 0.978,516 0.594,517 0.915,518 0.87,519 0.862,520 0.954,521 0.812,522 0.547,523 0.88,524 0.811,525 0.885,526 0.642,527 0.817,528 0.849,529 0.968,530 0.709,531 0.94,532 0.965,533 1.095,534 0.488,535 0.904,536 1.034,537 0.826,538 0.874,539 0.881,540 0.717,541 0.979,542 0.865,543 0.946,544 6.5,545 0.125,546 3.333,547 2.694,548 1.544,549 0.941,550 0.559,551 0.691,552 0.289,553 0.356,554 15582,555 51922,556 1.993,557 42.9,559 12,562 4,564 8,567 1.741,568 1.846,569 3.756,570 1.694,577 110.37,578 1.971,579 3.86,580 4.508,581 4.682,582 4.847,583 4.995,584 3.243,585 4.438,586 4.965,587 4.012,588 1989.89,589 8.671,590 31187.9,595 325.212,596 1.477,597 4.918,598 0.191,599 0.004,600 0.072,601 0.061,602 0.035,603 0.026,604 0.014,605 0.018,606 0.008,607 0.012,608 0.442,609 0.17,610 0.88,611 0.765,612 172.531,613 -0.077,614 -0.131,615 0.009,616 -0.025,617 -0.032,618 0.016,619 0.061,620 -0.041,621 0.043,622 0.036,623 0.111,624 0.016,625 -0.074,626 -0.169,627 -0.006,628 -0.069,629 -0.047,630 -0.009,631 0.383,632 0.054,633 0.187,634 0.008,635 0.24,636 0.09,637 -0.092,638 0.006,639 0.007,640 0.042,641 -0.04,642 0.083,643 0.229,644 0.041,645 -0.002,646 -0.01,647 0.193,648 0.027,649 -0.053,650 -0.153,651 0.076,652 0.037,653 -0.079,654 0.127,655 0.174,656 0.093,657 0.018,658 -0.021,659 0.269,660 -0.022,661 2.55,662 5.984,663 0.5,664 41.84,665 1.028,666 1.145,667 2.429,668 5.9,669 0.672,670 3.555,671 3.85,672 4.06,673 4.29,674 4.277,675 4.344,676 4.317,677 4.431,678 4.477,679 4.554,680 8.526,681 0.643,682 532.46,683 3.555,684 5.081,685 5.905,686 6.767,687 7.606,688 8.474,689 9.321,690 10.192,691 11.045,692 11.919,693 8.9,696 1,700 3,703 1,709 2,710 1,713 1,714 7,716 11,722 1,733 1,734 3,735 56,737 13,738 1,739 34,740 1,741 58,742 20,743 9,744 4,745 2,746 1,748 3,749 3,753 1,757 2,760 4,762 11,763 9,767 2,772 2,776 2,781 2,783 24,784 10,785 4,786 12,787 2,790 1,792 5,797 1,798 3,812 1,815 2,816 1,839 1,843 3,845 1,846 1,849 2,851 32,852 1,858 9,860 2,861 1,864 1,873 3,874 5.4,877 2,879 1,881 17.333,882 9.745,883 7.139,884 3.407,886 2.082,887 1.285,888 0.967,889 9.496,890 9.391,891 3.75,892 4.273,893 4.733,894 5.236,895 5.477,896 5.659,897 5.688,898 5.974,899 6.309,900 6.619,901 0.9,902 44,903 12.008,905 5.218,906 8.143,907 22.123,909 17.825,911 2.643,912 84.583,916 235.422,917 115.551,918 132.973,920 61.29,921 29.92,922 31.052,923 130.453,924 296.712,925 116.939,927 92.072,928 18.952,929 69.971,930 42.722,931 39.011,932 266.474,933 45.954,934 235.422,935 171.518,936 91.21,937 31.052,938 45.954,939 171.173,940 155.459,943 96.126,944 60.416,945 14.976,946 77.006,947 265.342,948 148.309,949 161.505,952 235.422,953 96.598,954 22.077,955 81.976,956 139.083,957 235.422,958 178.229,959 161.505,961 0.576,962 0.328,963 0.178,964 0.078,965 19,966 10,967 0.172,968 10,970 1,971 4.403,972 267.306,974 16,975 150,977 1,981 25.123,982 12.096,983 7.248,985 178.229,986 2.195,987 3.953,990 0.79,991 -1.958,993 68.919,994 575.156,995 41.5,1000 24.044,1004 -1.389,1007 57.541,1008 64.128,1009 0.339,1010 0.665,1011 0.776,1012 0.806,1013 0.835,1014 0.86,1015 4.989,1016 1.825,1017 5.883,1018 5.225,1019 4.533,1020 4.959,1021 2.427,1022 6.661,1023 4.392,1024 6.168,1025 1.606,1026 7.425,1027 4.801,1028 4.111,1029 4.832,1030 1.305,1031 7.532,1032 3.871,1033 7.462,1034 1.22,1035 9.069,1036 3.367,1037 6.089,1038 7.064,1039 2.833,1040 10.623,1041 5.832,1042 8.792,1043 0.99,1044 10.775,1045 2.608,1046 6.494,1047 7.778,1048 2.354,1049 12.377,1050 6.163,1051 10.157,1052 0.771,1053 12.523,1054 2.382,1055 7.939,1056 9.521,1057 3.475,1058 14.99,1059 7.58,1060 11.547,1061 0.668,1062 14.302,1063 1.871,1064 8.731,1065 10.615,1066 3.414,1067 17.111,1068 8.31,1069 12.956,1070 0.618,1071 16.105,1072 1.45,1073 9.972,1074 12.175,1075 4.274,1076 19.564,1077 9.515,1078 3.149,1079 0.136,1080 17.925,1081 1.372,1082 10.946,1083 13.444,1084 4.466,1085 21.835,1086 10.432,1087 3.004,1088 10.936,1089 19.761,1090 0.351,1091 12.11,1092 14.927,1093 5.169,1094 24.234,1095 11.554,1096 2.543,1097 9.765,1098 21.608,1099 4.173,1100 13.168,1101 16.276,1102 5.504,1103 26.565,1104 12.557,1105 2.388,1106 6.998,1107 23.465,1108 4.066,1109 14.305,1110 17.726,1111 6.119,1112 28.947,1113 13.649,1114 2.145,1115 6.678,1116 25.329,1117 2.869,1118 15.4,1119 19.111,1120 6.531,1121 31.303,1122 14.691,1123 1.944,1124 5.953,1125 27.2,1126 2.791,1127 16.53,1128 20.545,1129 7.097,1130 33.68,1131 15.772,1132 1.879,1133 5.391,1134 29.076,1135 2.542,1136 17.644,1137 21.947,1138 7.551,1139 36.049,1140 16.834,1141 15165,1142 28255,1143 22.076,1144 37.642,1145 49.924,1146 51.932,1147 51.458,1148 50.077,1149 49.77,1150 60.582,1151 9.668,1152 138.294,1153 46.012,1154 5.485,1155 5.634,1156 6.524,1157 5.208,1158 5.149,1159 7.173,1160 2.912,1161 17.77,1162 4.994,1163 18.579,1164 1.468,1165 1.527,1166 1.513,1167 1.473,1168 1.464,1169 1.782,1170 0.284,1171 4.067,1172 1.353,1173 3.97,1174 3.992,1175 6.88,1176 3.894,1177 8.21,1178 3.884,1179 3.878,1180 3.934,1181 4.229,1182 3.813,1183 8.191,1184 3.779,1185 3.855,1186 3.879,1187 3.831,1188 3.704,1189 7.438,1190 3.699,1191 3.657,1192 3.724,1193 3.738,1194 3.487,1195 7.43,1196 3.478,1197 3.406,1198 3.464,1199 3.539,1200 3.139,1201 4.949,1202 3.171,1203 3.266,1204 3.313,1205 3.333,1206 3.092,1207 4.818,1208 3.068,1209 3.159,1210 3.22,1211 3.278,1212 2.939,1213 4.523,1214 2.939,1215 3.025,1216 3.093,1217 3.041,1218 2.783,1219 4.361,1220 2.793,1221 0.132,1222 0.107,1223 0.198,1224 0.121,1225 0.093,1226 4.5,1227 0.123,1228 3.634,1229 0.049,1230 6.743,1231 0.322,1232 4.1,1233 0.088,1234 3.149,1235 4.173,1236 1.656,1237 10.936,1238 2.994,1239 1.882,1240 1.869,1241 1.971,1242 1.978,1243 1.308,1244 1.969,1245 1.731,1246 1.664,1247 1.924,1248 1.939,1249 1.211,1250 1.951,1251 1.598,1252 1.582,1253 1.86,1254 1.809,1255 1.116,1256 1.793,1257 1.577,1258 1.507,1259 1.717,1260 1.751,1261 1.002,1262 1.779,1263 1.455,1264 1.382,1265 1.627,1266 1.718,1267 0.754,1268 1.699,1269 1.275,1270 1.239,1271 1.47,1272 1.542,1273 0.691,1274 1.531,1275 1.169,1276 1.121,1277 1.389,1278 1.449,1279 0.59,1280 1.433,1281 1.03,1282 0.979,1283 1.266,1284 1.278,1285 0.255,1286 1.311,1287 4.234,1289 5.533,1290 3.045,1291 6.999,1292 5.283,1293 8.553,1294 7.273,1295 10.16,1296 3.001,1299 27.968,1301 5.401,1303 7.578,1305 5.257,1306 5.337,1309 2.407,1314 36.025,1315 110.37,1316 216.153,1317 252.457,1318 262.192,1319 271.437,1320 279.702,1321 102.472,1322 7.309,1323 109.58,1324 137.82,1325 16,1326 12.464,1327 3.807,1328 3.087,1329 61.51,1330 159,1331 171,1332 0.18,1333 231.347,1334 408.5,1335 556.246,1336 16212,1337 5.4,1338 23.087,1339 0.721,1340 0.614,1341 22.7,1342 19.66,1343 15.346,1344 0.451,1345 0.345,1346 10.089,1347 13.507,1348 9.855,1349 8.1,1350 15.556,1351 11.744,1352 13.821,1353 0.3,1354 0.196,1355 14.119,1356 9.019,1357 10.637,1358 0.187,1359 0.108,1360 11.088,1361 6.182,1362 9.186,1363 0.128,1364 0.062,1365 9.248,1366 4.481,1367 5.646,1368 0.08,1369 0.035,1370 6.73,1371 2.482,1372 0.292,1373 111.003,1374 0.213,1375 30.806,1376 0.466,1377 160,1378 658.212,1379 273.223,1380 628.597,1381 805.15,1382 580,1383 183,1384 516.052,1385 255.843,1386 534.408,1387 779.16,1388 500,1389 5.1}
{0 CHEMBL255863,1 1.716,2 14.769,3 5.084,4 25.849,5 140.252,6 8.681,7 0.674,8 4.236,9 4.35,10 3.921,11 3.781,12 5.478,13 3.8,14 4.739,15 4.893,16 4.349,17 4.15,18 6.333,19 4.161,20 4.908,21 5.077,22 4.326,23 4.265,24 6.178,25 4.25,26 5.037,27 5.246,28 4.309,29 4.247,30 6.287,31 4.228,32 5.006,33 5.216,34 4.393,35 4.231,36 6.329,37 4.226,38 4.99,39 5.176,40 4.366,41 4.232,42 6.37,43 4.24,44 5.048,45 5.25,46 4.376,47 4.214,48 6.634,49 4.208,50 4.881,51 5.068,52 4.22,53 4.165,54 6.205,55 4.141,56 0.17,57 1.169,58 8.678,59 4.973,60 20.21,61 5.501,62 0.955,63 2.17,64 18.501,65 8.284,66 141.288,67 9.406,68 0.491,69 2.047,70 21.562,71 9.741,72 36.543,73 11.338,74 0.855,75 2.22,76 30.557,77 11.422,78 98.132,79 13.327,80 1.003,81 2.211,82 29.88,83 10.502,84 81.361,85 13.362,86 0.867,87 2.306,88 26.91,89 10.516,90 89.115,91 11.17,92 1.472,93 2.324,94 32.789,95 11.889,96 229.403,97 13.493,98 0.573,99 1.98,100 23.789,101 10.394,102 53.249,103 12.151,104 38,105 62,106 0.271,107 0.601,108 0.777,109 0.884,110 0.9,111 0.9,112 3.693,113 0.824,114 -4.91,115 -4.82,116 -4.52,119 45.9,120 2,132 1,142 9,143 4,144 3,145 3,146 2,150 1,151 1,158 1,160 1,172 9,174 2,175 9,178 3,180 5,183 10,188 6,193 6,196 6,199 1,200 13,203 1,205 5,208 4,213 10,216 1,217 1,218 2,221 7,224 2,225 7,228 2,230 2,233 10,237 2,238 2,241 2,243 3,246 14,249 1,250 4,255 1,258 11,264 13,267 1,269 3,272 7,276 3094,277 25.814,278 25.814,279 25.814,280 25.814,281 25.814,282 22.293,283 30.805,284 15.035,285 26.516,286 21.272,287 21.272,288 21.272,289 21.272,290 21.272,291 15.941,292 46.278,293 7.232,294 22.486,295 4.215,296 2.125,297 1.009,298 0.332,299 0.234,300 0.234,301 4.393,306 1,307 1254,308 4.062,311 114.279,312 548.768,319 2.26,320 57.195,323 0.75,324 0.83,325 0.83,326 0.5,328 0.83,329 1,330 0.68,331 87,332 576,333 4.516,334 4.461,335 7.125,336 4.212,337 3.338,338 4.104,339 3.825,340 11.744,341 2.993,342 4.341,343 3.578,344 6.23,345 3.965,346 2.986,347 3.987,348 1.058,349 9.365,350 2.921,351 4.247,352 3.065,353 6.194,354 3.853,355 2.904,356 3.889,357 0.4,358 9.271,359 2.802,360 4.213,361 3.035,362 6.156,363 3.814,364 2.867,365 3.686,367 9.107,368 2.624,369 3.94,370 2.856,371 5.884,372 3.599,373 2.624,374 3.318,376 8.158,377 2.555,378 3.765,379 2.59,380 5.369,381 3.341,382 2.389,383 3.207,385 7.021,386 2.252,387 3.687,388 2.418,389 5.267,390 3.229,391 2.28,392 3.079,394 6.633,395 2.147,396 3.38,397 2.249,398 4.994,399 3,400 2.039,401 2.664,403 5.878,404 1.957,405 3.207,406 1.888,407 4.546,408 2.733,409 1.775,410 2.493,412 4.537,413 1.698,414 2.882,415 1.829,416 4.413,417 2.451,418 1.521,419 2.009,421 4.415,422 1.398,423 2.854,424 1.804,425 4.165,426 2.412,427 1.441,428 1.972,430 3.71,431 1.387,432 2.715,433 1.54,434 4.08,435 2.225,436 1.24,437 1.806,439 3.324,440 1.209,441 2.709,442 1.262,443 3.993,444 2.206,445 1.212,446 1.72,448 3.127,449 1.196,450 2.566,451 1.23,452 3.541,453 2.074,454 1.119,455 1.592,457 2.791,458 1.062,459 2.5,460 1,461 3.429,462 1.961,463 1,464 1.5,466 2.387,467 0.958,468 17.99,469 0.461,470 1.192,471 0.031,472 56.75,473 1.455,474 30.5,475 0.782,476 26.25,477 0.673,478 30.899,479 0.792,480 40.81,481 0.669,482 50.805,483 1.303,484 11.496,485 0.295,486 7.156,487 0.183,488 0.122,489 0.028,490 0.328,493 3,496 0.624,497 1.087,498 0.632,499 1.01,500 0.588,501 0.869,502 0.46,503 0.785,504 0.665,505 0.88,506 0.388,507 0.848,508 0.76,509 1.049,510 0.956,511 1.154,512 0.62,513 1.121,514 1.06,515 1.016,516 1.05,517 1.021,518 1.025,519 1.022,520 0.706,521 0.779,522 0.767,523 0.854,524 0.79,525 0.838,526 1.259,527 1.119,528 1.112,529 1.034,530 1.253,531 1.017,532 1.072,533 0.938,534 1,535 0.903,536 1.176,537 0.93,538 0.878,539 1.073,540 0.946,541 1.157,542 0.837,543 1.102,544 10,545 0.33,546 4.444,547 2.535,548 2.388,549 1.514,550 1.2,551 0.895,552 0.468,553 0.398,554 25702,555 83160,556 2.073,557 36.1,558 3,559 9,560 1,561 4,562 2,563 3,567 1.794,568 1.926,569 3.82,570 0.187,577 104.655,578 1.716,579 3.806,580 4.922,581 5.599,582 5.697,583 5.697,584 3.234,585 4.888,586 5.259,587 4.011,588 2972.38,589 9.274,590 51240.4,595 361.775,596 1.568,597 5.205,598 0.233,599 0.008,600 0.072,601 0.042,602 0.041,603 0.024,604 0.02,605 0.015,606 0.009,607 0.008,608 0.471,609 0.17,610 0.75,611 0.686,612 219.503,613 -0.056,614 -0.147,615 0.029,616 -0.055,617 -0.102,618 -0.001,619 0.39,620 0.249,621 0.144,622 0.076,623 0.408,624 0.039,625 -0.096,626 -0.186,627 -0.141,628 -0.208,629 -0.017,630 -0.191,631 -0.136,632 -0.088,633 -0.079,634 -0.057,635 -0.117,636 -0.047,637 0.158,638 0.088,639 0.199,640 0.091,641 0.048,642 0.133,643 -0.171,644 -0.056,645 -0.175,646 -0.078,647 -0.154,648 -0.107,649 0.178,650 0.118,651 0.042,652 0.097,653 0.187,654 0.041,655 -0.045,656 -0.177,657 -0.032,658 -0.162,659 0.021,660 -0.111,661 5.851,662 6.105,663 0.744,664 46.154,665 1.025,666 1.139,667 3.679,668 13.535,669 0.691,670 3.784,671 4.143,672 4.369,673 4.615,674 4.868,675 4.927,676 5.088,677 5.176,678 5.273,679 5.323,680 8.641,681 0.685,682 529.57,683 3.784,684 5.352,685 6.196,686 7.083,687 7.946,688 8.831,689 9.701,690 10.586,691 11.46,692 12.344,693 11.5,700 1,701 2,703 4,709 14,710 4,714 10,715 1,716 29,723 1,728 1,735 61,737 30,738 2,739 43,741 65,742 28,743 24,744 6,745 6,746 1,748 5,749 5,754 3,759 1,762 25,763 3,767 1,772 1,776 1,781 3,783 22,784 10,785 2,786 11,789 1,792 7,797 1,798 1,809 1,810 1,815 1,816 4,843 5,847 2,849 3,851 39,860 2,865 1,873 3,874 1.6,877 1,881 20.25,882 11.762,883 8.278,884 3.41,886 5.103,887 1.603,888 1.019,889 7.146,890 13.567,891 4.086,892 4.721,893 5.288,894 5.865,895 6.4,896 6.641,897 7.065,898 7.408,899 7.777,900 8.076,901 0.9,902 61,903 14.942,905 6.945,906 8.105,907 26.449,909 21.427,911 2.605,912 101.583,916 235.422,917 188.634,918 105.063,920 25.145,921 44.88,923 188.634,924 260.567,925 149.943,926 17.65,927 18.011,928 94.334,929 152.695,930 118.458,931 13.67,932 176.567,933 7.76,934 235.422,935 293.697,936 70.025,939 235.422,940 70.025,943 106.504,944 120.051,945 67.142,947 280.302,948 130.208,949 188.634,952 243.182,953 33.13,954 149.644,955 36.022,956 137.167,957 235.422,958 175.088,959 188.634,961 0.594,962 0.333,963 0.172,964 0.1,965 30,966 14,967 0.092,968 6,970 1,971 4.832,972 388.098,974 29,975 201.376,981 26.09,982 10.683,983 6.14,985 173.189,986 21.707,987 16.954,991 3.407,992 1.466,993 36.022,994 599.144,995 58.5,1000 13.105,1004 -0.574,1007 62.53,1008 69.453,1009 0.289,1010 0.642,1011 0.83,1012 0.944,1013 0.961,1014 0.961,1015 5.334,1016 2.039,1017 6.217,1018 6.633,1019 4.828,1020 5.409,1021 3.153,1022 7.043,1023 4.725,1024 6.571,1025 1.775,1026 7.793,1027 5.878,1028 4.575,1029 5.223,1030 3.903,1031 8.089,1032 4.358,1033 7.891,1034 1.521,1035 9.473,1036 4.537,1037 6.482,1038 7.607,1039 5.432,1040 11.104,1041 6.263,1042 9.244,1043 1.441,1044 11.215,1045 4.415,1046 7.004,1047 8.172,1048 6.69,1049 12.95,1050 6.662,1051 10.624,1052 1.24,1053 12.998,1054 3.71,1055 8.431,1056 10.051,1057 8.059,1058 15.535,1059 8.072,1060 12.024,1061 1.212,1062 14.809,1063 3.324,1064 9.295,1065 10.98,1066 9.388,1067 17.711,1068 8.817,1069 13.438,1070 1.119,1071 16.642,1072 3.127,1073 10.543,1074 12.624,1075 10.734,1076 20.169,1077 10.025,1078 3.338,1079 1,1080 18.493,1081 2.791,1082 11.563,1083 13.75,1084 12.074,1085 22.49,1086 10.934,1087 2.986,1088 11.744,1089 20.357,1090 2.387,1091 12.745,1092 15.272,1093 13.416,1094 24.919,1095 12.055,1096 2.904,1097 9.365,1098 22.234,1099 4.104,1100 13.84,1101 16.509,1102 14.758,1103 27.306,1104 13.045,1105 2.867,1106 9.271,1107 24.12,1108 3.987,1109 15.004,1110 17.967,1111 16.1,1112 29.737,1113 14.131,1114 2.624,1115 9.107,1116 26.016,1117 3.889,1118 16.136,1119 19.266,1120 17.441,1121 32.158,1122 15.159,1123 2.389,1124 8.158,1125 27.92,1126 3.686,1127 17.298,1128 20.691,1129 18.783,1130 34.597,1131 16.232,1132 2.28,1133 7.021,1134 29.83,1135 3.318,1136 18.452,1137 22.027,1138 20.124,1139 37.035,1140 17.281,1141 24093,1142 43633,1143 28.433,1144 42.159,1145 66.416,1146 66.191,1147 65.954,1148 65.455,1149 65.288,1150 87.634,1151 10.567,1152 191.684,1153 61.873,1154 5.361,1155 6.461,1156 6.927,1157 5.283,1158 5.338,1159 7.104,1160 5.335,1161 18.855,1162 4.993,1163 20.985,1164 1.545,1165 1.539,1166 1.534,1167 1.522,1168 1.518,1169 2.038,1170 0.246,1171 4.458,1172 1.439,1173 4.066,1174 4.107,1175 4.029,1176 3.952,1177 8.513,1178 3.964,1179 3.979,1180 4.02,1181 3.94,1182 3.873,1183 7.999,1184 3.882,1185 3.906,1186 3.938,1187 3.859,1188 3.821,1189 7.999,1190 3.827,1191 3.78,1192 3.826,1193 3.74,1194 3.625,1195 7.429,1196 3.645,1197 3.669,1198 3.725,1199 3.615,1200 3.506,1201 5.05,1202 3.526,1203 3.428,1204 3.47,1205 3.407,1206 3.209,1207 4.963,1208 3.237,1209 3.271,1210 3.321,1211 3.234,1212 3.016,1213 4.84,1214 3.055,1215 3.09,1216 3.186,1217 2.959,1218 2.895,1219 4.687,1220 2.897,1221 0.105,1222 0.104,1223 0.166,1224 0.098,1225 0.078,1226 4.516,1227 0.095,1228 4.461,1229 0.089,1230 7.125,1231 0.273,1232 4.212,1233 0.07,1234 3.338,1235 4.104,1236 3.825,1237 11.744,1238 2.993,1239 1.959,1240 1.933,1241 2.045,1242 2.075,1243 1.17,1244 2.064,1245 1.915,1246 1.886,1247 1.996,1248 2.039,1249 1.134,1250 2.026,1251 1.88,1252 1.85,1253 1.976,1254 1.98,1255 1.027,1256 1.982,1257 1.609,1258 1.558,1259 1.753,1260 1.796,1261 0.829,1262 1.78,1263 1.535,1264 1.479,1265 1.729,1266 1.714,1267 0.692,1268 1.727,1269 1.357,1270 1.3,1271 1.566,1272 1.619,1273 0.634,1274 1.588,1275 1.305,1276 1.253,1277 1.466,1278 1.566,1279 0.521,1280 1.527,1281 1.092,1282 1.033,1283 1.272,1284 1.374,1285 0.305,1286 1.359,1287 4.466,1289 5.814,1290 2.398,1291 7.339,1292 4.595,1293 8.94,1294 6.555,1295 10.582,1297 3.581,1299 40.827,1305 5.712,1310 -4.601,1314 41.756,1315 104.655,1316 232.168,1317 300.226,1318 341.51,1319 347.51,1320 347.51,1321 85.784,1322 8.465,1323 97.62,1324 97.62,1325 29,1326 12.879,1327 4.954,1328 4.044,1329 61.503,1330 204,1331 206,1332 0.144,1333 253.629,1334 441.06,1335 610.615,1336 68091,1337 4.9,1338 27.57,1339 0.707,1340 0.535,1341 25.07,1342 20.861,1343 18.652,1344 0.434,1345 0.275,1346 11.601,1347 17.793,1348 11.329,1349 9.408,1350 17.441,1351 11.813,1352 18.024,1353 0.291,1354 0.142,1355 16.067,1356 8.805,1357 14.157,1358 0.181,1359 0.075,1360 13.168,1361 5.872,1362 11.472,1363 0.115,1364 0.039,1365 11.083,1366 3.874,1367 9.646,1368 0.075,1369 0.02,1370 8.933,1371 2.634,1372 0.229,1373 117.947,1374 0.188,1375 35.356,1376 0.383,1377 210,1378 808.96,1379 242.858,1380 710.72,1381 948.68,1382 660,1383 245,1384 687.524,1385 271.652,1386 681.67,1387 1009.01,1388 638,1389 5}
{0 CHEMBL256835,1 1.654,2 9.037,3 3.661,4 13.404,5 99.287,6 7.676,7 0.567,8 3.988,9 4.101,10 3.58,11 3.499,12 5.12,13 3.499,14 4.538,15 4.705,16 3.946,17 3.899,18 5.65,19 3.876,20 4.797,21 5.013,22 3.99,23 4.036,24 5.835,25 3.981,26 4.849,27 5.085,28 3.967,29 4.042,30 5.853,31 3.981,32 4.798,33 5.02,34 3.998,35 4.078,36 5.776,37 4.011,38 4.807,39 5.012,40 4.03,41 4.085,42 5.883,43 4.024,44 4.853,45 5.066,46 3.968,47 4.069,48 5.924,49 3.993,50 4.88,51 5.121,52 3.765,53 3.962,54 5.922,55 3.85,56 0.069,57 0.787,58 9.408,59 4.349,60 12.226,61 5.44,62 0.36,63 1.266,64 18.712,65 7.236,66 33.604,67 9.385,68 0.409,69 1.544,70 26.544,71 9.456,72 53.218,73 12.735,74 0.527,75 1.563,76 28.885,77 9.096,78 60.474,79 12.788,80 0.448,81 1.517,82 26.039,83 9.087,84 36.079,85 12.986,86 0.416,87 1.573,88 25.499,89 9.222,90 43.596,91 12.828,92 0.465,93 1.579,94 27.782,95 10.083,96 47.015,97 13.69,98 0.582,99 1.498,100 30.642,101 10.431,102 68.225,103 14.215,104 11,105 42,106 0.281,107 0.615,108 0.777,109 0.832,110 0.832,111 0.832,112 3.341,113 0.904,114 -4.65,115 -4.57,116 -4.3,119 41.7,121 4,124 1,127 2,142 5,143 1,144 1,145 1,146 2,150 1,152 1,160 1,172 6,174 4,175 5,180 2,183 6,187 1,188 6,193 2,196 4,199 1,200 9,208 1,212 2,213 8,216 1,221 6,224 2,225 6,233 10,238 8,241 1,246 8,250 8,253 1,255 2,258 4,269 2,276 1254,277 18.524,278 18.524,279 18.524,280 18.524,281 18.524,282 16.553,283 14.422,284 10.86,285 19.088,286 14.746,287 14.746,288 14.746,289 14.746,290 14.746,291 11.742,292 11.476,293 5.089,294 15.639,295 3.931,296 1.961,297 1.008,298 0.682,299 0.682,300 0.682,301 4.038,304 1,305 1,306 1,307 527,308 2.345,311 72.698,312 249.04,319 1.303,320 30.41,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 59.5,332 244,333 4.623,334 3.334,335 6.988,336 4.24,337 3.286,338 4.34,339 0.86,340 11.923,341 3.14,342 4.055,343 2.923,344 6.079,345 3.685,346 2.713,347 3.662,349 8.757,350 2.633,351 3.94,352 2.861,353 5.755,354 3.573,355 2.638,356 3.462,358 7.896,359 2.486,360 3.646,361 2.72,362 5.286,363 3.335,364 2.404,365 2.898,367 6.626,368 2.218,369 3.416,370 2.489,371 5.028,372 3.142,373 2.203,374 2.622,376 6.012,377 2.055,378 3.273,379 2.255,380 5.013,381 2.966,382 2.039,383 2.395,385 5.897,386 1.871,387 2.93,388 1.726,389 4.594,390 2.556,391 1.61,392 2.036,394 4.536,395 1.514,396 2.696,397 1.308,398 4.146,399 2.17,400 1.236,401 1.785,403 3.092,404 1.151,405 2.5,406 1.144,407 3.746,408 2,409 1.046,410 1.5,412 2.734,413 1,414 2.376,415 1,416 3.471,417 2,418 1,419 1.343,421 2.275,422 1,423 2.287,424 1,425 3.414,426 1.99,427 1,428 1.19,430 2.275,431 0.982,432 2,433 0.937,434 3.414,435 1.725,436 0.807,437 1,439 2.122,440 0.74,441 1.583,442 0.804,443 2.795,444 1.271,445 0.427,446 0.48,448 0.621,449 0.359,450 1.175,451 0.364,452 2.677,453 0.866,454 -0.063,455 -0.071,457 -0.145,458 -0.057,459 0.899,460 0.113,461 2.33,462 0.65,463 -0.264,464 -0.304,466 -0.584,467 -0.235,468 12.552,469 0.465,470 0.606,471 0.022,472 34.75,473 1.287,474 16.5,475 0.611,476 18.25,477 0.676,478 22.839,479 0.846,480 29.448,481 0.613,482 25.684,483 0.951,484 6.653,485 0.246,486 6.499,487 0.241,488 0.089,490 0.351,494 1,496 0.763,497 1.256,498 0.737,499 1.142,500 0.681,501 0.977,502 0.811,503 1.005,504 0.855,505 0.977,506 0.644,507 0.941,508 0.922,509 1.057,510 0.915,511 0.998,512 0.922,513 0.962,514 0.964,515 0.891,516 0.975,517 0.841,518 0.857,519 0.882,520 0.581,521 0.846,522 0.879,523 0.904,524 0.456,525 0.937,526 0.653,527 0.956,528 0.966,529 1.098,530 0.528,531 1.091,532 0.814,533 0.982,534 1.027,535 1.143,536 0.726,537 1.134,538 0.974,539 0.959,540 1.132,541 1.154,542 0.798,543 1.18,544 5,545 0.115,546 3.111,547 1.528,548 1.697,549 1.035,550 0.578,551 0.525,552 0.319,553 0.254,554 7997,555 23274,556 2.12,557 43.8,559 10,561 2,562 1,564 8,567 1.71,568 2,569 3.159,570 -0.309,572 1,577 79.401,578 1.654,579 3.624,580 4.577,581 4.903,582 4.903,583 4.903,584 2.63,585 3.792,586 4.721,587 3.309,588 1161.32,589 8.252,590 14532.4,592 1,594 1,595 268.078,596 1.352,597 4.694,598 0.167,599 0.01,600 0.074,601 0.036,602 0.04,603 0.024,604 0.013,605 0.013,606 0.011,607 0.013,608 0.4,609 0.17,610 1,611 0.704,612 130.885,613 -0.055,614 -0.193,615 0.049,616 -0.073,617 -0.05,618 -0.007,619 0.036,620 -0.002,621 0.021,622 0.025,623 0.045,624 0.011,625 -0.071,626 -0.08,627 0.021,628 -0.005,629 -0.029,630 0.021,631 -0.132,632 0.04,633 -0.021,634 0.1,635 -0.094,636 0.076,637 0.025,638 0.042,639 0.016,640 0.061,641 -0.014,642 0.042,643 0.034,644 -0.01,645 -0.078,646 -0.123,647 0.025,648 -0.123,649 0.001,650 -0.059,651 -0.102,652 -0.153,653 -0.007,654 -0.15,655 -0.027,656 -0.074,657 -0.145,658 -0.178,659 0.004,660 -0.188,661 1.954,662 5.371,663 0.852,664 23.457,665 1.011,666 1.135,667 3.421,668 11.705,669 0.661,670 3.434,671 3.761,672 4.06,673 4.357,674 4.635,675 4.754,676 4.913,677 5.069,678 5.165,679 5.165,680 5.641,681 0.638,682 368.45,683 3.434,684 4.977,685 5.838,686 6.725,687 7.61,688 8.509,689 9.406,690 10.311,691 11.215,692 12.124,693 8.3,701 1,703 3,709 7,710 3,714 6,715 1,716 17,733 1,734 1,735 48,737 17,738 1,739 30,741 51,742 20,743 13,744 2,745 4,748 4,749 4,757 6,760 6,762 13,763 7,779 1,780 1,781 1,783 21,784 6,785 1,786 7,789 1,792 4,797 1,798 2,800 1,810 1,815 1,816 3,841 1,843 4,847 1,849 1,851 27,857 1,858 4,861 1,863 2,873 1,874 4.2,875 1,879 1,881 13.5,882 8.81,883 5.972,884 2.932,886 2.845,887 1.383,888 0.953,889 5.083,890 10.265,891 3.676,892 4.266,893 4.867,894 5.476,895 6.011,896 6.353,897 6.785,898 7.211,899 7.573,900 7.811,901 1,902 43,903 9.998,905 4.312,906 7.84,907 19.038,909 15.885,911 2.34,912 63.167,915 1,916 235.422,917 111.031,918 52.256,920 53.683,921 14.96,923 111.031,924 289.105,925 67.216,926 10.883,927 10.138,928 90.065,929 82.517,930 39.766,931 22.103,932 211.88,934 235.422,935 163.287,936 68.643,939 156.213,940 105.169,941 42.683,943 39.603,944 73.328,945 50.357,947 250.382,948 105.939,949 111.031,952 235.422,953 35.101,954 77.829,956 119,957 235.422,958 120.899,959 111.031,961 0.579,962 0.341,963 0.186,964 0.111,965 21,966 9,967 0.078,968 4,970 1,971 3.791,972 242.229,974 23,975 120.382,981 17.934,982 7.653,983 3.674,985 119,986 11.567,987 13.197,991 3.1,992 2.117,993 42.683,994 467.352,995 38.5,1007 48.527,1008 54.489,1009 0.296,1010 0.649,1011 0.82,1012 0.878,1013 0.878,1014 0.878,1015 4.914,1016 1.236,1017 5.82,1018 4.536,1019 4.443,1020 4.952,1021 0.908,1022 6.645,1023 4.335,1024 6.108,1025 1.046,1026 7.383,1027 3.092,1028 4.007,1029 4.677,1031 7.594,1032 3.826,1033 7.408,1034 1,1035 9.048,1036 2.734,1037 6.043,1038 7.118,1039 0.739,1040 10.726,1041 5.841,1042 8.745,1043 1,1044 10.775,1045 2.275,1046 6.447,1047 7.703,1049 12.571,1050 6.176,1051 10.118,1052 0.807,1053 12.545,1054 2.275,1055 7.938,1056 9.592,1057 0.593,1058 15.244,1059 7.651,1060 11.516,1061 0.427,1062 14.347,1063 2.122,1064 8.737,1065 10.594,1067 17.465,1068 8.388,1069 12.935,1070 -0.063,1071 16.173,1072 0.621,1073 10.017,1074 12.244,1075 0.469,1076 19.998,1077 9.644,1078 3.286,1079 -0.264,1080 18.019,1081 -0.145,1082 11.01,1083 13.463,1085 22.373,1086 10.583,1087 2.713,1088 11.923,1089 19.882,1090 -0.584,1091 12.21,1092 15.004,1093 0.366,1094 24.864,1095 11.753,1096 2.638,1097 8.757,1098 21.757,1099 4.34,1100 13.299,1101 16.337,1103 27.3,1104 12.791,1105 2.404,1106 7.896,1107 23.644,1108 3.662,1109 14.475,1110 17.829,1111 0.283,1112 29.78,1113 13.93,1114 2.203,1115 6.626,1116 25.54,1117 3.462,1118 15.611,1119 19.222,1121 32.24,1122 15.018,1123 2.039,1124 6.012,1125 27.444,1126 2.898,1127 16.783,1128 20.694,1129 0.217,1130 34.717,1131 16.149,1132 1.61,1133 5.897,1134 29.354,1135 2.622,1136 17.943,1137 22.119,1139 37.188,1140 17.262,1141 7690,1142 13245,1143 20.285,1144 31.722,1145 45.287,1146 45.539,1147 46.671,1148 44.867,1149 44.817,1150 57.426,1151 1.72,1152 129.533,1153 42.294,1154 5.623,1155 5.334,1156 6.578,1157 5.313,1158 5.286,1159 7.34,1160 1.72,1161 19.3,1162 5.14,1163 11.908,1164 1.51,1165 1.518,1166 1.556,1167 1.496,1168 1.494,1169 1.914,1170 0.057,1171 4.318,1172 1.41,1173 4.088,1174 4.132,1175 4.052,1176 3.962,1177 8.201,1178 3.977,1179 3.86,1180 3.897,1181 3.794,1182 3.762,1183 6.449,1184 3.761,1185 3.801,1186 3.845,1187 3.725,1188 3.653,1189 5.096,1190 3.664,1191 3.616,1192 3.671,1193 3.548,1194 3.41,1195 4.885,1196 3.441,1197 3.24,1198 3.306,1199 3.058,1200 2.96,1201 4.544,1202 2.971,1203 3.111,1204 3.206,1205 2.989,1206 2.941,1207 4.386,1208 2.919,1209 3.109,1210 3.164,1211 2.866,1212 2.913,1213 4.124,1214 2.91,1215 2.854,1216 2.925,1217 2.764,1218 2.735,1219 3.913,1220 2.715,1221 0.154,1222 0.111,1223 0.233,1224 0.141,1225 0.11,1226 4.623,1227 0.145,1228 3.334,1229 0.029,1230 6.988,1231 0.397,1232 4.24,1233 0.105,1234 3.286,1235 4.34,1236 0.86,1237 11.923,1238 3.14,1239 1.928,1240 1.899,1241 2.083,1242 2.067,1243 1.473,1244 2.071,1245 1.871,1246 1.827,1247 1.995,1248 1.988,1249 1.103,1250 1.991,1251 1.74,1252 1.7,1253 1.834,1254 1.919,1255 0.905,1256 1.897,1257 1.361,1258 1.301,1259 1.581,1260 1.627,1261 0.825,1262 1.605,1263 1.243,1264 1.196,1265 1.522,1266 1.513,1267 0.746,1268 1.524,1269 1.168,1270 1.098,1271 1.513,1272 1.39,1273 0.578,1274 1.429,1275 1.153,1276 1.064,1277 1.301,1278 1.376,1279 0.38,1280 1.368,1281 0.923,1282 0.852,1283 1.198,1284 1.197,1285 0.285,1286 1.2,1287 4.111,1289 5.434,1290 2.398,1291 6.957,1292 4.727,1293 8.57,1294 6.862,1295 10.229,1297 1.528,1299 13.371,1302 9.84,1303 3.272,1306 5.179,1308 -0.005,1314 30.64,1315 79.401,1316 173.956,1317 219.714,1318 235.323,1319 235.323,1320 235.323,1321 47.161,1322 7.421,1323 73.06,1324 73.06,1325 23,1326 12.641,1327 4.17,1328 3.248,1329 39.743,1330 84,1331 103,1332 0.219,1333 185.992,1334 318.95,1335 445.581,1336 14584,1337 2.1,1338 18.803,1339 0.696,1340 0.557,1341 17.933,1342 15.047,1343 13.152,1344 0.438,1345 0.301,1346 8.88,1347 12.529,1348 8.721,1349 7.191,1350 12.758,1351 9.037,1352 11.723,1353 0.279,1354 0.161,1355 11.101,1356 6.747,1357 10.099,1358 0.177,1359 0.088,1360 9.689,1361 5.03,1362 8.367,1363 0.109,1364 0.047,1365 8.216,1366 3.618,1367 7.15,1368 0.07,1369 0.026,1370 6.921,1371 2.658,1372 0.331,1373 83.326,1374 0.222,1375 25.331,1376 0.649,1377 144,1378 476.577,1379 161.388,1380 430.476,1381 584.26,1382 404,1383 171,1384 427.419,1385 187.777,1386 425.746,1387 625.67,1388 400,1389 5.1}
{0 CHEMBL259084,1 1.805,2 12.382,3 6.167,4 38.036,5 123.999,6 9.732,7 0.632,8 4.038,9 4.122,10 3.816,11 3.667,12 5.347,13 3.681,14 4.508,15 4.617,16 4.228,17 4.057,18 5.92,19 4.061,20 4.792,21 4.932,22 4.383,23 4.222,24 6.131,25 4.224,26 4.87,27 5.039,28 4.381,29 4.18,30 6.355,31 4.184,32 4.817,33 4.98,34 4.353,35 4.193,36 6.118,37 4.187,38 4.846,39 5.019,40 4.384,41 4.181,42 6.209,43 4.165,44 4.792,45 4.977,46 4.335,47 4.091,48 6.219,49 4.054,50 4.613,51 4.797,52 4.07,53 3.902,54 6.046,55 3.858,56 0.191,57 0.819,58 4.764,59 3.856,60 24.096,61 3.682,62 0.415,63 1.332,64 8.932,65 6.355,66 53.058,67 6.425,68 0.585,69 1.774,70 17.729,71 8.989,72 73.495,73 8.972,74 1.019,75 2.073,76 21.224,77 9.337,78 133.233,79 9.046,80 0.701,81 1.794,82 18.749,83 9.09,84 97.64,85 9.039,86 0.853,87 1.966,88 20.823,89 9.764,90 104.276,91 9.633,92 0.951,93 1.667,94 27.385,95 10.125,96 113.46,97 10.879,98 0.83,99 1.414,100 22.3,101 8.175,102 96.873,103 9.093,104 27,105 55,106 0.297,107 0.632,108 0.764,109 0.856,110 0.865,111 0.865,112 3.561,113 0.832,114 -5.59,115 -5.46,116 -5.09,119 51,125 1,142 10,143 5,144 4,145 1,146 1,150 1,157 1,158 1,167 1,170 1,172 10,173 1,174 1,175 7,178 3,180 3,183 15,184 2,188 6,193 4,196 11,197 2,199 2,200 12,205 5,208 7,213 10,218 2,219 1,221 7,225 6,228 2,229 1,230 2,233 11,238 2,239 2,243 1,246 14,249 2,250 6,253 2,255 1,258 12,264 3,269 2,272 8,273 2,276 2032,277 22.878,278 22.878,279 22.878,280 22.878,281 22.878,282 19.557,283 25.112,284 13.193,285 23.346,286 18.738,287 18.738,288 18.738,289 18.738,290 18.738,291 13.783,292 35.76,293 6.247,294 19.613,295 3.81,296 1.781,297 0.979,298 0.424,299 0.367,300 0.367,301 4.268,302 1,306 1,307 921,308 3.162,312 329.203,313 77.306,317 253.799,319 1.934,320 55.089,323 0.75,324 0.83,325 1,326 0.4,328 1,329 1,330 0.71,331 75.333,332 421,333 4.647,334 3.576,335 6.978,336 4.274,337 3.296,338 4.341,339 1.437,340 11.854,341 3.224,342 4.372,343 3.498,344 6.595,345 3.967,346 3.002,347 4.046,348 0.795,349 10.436,350 2.892,351 4.174,352 3.203,353 5.962,354 3.788,355 2.797,356 3.769,357 0.4,358 8.375,359 2.77,360 4.032,361 2.936,362 5.929,363 3.589,364 2.637,365 3.635,367 8.223,368 2.503,369 3.754,370 2.779,371 5.516,372 3.394,373 2.433,374 3.106,376 7.402,377 2.334,378 3.574,379 2.6,380 5.204,381 3.075,382 2.159,383 2.925,385 6.067,386 1.982,387 3.423,388 2.592,389 4.985,390 2.96,391 2.012,392 2.74,394 5.881,395 1.894,396 3.329,397 2.342,398 4.968,399 2.925,400 1.988,401 2.585,403 5.772,404 1.765,405 3.232,406 2.23,407 4.841,408 2.787,409 1.879,410 2.481,412 5.104,413 1.678,414 2.81,415 1.817,416 4.262,417 2.347,418 1.355,419 1.948,421 3.529,422 1.341,423 2.76,424 1.379,425 3.904,426 2.245,427 1.247,428 1.762,430 2.955,431 1.224,432 2.605,433 1.288,434 3.779,435 2.058,436 1.104,437 1.633,439 2.874,440 1.046,441 2.578,442 1.166,443 3.724,444 2.028,445 1.084,446 1.567,448 2.665,449 1.011,450 2.5,451 1,452 3.414,453 2,454 1,455 1.5,457 2.275,458 1,459 1.744,460 0.973,461 3.208,462 1.47,463 0.538,464 0.623,466 1.345,467 0.494,468 16.052,469 0.472,470 0.942,471 0.028,472 49.75,473 1.463,474 27.5,475 0.809,476 22.25,477 0.654,478 26.121,479 0.768,480 34.348,481 0.701,482 42.534,483 1.251,484 10.152,485 0.299,486 6.25,487 0.184,488 0.122,490 0.405,494 2,496 0.648,497 0.908,498 0.538,499 0.79,500 0.614,501 0.726,502 0.571,503 0.913,504 0.627,505 0.879,506 0.522,507 0.862,508 0.921,509 1.168,510 0.923,511 1.059,512 0.839,513 0.995,514 0.955,515 0.944,516 0.902,517 0.896,518 0.886,519 0.943,520 0.953,521 1.075,522 0.837,523 0.918,524 0.899,525 0.938,526 1.131,527 1.213,528 1.032,529 0.978,530 1.105,531 1.019,532 0.868,533 0.99,534 1.131,535 1.052,536 0.822,537 1.027,538 0.815,539 0.892,540 1.255,541 1.079,542 0.85,543 1.124,544 7,545 0.273,546 4.222,547 2.813,548 2.367,549 1.295,550 1.246,551 0.642,552 0.359,553 0.233,554 16087,555 58975,556 2.109,557 30.6,559 12,561 1,562 2,567 1.763,568 1.962,569 3.522,570 0.206,577 88.421,578 1.805,579 3.834,580 4.636,581 5.191,582 5.247,583 5.247,584 3.069,585 4.536,586 5.053,587 3.736,588 2095.78,589 8.88,590 30760.9,595 275.121,596 1.449,597 5.014,598 0.184,599 0.01,600 0.077,601 0.045,602 0.039,603 0.022,604 0.022,605 0.013,606 0.009,607 0.008,608 0.43,609 0.17,610 0.63,611 0.706,612 179.981,613 -0.07,614 -0.037,615 -0.005,616 0.044,617 -0.081,618 0.049,619 0.073,620 -0.007,621 0.008,622 -0.023,623 0.078,624 -0.043,625 -0.119,626 -0.196,627 -0.096,628 -0.142,629 -0.069,630 -0.097,631 0.007,632 0.097,633 -0.058,634 0.022,635 0.047,636 -0.028,637 -0.127,638 -0.11,639 -0.015,640 0.004,641 -0.107,642 -0.003,643 -0.105,644 -0.05,645 -0.048,646 -0.002,647 -0.127,648 -0.064,649 0.095,650 -0.002,651 0.114,652 -0.014,653 0.08,654 0.034,655 0.145,656 0.096,657 -0.073,658 -0.063,659 0.048,660 -0.088,661 2.69,662 6.647,663 0.794,664 37.311,665 1.033,666 1.121,667 4.358,668 18.992,669 0.735,670 3.664,671 4.025,672 4.331,673 4.635,674 4.934,675 5.1,676 5.283,677 5.468,678 5.628,679 5.79,680 7.157,681 0.731,682 476.89,683 3.664,684 5.231,685 6.103,686 7.002,687 7.892,688 8.798,689 9.697,690 10.606,691 11.51,692 12.421,693 8.2,701 1,702 1,703 2,709 11,710 2,714 11,716 24,719 1,725 1,728 1,734 3,735 49,737 26,738 3,739 38,741 53,742 25,743 22,744 8,745 10,746 2,748 5,749 8,750 1,762 24,763 1,767 2,772 1,775 1,776 2,781 2,783 15,784 8,785 2,786 9,787 1,792 4,797 0.6,798 2,810 1,816 4,817 1,821 2,841 1,843 3,848 1,849 2,851 34,857 1,858 1,860 1,873 3,874 4.1,876 1,877 1,881 17.333,882 9.062,883 7.306,884 2.788,886 4.626,887 1.539,888 1.023,889 5.724,890 13.208,891 3.97,892 4.625,893 5.239,894 5.854,895 6.456,896 6.788,897 7.244,898 7.716,899 8.176,900 8.639,901 1,902 63,903 12.643,905 5.702,906 8.141,907 23.015,909 19.144,911 2.641,912 89.778,916 153.024,917 154.665,918 68.367,919 39.149,920 67.828,921 29.92,923 154.665,924 260.001,925 98.288,927 2.106,928 94.762,929 116.837,930 87.028,931 31.819,932 141.253,933 39.149,934 153.024,935 223.033,936 97.748,937 39.149,939 182.945,940 67.828,943 50.605,944 138.856,945 72.72,947 182.945,948 136.196,949 193.814,952 153.024,953 50.855,954 103.81,955 18.011,956 187.254,957 153.024,958 166.116,959 193.814,961 0.592,962 0.349,963 0.191,964 0.109,965 28,966 13,967 0.075,968 4,969 2,970 1.148,971 4.306,972 341.506,973 0.148,974 27,975 162.974,981 21.998,982 8.847,983 4.261,985 166.116,986 16.41,987 8.955,991 1.983,993 60.694,994 512.954,995 52,1000 11.063,1003 4.501,1004 -0.88,1007 50.596,1008 54.942,1009 0.321,1010 0.683,1011 0.826,1012 0.925,1013 0.935,1014 0.935,1015 5.22,1016 1.988,1017 6.107,1018 5.881,1019 4.71,1020 5.313,1021 1.904,1022 6.956,1023 4.624,1024 6.458,1025 1.879,1026 7.69,1027 5.772,1028 4.369,1029 5.156,1031 7.932,1032 4.221,1033 7.784,1034 1.355,1035 9.373,1036 5.104,1037 6.34,1038 7.544,1039 2.339,1040 11.06,1041 6.196,1042 9.144,1043 1.247,1044 11.113,1045 3.529,1046 6.792,1047 8.163,1049 12.879,1050 6.607,1051 10.531,1052 1.104,1053 12.893,1054 2.955,1055 8.254,1056 10.038,1057 2.95,1058 15.545,1059 8.066,1060 11.94,1061 1.084,1062 14.7,1063 2.874,1064 9.075,1065 11.036,1067 17.725,1068 8.858,1069 13.366,1070 1,1071 16.527,1072 2.665,1073 10.339,1074 12.684,1075 3.627,1076 20.24,1077 10.111,1078 3.296,1079 0.538,1080 18.372,1081 2.275,1082 11.338,1083 13.884,1085 22.576,1086 11.087,1087 3.002,1088 11.854,1089 20.23,1090 1.345,1091 12.527,1092 15.421,1093 4.332,1094 25.043,1095 12.26,1096 2.797,1097 10.436,1098 22.099,1099 4.341,1100 13.611,1101 16.731,1103 27.446,1104 13.322,1105 2.637,1106 8.375,1107 23.977,1108 4.046,1109 14.776,1110 18.215,1111 5.048,1112 29.901,1113 14.469,1114 2.433,1115 8.223,1116 25.863,1117 3.769,1118 15.902,1119 19.585,1121 32.334,1122 15.574,1123 2.159,1124 7.402,1125 27.756,1126 3.635,1127 17.063,1128 21.046,1129 5.769,1130 34.789,1131 16.715,1132 2.012,1133 6.067,1134 29.654,1135 3.106,1136 18.21,1137 22.449,1139 37.236,1140 17.841,1141 15175,1142 29191,1143 25.372,1144 35.995,1145 58.124,1146 59.491,1147 59.757,1148 57.645,1149 57.351,1150 77.67,1151 5.263,1152 170.248,1153 54.576,1154 5.451,1155 5.576,1156 6.523,1157 5.346,1158 5.296,1159 7.341,1160 2.873,1161 19.521,1162 5.224,1163 17.759,1164 1.53,1165 1.566,1166 1.573,1167 1.517,1168 1.509,1169 2.044,1170 0.139,1171 4.48,1172 1.436,1173 4.08,1174 4.108,1175 4.095,1176 4.006,1177 8.21,1178 4.012,1179 3.928,1180 3.954,1181 3.891,1182 3.852,1183 8.191,1184 3.854,1185 3.866,1186 3.89,1187 3.868,1188 3.789,1189 7.475,1190 3.794,1191 3.703,1192 3.738,1193 3.767,1194 3.593,1195 6.351,1196 3.601,1197 3.376,1198 3.428,1199 3.386,1200 3.174,1201 5.051,1202 3.2,1203 3.263,1204 3.276,1205 3.243,1206 3.052,1207 4.889,1208 3.086,1209 2.988,1210 3.035,1211 3.156,1212 2.825,1213 4.689,1214 2.822,1215 2.937,1216 2.985,1217 2.913,1218 2.796,1219 4.608,1220 2.807,1221 0.122,1222 0.094,1223 0.184,1224 0.112,1225 0.087,1226 4.647,1227 0.114,1228 3.576,1229 0.038,1230 6.978,1231 0.312,1232 4.274,1233 0.085,1234 3.296,1235 4.341,1236 1.437,1237 11.854,1238 3.224,1239 1.969,1240 1.953,1241 2.023,1242 2.054,1243 1.18,1244 2.046,1245 1.91,1246 1.886,1247 2,1248 2.018,1249 1.091,1250 2.011,1251 1.856,1252 1.833,1253 1.937,1254 1.954,1255 1.059,1256 1.951,1257 1.699,1258 1.663,1259 1.8,1260 1.829,1261 0.927,1262 1.828,1263 1.284,1264 1.234,1265 1.423,1266 1.527,1267 0.459,1268 1.498,1269 1.146,1270 1.133,1271 1.253,1272 1.4,1273 0.323,1274 1.348,1275 0.931,1276 0.886,1277 1.181,1278 1.157,1279 0.225,1280 1.152,1281 0.886,1282 0.829,1283 1.148,1284 1.074,1285 0.218,1286 1.107,1287 4.344,1289 5.694,1291 7.238,1292 2.708,1293 8.872,1294 5.38,1295 10.554,1298 6.234,1299 29.294,1302 9.063,1303 0.109,1305 3.045,1314 35.797,1315 88.421,1316 187.848,1317 227.147,1318 254.366,1319 257.121,1320 257.121,1321 77.827,1322 8.582,1323 87.47,1324 87.47,1325 31,1326 12.937,1327 4.755,1328 3.907,1329 49.916,1330 144,1331 172,1332 0.17,1333 218.527,1334 387.63,1335 524.967,1336 68153,1337 6.1,1338 23.819,1339 0.701,1340 0.534,1341 22.579,1342 18.145,1343 16.402,1344 0.432,1345 0.277,1346 10.043,1347 15.476,1348 9.855,1349 8.084,1350 15.869,1351 10.537,1352 15.313,1353 0.278,1354 0.145,1355 14.657,1356 7.963,1357 12.973,1358 0.173,1359 0.074,1360 12.363,1361 5.587,1362 11.14,1363 0.109,1364 0.038,1365 10.478,1366 3.919,1367 9.422,1368 0.068,1369 0.021,1370 9.236,1371 2.837,1372 0.264,1373 106.198,1374 0.199,1375 31.06,1376 0.474,1377 186,1378 697.579,1379 221.325,1380 657.844,1381 870.54,1382 610,1383 223,1384 605.844,1385 251.391,1386 613.703,1387 905.2,1388 578,1389 5.1}
{0 CHEMBL259850,1 1.952,2 10.857,3 1.53,4 2.339,5 76.993,6 9.344,7 0.5,8 3.636,9 3.733,10 3.423,11 3.13,12 4.951,13 3.133,14 4.092,15 4.221,16 3.793,17 3.45,18 5.551,19 3.439,20 4.193,21 4.342,22 3.703,23 3.457,24 5.476,25 3.427,26 4.242,27 4.428,28 3.559,29 3.349,30 5.617,31 3.318,32 4.116,33 4.357,34 3.327,35 3.209,36 5.317,37 3.143,38 3.99,39 4.18,40 3.242,41 3.087,42 5.303,43 3.05,44 3.809,45 3.953,46 3.308,47 3.011,48 5.513,49 2.984,50 3.792,51 4.004,52 3.165,53 3.005,54 5.027,55 2.92,56 0.216,57 0.523,58 4.717,59 2.782,60 9.864,61 2.832,62 0.494,63 0.766,64 11.256,65 4.273,66 52.958,67 4.673,68 0.446,69 0.787,70 14.894,71 5.442,72 41.81,73 5.478,74 0.611,75 0.748,76 14.599,77 4.912,78 65.184,79 5.741,80 0.455,81 0.654,82 15.616,83 4.864,84 39.673,85 6.481,86 0.536,87 0.559,88 14.107,89 4.126,90 56.919,91 4.353,92 0.495,93 0.495,94 8.323,95 3.257,96 78.059,97 3.468,98 0.43,99 0.493,100 13.031,101 3.716,102 44.134,103 4.138,104 21,105 29,106 0.361,107 0.735,108 0.816,109 0.839,110 0.839,111 0.839,112 3.101,113 0.911,114 -2.63,115 -2.65,116 -2.58,119 36.4,124 1,125 1,142 4,143 1,144 1,145 1,153 1,159 1,162 1,166 2,172 4,174 1,175 4,178 3,179 1,180 2,183 4,187 1,188 4,193 2,196 2,199 3,200 3,203 2,205 4,213 2,216 2,218 2,224 1,225 3,228 2,230 2,233 1,237 2,238 2,241 2,246 2,249 1,250 3,253 1,258 2,264 4,276 590,277 13.955,278 13.955,279 13.955,280 13.955,281 13.955,282 12.179,283 21.215,284 8.298,285 14.539,286 10.778,287 10.778,288 10.778,289 10.778,290 10.778,291 8.044,292 29.606,293 3.88,294 11.651,295 3.092,296 1.067,297 0.629,298 0.508,299 0.508,300 0.508,301 3.759,304 1,305 1,306 1,307 469,308 3.464,311 68.02,312 79.331,319 1.687,320 28.091,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 48,332 228,333 4.31,334 3.783,335 6.005,336 3.747,337 2.867,338 4.018,339 2.612,340 8.6,341 2.602,342 4.039,343 3.549,344 5.493,345 3.634,346 2.66,347 3.636,348 1.659,349 7.366,350 2.515,351 3.804,352 2.9,353 5.371,354 3.385,355 2.436,356 3.188,357 0.86,358 6.912,359 2.301,360 3.525,361 2.609,362 5.113,363 3.124,364 2.184,365 2.805,366 0.564,367 6.275,368 2.046,369 3.398,370 2.555,371 4.745,372 2.874,373 1.937,374 2.64,375 0.133,376 5.229,377 1.778,378 2.701,379 1.71,380 3.667,381 2.059,382 1.116,383 1.694,385 2.674,386 1.042,387 2.5,388 1.336,389 3.414,390 2,391 1,392 1.5,394 2.275,395 1,396 2.177,397 1,398 3.253,399 1.68,400 0.753,401 1.002,403 1.635,404 0.688,405 1.935,406 1,407 3.166,408 1.489,409 0.658,410 0.846,412 1.566,413 0.537,414 1.561,415 0.998,416 2.723,417 1.287,418 0.402,419 0.448,421 0.655,422 0.352,423 1,424 0.749,425 2.41,426 0.597,427 -0.326,428 -0.384,430 -0.767,431 -0.296,432 0.997,433 0.393,434 2,435 0.463,436 -0.525,437 -0.682,439 -1.137,440 -0.503,441 0.833,442 0.015,443 1.829,445 -1,446 -1.376,448 -2,449 -1,450 0.5,451 -0.528,452 1.748,454 -1,455 -1.5,457 -2.814,458 -1,459 0.217,460 -0.825,461 1.349,462 -0.139,463 -1.127,464 -1.622,466 -3,467 -1.088,468 9.767,469 0.465,470 0.506,471 0.024,472 29.5,473 1.405,474 15.5,475 0.738,476 14,477 0.667,478 12.696,479 0.605,480 23.233,481 0.704,482 20.125,483 0.958,484 6.076,485 0.289,486 4.003,487 0.191,488 0.154,490 0.297,496 0.626,497 1.256,498 0.675,499 0.916,500 0.536,501 0.869,502 0.694,503 1.012,504 0.778,505 0.958,506 0.467,507 0.871,508 0.937,509 1.297,510 1.094,511 1.344,512 0.812,513 1.191,514 0.892,515 0.972,516 0.849,517 0.992,518 0.973,519 1.139,520 0.541,521 1.041,522 0.692,523 0.918,524 0.526,525 0.939,526 1.194,527 0.788,528 1.161,529 0.895,530 1.258,531 0.937,532 0.798,533 1.038,534 0.88,535 0.898,536 0.74,537 1.053,538 0.755,539 0.689,540 1.153,541 0.84,542 0.725,543 0.754,544 5,545 0.079,546 2,547 0.972,548 1.032,549 0.479,550 0.34,551 0.196,552 0.108,553 0.141,554 4665,555 18966,556 1.968,557 36.4,559 9,561 1,562 2,567 1.623,568 1.826,569 3.416,570 0.519,572 1,574 1,577 64.426,578 1.952,579 3.977,580 4.415,581 4.537,582 4.537,583 4.537,584 2.915,585 3.975,586 4.364,587 3.568,588 749.343,589 7.434,590 8437.77,591 1,592 1,594 1,595 166.465,596 1.461,597 4.311,598 0.227,599 0.007,600 0.069,601 0.037,602 0.047,603 0.025,604 0.02,605 0.012,606 0.007,607 0.011,608 0.463,609 0.33,610 1,611 0.988,612 97.933,613 0.049,614 -0.063,615 0.046,616 0.049,617 -0.031,618 0.004,619 0.151,620 0.083,621 0.141,622 0.066,623 0.191,624 0.059,625 -0.11,626 -0.258,627 -0.095,628 -0.281,629 -0.071,630 -0.21,631 0.033,632 -0.038,633 -0.005,634 -0.139,635 -0.043,636 -0.177,637 0.179,638 -0.16,639 0.251,640 -0.024,641 0.148,642 0.15,643 -0.149,644 0.137,645 -0.132,646 0.069,647 -0.18,648 0.047,649 0.243,650 -0.058,651 0.006,652 0.024,653 0.405,654 -0.135,655 0.087,656 0.297,657 0.063,658 0.278,659 0.027,660 0.315,661 2.557,662 4.638,663 0.524,664 17.728,665 1.04,666 1.134,667 1.401,668 1.964,669 0.683,670 3.135,671 3.401,672 3.555,673 3.689,674 3.784,675 3.738,676 3.638,677 3.555,678 3.526,679 3.555,680 6.349,681 0.674,682 308.35,683 3.135,684 4.635,685 5.434,686 6.267,687 7.084,688 7.918,689 8.741,690 9.575,691 10.401,692 11.235,693 12.1,700 2,703 1,704 1,709 5,710 1,713 1,714 4,716 11,729 1,733 1,735 33,737 14,738 1,739 22,741 34,742 12,743 9,744 2,745 4,748 2,749 2,753 1,762 10,763 2,767 3,769 1,772 3,776 1,779 1,780 1,783 12,784 7,785 2,786 9,787 1,792 4,797 1,798 4,815 1,816 1,843 2,845 1,847 1,851 21,858 1,860 2,861 1,868 1,874 12.1,877 1,879 1,880 2,881 11.5,882 6.15,883 4.778,884 1.643,886 2.052,887 1.329,888 0.937,889 5.33,890 8.287,891 3.45,892 4.003,893 4.432,894 4.894,895 5.229,896 5.295,897 5.211,898 5.189,899 5.232,900 5.418,901 1,902 26,903 7.685,905 3.174,906 8.27,907 13.888,909 10.524,911 2.77,912 58.167,916 117.711,917 105.354,918 58.477,920 86.892,922 31.278,923 74.076,924 204.603,925 58.477,926 16.553,927 38.127,928 37.905,929 53.702,930 29.907,931 4.276,932 137.218,933 50.747,934 117.711,935 132.553,936 86.892,937 31.278,939 117.711,940 36.145,941 50.747,943 48.605,944 61.493,945 22.456,946 31.278,947 117.711,948 145.369,949 105.354,952 117.711,953 47.519,954 63.506,955 36.022,956 103.677,957 117.711,958 145.369,959 105.354,961 0.572,962 0.319,963 0.153,964 0.081,965 12,966 6,967 0.147,968 5,970 1,971 3.427,972 142.693,974 11,975 86.239,977 1,981 15.505,982 7.219,983 4.562,985 139.699,986 8.336,987 3.743,990 0.797,991 1.684,993 36.022,994 368.434,995 30.5,997 -0.557,1000 32.639,1004 -0.477,1007 34.327,1008 37.412,1009 0.387,1010 0.788,1011 0.875,1012 0.899,1013 0.899,1014 0.899,1015 4.642,1016 0.753,1017 5.398,1018 2.275,1019 4.078,1020 4.687,1021 2.946,1022 6.107,1023 3.933,1024 5.838,1025 0.658,1026 6.903,1027 1.635,1028 3.611,1029 4.511,1030 2.558,1031 6.81,1032 3.408,1033 7.129,1034 0.402,1035 8.496,1036 1.566,1037 5.587,1038 6.826,1039 4.322,1040 9.772,1041 5.297,1042 8.452,1043 -0.326,1044 10.139,1045 0.655,1046 5.889,1047 7.434,1048 4.603,1049 11.231,1050 5.511,1051 9.801,1052 -0.525,1053 11.81,1054 -0.767,1055 7.332,1056 9.221,1057 6.013,1058 13.684,1059 6.894,1060 11.166,1061 -1,1062 13.501,1063 -1.137,1064 7.982,1065 10.184,1066 6.597,1067 15.474,1068 7.436,1069 12.544,1070 -1,1071 15.206,1072 -2,1073 9.2,1074 11.757,1075 7.821,1076 17.734,1077 8.602,1078 2.867,1079 -1.127,1080 16.92,1081 -2.814,1082 10.027,1083 12.902,1084 8.565,1085 19.69,1086 9.314,1087 2.66,1088 8.6,1089 18.643,1090 -3,1091 11.142,1092 14.375,1093 9.68,1094 21.871,1095 10.374,1096 2.436,1097 7.366,1098 20.372,1099 4.018,1100 12.063,1101 15.62,1102 10.516,1103 23.913,1104 11.18,1105 2.184,1106 6.912,1107 22.107,1108 3.636,1109 13.13,1110 17.044,1111 11.567,1112 26.064,1113 12.183,1114 1.937,1115 6.275,1116 23.847,1117 3.188,1118 14.102,1119 18.346,1120 12.455,1121 28.153,1122 13.043,1123 1.116,1124 5.229,1125 25.592,1126 2.805,1127 15.148,1128 19.746,1129 13.469,1130 30.293,1131 14.018,1132 1,1133 2.674,1134 27.34,1135 2.64,1136 16.149,1137 21.08,1138 14.387,1139 32.407,1140 14.91,1141 4723,1142 9728,1143 14.216,1144 22.534,1145 32.174,1146 33.575,1147 33.174,1148 31.922,1149 32.024,1150 43.556,1151 11.656,1152 86.373,1153 29.721,1154 5.208,1155 5.783,1156 5.56,1157 4.872,1158 4.867,1159 7.018,1160 4.612,1161 14.506,1162 4.602,1163 11.709,1164 1.462,1165 1.526,1166 1.508,1167 1.451,1168 1.456,1169 1.98,1170 0.53,1171 3.926,1172 1.351,1173 3.958,1174 3.984,1175 4.269,1176 3.864,1177 7.815,1178 3.856,1179 3.907,1180 3.928,1181 3.864,1182 3.821,1183 7.431,1184 3.772,1185 3.559,1186 3.605,1187 3.533,1188 3.237,1189 6.999,1190 3.286,1191 3.349,1192 3.39,1193 3.383,1194 2.992,1195 4.869,1196 3.046,1197 3.219,1198 3.276,1199 3.101,1200 2.843,1201 4.81,1202 2.91,1203 2.959,1204 3.027,1205 2.77,1206 2.735,1207 4.396,1208 2.719,1209 2.854,1210 2.925,1211 2.687,1212 2.689,1213 4.013,1214 2.715,1215 2.52,1216 2.611,1217 2.596,1218 2.308,1219 3.674,1220 2.291,1221 0.196,1222 0.172,1223 0.273,1224 0.17,1225 0.13,1226 4.31,1227 0.183,1228 3.783,1229 0.119,1230 6.005,1231 0.391,1232 3.747,1233 0.118,1234 2.867,1235 4.018,1236 2.612,1237 8.6,1238 2.602,1239 1.905,1240 1.88,1241 2.021,1242 2.01,1243 1.152,1244 2.013,1245 1.532,1246 1.526,1247 1.623,1248 1.913,1249 0.699,1250 1.797,1251 1.455,1252 1.401,1253 1.544,1254 1.758,1255 0.605,1256 1.715,1257 1.253,1258 1.2,1259 1.514,1260 1.534,1261 0.552,1262 1.54,1263 1.115,1264 1.035,1265 1.293,1266 1.395,1267 0.369,1268 1.398,1269 0.886,1270 0.821,1271 1.181,1272 1.179,1273 0.218,1274 1.149,1275 0.841,1276 0.796,1277 0.976,1278 1.062,1280 1.107,1281 0.662,1282 0.667,1283 0.809,1284 0.887,1286 0.904,1287 3.807,1289 5.081,1290 2.398,1291 6.524,1292 4.595,1293 8.036,1294 6.581,1295 9.584,1297 1.577,1303 0.323,1305 5.068,1306 5.034,1314 22.239,1315 64.426,1316 131.246,1317 145.71,1318 149.71,1319 149.71,1320 149.71,1321 42.387,1322 6.234,1323 109.07,1324 137.31,1325 11,1326 11.807,1327 3.907,1328 3.248,1329 39.686,1330 80,1331 78,1332 0.241,1333 144.893,1334 248.83,1335 345.299,1336 3751,1338 15.242,1339 0.726,1340 0.564,1341 15.596,1342 11.846,1343 10.08,1344 0.458,1345 0.304,1346 5.782,1347 8.989,1348 5.595,1349 4.676,1350 10.488,1351 6.679,1352 8.896,1353 0.307,1354 0.17,1355 9.565,1356 4.926,1357 6.872,1358 0.202,1359 0.099,1360 7.713,1361 3.37,1362 5.069,1363 0.13,1364 0.054,1365 5.845,1366 2.102,1367 3.711,1368 0.086,1369 0.028,1370 4.241,1371 1.184,1372 0.39,1373 69.469,1374 0.265,1375 21.472,1376 0.624,1377 102,1378 433.759,1379 146.278,1380 425.976,1381 553.22,1382 392,1383 114,1384 375.698,1385 152.596,1386 387.636,1387 553.82,1388 359,1389 5.1}
{0 CHEMBL259922,1 1.642,2 12.29,3 3.89,4 15.134,5 116.248,6 8.572,7 0.771,8 4.021,9 4.133,10 3.714,11 3.563,12 5.261,13 3.583,14 4.478,15 4.621,16 4.067,17 3.928,18 5.693,19 3.936,20 4.656,21 4.832,22 4.075,23 3.991,24 5.832,25 3.98,26 4.726,27 4.928,28 4.052,29 3.992,30 5.927,31 3.97,32 4.707,33 4.915,34 4.025,35 4.005,36 5.887,37 3.971,38 4.635,39 4.811,40 4.002,41 3.997,42 5.801,43 3.969,44 4.708,45 4.914,46 3.916,47 3.93,48 5.855,49 3.885,50 4.602,51 4.848,52 3.75,53 3.739,54 5.679,55 3.699,56 0.148,57 0.789,58 7.225,59 3.611,60 8.779,61 4.104,62 0.292,63 1.224,64 13.054,65 5.891,66 20.768,67 6.948,68 0.359,69 1.401,70 17.668,71 6.904,72 28.729,73 8.39,74 0.54,75 1.462,76 21.044,77 7.42,78 45.511,79 9.042,80 0.527,81 1.377,82 21.906,83 8.035,84 51.534,85 10.273,86 0.305,87 1.344,88 17.311,89 7.143,90 32.446,91 8.579,92 0.497,93 1.386,94 21.119,95 7.616,96 48.843,97 9.321,98 0.465,99 1.216,100 21.662,101 6.642,102 38.017,103 8.774,104 5,105 49,106 0.271,107 0.625,108 0.778,109 0.869,110 0.878,111 0.878,112 3.472,113 0.816,114 -5.62,115 -5.49,116 -5.12,119 45.8,120 1,142 9,143 3,144 2,145 1,147 2,148 1,151 1,158 1,161 1,166 2,172 9,174 2,175 9,178 3,180 5,183 9,187 1,188 6,191 1,193 5,196 6,199 3,200 10,203 3,205 2,208 6,212 1,213 10,216 1,217 1,218 1,221 7,225 14,230 3,233 3,237 1,238 14,241 2,243 4,246 1,250 6,253 1,255 1,258 5,263 4,264 3,267 3,272 11,276 1621,277 21.43,278 21.43,279 21.43,280 21.43,281 21.43,282 18.103,283 23.925,284 12.722,285 21.771,286 17.308,287 17.308,288 17.308,289 17.308,290 17.308,291 12.387,292 32.402,293 6.061,294 17.873,295 3.943,296 1.798,297 0.876,298 0.323,299 0.266,300 0.266,301 4.182,305 1,306 1,307 849,308 3.082,311 154.379,312 268.929,315 122.698,319 1.886,320 25.51,323 0.75,324 0.83,325 1,326 0.4,328 1,329 1,330 0.71,331 67.5,332 381,333 4.657,334 3.577,335 6.818,336 4.174,337 3.221,338 4.615,339 1.058,340 11.286,341 3.07,342 4.325,343 3.29,344 6.231,345 3.949,346 2.96,347 3.966,348 0.4,349 9.327,350 2.927,351 4.046,352 2.997,353 6.065,354 3.666,355 2.701,356 3.603,358 8.722,359 2.607,360 3.964,361 2.693,362 5.85,363 3.543,364 2.573,365 3.507,367 8.001,368 2.496,369 3.753,370 2.558,371 5.321,372 3.336,373 2.353,374 3.163,376 6.829,377 2.301,378 3.473,379 2.116,380 5.166,381 2.99,382 2.031,383 2.895,385 5.986,386 1.943,387 3.05,388 1.882,389 4.354,390 2.529,391 1.565,392 2.324,394 3.998,395 1.513,396 2.955,397 1.66,398 4.15,399 2.467,400 1.531,401 2.135,403 3.679,404 1.423,405 2.854,406 1.546,407 4.095,408 2.41,409 1.414,410 1.958,412 3.588,413 1.401,414 2.81,415 1.447,416 4.051,417 2.352,418 1.378,419 1.919,421 3.44,422 1.339,423 2.519,424 1.318,425 3.49,426 2.027,427 1.019,428 1.5,430 2.486,431 1.021,432 2.5,433 1,434 3.349,435 2,436 1,437 1.5,439 2.314,440 1,441 2.5,442 1,443 3.341,444 1.962,445 1,446 1.474,448 2.136,449 0.959,450 2.197,451 0.808,452 3.247,453 1.698,454 0.755,455 1.069,457 1.899,458 0.71,459 2.118,460 0.618,461 3,462 1.604,463 0.618,464 0.927,466 1.372,467 0.609,468 14.467,469 0.467,470 0.657,471 0.021,472 47.75,473 1.54,474 26.5,475 0.855,476 21.25,477 0.685,478 20.446,479 0.66,480 31.133,481 0.649,482 36.283,483 1.17,484 9.696,485 0.313,486 5.491,487 0.177,488 0.058,490 0.339,496 0.717,497 1.2,498 0.652,499 0.955,500 0.597,501 0.819,502 0.738,503 1.137,504 0.752,505 1.002,506 0.633,507 0.906,508 0.956,509 1.288,510 0.963,511 1.1,512 0.918,513 1.04,514 1.055,515 0.913,516 1.045,517 0.924,518 1.166,519 0.963,520 0.839,521 0.875,522 0.864,523 0.836,524 1.067,525 0.844,526 0.993,527 1.184,528 1.042,529 1.115,530 1.046,531 1.087,532 1.142,533 1.1,534 1.184,535 1.106,536 1.186,537 1.146,538 1.103,539 0.961,540 1.022,541 0.864,542 0.905,543 0.891,544 5,545 0.136,546 3.556,547 1.882,548 1.583,549 0.875,550 0.572,551 0.467,552 0.288,553 0.219,554 14015,555 41171,556 2.18,557 35.4,558 3,559 9,560 1,561 2,562 2,567 1.737,568 2.09,569 3.588,570 0.257,572 1,577 78.832,578 1.642,579 3.787,580 4.709,581 5.262,582 5.319,583 5.319,584 3.039,585 4.478,586 4.924,587 3.744,588 1740.9,589 8.605,590 24713.6,592 1,594 1,595 268.078,596 1.215,597 4.907,598 0.143,599 0.005,600 0.073,601 0.039,602 0.034,603 0.019,604 0.013,605 0.012,606 0.009,607 0.007,608 0.354,609 0.17,610 0.75,611 0.415,612 161.245,613 0.061,614 -0.083,615 0.058,616 -0.027,617 -0.038,618 0.005,619 0.099,620 -0.052,621 0.045,622 -0.069,623 0.039,624 -0.041,625 -0.072,626 -0.243,627 -0.073,628 -0.162,629 -0.029,630 -0.128,631 -0.044,632 0.119,633 -0.081,634 0.012,635 -0.03,636 -0.032,637 0.083,638 0.091,639 0.127,640 0.161,641 0.084,642 0.162,643 -0.165,644 -0.167,645 -0.158,646 -0.147,647 -0.131,648 -0.147,649 -0.123,650 -0.113,651 -0.194,652 -0.144,653 -0.128,654 -0.179,655 -0.113,656 0.011,657 0.065,658 0.098,660 0.128,661 1.957,662 5.541,663 0.839,664 31.95,665 1.016,666 1.125,667 4.389,668 19.265,669 0.703,670 3.584,671 3.912,672 4.22,673 4.5,674 4.7,675 4.804,676 4.956,677 5.106,678 5.204,679 5.308,680 7.161,681 0.692,682 411.46,683 3.584,684 5.13,685 5.994,686 6.876,687 7.757,688 8.645,689 9.532,690 10.425,691 11.316,692 12.212,693 14.6,700 1,701 2,703 4,708 2,709 12,710 4,712 1,714 6,715 1,716 27,723 1,728 1,735 48,737 28,738 2,739 35,741 52,742 22,743 20,744 4,745 8,746 1,748 5,749 6,754 1,762 21,763 1,767 1,772 1,776 1,780 1,783 17,784 8,785 2,786 9,791 1,792 7,797 0.8,798 2,807 1,810 1,815 2,816 3,819 1,843 4,847 1,851 31,860 2,874 4.2,877 1,879 1,881 14.833,882 9.083,883 6.75,884 2.704,886 5.008,887 1.613,888 1.037,889 5.004,890 13.175,891 3.922,892 4.57,893 5.211,894 5.834,895 6.333,896 6.684,897 7.149,898 7.608,899 7.964,900 8.381,901 1,902 48,903 11.359,905 4.869,906 7.774,907 21.358,909 17.339,911 2.274,912 70.5,915 1,916 176.567,917 149.05,918 107.629,920 34.879,923 149.05,924 211.446,925 107.629,926 8.825,927 18.011,928 97.026,929 124.938,930 61.645,931 16.427,932 141.253,934 176.567,935 256.679,936 34.879,939 176.567,940 34.879,943 66.005,944 120.844,945 69.831,947 176.567,948 142.508,949 149.05,952 176.567,953 25.533,954 125.294,955 36.022,956 104.71,957 176.567,958 142.508,959 149.05,961 0.58,962 0.346,963 0.191,964 0.1,965 25,966 10,967 0.096,968 5,969 1,970 1.077,971 4.313,972 288.99,973 0.077,974 26,975 149.58,981 19.127,982 8.11,983 3.822,984 1.449,985 140.731,986 21.33,987 16.96,989 4.749,991 4.043,992 1.761,993 36.022,994 468.125,995 49.5,1000 12.541,1004 -0.29,1007 48.785,1008 53.983,1009 0.294,1010 0.678,1011 0.843,1012 0.942,1013 0.952,1014 0.952,1015 5.14,1016 1.531,1017 5.969,1018 3.998,1019 4.595,1020 5.257,1021 1.27,1022 6.786,1023 4.532,1024 6.36,1025 1.414,1026 7.527,1027 3.679,1028 4.111,1029 4.997,1031 7.687,1032 4.02,1033 7.67,1034 1.378,1035 9.188,1036 3.588,1037 6.188,1038 7.511,1039 1.27,1040 10.815,1041 6.058,1042 9.021,1043 1.019,1044 10.911,1045 3.44,1046 6.581,1047 8.152,1049 12.581,1050 6.42,1051 10.405,1052 1,1053 12.675,1054 2.486,1055 8.079,1056 10.068,1057 1.34,1058 15.21,1059 7.881,1060 11.814,1061 1,1062 14.467,1063 2.314,1064 8.868,1065 11.142,1067 17.328,1068 8.634,1069 13.243,1070 0.755,1071 16.279,1072 2.136,1073 10.138,1074 12.811,1075 1.423,1076 19.797,1077 9.868,1078 3.221,1079 0.618,1080 18.106,1081 1.899,1082 11.112,1083 14.104,1085 22.071,1086 10.802,1087 2.96,1088 11.286,1089 19.944,1090 1.372,1091 12.294,1092 15.672,1093 1.51,1094 24.491,1095 11.946,1096 2.701,1097 9.327,1098 21.791,1099 4.615,1100 13.356,1101 17.076,1103 26.836,1104 12.964,1105 2.573,1106 8.722,1107 23.646,1108 3.966,1109 14.506,1110 18.605,1111 1.599,1112 29.244,1113 14.074,1114 2.353,1115 8.001,1116 25.508,1117 3.603,1118 15.61,1119 20.065,1121 31.625,1122 15.133,1123 2.031,1124 6.829,1125 27.375,1126 3.507,1127 16.752,1128 21.582,1129 1.69,1130 34.034,1131 16.233,1132 1.565,1133 5.986,1134 29.248,1135 3.163,1136 17.878,1137 23.072,1139 36.433,1140 17.312,1141 12898,1142 22307,1143 24.156,1144 33.756,1145 53.185,1146 53.577,1147 53.349,1148 52.643,1149 52.631,1150 73.609,1151 2.917,1152 151.099,1153 51.015,1154 5.5,1155 5.577,1156 6.62,1157 5.256,1158 5.221,1159 7.615,1160 2.117,1161 18.687,1162 5.07,1163 10.132,1164 1.52,1165 1.531,1166 1.524,1167 1.504,1168 1.504,1169 2.103,1170 0.083,1171 4.317,1172 1.458,1173 4.125,1174 4.174,1175 4.104,1176 3.977,1177 7.429,1178 4,1179 3.956,1180 3.984,1181 3.913,1182 3.868,1183 5.247,1184 3.873,1185 3.834,1186 3.866,1187 3.786,1188 3.728,1189 5.163,1190 3.731,1191 3.797,1192 3.829,1193 3.737,1194 3.601,1195 4.765,1196 3.639,1197 3.366,1198 3.405,1199 3.31,1200 3.17,1201 4.698,1202 3.189,1203 3.269,1204 3.349,1205 3.206,1206 3.006,1207 4.512,1208 3.047,1209 3.043,1210 3.131,1211 2.94,1212 2.829,1213 4.086,1214 2.846,1215 2.972,1216 3.051,1217 2.783,1218 2.735,1219 3.956,1220 2.722,1221 0.133,1222 0.102,1223 0.195,1224 0.119,1225 0.092,1226 4.657,1227 0.132,1228 3.577,1229 0.03,1230 6.818,1231 0.322,1232 4.174,1233 0.088,1234 3.221,1235 4.615,1236 1.058,1237 11.286,1238 3.07,1239 1.95,1240 1.923,1241 2.04,1242 2.073,1243 1.167,1244 2.058,1245 1.907,1246 1.876,1247 2.017,1248 2.015,1249 1.092,1250 2.015,1251 1.757,1252 1.723,1253 1.818,1254 1.896,1255 0.906,1256 1.882,1257 1.499,1258 1.456,1259 1.643,1260 1.698,1261 0.683,1262 1.678,1263 1.278,1264 1.237,1265 1.535,1266 1.55,1267 0.599,1268 1.505,1269 1.258,1270 1.183,1271 1.372,1272 1.544,1273 0.354,1274 1.502,1275 1.073,1276 1.024,1277 1.261,1278 1.407,1279 0.226,1280 1.397,1281 0.96,1282 0.894,1283 1.182,1284 1.212,1285 0.218,1286 1.199,1287 4.263,1289 5.587,1290 3.045,1291 7.104,1292 5.283,1293 8.709,1294 7.298,1295 10.362,1297 1.952,1305 6.005,1314 33.213,1315 78.832,1316 181.774,1317 226.039,1318 252.568,1319 255.323,1320 255.323,1321 42.071,1322 8.167,1323 110.76,1324 110.76,1325 28,1326 12.738,1327 4.858,1328 3.954,1329 43.648,1330 133,1331 126,1332 0.158,1333 202.331,1334 333.12,1335 485.449,1336 45032,1338 21.209,1339 0.684,1340 0.532,1341 21.209,1342 16.481,1343 15.187,1344 0.434,1345 0.272,1346 9.366,1347 14.503,1348 9.178,1349 7.641,1350 15.187,1351 9.524,1352 13.568,1353 0.277,1354 0.14,1355 13.568,1356 6.845,1357 11.9,1358 0.178,1359 0.072,1360 11.9,1361 4.799,1362 10.064,1363 0.113,1364 0.036,1365 10.064,1366 3.193,1367 7.875,1368 0.072,1369 0.019,1370 7.875,1371 2.082,1372 0.25,1373 95.868,1374 0.203,1375 29.194,1376 0.431,1377 168,1378 528.362,1379 187.053,1380 514.023,1381 717.26,1382 482,1383 200,1384 555.705,1385 220.664,1386 557.246,1387 810.74,1388 524,1389 5.1}
{0 CHEMBL260092,1 1.81,2 13.531,3 3.338,4 11.142,5 115.957,6 8.829,7 0.514,8 4.051,9 4.176,10 3.734,11 3.546,12 5.314,13 3.582,14 4.56,15 4.712,16 4.173,17 3.918,18 6.239,19 3.938,20 4.795,21 4.987,22 4.205,23 4.071,24 6.088,25 4.071,26 4.861,27 5.075,28 4.115,29 4.015,30 6.175,31 4.004,32 4.806,33 5.02,34 4.053,35 3.948,36 6.147,37 3.936,38 4.752,39 4.987,40 3.843,41 3.865,42 5.97,43 3.82,44 4.6,45 4.834,46 3.846,47 3.733,48 6.151,49 3.694,50 4.438,51 4.669,52 3.613,53 3.622,54 5.643,55 3.571,56 0.235,57 1.029,58 7.225,59 3.863,60 33.754,61 4.221,62 0.967,63 1.887,64 14.89,65 6.815,66 145.317,67 7.735,68 0.688,69 1.81,70 20.906,71 8.286,72 67.571,73 10.11,74 0.91,75 1.823,76 25.253,77 9.1,78 107.566,79 10.78,80 0.973,81 1.647,82 24.625,83 8.089,84 107.634,85 9.939,86 0.899,87 1.444,88 25.365,89 8.35,90 128.345,91 10.353,92 1.028,93 1.231,94 21.79,95 6.767,96 149.208,97 9.407,98 0.587,99 1.12,100 17.61,101 6.437,102 73.325,103 8.199,104 27,105 50,106 0.302,107 0.658,108 0.776,109 0.856,110 0.871,111 0.878,112 3.502,113 0.82,114 -4.58,115 -4.5,116 -4.24,119 42,121 1,125 1,132 1,142 8,143 2,144 3,147 2,148 1,157 1,159 1,163 1,164 1,165 1,172 8,174 1,175 2,177 1,178 4,179 1,180 5,183 9,187 2,188 2,190 1,191 2,193 4,196 6,200 7,202 1,203 2,204 1,205 7,207 1,208 2,213 7,218 8,223 2,225 6,228 1,230 7,233 4,235 2,238 4,243 2,246 8,248 2,249 1,250 1,253 1,254 1,255 1,258 8,267 2,268 1,271 1,272 4,276 1708,277 21.143,278 21.143,279 21.143,280 21.143,281 21.143,282 18.63,283 29.567,284 12.327,285 21.759,286 17.3,287 17.3,288 17.3,289 17.3,290 17.3,291 13.468,292 44.48,293 5.868,294 18.376,295 3.834,296 1.698,297 0.99,298 0.51,299 0.415,300 0.375,301 4.196,305 1,306 1,307 934,308 3.873,312 318.164,313 101.836,317 169.632,319 2.215,320 52.006,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 73,332 433,333 4.453,334 4.46,335 7.116,336 4.18,337 3.32,338 4.09,339 3.825,340 11.69,341 2.923,342 4.43,343 3.562,344 6.494,345 4.013,346 3.059,347 3.869,348 1.656,349 10.133,350 2.898,351 4.163,352 3.318,353 6.1,354 3.771,355 2.796,356 3.756,357 0.986,358 8.891,359 2.72,360 3.915,361 2.928,362 5.577,363 3.585,364 2.628,365 3.213,366 0.4,367 7.668,368 2.491,369 3.738,370 2.602,371 5.346,372 3.35,373 2.391,374 3.08,375 0.247,376 6.996,377 2.27,378 3.396,379 2.486,380 5.037,381 2.963,382 2.022,383 2.609,385 5.704,386 1.918,387 3.313,388 2.218,389 4.75,390 2.924,391 1.96,392 2.558,394 5.296,395 1.848,396 3.023,397 1.845,398 4.459,399 2.54,400 1.59,401 2.201,403 4.398,404 1.508,405 2.871,406 1.797,407 4.356,408 2.422,409 1.471,410 1.988,412 4.101,413 1.376,414 2.759,415 1.592,416 4.019,417 2.351,418 1.407,419 1.826,421 3.423,422 1.32,423 2.57,424 1.316,425 3.489,426 2.092,427 1.121,428 1.6,430 2.544,431 1.078,432 2.5,433 1.189,434 3.477,435 2.043,436 1.109,437 1.5,439 2.526,440 1.031,441 2.362,442 1,443 3.414,444 2,445 1,446 1.323,448 2.275,449 1,450 1.415,451 0.666,452 2.988,453 1.149,454 0.209,455 0.237,457 0.527,458 0.196,459 1.208,460 0.51,461 2.77,462 0.93,468 14.49,469 0.453,470 0.966,471 0.03,472 45.25,473 1.414,474 23.5,475 0.734,476 21.75,477 0.68,478 23.168,479 0.724,480 34.71,481 0.694,482 37.824,483 1.182,484 9.145,485 0.286,486 6.147,487 0.192,488 0.11,489 0.035,490 0.311,493 3,496 0.685,497 1.062,498 0.653,499 0.963,500 0.636,501 0.825,502 0.405,503 0.817,504 0.682,505 1.002,506 0.375,507 0.974,508 0.695,509 0.929,510 0.853,511 1.036,512 0.582,513 1.011,514 0.994,515 1.038,516 1.079,517 1.123,518 0.922,519 1.126,520 0.94,521 0.844,522 1.056,523 0.986,524 0.947,525 1.041,526 0.988,527 0.85,528 1.125,529 0.98,530 0.989,531 1.069,532 0.436,533 0.637,534 0.812,535 0.842,536 0.399,537 0.936,538 0.727,539 0.819,540 0.978,541 1.015,542 0.736,543 1.077,544 8,545 0.18,546 3.778,547 2.313,548 1.636,549 1.205,550 0.658,551 0.301,552 0.363,553 0.242,554 15734,555 57481,556 2.056,557 36,559 10,561 1,562 5,563 2,567 1.738,568 1.91,569 3.694,570 2.438,572 1,577 90.489,578 1.81,579 3.946,580 4.654,581 5.134,582 5.229,583 5.269,584 3.118,585 4.515,586 4.975,587 3.923,588 1945.95,589 8.663,590 29853.9,592 1,594 1,595 282.193,596 1.574,597 4.918,598 0.229,599 0.007,600 0.076,601 0.044,602 0.036,603 0.028,604 0.019,605 0.009,606 0.013,607 0.009,608 0.468,609 0.17,610 1,611 0.731,612 171.362,613 -0.109,614 -0.095,615 -0.005,616 0.03,617 -0.121,618 0.061,619 0.426,620 0.237,621 0.102,622 -0.003,623 0.414,624 -0.068,625 -0.045,626 -0.103,627 -0.012,628 -0.083,629 0.005,630 -0.049,631 -0.127,632 -0.117,633 -0.13,634 -0.152,635 -0.08,636 -0.14,637 -0.076,638 -0.002,639 -0.097,640 -0.035,641 -0.076,642 -0.061,643 -0.148,644 -0.032,645 -0.116,646 -0.003,647 -0.137,648 -0.029,649 0.339,650 0.13,651 0.19,652 0.117,653 0.356,654 0.103,655 0.002,656 0.001,657 -0.009,658 -0.019,659 -0.045,660 -0.02,661 5.739,662 5.186,663 0.719,664 34.75,665 1.035,666 1.152,667 3.347,668 11.205,669 0.673,670 3.584,671 3.932,672 4.143,673 4.369,674 4.595,675 4.663,676 4.762,677 4.812,678 4.927,679 5.024,680 8.193,681 0.674,682 441.46,683 3.584,684 5.142,685 5.979,686 6.86,687 7.712,688 8.591,689 9.449,690 10.326,691 11.188,692 12.064,693 14,697 1,698 1,700 2,702 1,703 2,709 9,710 2,714 7,716 18,719 1,727 1,728 1,735 50,737 20,738 2,739 35,741 53,742 21,743 16,744 4,745 8,746 1,748 4,749 5,753 1,754 1,757 1,759 1,760 1,762 18,763 3,767 2,772 1,775 1,776 2,780 1,781 3,783 18,784 11,785 5,786 11,792 7,797 0.75,798 1,810 1,816 3,817 1,821 1,843 3,849 3,851 32,852 1,858 2,860 3,865 1,873 3,874 2,877 1,881 16.75,882 8.779,883 6.833,884 2.739,886 3.742,887 1.469,888 1.02,889 6.085,890 11.723,891 3.85,892 4.449,893 4.972,894 5.521,895 6.043,896 6.236,897 6.566,898 6.865,899 7.213,900 7.584,901 0.889,902 53,903 12.254,905 5.741,906 8.273,907 21.431,909 17.374,911 2.773,912 88.75,915 1,916 153.024,917 123.158,918 137.286,920 25.145,921 44.88,923 123.158,924 178.169,925 182.166,927 40.662,928 108.707,929 91.255,930 84.926,931 8.932,932 141.253,933 7.76,934 153.024,935 260.444,936 70.025,939 153.024,940 70.025,943 73.825,944 135.037,945 51.582,947 197.905,948 162.431,949 123.158,952 160.784,953 30.97,954 84.429,955 54.032,956 153.279,957 153.024,958 207.311,959 123.158,961 0.592,962 0.331,963 0.172,964 0.095,965 24,966 11,967 0.057,968 3,969 1,970 1.087,971 4.321,972 285.762,973 0.087,974 23,975 151.245,981 21.753,982 8.951,983 5.246,985 207.311,986 12.691,987 8.107,991 1.797,993 86.929,994 483.494,995 46,1000 12.186,1003 4.596,1004 0.115,1007 51.763,1008 57.623,1009 0.321,1010 0.699,1011 0.825,1012 0.91,1013 0.926,1014 0.934,1015 5.103,1016 1.59,1017 5.999,1018 5.296,1019 4.615,1020 5.136,1021 3.329,1022 6.823,1023 4.5,1024 6.329,1025 1.471,1026 7.575,1027 4.398,1028 4.369,1029 4.966,1030 3.949,1031 7.921,1032 4.111,1033 7.649,1034 1.407,1035 9.26,1036 4.101,1037 6.271,1038 7.3,1039 5.473,1040 10.919,1041 6.022,1042 9.001,1043 1.121,1044 11.011,1045 3.423,1046 6.804,1047 7.867,1048 6.701,1049 12.825,1050 6.393,1051 10.381,1052 1.109,1053 12.805,1054 2.544,1055 8.232,1056 9.724,1057 8.066,1058 15.41,1059 7.812,1060 11.781,1061 1,1062 14.631,1063 2.526,1064 9.112,1065 10.651,1066 9.391,1067 17.631,1068 8.536,1069 13.196,1070 0.209,1071 16.48,1072 2.275,1073 10.364,1074 12.288,1075 10.736,1076 20.097,1077 9.746,1078 3.32,1080 18.347,1081 0.527,1082 11.401,1083 13.41,1084 12.075,1085 22.444,1086 10.64,1087 3.059,1088 11.69,1089 20.229,1091 12.59,1092 14.931,1093 13.417,1094 24.88,1095 11.759,1096 2.796,1097 10.133,1098 22.121,1099 4.09,1100 13.698,1101 16.163,1102 14.758,1103 27.279,1104 12.734,1105 2.628,1106 8.891,1107 24.024,1108 3.869,1109 14.869,1110 17.621,1111 16.1,1112 29.712,1113 13.815,1114 2.391,1115 7.668,1116 25.934,1117 3.756,1118 16.011,1119 18.917,1120 17.441,1121 32.135,1122 14.83,1123 2.022,1124 6.996,1125 27.851,1126 3.213,1127 17.179,1128 20.341,1129 18.783,1130 34.572,1131 15.895,1132 1.96,1133 5.704,1134 29.773,1135 3.08,1136 18.339,1137 21.674,1138 20.124,1139 37.008,1140 16.931,1141 14940,1142 28799,1143 23.057,1144 33.637,1145 53.019,1146 52.787,1147 53.244,1148 52.367,1149 52.166,1150 67.699,1151 14.229,1152 152.341,1153 49.152,1154 5.355,1155 6.46,1156 6.693,1157 5.253,1158 5.32,1159 7.09,1160 5.335,1161 18.668,1162 4.923,1163 17.257,1164 1.515,1165 1.508,1166 1.521,1167 1.496,1168 1.49,1169 1.934,1170 0.407,1171 4.353,1172 1.404,1173 4.013,1174 4.055,1175 3.971,1176 3.912,1177 8.513,1178 3.918,1179 3.932,1180 3.966,1181 3.894,1182 3.845,1183 7.999,1184 3.848,1185 3.839,1186 3.884,1187 3.796,1188 3.689,1189 7.999,1190 3.714,1191 3.525,1192 3.589,1193 3.473,1194 3.334,1195 7.431,1196 3.346,1197 3.43,1198 3.486,1199 3.362,1200 3.149,1201 5.215,1202 3.199,1203 3.275,1204 3.325,1205 3.243,1206 2.987,1207 4.812,1208 3.034,1209 3.106,1210 3.191,1211 3.026,1212 2.864,1213 4.723,1214 2.89,1215 2.92,1216 3.03,1217 2.78,1218 2.735,1219 4.702,1220 2.715,1221 0.127,1222 0.127,1223 0.203,1224 0.119,1225 0.095,1226 4.453,1227 0.117,1228 4.46,1229 0.109,1230 7.116,1231 0.334,1232 4.18,1233 0.084,1234 3.32,1235 4.09,1236 3.825,1237 11.69,1238 2.923,1239 1.932,1240 1.904,1241 2.029,1242 2.041,1243 1.186,1244 2.036,1245 1.899,1246 1.873,1247 1.996,1248 2,1249 1.099,1250 1.997,1251 1.746,1252 1.696,1253 1.825,1254 1.955,1255 1.012,1256 1.924,1257 1.557,1258 1.495,1259 1.759,1260 1.762,1261 0.786,1262 1.766,1263 1.276,1264 1.229,1265 1.401,1266 1.591,1267 0.375,1268 1.536,1269 1.084,1270 1.041,1271 1.229,1272 1.411,1273 0.281,1274 1.332,1275 1.008,1276 0.938,1277 1.204,1278 1.316,1279 0.246,1280 1.29,1281 0.886,1282 0.821,1283 1.181,1284 1.223,1285 0.218,1286 1.211,1287 4.263,1289 5.602,1291 7.119,1292 2.708,1293 8.714,1294 5.198,1295 10.349,1299 38.452,1301 5.911,1303 1.236,1305 8.147,1310 -4.489,1314 33.702,1315 90.489,1316 197.299,1317 232.683,1318 256.683,1319 261.438,1320 263.438,1321 70.091,1322 7.98,1323 117.32,1324 117.32,1325 25,1326 12.605,1327 4.392,1328 3.585,1329 52.291,1330 162,1331 122,1332 0.157,1333 205.586,1334 364.68,1335 493.389,1336 37643,1337 6,1338 22.717,1339 0.71,1340 0.518,1341 20.217,1342 16.571,1343 15.292,1344 0.437,1345 0.273,1346 9.37,1347 14.499,1348 9.278,1349 7.636,1350 14.081,1351 9.57,1352 14.712,1353 0.294,1354 0.139,1355 12.754,1356 6.926,1357 11.333,1358 0.183,1359 0.075,1360 10.37,1361 4.675,1362 9.337,1363 0.12,1364 0.04,1365 8.819,1366 3.144,1367 7.601,1368 0.078,1369 0.021,1370 6.961,1371 2.106,1372 0.256,1373 97.454,1374 0.208,1375 30.439,1376 0.409,1377 170,1378 709.315,1379 201.914,1380 609.416,1381 802.36,1382 564,1383 197,1384 572.425,1385 221.738,1386 560.267,1387 835.18,1388 526,1389 6.4}
{0 CHEMBL260135,1 1.438,2 7.136,3 3.032,4 9.191,5 85.894,6 8.21,7 0.88,8 3.694,9 3.819,10 3.357,11 3.312,12 4.911,13 3.302,14 4.126,15 4.263,16 3.699,17 3.693,18 5.277,19 3.665,20 4.338,21 4.526,22 3.752,23 3.775,24 5.441,25 3.728,26 4.354,27 4.554,28 3.755,29 3.754,30 5.451,31 3.715,32 4.355,33 4.534,34 3.806,35 3.79,36 5.531,37 3.763,38 4.442,39 4.636,40 3.713,41 3.796,42 5.6,43 3.74,44 4.428,45 4.683,46 3.311,47 3.6,48 5.454,49 3.472,50 4.136,51 4.457,52 2.476,53 3.11,54 4.948,55 2.878,56 0.08,57 0.566,58 5.798,59 2.638,60 9.571,61 3.225,62 0.067,63 0.853,64 9.309,65 4.459,66 9.795,67 5.645,68 0.136,69 1.028,70 13.638,71 5.739,72 18.057,73 7.577,74 0.138,75 1.046,76 14.391,77 5.649,78 18.972,79 7.472,80 0.129,81 1.075,82 13.376,83 5.124,84 19.936,85 6.483,86 0.147,87 1.154,88 14.938,89 5.479,90 25.2,91 6.855,92 0.191,93 1.059,94 17.773,95 6.204,96 32.022,97 8.328,98 0.168,99 0.714,100 16.063,101 5.531,102 27.292,103 7.96,104 2,105 35,106 0.256,107 0.517,108 0.615,109 0.712,110 0.781,111 0.812,112 3.149,113 0.835,114 -4.74,115 -4.65,116 -4.37,119 48.6,142 10,143 4,146 1,149 1,153 1,163 1,164 1,165 1,166 1,168 1,172 14,174 1,175 4,179 1,180 2,182 1,183 16,185 1,187 1,188 7,190 1,191 2,193 2,196 14,198 1,200 8,202 1,203 2,205 2,208 11,210 1,213 10,215 1,216 1,218 6,221 12,223 3,225 8,230 8,233 11,235 4,238 4,243 6,246 8,248 3,250 1,255 2,258 4,260 1,272 1,276 648,277 15.397,278 15.397,279 15.397,280 15.397,281 15.397,282 12.818,283 3.162,284 9.251,285 15.56,286 12.376,287 12.376,288 12.376,289 12.376,290 12.376,291 8.636,292 2.5,293 4.399,294 12.625,295 3.691,296 2.227,297 1.678,298 1.129,299 0.743,300 0.571,301 3.851,304 1,305 1,306 1,307 348,308 1.871,311 43.478,312 158.933,315 77.379,319 0.888,320 12.303,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 46.5,332 157,333 4.744,334 3.339,335 7.081,336 4.312,337 3.329,338 4.695,340 12.256,341 3.273,342 4.153,343 2.775,344 6.248,345 3.729,346 2.755,347 3.785,349 9.236,350 2.683,351 3.896,352 2.489,353 5.721,354 3.479,355 2.486,356 3.464,358 7.638,359 2.465,360 3.398,361 1.992,362 4.958,363 2.902,364 1.937,365 2.818,367 5.427,368 1.878,369 3.312,370 1.854,371 4.72,372 2.801,373 1.843,374 2.68,376 4.875,377 1.753,378 2.972,379 1.551,380 4.237,381 2.523,382 1.537,383 2.168,385 3.655,386 1.513,387 2.675,388 1.185,389 3.683,390 2.174,391 1.185,392 1.759,394 2.837,395 1.171,396 2.585,397 1.114,398 3.51,399 2.074,400 1.1,401 1.626,403 2.668,404 1.068,405 2.5,406 1,407 3.356,408 2,409 1,410 1.5,412 2.136,413 1,414 2.5,415 1,416 3.247,417 2,418 1,419 1.5,421 2.136,422 1,423 2.165,424 0.729,425 3.247,426 1.68,427 0.702,428 1.015,430 1.707,431 0.685,432 1.203,433 -0.176,434 2.849,435 0.812,436 -0.178,437 -0.237,439 -0.468,440 -0.176,441 0.868,442 -0.359,443 2.386,444 0.471,445 -0.483,446 -0.61,448 -1.187,449 -0.458,450 0.626,451 -0.783,452 2.146,453 0.171,454 -0.81,455 -1.125,457 -1.823,458 -0.788,459 0.564,460 -0.932,461 2.084,462 0.041,463 -0.932,464 -1.393,466 -2.347,467 -0.907,468 10.5,469 0.477,470 0.415,471 0.019,472 34.25,473 1.557,474 20.5,475 0.932,476 13.75,477 0.625,478 12.732,479 0.579,480 21.3,481 0.609,482 23.154,483 1.052,484 6.966,485 0.317,486 3.877,487 0.176,488 0.038,490 0.333,496 0.793,497 0.798,498 0.714,499 0.734,500 1.039,501 0.718,502 0.629,503 1.065,504 0.779,505 1.014,506 0.706,507 0.937,508 0.684,509 0.997,510 0.821,511 0.983,512 0.765,513 0.934,514 0.886,515 1.047,516 0.807,517 0.923,518 0.786,519 0.868,520 1.212,521 1.132,522 0.936,523 0.946,524 0.93,525 0.911,526 1.493,527 1.235,528 1.28,529 1.167,530 1.31,531 1.188,532 1.361,533 1.066,534 1.36,535 1.18,536 1.413,537 1.251,538 0.995,539 0.805,540 1.214,541 1.051,542 1.176,543 1.141,544 2.5,546 2.222,547 1.597,548 1.177,549 0.837,550 0.344,551 0.161,552 0.062,554 4530,555 11859,556 2.205,557 37.1,559 10,562 3,567 1.656,568 2.129,569 2.805,570 1.024,572 1,574 1,577 50.323,578 1.438,579 2.902,580 3.451,581 4,582 4.386,583 4.558,584 2.127,585 4.096,586 4.432,587 2.917,588 673.922,589 7.673,590 7212.2,591 1,592 1,593 1,594 1,595 179.525,596 1.143,597 4.418,598 0.1,600 0.063,601 0.044,602 0.033,603 0.022,604 0.01,605 0.008,606 0.009,608 0.29,609 0.5,610 1,611 0.405,612 97.435,613 0.117,614 0.283,615 0.033,616 0.152,617 -0.151,618 0.095,619 0.15,620 -0.048,622 -0.089,623 -0.003,624 -0.07,625 0.205,626 -0.012,627 0.079,628 -0.026,629 0.111,630 0.002,631 0.101,632 -0.05,633 0.123,634 0.026,635 0.122,636 0.067,637 -0.127,638 -0.081,639 -0.058,640 -0.045,641 0.061,642 -0.042,643 -0.353,644 -0.189,645 -0.376,646 -0.271,647 -0.229,648 -0.316,649 -0.282,650 -0.112,651 -0.309,652 -0.199,653 -0.27,654 -0.246,655 -0.071,656 0.024,657 0.002,658 0.045,659 -0.101,660 0.036,661 1.166,662 2.076,663 0.955,664 13.636,665 1.001,666 1.119,667 3.51,668 12.321,669 0.716,670 3.258,671 3.584,672 3.932,673 4.277,674 4.543,675 4.615,676 4.787,677 4.898,678 4.883,679 4.787,680 4.516,681 0.692,682 287.35,683 3.258,684 4.796,685 5.673,686 6.572,687 7.475,688 8.386,689 9.299,690 10.216,691 11.133,692 12.052,693 14.3,697 1,701 1,703 3,708 2,709 10,710 3,711 1,714 5,716 22,727 1,735 35,737 22,738 2,739 25,741 38,742 17,743 17,744 2,745 10,748 4,749 5,762 17,779 1,780 1,783 13,784 4,785 3,786 5,792 5,797 0.75,807 1,808 1,815 1,816 3,819 1,843 3,851 22,852 1,881 10.333,882 6.267,883 4.833,884 1.983,886 4.135,887 1.577,888 1.073,889 3.008,890 11.304,891 3.611,892 4.28,893 4.979,894 5.672,895 6.281,896 6.655,897 7.203,898 7.682,899 8.003,900 8.3,901 0.8,902 36,903 8.044,905 3.453,906 7.644,907 15.358,909 12.708,911 2.144,912 47.167,916 117.711,917 113.692,918 99.549,923 113.692,924 117.711,925 99.549,928 127.66,929 49.989,930 35.593,932 117.711,934 117.711,935 213.241,939 119.426,943 21.748,944 139.789,945 49.989,947 117.711,948 99.549,949 113.692,952 117.711,953 18.93,954 94.762,955 16.663,956 82.886,957 117.711,958 99.549,959 113.692,961 0.575,962 0.349,963 0.21,964 0.121,965 19,966 7,967 0.053,968 2,969 1,970 1.095,971 3.385,972 188.182,973 0.095,974 21,975 90.107,981 12.839,982 5.153,983 2.131,984 1.33,985 82.886,986 20.005,987 12.686,988 2.791,991 4.28,993 49.56,994 330.952,995 36,1007 35.043,1008 39.152,1009 0.28,1010 0.566,1011 0.673,1012 0.78,1013 0.855,1014 0.889,1015 4.816,1016 1.1,1017 5.645,1018 2.837,1019 4.263,1020 4.966,1022 6.503,1023 4.223,1024 6.041,1025 1,1026 7.22,1027 2.668,1028 3.761,1029 4.691,1031 7.522,1032 3.692,1033 7.357,1034 1,1035 8.908,1036 2.136,1037 5.872,1038 7.266,1040 10.717,1041 5.796,1042 8.719,1043 0.702,1044 10.667,1045 2.136,1046 6.293,1047 7.929,1049 12.653,1050 6.192,1051 10.12,1052 -0.178,1053 12.474,1054 1.707,1055 7.824,1056 9.892,1058 15.361,1059 7.715,1060 11.55,1061 -0.483,1062 14.314,1063 -0.468,1064 8.672,1065 11.011,1067 17.645,1068 8.541,1069 13.005,1070 -0.81,1071 16.177,1072 -1.187,1073 9.978,1074 12.718,1076 20.205,1077 9.835,1078 3.329,1079 -0.932,1080 18.058,1081 -1.823,1082 11.019,1083 14.062,1085 22.622,1086 10.856,1087 2.755,1088 12.256,1089 19.952,1090 -2.347,1091 12.243,1092 15.663,1094 25.139,1095 12.066,1096 2.486,1097 9.236,1098 21.857,1099 4.695,1100 13.37,1101 17.113,1103 27.608,1104 13.174,1105 1.937,1106 7.638,1107 23.77,1108 3.785,1109 14.568,1110 18.673,1112 30.113,1113 14.357,1114 1.843,1115 5.427,1116 25.69,1117 3.464,1118 15.732,1119 20.173,1121 32.603,1122 15.504,1123 1.537,1124 4.875,1125 27.615,1126 2.818,1127 16.924,1128 21.719,1130 35.106,1131 16.681,1132 1.185,1133 3.655,1134 29.544,1135 2.68,1136 18.106,1137 23.242,1139 37.605,1140 17.845,1141 4278,1142 7049,1143 17.394,1144 25.074,1145 38.119,1146 37.703,1147 38.513,1148 37.785,1149 37.747,1150 54.02,1152 109.141,1153 36.977,1154 5.429,1155 5.339,1156 6.883,1157 5.354,1158 5.329,1159 7.695,1161 19.732,1162 5.273,1163 5.51,1164 1.525,1165 1.508,1166 1.541,1167 1.511,1168 1.51,1169 2.161,1171 4.366,1172 1.479,1173 4.127,1174 4.168,1175 4.108,1176 4.026,1177 5.295,1178 4.038,1179 3.853,1180 3.89,1181 3.788,1182 3.794,1183 4.935,1184 3.787,1185 3.824,1186 3.864,1187 3.757,1188 3.704,1189 4.735,1190 3.717,1191 3.302,1192 3.381,1193 3.246,1194 3.099,1195 4.716,1196 3.124,1197 2.94,1198 3.036,1199 2.867,1200 2.736,1201 4.431,1202 2.745,1203 2.854,1204 2.925,1205 2.688,1206 2.735,1207 3.84,1208 2.715,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.674,1214 2.715,1215 2.812,1216 2.88,1217 2.687,1218 2.624,1219 3.674,1220 2.651,1221 0.19,1222 0.134,1223 0.283,1224 0.172,1225 0.133,1226 4.744,1227 0.188,1228 3.339,1230 7.081,1231 0.49,1232 4.312,1233 0.131,1234 3.329,1235 4.695,1237 12.256,1238 3.273,1239 2.007,1240 1.986,1241 2.082,1242 2.085,1243 1.214,1244 2.083,1245 1.859,1246 1.83,1247 1.987,1248 1.936,1249 1.047,1250 1.955,1251 1.658,1252 1.625,1253 1.734,1254 1.791,1255 0.836,1256 1.78,1257 1.337,1258 1.235,1259 1.472,1260 1.734,1261 0.312,1262 1.668,1263 0.997,1264 0.955,1265 1.181,1266 1.196,1267 0.218,1268 1.186,1269 0.886,1270 0.821,1271 1.181,1272 1.062,1273 0.218,1274 1.107,1275 0.886,1276 0.821,1277 1.146,1278 1.062,1279 0.176,1280 1.107,1281 0.828,1282 0.775,1283 1.066,1284 0.99,1285 0.139,1286 1.017,1287 3.932,1289 5.252,1290 2.398,1291 6.792,1292 4.727,1293 8.434,1294 6.823,1295 10.132,1301 6.076,1314 24.214,1315 50.323,1316 101.577,1317 120.796,1318 140.015,1319 153.525,1320 159.525,1321 24.429,1322 7.169,1323 80.48,1324 80.48,1325 23,1326 12.562,1327 4.524,1328 3.585,1329 29.476,1330 56,1331 62,1332 0.252,1333 148.964,1334 238.22,1335 355.233,1336 11180,1338 14.941,1339 0.679,1340 0.531,1341 14.941,1342 11.692,1343 10.843,1344 0.434,1345 0.278,1346 6.886,1347 10.55,1348 6.757,1349 5.625,1350 10.843,1351 6.954,1352 9.507,1353 0.272,1354 0.143,1355 9.507,1356 4.992,1357 8.453,1358 0.169,1359 0.072,1360 8.453,1361 3.616,1362 7.537,1363 0.106,1364 0.037,1365 7.537,1366 2.614,1367 6.405,1368 0.069,1369 0.019,1370 6.405,1371 1.787,1372 0.37,1373 67.165,1374 0.24,1375 20.896,1376 0.783,1377 120,1378 316.58,1379 128.021,1380 321.585,1381 458.69,1382 302,1383 145,1384 361.758,1385 154.242,1386 369.374,1387 540.83,1388 349,1389 5.1}
{0 CHEMBL261849,1 1.588,2 12.778,3 3.127,4 9.779,5 106.122,6 7.479,7 0.621,8 3.994,9 4.11,10 3.552,11 3.474,12 5.177,13 3.477,14 4.473,15 4.635,16 3.859,17 3.811,18 5.61,19 3.797,20 4.61,21 4.764,22 3.924,23 3.939,24 5.724,25 3.903,26 4.754,27 4.963,28 3.786,29 3.943,30 5.791,31 3.858,32 4.764,33 5.007,34 3.693,35 3.901,36 5.695,37 3.8,38 4.633,39 4.857,40 3.695,41 3.83,42 5.638,43 3.746,44 4.618,45 4.854,46 3.676,47 3.765,48 5.626,49 3.681,50 4.53,51 4.751,52 3.531,53 3.647,54 5.563,55 3.56,56 0.069,57 0.705,58 10.086,59 4.218,60 12.468,61 5.389,62 0.345,63 1.035,64 18.562,65 7.05,66 31.217,67 8.841,68 0.307,69 1.2,70 20.517,71 7.862,72 27.304,73 10.287,74 0.384,75 1.288,76 25.704,77 9.14,78 45.5,79 12.349,80 0.426,81 1.239,82 27.512,83 9.309,84 43.763,85 12.999,86 0.384,87 1.141,88 23.149,89 8.032,90 36.626,91 11.286,92 0.387,93 1.072,94 23.357,95 8.165,96 37.643,97 11.531,98 0.442,99 0.961,100 21.488,101 7.238,102 39.423,103 9.947,104 21,105 39,106 0.269,107 0.587,108 0.734,109 0.816,110 0.842,111 0.862,112 3.339,113 0.867,114 -3.7,115 -3.67,116 -3.49,119 40.8,121 1,124 2,125 1,142 7,143 3,144 3,145 1,147 1,150 1,163 2,164 2,165 2,172 9,174 1,175 7,177 3,178 3,180 1,183 9,185 1,187 1,188 10,193 1,196 6,198 1,200 8,202 1,203 1,204 1,205 2,207 2,208 2,210 2,211 1,213 7,218 3,221 4,223 3,224 1,225 5,230 2,233 7,235 2,237 2,238 2,240 1,241 1,243 2,246 7,248 2,249 2,250 1,252 1,253 1,255 1,258 5,260 1,263 1,264 2,266 1,267 1,272 4,276 1177,277 18.342,278 18.342,279 18.342,280 18.342,281 18.342,282 16.066,283 26.546,284 10.789,285 18.986,286 14.17,287 14.17,288 14.17,289 14.17,290 14.17,291 10.706,292 34.768,293 4.976,294 15.025,295 4.027,296 2.146,297 1.279,298 0.796,299 0.643,300 0.521,301 4.022,304 1,305 1,306 1,307 729,308 3,312 299.479,319 2.173,320 22.907,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 59,332 345,333 4.308,334 3.258,335 6.188,336 3.914,337 2.951,338 3.955,339 1.151,340 9.236,341 2.848,342 4.199,343 3.074,344 6.074,345 3.771,346 2.825,347 3.841,348 0.86,349 8.785,350 2.669,351 4.031,352 2.904,353 5.48,354 3.614,355 2.641,356 3.633,357 0.86,358 7.336,359 2.572,360 3.6,361 2.65,362 5.25,363 3.235,364 2.288,365 2.928,366 0.68,367 6.652,368 2.16,369 3.472,370 2.507,371 5.104,372 3.116,373 2.17,374 2.76,376 6.253,377 2.042,378 3.357,379 2.168,380 4.915,381 2.935,382 1.993,383 2.655,385 5.633,386 1.866,387 2.919,388 2.109,389 4.388,390 2.519,391 1.604,392 2.058,394 4.222,395 1.46,396 2.823,397 1.567,398 4.125,399 2.351,400 1.417,401 1.952,403 3.648,404 1.319,405 2.5,406 1.311,407 3.414,408 2,409 1,410 1.5,412 2.275,413 1,414 2.083,415 1.014,416 3.319,417 1.783,418 0.876,419 1.022,421 1.972,422 0.785,423 1.737,424 1,425 3.057,426 1.45,427 0.562,428 0.639,430 1.036,431 0.493,432 1.61,433 0.936,434 2.871,435 1.318,436 0.415,437 0.473,439 0.799,440 0.369,441 1.509,442 0.656,443 2.654,444 1.224,445 0.336,446 0.388,448 0.568,449 0.299,450 1.098,451 0.255,452 2.39,453 0.773,454 -0.16,455 -0.19,457 -0.33,458 -0.147,459 0.802,460 -0.133,461 2.358,462 0.433,463 -0.506,464 -0.615,466 -1.081,467 -0.464,468 12.6,469 0.467,470 0.588,471 0.022,472 38,473 1.407,474 20.5,475 0.759,476 17.5,477 0.648,478 18.751,479 0.694,480 29.4,481 0.6,482 28.244,483 1.046,484 7.932,485 0.294,486 5.152,487 0.191,488 0.143,490 0.317,496 0.994,497 1.249,498 0.814,499 1.105,500 1.167,501 0.943,502 1.252,503 0.802,504 0.86,505 0.848,506 0.833,507 0.809,508 1.065,509 1.268,510 1.058,511 1.233,512 0.911,513 1.158,514 1.114,515 1.057,516 1.162,517 1.178,518 1.069,519 1.182,520 1.095,521 0.914,522 1.002,523 0.926,524 1.012,525 0.951,526 0.873,527 1.021,528 0.978,529 1.024,530 0.923,531 1.017,532 0.761,533 0.957,534 0.824,535 1.001,536 0.638,537 0.944,538 1.102,539 1.002,540 1.04,541 1.047,542 0.96,543 1.052,544 6,545 0.144,546 2.889,547 1.25,548 1.529,549 0.764,550 0.505,551 0.438,552 0.271,553 0.172,554 9435,555 26932,556 2.035,557 44.9,558 2,559 15,561 1,562 4,567 1.697,568 1.906,569 3.607,570 1.698,571 1,572 1,577 77.82,578 1.588,579 3.469,580 4.336,581 4.818,582 4.972,583 5.094,584 3.115,585 4.403,586 4.722,587 3.779,588 1326.57,589 8.178,590 17729,592 1,594 1,595 275.121,596 1.399,597 4.685,598 0.207,599 0.008,600 0.074,601 0.031,602 0.046,603 0.025,604 0.016,605 0.015,606 0.011,607 0.009,608 0.442,609 0.17,610 1,611 0.862,612 136.523,613 -0.098,614 -0.053,615 0.034,616 -0.038,617 -0.21,618 0.022,619 -0.056,620 0.259,621 0.084,622 0.18,623 0.093,624 0.151,625 -0.036,626 -0.181,627 -0.151,628 -0.197,629 -0.046,630 -0.192,631 -0.115,632 -0.055,633 -0.205,634 -0.181,635 -0.108,636 -0.206,637 -0.127,638 0.011,639 -0.011,640 0.069,641 -0.108,642 0.052,643 0.02,644 -0.035,645 -0.018,646 -0.026,647 -0.025,648 -0.024,649 0.162,650 -0.024,651 0.159,652 0.001,653 0.221,654 0.064,655 0.044,656 -0.072,657 -0.038,658 -0.059,659 0.031,660 -0.072,661 1.504,662 2.401,663 0.667,664 28.571,665 1.007,666 1.13,667 2.474,668 6.123,669 0.658,670 3.401,671 3.689,672 3.912,673 4.094,674 4.317,675 4.29,676 4.331,677 4.431,678 4.543,679 4.595,680 7.249,681 0.632,682 366.46,683 3.401,684 4.92,685 5.746,686 6.597,687 7.438,688 8.29,689 9.136,690 9.989,691 10.838,692 11.692,693 8.2,697 2,703 2,709 8,710 2,714 8,716 18,727 2,733 3,735 49,737 18,738 2,739 29,741 51,742 20,743 16,744 5,745 7,748 3,749 3,760 1,762 16,763 4,779 1,780 1,783 22,784 7,785 4,786 7,792 4,797 1,798 3,810 1,816 3,843 3,847 2,851 27,852 2,858 2,861 3,874 6.1,879 3,881 14.167,882 9.233,883 6.139,884 2.508,886 3.125,887 1.437,888 0.969,889 6.242,890 10.275,891 3.664,892 4.256,893 4.785,894 5.284,895 5.818,896 5.858,897 6.062,898 6.445,899 6.857,900 7.187,901 0.889,902 40,903 9.878,905 4.013,906 7.753,907 18.659,909 14.486,911 2.253,912 60.833,915 1,916 211.88,917 133.788,918 99.365,920 33,923 133.788,924 244.879,925 99.365,926 21.766,927 7.127,928 132.128,929 45.342,930 67.334,931 4.227,932 200.109,934 211.88,935 233.154,936 33,939 211.88,940 33,943 18.073,944 181.509,945 33.571,947 211.88,948 132.365,949 133.788,952 211.88,953 36.641,954 97.147,956 132.365,957 211.88,958 132.365,959 133.788,961 0.572,962 0.336,963 0.171,964 0.094,965 17,966 8,967 0.137,968 7,970 1,971 3.953,972 215.802,974 18,975 124.382,981 19.109,982 8.819,983 4.949,985 132.365,986 15.119,987 7.978,991 5.508,993 65.794,994 478.033,995 38,1007 49.342,1008 55.358,1009 0.283,1010 0.618,1011 0.772,1012 0.858,1013 0.885,1014 0.907,1015 4.871,1016 1.417,1017 5.714,1018 4.222,1019 4.369,1020 4.942,1021 2.019,1022 6.463,1023 4.265,1024 6.07,1025 1,1026 7.239,1027 3.648,1028 3.892,1029 4.691,1031 7.235,1032 3.753,1033 7.365,1034 0.876,1035 8.856,1036 2.275,1037 5.916,1038 7.113,1039 1.963,1040 10.249,1041 5.73,1042 8.692,1043 0.562,1044 10.524,1045 1.972,1046 6.217,1047 7.614,1049 11.791,1050 5.986,1051 10.045,1052 0.415,1053 12.224,1054 1.036,1055 7.7,1056 9.521,1057 2.01,1058 14.312,1059 7.44,1060 11.415,1061 0.336,1062 13.945,1063 0.799,1064 8.369,1065 10.384,1067 16.195,1068 8.06,1069 12.799,1070 -0.16,1071 15.682,1072 0.568,1073 9.62,1074 12.053,1075 2.133,1076 18.531,1077 9.285,1078 2.951,1079 -0.506,1080 17.431,1081 -0.33,1082 10.478,1083 13.116,1085 20.577,1086 10.092,1087 2.825,1088 9.236,1089 19.19,1090 -1.081,1091 11.621,1092 14.656,1093 2.31,1094 22.836,1095 11.209,1096 2.641,1097 8.785,1098 20.957,1099 3.955,1100 12.576,1101 15.836,1103 24.962,1104 12.115,1105 2.288,1106 7.336,1107 22.73,1108 3.841,1109 13.67,1110 17.301,1111 2.523,1112 27.189,1113 13.18,1114 2.17,1115 6.652,1116 24.509,1117 3.633,1118 14.676,1119 18.55,1121 29.356,1122 14.14,1123 1.993,1124 6.253,1125 26.293,1126 2.928,1127 15.75,1128 19.971,1129 2.759,1130 31.57,1131 15.181,1132 1.604,1133 5.633,1134 28.081,1135 2.76,1136 16.782,1137 21.264,1139 33.756,1140 16.17,1141 9211,1142 15682,1143 19.186,1144 32.239,1145 42.226,1146 43.138,1147 43.819,1148 42.075,1149 42.158,1150 55.606,1151 7.102,1152 116.829,1153 39.765,1154 5.146,1155 5.258,1156 5.743,1157 4.983,1158 4.951,1159 6.955,1160 2.302,1161 15.607,1162 4.848,1163 13.949,1164 1.456,1165 1.488,1166 1.511,1167 1.451,1168 1.454,1169 1.917,1170 0.245,1171 4.029,1172 1.371,1173 3.998,1174 4.025,1175 3.948,1176 3.908,1177 5.291,1178 3.913,1179 3.901,1180 3.929,1181 3.844,1182 3.827,1183 4.98,1184 3.826,1185 3.8,1186 3.839,1187 3.762,1188 3.644,1189 4.938,1190 3.669,1191 3.344,1192 3.387,1193 3.23,1194 3.114,1195 4.84,1196 3.136,1197 3.281,1198 3.344,1199 3.129,1200 3.021,1201 4.487,1202 3.037,1203 3.176,1204 3.258,1205 3.007,1206 2.925,1207 4.459,1208 2.931,1209 3.073,1210 3.168,1211 2.9,1212 2.813,1213 4.347,1214 2.81,1215 2.966,1216 3.078,1217 2.787,1218 2.735,1219 4.186,1220 2.715,1221 0.149,1222 0.112,1223 0.213,1224 0.135,1225 0.102,1226 4.308,1227 0.136,1228 3.258,1229 0.04,1230 6.188,1231 0.318,1232 3.914,1233 0.098,1234 2.951,1235 3.955,1236 1.151,1237 9.236,1238 2.848,1239 1.94,1240 1.92,1241 2.039,1242 2.053,1243 1.209,1244 2.047,1245 1.889,1246 1.866,1247 2,1248 1.993,1249 1.132,1250 1.994,1251 1.725,1252 1.685,1253 1.81,1254 1.906,1255 0.866,1256 1.883,1257 1.27,1258 1.224,1259 1.586,1260 1.558,1261 0.629,1262 1.563,1263 1.216,1264 1.148,1265 1.573,1266 1.528,1267 0.573,1268 1.542,1269 1.132,1270 1.056,1271 1.418,1272 1.421,1273 0.528,1274 1.425,1275 1.034,1276 0.948,1277 1.337,1278 1.343,1279 0.374,1280 1.345,1281 0.892,1282 0.821,1283 1.225,1284 1.243,1285 0.218,1286 1.26,1287 4.078,1289 5.371,1291 6.86,1293 8.434,1295 10.048,1297 3.252,1301 11.445,1303 1,1306 16.531,1314 30.971,1315 77.82,1316 169.985,1317 212.45,1318 236.101,1319 243.611,1320 249.611,1321 40.872,1322 7.149,1323 105.51,1324 105.51,1325 18,1326 12.248,1327 4.248,1328 3.322,1329 47.231,1330 117,1331 127,1332 0.196,1333 193.256,1334 331.39,1335 463.306,1336 12254,1338 19.225,1339 0.712,1340 0.567,1341 19.225,1342 15.307,1343 13.084,1344 0.451,1345 0.289,1346 8.215,1347 12.442,1348 7.954,1349 6.669,1350 13.084,1351 8.383,1352 11.371,1353 0.292,1354 0.152,1355 11.371,1356 5.937,1357 9.507,1358 0.194,1359 0.084,1360 9.507,1361 4.093,1362 7.403,1363 0.125,1364 0.044,1365 7.403,1366 2.614,1367 5.978,1368 0.081,1369 0.024,1370 5.978,1371 1.782,1372 0.314,1373 83.083,1374 0.228,1375 26.462,1376 0.516,1377 136,1378 431.121,1379 151.35,1380 410.493,1381 559.5,1382 386,1383 156,1384 407.517,1385 171.074,1386 416.214,1387 597.93,1388 386,1389 5}
{0 CHEMBL262433,1 1.826,2 11.929,3 3.447,4 11.88,5 108.389,6 9.174,7 0.71,8 3.901,9 4.013,10 3.681,11 3.492,12 5.169,13 3.488,14 4.349,15 4.487,16 4.054,17 3.866,18 5.652,19 3.844,20 4.551,21 4.712,22 4.085,23 3.948,24 5.848,25 3.913,26 4.627,27 4.828,28 4.069,29 3.899,30 5.901,31 3.846,32 4.544,33 4.744,34 3.886,35 3.775,36 5.941,37 3.716,38 4.389,39 4.588,40 3.671,41 3.621,42 5.688,43 3.578,44 4.271,45 4.478,46 3.53,47 3.521,48 5.483,49 3.471,50 4.195,51 4.41,52 3.497,53 3.476,54 5.435,55 3.397,56 0.127,57 0.778,58 6.305,59 3.321,60 11.597,61 3.463,62 0.301,63 1.19,64 11.376,65 5.786,66 25.019,67 6.549,68 0.409,69 1.43,70 14.846,71 7.053,72 39.608,73 7.481,74 0.485,75 1.471,76 21.934,77 8.321,78 54.652,79 9.274,80 0.629,81 1.272,82 23.08,83 7.731,84 78.206,85 7.929,86 0.489,87 1.118,88 17.928,89 6.413,90 63.693,91 6.388,92 0.363,93 0.953,94 13.896,95 5.178,96 43.686,97 5.853,98 0.35,99 0.927,100 14.69,101 6.087,102 37.589,103 7.298,104 17,105 44,106 0.312,107 0.679,108 0.79,109 0.86,110 0.868,111 0.868,112 3.374,113 0.88,114 -3.85,115 -3.81,116 -3.62,119 44.2,120 1,142 7,143 3,144 3,146 1,147 1,148 1,159 1,161 1,163 1,164 1,165 1,172 8,174 1,175 4,177 1,178 3,179 1,180 4,183 9,185 1,187 1,188 2,193 4,196 6,199 1,200 7,202 2,203 2,205 7,208 2,210 1,213 8,218 6,223 2,225 7,228 1,230 6,233 2,235 2,246 6,249 1,250 1,253 3,254 1,255 1,257 1,258 9,272 6,276 1154,277 18.809,278 18.809,279 18.809,280 18.809,281 18.809,282 15.963,283 17.267,284 10.95,285 19.259,286 15.292,287 15.292,288 15.292,289 15.292,290 15.292,291 11.074,292 22.095,293 5.202,294 16.021,295 3.601,296 1.451,297 0.8,298 0.39,299 0.343,300 0.343,301 4.07,305 1,306 1,307 730,308 3.082,311 65.675,312 273.214,315 123.493,319 1.944,320 33.268,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 61.5,332 334,333 4.666,334 3.575,335 6.884,336 4.191,337 3.229,338 4.626,339 1.656,340 11.489,341 3.107,342 4.252,343 3.244,344 6.094,345 3.85,346 2.89,347 3.891,348 0.247,349 8.874,350 2.769,351 4.058,352 3.12,353 5.856,354 3.634,355 2.663,356 3.671,358 8.061,359 2.58,360 3.737,361 2.654,362 5.448,363 3.369,364 2.402,365 3.078,367 7.218,368 2.314,369 3.485,370 2.42,371 5.034,372 3.102,373 2.122,374 2.814,376 5.765,377 2.071,378 3.421,379 2.325,380 4.934,381 2.937,382 2,383 2.792,385 5.677,386 1.891,387 3.351,388 2.058,389 4.801,390 2.87,391 1.944,392 2.598,394 5.322,395 1.749,396 2.988,397 1.801,398 4.416,399 2.457,400 1.517,401 2.209,403 4.079,404 1.42,405 2.808,406 1.539,407 4.109,408 2.348,409 1.372,410 1.918,412 3.598,413 1.329,414 2.553,415 1.088,416 3.81,417 2.009,418 1.064,419 1.577,421 2.685,422 1.002,423 2.5,424 1,425 3.414,426 2,427 1,428 1.5,430 2.275,431 1,432 2.187,433 0.81,434 3.314,435 1.673,436 0.744,437 1.053,439 1.81,440 0.681,441 1.535,442 0.777,443 3.009,444 1.206,445 0.286,446 0.34,448 0.669,449 0.258,450 1.307,451 0.578,452 2.578,453 0.947,454 -0.012,455 -0.014,457 -0.029,458 -0.011,459 1.042,460 0.213,461 2.371,462 0.65,463 -0.31,464 -0.389,466 -0.731,467 -0.283,468 13.352,469 0.477,470 0.75,471 0.027,472 41.5,473 1.482,474 23,475 0.821,476 18.5,477 0.661,478 19.325,479 0.69,480 28.648,481 0.666,482 30.499,483 1.089,484 8.236,485 0.294,486 5.272,487 0.188,488 0.114,490 0.374,494 1,496 0.735,497 1.059,498 0.661,499 0.847,500 0.648,501 0.752,502 0.524,503 0.95,504 0.645,505 0.872,506 0.536,507 0.838,508 1.005,509 1.094,510 0.873,511 0.964,512 0.984,513 1.031,514 1.036,515 1.121,516 0.965,517 1.086,518 1.03,519 1.03,520 1.099,521 0.923,522 1.286,523 1.094,524 1.001,525 1.019,526 1.571,527 1.019,528 1.214,529 0.964,530 1.631,531 1.014,532 1.164,533 0.919,534 0.908,535 0.849,536 1.178,537 1.012,538 0.788,539 0.884,540 0.864,541 0.979,542 0.92,543 1.028,544 6,545 0.107,546 3.333,547 2.125,548 1.819,549 0.722,550 0.488,551 0.367,552 0.205,553 0.223,554 10888,555 35709,556 2.094,557 34.9,558 3,559 7,561 1,562 4,567 1.704,568 1.953,569 3.518,570 1.733,572 1,577 78.506,578 1.826,579 3.975,580 4.626,581 5.037,582 5.083,583 5.083,584 2.918,585 4.423,586 4.782,587 3.729,588 1409.54,589 8.28,590 19268.3,592 1,594 1,595 233.329,596 1.432,597 4.736,598 0.194,599 0.006,600 0.076,601 0.048,602 0.045,603 0.021,604 0.017,605 0.015,606 0.009,607 0.011,608 0.441,609 0.33,610 1,611 0.573,612 142.683,613 -0.106,614 -0.069,615 0.04,616 0.033,617 -0.116,618 0.066,619 0.179,620 0.017,621 0.126,622 0.035,623 0.083,624 0.043,625 -0.079,626 -0.088,627 -0.068,628 -0.069,629 -0.083,630 -0.137,631 -0.035,632 -0.128,633 0.059,634 -0.086,635 -0.035,636 -0.041,637 -0.013,638 0.001,639 -0.156,640 -0.046,641 0.133,642 -0.035,643 -0.313,644 0.028,645 -0.24,646 -0.004,647 -0.263,648 -0.06,649 -0.214,650 -0.056,651 -0.091,652 0.006,653 -0.19,654 -0.045,655 0.19,656 0.092,657 0.091,658 0.008,659 0.08,660 0.035,661 2.2,662 5.77,663 0.75,664 27.214,665 1.022,666 1.129,667 2.621,668 6.869,669 0.718,670 3.466,671 3.807,672 4.078,673 4.357,674 4.554,675 4.554,676 4.635,677 4.787,678 4.796,679 4.868,680 7.231,681 0.699,682 394.47,683 3.466,684 5.017,685 5.872,686 6.758,687 7.629,688 8.517,689 9.395,690 10.284,691 11.166,692 12.057,693 14,697 1,700 2,703 3,708 2,709 8,710 3,713 1,714 7,716 22,727 1,734 1,735 43,737 23,738 2,739 31,741 46,742 19,743 17,744 5,745 7,748 4,749 5,753 1,754 1,762 18,763 1,767 1,772 1,776 1,780 1,781 1,783 15,784 8,785 4,786 9,787 1,790 1,792 6,797 0.75,798 1,810 1,815 1,816 3,819 1,843 3,845 1,847 1,849 1,851 28,852 1,860 2,873 1,874 2.3,877 1,881 14.333,882 8.076,883 6.056,884 2.332,886 4.163,887 1.542,888 1.037,889 4.988,890 11.838,891 3.784,892 4.446,893 5.059,894 5.692,895 6.224,896 6.489,897 6.88,898 7.348,899 7.578,900 7.915,901 0.875,902 44,903 10.316,905 4.476,906 7.982,907 19.077,909 15.5,911 2.482,912 69.5,915 1,916 129.482,917 148.086,918 117.466,920 25.145,921 14.96,922 31.052,923 117.034,924 154.627,925 132.426,926 8.825,927 36.022,928 99.231,929 85.78,930 34.954,931 21.564,932 148.763,934 129.482,935 234.499,936 40.105,937 31.052,939 144.442,940 25.145,943 56.539,944 129.413,945 48.547,946 31.052,947 144.442,948 142.611,949 148.086,952 129.482,953 64.308,954 83.778,955 36.022,956 121.549,957 129.482,958 157.571,959 148.086,961 0.588,962 0.344,963 0.189,964 0.104,965 22,966 10,967 0.065,968 3,969 1,970 1.095,971 4.029,972 240.936,973 0.095,974 21,975 130.606,977 1,981 18.417,982 7.584,983 3.866,984 1.421,985 157.571,986 12.998,987 12.589,990 1.245,991 2.914,993 68.919,994 435.139,995 43,1000 12.146,1004 -0.533,1007 43.945,1008 48.535,1009 0.336,1010 0.733,1011 0.853,1012 0.928,1013 0.937,1014 0.937,1015 5.014,1016 1.517,1017 5.866,1018 5.322,1019 4.489,1020 5.133,1021 1.758,1022 6.683,1023 4.401,1024 6.249,1025 1.372,1026 7.43,1027 4.079,1028 4.111,1029 4.997,1030 1.195,1031 7.594,1032 3.987,1033 7.569,1034 1.064,1035 9.09,1036 3.598,1037 6.089,1038 7.403,1039 2.415,1040 10.705,1041 5.925,1042 8.926,1043 1,1044 10.809,1045 2.685,1046 6.509,1047 8.091,1048 2.324,1049 12.482,1050 6.306,1051 10.312,1052 0.744,1053 12.567,1054 2.275,1055 7.973,1056 9.976,1057 3.244,1058 15.125,1059 7.738,1060 11.721,1061 0.286,1062 14.354,1063 1.81,1064 8.77,1065 11.075,1066 3.407,1067 17.281,1068 8.492,1069 13.15,1070 -0.012,1071 16.164,1072 0.669,1073 10.032,1074 12.742,1075 4.156,1076 19.773,1077 9.722,1078 3.229,1079 -0.31,1080 17.991,1081 -0.029,1082 11.012,1083 14.053,1084 4.464,1085 22.093,1086 10.659,1087 2.89,1088 11.489,1089 19.834,1090 -0.731,1091 12.194,1092 15.626,1093 5.111,1094 24.54,1095 11.807,1096 2.663,1097 8.874,1098 21.689,1099 4.626,1100 13.263,1101 17.044,1102 5.504,1103 26.928,1104 12.833,1105 2.402,1106 8.061,1107 23.555,1108 3.891,1109 14.418,1110 18.581,1111 6.091,1112 29.364,1113 13.953,1114 2.122,1115 7.218,1116 25.43,1117 3.671,1118 15.53,1119 20.052,1120 6.531,1121 31.781,1122 15.023,1123 2,1124 5.765,1125 27.313,1126 3.078,1127 16.678,1128 21.576,1129 7.083,1130 34.216,1131 16.134,1132 1.944,1133 5.677,1134 29.202,1135 2.814,1136 17.812,1137 23.074,1138 7.551,1139 36.646,1140 17.227,1141 10256,1142 18742,1143 20.69,1144 30.881,1145 47.019,1146 48.027,1147 48.439,1148 46.465,1149 46.467,1150 64.135,1151 3.806,1152 135.046,1153 44.341,1154 5.537,1155 5.575,1156 6.428,1157 5.269,1158 5.229,1159 7.626,1160 2.912,1161 18.662,1162 5.107,1163 13.914,1164 1.517,1165 1.549,1166 1.563,1167 1.499,1168 1.499,1169 2.069,1170 0.123,1171 4.356,1172 1.43,1173 4.078,1174 4.103,1175 4.31,1176 4.025,1177 8.201,1178 4.005,1179 3.941,1180 3.972,1181 3.906,1182 3.857,1183 7.431,1184 3.859,1185 3.829,1186 3.864,1187 3.808,1188 3.751,1189 5.238,1190 3.741,1191 3.439,1192 3.489,1193 3.43,1194 3.172,1195 4.841,1196 3.218,1197 3.224,1198 3.29,1199 3.38,1200 3.048,1201 4.707,1202 3.043,1203 3.159,1204 3.227,1205 3.052,1206 2.976,1207 4.65,1208 2.967,1209 3,1210 3.106,1211 2.956,1212 2.811,1213 4.41,1214 2.787,1215 2.862,1216 2.935,1217 2.753,1218 2.735,1219 4.012,1220 2.715,1221 0.151,1222 0.115,1223 0.222,1224 0.135,1225 0.104,1226 4.666,1227 0.149,1228 3.575,1229 0.053,1230 6.884,1231 0.371,1232 4.191,1233 0.1,1234 3.229,1235 4.626,1236 1.656,1237 11.489,1238 3.107,1239 1.94,1240 1.916,1241 2.026,1242 2.043,1243 1.139,1244 2.037,1245 1.903,1246 1.876,1247 2.007,1248 2.002,1249 1.12,1250 2.002,1251 1.748,1252 1.716,1253 1.786,1254 1.903,1255 0.871,1256 1.886,1257 1.327,1258 1.281,1259 1.534,1260 1.609,1261 0.589,1262 1.575,1263 1.19,1264 1.139,1265 1.379,1266 1.401,1267 0.365,1268 1.421,1269 1.093,1270 1.045,1271 1.197,1272 1.314,1273 0.245,1274 1.315,1275 0.888,1276 0.828,1277 1.181,1278 1.207,1279 0.218,1280 1.198,1281 0.886,1282 0.821,1283 1.152,1284 1.062,1285 0.048,1286 1.107,1287 4.143,1289 5.476,1290 2.398,1291 6.999,1292 4.727,1293 8.609,1294 6.862,1295 10.265,1297 1.821,1299 13.77,1301 5.95,1305 5.179,1314 30.048,1315 78.506,1316 170.923,1317 198.923,1318 216.574,1319 218.574,1320 218.574,1321 49.756,1322 7.675,1323 105.82,1324 134.06,1325 23,1326 12.587,1327 4.585,1328 3.7,1329 42.77,1330 125,1331 98,1332 0.168,1333 188.341,1334 314.55,1335 451.312,1336 24583,1337 2.3,1338 19.673,1339 0.703,1340 0.555,1341 19.156,1342 15.549,1343 13.508,1344 0.436,1345 0.293,1346 8.254,1347 12.524,1348 7.998,1349 6.654,1350 13.551,1351 9.088,1352 12.5,1353 0.284,1354 0.156,1355 12.533,1356 6.862,1357 10.363,1358 0.179,1359 0.084,1360 10.488,1361 4.845,1362 8.822,1363 0.115,1364 0.045,1365 9.53,1366 3.498,1367 7.159,1368 0.076,1369 0.024,1370 7.378,1371 2.272,1372 0.271,1373 89.5,1374 0.22,1375 27.109,1376 0.444,1377 150,1378 519.62,1379 189.458,1380 506.246,1381 685.33,1382 470,1383 177,1384 490.275,1385 213.647,1386 511.24,1387 743.76,1388 479,1389 5.3}
{0 CHEMBL271381,1 1.731,2 12.483,3 4.22,4 17.806,5 114.497,6 9.855,7 0.688,8 3.963,9 4.063,10 3.762,11 3.541,12 5.198,13 3.54,14 4.415,15 4.535,16 4.167,17 3.921,18 5.643,19 3.9,20 4.62,21 4.767,22 4.223,23 4.036,24 5.805,25 3.991,26 4.68,27 4.846,28 4.216,29 4.004,30 5.872,31 3.961,32 4.694,33 4.88,34 4.014,35 3.939,36 5.907,37 3.881,38 4.621,39 4.829,40 4.023,41 3.799,42 5.794,43 3.742,44 4.404,45 4.614,46 3.672,47 3.659,48 5.464,49 3.574,50 4.318,51 4.538,52 3.762,53 3.613,54 5.369,55 3.505,56 0.15,57 0.663,58 5.345,59 3.709,60 11.879,61 4.014,62 0.315,63 1.007,64 11.186,65 6.525,66 24.065,67 7.256,68 0.462,69 1.207,70 23.241,71 8.252,72 36.808,73 8.926,74 0.403,75 1.254,76 22.865,77 8.809,78 31.059,79 10.009,80 0.527,81 1.258,82 27.628,83 8.974,84 54.405,85 9.84,86 0.535,87 1.169,88 23.989,89 7.946,90 55.291,91 8.973,92 0.368,93 0.945,94 20.276,95 6.827,96 37.431,97 7.87,98 0.307,99 0.86,100 17.073,101 6.914,102 24.998,103 8.726,104 18,105 45,106 0.292,107 0.619,108 0.728,109 0.842,110 0.87,111 0.877,112 3.408,113 0.891,114 -4.91,115 -4.81,116 -4.51,117 1,119 45.7,124 1,142 10,143 3,144 4,147 1,152 1,159 1,163 1,164 1,165 1,166 1,172 10,175 3,177 1,178 3,179 1,180 5,183 15,185 1,187 1,188 5,190 1,191 1,193 4,196 12,198 1,199 1,200 10,205 9,208 7,210 2,213 8,215 1,216 1,218 7,221 2,223 3,225 9,230 7,233 4,235 2,238 3,243 2,246 6,250 2,253 2,254 1,255 2,257 1,258 8,264 1,267 1,269 1,272 7,276 1272,277 19.679,278 19.679,279 19.679,280 19.679,281 19.679,282 16.893,283 20.842,284 11.487,285 20.172,286 15.736,287 15.736,288 15.736,289 15.736,290 15.736,291 11.51,292 27.457,293 5.37,294 16.48,295 3.793,296 1.852,297 1.206,298 0.527,299 0.364,300 0.321,301 4.104,305 1,306 1,307 787,308 3.24,311 67.192,312 284.589,315 126.729,319 2.019,320 25.77,323 1,324 0.83,325 1,326 0.6,328 1,329 1,330 0.78,331 62.75,332 362,333 4.719,334 3.563,335 6.969,336 4.269,337 3.282,338 4.696,339 1.656,340 11.808,341 3.241,342 4.121,343 3.34,344 6.074,345 3.728,346 2.759,347 3.723,348 0.86,349 8.723,350 2.681,351 4.057,352 2.936,353 5.631,354 3.633,355 2.669,356 3.658,357 0.247,358 7.804,359 2.555,360 3.796,361 2.792,362 5.558,363 3.413,364 2.457,365 3.205,367 7.247,368 2.34,369 3.665,370 2.579,371 5.382,372 3.242,373 2.299,374 3.054,376 6.87,377 2.16,378 3.475,379 2.354,380 4.902,381 3.041,382 2.1,383 2.758,385 5.715,386 1.961,387 3.169,388 2.279,389 4.562,390 2.691,391 1.752,392 2.385,394 4.713,395 1.548,396 2.953,397 1.625,398 4.433,399 2.469,400 1.474,401 2.144,403 4.133,404 1.449,405 2.744,406 1.531,407 4.368,408 2.304,409 1.362,410 1.837,412 3.805,413 1.277,414 2.658,415 1.274,416 3.651,417 2.161,418 1.18,419 1.728,421 2.587,422 1.122,423 2.5,424 1.106,425 3.479,426 2,427 1,428 1.5,430 2.275,431 1,432 2.361,433 1,434 3.414,435 1.903,436 0.934,437 1.305,439 2.24,440 0.9,441 1.718,442 0.793,443 3.038,444 1.399,445 0.49,446 0.581,448 0.893,449 0.441,450 1.317,451 0.637,452 2.891,453 1.023,454 0.082,455 0.096,457 0.199,458 0.077,459 1.183,460 0.307,461 2.545,462 0.776,463 -0.21,464 -0.269,466 -0.488,467 -0.191,468 14.433,469 0.498,470 0.712,471 0.025,472 42.25,473 1.457,474 23.5,475 0.81,476 18.75,477 0.647,478 21.213,479 0.731,480 29.367,481 0.638,482 31.156,483 1.074,484 8.461,485 0.292,486 5.585,487 0.193,488 0.178,490 0.346,496 0.808,497 1.017,498 0.49,499 0.737,500 0.748,501 0.736,502 0.792,503 0.973,504 0.582,505 0.804,506 0.582,507 0.825,508 0.956,509 1.056,510 0.996,511 0.996,512 0.97,513 0.994,514 0.993,515 1.243,516 0.729,517 1.071,518 0.832,519 1.06,520 1.259,521 1.103,522 0.825,523 1.001,524 1.493,525 1.067,526 1.202,527 1.046,528 0.569,529 0.916,530 1.353,531 0.999,532 1.105,533 0.954,534 0.736,535 0.895,536 1.032,537 1.021,538 0.57,539 0.893,540 0.631,541 0.872,542 0.6,543 0.97,544 6,545 0.143,546 3.111,547 2.25,548 1.644,549 1.157,550 0.532,551 0.293,552 0.252,553 0.219,554 11755,555 38544,556 2.09,557 37,559 13,562 4,567 1.714,568 1.955,569 3.557,570 1.663,572 1,577 79.603,578 1.731,579 3.672,580 4.317,581 4.996,582 5.159,583 5.203,584 3.073,585 4.651,586 4.829,587 3.776,588 1533.16,589 8.383,590 21375.8,592 1,595 254.084,596 1.416,597 4.788,598 0.188,599 0.007,600 0.069,601 0.049,602 0.037,603 0.03,604 0.017,605 0.011,606 0.01,607 0.01,608 0.428,610 1,611 0.729,612 149.347,613 -0.028,614 0.092,615 -0.003,616 0.063,617 -0.123,618 0.063,619 0.088,620 0.064,621 0.027,622 0.057,623 0.095,624 0.038,625 -0.023,626 -0.026,627 -0.093,628 -0.061,629 -0.085,630 -0.089,631 -0.032,632 -0.258,633 -0.011,634 -0.168,635 0.051,636 -0.125,637 -0.181,638 -0.115,639 -0.092,640 -0.096,641 -0.138,642 -0.122,643 -0.134,644 -0.052,645 0.046,646 -0.041,647 -0.107,648 -0.039,649 -0.19,650 0.03,651 -0.049,652 0.011,653 -0.19,654 -0.036,655 0.167,656 0.039,657 0.098,658 0.077,659 0.113,660 0.083,661 1.994,662 5.215,663 0.724,664 29.857,665 1.017,666 1.117,667 3.676,668 13.51,669 0.719,670 3.497,671 3.829,672 4.111,673 4.407,674 4.605,675 4.673,676 4.771,677 4.875,678 4.898,679 4.99,680 7.386,681 0.694,682 453.32,683 3.497,684 5.043,685 5.9,686 6.788,687 7.662,688 8.555,689 9.437,690 10.335,691 11.222,692 12.122,693 8.7,697 1,700 2,703 1,708 2,709 10,710 1,712 1,714 7,716 22,727 1,733 1,734 1,735 46,737 23,738 3,739 32,740 1,741 49,742 21,743 19,744 8,745 10,748 4,749 5,753 1,762 20,763 1,767 1,772 1,776 1,780 1,783 17,784 7,785 4,786 8,787 1,791 1,792 4,797 0.75,798 3,815 1,816 3,819 1,843 3,846 1,847 1,851 29,852 1,860 2,861 1,873 1,874 6.5,877 1,879 2,881 14.833,882 8.51,883 6.389,884 2.445,886 4.059,887 1.525,888 1.022,889 5.645,890 11.787,891 3.807,892 4.457,893 5.082,894 5.732,895 6.268,896 6.579,897 7,898 7.43,899 7.682,900 8.038,901 1,902 46,903 10.627,905 4.508,906 7.825,907 19.916,909 16.046,911 2.325,912 67.417,915 1,916 153.024,917 139.842,918 134.469,920 45.879,923 185.796,924 198.903,925 88.515,926 10.883,927 36.022,928 127.66,929 44.742,930 43.49,931 11.44,932 153.024,933 45.954,934 153.024,935 228.357,936 45.879,938 45.954,939 153.024,940 45.879,943 36.022,944 172.739,945 19.597,946 45.954,947 153.024,948 134.394,949 185.796,952 153.024,953 34.196,954 105.646,955 81.976,956 98.373,957 153.024,958 134.394,959 185.796,961 0.581,962 0.343,963 0.194,964 0.103,965 22,966 10,967 0.082,968 4,969 1,970 1.095,971 4.096,972 253.499,973 0.095,974 21,975 134.881,981 19.608,982 8.349,983 4.183,984 1.19,985 134.394,986 18.487,987 3.848,989 5.306,991 4.87,993 68.919,994 473.214,995 44,1000 12.215,1004 -0.328,1007 46.803,1008 51.369,1009 0.313,1010 0.665,1011 0.782,1012 0.905,1013 0.934,1014 0.942,1015 5.034,1016 1.474,1017 5.889,1018 4.713,1019 4.511,1020 5.145,1021 1.985,1022 6.711,1023 4.432,1024 6.262,1025 1.362,1026 7.452,1027 4.133,1028 4.111,1029 4.997,1030 1.195,1031 7.639,1032 3.972,1033 7.581,1034 1.18,1035 9.113,1036 3.805,1037 6.111,1038 7.414,1039 2.508,1040 10.76,1041 5.981,1042 8.937,1043 1,1044 10.835,1045 2.587,1046 6.524,1047 8.108,1048 2.324,1049 12.568,1050 6.358,1051 10.325,1052 0.934,1053 12.598,1054 2.275,1055 7.999,1056 9.998,1057 3.275,1058 15.229,1059 7.837,1060 11.737,1061 0.49,1062 14.39,1063 2.24,1064 8.798,1065 11.114,1066 3.407,1067 17.422,1068 8.617,1069 13.168,1070 0.082,1071 16.207,1072 0.893,1073 10.067,1074 12.787,1075 4.165,1076 19.942,1077 9.886,1078 3.282,1079 -0.21,1080 18.044,1081 0.199,1082 11.057,1083 14.12,1084 4.464,1085 22.298,1086 10.866,1087 2.759,1088 11.808,1089 19.897,1090 -0.488,1091 12.249,1092 15.704,1093 5.114,1094 24.777,1095 12.055,1096 2.669,1097 8.723,1098 21.763,1099 4.696,1100 13.333,1101 17.146,1102 5.504,1103 27.199,1104 13.132,1105 2.457,1106 7.804,1107 23.642,1108 3.723,1109 14.502,1110 18.698,1111 6.092,1112 29.668,1113 14.297,1114 2.299,1115 7.247,1116 25.53,1117 3.658,1118 15.632,1119 20.192,1120 6.531,1121 32.117,1122 15.421,1123 2.1,1124 6.87,1125 27.427,1126 3.205,1127 16.799,1128 21.735,1129 7.084,1130 34.583,1131 16.581,1132 1.752,1133 5.715,1134 29.33,1135 3.054,1136 17.953,1137 23.255,1138 7.551,1139 37.043,1140 17.728,1141 11144,1142 20324,1143 21.383,1144 33.068,1145 48.122,1146 49.105,1147 49.956,1148 47.865,1149 47.68,1150 65.338,1151 5.526,1152 138.023,1153 45.502,1154 5.585,1155 5.563,1156 6.525,1157 5.312,1158 5.282,1159 7.696,1160 2.912,1161 19.209,1162 5.241,1163 14.374,1164 1.504,1165 1.535,1166 1.561,1167 1.496,1168 1.49,1169 2.042,1170 0.173,1171 4.313,1172 1.422,1173 4.123,1174 4.134,1175 6.88,1176 4.032,1177 7.431,1178 4.044,1179 3.917,1180 3.947,1181 4.101,1182 3.859,1183 5.365,1184 3.843,1185 3.84,1186 3.867,1187 3.827,1188 3.75,1189 4.862,1190 3.756,1191 3.428,1192 3.471,1193 3.738,1194 3.175,1195 4.776,1196 3.214,1197 3.394,1198 3.441,1199 3.36,1200 3.153,1201 4.732,1202 3.188,1203 3.202,1204 3.267,1205 3.308,1206 2.971,1207 4.605,1208 2.982,1209 2.946,1210 3.01,1211 3.064,1212 2.866,1213 4.246,1214 2.801,1215 2.87,1216 2.925,1217 2.792,1218 2.771,1219 3.998,1220 2.759,1221 0.147,1222 0.111,1223 0.218,1224 0.133,1225 0.103,1226 4.719,1227 0.147,1228 3.563,1229 0.052,1230 6.969,1231 0.369,1232 4.269,1233 0.101,1234 3.282,1235 4.696,1236 1.656,1237 11.808,1238 3.241,1239 2.005,1240 1.991,1241 2.075,1242 2.076,1243 1.233,1244 2.075,1245 1.883,1246 1.859,1247 1.961,1248 1.976,1249 1.07,1250 1.98,1251 1.772,1252 1.751,1253 1.867,1254 1.884,1255 0.976,1256 1.88,1257 1.316,1258 1.273,1259 1.574,1260 1.641,1261 0.579,1262 1.594,1263 1.25,1264 1.201,1265 1.408,1266 1.557,1267 0.355,1268 1.513,1269 1.14,1270 1.056,1271 1.381,1272 1.468,1273 0.311,1274 1.473,1275 0.933,1276 0.906,1277 1.181,1278 1.204,1279 0.218,1280 1.159,1281 0.886,1282 0.831,1283 1.124,1284 1.084,1285 0.207,1286 1.107,1287 4.174,1289 5.501,1290 2.398,1291 7.022,1292 4.727,1293 8.634,1294 6.843,1295 10.297,1296 3.378,1297 1.562,1301 5.989,1305 5.597,1306 5.304,1314 31.943,1315 79.603,1316 168.89,1317 198.6,1318 229.819,1319 237.329,1320 239.329,1321 45.075,1322 7.728,1323 102.41,1324 102.41,1325 23,1326 12.647,1327 4.585,1328 3.7,1329 45.038,1330 132,1331 116,1332 0.169,1333 201.514,1334 339.43,1335 483.455,1336 25584,1337 2.2,1338 20.38,1339 0.703,1340 0.586,1341 21.38,1342 16.987,1343 14.046,1344 0.439,1345 0.297,1346 8.618,1347 12.901,1348 8.38,1349 6.963,1350 14.623,1351 9.501,1352 12.701,1353 0.282,1354 0.159,1355 13.517,1356 7.17,1357 10.615,1358 0.177,1359 0.081,1360 11.14,1361 4.862,1362 9.282,1363 0.115,1364 0.042,1365 9.819,1366 3.442,1367 7.228,1368 0.073,1369 0.022,1370 7.56,1371 2.183,1372 0.272,1373 96.808,1374 0.216,1375 27.897,1376 0.448,1377 154,1378 489.484,1379 235.583,1380 509.137,1381 688.29,1382 474,1383 182,1384 492.29,1385 226.06,1386 508.823,1387 739.21,1388 477,1389 5.3}
{0 CHEMBL272453,1 1.731,2 12.759,3 4.136,4 17.104,5 111.679,6 8.888,7 0.688,8 3.964,9 4.064,10 3.672,11 3.526,12 5.211,13 3.534,14 4.417,15 4.537,16 4.045,17 3.901,18 5.661,19 3.892,20 4.623,21 4.771,22 4.131,23 4.012,24 5.839,25 3.985,26 4.678,27 4.848,28 4.068,29 3.998,30 5.875,31 3.948,32 4.68,33 4.873,34 3.873,35 3.913,36 5.89,37 3.84,38 4.571,39 4.791,40 3.778,41 3.728,42 5.751,43 3.667,44 4.34,45 4.557,46 3.538,47 3.57,48 5.449,49 3.493,50 4.22,51 4.429,52 3.572,53 3.491,54 5.366,55 3.425,56 0.16,57 0.666,58 6.794,59 3.673,60 12.206,61 4.038,62 0.33,63 1.006,64 12.707,65 6.368,66 24.65,67 7.237,68 0.483,69 1.196,70 19.35,71 7.685,72 40.969,73 8.6,74 0.427,75 1.234,76 21.397,77 8.543,78 32.974,79 10.034,80 0.546,81 1.203,82 26.824,83 8.719,84 57.513,85 10.314,86 0.557,87 1.083,88 22.565,89 7.568,90 62.132,91 9.281,92 0.447,93 0.876,94 17.418,95 6.067,96 38.344,97 7.709,98 0.289,99 0.774,100 14.59,101 5.76,102 23.187,103 7.421,104 18,105 45,106 0.292,107 0.619,108 0.728,109 0.842,110 0.87,111 0.877,112 3.407,113 0.852,114 -4.8,115 -4.71,116 -4.42,119 45.7,124 1,142 10,143 3,144 4,147 1,152 1,159 1,163 1,164 1,165 1,166 1,172 10,175 4,177 1,178 3,179 1,180 5,183 14,185 1,188 7,190 1,191 1,193 4,196 13,198 1,200 9,205 9,208 8,210 3,213 7,216 1,218 7,221 4,223 3,225 6,230 6,233 6,235 2,237 1,238 1,241 1,243 2,246 6,250 2,253 2,254 1,255 3,257 1,258 6,264 3,269 1,272 5,276 1317,277 19.679,278 19.679,279 19.679,280 19.679,281 19.679,282 16.885,283 19.564,284 11.442,285 20.122,286 15.72,287 15.72,288 15.72,289 15.72,290 15.72,291 11.497,292 26.323,293 5.327,294 16.383,295 3.793,296 1.852,297 1.206,298 0.527,299 0.364,300 0.321,301 4.104,302 1,305 1,306 1,307 809,308 3.24,311 70.341,312 290.154,315 131.818,319 2.128,320 27.557,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 63.333,332 370,333 4.661,334 3.565,335 6.879,336 4.215,337 3.223,338 4.621,339 1.656,340 11.471,341 3.198,342 4.248,343 3.251,344 6.065,345 3.809,346 2.878,347 3.894,348 0.86,349 8.742,350 2.679,351 4.079,352 3.239,353 5.887,354 3.668,355 2.693,356 3.694,357 0.247,358 8.165,359 2.614,360 3.803,361 2.676,362 5.53,363 3.452,364 2.486,365 3.14,367 7.46,368 2.38,369 3.582,370 2.409,371 5.271,372 3.198,373 2.241,374 2.923,376 6.705,377 2.128,378 3.344,379 2.327,380 4.953,381 2.882,382 1.915,383 2.703,385 5.408,386 1.848,387 3.274,388 2.144,389 4.661,390 2.826,391 1.831,392 2.498,394 4.992,395 1.803,396 2.955,397 1.983,398 4.435,399 2.474,400 1.484,401 2.149,403 4.139,404 1.47,405 2.847,406 1.535,407 4.157,408 2.358,409 1.467,410 1.978,412 3.699,413 1.236,414 2.631,415 1.185,416 3.817,417 2.138,418 1.157,419 1.693,421 2.803,422 1.133,423 2.5,424 1.113,425 3.414,426 2,427 1,428 1.5,430 2.275,431 1,432 2.174,433 1,434 3.327,435 1.714,436 0.724,437 1.032,439 1.754,440 0.715,441 1.854,442 0.781,443 3.073,444 1.545,445 0.67,446 0.767,448 1.222,449 0.572,450 1.346,451 0.635,452 2.819,453 1.028,454 0.082,455 0.096,457 0.199,458 0.077,459 1.138,460 0.397,461 2.558,462 0.78,463 -0.176,464 -0.217,466 -0.334,467 -0.154,468 13.814,469 0.476,470 0.712,471 0.025,472 42.5,473 1.466,474 23.5,475 0.81,476 19,477 0.655,478 19.681,479 0.679,480 29.986,481 0.652,482 32.336,483 1.115,484 8.732,485 0.301,486 5.314,487 0.183,488 0.141,490 0.362,496 0.786,497 1.039,498 0.597,499 0.82,500 0.731,501 0.756,502 0.78,503 1,504 0.654,505 0.886,506 0.58,507 0.848,508 0.991,509 1.062,510 0.941,511 0.995,512 0.962,513 0.977,514 0.977,515 1.227,516 0.962,517 1.135,518 0.851,519 1.109,520 1.135,521 1.099,522 1.358,523 1.191,524 1.527,525 1.182,526 0.977,527 1.008,528 0.806,529 0.95,530 1.196,531 0.968,532 0.759,533 0.932,534 0.906,535 0.912,536 0.747,537 0.984,538 0.626,539 0.98,540 0.706,541 0.957,542 0.741,543 0.94,544 6,545 0.118,546 3.333,547 2.347,548 1.439,549 0.966,550 0.532,551 0.332,552 0.244,553 0.232,554 12131,555 39432,556 2.09,557 37,559 13,562 4,567 1.713,568 1.955,569 3.582,570 1.663,572 1,577 79.603,578 1.731,579 3.672,580 4.317,581 4.996,582 5.159,583 5.203,584 3.069,585 4.556,586 4.832,587 3.82,588 1551.03,589 8.376,590 21911.6,592 1,594 1,595 254.084,596 1.416,597 4.788,598 0.188,599 0.005,600 0.074,601 0.051,602 0.034,603 0.028,604 0.018,605 0.013,606 0.01,607 0.01,608 0.431,610 1,611 0.729,612 150.133,613 -0.032,614 0.086,615 0.008,616 0.069,617 -0.124,618 0.065,619 0.076,620 0.05,621 0.058,622 0.046,623 0.087,624 0.033,625 -0.061,626 -0.026,627 -0.064,628 -0.049,629 -0.076,630 -0.068,631 -0.089,632 -0.239,633 -0.056,634 -0.167,635 0.016,636 -0.148,637 -0.163,638 -0.128,639 -0.271,640 -0.2,641 -0.201,642 -0.192,643 -0.013,644 -0.04,645 0.092,646 0.013,647 -0.008,648 0.046,649 0.084,650 0.057,651 -0.002,652 0.053,653 0.033,654 0.029,655 0.17,656 -0.023,657 0.214,658 0.033,659 0.159,660 0.096,661 2.052,662 5.254,663 0.724,664 29.394,665 1.02,666 1.119,667 3.568,668 12.729,669 0.708,670 3.497,671 3.829,672 4.111,673 4.382,674 4.554,675 4.585,676 4.691,677 4.804,678 4.779,679 4.875,680 7.598,681 0.69,682 408.87,683 3.497,684 5.043,685 5.9,686 6.783,687 7.653,688 8.54,689 9.415,690 10.303,691 11.181,692 12.071,693 8.7,697 1,700 2,703 1,708 2,709 10,710 1,712 1,714 7,716 22,727 1,733 1,734 1,735 46,737 23,738 3,739 32,741 49,742 21,743 19,744 8,745 10,748 4,749 5,750 1,753 1,762 20,763 1,767 1,772 1,776 1,780 1,783 17,784 7,785 4,786 8,787 1,791 1,792 4,797 0.75,798 3,815 1,816 3,819 1,843 3,847 1,848 1,851 29,852 1,860 2,861 1,873 1,874 6.5,877 1,879 2,881 14.833,882 8.51,883 6.389,884 2.445,886 4.14,887 1.535,888 1.017,889 5.51,890 11.871,891 3.807,892 4.457,893 5.078,894 5.707,895 6.229,896 6.5,897 6.918,898 7.339,899 7.53,900 7.9,901 1,902 46,903 10.618,905 4.521,906 7.872,907 19.807,909 15.961,911 2.372,912 68.778,915 1,916 153.024,917 140.287,918 88.515,919 39.149,920 45.879,923 140.287,924 238.052,925 88.515,926 10.883,927 36.022,928 127.66,929 44.742,930 43.936,931 11.44,932 153.024,933 39.149,934 153.024,935 228.802,936 45.879,937 39.149,939 153.024,940 45.879,943 36.022,944 173.184,945 58.745,947 153.024,948 134.394,949 179.436,952 153.024,953 34.642,954 105.646,955 36.022,956 137.521,957 153.024,958 134.394,959 179.436,961 0.583,962 0.349,963 0.192,964 0.097,965 22,966 10,967 0.082,968 4,969 1,970 1.095,971 4.126,972 250.863,973 0.095,974 21,975 136.881,981 19.422,982 8.228,983 4.109,984 1.391,985 134.394,986 18.029,987 3.816,989 5.209,991 4.322,993 68.919,994 466.854,995 44,1000 12.254,1004 -0.385,1007 46.898,1008 51.472,1009 0.313,1010 0.665,1011 0.782,1012 0.905,1013 0.934,1014 0.942,1015 5.034,1016 1.484,1017 5.889,1018 4.992,1019 4.511,1020 5.145,1021 1.985,1022 6.706,1023 4.437,1024 6.262,1025 1.467,1026 7.452,1027 4.139,1028 4.111,1029 4.997,1030 1.195,1031 7.621,1032 3.983,1033 7.581,1034 1.157,1035 9.113,1036 3.699,1037 6.111,1038 7.411,1039 2.508,1040 10.724,1041 5.982,1042 8.937,1043 1,1044 10.832,1045 2.803,1046 6.524,1047 8.098,1048 2.324,1049 12.5,1050 6.349,1051 10.324,1052 0.724,1053 12.59,1054 2.275,1055 7.995,1056 9.983,1057 3.275,1058 15.132,1059 7.821,1060 11.733,1061 0.67,1062 14.376,1063 1.754,1064 8.788,1065 11.082,1066 3.407,1067 17.283,1068 8.583,1069 13.161,1070 0.082,1071 16.184,1072 1.222,1073 10.048,1074 12.747,1075 4.165,1076 19.768,1077 9.842,1078 3.223,1079 -0.176,1080 18.01,1081 0.199,1082 11.024,1083 14.056,1084 4.464,1085 22.083,1086 10.801,1087 2.878,1088 11.471,1089 19.85,1090 -0.334,1091 12.202,1092 15.627,1093 5.114,1094 24.526,1095 11.978,1096 2.693,1097 8.742,1098 21.702,1099 4.621,1100 13.266,1101 17.043,1102 5.504,1103 26.91,1104 13.033,1105 2.486,1106 8.165,1107 23.565,1108 3.894,1109 14.417,1110 18.577,1111 6.092,1112 29.344,1113 14.183,1114 2.241,1115 7.46,1116 25.437,1117 3.694,1118 15.523,1119 20.046,1120 6.531,1121 31.759,1122 15.286,1123 1.915,1124 6.705,1125 27.317,1126 3.14,1127 16.668,1128 21.568,1129 7.084,1130 34.192,1131 16.43,1132 1.831,1133 5.408,1134 29.203,1135 2.923,1136 17.797,1137 23.064,1138 7.551,1139 36.62,1140 17.558,1141 11464,1142 20810,1143 21.383,1144 32.574,1145 48.156,1146 49.374,1147 49.828,1148 47.84,1149 47.703,1150 65.377,1151 5.526,1152 138.066,1153 45.704,1154 5.529,1155 5.565,1156 6.422,1157 5.261,1158 5.223,1159 7.621,1160 2.912,1161 18.697,1162 5.198,1163 14.435,1164 1.505,1165 1.543,1166 1.557,1167 1.495,1168 1.491,1169 2.043,1170 0.173,1171 4.315,1172 1.428,1173 4.118,1174 4.133,1175 4.094,1176 4.032,1177 7.431,1178 4.041,1179 3.93,1180 3.952,1181 4.013,1182 3.844,1183 5.362,1184 3.846,1185 3.842,1186 3.868,1187 3.802,1188 3.749,1189 4.993,1190 3.754,1191 3.447,1192 3.485,1193 3.466,1194 3.173,1195 4.831,1196 3.22,1197 3.345,1198 3.405,1199 3.281,1200 3.138,1201 4.746,1202 3.165,1203 3.218,1204 3.284,1205 3.228,1206 2.956,1207 4.495,1208 2.967,1209 2.989,1210 3.033,1211 3.054,1212 2.828,1213 4.399,1214 2.835,1215 2.879,1216 2.925,1217 2.895,1218 2.79,1219 4.338,1220 2.767,1221 0.146,1222 0.111,1223 0.215,1224 0.132,1225 0.101,1226 4.661,1227 0.144,1228 3.565,1229 0.052,1230 6.879,1231 0.358,1232 4.215,1233 0.1,1234 3.223,1235 4.621,1236 1.656,1237 11.471,1238 3.198,1239 2.008,1240 1.991,1241 2.083,1242 2.074,1243 1.231,1244 2.077,1245 1.876,1246 1.858,1247 1.95,1248 1.985,1249 1.06,1250 1.979,1251 1.774,1252 1.749,1253 1.881,1254 1.879,1255 0.976,1256 1.879,1257 1.3,1258 1.256,1259 1.575,1260 1.627,1261 0.576,1262 1.577,1263 1.266,1264 1.211,1265 1.436,1266 1.594,1267 0.38,1268 1.557,1269 1.154,1270 1.082,1271 1.357,1272 1.459,1273 0.298,1274 1.456,1275 0.944,1276 0.917,1277 1.181,1278 1.204,1279 0.218,1280 1.167,1281 0.886,1282 0.824,1283 1.129,1284 1.062,1285 0.197,1286 1.107,1287 4.174,1289 5.501,1290 2.398,1291 7.022,1292 4.727,1293 8.631,1294 6.823,1295 10.288,1297 1.53,1298 6.076,1301 5.925,1305 5.511,1306 5.099,1314 31.745,1315 79.603,1316 168.89,1317 198.6,1318 229.819,1319 237.329,1320 239.329,1321 46.054,1322 7.731,1323 102.41,1324 102.41,1325 23,1326 12.602,1327 4.585,1328 3.7,1329 45.116,1330 135,1331 133,1332 0.163,1333 197.933,1334 335.36,1335 474.718,1336 26558,1337 2.2,1338 20.38,1339 0.703,1340 0.557,1341 20.88,1342 16.157,1343 14.046,1344 0.439,1345 0.284,1346 8.6,1347 13.181,1348 8.38,1349 6.963,1350 14.335,1351 9.086,1352 12.669,1353 0.282,1354 0.148,1355 13.04,1356 6.66,1357 10.749,1358 0.179,1359 0.078,1360 11.103,1361 4.684,1362 9.27,1363 0.117,1364 0.042,1365 9.638,1366 3.284,1367 7.041,1368 0.075,1369 0.022,1370 7.196,1371 2.026,1372 0.264,1373 91.612,1374 0.216,1375 28.028,1376 0.425,1377 154,1378 497.033,1379 185.232,1380 509.112,1381 688.29,1382 474,1383 182,1384 495.42,1385 209.712,1386 508.778,1387 739.12,1388 477,1389 5.7}
{0 CHEMBL274064,1 1.567,2 8.48,3 1.884,4 3.551,5 94.999,6 7.692,7 0.607,8 3.906,9 4.044,10 3.503,11 3.422,12 5.036,13 3.42,14 4.437,15 4.622,16 3.865,17 3.823,18 5.551,19 3.796,20 4.704,21 4.943,22 3.881,23 3.952,24 5.701,25 3.89,26 4.709,27 4.947,28 3.881,29 3.962,30 5.694,31 3.892,32 4.707,33 4.938,34 3.92,35 3.996,36 5.686,37 3.93,38 4.719,39 4.94,40 3.93,41 3.997,42 5.806,43 3.93,44 4.747,45 4.981,46 3.789,47 3.971,48 5.782,49 3.865,50 4.755,51 5.037,52 3.528,53 3.792,54 5.763,55 3.647,56 0.054,57 0.791,58 8.626,59 3.514,60 9.453,61 4.743,62 0.227,63 1.249,64 16.399,65 6.108,66 25.1,67 8.356,68 0.34,69 1.465,70 24.273,71 8.028,72 39.934,73 11.384,74 0.333,75 1.439,76 24.194,77 8.162,78 37.019,79 11.718,80 0.296,81 1.437,82 23.464,83 7.964,84 29.021,85 11.683,86 0.379,87 1.503,88 23.347,89 7.866,90 41.312,91 11.389,92 0.321,93 1.489,94 24.688,95 8.858,96 38.467,97 12.685,98 0.391,99 1.352,100 27.547,101 8.637,102 60.223,103 12.916,104 5,105 39,106 0.27,107 0.647,108 0.795,109 0.825,110 0.825,111 0.825,112 3.269,113 0.894,114 -4.2,115 -4.14,116 -3.91,119 40.9,121 2,125 2,127 1,142 5,143 1,144 1,145 1,146 2,150 1,152 1,160 1,163 1,164 1,165 1,172 4,174 2,175 5,177 2,178 2,180 2,183 5,187 1,188 4,196 2,199 1,200 8,203 1,205 1,208 1,210 1,212 1,213 6,215 1,216 1,221 6,224 1,225 3,227 1,228 2,230 1,233 6,235 1,238 4,241 1,243 6,246 4,248 4,250 2,255 4,260 2,267 1,268 1,269 2,271 1,276 991,277 17.206,278 17.206,279 17.206,280 17.206,281 17.206,282 15.183,283 17.439,284 10.271,285 17.657,286 13.852,287 13.852,288 13.852,289 13.852,290 13.852,291 10.853,292 20.662,293 4.906,294 14.607,295 3.893,296 1.711,297 0.855,298 0.682,299 0.682,300 0.682,301 3.967,304 1,305 1,306 1,307 463,308 2,311 65.41,312 225.9,319 1.261,320 24.261,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 54.5,332 212,333 4.622,334 3.33,335 6.988,336 4.239,337 3.284,338 4.34,339 0.4,340 11.921,341 3.139,342 4.047,343 2.919,344 6.076,345 3.663,346 2.692,347 3.653,349 8.743,350 2.609,351 3.913,352 2.703,353 5.728,354 3.533,355 2.59,356 3.444,358 7.758,359 2.449,360 3.618,361 2.582,362 5.13,363 3.259,364 2.321,365 2.892,367 6.246,368 2.162,369 3.335,370 2.182,371 4.965,372 2.979,373 2.039,374 2.563,376 5.741,377 1.902,378 3.058,379 1.92,380 4.585,381 2.693,382 1.759,383 2.208,385 4.626,386 1.639,387 2.684,388 1.584,389 4.226,390 2.352,391 1.414,392 1.766,394 3.543,395 1.321,396 2.655,397 1.222,398 3.742,399 2.149,400 1.207,401 1.69,403 2.686,404 1.134,405 2.5,406 1.077,407 3.489,408 2,409 1,410 1.5,412 2.465,413 1,414 2.302,415 1.04,416 3.463,417 1.984,418 1,419 1.212,421 2.275,422 0.983,423 2.139,424 1,425 3.414,426 1.873,427 0.934,428 1.084,430 2.136,431 0.874,432 2,433 0.805,434 3.247,435 1.719,436 0.8,437 1,439 2.119,440 0.734,441 1.159,442 0.336,443 2.724,444 0.787,445 -0.137,446 -0.166,448 -0.314,449 -0.123,450 0.945,451 -0.243,452 2.328,453 0.527,454 -0.397,455 -0.502,457 -0.884,458 -0.366,459 0.744,460 -0.352,461 2.201,462 0.391,463 -0.535,464 -0.615,466 -1.324,467 -0.491,468 11.686,469 0.467,470 0.538,471 0.022,472 33.75,473 1.35,474 16.5,475 0.66,476 17.25,477 0.69,478 18.971,479 0.759,480 26.714,481 0.607,482 24.135,483 0.965,484 6.566,485 0.263,486 5.655,487 0.226,488 0.059,490 0.334,494 1,496 0.77,497 1.248,498 0.749,499 1.051,500 0.654,501 0.917,502 0.738,503 1.014,504 0.856,505 1.014,506 0.515,507 0.965,508 0.98,509 0.96,510 0.934,511 0.906,512 0.803,513 0.905,514 0.826,515 0.934,516 0.917,517 0.953,518 0.702,519 0.95,520 0.646,521 0.867,522 0.884,523 0.942,524 0.464,525 0.946,526 0.716,527 0.912,528 1.021,529 1.061,530 0.575,531 1.086,532 0.709,533 1.031,534 1.096,535 1.251,536 0.755,537 1.252,538 0.839,539 1.033,540 1.093,541 1.182,542 0.926,543 1.188,544 4,545 0.037,546 2.667,547 1.465,548 1.466,549 0.862,550 0.473,551 0.357,552 0.229,553 0.144,554 6559,555 18228,556 2.154,557 43.2,559 10,561 2,562 3,565 4,567 1.69,568 2.055,569 3.049,570 1.005,571 1,572 1,574 1,577 68.936,578 1.567,579 3.748,580 4.605,581 4.778,582 4.778,583 4.778,584 2.504,585 4.164,586 4.612,587 3.193,588 957.975,589 8.031,590 11308.1,592 1,594 1,595 240.215,596 1.26,597 4.592,598 0.143,599 0.007,600 0.068,601 0.038,602 0.038,603 0.021,604 0.012,605 0.011,606 0.01,607 0.012,608 0.359,609 0.5,610 1,611 0.477,612 117.553,613 -0.084,614 -0.163,615 0.041,616 -0.024,617 -0.057,618 0.026,619 0.04,620 0.009,621 0.006,622 -0.027,623 0.104,624 -0.023,625 -0.095,626 0.005,627 0.014,628 0.077,629 -0.003,630 0.073,631 -0.039,632 -0.01,633 0.017,634 0.03,635 -0.02,636 0.034,637 -0.021,638 -0.001,639 0.017,640 0.03,641 -0.017,642 0.033,643 0.024,644 0.02,645 -0.121,646 -0.1,647 0.029,648 -0.133,649 0.023,650 -0.121,651 -0.177,652 -0.25,653 -0.032,654 -0.255,655 0.014,656 -0.182,657 -0.088,658 -0.213,659 -0.018,660 -0.18,661 1.936,662 5.305,663 0.92,664 19.654,665 1.007,666 1.142,667 2.966,668 8.798,669 0.666,670 3.367,671 3.689,672 3.989,673 4.304,674 4.564,675 4.663,676 4.812,677 4.949,678 5.017,679 4.99,680 5.262,681 0.641,682 338.43,683 3.367,684 4.905,685 5.765,686 6.653,687 7.537,688 8.437,689 9.334,690 10.24,691 11.143,692 12.053,693 13.6,695 1,697 1,701 1,703 3,709 7,710 3,714 6,715 1,716 17,727 1,734 1,735 44,737 17,738 1,739 28,741 47,742 18,743 13,744 2,745 4,748 4,749 4,757 3,760 3,762 13,763 5,779 1,780 1,781 1,783 19,784 6,785 3,786 7,789 1,792 6,797 1,810 1,815 1,816 3,838 1,843 4,849 1,851 25,852 1,858 4,860 1,863 1,873 1,881 12.167,882 7.693,883 5.472,884 2.657,886 2.856,887 1.394,888 1.023,889 4.368,890 10.101,891 3.624,892 4.223,893 4.827,894 5.448,895 5.979,896 6.308,897 6.728,898 7.155,899 7.5,900 7.725,901 0.833,902 39,903 9.228,905 3.976,906 7.773,907 17.655,909 14.746,911 2.273,912 56.833,916 188.338,917 96.804,918 103.164,921 14.96,923 96.804,924 188.338,925 118.124,927 9.28,928 98.289,929 82.517,930 28.767,931 19.616,932 164.795,934 188.338,935 199.967,936 14.96,939 156.213,940 47.084,943 54.269,944 95.342,945 50.357,947 203.298,948 103.164,949 96.804,952 188.338,953 31.756,954 66.946,955 18.011,956 98.214,957 188.338,958 118.124,959 96.804,961 0.577,962 0.336,963 0.191,964 0.113,965 20,966 8,967 0.064,968 3,970 1,971 3.655,972 218.714,974 23,975 108.096,981 16.038,982 6.81,983 3.222,985 116.225,986 11.678,987 12.99,991 3.198,992 2.168,993 50.908,994 403.265,995 36.5,1007 44.309,1008 50.236,1009 0.287,1010 0.687,1011 0.843,1012 0.875,1013 0.875,1014 0.875,1015 4.854,1016 1.207,1017 5.74,1018 3.543,1019 4.369,1020 4.909,1021 0.278,1022 6.564,1023 4.269,1024 6.048,1025 1,1026 7.298,1027 2.686,1028 3.892,1029 4.62,1031 7.509,1032 3.727,1033 7.348,1034 1,1035 8.962,1036 2.465,1037 5.958,1038 7.086,1039 0.05,1040 10.667,1041 5.767,1042 8.687,1043 0.934,1044 10.693,1045 2.275,1046 6.347,1047 7.67,1049 12.53,1050 6.097,1051 10.063,1052 0.8,1053 12.469,1054 2.136,1055 7.861,1056 9.571,1057 0.008,1058 15.214,1059 7.584,1060 11.465,1061 -0.137,1062 14.279,1063 2.119,1064 8.66,1065 10.574,1067 17.446,1068 8.33,1069 12.888,1070 -0.397,1071 16.115,1072 -0.314,1073 9.953,1074 12.23,1075 0.001,1076 19.984,1077 9.591,1078 3.284,1079 -0.535,1080 17.97,1081 -0.884,1082 10.952,1083 13.45,1085 22.364,1086 10.54,1087 2.692,1088 11.921,1089 19.84,1090 -1.324,1091 12.161,1092 14.993,1094 24.857,1095 11.712,1096 2.59,1097 8.743,1098 21.723,1099 4.34,1100 13.256,1101 16.327,1103 27.295,1104 12.758,1105 2.321,1106 7.758,1107 23.615,1108 3.653,1109 14.437,1110 17.82,1112 29.775,1113 13.899,1114 2.039,1115 6.246,1116 25.517,1117 3.444,1118 15.578,1119 19.214,1121 32.237,1122 14.992,1123 1.759,1124 5.741,1125 27.425,1126 2.892,1127 16.754,1128 20.686,1130 34.714,1131 16.125,1132 1.414,1133 4.626,1134 29.338,1135 2.563,1136 17.916,1137 22.112,1139 37.185,1140 17.241,1141 6246,1142 10545,1143 19.186,1144 29.302,1145 42.459,1146 42.514,1147 43.249,1148 42.171,1149 42.078,1150 54.703,1151 0.8,1152 120.516,1153 39.891,1154 5.622,1155 5.33,1156 6.79,1157 5.311,1158 5.284,1159 7.34,1160 0.8,1161 19.297,1162 5.139,1163 9.065,1164 1.516,1165 1.518,1166 1.545,1167 1.506,1168 1.503,1169 1.954,1170 0.029,1171 4.304,1172 1.425,1173 4.085,1174 4.132,1175 4.05,1176 3.958,1177 8.201,1178 3.974,1179 3.85,1180 3.89,1181 3.792,1182 3.742,1183 5.238,1184 3.748,1185 3.787,1186 3.85,1187 3.705,1188 3.621,1189 4.928,1190 3.631,1191 3.59,1192 3.662,1193 3.509,1194 3.382,1195 4.589,1196 3.408,1197 3.111,1198 3.206,1199 2.909,1200 2.941,1201 4.527,1202 2.91,1203 3.031,1204 3.141,1205 2.88,1206 2.793,1207 4.342,1208 2.808,1209 3.001,1210 3.088,1211 2.866,1212 2.754,1213 3.914,1214 2.778,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.674,1220 2.715,1221 0.165,1222 0.119,1223 0.25,1224 0.151,1225 0.117,1226 4.622,1227 0.155,1228 3.33,1229 0.014,1230 6.988,1231 0.426,1232 4.239,1233 0.112,1234 3.284,1235 4.34,1236 0.4,1237 11.921,1238 3.139,1239 1.923,1240 1.896,1241 2.05,1242 2.062,1243 1.403,1244 2.06,1245 1.844,1246 1.791,1247 1.992,1248 1.985,1249 1.098,1250 1.989,1251 1.735,1252 1.683,1253 1.838,1254 1.922,1255 0.871,1256 1.903,1257 1.305,1258 1.231,1259 1.513,1260 1.593,1261 0.825,1262 1.566,1263 1.23,1264 1.18,1265 1.48,1266 1.426,1267 0.624,1268 1.429,1269 1.153,1270 1.064,1271 1.317,1272 1.376,1273 0.365,1274 1.398,1275 0.947,1276 0.847,1277 1.243,1278 1.278,1279 0.252,1280 1.28,1281 0.886,1282 0.821,1283 1.181,1284 1.106,1285 0.218,1286 1.128,1287 4.043,1289 5.361,1290 2.398,1291 6.882,1292 4.727,1293 8.494,1294 6.862,1295 10.154,1299 13.305,1301 5.79,1303 3.986,1305 3.377,1308 0.342,1314 28.199,1315 68.936,1316 164.915,1317 202.605,1318 210.215,1319 210.215,1320 210.215,1321 36.452,1322 7.245,1323 81.65,1324 81.65,1325 23,1326 12.57,1327 4.17,1328 3.248,1329 35.486,1330 73,1331 91,1332 0.227,1333 172.404,1334 288.77,1335 412.425,1336 11732,1337 2.3,1338 17.225,1339 0.689,1340 0.548,1341 16.355,1342 13.691,1343 12.22,1344 0.436,1345 0.298,1346 8.215,1347 11.698,1348 8.105,1349 6.676,1350 11.826,1351 8.345,1352 10.932,1353 0.28,1354 0.157,1355 10.31,1356 6.137,1357 9.265,1358 0.175,1359 0.085,1360 8.854,1361 4.53,1362 7.993,1363 0.109,1364 0.045,1365 7.842,1366 3.301,1367 6.677,1368 0.07,1369 0.024,1370 6.448,1371 2.326,1372 0.34,1373 76.831,1374 0.228,1375 23.661,1376 0.68,1377 134,1378 414.337,1379 148.71,1380 381.654,1381 524.82,1382 358,1383 159,1384 393.573,1385 173.289,1386 392.54,1387 576.65,1388 371,1389 5.5}
{0 CHEMBL278041,1 1.58,2 9.16,3 4.187,4 17.527,5 93.158,6 8.497,7 0.821,8 3.793,9 3.892,10 3.47,11 3.418,12 5.047,13 3.416,14 4.233,15 4.354,16 3.825,17 3.783,18 5.498,19 3.769,20 4.469,21 4.641,22 3.834,23 3.853,24 5.686,25 3.817,26 4.469,27 4.667,28 3.758,29 3.797,30 5.606,31 3.755,32 4.441,33 4.651,34 3.757,35 3.818,36 5.496,37 3.768,38 4.394,39 4.568,40 3.776,41 3.841,42 5.609,43 3.782,44 4.432,45 4.607,46 3.713,47 3.845,48 5.621,49 3.768,50 4.486,51 4.72,52 3.503,53 3.718,54 5.586,55 3.604,56 0.063,57 0.605,58 5.82,59 3.203,60 9.196,61 3.519,62 0.097,63 0.963,64 9.518,65 5.109,66 10.667,67 5.835,68 0.231,69 1.2,70 15.399,71 6.858,72 35.399,73 7.893,74 0.284,75 1.193,76 16.451,77 6.485,78 38.946,79 7.622,80 0.248,81 1.127,82 16.154,83 6.323,84 27.589,85 8.008,86 0.302,87 1.097,88 13.838,89 6.402,90 31.866,91 8.047,92 0.196,93 1.122,94 14.591,95 7.218,96 24.109,97 8.907,98 0.201,99 1.15,100 18.786,101 8.18,102 30.925,103 10.643,104 5,105 39,106 0.275,107 0.541,108 0.692,109 0.796,110 0.813,111 0.813,112 3.268,113 0.832,114 -4.77,115 -4.68,116 -4.4,119 51.3,142 10,143 3,144 2,145 2,146 1,152 1,161 1,172 10,175 4,178 1,180 4,183 9,188 6,193 7,196 5,200 6,205 5,208 6,216 1,218 2,221 14,224 1,225 1,228 1,229 1,233 18,238 3,246 12,250 4,255 2,258 4,264 2,269 4,276 925,277 17.154,278 17.154,279 17.154,280 17.154,281 17.154,282 14.445,283 3.784,284 10.202,285 17.429,286 13.846,287 13.846,288 13.846,289 13.846,290 13.846,291 9.895,292 1.825,293 4.905,294 14.339,295 3.705,296 2.179,297 1.313,298 0.718,299 0.615,300 0.615,301 3.967,305 1,306 1,307 501,308 2,311 66.493,312 238.298,319 1.299,320 24.666,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 54,332 229,333 4.567,334 3.208,335 6.747,336 4.171,337 3.203,338 4.3,340 11.08,341 3.103,342 4.119,343 2.899,344 6.079,345 3.728,346 2.744,347 3.726,349 8.826,350 2.698,351 3.976,352 2.771,353 5.772,354 3.554,355 2.573,356 3.568,358 7.837,359 2.525,360 3.723,361 2.479,362 5.077,363 3.265,364 2.312,365 3.238,367 6.17,368 2.193,369 3.55,370 2.423,371 5.02,372 3.139,373 2.192,374 2.906,376 5.992,377 2.062,378 3.201,379 1.832,380 4.657,381 2.716,382 1.764,383 2.485,385 4.826,386 1.671,387 2.872,388 1.445,389 4.175,390 2.353,391 1.414,392 2.038,394 3.52,395 1.323,396 2.5,397 1.118,398 3.91,399 2,400 1.04,401 1.5,403 2.901,404 1,405 2.5,406 1,407 3.457,408 2,409 1,410 1.5,412 2.275,413 1,414 2.5,415 1,416 3.414,417 1.993,418 1,419 1.5,421 2.275,422 0.986,423 2.5,424 1,425 3.414,426 1.984,427 1,428 1.5,430 2.202,431 0.983,432 2.277,433 0.815,434 3.247,435 1.718,436 0.795,437 1.171,439 2.136,440 0.732,441 1.155,442 0.311,443 2.607,444 0.765,445 -0.16,446 -0.199,448 -0.356,449 -0.144,450 1.099,451 0.088,452 2.546,453 0.691,454 -0.232,455 -0.293,457 -0.521,458 -0.21,459 0.755,460 -0.605,461 2.223,462 0.31,463 -0.65,464 -0.865,466 -1.517,467 -0.62,468 11.819,469 0.473,470 0.554,471 0.022,472 38.5,473 1.54,474 22.5,475 0.9,476 16,477 0.64,478 14.937,479 0.597,480 24.781,481 0.635,482 27.513,483 1.101,484 7.858,485 0.314,486 4.345,487 0.174,488 0.052,490 0.338,494 1,496 0.736,497 0.924,498 0.679,499 0.825,500 0.699,501 0.759,502 0.673,503 1.05,504 0.787,505 1.035,506 0.592,507 0.959,508 1.038,509 1.106,510 1.012,511 1.048,512 0.977,513 1.029,514 1.018,515 1.001,516 1.066,517 0.935,518 0.875,519 0.977,520 0.618,521 0.712,522 0.871,523 0.761,524 0.403,525 0.822,526 0.429,527 0.731,528 0.897,529 0.952,530 0.447,531 1.014,532 0.621,533 0.948,534 1.01,535 1.191,536 0.731,537 1.202,538 0.712,539 1.063,540 1.023,541 1.214,542 0.787,543 1.204,544 4.5,545 0.07,546 2.889,547 1.16,548 1.386,549 1.077,550 0.375,551 0.28,552 0.294,553 0.195,554 6899,555 21419,556 2.154,557 35.9,559 10,561 2,562 2,567 1.687,568 2.055,569 3.168,570 0.233,572 1,577 61.634,578 1.58,579 3.106,580 3.972,581 4.567,582 4.67,583 4.67,584 2.623,585 4.084,586 4.611,587 3.305,588 991.396,589 8.015,590 11822,592 1,593 1,594 1,595 206.131,596 1.26,597 4.592,598 0.161,599 0.008,600 0.074,601 0.031,602 0.04,603 0.03,604 0.01,605 0.008,606 0.012,607 0.011,608 0.385,609 0.33,610 1,611 0.477,612 118.685,613 -0.084,614 -0.021,615 0.01,616 0.063,617 -0.111,618 0.058,619 -0.009,620 -0.119,621 -0.049,622 -0.14,623 0.011,624 -0.115,625 -0.123,626 -0.132,627 -0.109,628 -0.101,629 -0.077,630 -0.102,631 -0.166,632 -0.05,633 -0.127,634 -0.012,635 -0.129,636 -0.044,637 -0.048,638 0.134,639 0.047,640 0.158,641 0.005,642 0.142,643 0.203,644 0.144,645 -0.038,646 -0.01,647 0.125,648 -0.068,649 0.071,650 -0.08,651 -0.12,652 -0.204,653 -0.015,654 -0.211,655 0.039,656 -0.19,657 0.025,658 -0.175,659 0.01,660 -0.105,661 1.955,662 5.274,663 0.92,664 21.28,665 1.011,666 1.116,667 3.541,668 12.537,669 0.717,670 3.367,671 3.689,672 3.97,673 4.248,674 4.533,675 4.644,676 4.779,677 4.934,678 5.069,679 5.043,680 5.563,681 0.701,682 331.37,683 3.367,684 4.905,685 5.759,686 6.637,687 7.515,688 8.404,689 9.293,690 10.188,691 11.083,692 11.983,693 7.7,701 1,703 2,709 12,710 2,711 1,714 8,716 23,732 1,734 1,735 39,737 23,738 2,739 28,741 42,742 20,743 20,744 4,745 8,748 4,749 4,762 20,780 1,781 1,783 14,784 4,785 2,786 5,789 1,792 3,797 1,798 1,809 1,815 1,816 3,843 4,849 1,851 25,857 1,873 1,874 2.6,876 1,881 12.167,882 6.993,883 5.444,884 2.194,886 3.35,887 1.462,888 1.024,889 3.945,890 10.595,891 3.701,892 4.341,893 4.964,894 5.583,895 6.164,896 6.506,897 6.979,898 7.462,899 7.93,900 8.255,901 1,902 38,903 9.185,905 3.969,906 7.893,907 17.231,909 14.158,911 2.393,912 59.833,916 141.253,917 139.376,918 50.357,920 42.683,921 14.96,923 139.376,924 183.937,925 65.317,928 94.762,929 102.125,930 56.315,931 17.717,932 117.711,934 141.253,935 189.733,936 57.643,939 156.213,940 42.683,943 39.965,944 116.197,945 33.571,947 156.213,948 93.04,949 139.376,952 141.253,953 26.519,954 112.857,955 16.786,956 91.215,957 141.253,958 108,959 139.376,961 0.58,962 0.333,963 0.179,964 0.109,965 20,966 8,967 0.071,968 3,970 1,971 3.72,972 214.737,974 23,975 104.096,981 15.401,982 6.404,983 3.112,985 91.215,986 20.258,987 8.754,988 3.333,991 4.743,993 59.469,994 388.63,995 39.5,1007 39.447,1008 43.535,1009 0.299,1010 0.588,1011 0.752,1012 0.864,1013 0.884,1014 0.884,1015 4.911,1016 1.04,1017 5.733,1018 3.52,1019 4.369,1020 5.027,1022 6.535,1023 4.302,1024 6.128,1025 1,1026 7.281,1027 2.901,1028 3.892,1029 4.691,1031 7.413,1032 3.776,1033 7.43,1034 1,1035 8.93,1036 2.275,1037 5.948,1038 7.239,1040 10.53,1041 5.827,1042 8.769,1043 1,1044 10.641,1045 2.275,1046 6.312,1047 7.743,1049 12.285,1050 6.146,1051 10.14,1052 0.795,1053 12.392,1054 2.202,1055 7.818,1056 9.71,1058 14.917,1059 7.644,1060 11.534,1061 -0.16,1062 14.173,1063 2.136,1064 8.577,1065 10.631,1067 17.035,1068 8.362,1069 12.946,1070 -0.232,1071 15.976,1072 -0.356,1073 9.858,1074 12.329,1076 19.507,1077 9.629,1078 3.203,1079 -0.65,1080 17.796,1081 -0.521,1082 10.814,1083 13.48,1085 21.783,1086 10.546,1087 2.744,1088 11.08,1089 19.63,1090 -1.517,1091 12.004,1092 15.044,1094 24.201,1095 11.714,1096 2.573,1097 8.826,1098 21.474,1099 4.3,1100 13.058,1101 16.325,1103 26.546,1104 12.731,1105 2.312,1106 7.837,1107 23.327,1108 3.726,1109 14.214,1110 17.823,1112 28.949,1113 13.862,1114 2.192,1115 6.17,1116 25.188,1117 3.568,1118 15.318,1119 19.179,1121 31.324,1122 14.929,1123 1.764,1124 5.992,1125 27.054,1126 3.238,1127 16.466,1128 20.646,1130 33.723,1131 16.048,1132 1.414,1133 4.826,1134 28.926,1135 2.906,1136 17.594,1137 22.043,1139 36.113,1140 17.141,1141 6547,1142 11639,1143 19.186,1144 27.978,1145 42.715,1146 42.412,1147 43.082,1148 42.187,1149 42.072,1150 58.864,1152 120.077,1153 40.549,1154 5.262,1155 5.208,1156 6.549,1157 5.206,1158 5.203,1159 7.3,1161 18.235,1162 5.103,1163 9.29,1164 1.526,1165 1.515,1166 1.539,1167 1.507,1168 1.503,1169 2.102,1171 4.288,1172 1.448,1173 4.088,1174 4.124,1175 4.056,1176 3.986,1177 8.201,1178 3.998,1179 3.872,1180 3.895,1181 3.818,1182 3.809,1183 6.471,1184 3.807,1185 3.829,1186 3.865,1187 3.772,1188 3.74,1189 5.028,1190 3.743,1191 3.595,1192 3.65,1193 3.545,1194 3.413,1195 4.835,1196 3.441,1197 2.964,1198 2.987,1199 2.918,1200 2.822,1201 4.601,1202 2.837,1203 2.854,1204 2.925,1205 2.768,1206 2.735,1207 4.461,1208 2.715,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.777,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.674,1220 2.715,1221 0.163,1222 0.115,1223 0.241,1224 0.149,1225 0.114,1226 4.567,1227 0.154,1228 3.208,1230 6.747,1231 0.396,1232 4.171,1233 0.111,1234 3.203,1235 4.3,1237 11.08,1238 3.103,1239 1.926,1240 1.902,1241 2.012,1242 2.02,1243 1.119,1244 2.019,1245 1.9,1246 1.877,1247 1.997,1248 1.996,1249 1.081,1250 1.997,1251 1.811,1252 1.779,1253 1.921,1254 1.923,1255 0.97,1256 1.925,1257 1.3,1258 1.242,1259 1.423,1260 1.563,1261 0.466,1262 1.528,1263 1.217,1264 1.181,1265 1.274,1266 1.391,1267 0.33,1268 1.357,1269 0.886,1270 0.821,1271 1.181,1272 1.062,1273 0.218,1274 1.107,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.043,1289 5.361,1290 2.398,1291 6.876,1292 4.727,1293 8.474,1294 6.862,1295 10.115,1299 13.274,1302 9.472,1314 27.323,1315 61.634,1316 121.137,1317 154.911,1318 178.131,1319 182.131,1320 182.131,1321 36.524,1322 7.245,1323 61.8,1324 61.8,1325 23,1326 12.507,1327 4.585,1328 3.644,1329 35.604,1330 81,1331 91,1332 0.214,1333 166.42,1334 280.34,1335 397.824,1336 11732,1337 2.6,1338 17.225,1339 0.689,1340 0.526,1341 16.355,1342 13.148,1343 12.204,1344 0.436,1345 0.277,1346 7.673,1347 11.82,1348 7.539,1349 6.24,1350 11.81,1351 7.763,1352 10.997,1353 0.282,1354 0.144,1355 10.375,1356 5.599,1357 9.348,1358 0.18,1359 0.076,1360 8.938,1361 3.931,1362 7.648,1363 0.111,1364 0.039,1365 7.496,1366 2.673,1367 6.576,1368 0.071,1369 0.02,1370 6.346,1371 1.857,1372 0.326,1373 75.981,1374 0.228,1375 23.908,1376 0.624,1377 134,1378 431.884,1379 145.485,1380 402.495,1381 550.06,1382 376,1383 158,1384 407.547,1385 168.927,1386 410.619,1387 598.6,1388 388,1389 5.3}
{0 CHEMBL288441,1 1.692,2 14.556,3 4.883,4 23.847,5 142.137,6 8.162,7 0.436,8 4.273,9 4.384,10 3.916,11 3.784,12 5.376,13 3.77,14 4.831,15 5.013,16 4.276,17 4.168,18 5.83,19 4.139,20 5.047,21 5.227,22 4.462,23 4.366,24 6.1,25 4.306,26 5.171,27 5.39,28 4.438,29 4.411,30 6.182,31 4.3,32 5.173,33 5.417,34 4.323,35 4.353,36 6.121,37 4.252,38 5.067,39 5.27,40 4.381,41 4.327,42 6.127,43 4.251,44 5.082,45 5.292,46 4.382,47 4.291,48 6.218,49 4.216,50 4.969,51 5.165,52 4.319,53 4.22,54 6.095,55 4.143,56 0.069,57 0.928,58 12.114,59 5.76,60 11.444,61 7.328,62 0.459,63 1.455,64 27.478,65 9.309,66 28.265,67 11.987,68 0.67,69 1.759,70 37.048,71 12.412,72 44.354,73 16.176,74 0.747,75 1.885,76 48.447,77 15.391,78 65.448,79 20.506,80 0.786,81 1.823,82 47.666,83 15.1,84 61.843,85 20.601,86 0.545,87 1.697,88 38.227,89 13.209,90 51.397,91 17.233,92 0.835,93 1.649,94 44.73,95 12.79,96 81.487,97 16.75,98 0.591,99 1.526,100 34.875,101 12.092,102 61.341,103 15.781,104 46,105 54,106 0.269,107 0.578,108 0.758,109 0.819,110 0.844,111 0.858,112 3.616,113 0.956,114 -2.61,115 -2.63,116 -2.56,119 40,121 1,124 3,125 6,142 4,143 2,144 7,145 1,146 1,158 1,172 1,175 9,180 3,183 4,187 2,188 6,193 3,196 5,199 3,200 2,203 3,205 1,208 5,212 1,213 5,216 1,218 1,221 6,225 8,228 1,233 4,237 3,238 7,246 4,249 4,250 5,255 1,258 2,263 1,264 5,272 1,276 2640,277 24.488,278 24.488,279 24.488,280 24.488,281 24.488,282 22.307,283 34.549,284 14.273,285 25.536,286 19.034,287 19.034,288 19.034,289 19.034,290 19.034,291 15.477,292 46.674,293 6.518,294 20.636,295 4.33,296 2.381,297 1.254,298 0.866,299 0.712,300 0.619,301 4.31,302 2,306 1,307 1115,308 3.742,312 447.348,316 171.585,319 2.469,320 35.703,323 0.75,324 0.83,325 0.67,326 0.9,327 0.5,328 0.83,329 1,330 0.78,331 78.167,332 524,333 4.641,334 4.073,335 6.744,336 4.181,337 3.209,338 4.576,339 2.035,340 11.06,341 3.122,342 4.356,343 3.389,344 6.254,345 3.898,346 2.975,347 4.047,348 0.86,349 9.396,350 2.714,351 4.121,352 3.291,353 6.128,354 3.692,355 2.75,356 3.649,357 0.86,358 8.973,359 2.58,360 3.712,361 3.03,362 5.738,363 3.539,364 2.618,365 3.095,366 0.86,367 7.555,368 2.409,369 3.696,370 2.944,371 5.593,372 3.271,373 2.381,374 3.022,375 0.8,376 7.155,377 2.127,378 3.618,379 2.869,380 5.412,381 3.159,382 2.199,383 2.643,384 0.8,385 7.12,386 2.046,387 3.356,388 2.49,389 4.889,390 3.027,391 2.116,392 2.617,393 0.4,394 5.696,395 1.928,396 3.12,397 2.318,398 4.869,399 2.826,400 1.885,401 2.239,403 5.397,404 1.766,405 3.058,406 2.29,407 4.569,408 2.606,409 1.711,410 2.118,412 4.732,413 1.479,414 2.992,415 2.215,416 4.338,417 2.475,418 1.56,419 1.821,421 3.968,422 1.405,423 2.748,424 1.905,425 3.731,426 2.195,427 1.257,428 1.407,430 2.927,431 1.166,432 2.414,433 1.642,434 3.54,435 1.967,436 1,437 1.289,439 2.275,440 0.965,441 2.058,442 1.476,443 3.414,444 1.779,445 0.954,446 1,448 2.202,449 0.751,450 2,451 1.146,452 3.306,453 1.595,454 0.711,455 0.968,457 1.396,458 0.6,459 1.819,460 1.023,461 3.093,462 1.518,463 0.612,464 0.72,466 1.318,467 0.545,468 17.429,469 0.484,470 0.831,471 0.023,472 45.25,473 1.257,474 21,475 0.583,476 24.25,477 0.674,478 35.284,479 0.98,480 39.571,481 0.609,482 37.538,483 1.043,484 8.985,485 0.25,486 8.441,487 0.234,488 0.191,490 0.333,496 0.833,497 1.513,498 0.608,499 1.108,500 0.563,501 0.979,502 1.305,503 0.972,504 0.709,505 0.683,506 0.682,507 0.71,508 0.971,509 1.108,510 0.882,511 0.996,512 0.662,513 0.976,514 0.764,515 0.99,516 0.836,517 1.008,518 0.734,519 1.026,520 0.794,521 0.859,522 0.739,523 0.856,524 0.746,525 0.836,526 1.09,527 1.073,528 0.804,529 0.917,530 0.966,531 0.913,532 1.22,533 0.902,534 1.054,535 0.911,536 1.181,537 0.895,538 0.897,539 1.096,540 0.821,541 1.053,542 0.848,543 1.018,544 7.5,545 0.264,546 4.444,547 2.125,548 2.596,549 1.278,550 0.973,551 0.833,552 0.537,553 0.341,554 19781,555 56853,556 2.04,557 44.6,559 25,561 1,562 1,565 2,567 1.775,568 1.895,569 3.765,570 -0.327,577 109.996,578 1.692,579 3.641,580 4.769,581 5.157,582 5.311,583 5.403,584 3.288,585 4.705,586 5.133,587 3.976,588 2504.59,589 9.031,590 40531.6,595 391.454,596 1.459,597 5.092,598 0.192,599 0.008,600 0.082,601 0.035,602 0.048,603 0.024,604 0.018,605 0.016,606 0.011,607 0.008,608 0.443,609 0.33,610 0.88,611 0.873,612 197.773,613 -0.041,614 -0.293,615 0.032,616 -0.131,617 0.044,618 -0.042,619 -0.217,620 0.142,621 0.06,622 0.244,623 -0.008,624 0.206,625 0.026,626 -0.025,627 0.003,628 -0.025,629 0.1,630 -0.026,631 0.115,632 0.004,633 0.077,634 -0.018,635 0.121,636 -0.03,637 0.099,638 0.086,639 0.134,640 0.12,641 0.097,642 0.17,643 -0.072,644 -0.066,645 0.067,646 0.059,647 0.025,648 0.059,649 -0.039,650 0.096,651 -0.005,652 0.066,653 0.064,654 0.063,655 0.126,656 -0.083,657 0.073,658 -0.072,659 0.19,660 -0.046,661 1.31,662 3.745,663 0.611,664 47.741,665 1.01,666 1.129,667 1.375,668 1.892,669 0.677,670 3.689,671 4.007,672 4.29,673 4.533,674 4.82,675 4.913,676 5.011,677 5.165,678 5.298,679 5.328,680 8.319,681 0.642,682 530.5,683 3.689,684 5.231,685 6.084,686 6.961,687 7.836,688 8.719,689 9.602,690 10.491,691 11.379,692 12.271,693 7.7,696 2,701 1,702 1,703 1,708 2,709 5,710 1,714 8,716 17,718 1,728 1,733 3,734 2,735 65,737 18,738 2,739 39,741 68,742 26,743 15,744 8,745 4,748 4,749 5,750 2,760 1,761 1,762 15,763 10,783 29,784 8,785 1,786 10,787 2,792 5,797 0.75,798 3,809 1,816 4,820 1,839 2,843 3,847 3,848 2,851 36,858 7,860 1,861 3,864 2,866 1,870 1,872 1,873 2,874 4.6,879 3,881 19,882 12.752,883 8.167,884 3.792,886 3.505,887 1.428,888 0.963,889 9.127,890 11.694,891 3.922,892 4.5,893 5.107,894 5.692,895 6.322,896 6.711,897 7.12,898 7.564,899 7.999,900 8.189,901 0.9,902 60,903 13.269,905 5.517,906 7.719,907 25.373,909 20.365,911 2.219,912 79.889,916 329.591,917 147.52,918 72.104,919 78.297,920 33,923 147.52,924 440.888,925 72.104,926 30.162,927 17.655,928 37.905,929 45.158,930 133.513,932 317.82,933 78.297,934 329.591,935 219.624,936 33,937 78.297,939 306.049,940 56.542,943 84.166,944 118.673,945 95.083,947 329.591,948 105.104,949 225.817,952 329.591,953 53.803,954 83.364,955 34.612,956 159.142,957 329.591,958 105.104,959 225.817,961 0.575,962 0.349,963 0.186,964 0.107,965 24,966 12,967 0.132,968 9,969 1,970 1.091,971 4.563,972 340.42,973 0.091,974 22,975 182.117,981 26.743,982 12.286,983 6.345,984 1.351,985 105.104,986 8.458,987 4.48,991 3.866,993 18.011,994 660.512,995 49.5,1007 65.625,1008 73.405,1009 0.281,1010 0.605,1011 0.792,1012 0.856,1013 0.882,1014 0.897,1015 5.178,1016 1.885,1017 6.071,1018 5.696,1019 4.691,1020 5.187,1021 2.77,1022 6.884,1023 4.539,1024 6.384,1025 1.711,1026 7.636,1027 5.397,1028 4.29,1029 5.085,1030 0.57,1031 7.796,1032 4.046,1033 7.699,1034 1.56,1035 9.298,1036 4.732,1037 6.293,1038 7.42,1039 3.677,1040 10.882,1041 6.03,1042 9.048,1043 1.257,1044 11.017,1045 3.968,1046 6.698,1047 8.155,1048 0.479,1049 12.597,1050 6.355,1051 10.43,1052 1,1053 12.771,1054 2.927,1055 8.165,1056 9.985,1057 4.983,1058 15.213,1059 7.807,1060 11.835,1061 0.954,1062 14.549,1063 2.275,1064 8.945,1065 11.11,1066 0.346,1067 17.281,1068 8.527,1069 13.258,1070 0.711,1071 16.346,1072 2.202,1073 10.201,1074 12.743,1075 6.381,1076 19.737,1077 9.765,1078 3.209,1079 0.612,1080 18.156,1081 1.396,1082 11.164,1083 14.059,1084 0.237,1085 21.97,1086 10.684,1087 2.975,1088 11.06,1089 19.977,1090 1.318,1091 12.337,1092 15.61,1093 7.798,1094 24.37,1095 11.836,1096 2.75,1097 9.396,1098 21.808,1099 4.576,1100 13.388,1101 17.02,1102 0.158,1103 26.683,1104 12.855,1105 2.618,1106 8.973,1107 23.646,1108 4.047,1109 14.531,1110 18.539,1111 9.218,1112 29.067,1113 13.978,1114 2.381,1115 7.555,1116 25.491,1117 3.649,1118 15.627,1119 19.997,1120 0.104,1121 31.419,1122 15.048,1123 2.199,1124 7.155,1125 27.343,1126 3.095,1127 16.762,1128 21.506,1129 10.638,1130 33.803,1131 16.164,1132 2.116,1133 7.12,1134 29.199,1135 3.022,1136 17.88,1137 22.988,1138 0.068,1139 36.175,1140 17.26,1141 19083,1142 32774,1143 25.66,1144 44.006,1145 58.42,1146 61.514,1147 60.367,1148 57.342,1149 57.166,1150 71.872,1151 13.229,1152 164.588,1153 52.328,1154 5.641,1155 6.073,1156 6.424,1157 5.25,1158 5.209,1159 7.576,1160 4.069,1161 18.287,1162 5.122,1163 20.414,1164 1.498,1165 1.577,1166 1.548,1167 1.47,1168 1.466,1169 1.843,1170 0.339,1171 4.22,1172 1.342,1173 4.102,1174 4.123,1175 4.131,1176 4.02,1177 6.82,1178 4.031,1179 3.898,1180 3.936,1181 4.026,1182 3.838,1183 5.075,1184 3.835,1185 3.858,1186 3.906,1187 3.736,1188 3.656,1189 4.997,1190 3.665,1191 3.62,1192 3.661,1193 3.611,1194 3.468,1195 4.688,1196 3.486,1197 3.502,1198 3.556,1199 3.555,1200 3.343,1201 4.656,1202 3.337,1203 3.268,1204 3.326,1205 3.363,1206 3.012,1207 4.493,1208 3.026,1209 3.236,1210 3.303,1211 3.212,1212 2.977,1213 4.474,1214 2.998,1215 3.19,1216 3.282,1217 3.119,1218 2.941,1219 4.387,1220 2.94,1221 0.119,1222 0.104,1223 0.173,1224 0.107,1225 0.082,1226 4.641,1227 0.117,1228 4.073,1229 0.052,1230 6.744,1231 0.284,1232 4.181,1233 0.08,1234 3.209,1235 4.576,1236 2.035,1237 11.06,1238 3.122,1239 2.038,1240 2.021,1241 2.082,1242 2.134,1243 1.336,1244 2.12,1245 1.853,1246 1.844,1247 2.014,1248 2.03,1249 1.233,1250 2.032,1251 1.799,1252 1.726,1253 1.889,1254 1.939,1255 1.12,1256 1.936,1257 1.571,1258 1.529,1259 1.818,1260 1.782,1261 1.045,1262 1.794,1263 1.476,1264 1.427,1265 1.626,1266 1.659,1267 0.825,1268 1.649,1269 1.198,1270 1.131,1271 1.561,1272 1.51,1273 0.671,1274 1.527,1275 1.181,1276 1.108,1277 1.542,1278 1.481,1279 0.641,1280 1.501,1281 1.162,1282 1.064,1283 1.513,1284 1.429,1285 0.572,1286 1.455,1287 4.369,1289 5.687,1291 7.209,1293 8.828,1295 10.5,1297 5.273,1298 12.604,1303 6.832,1305 3.261,1306 17.025,1309 4.805,1312 9.745,1313 2.19,1314 41.755,1315 109.996,1316 236.683,1317 309.97,1318 335.189,1319 345.189,1320 351.189,1321 72.029,1322 8.188,1323 82.88,1324 82.88,1325 24,1326 12.799,1327 4.248,1328 3.524,1329 62.202,1330 176,1331 220,1332 0.169,1333 263.95,1334 461.61,1335 635.797,1336 45361,1337 3.1,1338 25.656,1339 0.713,1340 0.614,1341 26.656,1342 22.118,1343 17.427,1344 0.447,1345 0.319,1346 11.512,1347 16.021,1348 11.105,1349 9.192,1350 18.004,1351 12.433,1352 15.234,1353 0.282,1354 0.175,1355 15.975,1356 9.432,1357 13.196,1358 0.183,1359 0.095,1360 13.903,1361 6.855,1362 10.596,1363 0.115,1364 0.051,1365 11.348,1366 4.657,1367 8.905,1368 0.072,1369 0.027,1370 9.35,1371 3.275,1372 0.269,1373 116.575,1374 0.197,1375 33.236,1376 0.455,1377 186,1378 582.527,1379 234.637,1380 613.408,1381 812.98,1382 574,1383 219,1384 540.271,1385 263.019,1386 569.569,1387 830.61,1388 530,1389 6.432}
{0 CHEMBL296468,1 1.706,2 11.8,3 2.284,4 5.216,5 101.699,6 7.767,7 0.37,8 3.979,9 4.1,10 3.665,11 3.55,12 4.99,13 3.47,14 4.551,15 4.736,16 4.127,17 3.973,18 5.51,19 3.851,20 4.782,21 4.99,22 3.999,23 4.025,24 5.719,25 3.878,26 4.895,27 5.161,28 3.92,29 3.959,30 5.827,31 3.792,32 4.614,33 4.87,34 3.825,35 3.766,36 5.612,37 3.614,38 4.288,39 4.455,40 3.875,41 3.739,42 5.319,43 3.56,44 4.388,45 4.617,46 3.622,47 3.732,48 5.218,49 3.493,50 4.129,51 4.299,52 3.55,53 3.559,54 5.096,55 3.378,56 0.023,57 0.759,58 11.51,59 5.054,60 7.549,61 6.286,62 0.278,63 1.247,64 28.591,65 9.346,66 26.577,67 11.26,68 0.297,69 1.401,70 33.279,71 10.879,72 34.528,73 13.753,74 0.565,75 1.39,76 39.808,77 11.762,78 59.771,79 14.875,80 0.453,81 1.155,82 31.374,83 8.604,84 47.285,85 10.791,86 0.28,87 0.985,88 24.271,89 7.881,90 25.889,91 8.452,92 0.298,93 1.03,94 34.79,95 10.196,96 21.236,97 10.966,98 0.13,99 0.81,100 20.114,101 6.957,102 17.688,103 7.67,104 18,105 38,106 0.292,107 0.602,108 0.762,109 0.769,110 0.769,111 0.769,112 3.266,113 1.141,114 -3.55,115 -3.52,116 -3.36,119 34.7,120 3,121 2,122 1,123 1,125 3,145 2,152 1,153 1,158 1,161 1,162 1,172 5,174 1,175 3,178 2,180 4,183 5,188 9,193 3,199 1,200 5,205 1,208 1,213 4,216 1,217 1,221 3,224 2,225 1,233 4,241 3,243 1,246 3,250 1,258 3,263 2,264 5,269 2,276 932,277 16.419,278 16.419,279 16.419,280 16.419,281 16.419,282 15.14,283 26.932,284 9.68,285 17.048,286 13.351,287 13.351,288 13.351,289 13.351,290 13.351,291 11.287,292 36.798,293 4.651,294 14.413,295 3.909,296 2.106,297 1.169,298 1.128,299 1.128,300 1.128,301 3.941,304 1,305 1,306 1,307 625,308 3.808,311 156.977,312 94.674,319 2,320 23.413,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 54,332 295,333 4.469,334 4.438,335 7.118,336 4.324,337 3.327,338 3.913,339 3.272,340 11.698,341 3.319,342 4.158,343 3.714,344 6.056,345 3.826,346 2.864,347 3.744,348 1.907,349 8.732,350 2.803,351 3.901,352 3.55,353 5.63,354 3.537,355 2.662,356 3.093,357 0.4,358 7.783,359 2.377,360 3.764,361 3.025,362 5.4,363 3.41,364 2.465,365 3.018,366 0.149,367 7.151,368 2.214,369 3.209,370 2.474,371 4.909,372 2.885,373 1.995,374 2.362,376 5.721,377 1.779,378 2.876,379 2.279,380 4.427,381 2.595,382 1.672,383 1.879,385 4.185,386 1.505,387 2.727,388 2.14,389 4.159,390 2.39,391 1.423,392 1.782,394 3.835,395 1.365,396 2.242,397 1.609,398 3.45,399 1.995,400 1.036,401 1.167,403 2.476,404 0.983,405 2.17,406 1.358,407 3.302,408 1.984,409 1,410 1.043,412 2.136,413 0.98,414 2.159,415 1.077,416 3.273,417 1.65,418 0.756,419 1.014,421 1.811,422 0.666,423 2,424 0.946,425 3.247,426 1.604,427 0.692,428 1,430 1.686,431 0.625,432 1.691,433 0.695,434 3.103,435 1.255,436 0.447,437 0.545,439 1.109,440 0.352,441 0.997,442 0.454,443 2.645,444 0.58,445 -0.353,446 -0.42,448 -0.95,449 -0.318,450 0.447,451 0.164,452 2.528,453 0.262,454 -0.75,455 -0.824,457 -1.619,458 -0.688,459 0.372,460 -0.323,461 2.123,462 0.108,463 -0.805,464 -0.972,466 -2.339,467 -0.78,468 12.433,469 0.497,470 0.757,471 0.03,472 26.75,473 1.07,474 10.5,475 0.42,476 16.25,477 0.65,478 26.424,479 1.057,480 28.367,481 0.579,482 15.677,483 0.627,484 4.316,485 0.173,486 7.599,487 0.304,488 0.147,489 0.04,490 0.241,496 0.826,497 1.328,498 0.768,499 0.982,500 0.633,501 1.001,502 0.701,503 1.057,504 0.796,505 0.945,506 0.553,507 0.906,508 1.139,509 1.232,510 1.001,511 1.159,512 1.094,513 1.179,514 1.356,515 0.855,516 0.806,517 0.76,518 1.358,519 0.808,520 1.229,521 0.814,522 0.973,523 0.834,524 1.538,525 0.797,526 1.19,527 1.113,528 1.51,529 1.302,530 1.169,531 1.121,532 0.535,533 1.121,534 1.958,535 1.724,536 0.462,537 1.129,538 1.131,539 1.318,540 1.527,541 1.428,542 1.198,543 1.238,544 6.5,545 0.09,546 2.667,547 1.507,548 1.296,549 0.511,550 0.375,551 0.293,552 0.185,553 0.2,554 8015,555 19920,556 2.028,557 49,558 9,559 6,561 2,562 2,563 1,564 4,567 1.672,568 1.887,569 3.515,570 0.352,571 1,572 1,577 83.595,578 1.706,579 3.509,580 4.446,581 4.486,582 4.486,583 4.486,584 2.953,585 4.134,586 4.617,587 3.731,588 1119.21,589 7.942,590 14422.1,592 1,594 1,595 275.121,596 1.571,597 4.56,598 0.241,599 0.006,600 0.07,601 0.047,602 0.045,603 0.02,604 0.015,605 0.013,606 0.009,607 0.011,608 0.477,609 0.33,610 1,611 0.795,612 124.003,613 -0.047,614 -0.12,615 0.077,616 0.031,617 -0.025,618 0.02,619 0.184,620 0.059,621 0.209,622 0.107,623 0.134,624 0.101,625 -0.083,626 -0.227,627 -0.066,628 -0.185,629 -0.089,630 -0.198,631 -0.067,632 0.013,633 0.123,634 0.137,635 -0.038,636 0.135,637 -0.041,638 0.192,639 0.084,640 0.138,641 -0.063,642 0.139,643 -0.078,644 0.123,645 -0.07,646 0.039,647 -0.112,648 -0.088,649 0.13,650 0.03,651 -0.26,652 -0.191,653 0.062,654 -0.007,655 -0.183,656 -0.162,657 -0.2,658 -0.128,659 -0.136,660 -0.177,661 1.588,662 5.249,663 0.64,664 24.531,665 1.001,666 1.131,667 2.316,668 5.362,669 0.67,670 3.332,671 3.664,672 3.829,673 4.007,674 4.078,675 4.078,676 4.078,677 4.174,678 4.248,679 4.317,680 7.128,681 0.615,682 380.59,683 3.332,684 4.875,685 5.694,686 6.561,687 7.397,688 8.262,689 9.104,690 9.968,691 10.814,692 11.676,693 8.2,695 1,700 1,703 2,709 2,710 2,712 1,713 1,714 4,716 10,735 49,737 11,739 27,741 51,742 17,743 6,748 3,749 3,754 3,755 1,757 2,758 1,760 2,762 7,763 10,764 1,767 1,772 1,776 1,779 1,780 1,783 24,784 6,785 2,786 8,787 2,792 4,797 1,798 2,802 1,815 2,816 1,829 1,838 1,843 3,844 1,845 2,847 3,851 25,858 5,860 2,862 1,863 1,865 1,868 1,874 4.1,877 1,879 1,881 13.25,882 9.567,883 5.361,884 2.963,886 1.801,887 1.259,888 0.938,889 6.182,890 8.746,891 3.526,892 4.052,893 4.486,894 4.95,895 5.048,896 5.236,897 5.361,898 5.659,899 5.968,900 6.285,901 0.875,902 32,903 9.286,905 3.894,906 7.643,907 18.061,909 14.9,911 2.143,912 53.583,916 258.964,917 133.922,918 69.593,920 34.652,922 63.497,923 70.425,924 293.617,925 69.593,926 26.476,927 28.191,928 18.011,929 91.983,930 28.103,931 5.449,932 298.919,934 258.964,935 140.017,936 34.652,937 63.497,939 211.88,940 81.737,943 96.293,944 10.153,945 33.571,946 63.497,947 258.964,948 104.245,949 133.922,952 258.964,953 89.352,954 44.57,955 36.022,956 68.223,957 258.964,958 104.245,959 133.922,961 0.59,962 0.321,963 0.158,964 0.079,965 18,966 8,967 0.118,968 6,970 1,971 3.82,972 192.522,974 16,975 107.342,977 2,981 18.869,982 8.191,983 5.284,985 104.245,986 3.591,987 8.642,989 5.797,990 1.492,991 3.302,993 36.022,994 497.131,995 33,1000 12.249,1004 0.079,1007 49.051,1008 55.404,1009 0.304,1010 0.625,1011 0.792,1012 0.799,1013 0.799,1014 0.799,1015 4.783,1016 1.036,1017 5.714,1018 3.835,1019 4.344,1020 4.736,1021 3.36,1022 6.518,1023 4.218,1024 5.978,1025 1,1026 7.28,1027 2.476,1028 4.111,1029 4.575,1030 1.593,1031 7.644,1032 4.011,1033 7.285,1034 0.756,1035 8.959,1036 2.136,1037 5.994,1038 6.808,1039 5.512,1040 10.597,1041 5.803,1042 8.625,1043 0.692,1044 10.709,1045 1.811,1046 6.567,1047 7.459,1048 3.032,1049 12.55,1050 6.426,1051 9.999,1052 0.447,1053 12.506,1054 1.686,1055 7.971,1056 9.173,1057 7.829,1058 15.115,1059 7.776,1060 11.393,1061 -0.353,1062 14.337,1063 1.109,1064 8.879,1065 10.182,1066 4.409,1067 17.376,1068 8.731,1069 12.803,1070 -0.75,1071 16.193,1072 -0.95,1073 10.122,1074 11.686,1075 10.185,1076 19.847,1077 9.95,1078 3.327,1079 -0.805,1080 18.069,1081 -1.619,1082 11.177,1083 12.866,1084 5.75,1085 22.226,1086 11.039,1087 2.864,1088 11.698,1089 19.961,1090 -2.339,1091 12.366,1092 14.279,1093 12.551,1094 24.679,1095 12.223,1096 2.662,1097 8.732,1098 21.866,1099 3.913,1100 13.489,1101 15.543,1102 7.068,1103 27.104,1104 13.367,1105 2.465,1106 7.783,1107 23.781,1108 3.744,1109 14.666,1110 16.917,1111 14.92,1112 29.556,1113 14.546,1114 1.995,1115 7.151,1116 25.704,1117 3.093,1118 15.821,1119 18.223,1120 8.374,1121 32,1122 15.715,1123 1.672,1124 5.721,1125 27.634,1126 3.018,1127 16.999,1128 19.581,1129 17.291,1130 34.454,1131 16.898,1132 1.423,1133 4.185,1134 29.57,1135 2.362,1136 18.171,1137 20.908,1138 9.674,1139 36.907,1140 18.079,1141 7787,1142 12486,1143 17.682,1144 32.841,1145 41.398,1146 44.023,1147 40.594,1148 40.509,1149 40.678,1150 49.121,1151 11.457,1152 116.645,1153 37.934,1154 5.469,1155 6.331,1156 6.92,1157 5.526,1158 5.327,1159 6.55,1160 6.545,1161 18.723,1162 5.255,1163 13.074,1164 1.533,1165 1.63,1166 1.503,1167 1.5,1168 1.507,1169 1.819,1170 0.424,1171 4.32,1172 1.405,1173 3.964,1174 3.99,1175 4.312,1176 3.884,1177 7.428,1178 3.831,1179 3.886,1180 3.93,1181 3.906,1182 3.753,1183 5.134,1184 3.747,1185 3.764,1186 3.794,1187 3.749,1188 3.699,1189 4.83,1190 3.664,1191 3.535,1192 3.595,1193 3.532,1194 3.378,1195 4.361,1196 3.366,1197 3.314,1198 3.363,1199 3.293,1200 3.065,1201 4.238,1202 3.085,1203 3.111,1204 3.206,1205 3.179,1206 2.941,1207 3.819,1208 2.91,1209 3.004,1210 3.067,1211 2.866,1212 2.914,1213 3.794,1214 2.849,1215 2.874,1216 3.009,1217 2.604,1218 2.618,1219 3.605,1220 2.57,1221 0.166,1222 0.164,1223 0.264,1224 0.16,1225 0.123,1226 4.469,1227 0.145,1228 4.438,1229 0.121,1230 7.118,1231 0.433,1232 4.324,1233 0.123,1234 3.327,1235 3.913,1236 3.272,1237 11.698,1238 3.319,1239 1.836,1240 1.783,1241 2.039,1242 2.019,1243 1.39,1244 2.029,1245 1.774,1246 1.732,1247 1.988,1248 1.925,1249 1.203,1250 1.946,1251 1.509,1252 1.505,1253 1.565,1254 1.655,1255 0.892,1256 1.66,1257 1.364,1258 1.316,1259 1.513,1260 1.637,1261 0.825,1262 1.607,1263 1.246,1264 1.213,1265 1.477,1266 1.411,1267 0.614,1268 1.429,1269 1.153,1270 1.064,1271 1.417,1272 1.376,1273 0.493,1274 1.411,1275 1.109,1276 1.062,1277 1.417,1278 1.353,1279 0.469,1280 1.343,1281 1.034,1282 0.988,1283 1.356,1284 1.239,1285 0.469,1286 1.308,1287 4.007,1289 5.333,1290 3.045,1291 6.817,1292 5.283,1293 8.367,1294 7.273,1295 9.953,1297 6.306,1303 4.242,1305 6.212,1307 1.619,1308 0.087,1310 -0.035,1314 30.157,1315 83.595,1316 171.927,1317 217.837,1318 219.837,1319 219.837,1320 219.837,1321 47.806,1322 6.945,1323 80.05,1324 133.59,1325 16,1326 12.228,1327 3.585,1328 2.807,1329 42.16,1330 108,1331 90,1332 0.189,1333 194.455,1334 329.18,1335 466.229,1336 9880,1338 17.864,1339 0.715,1340 0.657,1341 18.571,1342 16.428,1343 11.915,1344 0.441,1345 0.38,1346 8.514,1347 10.638,1348 8.023,1349 6.704,1350 12.777,1351 10.272,1352 11.476,1353 0.302,1354 0.249,1355 12.82,1356 9.461,1357 8.559,1358 0.19,1359 0.137,1360 10.051,1361 6.147,1362 6.671,1363 0.124,1364 0.079,1365 8.233,1366 4.261,1367 4.753,1368 0.082,1369 0.05,1370 6.206,1371 2.923,1372 0.307,1373 83.323,1374 0.238,1375 24.931,1376 0.49,1377 130,1378 373.148,1379 198.068,1380 396.987,1381 537,1382 372,1383 148,1384 362.019,1385 201.5,1386 392.607,1387 572.45,1388 366,1389 5.3}
{0 CHEMBL296586,1 1.598,2 6.8,3 3.671,4 13.478,5 81.527,6 10.555,7 0.696,8 3.578,9 3.674,10 3.453,11 3.281,12 4.708,13 3.251,14 4.076,15 4.189,16 3.916,17 3.716,18 5.211,19 3.664,20 4.379,21 4.53,22 4.018,23 3.885,24 5.471,25 3.812,26 4.407,27 4.589,28 3.951,29 3.827,30 5.478,31 3.743,32 4.328,33 4.522,34 3.962,35 3.702,36 5.477,37 3.606,38 4.167,39 4.37,40 3.589,41 3.484,42 5.281,43 3.33,44 3.766,45 3.986,46 3.72,47 3.087,48 4.923,49 2.928,50 3.241,51 3.487,52 2.923,53 2.584,54 4.122,55 2.298,56 0.03,57 0.403,58 2.468,59 2.318,60 4.117,61 2.678,62 0.072,63 0.658,64 4.917,65 4.249,66 10.09,67 5.158,68 0.163,69 0.912,70 18.475,71 6.594,72 24.117,73 7.122,74 0.159,75 0.98,76 15.897,77 6.759,78 17.22,79 7.84,80 0.213,81 0.865,82 15.009,83 6.6,84 26.79,85 7.775,86 0.194,87 0.691,88 26.28,89 6.868,90 32.519,91 7.433,92 0.182,93 0.457,94 14.759,95 4.623,96 24.701,97 5.111,98 0.082,99 0.261,100 16.044,101 3.356,102 11.86,103 3.674,104 5,105 34,106 0.294,107 0.656,108 0.772,109 0.889,110 0.901,111 0.901,112 3.061,113 0.94,114 -4.44,115 -4.37,116 -4.12,117 1,119 51.6,121 1,142 7,143 3,144 2,152 2,158 1,172 8,175 1,178 1,180 7,183 11,188 1,193 7,196 11,200 3,204 1,205 4,208 10,213 3,216 1,218 3,221 10,225 2,230 1,233 7,238 2,243 2,246 5,258 3,272 1,276 374,277 13.671,278 13.671,279 13.671,280 13.671,281 13.671,282 11.645,283 12.06,284 7.934,285 13.909,286 11.397,287 11.397,288 11.397,289 11.397,290 11.397,291 8.281,292 15.404,293 3.815,294 11.846,295 3.357,296 1.397,297 0.763,298 0.129,299 0.065,300 0.065,301 3.762,304 1,305 1,306 1,307 305,308 2,311 19.565,312 60.039,313 30.913,315 41.359,316 42.873,317 52.459,319 1.04,320 14.78,323 1,324 0.83,325 1,326 0.4,328 1,329 1,330 0.75,331 41.75,332 136,333 4.708,334 3.676,335 6.927,336 4.287,337 3.305,338 4.64,339 1.987,340 11.72,341 3.246,342 4.224,343 3.255,344 6.304,345 3.8,346 2.822,347 3.88,348 0.324,349 9.5,350 2.758,351 3.681,352 2.915,353 5.482,354 3.303,355 2.298,356 3.131,358 6.856,359 2.306,360 3.615,361 2.704,362 5.241,363 3.2,364 2.28,365 2.843,367 6.537,368 2.086,369 3.327,370 2.121,371 4.95,372 2.843,373 1.922,374 2.638,376 5.72,377 1.661,378 3.08,379 1.797,380 4.659,381 2.601,382 1.616,383 2.328,385 4.647,386 1.568,387 2.854,388 1.509,389 4.033,390 2.393,391 1.397,392 1.995,394 3.173,395 1.388,396 2.577,397 1.222,398 3.682,399 2.085,400 1.092,401 1.608,403 2.872,404 1.08,405 2.196,406 0.973,407 3.506,408 1.722,409 0.756,410 1.061,412 1.974,413 0.714,414 1.375,415 0.64,416 2.924,417 0.967,423 1.215,424 0.336,425 2.746,426 0.907,427 -0.026,428 -0.031,430 -0.07,431 -0.023,432 0.812,433 0.101,434 2.397,435 0.33,436 -0.578,437 -0.73,439 -1.538,440 -0.385,441 0.696,442 -0.346,443 2.276,444 0.231,445 -0.745,446 -1.069,448 -1.887,449 -0.75,450 0.579,451 -0.8,452 2,453 0.079,454 -0.923,455 -1.363,457 -2.448,458 -0.901,459 0.458,460 -0.906,461 2,462 0.007,463 -1,464 -1.427,466 -2.743,467 -1.001,468 10.467,469 0.523,470 0.538,471 0.027,472 28.75,473 1.438,474 16,475 0.8,476 12.75,477 0.638,478 14.775,479 0.739,480 18.933,481 0.611,482 17.248,483 0.862,484 5.437,485 0.272,486 4.284,487 0.214,488 0.159,490 0.382,496 0.719,497 0.926,498 0.454,499 0.612,500 0.546,501 0.657,502 0.526,503 1.12,504 0.532,505 0.795,506 0.515,507 0.856,508 1.163,509 1.089,510 0.87,511 0.936,512 1.09,513 0.965,514 0.951,515 1.071,516 0.654,517 0.923,518 0.805,519 1.015,520 0.975,521 0.965,522 0.626,523 0.87,524 1.08,525 0.948,526 1.454,527 0.963,528 1.305,529 1.187,530 1.684,531 1.174,532 0.987,533 0.912,534 1.231,535 1.094,536 1.306,537 0.995,538 1.064,539 0.858,540 2.379,541 1.511,542 0.914,543 1.345,544 4,546 2.222,547 1.826,548 1.456,549 0.73,550 0.281,551 0.175,552 0.037,553 0.016,554 3458,555 10443,556 2.195,557 35.5,559 7,562 2,563 2,567 1.626,568 2.069,569 2.781,570 0.311,572 1,574 1,577 49.526,578 1.598,579 3.557,580 4.191,581 4.825,582 4.89,583 4.89,584 2.246,585 4.022,586 4.298,587 2.849,588 541.358,589 7.383,590 5219.63,591 1,592 1,593 1,594 1,595 153.58,596 1.361,597 4.262,598 0.174,600 0.065,601 0.049,602 0.044,603 0.026,604 0.016,605 0.015,606 0.009,607 0.016,608 0.414,609 0.67,610 1,611 0.548,612 84.831,613 -0.09,614 0.083,615 -0.004,616 0.071,617 -0.067,618 0.075,619 0.128,620 -0.154,621 0.009,622 -0.053,623 0.046,624 -0.063,625 -0.196,626 -0.086,627 -0.089,628 -0.075,629 -0.152,630 -0.097,631 -0.051,632 -0.038,633 -0.025,634 -0.083,635 -0.009,636 -0.107,637 0.093,638 0.021,639 0.066,640 0.034,641 0.084,642 0.023,643 -0.202,644 -0.058,645 -0.121,646 -0.088,647 -0.165,648 -0.105,649 0.232,650 0.001,651 0.173,652 0.095,653 0.068,654 0.14,655 -0.137,656 0.005,657 -0.17,658 -0.042,659 -0.121,660 -0.063,661 1.642,662 5.098,663 0.9,664 11.04,665 1.006,666 1.101,667 3.207,668 10.283,669 0.762,670 3.178,671 3.555,672 3.892,673 4.263,674 4.575,675 4.745,676 4.92,677 5.063,678 5.136,679 5.136,680 4.163,681 0.723,682 327.19,683 3.178,684 4.745,685 5.631,686 6.55,687 7.46,688 8.385,689 9.305,690 10.232,691 11.156,692 12.085,693 6.5,700 1,701 1,708 2,709 7,711 1,714 5,716 16,734 1,735 31,737 17,738 2,739 23,740 1,741 34,742 16,743 14,744 5,745 7,748 4,749 10,757 1,760 1,762 15,763 1,767 1,772 1,776 1,779 1,780 1,783 11,784 2,785 2,786 4,787 1,792 2,797 0.25,798 1,811 1,815 1,816 2,817 1,819 1,820 1,821 1,829 1,843 1,846 1,851 20,858 1,860 1,873 1,874 3.2,877 1,881 9.667,882 5.643,883 4.222,884 1.834,886 3.453,887 1.464,888 1.099,889 2.638,890 10.894,891 3.497,892 4.186,893 4.847,894 5.551,895 6.169,896 6.592,897 7.091,898 7.551,899 7.852,900 8.167,901 0.8,902 37,903 7.384,905 3.269,906 7.679,907 14.209,909 12.271,911 2.179,912 43.583,913 0.001,916 105.94,917 93.23,918 80.75,920 25.145,923 139.184,924 131.085,925 34.796,927 20.545,928 66.334,929 29.85,930 31.541,931 4.901,932 105.94,933 45.954,934 105.94,935 128.026,936 25.145,938 45.954,939 105.94,940 25.145,943 37.331,944 90.695,946 45.954,947 105.94,948 59.941,949 139.184,952 105.94,953 26.896,954 66.334,955 80.75,956 25.145,957 105.94,958 59.941,959 139.184,961 0.592,962 0.35,963 0.208,964 0.128,965 20,966 8,969 3,970 1.333,971 3.158,972 169.736,973 0.333,974 18,975 84.439,981 12.035,982 4.385,983 1.885,984 2.156,985 43.156,986 13.989,988 3.447,991 5.017,993 34.796,994 305.065,995 32,1000 12.098,1004 0.025,1007 31.178,1008 34.124,1009 0.322,1010 0.718,1011 0.846,1012 0.974,1013 0.987,1014 0.987,1015 4.745,1016 1.092,1017 5.638,1018 3.173,1019 4.234,1020 4.871,1021 2.076,1022 6.512,1023 4.168,1024 5.989,1025 0.756,1026 7.228,1027 2.872,1028 3.892,1029 4.796,1030 1.593,1031 7.496,1032 3.772,1033 7.326,1035 8.917,1036 1.974,1037 5.878,1038 7.178,1039 3.1,1040 10.664,1041 5.771,1042 8.699,1043 -0.026,1044 10.666,1046 6.347,1047 7.935,1048 3.168,1049 12.507,1050 6.209,1051 10.105,1052 -0.578,1053 12.454,1054 -0.07,1055 7.826,1056 9.804,1057 4.312,1058 15.196,1059 7.689,1060 11.535,1061 -0.745,1062 14.27,1063 -1.538,1064 8.682,1065 10.966,1066 4.654,1067 17.399,1068 8.524,1069 12.985,1070 -0.923,1071 16.108,1072 -1.887,1073 9.964,1074 12.626,1075 5.601,1076 19.927,1077 9.799,1078 3.305,1079 -1,1080 17.962,1081 -2.448,1082 11.001,1083 13.984,1084 6.091,1085 22.277,1086 10.818,1087 2.822,1088 11.72,1089 19.829,1090 -2.743,1091 12.211,1092 15.559,1093 6.927,1094 24.752,1095 12.016,1096 2.298,1097 9.5,1098 21.707,1099 4.64,1100 13.329,1101 17.009,1102 7.5,1103 27.162,1104 13.117,1105 2.28,1106 6.856,1107 23.594,1108 3.88,1109 14.516,1110 18.551,1111 8.273,1112 29.622,1113 14.29,1114 1.922,1115 6.537,1116 25.488,1117 3.131,1118 15.671,1119 20.043,1120 8.894,1121 32.057,1122 15.427,1123 1.616,1124 5.72,1125 27.387,1126 2.843,1127 16.854,1128 21.574,1129 9.631,1130 34.513,1131 16.594,1132 1.397,1133 4.647,1134 29.291,1135 2.638,1136 18.026,1137 23.085,1138 10.279,1139 36.96,1140 17.749,1141 3273,1142 5768,1143 15.72,1144 23.625,1145 35.481,1146 36.517,1147 36.35,1148 35.189,1149 34.978,1150 48.248,1151 4.622,1152 105.998,1153 33.614,1154 5.58,1155 5.676,1156 6.608,1157 5.335,1158 5.305,1159 7.64,1160 3.497,1161 19.268,1162 5.246,1163 7.44,1164 1.543,1165 1.588,1166 1.58,1167 1.53,1168 1.521,1169 2.098,1170 0.201,1171 4.609,1172 1.461,1173 4.171,1174 4.199,1175 6.88,1176 4.102,1177 7.429,1178 4.105,1179 3.859,1180 3.887,1181 4.117,1182 3.804,1183 4.972,1184 3.796,1185 3.517,1186 3.549,1187 3.78,1188 3.413,1189 4.701,1190 3.399,1191 3.327,1192 3.37,1193 3.42,1194 3.154,1195 4.267,1196 3.167,1197 2.97,1198 3.038,1199 3.144,1200 2.843,1201 3.949,1202 2.831,1203 2.822,1204 2.881,1205 2.834,1206 2.732,1207 3.776,1208 2.708,1209 2.796,1210 2.852,1211 2.681,1212 2.691,1213 3.58,1214 2.679,1215 2.469,1216 2.539,1217 2.624,1218 2.272,1219 3.409,1220 2.255,1221 0.205,1222 0.16,1223 0.301,1224 0.186,1225 0.144,1226 4.708,1227 0.202,1228 3.676,1229 0.086,1230 6.927,1231 0.51,1232 4.287,1233 0.141,1234 3.305,1235 4.64,1236 1.987,1237 11.72,1238 3.246,1239 1.935,1240 1.919,1241 2.009,1242 2.02,1243 1.204,1244 2.02,1245 1.913,1246 1.887,1247 1.988,1248 1.975,1249 1.119,1250 1.988,1251 1.596,1252 1.558,1253 1.733,1254 1.787,1255 0.91,1256 1.77,1257 1.239,1258 1.192,1259 1.384,1260 1.466,1261 0.461,1262 1.451,1263 0.991,1264 0.953,1265 1.176,1266 1.17,1267 0.243,1268 1.184,1269 0.849,1270 0.796,1271 1.089,1272 1.014,1273 0.182,1274 1.048,1275 0.809,1276 0.752,1277 1.052,1278 0.975,1279 0.163,1280 1.017,1281 0.46,1282 0.404,1283 0.731,1284 0.669,1286 0.709,1287 3.85,1289 5.209,1290 2.398,1291 6.76,1292 4.949,1293 8.402,1294 7.222,1295 10.094,1296 3.497,1303 0.389,1305 2.964,1314 22.417,1315 49.526,1316 110.277,1317 129.929,1318 149.58,1319 151.58,1320 151.58,1321 24.15,1322 7.441,1323 44.89,1324 44.89,1325 24,1326 12.588,1327 4.17,1328 3.322,1329 25.901,1330 52,1331 47,1332 0.268,1333 140.754,1334 232.17,1335 335.199,1336 15852,1337 3.2,1338 13.69,1339 0.684,1340 0.606,1341 14.69,1342 12.121,1343 9.72,1344 0.423,1345 0.313,1346 6.417,1347 8.954,1348 6.237,1349 5.11,1350 10.298,1351 7.209,1352 9.191,1353 0.27,1354 0.172,1355 10.007,1356 5.855,1357 7.883,1358 0.164,1359 0.087,1360 8.407,1361 4.169,1362 7.159,1363 0.102,1364 0.045,1365 7.598,1366 3.16,1367 6.396,1368 0.067,1369 0.025,1370 6.977,1371 2.438,1372 0.391,1373 68.088,1374 0.252,1375 19.022,1376 0.836,1377 114,1378 299.056,1379 186.193,1380 334.229,1381 455.97,1382 312,1383 139,1384 317.877,1385 173.421,1386 337.543,1387 499.01,1388 320,1389 6.2}
{0 CHEMBL300138,1 1.463,2 13.769,3 4.534,4 20.558,5 151.757,6 7.583,7 0.578,8 4.333,9 4.449,10 3.937,11 3.93,12 5.403,13 3.909,14 4.891,15 5.057,16 4.336,17 4.371,18 5.922,19 4.332,20 5.159,21 5.356,22 4.405,23 4.538,24 6.128,25 4.466,26 5.263,27 5.477,28 4.438,29 4.597,30 6.268,31 4.508,32 5.31,33 5.525,34 4.491,35 4.613,36 6.325,37 4.532,38 5.321,39 5.528,40 4.488,41 4.613,42 6.389,43 4.535,44 5.332,45 5.549,46 4.383,47 4.562,48 6.387,49 4.469,50 5.254,51 5.487,52 4.229,53 4.439,54 6.266,55 4.338,56 0.024,57 1.003,58 13.098,59 5.962,60 8.409,61 7.762,62 0.268,63 1.73,64 25.55,65 10.038,66 25.517,67 13.473,68 0.279,69 2.148,70 35.731,71 14.257,72 33.073,73 19.155,74 0.361,75 2.339,76 40.757,77 16.439,78 61.46,79 22.531,80 0.425,81 2.439,82 43.258,83 16.985,84 51.945,85 23.08,86 0.414,87 2.432,88 43.587,89 16.945,90 64.64,91 22.641,92 0.47,93 2.42,94 45.411,95 17.217,96 83.853,97 22.682,98 0.493,99 2.205,100 43.594,101 15.829,102 86.688,103 20.961,104 10,105 66,106 0.225,107 0.565,108 0.719,109 0.796,110 0.832,111 0.85,112 3.694,113 0.897,114 -4.04,115 -3.99,116 -3.78,119 47.1,121 2,124 1,125 3,127 1,136 2,142 11,143 4,145 1,146 1,151 2,152 2,158 2,172 15,175 14,178 2,180 2,183 16,187 1,188 12,193 2,196 13,199 2,200 9,205 2,208 16,212 2,213 9,216 2,218 2,221 17,224 2,225 11,230 4,233 14,237 2,238 14,243 4,246 11,250 11,258 8,263 1,264 9,267 1,272 11,276 3072,277 26.999,278 26.999,279 26.999,280 26.999,281 26.999,282 23.554,283 25.266,284 15.774,285 27.369,286 22.269,287 22.269,288 22.269,289 22.269,290 22.269,291 16.942,292 30.58,293 7.522,294 22.853,295 4.625,296 2.421,297 1.418,298 0.917,299 0.688,300 0.57,301 4.42,306 1,307 1220,308 2.915,311 243.269,312 429.132,315 290.794,319 2.146,320 30.791,323 0.75,324 0.67,325 0.83,326 0.7,327 0.5,328 0.83,329 1,330 0.75,331 82.5,332 537,333 4.828,334 3.839,335 7.192,336 4.426,337 3.434,338 4.717,339 1.2,340 12.678,341 3.407,342 4.647,343 3.339,344 6.862,345 4.189,346 3.219,347 4.604,348 0.916,349 11.457,350 3.126,351 4.366,352 3.257,353 6.577,354 3.943,355 2.969,356 3.945,357 0.8,358 10.363,359 2.887,360 3.942,361 3.154,362 6.041,363 3.657,364 2.704,365 3.457,366 0.172,367 8.5,368 2.579,369 3.747,370 3.004,371 5.694,372 3.468,373 2.495,374 3.016,376 7.686,377 2.42,378 3.54,379 2.655,380 5.562,381 3.205,382 2.217,383 2.846,385 7.198,386 2.197,387 3.395,388 2.417,389 5.278,390 3.076,391 2.125,392 2.702,394 6.187,395 2.007,396 3.342,397 2.303,398 5.064,399 2.957,400 1.974,401 2.626,403 5.967,404 1.932,405 3.314,406 2.04,407 4.979,408 2.847,409 1.877,410 2.466,412 5.314,413 1.809,414 3.149,415 1.903,416 4.761,417 2.678,418 1.648,419 2.307,421 4.702,422 1.685,423 2.916,424 1.582,425 4.515,426 2.522,427 1.543,428 2.062,430 4.185,431 1.509,432 2.843,433 1.472,434 4.31,435 2.377,436 1.394,437 1.923,439 3.557,440 1.367,441 2.777,442 1.447,443 3.653,444 2.32,445 1.324,446 1.857,448 3.031,449 1.316,450 2.655,451 1.216,452 3.595,453 2.167,454 1.178,455 1.709,457 2.78,458 1.163,459 2.528,460 1.122,461 3.584,462 2.045,463 1.067,464 1.507,466 2.716,467 1.041,468 18.667,469 0.479,470 0.935,471 0.024,472 52.75,473 1.353,474 26.5,475 0.679,476 26.25,477 0.673,478 35.82,479 0.918,480 39.533,481 0.581,482 44.945,483 1.152,484 10.362,485 0.266,486 8.718,487 0.224,488 0.063,490 0.386,496 0.71,497 1.287,498 0.74,499 1.001,500 0.518,501 0.891,502 0.847,503 1.037,504 0.868,505 0.869,506 0.517,507 0.856,508 0.954,509 0.997,510 0.962,511 0.976,512 0.811,513 0.965,514 0.707,515 1.026,516 0.915,517 1.024,518 0.547,519 0.996,520 0.876,521 1.012,522 0.912,523 1.011,524 0.95,525 0.974,526 1.113,527 1.069,528 0.995,529 1.062,530 1.219,531 1.023,532 1.389,533 1.04,534 1.118,535 1.081,536 1.574,537 1.077,538 1.557,539 1.002,540 1.117,541 0.973,542 1.773,543 0.998,544 6,545 0.224,546 4.222,547 3.91,548 2.248,549 1.668,550 1.266,551 0.829,552 0.536,553 0.355,554 25302,555 59288,556 2.216,557 42.6,559 21,560 2,561 1,562 1,565 4,567 1.797,568 2.108,569 3.685,570 -0.434,577 99.456,578 1.463,579 3.666,580 4.67,581 5.17,582 5.4,583 5.518,584 3.214,585 4.978,586 5.251,587 3.876,588 2871.9,589 9.281,590 46468.6,595 413.947,596 1.296,597 5.233,598 0.133,599 0.005,600 0.064,601 0.057,602 0.032,603 0.023,604 0.018,605 0.013,606 0.01,607 0.007,608 0.362,609 0.33,610 0.75,611 0.42,612 215.456,613 -0.009,614 -0.177,615 0.072,616 -0.037,617 -0.013,618 0.015,619 0.023,620 0.077,621 0.02,622 0.073,623 0.06,624 0.054,625 -0.062,626 0.031,627 -0.026,629 -0.015,630 -0.004,631 0.107,632 -0.033,633 0.037,634 -0.032,635 0.187,636 -0.007,637 0.109,638 -0.018,639 0.061,640 -0.028,641 0.036,642 0.004,643 0.017,644 -0.079,645 -0.017,646 -0.081,647 0.011,648 -0.056,649 -0.106,650 -0.068,651 -0.112,652 -0.1,653 -0.101,654 -0.108,655 -0.195,656 -0.045,657 -0.08,658 0.008,659 -0.196,660 -0.02,661 2.008,662 6.339,663 0.897,664 45.945,665 0.997,666 1.116,667 2.809,668 7.892,669 0.692,670 3.829,671 4.205,672 4.575,673 4.949,674 5.226,675 5.394,676 5.642,677 5.844,678 5.976,679 6.127,680 7.828,681 0.66,682 515.66,683 3.829,684 5.407,685 6.304,686 7.225,687 8.143,688 9.073,689 10.002,690 10.938,691 11.872,692 12.812,693 7.4,696 1,700 1,701 2,703 1,708 4,709 14,710 1,714 3,715 2,716 26,735 68,737 29,738 2,739 45,741 74,742 32,743 21,744 4,745 8,746 4,748 7,749 9,757 3,760 3,762 25,763 7,767 3,772 2,776 4,783 29,784 5,785 1,786 7,792 5,794 1,797 0.714,798 2,809 1,811 2,815 3,816 4,819 2,835 2,839 1,843 5,847 1,851 39,858 5,860 1,863 1,864 1,874 2.9,877 2,881 18.5,882 12.633,883 8.333,884 4.229,886 5.129,887 1.545,888 1.059,889 5.952,890 14.546,891 4.127,892 4.787,893 5.474,894 6.159,895 6.731,896 7.14,897 7.666,898 8.146,899 8.471,900 8.912,901 1,902 69,903 14.516,905 6.465,906 7.62,907 28.163,909 24.475,911 2.12,912 82.667,916 329.591,917 185.506,918 41.719,920 50.29,923 185.506,924 379.881,925 41.719,926 8.396,927 29.397,928 122.334,929 88.256,930 36.615,931 27.83,932 294.278,934 329.591,935 227.225,936 50.29,939 282.506,940 97.374,943 48.124,944 162.316,945 16.786,947 329.591,948 92.009,949 185.506,952 329.591,953 45.729,954 146.7,955 18.011,956 67.075,957 329.591,958 92.009,959 185.506,961 0.588,962 0.359,963 0.213,964 0.12,965 36,966 15,967 0.068,968 5,969 2,970 1.114,971 4.812,972 430.55,973 0.114,974 35,975 198.131,981 24.081,982 9.639,983 4.117,984 4.061,985 88.21,986 28.156,987 4.485,991 2.688,992 4.333,993 18.011,994 607.106,995 61,1000 26.575,1004 0.228,1007 67.767,1008 75.893,1009 0.24,1010 0.602,1011 0.767,1012 0.849,1013 0.887,1014 0.906,1015 5.391,1016 1.974,1017 6.304,1018 6.187,1019 4.89,1020 5.476,1021 1.897,1022 7.194,1023 4.842,1024 6.62,1025 1.877,1026 7.904,1027 5.967,1028 4.511,1029 5.345,1030 0.325,1031 8.231,1032 4.439,1033 7.952,1034 1.648,1035 9.607,1036 5.314,1037 6.547,1038 7.765,1039 1.935,1040 11.422,1041 6.452,1042 9.326,1043 1.543,1044 11.375,1045 4.702,1046 7.04,1047 8.538,1048 0.393,1049 13.347,1050 6.927,1051 10.739,1052 1.394,1053 13.184,1054 4.185,1055 8.535,1056 10.415,1057 2.104,1058 16.059,1059 8.402,1060 12.181,1061 1.324,1062 15.023,1063 3.557,1064 9.425,1065 11.611,1066 0.384,1067 18.334,1068 9.28,1069 13.646,1070 1.178,1071 16.885,1072 3.031,1073 10.719,1074 13.275,1075 2.35,1076 20.9,1077 10.559,1078 3.434,1079 1.067,1080 18.763,1081 2.78,1082 11.786,1083 14.663,1084 0.351,1085 23.313,1086 11.617,1087 3.219,1088 12.678,1089 20.654,1090 2.716,1091 13.01,1092 16.244,1093 2.642,1094 25.836,1095 12.829,1096 2.969,1097 11.457,1098 22.557,1099 4.717,1100 14.153,1101 17.715,1102 0.312,1103 28.306,1104 13.964,1105 2.704,1106 10.363,1107 24.468,1108 4.604,1109 15.357,1110 19.266,1111 2.962,1112 30.819,1113 15.159,1114 2.495,1115 8.5,1116 26.386,1117 3.945,1118 16.535,1119 20.774,1120 0.273,1121 33.314,1122 16.329,1123 2.217,1124 7.686,1125 28.31,1126 3.457,1127 17.737,1128 22.314,1129 3.298,1130 35.828,1131 17.523,1132 2.125,1133 7.198,1134 30.239,1135 3.016,1136 18.931,1137 23.838,1138 0.236,1139 38.337,1140 18.711,1141 22801,1142 35103,1143 31.035,1144 47.074,1145 70.136,1146 71.333,1147 71.263,1148 69.338,1149 69.375,1150 92.678,1151 6.178,1152 209.407,1153 67.753,1154 5.828,1155 5.839,1156 6.994,1157 5.47,1158 5.434,1159 7.717,1160 2.4,1161 20.534,1162 5.407,1163 14.388,1164 1.559,1165 1.585,1166 1.584,1167 1.541,1168 1.542,1169 2.06,1170 0.137,1171 4.653,1172 1.506,1173 4.212,1174 4.241,1175 4.181,1176 4.13,1177 7.45,1178 4.139,1179 4.102,1180 4.137,1181 4.065,1182 4.016,1183 7.408,1184 4.024,1185 3.908,1186 3.958,1187 3.835,1188 3.787,1189 4.962,1190 3.792,1191 3.782,1192 3.822,1193 3.743,1194 3.645,1195 4.892,1196 3.658,1197 3.738,1198 3.773,1199 3.637,1200 3.615,1201 4.881,1202 3.616,1203 3.444,1204 3.511,1205 3.33,1206 3.292,1207 4.356,1208 3.294,1209 3.383,1210 3.446,1211 3.287,1212 3.213,1213 4.317,1214 3.226,1215 3.17,1216 3.235,1217 3.04,1218 3.03,1219 4.214,1220 3.023,1221 0.107,1222 0.085,1223 0.16,1224 0.098,1225 0.076,1226 4.828,1227 0.105,1228 3.839,1229 0.027,1230 7.192,1231 0.282,1232 4.426,1233 0.076,1234 3.434,1235 4.717,1236 1.2,1237 12.678,1238 3.407,1239 1.968,1240 1.948,1241 2.083,1242 2.091,1243 1.434,1244 2.092,1245 1.94,1246 1.911,1247 2.038,1248 2.027,1249 1.2,1250 2.031,1251 1.877,1252 1.833,1253 2.005,1254 1.995,1255 1.146,1256 1.999,1257 1.797,1258 1.755,1259 1.938,1260 1.926,1261 1.044,1262 1.933,1263 1.681,1264 1.645,1265 1.798,1266 1.827,1267 0.946,1268 1.822,1269 1.492,1270 1.44,1271 1.654,1272 1.69,1273 0.825,1274 1.677,1275 1.299,1276 1.245,1277 1.513,1278 1.594,1279 0.794,1280 1.535,1281 1.26,1282 1.213,1283 1.506,1284 1.492,1285 0.691,1286 1.494,1287 4.511,1289 5.872,1290 3.434,1291 7.431,1292 5.938,1293 9.078,1294 8.138,1295 10.775,1297 1.965,1303 4.823,1305 2.587,1308 0.311,1309 2.454,1314 44.858,1315 99.456,1316 249.288,1317 317.529,1318 351.583,1319 367.193,1320 375.193,1321 63.491,1322 9.417,1323 75.92,1324 75.92,1325 39,1326 13.309,1327 4.907,1328 4.087,1329 50.379,1330 178,1331 229,1332 0.135,1333 266.952,1334 456.76,1335 643.123,1336 199345,1338 26.509,1339 0.68,1340 0.559,1341 26.509,1342 21.801,1343 19.081,1344 0.424,1345 0.299,1346 13.3,1347 18.516,1348 13.005,1349 10.704,1350 19.081,1351 13.449,1352 17.53,1353 0.266,1354 0.159,1355 17.53,1356 10.5,1357 15.698,1358 0.164,1359 0.085,1360 15.698,1361 8.17,1362 14.368,1363 0.103,1364 0.045,1365 14.368,1366 6.292,1367 12.105,1368 0.065,1369 0.025,1370 12.105,1371 4.594,1372 0.211,1373 118.309,1374 0.18,1375 34.804,1376 0.375,1377 222,1378 560.384,1379 237.114,1380 552.222,1381 777.99,1382 520,1383 273,1384 592.442,1385 289.671,1386 604.965,1387 899.54,1388 572,1389 5.721}
{0 CHEMBL306380,1 1.414,2 7.333,3 3.117,4 9.718,5 86.242,6 7.035,7 0.696,8 3.78,9 3.925,10 3.308,11 3.308,12 4.881,13 3.278,14 4.296,15 4.501,16 3.719,17 3.699,18 5.314,19 3.661,20 4.506,21 4.7,22 3.776,23 3.853,24 5.555,25 3.792,26 4.735,27 5.02,28 3.758,29 3.875,30 5.693,31 3.777,32 4.518,33 4.757,34 3.597,35 3.782,36 5.48,37 3.694,38 4.41,39 4.606,40 3.555,41 3.742,42 5.491,43 3.646,44 4.587,45 4.869,46 3.136,47 3.668,48 5.525,49 3.486,50 4.43,51 4.781,52 2.574,53 3.346,54 5.038,55 3.057,56 0.063,57 0.637,58 8.78,59 3.354,60 10.452,61 4.864,62 0.16,63 0.996,64 15.757,65 5.582,66 18.685,67 8.309,68 0.165,69 1.218,70 19.364,71 6.23,72 21.113,73 9.584,74 0.368,75 1.326,76 26.667,77 8.096,78 42.398,79 12.698,80 0.222,81 1.142,82 20.52,83 6.126,84 26.614,85 9.635,86 0.104,87 1.073,88 17.488,89 6.115,90 24.136,91 9.241,92 0.284,93 1.08,94 22.923,95 6.668,96 44.962,97 10.608,98 0.151,99 0.763,100 20.505,101 7.313,102 24.616,103 11.243,104 27,105 35,106 0.251,107 0.627,108 0.712,109 0.73,110 0.73,111 0.73,112 3.105,113 0.906,114 -5.13,115 -5.03,116 -4.71,119 40,120 4,130 1,142 4,143 3,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 7,174 2,175 8,177 1,178 1,180 1,183 12,185 1,187 1,188 6,196 7,199 2,200 9,202 3,203 3,205 1,208 6,210 1,213 7,218 2,221 4,223 2,225 9,230 5,233 7,235 5,238 3,243 1,246 6,248 1,250 2,255 1,258 3,260 1,272 3,276 516,277 13.541,278 13.541,279 13.541,280 13.541,281 13.541,282 11.672,283 13.493,284 7.664,285 13.793,286 11.344,287 11.344,288 11.344,289 11.344,290 11.344,291 8.52,292 13.971,293 3.634,294 11.76,295 3.908,296 1.785,297 1.301,298 1.201,299 1.201,300 1.201,301 3.775,304 1,305 1,306 1,307 325,308 3.082,311 39.995,312 106.298,315 76.405,319 1.111,320 13.831,321 1,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 44.5,332 154,333 4.815,334 3.574,335 7.354,336 4.444,337 3.485,338 4.75,340 12.865,341 3.341,342 4.243,343 3.094,344 6.762,345 4.018,346 3.04,347 3.683,349 10.827,350 2.972,351 3.998,352 2.67,353 5.88,354 3.579,355 2.595,356 3.45,358 8.066,359 2.553,360 3.573,361 2.339,362 5.27,363 3.184,364 2.203,365 2.959,367 6.158,368 2.159,369 3.349,370 2.05,371 5.034,372 2.928,373 1.991,374 2.593,376 6.004,377 1.861,378 2.989,379 1.534,380 4.421,381 2.453,382 1.509,383 2.219,385 4.073,386 1.42,387 2.572,388 1.115,389 4.265,390 2.058,391 1.103,392 1.605,394 3.275,395 1.051,396 2.5,397 1,398 3.641,399 2,400 1,401 1.5,403 2.386,404 1,405 2.311,406 0.992,407 3.414,408 1.871,409 0.926,410 1.245,412 2.275,413 0.873,414 1.151,415 0.06,416 2.802,417 0.823,418 -0.161,419 -0.2,421 -0.363,422 -0.158,423 1.052,424 -0.173,425 2.625,426 0.603,427 -0.314,428 -0.407,430 -0.733,431 -0.289,432 0.642,433 -0.742,434 2.388,435 0.145,436 -0.796,437 -1,439 -2.273,440 -0.743,441 0.5,442 -0.91,443 2.162,445 -1,446 -1,448 -2.996,449 -1,450 0.209,451 -1,452 2,454 -1,455 -1.096,457 -3,458 -1,460 -1,461 2,463 -1,464 -1.276,466 -3,467 -1,468 10,469 0.476,470 0.796,471 0.038,472 28,473 1.333,474 14.5,475 0.69,476 13.5,477 0.643,478 17.562,479 0.836,480 22.4,481 0.56,482 18.777,483 0.894,484 5.241,485 0.25,486 4.635,487 0.221,488 0.24,489 0.05,490 0.34,496 0.874,497 1.288,498 0.848,499 1.08,500 1.187,501 0.98,502 0.68,503 1.043,504 0.621,505 0.831,506 0.499,507 0.737,508 1.276,509 1.398,510 1.128,511 1.221,512 0.929,513 1.167,514 0.908,515 0.8,516 0.787,517 0.748,518 0.85,519 0.752,520 1.527,521 1.015,522 1.17,523 0.95,524 1.16,525 1.005,526 1.134,527 1.512,528 1.263,529 1.449,530 1.109,531 1.385,532 1.606,533 0.922,534 1.465,535 1.113,536 2.085,537 1.245,538 0.394,539 0.78,540 0.804,541 0.946,542 0.45,543 0.929,544 5.5,546 3.111,547 2.035,548 1.981,549 1.063,550 0.509,551 0.324,552 0.172,553 0.016,554 3626,555 8245,556 2.006,557 47.5,558 3,559 4,561 1,562 2,564 9,567 1.64,568 1.813,569 2.839,570 0.331,571 1,572 1,574 1,577 56.557,578 1.414,579 3.537,580 4.021,581 4.121,582 4.121,583 4.121,584 2.258,585 3.559,586 4.363,587 2.972,588 624.059,589 7.52,590 6362.19,591 1,592 1,593 1,594 1,595 212.877,596 1.761,597 4.278,598 0.239,600 0.089,601 0.058,602 0.058,603 0.037,604 0.019,605 0.022,606 0.022,607 0.004,608 0.547,609 0.5,610 1,611 0.911,612 91.739,613 0.078,614 -0.061,615 0.057,616 -0.016,617 -0.215,618 0.012,619 0.318,620 0.065,621 0.328,622 0.188,623 0.317,624 0.248,625 -0.126,626 -0.249,627 -0.181,628 -0.239,629 -0.072,630 -0.221,631 0.226,632 0.161,633 0.221,634 0.186,635 0.208,636 0.2,637 -0.329,638 0.062,639 -0.194,640 -0.002,641 -0.171,642 -0.068,643 -0.174,644 -0.402,645 -0.337,646 -0.435,648 -0.411,649 -0.443,650 0.055,651 -0.473,652 -0.194,653 -0.63,654 -0.314,655 0.171,656 -0.061,657 0.185,658 0.055,659 0.188,660 0.111,661 1.429,662 2.076,663 0.714,664 13.932,665 0.992,666 1.135,667 3.9,668 15.21,669 0.659,670 3.178,671 3.584,672 3.85,673 4.174,674 4.454,675 4.595,676 4.625,677 4.691,678 4.615,679 4.477,680 4.52,681 0.62,682 281.4,683 3.178,684 4.762,685 5.631,686 6.558,687 7.459,688 8.392,689 9.305,690 10.241,691 11.16,692 12.097,693 12.5,697 1,701 1,703 3,708 2,709 5,710 3,714 4,715 1,716 16,727 1,735 40,737 16,738 1,739 23,741 42,742 16,743 11,744 2,745 4,748 3,749 4,754 4,762 11,763 5,764 1,779 1,780 1,783 19,784 4,785 2,786 5,792 5,797 0.667,807 1,810 1,815 1,816 2,819 1,843 2,847 4,851 21,852 1,865 1,881 11.583,882 8.55,883 4.389,884 2.312,886 3.101,887 1.453,888 0.97,889 3.123,890 9.941,891 3.466,892 4.171,893 4.835,894 5.522,895 6.12,896 6.53,897 6.939,898 7.374,899 7.597,900 7.826,901 0.8,902 35,903 7.715,905 3.245,906 7.607,907 14.845,909 12.17,911 2.107,912 44.25,913 0.001,915 1,916 200.109,917 97.568,918 84.908,923 97.568,924 200.109,925 84.908,926 35.301,928 70.802,929 63.72,930 22.096,931 2.328,932 188.338,934 200.109,935 182.476,939 94.169,940 105.94,943 50.168,944 82.074,945 50.234,947 200.109,948 84.908,949 97.568,952 200.109,953 15.744,954 83.601,956 83.131,957 200.109,958 84.908,959 97.568,961 0.607,962 0.341,963 0.185,964 0.114,965 19,966 9,967 0.048,968 2,969 1,970 1.133,971 3.128,972 171.834,973 0.133,974 15,975 83.484,981 13.872,982 4.728,983 2.351,984 1.585,985 83.131,986 9.724,987 13.257,991 3.529,992 1.912,993 32.897,994 382.585,995 31,1007 39.694,1008 45.398,1009 0.266,1010 0.665,1011 0.756,1012 0.774,1013 0.774,1014 0.774,1015 4.736,1016 1,1017 5.7,1018 3.275,1019 4.263,1020 4.856,1022 6.624,1023 4.194,1024 6.016,1025 0.926,1026 7.34,1027 2.386,1028 4.205,1029 4.89,1031 7.923,1032 4.114,1033 7.379,1034 -0.161,1035 9.092,1036 2.275,1037 6.019,1038 7.198,1040 10.999,1041 5.885,1042 8.781,1043 -0.314,1044 10.91,1045 -0.363,1046 6.723,1047 8.03,1049 13.076,1050 6.559,1051 10.214,1052 -0.796,1053 12.77,1054 -0.733,1055 8.123,1056 9.872,1058 15.77,1059 7.919,1060 11.671,1061 -1,1062 14.659,1063 -2.273,1064 9.134,1065 11.086,1067 18.13,1068 8.892,1069 13.147,1070 -1,1071 16.568,1072 -2.996,1073 10.404,1074 12.744,1076 20.712,1077 10.122,1078 3.485,1079 -1,1080 18.492,1081 -3,1082 11.542,1083 14.143,1085 23.179,1086 11.216,1087 3.04,1088 12.865,1089 20.428,1090 -3,1091 12.774,1092 15.73,1094 25.728,1095 12.407,1096 2.595,1097 10.827,1098 22.374,1099 4.75,1100 13.965,1101 17.215,1103 28.239,1104 13.552,1105 2.203,1106 8.066,1107 24.326,1108 3.683,1109 15.19,1110 18.778,1112 30.78,1113 14.735,1114 1.991,1115 6.158,1116 26.284,1117 3.45,1118 16.404,1119 20.302,1121 33.309,1122 15.903,1123 1.509,1124 6.004,1125 28.247,1126 2.959,1127 17.632,1128 21.858,1130 35.851,1131 17.087,1132 1.103,1133 4.073,1134 30.214,1135 2.593,1136 18.858,1137 23.399,1139 38.39,1140 18.268,1141 3654,1142 5641,1143 14.622,1144 26.358,1145 36.44,1146 35.577,1147 37.299,1148 35.695,1149 35.704,1150 48.008,1152 111.858,1153 34.461,1154 5.496,1155 5.574,1156 6.882,1157 5.517,1158 5.485,1159 7.75,1161 20.8,1162 5.341,1163 12.122,1164 1.584,1165 1.547,1166 1.622,1167 1.552,1168 1.552,1169 2.087,1171 4.863,1172 1.498,1173 4.139,1174 4.186,1175 4.121,1176 4.005,1177 5.256,1178 4.025,1179 3.859,1180 3.896,1181 3.792,1182 3.77,1183 4.886,1184 3.774,1185 3.646,1186 3.714,1187 3.524,1188 3.503,1189 4.705,1190 3.496,1191 3.272,1192 3.35,1193 3.176,1194 3.096,1195 4.491,1196 3.102,1197 3.073,1198 3.18,1199 2.925,1200 2.812,1201 4.174,1202 2.83,1203 2.965,1204 3.073,1205 2.81,1206 2.735,1207 3.827,1208 2.715,1209 2.874,1210 3.009,1211 2.687,1212 2.672,1213 3.674,1214 2.705,1215 2.874,1216 3.009,1217 2.499,1218 2.618,1219 3.652,1220 2.57,1221 0.209,1222 0.155,1223 0.32,1224 0.193,1225 0.152,1226 4.815,1227 0.207,1228 3.574,1230 7.354,1231 0.559,1232 4.444,1233 0.145,1234 3.485,1235 4.75,1237 12.865,1238 3.341,1239 1.951,1240 1.926,1241 2.052,1242 2.048,1243 1.2,1244 2.04,1245 1.829,1246 1.778,1247 1.991,1248 2.007,1249 1.166,1250 2.006,1251 1.671,1252 1.616,1253 1.801,1254 1.847,1255 0.884,1256 1.847,1257 1.273,1258 1.206,1259 1.538,1260 1.485,1261 0.596,1262 1.499,1263 1.001,1264 0.905,1265 1.417,1266 1.332,1267 0.469,1268 1.323,1269 0.934,1270 0.821,1271 1.417,1272 1.239,1273 0.469,1274 1.308,1275 0.934,1276 0.804,1277 1.221,1278 1.239,1279 0.218,1280 1.308,1281 0.886,1282 0.804,1283 1.181,1284 1.156,1285 0.176,1286 1.144,1287 3.85,1289 5.231,1290 2.398,1291 6.801,1292 4.844,1293 8.459,1294 7.096,1295 10.163,1297 8.344,1301 6.076,1310 -0.179,1314 24.795,1315 56.557,1316 141.493,1317 160.838,1318 164.838,1319 164.838,1320 164.838,1321 28.947,1322 6.839,1323 69.62,1324 69.62,1325 17,1326 12.598,1327 4.087,1328 3.17,1329 31.846,1330 56,1331 65,1332 0.293,1333 155.547,1334 252.1,1335 371.296,1336 6856,1338 15.198,1339 0.724,1340 0.607,1341 15.198,1342 12.753,1343 9.876,1344 0.429,1345 0.302,1346 6.867,1347 9.556,1348 6.493,1349 5.515,1350 9.876,1351 6.944,1352 10.041,1353 0.287,1354 0.179,1355 10.041,1356 6.255,1357 7.664,1358 0.167,1359 0.075,1360 7.664,1361 3.454,1362 6.533,1363 0.102,1364 0.037,1365 6.533,1366 2.356,1367 5.539,1368 0.065,1369 0.02,1370 5.539,1371 1.682,1372 0.431,1373 61.376,1374 0.262,1375 20.052,1376 0.9,1377 116,1378 285.893,1379 125.769,1380 288.997,1381 411.1,1382 270,1383 139,1384 326.645,1385 149.963,1386 335.94,1387 491.48,1388 313,1389 5.4}
{0 CHEMBL316264,1 1.53,2 9.16,3 4.659,4 21.71,5 91.68,6 8.773,7 0.821,8 3.767,9 3.869,10 3.474,11 3.408,12 5.03,13 3.408,14 4.223,15 4.347,16 3.834,17 3.768,18 5.523,19 3.76,20 4.453,21 4.632,22 3.842,23 3.829,24 5.712,25 3.802,26 4.43,27 4.627,28 3.76,29 3.768,30 5.611,31 3.737,32 4.41,33 4.615,34 3.76,35 3.8,36 5.495,37 3.757,38 4.386,39 4.565,40 3.787,41 3.83,42 5.643,43 3.774,44 4.41,45 4.587,46 3.721,47 3.827,48 5.632,49 3.755,50 4.457,51 4.691,52 3.513,53 3.689,54 5.595,55 3.584,56 0.06,57 0.669,58 4.99,59 3.097,60 5.994,61 3.373,62 0.127,63 1.072,64 8.683,65 5.018,66 9.164,67 5.518,68 0.297,69 1.335,70 14.837,71 6.811,72 40.403,73 7.545,74 0.335,75 1.256,76 15.107,77 6.197,78 43.54,79 6.873,80 0.273,81 1.146,82 14.799,83 6.03,84 29.018,85 7.349,86 0.357,87 1.215,88 13.238,89 6.284,90 35.88,91 7.739,92 0.223,93 1.225,94 13.659,95 7.221,96 26.262,97 8.751,98 0.247,99 1.201,100 17.896,101 7.959,102 30.707,103 10.194,104 5,105 39,106 0.268,107 0.509,108 0.646,109 0.734,110 0.771,111 0.799,112 3.268,113 0.828,114 -5.69,115 -5.56,116 -5.18,119 52.6,142 10,143 3,144 2,145 2,146 1,152 1,161 1,172 10,175 4,178 1,180 2,183 9,188 6,193 5,196 5,200 6,205 4,208 6,216 1,218 2,221 14,224 1,225 1,233 18,238 3,246 12,250 4,258 4,264 2,276 925,277 17.154,278 17.154,279 17.154,280 17.154,281 17.154,282 14.445,283 3.255,284 10.202,285 17.451,286 13.846,287 13.846,288 13.846,289 13.846,290 13.846,291 9.895,292 1.325,293 4.905,294 14.384,295 3.718,296 2.342,297 1.558,298 1.053,299 0.842,300 0.684,301 3.967,305 1,306 1,307 501,308 2,311 66.493,312 238.298,319 1.299,320 27.87,322 1,323 0.75,324 1,325 1,326 0.4,328 1,329 1,330 0.74,331 54.5,332 229,333 4.567,334 3.209,335 6.747,336 4.171,337 3.203,338 4.3,340 11.08,341 3.102,342 4.119,343 2.936,344 6.079,345 3.726,346 2.744,347 3.726,349 8.826,350 2.693,351 3.976,352 2.879,353 5.772,354 3.554,355 2.573,356 3.568,358 7.837,359 2.525,360 3.723,361 2.598,362 5.077,363 3.255,364 2.312,365 3.238,367 6.17,368 2.165,369 3.55,370 2.434,371 5.02,372 3.133,373 2.192,374 2.906,376 5.992,377 2.042,378 3.201,379 1.845,380 4.657,381 2.715,382 1.764,383 2.485,385 4.826,386 1.667,387 2.872,388 1.464,389 4.175,390 2.35,391 1.414,392 2.038,394 3.52,395 1.318,396 2.5,397 1.139,398 3.91,399 2,400 1.04,401 1.5,403 2.901,404 1,405 2.5,406 1,407 3.457,408 2,409 1,410 1.5,412 2.275,413 1,414 2.5,415 1,416 3.414,417 1.991,418 1,419 1.5,421 2.275,422 0.983,423 2.5,424 1,425 3.414,426 1.984,427 1,428 1.5,430 2.202,431 0.983,432 2.277,433 0.818,434 3.247,435 1.718,436 0.795,437 1.171,439 2.136,440 0.732,441 1.155,442 0.35,443 2.607,444 0.752,445 -0.16,446 -0.199,448 -0.356,449 -0.141,450 1.099,451 0.272,452 2.546,453 0.679,454 -0.232,455 -0.293,457 -0.521,458 -0.204,459 0.755,460 -0.604,461 2.223,462 0.309,463 -0.65,464 -0.865,466 -1.517,467 -0.619,468 11.771,469 0.471,470 0.554,471 0.022,472 38,473 1.52,474 22,475 0.88,476 16,477 0.64,478 15.139,479 0.606,480 24.829,481 0.653,482 27.311,483 1.092,484 7.821,485 0.313,486 4.382,487 0.175,488 0.049,490 0.34,494 2,496 0.565,497 0.876,498 0.612,499 0.85,500 0.525,501 0.774,502 0.657,503 0.99,504 0.769,505 1.026,506 0.584,507 0.961,508 1.038,509 1.06,510 1.017,511 1.024,512 0.98,513 1.014,514 1.003,515 0.93,516 1.092,517 0.922,518 0.874,519 0.981,520 0.558,521 0.635,522 0.868,523 0.759,524 0.372,525 0.84,526 0.402,527 0.599,528 0.874,529 0.928,530 0.434,531 1.016,532 0.607,533 0.924,534 0.981,535 1.211,536 0.725,537 1.229,538 0.672,539 0.967,540 1.006,541 1.205,542 0.721,543 1.218,544 4.5,545 0.07,546 2.889,547 1.16,548 1.386,549 1.077,550 0.375,551 0.28,552 0.294,553 0.195,554 6899,555 22729,556 2.154,557 34.2,559 10,561 2,562 1,567 1.687,568 2.055,569 3.168,570 -0.356,577 58.122,578 1.53,579 2.906,580 3.69,581 4.195,582 4.406,583 4.564,584 2.623,585 4.084,586 4.611,587 3.305,588 991.396,589 8.015,590 11822,592 1,595 199.421,596 1.26,597 4.592,598 0.161,599 0.008,600 0.074,601 0.031,602 0.04,603 0.03,604 0.01,605 0.008,606 0.012,607 0.011,608 0.385,609 0.67,610 0.88,611 0.477,612 118.685,613 -0.034,614 -0.041,615 0.026,616 0.013,617 -0.054,618 0.032,619 -0.013,620 -0.122,621 -0.053,622 -0.148,623 0.009,624 -0.127,625 -0.124,626 -0.1,627 -0.107,628 -0.076,629 -0.078,630 -0.082,631 -0.172,632 -0.029,633 -0.171,634 -0.011,635 -0.132,636 -0.059,637 -0.047,638 0.085,639 0.02,640 0.136,641 0.003,642 0.118,643 0.205,644 0.198,645 -0.021,646 0.002,647 0.121,648 -0.063,649 0.076,650 -0.095,651 -0.091,652 -0.222,653 -0.014,654 -0.221,655 0.039,656 -0.189,657 0.051,658 -0.174,659 0.008,660 -0.098,661 1.969,662 5.262,663 0.92,664 21.28,665 1.017,666 1.123,667 4.46,668 19.888,669 0.723,670 3.367,671 3.689,672 3.97,673 4.248,674 4.533,675 4.644,676 4.779,677 4.934,678 5.069,679 5.043,680 5.563,681 0.71,682 333.36,683 3.367,684 4.905,685 5.759,686 6.637,687 7.515,688 8.404,689 9.293,690 10.188,691 11.083,692 11.983,693 7.9,701 1,703 2,709 12,710 2,711 1,714 8,716 23,734 2,735 38,737 23,738 2,739 28,741 41,742 20,743 20,744 4,745 8,748 4,749 4,762 20,780 1,781 2,783 13,784 4,785 1,786 5,789 1,792 3,797 1,809 1,815 1,816 3,843 4,849 2,851 25,873 2,881 12.167,882 6.936,883 5.444,884 2.18,886 3.35,887 1.462,888 1.057,889 3.929,890 10.595,891 3.701,892 4.341,893 4.964,894 5.583,895 6.164,896 6.506,897 6.979,898 7.462,899 7.93,900 8.255,901 1,902 38,903 9.21,905 4.005,906 7.973,907 17.176,909 14.116,911 2.473,912 61.833,916 141.253,917 148.497,918 50.357,921 29.92,923 148.497,924 141.253,925 80.277,928 94.762,929 59.441,930 65.436,931 32.677,932 117.711,934 141.253,935 198.854,936 29.92,939 171.173,943 39.965,944 125.318,945 33.571,947 171.173,948 50.357,949 148.497,952 141.253,953 35.64,954 112.857,955 16.786,956 63.491,957 141.253,958 80.277,959 148.497,961 0.58,962 0.333,963 0.179,964 0.109,965 20,966 8,967 0.073,968 3,970 1,971 3.72,972 214.737,974 23,975 102.096,981 15.376,982 6.389,983 3.103,985 63.491,986 19.417,987 8.7,988 3.292,991 3.981,993 16.786,994 370.028,995 39.5,1007 38.632,1008 42.666,1009 0.291,1010 0.554,1011 0.703,1012 0.799,1013 0.84,1014 0.87,1015 4.911,1016 1.04,1017 5.733,1018 3.52,1019 4.369,1020 5.027,1022 6.535,1023 4.297,1024 6.128,1025 1,1026 7.281,1027 2.901,1028 3.892,1029 4.691,1031 7.413,1032 3.763,1033 7.43,1034 1,1035 8.93,1036 2.275,1037 5.948,1038 7.239,1040 10.53,1041 5.818,1042 8.769,1043 1,1044 10.641,1045 2.275,1046 6.312,1047 7.743,1049 12.285,1050 6.133,1051 10.14,1052 0.795,1053 12.392,1054 2.202,1055 7.818,1056 9.71,1058 14.917,1059 7.635,1060 11.534,1061 -0.16,1062 14.173,1063 2.136,1064 8.577,1065 10.631,1067 17.035,1068 8.351,1069 12.946,1070 -0.232,1071 15.976,1072 -0.356,1073 9.858,1074 12.329,1076 19.507,1077 9.62,1078 3.203,1079 -0.65,1080 17.796,1081 -0.521,1082 10.814,1083 13.48,1085 21.783,1086 10.537,1087 2.744,1088 11.08,1089 19.63,1090 -1.517,1091 12.004,1092 15.044,1094 24.201,1095 11.707,1096 2.573,1097 8.826,1098 21.474,1099 4.3,1100 13.058,1101 16.325,1103 26.546,1104 12.724,1105 2.312,1106 7.837,1107 23.327,1108 3.726,1109 14.214,1110 17.823,1112 28.949,1113 13.856,1114 2.192,1115 6.17,1116 25.188,1117 3.568,1118 15.318,1119 19.179,1121 31.324,1122 14.924,1123 1.764,1124 5.992,1125 27.054,1126 3.238,1127 16.466,1128 20.646,1130 33.723,1131 16.042,1132 1.414,1133 4.826,1134 28.926,1135 2.906,1136 17.594,1137 22.043,1139 36.113,1140 17.136,1141 6547,1142 11991,1143 19.186,1144 27.461,1145 42.715,1146 42.868,1147 43.082,1148 42.223,1149 42.072,1150 58.864,1152 120.077,1153 40.418,1154 5.262,1155 5.209,1156 6.549,1157 5.206,1158 5.203,1159 7.3,1161 18.235,1162 5.102,1163 9.29,1164 1.526,1165 1.531,1166 1.539,1167 1.508,1168 1.503,1169 2.102,1171 4.288,1172 1.444,1173 4.088,1174 4.125,1175 4.057,1176 3.986,1177 8.203,1178 3.998,1179 3.875,1180 3.901,1181 3.825,1182 3.81,1183 8.2,1184 3.809,1185 3.829,1186 3.866,1187 3.774,1188 3.741,1189 5.029,1190 3.743,1191 3.596,1192 3.653,1193 3.549,1194 3.413,1195 4.836,1196 3.441,1197 2.945,1198 2.98,1199 2.923,1200 2.815,1201 4.608,1202 2.83,1203 2.854,1204 2.925,1205 2.768,1206 2.735,1207 4.471,1208 2.715,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.777,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.674,1220 2.715,1221 0.163,1222 0.115,1223 0.241,1224 0.149,1225 0.114,1226 4.567,1227 0.154,1228 3.209,1230 6.747,1231 0.396,1232 4.171,1233 0.111,1234 3.203,1235 4.3,1237 11.08,1238 3.102,1239 1.926,1240 1.902,1241 2.012,1242 2.02,1243 1.119,1244 2.019,1245 1.901,1246 1.875,1247 1.994,1248 1.996,1249 1.079,1250 1.997,1251 1.811,1252 1.778,1253 1.921,1254 1.923,1255 0.97,1256 1.925,1257 1.298,1258 1.239,1259 1.419,1260 1.559,1261 0.465,1262 1.524,1263 1.214,1264 1.175,1265 1.267,1266 1.387,1267 0.327,1268 1.352,1269 0.886,1270 0.821,1271 1.181,1272 1.062,1273 0.218,1274 1.107,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.043,1289 5.361,1290 2.398,1291 6.876,1292 4.727,1293 8.474,1294 6.862,1295 10.115,1299 26.443,1314 26.992,1315 58.122,1316 110.428,1317 140.202,1318 159.421,1319 167.421,1320 173.421,1321 39.225,1322 7.245,1323 41.57,1324 41.57,1325 23,1326 12.507,1327 4.585,1328 3.644,1329 35.604,1330 81,1331 91,1332 0.214,1333 163.622,1334 277.62,1335 390.997,1336 11732,1337 5.3,1338 17.225,1339 0.689,1340 0.523,1341 15.485,1342 13.079,1343 12.204,1344 0.436,1345 0.276,1346 7.629,1347 11.773,1348 7.506,1349 6.2,1350 11.416,1351 7.728,1352 10.997,1353 0.282,1354 0.143,1355 9.753,1356 5.559,1357 9.348,1358 0.18,1359 0.075,1360 8.527,1361 3.908,1362 7.648,1363 0.111,1364 0.039,1365 7.344,1366 2.662,1367 6.576,1368 0.071,1369 0.02,1370 6.122,1371 1.845,1372 0.326,1373 76.27,1374 0.228,1375 23.908,1376 0.624,1377 134,1378 485.845,1379 147.212,1380 428.241,1381 577.74,1382 400,1383 158,1384 421.85,1385 170.176,1386 418.955,1387 611.76,1388 396,1389 5.1}
{0 CHEMBL31965,1 1.772,2 13.382,3 4.038,4 16.303,5 128.881,6 8.237,7 0.459,8 4.189,9 4.302,10 3.832,11 3.687,12 5.339,13 3.692,14 4.727,15 4.89,16 4.185,17 4.051,18 5.872,19 4.039,20 4.974,21 5.173,22 4.295,23 4.187,24 6.14,25 4.149,26 4.987,27 5.209,28 4.153,29 4.174,30 6.024,31 4.1,32 4.981,33 5.213,34 4.15,35 4.173,36 6.025,37 4.098,38 4.966,39 5.177,40 4.196,41 4.161,42 6.05,43 4.111,44 4.953,45 5.157,46 4.23,47 4.162,48 6.137,49 4.106,50 4.887,51 5.09,52 4.185,53 4.122,54 6.058,55 4.065,56 0.126,57 0.934,58 10.471,59 5.109,60 13.648,61 6.243,62 0.499,63 1.442,64 22.228,65 8.341,66 37.702,67 10.315,68 0.855,69 1.704,70 34.269,71 10.812,72 80.994,73 13.657,74 0.767,75 1.674,76 34.53,77 11.419,78 69.915,79 15.23,80 0.746,81 1.619,82 35.318,83 11.901,84 69.817,85 16.304,86 0.759,87 1.615,88 32.606,89 10.923,90 68.483,91 14.343,92 0.913,93 1.625,94 32.179,95 10.748,96 81.979,97 14.076,98 0.567,99 1.61,100 30.95,101 10.087,102 61.965,103 13.165,104 20,105 50,106 0.287,107 0.648,108 0.808,109 0.875,110 0.875,111 0.875,112 3.56,113 0.915,114 -4.06,115 -4.01,116 -3.8,119 40.7,121 1,125 6,134 1,135 1,142 5,143 1,144 5,146 1,147 1,148 1,158 1,172 3,174 1,175 7,178 2,180 5,183 3,187 1,188 4,191 1,193 5,196 3,199 2,200 5,203 1,205 2,208 5,212 1,213 5,216 2,217 1,218 1,221 7,224 1,225 6,228 1,233 7,237 3,238 5,241 2,243 3,246 3,249 1,250 7,255 3,258 2,263 1,264 5,269 1,272 2,276 2324,277 23.162,278 23.162,279 23.162,280 23.162,281 23.162,282 20.866,283 31.688,284 13.905,285 23.947,286 18.231,287 18.231,288 18.231,289 18.231,290 18.231,291 14.648,292 45.905,293 6.598,294 19.543,295 4.11,296 1.881,297 0.892,298 0.475,299 0.475,300 0.475,301 4.258,302 1,306 1,307 975,308 3.808,312 419.253,316 162.198,319 2.369,320 42.335,323 1,324 0.83,325 0.83,326 0.8,327 0.5,328 1,329 1,330 0.85,331 75.333,332 455,333 4.578,334 3.49,335 6.588,336 4.109,337 3.141,338 4.514,339 1.058,340 10.55,341 3.039,342 4.219,343 3.311,344 6.08,345 3.767,346 2.839,347 3.872,348 0.86,349 8.858,350 2.628,351 4.026,352 3.2,353 5.947,354 3.624,355 2.682,356 3.519,357 0.86,358 8.306,359 2.514,360 3.662,361 2.907,362 5.367,363 3.437,364 2.521,365 2.973,366 0.8,367 6.965,368 2.307,369 3.536,370 2.874,371 5.34,372 3.273,373 2.296,374 2.822,375 0.4,376 6.809,377 2.234,378 3.518,379 2.464,380 5.068,381 3.124,382 2.174,383 2.647,385 6.047,386 2.017,387 3.314,388 2.186,389 4.926,390 2.828,391 1.867,392 2.521,394 5.516,395 1.782,396 3.009,397 2.125,398 4.446,399 2.618,400 1.693,401 2.227,403 4.366,404 1.555,405 2.82,406 2.062,407 4.041,408 2.447,409 1.533,410 1.948,412 3.523,413 1.4,414 2.725,415 1.929,416 3.907,417 2.319,418 1.414,419 1.765,421 3.368,422 1.217,423 2.575,424 1.494,425 3.697,426 2.251,427 1.356,428 1.58,430 3.08,431 1.203,432 2.308,433 1.342,434 3.457,435 2.085,436 1.154,437 1.296,439 2.637,440 1.064,441 2.199,442 1.256,443 3.247,444 1.952,445 1,446 1,448 2.136,449 0.946,450 2,451 0.868,452 3.194,453 1.503,454 0.571,455 0.716,457 1.385,458 0.527,459 1.723,460 0.794,461 2.905,462 1.345,463 0.383,464 0.507,466 0.771,467 0.363,468 16,469 0.471,470 0.729,471 0.021,472 43.5,473 1.279,474 20.5,475 0.603,476 23,477 0.676,478 29.189,479 0.859,480 37.4,481 0.634,482 36.241,483 1.066,484 8.856,485 0.26,486 7.673,487 0.226,488 0.115,490 0.306,494 1,496 0.748,497 1.32,498 0.63,499 1.102,500 0.586,501 0.954,502 1.008,503 1.076,504 0.783,505 0.934,506 0.635,507 0.91,508 1.065,509 1.051,510 0.919,511 0.94,512 0.822,513 0.936,514 0.86,515 0.942,516 0.885,517 0.975,518 0.793,519 1.005,520 0.607,521 0.749,522 0.766,523 0.917,524 0.512,525 0.902,526 0.95,527 0.909,528 0.777,529 0.895,530 0.762,531 0.912,532 0.889,533 0.869,534 0.835,535 0.847,536 0.801,537 0.917,538 0.923,539 1.137,540 1.037,541 1.107,542 0.996,543 1.072,544 6.5,545 0.252,546 3.333,547 1.688,548 1.942,549 0.847,550 0.889,551 0.628,552 0.447,553 0.319,554 17155,555 54173,556 2.077,557 42.4,559 20,561 1,562 2,565 2,567 1.763,568 1.962,569 3.68,570 0.235,577 104.576,578 1.772,579 4.002,580 4.991,581 5.408,582 5.408,583 5.408,584 3.253,585 4.771,586 5.051,587 3.881,588 2176.99,589 8.882,590 34026.1,595 347.076,596 1.333,597 5.026,598 0.176,599 0.007,600 0.067,601 0.032,602 0.042,603 0.018,604 0.018,605 0.013,606 0.01,607 0.008,608 0.39,609 0.33,610 0.88,611 0.962,612 183.346,613 -0.062,614 -0.212,615 0.03,616 -0.1,617 -0.042,618 -0.021,619 -0.092,620 -0.051,621 0.002,622 0.018,623 0.023,624 0.01,625 -0.06,626 -0.05,627 0.006,628 0.02,629 0.057,630 0.012,631 -0.019,632 -0.011,633 -0.01,634 -0.013,635 -0.027,636 -0.02,637 0.126,638 0.083,639 0.111,640 0.054,641 0.107,642 0.112,643 -0.047,644 -0.014,645 0.05,646 0.055,647 -0.035,648 0.058,649 0.054,650 0.037,651 0.044,652 0.105,653 0.051,654 0.041,655 -0.084,656 -0.148,657 -0.064,658 -0.132,659 -0.047,660 -0.106,661 2.176,662 5.52,663 0.647,664 43.765,665 1.018,666 1.135,667 2.83,668 8.01,669 0.671,670 3.638,671 3.932,672 4.174,673 4.407,674 4.682,675 4.745,676 4.898,677 5.056,678 5.176,679 5.231,680 7.881,681 0.648,682 485.99,683 3.638,684 5.165,685 5.999,686 6.86,687 7.715,688 8.584,689 9.45,690 10.325,691 11.197,692 12.077,693 8.5,696 1,700 1,701 1,703 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 1,760 1,762 17,763 7,767 2,768 1,772 1,774 1,776 1,781 1,783 25,784 9,785 2,786 10,787 1,792 5,797 0.75,798 3,810 1,816 4,820 1,829 1,833 1,834 1,839 1,842 1,843 3,848 1,849 1,851 34,858 7,860 2,861 2,864 1,873 2,874 5.1,877 1,878 1,879 1,881 17.333,882 10.469,883 7.611,884 3.466,886 3.428,887 1.428,888 0.979,889 8.298,890 11.435,891 3.882,892 4.443,893 4.999,894 5.558,895 6.177,896 6.501,897 6.928,898 7.391,899 7.808,900 8.012,901 1,902 52,903 12.575,905 5.326,906 7.9,907 23.634,909 18.979,911 2.4,912 81.611,916 270.735,917 139,918 72.717,919 39.149,920 47.145,921 14.96,923 139,924 357.029,925 87.677,927 56.406,928 56.857,929 86.192,930 68.849,931 17.288,932 258.964,933 39.149,934 270.735,935 211.717,936 62.105,937 39.149,939 262.153,940 59.687,941 11,943 72.537,944 96.132,945 82.196,947 285.695,948 119.862,949 178.149,952 270.735,953 57.757,954 68.6,955 36.022,956 150.591,957 270.735,958 134.822,959 178.149,961 0.572,962 0.33,963 0.17,964 0.099,965 22,966 10,967 0.145,968 9,969 1,970 1.091,971 4.516,972 309.677,973 0.091,974 22,975 168.974,981 24.361,982 11.581,983 6.435,984 1.258,985 134.822,986 9.208,987 8.649,991 1.49,993 36.022,994 583.706,995 47.5,996 3.516,1000 12.051,1002 1.188,1004 -0.366,1007 60.047,1008 66.971,1009 0.301,1010 0.68,1011 0.848,1012 0.919,1013 0.919,1014 0.919,1015 5.107,1016 1.693,1017 5.964,1018 5.516,1019 4.615,1020 5.13,1021 2.012,1022 6.732,1023 4.485,1024 6.29,1025 1.533,1026 7.495,1027 4.366,1028 4.111,1029 4.945,1030 0.325,1031 7.535,1032 3.918,1033 7.583,1034 1.414,1035 9.125,1036 3.523,1037 6.168,1038 7.319,1039 1.826,1040 10.626,1041 5.935,1042 8.912,1043 1.356,1044 10.813,1045 3.368,1046 6.479,1047 7.982,1048 0.268,1049 12.263,1050 6.191,1051 10.276,1052 1.154,1053 12.54,1054 3.08,1055 7.986,1056 9.841,1057 1.742,1058 14.865,1059 7.661,1060 11.663,1061 1,1062 14.293,1063 2.637,1064 8.694,1065 10.914,1066 0.188,1067 16.873,1068 8.322,1069 13.07,1070 0.571,1071 16.065,1072 2.136,1073 9.967,1074 12.562,1075 1.707,1076 19.301,1077 9.561,1078 3.141,1079 0.383,1080 17.853,1081 1.385,1082 10.877,1083 13.844,1084 0.125,1085 21.484,1086 10.432,1087 2.839,1088 10.55,1089 19.653,1090 0.771,1091 12.05,1092 15.4,1093 1.708,1094 23.849,1095 11.573,1096 2.682,1097 8.858,1098 21.463,1099 4.514,1100 13.062,1101 16.788,1102 0.082,1103 26.115,1104 12.553,1105 2.521,1106 8.306,1107 23.281,1108 3.872,1109 14.195,1110 18.306,1111 1.735,1112 28.461,1113 13.656,1114 2.296,1115 6.965,1116 25.106,1117 3.519,1118 15.26,1119 19.748,1120 0.054,1121 30.768,1122 14.692,1123 2.174,1124 6.809,1125 26.938,1126 2.973,1127 16.38,1128 21.251,1129 1.783,1130 33.11,1131 15.785,1132 1.867,1133 6.047,1134 28.775,1135 2.822,1136 17.473,1137 22.721,1138 0.035,1139 35.438,1140 16.851,1141 16431,1142 29467,1143 24.849,1144 39.563,1145 54.543,1146 56.393,1147 55.64,1148 54.075,1149 53.92,1150 68.647,1151 7.957,1152 149.9,1153 50.172,1154 5.578,1155 5.49,1156 6.39,1157 5.212,1158 5.141,1159 7.514,1160 2.117,1161 17.491,1162 5.039,1163 16.082,1164 1.474,1165 1.524,1166 1.504,1167 1.461,1168 1.457,1169 1.855,1170 0.215,1171 4.051,1172 1.356,1173 4.085,1174 4.116,1175 4.077,1176 3.984,1177 8.201,1178 3.998,1179 3.89,1180 3.912,1181 3.982,1182 3.82,1183 7.43,1184 3.82,1185 3.821,1186 3.884,1187 3.698,1188 3.61,1189 5.088,1190 3.621,1191 3.643,1192 3.683,1193 3.588,1194 3.462,1195 4.858,1196 3.481,1197 3.539,1198 3.588,1199 3.433,1200 3.341,1201 4.692,1202 3.348,1203 3.366,1204 3.423,1205 3.333,1206 3.198,1207 4.638,1208 3.21,1209 3.118,1210 3.206,1211 3.237,1212 2.941,1213 4.619,1214 2.945,1215 3.111,1216 3.185,1217 3.013,1218 2.926,1219 4.368,1220 2.91,1221 0.124,1222 0.094,1223 0.178,1224 0.111,1225 0.085,1226 4.578,1227 0.122,1228 3.49,1229 0.029,1230 6.588,1231 0.285,1232 4.109,1233 0.082,1234 3.141,1235 4.514,1236 1.058,1237 10.55,1238 3.039,1239 2.013,1240 1.989,1241 2.064,1242 2.132,1243 1.292,1244 2.113,1245 1.856,1246 1.836,1247 1.976,1248 1.993,1249 1.193,1250 1.991,1251 1.754,1252 1.691,1253 1.925,1254 1.949,1255 1.069,1256 1.948,1257 1.57,1258 1.53,1259 1.776,1260 1.776,1261 1.033,1262 1.761,1263 1.504,1264 1.449,1265 1.744,1266 1.733,1267 0.825,1268 1.744,1269 1.313,1270 1.26,1271 1.513,1272 1.518,1273 0.566,1274 1.509,1275 1.153,1276 1.064,1277 1.445,1278 1.376,1279 0.499,1280 1.429,1281 1.041,1282 0.983,1283 1.27,1284 1.286,1285 0.396,1286 1.276,1287 4.317,1289 5.617,1291 7.112,1293 8.701,1295 10.342,1298 5.897,1299 13.52,1303 5.554,1305 5.913,1306 11.398,1309 2.334,1314 38.257,1315 104.576,1316 236.124,1317 294.447,1318 319.076,1319 319.076,1320 319.076,1321 70.861,1322 8.007,1323 88.61,1324 88.61,1325 24,1326 12.615,1327 4.322,1328 3.524,1329 56.733,1330 157,1331 178,1332 0.172,1333 237.63,1334 417.87,1335 571.578,1336 36201,1337 3.4,1338 23.916,1339 0.703,1340 0.567,1341 23.545,1342 19.277,1343 16.529,1344 0.447,1345 0.305,1346 10.725,1347 15.417,1348 10.537,1349 8.646,1350 16.407,1351 11.282,1352 14.513,1353 0.29,1354 0.162,1355 14.426,1356 8.098,1357 12.115,1358 0.189,1359 0.088,1360 11.715,1361 5.632,1362 9.491,1363 0.117,1364 0.047,1365 9.661,1366 3.771,1367 8.113,1368 0.076,1369 0.024,1370 8.022,1371 2.575,1372 0.271,1373 108.039,1374 0.201,1375 31.727,1376 0.466,1377 174,1378 619.122,1379 211.728,1380 590.4,1381 780.17,1382 552,1383 201,1384 533.473,1385 235.802,1386 539.07,1387 789.08,1388 507,1389 5}
{0 CHEMBL326282,1 1.683,2 9.28,3 5.555,4 30.854,5 98.576,6 10.613,7 0.607,8 3.747,9 3.811,10 3.608,11 3.473,12 4.95,13 3.444,14 4.262,15 4.354,16 4.073,17 3.916,18 5.46,19 3.869,20 4.597,21 4.727,22 4.224,23 4.085,24 5.809,25 4.02,26 4.629,27 4.766,28 4.282,29 4.024,30 6.017,31 3.952,32 4.578,33 4.742,34 3.941,35 3.902,36 5.792,37 3.812,38 4.416,39 4.594,40 4.01,41 3.748,42 5.746,43 3.669,44 4.188,45 4.334,46 3.741,47 3.585,48 5.448,49 3.481,50 3.917,51 4.043,52 3.836,53 3.365,54 5.458,55 3.294,56 0.1,57 0.411,58 2.558,59 2.641,60 13.863,61 2.996,62 0.159,63 0.706,64 5.674,65 4.832,66 20.689,67 5.773,68 0.417,69 1.002,70 19.055,71 7.83,72 56.008,73 8.615,74 0.65,75 1.033,76 23.168,77 8.332,78 87.349,79 9.156,80 0.591,81 0.996,82 22.983,83 8.552,84 82.047,85 8.787,86 0.533,87 0.839,88 19.882,89 7.632,90 68.562,91 8.795,92 0.417,93 0.615,94 20.833,95 6.023,96 56.543,97 6.236,98 0.426,99 0.445,100 12.707,101 4.45,102 52.231,103 4.849,104 26,105 42,106 0.299,107 0.665,108 0.771,109 0.887,110 0.906,111 0.906,112 3.268,113 0.95,114 -5.75,115 -5.62,116 -5.24,119 51.4,121 2,122 1,142 6,143 3,144 4,146 2,157 1,172 7,175 6,180 2,183 19,188 3,193 1,196 12,199 1,200 7,203 2,205 4,208 16,213 3,218 1,221 6,225 8,230 2,233 13,243 1,246 5,250 3,255 3,258 11,272 5,276 777,277 16.533,278 16.533,279 16.533,280 16.533,281 16.533,282 14.272,283 14.609,284 9.335,285 16.964,286 13.794,287 13.794,288 13.794,289 13.794,290 13.794,291 10.338,292 11.645,293 4.439,294 14.651,295 3.527,296 1.463,297 0.872,298 0.216,299 0.108,300 0.108,301 3.961,302 3,305 1,306 1,307 508,308 2.345,312 214.384,316 163.104,319 1.411,320 35.535,323 0.75,324 0.83,325 1,326 0.4,327 0.5,328 1,329 1,330 0.78,331 53.5,332 232,333 4.684,334 3.729,335 6.922,336 4.281,337 3.295,338 4.598,339 1.277,340 11.584,341 3.247,342 4.322,343 3.332,344 6.468,345 3.96,346 2.997,347 3.933,349 10.031,350 2.884,351 4.097,352 3.154,353 6.16,354 3.668,355 2.693,356 3.667,358 8.934,359 2.612,360 3.632,361 2.845,362 5.391,363 3.235,364 2.32,365 2.99,367 6.787,368 2.083,369 3.502,370 2.819,371 5.207,372 3.036,373 2.132,374 2.834,376 6.318,377 1.966,378 3.445,379 2.535,380 5.016,381 3.021,382 2.06,383 2.781,385 5.844,386 1.861,387 3.111,388 2.249,389 4.799,390 2.678,391 1.763,392 2.261,394 5.081,395 1.577,396 2.979,397 2.106,398 4.664,399 2.567,400 1.628,401 2.102,403 4.601,404 1.411,405 2.643,406 1.374,407 4.049,408 2.217,409 1.246,410 1.693,412 3.295,413 1.175,414 2.432,415 1.227,416 3.829,417 2.003,418 1.035,419 1.394,421 2.643,422 0.981,423 1.406,424 0.81,425 3.128,426 1.004,427 0.083,428 0.1,430 0.212,431 0.065,432 1.345,433 0.554,434 2.955,435 0.933,441 1.215,442 0.36,443 2.611,444 0.755,445 -0.157,446 -0.206,448 -0.387,449 -0.116,450 0.976,451 0.256,452 2.58,453 0.599,454 -0.345,455 -0.424,457 -0.844,458 -0.293,459 0.796,460 0.191,461 2.359,462 0.294,463 -0.515,464 -0.621,466 -1.242,467 -0.298,468 12.71,469 0.508,470 0.822,471 0.033,472 33.75,473 1.35,474 18,475 0.72,476 15.75,477 0.63,478 21.538,479 0.862,480 25.09,481 0.678,482 23.809,483 0.952,484 6.335,485 0.253,486 5.6,487 0.224,488 0.221,490 0.433,496 0.635,497 0.906,498 0.476,499 0.641,500 0.661,501 0.665,502 0.584,503 1.123,504 0.543,505 0.808,506 0.551,507 0.824,508 0.997,509 1.112,510 0.921,511 1,512 0.993,513 0.999,514 0.875,515 1.14,516 0.832,517 1.077,518 0.957,519 1.1,520 1.336,521 0.97,522 0.98,523 0.983,524 1.482,525 1.083,526 0.8,527 0.977,528 0.695,529 0.913,530 0.96,531 0.892,532 1.484,533 0.898,534 1.453,535 1.106,536 1.543,537 1.098,538 0.745,539 0.869,540 0.971,541 1.015,542 0.713,543 0.873,544 6,545 0.082,546 3.333,547 2.688,548 2.187,549 1.188,550 0.624,551 0.514,552 0.246,553 0.171,554 6606,555 25253,556 2.081,557 32.4,558 1,559 6,562 1,563 4,567 1.683,568 1.899,569 3.179,570 -0.317,577 62.265,578 1.683,579 3.746,580 4.337,581 4.993,582 5.101,583 5.101,584 2.668,585 4.644,586 4.616,587 3.307,588 992.152,589 8,590 11407.4,595 192.75,596 1.516,597 4.552,598 0.214,599 0.007,600 0.079,601 0.058,602 0.052,603 0.036,604 0.02,605 0.021,606 0.011,607 0.011,608 0.512,609 0.67,610 0.88,611 0.65,612 117.939,613 -0.058,614 0.054,615 -0.009,616 0.07,617 -0.071,618 0.057,619 0.001,620 -0.153,621 0.031,622 -0.035,623 0.029,624 -0.021,625 -0.143,626 -0.101,627 -0.115,628 -0.104,629 -0.121,630 -0.093,631 0.132,632 -0.121,633 0.006,634 -0.141,635 0.117,636 -0.164,637 -0.267,638 0.049,639 -0.147,640 0.01,641 -0.273,642 -0.079,643 0.173,644 0.025,645 0.197,646 0.116,647 0.156,648 0.183,649 -0.317,650 0.062,651 -0.27,652 -0.058,653 -0.31,654 -0.082,655 0.423,656 0.054,657 0.223,658 0.026,659 0.393,660 0.137,661 1.806,662 5.684,663 0.8,664 19.05,665 1.025,666 1.099,667 4.524,668 20.465,669 0.779,670 3.367,671 3.761,672 4.078,673 4.407,674 4.682,675 4.86,676 4.977,677 5.209,678 5.293,679 5.384,680 5.445,681 0.747,682 392.67,683 3.367,684 4.949,685 5.832,686 6.749,687 7.647,688 8.569,689 9.474,690 10.399,691 11.307,692 12.234,693 2.7,703 1,708 2,709 6,710 1,714 7,716 17,721 1,732 1,734 3,735 37,737 18,738 2,739 28,741 40,742 19,743 15,744 6,745 6,746 1,748 4,749 7,750 3,757 2,758 1,760 2,762 16,763 3,764 1,767 1,772 1,776 1,783 12,784 3,785 1,786 6,787 3,792 1,797 0.5,798 2,809 1,816 4,820 2,843 2,848 3,851 25,857 1,858 2,863 1,873 3,874 5.4,876 1,877 1,881 13.167,882 6.829,883 5.278,884 2.229,886 3.477,887 1.45,888 1.001,889 4.205,890 11.195,891 3.651,892 4.344,893 4.978,894 5.613,895 6.214,896 6.596,897 6.959,898 7.442,899 7.801,900 8.038,901 1,902 46,903 9.28,905 4.205,906 7.953,907 17.331,909 14.981,911 2.453,912 61.333,916 129.482,917 91.407,918 16.786,919 117.446,920 67.828,923 91.407,924 314.756,925 16.786,927 5.069,928 56.857,929 89.747,930 24.347,932 129.482,933 117.446,934 129.482,935 108.192,936 67.828,937 117.446,939 129.482,940 67.828,943 9.97,944 81.437,945 134.231,947 129.482,948 84.614,949 208.853,952 129.482,953 34.549,954 56.857,956 202.06,957 129.482,958 84.614,959 208.853,961 0.603,962 0.359,963 0.2,964 0.11,965 23,966 11,967 0.025,968 1,969 2,970 1.2,971 3.548,972 224.004,973 0.2,974 20,975 112.096,981 16.8,982 6.258,983 2.915,984 1.096,985 84.614,986 10.292,987 4.576,991 3.309,993 42.683,994 422.949,995 37.5,1000 12.684,1004 -0.14,1007 37.913,1008 40.656,1009 0.323,1010 0.719,1011 0.833,1012 0.958,1013 0.979,1014 0.979,1015 4.922,1016 1.628,1017 5.861,1018 5.081,1019 4.443,1020 5.03,1021 1.45,1022 6.739,1023 4.339,1024 6.177,1025 1.246,1026 7.466,1027 4.601,1028 4.205,1029 5.037,1031 7.743,1032 4.007,1033 7.521,1034 1.035,1035 9.166,1036 3.295,1037 6.107,1038 7.331,1039 1.845,1040 10.883,1041 5.954,1042 8.898,1043 0.083,1044 10.921,1045 2.643,1046 6.621,1047 8.101,1049 12.685,1050 6.412,1051 10.302,1053 12.71,1054 0.212,1055 8.055,1056 9.927,1057 2.271,1058 15.366,1059 7.872,1060 11.727,1061 -0.157,1062 14.524,1064 8.921,1065 11.067,1067 17.517,1068 8.705,1069 13.17,1070 -0.345,1071 16.358,1072 -0.387,1073 10.179,1074 12.703,1075 2.72,1076 20.033,1077 9.971,1078 3.295,1079 -0.515,1080 18.206,1081 -0.844,1082 11.209,1083 14.029,1085 22.338,1086 10.98,1087 2.997,1088 11.584,1089 20.066,1090 -1.242,1091 12.401,1092 15.586,1093 3.184,1094 24.795,1095 12.17,1096 2.693,1097 10.031,1098 21.936,1099 4.598,1100 13.507,1101 17.005,1103 27.169,1104 13.26,1105 2.32,1106 8.934,1107 23.814,1108 3.933,1109 14.679,1110 18.531,1111 3.658,1112 29.607,1113 14.424,1114 2.132,1115 6.787,1116 25.698,1117 3.667,1118 15.819,1119 19.997,1121 32.013,1122 15.551,1123 2.06,1124 6.318,1125 27.589,1126 2.99,1127 16.987,1128 21.513,1129 4.138,1130 34.447,1131 16.71,1132 1.763,1133 5.844,1134 29.483,1135 2.834,1136 18.145,1137 23.004,1139 36.869,1140 17.855,1141 6320,1142 12443,1143 18.323,1144 28.818,1145 43.054,1146 44.919,1147 45.266,1148 42.922,1149 42.502,1150 56.704,1151 2.555,1152 130.659,1153 39.727,1154 5.63,1155 5.729,1156 6.207,1157 5.324,1158 5.295,1159 7.598,1160 2.555,1161 19.16,1162 5.247,1163 13.876,1164 1.538,1165 1.604,1166 1.617,1167 1.533,1168 1.518,1169 2.025,1170 0.091,1171 4.666,1172 1.419,1173 4.119,1174 4.137,1175 4.15,1176 4.051,1177 7.427,1178 4.056,1179 3.926,1180 3.942,1181 4.072,1182 3.888,1183 6.468,1184 3.878,1185 3.685,1186 3.705,1187 3.789,1188 3.611,1189 5.025,1190 3.606,1191 3.273,1192 3.297,1193 3.593,1194 3.182,1195 4.987,1196 3.174,1197 3.159,1198 3.198,1199 3.417,1200 2.964,1201 4.636,1202 2.982,1203 2.954,1204 2.985,1205 3.129,1206 2.844,1207 4.612,1208 2.833,1209 2.879,1210 2.922,1211 3.037,1212 2.79,1213 4.165,1214 2.766,1215 2.777,1216 2.818,1217 2.844,1218 2.676,1219 4.055,1220 2.656,1221 0.167,1222 0.133,1223 0.247,1224 0.153,1225 0.118,1226 4.684,1227 0.164,1228 3.729,1229 0.046,1230 6.922,1231 0.414,1232 4.281,1233 0.116,1234 3.295,1235 4.598,1236 1.277,1237 11.584,1238 3.247,1239 2.066,1240 2.049,1241 2.125,1242 2.151,1243 1.403,1244 2.146,1245 1.913,1246 1.897,1247 1.982,1248 1.972,1249 1.17,1250 1.987,1251 1.665,1252 1.644,1253 1.778,1254 1.764,1255 0.953,1256 1.778,1257 1.236,1258 1.213,1259 1.368,1260 1.377,1261 0.588,1262 1.38,1263 1.095,1264 1.048,1265 1.323,1266 1.326,1267 0.502,1268 1.324,1269 0.909,1270 0.872,1271 1.146,1272 1.105,1273 0.206,1274 1.115,1275 0.868,1276 0.824,1277 1.1,1278 1.018,1279 0.172,1280 1.061,1281 0.759,1282 0.725,1283 0.885,1284 0.912,1285 0.074,1286 0.918,1287 4.043,1289 5.416,1291 6.993,1293 8.67,1295 10.399,1298 18.284,1302 10.557,1303 0.779,1308 -0.103,1314 27.621,1315 62.265,1316 138.611,1317 160.485,1318 184.75,1319 188.75,1320 188.75,1321 53.508,1322 7.718,1323 50.19,1324 50.19,1325 24,1326 12.741,1327 4.248,1328 3.392,1329 35.811,1330 83,1331 85,1332 0.221,1333 176.89,1334 305.57,1335 423.372,1336 22192,1337 8.1,1338 17.715,1339 0.709,1340 0.606,1341 19.215,1342 15.16,1343 11.936,1344 0.426,1345 0.317,1346 7.776,1347 10.833,1348 7.514,1349 6.096,1350 12.802,1351 8.864,1352 11.543,1353 0.275,1354 0.177,1355 12.73,1356 7.418,1357 9.776,1358 0.169,1359 0.092,1360 10.632,1361 5.346,1362 8.841,1363 0.109,1364 0.051,1365 9.824,1366 4.124,1367 6.913,1368 0.065,1369 0.027,1370 7.514,1371 2.839,1372 0.337,1373 82.703,1374 0.234,1375 23.676,1376 0.641,1377 140,1378 422.14,1379 192.819,1380 502.744,1381 652.27,1382 464,1383 170,1384 406.072,1385 207.878,1386 442.538,1387 653.57,1388 418,1389 5.1}
{0 CHEMBL336961,1 1.688,2 6.8,3 2.949,4 8.697,5 78.998,6 10.939,7 0.696,8 3.56,9 3.658,10 3.461,11 3.237,12 4.723,13 3.221,14 4.055,15 4.17,16 3.923,17 3.665,18 5.226,19 3.629,20 4.342,21 4.492,22 4.027,23 3.829,24 5.485,25 3.772,26 4.359,27 4.539,28 3.957,29 3.753,30 5.478,31 3.69,32 4.252,33 4.436,34 3.966,35 3.621,36 5.492,37 3.549,38 4.098,39 4.298,40 3.591,41 3.412,42 5.243,43 3.277,44 3.686,45 3.895,46 3.742,47 3,48 4.909,49 2.871,50 3.16,51 3.4,52 2.892,53 2.522,54 4.059,55 2.256,56 0.049,57 0.43,58 1.818,59 2.178,60 4.719,61 2.323,62 0.111,63 0.7,64 3.851,65 3.955,66 11.693,67 4.457,68 0.256,69 0.943,70 16.952,71 6.06,72 28.088,73 6.135,74 0.216,75 0.975,76 14.124,77 6.116,78 20.456,79 6.628,80 0.303,81 0.832,82 12.044,83 5.645,84 32.3,85 6.196,86 0.23,87 0.667,88 24.521,89 6.154,90 30.622,91 6.368,92 0.225,93 0.422,94 13.595,95 4.015,96 25.283,97 4.185,98 0.085,99 0.239,100 10.575,101 2.841,102 10.901,103 3.203,104 5,105 34,106 0.313,107 0.718,108 0.826,109 0.898,110 0.898,111 0.898,112 3.061,113 0.922,114 -3.66,115 -3.63,116 -3.45,117 1,119 50,121 1,142 5,143 2,144 2,145 1,146 1,152 2,158 1,172 5,175 2,178 1,180 5,183 6,188 3,191 2,193 5,196 6,200 4,204 1,205 2,208 5,212 1,213 4,216 1,218 3,221 5,225 2,230 1,233 3,238 3,243 2,246 3,258 2,272 1,276 374,277 13.671,278 13.671,279 13.671,280 13.671,281 13.671,282 11.645,283 12.06,284 7.934,285 13.969,286 11.397,287 11.397,288 11.397,289 11.397,290 11.397,291 8.281,292 15.404,293 3.815,294 11.942,295 3.219,296 1.037,297 0.454,298 0.067,299 0.067,300 0.067,301 3.762,304 1,305 1,306 1,307 305,308 2,311 19.565,312 60.039,313 30.913,315 41.359,316 42.873,317 52.459,319 1.04,320 17.09,323 1,324 0.83,325 1,326 0.4,328 1,329 1,330 0.75,331 42.25,332 136,333 4.708,334 3.676,335 6.927,336 4.283,337 3.305,338 4.64,339 1.987,340 11.72,341 3.232,342 4.224,343 3.255,344 6.304,345 3.79,346 2.822,347 3.88,348 0.324,349 9.5,350 2.727,351 3.681,352 2.915,353 5.482,354 3.297,355 2.298,356 3.131,358 6.856,359 2.293,360 3.615,361 2.704,362 5.241,363 3.2,364 2.28,365 2.843,367 6.537,368 2.086,369 3.327,370 2.121,371 4.95,372 2.843,373 1.922,374 2.638,376 5.72,377 1.659,378 3.08,379 1.797,380 4.659,381 2.598,382 1.616,383 2.328,385 4.647,386 1.564,387 2.854,388 1.509,389 4.033,390 2.362,391 1.397,392 1.995,394 3.173,395 1.343,396 2.577,397 1.222,398 3.682,399 2.059,400 1.092,401 1.608,403 2.872,404 1.05,405 2.196,406 0.973,407 3.506,408 1.718,409 0.756,410 1.061,412 1.974,413 0.711,414 1.375,415 0.64,416 2.924,417 0.952,423 1.215,424 0.336,425 2.746,426 0.904,427 -0.026,428 -0.031,430 -0.07,431 -0.023,432 0.812,433 0.101,434 2.397,435 0.329,436 -0.578,437 -0.73,439 -1.538,440 -0.384,441 0.696,442 -0.346,443 2.276,444 0.218,445 -0.745,446 -1.069,448 -1.887,449 -0.743,450 0.579,451 -0.8,452 2,453 0.076,454 -0.923,455 -1.363,457 -2.448,458 -0.891,459 0.458,460 -0.906,461 2,462 -0.009,463 -1,464 -1.427,466 -2.743,467 -0.983,468 10.367,469 0.518,470 0.538,471 0.027,472 29.25,473 1.463,474 16,475 0.8,476 13.25,477 0.663,478 14.477,479 0.724,480 19.033,481 0.634,482 17.546,483 0.877,484 5.518,485 0.276,486 4.203,487 0.21,488 0.161,490 0.386,496 0.749,497 1.033,498 0.45,499 0.629,500 0.552,501 0.655,502 0.612,503 1.173,504 0.533,505 0.788,506 0.547,507 0.837,508 1.125,509 0.988,510 0.89,511 0.92,512 1.108,513 0.957,514 1.014,515 1.131,516 0.671,517 0.929,518 0.864,519 1.01,520 1.006,521 0.932,522 0.664,523 0.841,524 1.114,525 0.929,526 1.396,527 0.983,528 1.375,529 1.23,530 1.533,531 1.208,532 0.989,533 0.876,534 1.305,535 1.187,536 1.377,537 1.023,538 0.898,539 0.83,540 1.862,541 1.334,542 0.888,543 1.342,544 4,546 2.222,547 1.826,548 1.456,549 0.73,550 0.281,551 0.175,552 0.037,553 0.016,554 3458,555 11005,556 2.195,557 33.3,559 5,561 1,562 2,563 2,567 1.626,568 2.069,569 2.781,570 0.361,572 1,574 1,577 50.629,578 1.688,579 3.87,580 4.453,581 4.84,582 4.84,583 4.84,584 2.246,585 4.022,586 4.298,587 2.849,588 541.358,589 7.383,590 5219.63,591 1,592 1,593 1,594 1,595 147.207,596 1.361,597 4.262,598 0.174,600 0.065,601 0.049,602 0.044,603 0.026,604 0.016,605 0.015,606 0.009,607 0.016,608 0.414,609 0.67,610 1,611 0.548,612 84.831,613 -0.108,614 -0.001,615 -0.005,616 0.05,617 -0.064,618 0.063,619 0.078,620 -0.174,621 0.008,622 -0.047,623 0.033,624 -0.055,625 -0.15,626 0.029,627 -0.098,628 -0.057,629 -0.156,630 -0.097,631 -0.091,632 -0.102,633 -0.027,634 -0.09,635 -0.033,636 -0.104,637 0.108,638 0.061,639 0.056,640 0.058,641 0.105,642 0.025,643 -0.223,644 -0.086,645 -0.141,646 -0.116,647 -0.151,648 -0.125,649 0.251,650 0.01,651 0.182,652 0.031,653 0.047,654 0.128,655 -0.065,656 -0.032,657 -0.054,658 0.04,659 -0.103,660 -0.042,661 1.682,662 5.071,663 0.9,664 11.04,665 1.013,666 1.107,667 2.427,668 5.888,669 0.762,670 3.178,671 3.555,672 3.892,673 4.263,674 4.575,675 4.745,676 4.92,677 5.063,678 5.136,679 5.136,680 4.163,681 0.73,682 328.18,683 3.178,684 4.745,685 5.631,686 6.55,687 7.46,688 8.385,689 9.305,690 10.232,691 11.156,692 12.085,693 10,700 1,701 1,703 1,708 2,709 6,710 1,711 1,714 5,716 16,734 1,735 30,737 17,738 1,739 23,740 1,741 33,742 15,743 13,744 3,745 3,748 4,749 10,757 1,760 1,762 14,763 1,767 1,772 1,776 1,779 1,780 1,783 10,784 3,785 2,786 5,787 1,792 3,797 0.25,798 1,809 1,811 1,815 1,816 2,817 1,819 1,820 1,821 1,829 1,843 1,846 1,851 20,858 1,860 1,873 1,874 3.3,877 1,881 9.667,882 5.51,883 4.222,884 1.757,886 3.453,887 1.464,888 1.096,889 2.605,890 10.894,891 3.497,892 4.186,893 4.847,894 5.551,895 6.169,896 6.592,897 7.091,898 7.551,899 7.852,900 8.167,901 0.8,902 37,903 7.375,905 3.269,906 7.729,907 14.079,909 12.078,911 2.229,912 44.583,913 0.001,916 94.169,917 82.896,918 97.536,920 25.145,923 128.85,924 119.314,925 51.582,927 20.545,928 47.381,929 58.406,930 40.16,931 4.901,932 82.398,933 45.954,934 94.169,935 134.478,936 25.145,938 45.954,939 94.169,940 25.145,943 49.135,944 68.557,945 16.786,946 45.954,947 94.169,948 76.727,949 128.85,952 94.169,953 26.467,954 56.429,955 80.75,956 41.93,957 94.169,958 76.727,959 128.85,961 0.592,962 0.35,963 0.208,964 0.128,965 20,966 8,969 3,970 1.333,971 3.158,972 169.736,973 0.333,974 18,975 86.439,981 11.975,982 4.351,983 1.867,984 2.076,985 59.941,986 11.458,987 4.415,988 3.384,991 4.462,993 34.796,994 299.746,995 32,1000 12.071,1004 -0.015,1007 30.396,1008 33.207,1009 0.344,1010 0.789,1011 0.908,1012 0.986,1013 0.986,1014 0.986,1015 4.745,1016 1.092,1017 5.638,1018 3.173,1019 4.234,1020 4.871,1021 2.076,1022 6.512,1023 4.153,1024 5.989,1025 0.756,1026 7.228,1027 2.872,1028 3.892,1029 4.796,1030 1.593,1031 7.496,1032 3.758,1033 7.326,1035 8.917,1036 1.974,1037 5.878,1038 7.178,1039 3.1,1040 10.664,1041 5.744,1042 8.699,1043 -0.026,1044 10.666,1046 6.347,1047 7.935,1048 3.168,1049 12.507,1050 6.182,1051 10.105,1052 -0.578,1053 12.454,1054 -0.07,1055 7.826,1056 9.804,1057 4.312,1058 15.196,1059 7.652,1060 11.535,1061 -0.745,1062 14.27,1063 -1.538,1064 8.682,1065 10.966,1066 4.654,1067 17.399,1068 8.486,1069 12.985,1070 -0.923,1071 16.108,1072 -1.887,1073 9.964,1074 12.626,1075 5.601,1076 19.927,1077 9.753,1078 3.305,1079 -1,1080 17.962,1081 -2.448,1082 11.001,1083 13.984,1084 6.091,1085 22.277,1086 10.769,1087 2.822,1088 11.72,1089 19.829,1090 -2.743,1091 12.211,1092 15.559,1093 6.927,1094 24.752,1095 11.961,1096 2.298,1097 9.5,1098 21.707,1099 4.64,1100 13.329,1101 17.009,1102 7.5,1103 27.162,1104 13.059,1105 2.28,1106 6.856,1107 23.594,1108 3.88,1109 14.516,1110 18.551,1111 8.273,1112 29.622,1113 14.227,1114 1.922,1115 6.537,1116 25.488,1117 3.131,1118 15.671,1119 20.043,1120 8.894,1121 32.057,1122 15.362,1123 1.616,1124 5.72,1125 27.387,1126 2.843,1127 16.854,1128 21.574,1129 9.631,1130 34.513,1131 16.524,1132 1.397,1133 4.647,1134 29.291,1135 2.638,1136 18.026,1137 23.085,1138 10.279,1139 36.96,1140 17.675,1141 3273,1142 5922,1143 15.72,1144 22.87,1145 35.481,1146 36.517,1147 36.35,1148 35.162,1149 34.978,1150 48.248,1151 4.622,1152 105.998,1153 33.33,1154 5.58,1155 5.676,1156 6.608,1157 5.332,1158 5.305,1159 7.64,1160 3.497,1161 19.268,1162 5.232,1163 7.44,1164 1.543,1165 1.588,1166 1.58,1167 1.529,1168 1.521,1169 2.098,1170 0.201,1171 4.609,1172 1.449,1173 4.167,1174 4.196,1175 6.88,1176 4.09,1177 7.429,1178 4.095,1179 3.837,1180 3.874,1181 4.114,1182 3.744,1183 5.007,1184 3.747,1185 3.507,1186 3.542,1187 3.766,1188 3.402,1189 4.794,1190 3.388,1191 3.324,1192 3.369,1193 3.413,1194 3.144,1195 4.269,1196 3.159,1197 2.962,1198 3.03,1199 3.142,1200 2.829,1201 4.007,1202 2.821,1203 2.817,1204 2.875,1205 2.831,1206 2.727,1207 3.804,1208 2.705,1209 2.693,1210 2.762,1211 2.663,1212 2.533,1213 3.669,1214 2.533,1215 2.464,1216 2.537,1217 2.568,1218 2.22,1219 3.413,1220 2.223,1221 0.205,1222 0.16,1223 0.301,1224 0.186,1225 0.144,1226 4.708,1227 0.202,1228 3.676,1229 0.086,1230 6.927,1231 0.51,1232 4.283,1233 0.141,1234 3.305,1235 4.64,1236 1.987,1237 11.72,1238 3.232,1239 1.935,1240 1.918,1241 1.989,1242 2.015,1243 1.198,1244 2.012,1245 1.851,1246 1.816,1247 1.934,1248 1.966,1249 1.018,1250 1.964,1251 1.596,1252 1.558,1253 1.733,1254 1.787,1255 0.901,1256 1.77,1257 1.234,1258 1.187,1259 1.383,1260 1.462,1261 0.46,1262 1.447,1263 0.981,1264 0.945,1265 1.126,1266 1.162,1267 0.217,1268 1.171,1269 0.811,1270 0.756,1271 1.077,1272 0.981,1273 0.168,1274 1.02,1275 0.692,1276 0.623,1277 0.915,1278 0.912,1279 0.002,1280 0.925,1281 0.38,1282 0.32,1283 0.725,1284 0.652,1286 0.695,1287 3.85,1289 5.209,1290 2.398,1291 6.76,1292 4.949,1293 8.402,1294 7.222,1295 10.094,1296 3.481,1303 0.349,1305 2.902,1314 21.911,1315 50.629,1316 116.087,1317 133.597,1318 145.207,1319 145.207,1320 145.207,1321 24.634,1322 7.441,1323 57.78,1324 57.78,1325 24,1326 12.588,1327 4.17,1328 3.322,1329 25.901,1330 52,1331 47,1332 0.268,1333 137.956,1334 225.87,1335 328.372,1336 15852,1337 3.3,1338 13.69,1339 0.684,1340 0.6,1341 14.69,1342 11.991,1343 9.72,1344 0.423,1345 0.307,1346 6.26,1347 8.887,1348 6.097,1349 4.988,1350 10.298,1351 7.068,1352 9.191,1353 0.27,1354 0.168,1355 10.007,1356 5.709,1357 7.883,1358 0.164,1359 0.084,1360 8.407,1361 4.017,1362 7.159,1363 0.102,1364 0.043,1365 7.598,1366 3.027,1367 6.396,1368 0.067,1369 0.024,1370 6.977,1371 2.319,1372 0.391,1373 68.542,1374 0.252,1375 19.022,1376 0.836,1377 114,1378 318.701,1379 187.913,1380 351.343,1381 478.33,1382 328,1383 139,1384 334.342,1385 175.475,1386 352.735,1387 521.47,1388 334,1389 5.1}
{0 CHEMBL340384,1 1.701,2 9.286,3 2.888,4 8.339,5 105.583,6 9.329,7 0.581,8 3.871,9 3.959,10 3.616,11 3.502,12 5.17,13 3.505,14 4.316,15 4.418,16 4.018,17 3.897,18 5.649,19 3.888,20 4.599,21 4.726,22 4.178,23 4.061,24 5.903,25 4.04,26 4.673,27 4.813,28 4.206,29 4.08,30 6.119,31 4.037,32 4.677,33 4.844,34 4.107,35 4.089,36 5.89,37 4.026,38 4.636,39 4.795,40 4.145,41 4.041,42 5.931,43 3.997,44 4.632,45 4.783,46 4.142,47 3.933,48 6.114,49 3.902,50 4.506,51 4.685,52 3.766,53 3.731,54 5.833,55 3.67,56 0.119,57 0.568,58 5.051,59 3.232,60 16.559,61 3.278,62 0.202,63 0.883,64 8.639,65 5.27,66 27.477,67 5.671,68 0.379,69 1.125,70 15.925,71 7.447,72 47.228,73 7.748,74 0.651,75 1.197,76 19.079,77 8.343,78 87.525,79 9.104,80 0.46,81 1.19,82 22.914,83 9.091,84 60.527,85 10.514,86 0.352,87 1.167,88 18.72,89 8.256,90 44.038,91 9.325,92 0.621,93 1.112,94 21.32,95 8.155,96 84.39,97 8.369,98 0.476,99 0.952,100 21.677,101 7.88,102 78.645,103 8.525,104 27,105 45,106 0.292,107 0.619,108 0.778,109 0.875,110 0.884,111 0.884,112 3.376,113 0.844,114 -3.06,115 -3.06,116 -2.95,119 50,136 1,137 1,142 8,143 3,144 4,145 2,157 1,158 1,163 1,164 1,165 1,172 8,175 9,177 1,178 1,180 3,183 12,185 1,188 7,193 1,196 10,199 3,200 6,202 2,203 2,205 2,208 9,210 1,213 6,216 1,218 1,221 14,223 1,225 6,230 3,233 9,235 3,237 1,238 10,243 7,246 10,248 4,250 1,255 3,258 6,260 1,263 1,264 4,267 2,268 1,269 4,271 1,274 2,276 1204,277 18.706,278 18.706,279 18.706,280 18.706,281 18.706,282 16.11,283 17.465,284 10.821,285 18.976,286 15.272,287 15.272,288 15.272,289 15.272,290 15.272,291 11.302,292 23.987,293 5.117,294 15.76,295 3.692,296 1.781,297 0.857,298 0.286,299 0.238,300 0.238,301 4.069,302 1,305 1,306 1,307 559,308 2.828,312 293.069,316 113.69,319 1.306,320 37.64,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 60.833,332 260,333 4.623,334 3.768,335 6.947,336 4.289,337 3.311,338 4.231,339 0.98,340 11.723,341 3.257,342 4.249,343 3.393,344 6.42,345 3.845,346 2.888,347 3.888,348 0.8,349 9.714,350 2.839,351 4.198,352 3.269,353 6.175,354 3.834,355 2.831,356 3.726,358 9.141,359 2.728,360 3.874,361 2.918,362 5.93,363 3.478,364 2.488,365 3.315,367 8.103,368 2.456,369 3.578,370 2.726,371 5.401,372 3.212,373 2.25,374 2.881,376 6.656,377 2.151,378 3.335,379 2.407,380 4.919,381 2.86,382 1.882,383 2.66,385 5.389,386 1.839,387 3.173,388 2.141,389 4.549,390 2.735,391 1.81,392 2.359,394 4.601,395 1.65,396 2.95,397 1.756,398 4.334,399 2.444,400 1.461,401 2.024,403 3.761,404 1.402,405 2.766,406 1.6,407 4.055,408 2.268,409 1.3,410 1.861,412 3.268,413 1.208,414 2.639,415 1.39,416 3.732,417 2.095,418 1.123,419 1.652,421 2.689,422 1.086,423 2.5,424 1.127,425 3.511,426 1.984,427 1,428 1.5,430 2.47,431 0.983,432 2.456,433 1,434 3.247,435 1.94,436 0.946,437 1.361,439 2.136,440 0.936,441 1.872,442 0.909,443 3.19,444 1.327,445 0.326,446 0.464,448 0.824,449 0.311,450 1.18,451 0.37,452 2.749,453 0.743,454 -0.203,455 -0.259,457 -0.501,458 -0.17,459 1.032,460 0.117,461 2.565,462 0.673,463 -0.311,464 -0.406,466 -0.811,467 -0.308,468 13.414,469 0.479,470 0.806,471 0.029,472 41.5,473 1.482,474 23.5,475 0.839,476 18,477 0.643,478 19.762,479 0.706,480 27.986,481 0.666,482 33.736,483 1.205,484 8.407,485 0.3,486 5.045,487 0.18,488 0.158,490 0.403,496 0.759,497 1.013,498 0.572,499 0.744,500 0.728,501 0.703,502 0.656,503 1.071,504 0.632,505 0.874,506 0.542,507 0.832,508 0.982,509 1.074,510 0.897,511 0.988,512 0.925,513 0.955,514 0.767,515 0.926,516 0.962,517 0.99,518 0.834,519 1.03,520 0.844,521 0.925,522 1.079,523 0.971,524 0.855,525 0.981,526 0.88,527 1.088,528 0.935,529 1.022,530 0.809,531 0.993,532 1.113,533 0.992,534 1.072,535 1.125,536 1.211,537 1.072,538 1.341,539 1.045,540 1.263,541 1.15,542 1.434,543 1.133,544 5.5,545 0.099,546 3.778,547 2.25,548 1.973,549 1.472,550 1.073,551 0.625,552 0.419,553 0.182,554 8513,555 29619,556 2.072,557 33.3,559 8,560 1,561 2,562 3,567 1.72,568 1.909,569 3.177,570 0.917,571 1,572 1,577 71.426,578 1.701,579 3.611,580 4.535,581 5.107,582 5.154,583 5.154,584 2.629,585 4.164,586 4.776,587 3.312,588 1251.84,589 8.359,590 15798,591 1,592 1,594 1,595 226.477,596 1.497,597 4.723,598 0.177,599 0.008,600 0.084,601 0.045,602 0.041,603 0.032,604 0.023,605 0.015,606 0.014,607 0.008,608 0.448,609 0.5,610 1,611 0.787,612 136.74,613 -0.114,614 0.034,615 -0.013,616 0.092,617 -0.139,618 0.076,619 -0.001,620 -0.04,621 0.009,622 -0.012,623 0.054,624 -0.01,625 -0.112,626 -0.079,627 -0.062,628 -0.066,629 -0.09,630 -0.065,631 0.179,632 0.053,633 -0.028,634 -0.036,635 0.125,636 -0.099,637 -0.048,638 0.018,639 -0.048,640 0.031,641 -0.071,642 0.036,643 -0.067,644 -0.112,645 0.027,646 -0.054,647 -0.011,648 -0.019,649 0.024,650 -0.031,651 0.013,652 -0.137,653 -0.003,654 -0.109,655 -0.195,656 -0.141,657 -0.131,658 -0.108,659 -0.209,660 -0.081,661 2.492,662 5.743,663 0.786,664 24.286,665 1.022,666 1.109,667 1.834,668 3.363,669 0.733,670 3.466,671 3.829,672 4.143,673 4.443,674 4.745,675 4.913,676 5.1,677 5.236,678 5.371,679 5.361,680 5.629,681 0.719,682 391.83,683 3.466,684 5.03,685 5.905,686 6.808,687 7.705,688 8.616,689 9.523,690 10.44,691 11.352,692 12.272,693 7.1,700 1,701 1,703 1,709 10,710 1,714 7,716 18,721 1,730 1,732 1,734 1,735 42,737 21,738 2,739 31,741 45,742 21,743 17,744 6,745 6,746 4,748 4,749 5,750 1,762 21,767 3,772 2,774 1,776 3,780 1,783 14,784 6,785 3,786 7,787 1,792 3,797 0.75,798 3,809 1,816 4,820 1,828 1,835 1,843 3,848 1,851 28,852 1,857 1,864 1,873 1,874 7.1,876 1,877 2,881 14.667,882 7.576,883 6.056,884 2.288,886 3.502,887 1.454,888 1.005,889 4.632,890 11.222,891 3.784,892 4.413,893 5.026,894 5.605,895 6.197,896 6.548,897 7.034,898 7.47,899 7.905,900 8.215,901 1,902 50,903 10.34,905 4.592,906 8.063,907 18.966,909 15.708,911 2.563,912 71.778,915 1,916 129.482,917 134.547,918 52.807,919 39.149,920 92.973,923 134.547,924 261.604,925 52.807,927 41.945,928 75.81,929 143.139,930 42.976,931 11.771,932 94.169,933 39.149,934 129.482,935 187.354,936 92.973,937 39.149,939 129.482,940 92.973,943 54.116,944 116.452,945 55.934,947 129.482,948 145.78,949 173.695,952 129.482,953 31.595,954 106.077,956 181.805,957 129.482,958 145.78,959 173.695,961 0.592,962 0.352,963 0.194,964 0.11,965 23,966 11,967 0.067,968 3,969 1,970 1.091,971 3.762,972 260.501,973 0.091,974 22,975 130.606,981 18.231,982 7.114,983 3.296,985 145.78,986 16.825,987 4.016,991 3.437,993 75.581,994 448.958,995 43,1000 24.549,1002 1.377,1004 -1.419,1007 42.913,1008 46.558,1009 0.315,1010 0.67,1011 0.841,1012 0.947,1013 0.956,1014 0.956,1015 5.034,1016 1.461,1017 5.916,1018 4.601,1019 4.511,1020 5.1,1021 1.356,1022 6.781,1023 4.455,1024 6.269,1025 1.3,1026 7.513,1027 3.761,1028 4.205,1029 4.924,1030 0.325,1031 7.789,1032 4.112,1033 7.593,1034 1.123,1035 9.211,1036 3.268,1037 6.155,1038 7.304,1039 1.195,1040 10.928,1041 6.059,1042 8.952,1043 1,1044 10.967,1045 2.689,1046 6.648,1047 7.906,1048 0.268,1049 12.748,1050 6.527,1051 10.34,1052 0.946,1053 12.761,1054 2.47,1055 8.1,1056 9.773,1057 1.112,1058 15.422,1059 7.97,1060 11.751,1061 0.326,1062 14.58,1063 2.136,1064 8.955,1065 10.751,1066 0.188,1067 17.581,1068 8.804,1069 13.178,1070 -0.203,1071 16.418,1072 0.824,1073 10.217,1074 12.389,1075 1.054,1076 20.097,1077 10.055,1078 3.311,1079 -0.311,1080 18.269,1081 -0.501,1082 11.24,1083 13.564,1084 0.125,1085 22.409,1086 11.06,1087 2.888,1088 11.723,1089 20.131,1090 -0.811,1091 12.433,1092 15.09,1093 1.007,1094 24.871,1095 12.239,1096 2.831,1097 9.714,1098 22.002,1099 4.231,1100 13.533,1101 16.372,1102 0.082,1103 27.255,1104 13.323,1105 2.488,1106 9.141,1107 23.88,1108 3.888,1109 14.705,1110 17.842,1111 0.969,1112 29.703,1113 14.481,1114 2.25,1115 8.103,1116 25.763,1117 3.726,1118 15.844,1119 19.184,1120 0.054,1121 32.121,1122 15.604,1123 1.882,1124 6.656,1125 27.653,1126 3.315,1127 17.013,1128 20.627,1129 0.935,1130 34.569,1131 16.758,1132 1.81,1133 5.389,1134 29.546,1135 2.881,1136 18.171,1137 22.004,1138 0.035,1139 37.005,1140 17.902,1141 8221,1142 15447,1143 20.403,1144 30.807,1145 48.363,1146 49.58,1147 49.338,1148 47.46,1149 47.229,1150 63.845,1151 3.56,1152 140.952,1153 45.691,1154 5.478,1155 5.768,1156 6.749,1157 5.329,1158 5.311,1159 7.231,1160 1.96,1161 19.428,1162 5.257,1163 14.953,1164 1.56,1165 1.599,1166 1.592,1167 1.531,1168 1.524,1169 2.06,1170 0.115,1171 4.547,1172 1.474,1173 4.075,1174 4.096,1175 4.083,1176 4.003,1177 7.449,1178 4.009,1179 3.885,1180 3.91,1181 3.931,1182 3.819,1183 7.415,1184 3.817,1185 3.786,1186 3.809,1187 3.762,1188 3.687,1189 6.471,1190 3.696,1191 3.561,1192 3.593,1193 3.506,1194 3.424,1195 4.944,1196 3.439,1197 3.165,1198 3.226,1199 3.326,1200 2.914,1201 4.889,1202 2.946,1203 3.068,1204 3.086,1205 3.087,1206 2.862,1207 4.868,1208 2.894,1209 2.88,1210 2.925,1211 3.011,1212 2.796,1213 4.635,1214 2.77,1215 2.854,1216 2.922,1217 2.689,1218 2.735,1219 4.261,1220 2.715,1221 0.149,1222 0.122,1223 0.224,1224 0.138,1225 0.107,1226 4.623,1227 0.136,1228 3.768,1229 0.032,1230 6.947,1231 0.378,1232 4.289,1233 0.105,1234 3.311,1235 4.231,1236 0.98,1237 11.723,1238 3.257,1239 2.02,1240 2.001,1241 2.084,1242 2.107,1243 1.23,1244 2.101,1245 1.863,1246 1.843,1247 1.941,1248 1.96,1249 1.048,1250 1.96,1251 1.749,1252 1.725,1253 1.842,1254 1.868,1255 0.902,1256 1.862,1257 1.501,1258 1.475,1259 1.616,1260 1.682,1261 0.641,1262 1.663,1263 1.041,1264 0.989,1265 1.255,1266 1.359,1267 0.235,1268 1.335,1269 0.968,1270 0.938,1271 1.181,1272 1.201,1273 0.218,1274 1.169,1275 0.886,1276 0.824,1277 1.151,1278 1.062,1279 0.169,1280 1.107,1281 0.868,1282 0.821,1283 1.107,1284 1.033,1285 0.081,1286 1.066,1287 4.143,1289 5.493,1291 7.052,1293 8.708,1295 10.417,1298 6.31,1301 5.404,1302 9.654,1309 1.628,1314 30.197,1315 71.426,1316 151.669,1317 190.477,1318 214.477,1319 216.477,1320 216.477,1321 58.457,1322 7.72,1323 98.21,1324 98.21,1325 24,1326 12.782,1327 4.459,1328 3.7,1329 41.981,1330 92,1331 102,1332 0.224,1333 188.212,1334 332.62,1335 450.997,1336 21779,1337 2.4,1338 19.836,1339 0.708,1340 0.544,1341 20.336,1342 15.22,1343 13.452,1344 0.434,1345 0.281,1346 8.276,1347 12.749,1348 8.087,1349 6.662,1350 13.741,1351 8.718,1352 12.525,1353 0.278,1354 0.147,1355 12.896,1356 6.617,1357 10.661,1358 0.172,1359 0.077,1360 10.993,1361 4.777,1362 9.159,1363 0.109,1364 0.04,1365 9.567,1366 3.381,1367 7.497,1368 0.066,1369 0.021,1370 7.714,1371 2.338,1372 0.337,1373 86.948,1374 0.221,1375 25.97,1376 0.665,1377 152,1378 482.427,1379 179.103,1380 501.971,1381 669.6,1382 464,1383 183,1384 466.997,1385 206.512,1386 485.389,1387 712.03,1388 457,1389 5.7}
{0 CHEMBL340921,1 1.556,2 9.286,3 2.71,4 7.341,5 105.819,6 8.254,7 0.581,8 3.923,9 4.023,10 3.569,11 3.529,12 5.184,13 3.525,14 4.38,15 4.507,16 3.951,17 3.919,18 5.65,19 3.905,20 4.644,21 4.782,22 4.084,23 4.087,24 5.895,25 4.063,26 4.764,27 4.931,28 4.082,29 4.121,30 6.104,31 4.072,32 4.794,33 4.981,34 4.017,35 4.144,36 5.945,37 4.075,38 4.773,39 4.97,40 4.024,41 4.104,42 5.952,43 4.044,44 4.744,45 4.922,46 3.96,47 4.01,48 6.06,49 3.961,50 4.686,51 4.887,52 3.697,53 3.816,54 5.977,55 3.75,56 0.074,57 0.621,58 7.265,59 3.754,60 13.656,61 4.251,62 0.148,63 0.975,64 12.587,65 6.171,66 26.77,67 7.393,68 0.22,69 1.237,70 17.578,71 8.1,72 37.546,73 9.363,74 0.527,75 1.383,76 21.901,77 9.249,78 76.401,79 11.249,80 0.371,81 1.392,82 23.872,83 10.253,84 58.554,85 12.718,86 0.251,87 1.389,88 23.375,89 9.918,90 41.708,91 12.672,92 0.33,93 1.315,94 22.385,95 9.324,96 55.44,97 11.06,98 0.474,99 1.182,100 23.823,101 8.858,102 98.637,103 10.194,104 27,105 45,106 0.263,107 0.63,108 0.776,109 0.867,110 0.874,111 0.874,112 3.376,113 0.837,114 -3.06,115 -3.06,116 -2.95,119 48.9,120 1,136 1,137 1,142 8,143 4,144 3,145 2,157 1,158 1,163 1,164 1,165 1,172 10,175 10,177 1,178 1,180 3,183 13,185 1,188 7,193 2,196 11,199 3,200 6,202 2,203 2,205 2,208 12,210 1,213 6,216 1,218 1,221 16,223 1,225 8,230 4,233 11,235 4,237 1,238 10,243 7,246 12,248 4,250 1,255 3,258 6,260 1,263 1,264 5,267 2,268 1,269 4,271 1,274 2,276 1204,277 18.706,278 18.706,279 18.706,280 18.706,281 18.706,282 16.11,283 18.125,284 10.821,285 18.864,286 15.272,287 15.272,288 15.272,289 15.272,290 15.272,291 11.302,292 25.696,293 5.117,294 15.528,295 3.936,296 1.768,297 0.906,298 0.372,299 0.328,300 0.328,301 4.069,304 1,305 1,306 1,307 559,308 2.828,312 293.069,316 113.69,319 1.306,320 33.644,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 60.5,332 260,333 4.623,334 3.766,335 6.947,336 4.293,337 3.311,338 4.231,339 0.98,340 11.723,341 3.263,342 4.249,343 3.361,344 6.42,345 3.877,346 2.888,347 3.888,348 0.8,349 9.714,350 2.852,351 4.198,352 3.222,353 6.175,354 3.834,355 2.831,356 3.726,358 9.141,359 2.832,360 3.874,361 2.875,362 5.93,363 3.484,364 2.488,365 3.315,367 8.103,368 2.474,369 3.578,370 2.679,371 5.401,372 3.213,373 2.25,374 2.881,376 6.656,377 2.156,378 3.335,379 2.325,380 4.919,381 2.874,382 1.882,383 2.66,385 5.389,386 1.858,387 3.173,388 2.029,389 4.549,390 2.776,391 1.81,392 2.359,394 4.601,395 1.744,396 2.95,397 1.751,398 4.334,399 2.468,400 1.461,401 2.024,403 3.761,404 1.46,405 2.766,406 1.529,407 4.055,408 2.297,409 1.3,410 1.861,412 3.268,413 1.292,414 2.639,415 1.372,416 3.732,417 2.095,418 1.123,419 1.652,421 2.689,422 1.086,423 2.5,424 1.127,425 3.511,426 1.984,427 1,428 1.5,430 2.47,431 0.983,432 2.456,433 1,434 3.247,435 1.94,436 0.946,437 1.361,439 2.136,440 0.937,441 1.872,442 0.907,443 3.19,444 1.344,445 0.326,446 0.464,448 0.824,449 0.327,450 1.18,451 0.249,452 2.749,453 0.789,454 -0.203,455 -0.259,457 -0.501,458 -0.198,459 1.032,460 0.106,461 2.565,462 0.681,463 -0.311,464 -0.406,466 -0.811,467 -0.309,468 13.2,469 0.471,470 0.806,471 0.029,472 41.25,473 1.473,474 23.5,475 0.839,476 17.75,477 0.634,478 19.878,479 0.71,480 28.2,481 0.627,482 33.619,483 1.201,484 8.376,485 0.299,486 5.077,487 0.181,488 0.144,490 0.409,496 0.779,497 1.036,498 0.72,499 0.848,500 0.731,501 0.78,502 0.631,503 1.029,504 0.703,505 0.907,506 0.517,507 0.83,508 0.989,509 1.133,510 0.941,511 1.048,512 0.903,513 0.996,514 0.789,515 0.928,516 1.004,517 0.995,518 0.806,519 1.031,520 0.855,521 0.953,522 0.983,523 0.981,524 0.9,525 1.008,526 0.732,527 1.033,528 0.87,529 1.03,530 0.695,531 0.982,532 1.145,533 1.091,534 1.091,535 1.169,536 1.201,537 1.131,538 1.596,539 0.997,540 1.269,541 1.054,542 1.802,543 1.099,544 5.5,545 0.099,546 3.778,547 2.25,548 1.973,549 1.472,550 1.073,551 0.625,552 0.419,553 0.182,554 8513,555 26229,556 2.072,557 37.8,558 3,559 8,560 1,561 2,562 3,567 1.72,568 1.909,569 3.177,570 0.882,571 1,572 1,577 70.029,578 1.556,579 3.724,580 4.586,581 5.12,582 5.164,583 5.164,584 2.629,585 4.164,586 4.776,587 3.312,588 1251.84,589 8.359,590 15798,592 1,594 1,595 247.133,596 1.497,597 4.723,598 0.177,599 0.008,600 0.084,601 0.045,602 0.041,603 0.032,604 0.023,605 0.015,606 0.014,607 0.008,608 0.448,609 0.5,610 1,611 0.787,612 136.74,613 -0.102,614 0.027,615 0.004,616 0.084,617 -0.132,618 0.07,619 0.036,620 0.011,621 0.081,622 0.041,623 0.077,624 0.065,625 -0.12,626 -0.123,627 -0.096,628 -0.095,629 -0.075,630 -0.091,631 0.141,632 0.079,633 -0.087,634 -0.034,635 0.114,636 -0.092,637 -0.042,638 -0.003,639 -0.038,640 0.018,641 -0.083,642 -0.007,644 -0.063,645 0.081,646 -0.039,647 0.04,648 0.026,649 -0.096,650 -0.128,651 -0.122,652 -0.194,653 -0.07,654 -0.167,655 -0.259,656 -0.072,657 -0.196,658 -0.061,659 -0.301,660 -0.107,661 2.449,662 5.776,663 0.786,664 24.286,665 1.011,666 1.112,667 1.834,668 3.363,669 0.705,670 3.466,671 3.829,672 4.143,673 4.443,674 4.745,675 4.913,676 5.1,677 5.236,678 5.371,679 5.361,680 5.629,681 0.687,682 371.42,683 3.466,684 5.03,685 5.905,686 6.808,687 7.705,688 8.616,689 9.523,690 10.44,691 11.352,692 12.272,693 6.7,700 1,701 1,703 1,709 10,710 1,714 7,716 18,721 1,730 1,732 1,735 45,737 21,738 2,739 31,741 48,742 22,743 17,744 6,745 6,746 4,748 4,749 5,754 1,762 21,763 1,767 3,772 2,774 1,776 3,779 1,780 1,783 17,784 6,785 3,786 6,792 3,797 0.75,798 3,809 1,816 4,820 1,828 1,835 1,843 3,847 1,851 28,852 1,857 1,864 1,874 6.7,876 1,877 2,881 14.667,882 8.433,883 6.056,884 2.503,886 3.502,887 1.454,888 1.001,889 4.457,890 11.222,891 3.784,892 4.413,893 5.026,894 5.605,895 6.197,896 6.548,897 7.034,898 7.47,899 7.905,900 8.215,901 1,902 50,903 10.348,905 4.554,906 7.988,907 19.18,909 15.874,911 2.488,912 69.667,915 1,916 164.795,917 143.057,918 52.807,920 92.973,923 143.057,924 257.769,925 52.807,926 8.825,927 41.945,928 75.81,929 143.139,930 42.661,931 11.771,932 129.482,934 164.795,935 195.864,936 92.973,939 164.795,940 92.973,943 62.942,944 116.137,945 16.786,947 164.795,948 145.78,949 143.057,952 164.795,953 31.279,954 114.902,956 142.656,957 164.795,958 145.78,959 143.057,961 0.592,962 0.352,963 0.194,964 0.11,965 23,966 11,967 0.063,968 3,969 1,970 1.091,971 3.762,972 260.501,973 0.091,974 22,975 127.851,981 17.959,982 6.949,983 3.204,985 145.78,986 17.505,987 4.033,991 4.55,993 75.581,994 453.633,995 43,1000 24.615,1002 1.461,1004 -1.275,1007 45.473,1008 50.03,1009 0.283,1010 0.678,1011 0.835,1012 0.932,1013 0.94,1014 0.94,1015 5.034,1016 1.461,1017 5.916,1018 4.601,1019 4.511,1020 5.1,1021 1.356,1022 6.781,1023 4.482,1024 6.269,1025 1.3,1026 7.513,1027 3.761,1028 4.205,1029 4.924,1030 0.325,1031 7.789,1032 4.169,1033 7.593,1034 1.123,1035 9.211,1036 3.268,1037 6.155,1038 7.304,1039 1.195,1040 10.928,1041 6.102,1042 8.952,1043 1,1044 10.967,1045 2.689,1046 6.648,1047 7.906,1048 0.268,1049 12.748,1050 6.591,1051 10.34,1052 0.946,1053 12.761,1054 2.47,1055 8.1,1056 9.773,1057 1.112,1058 15.422,1059 8.026,1060 11.751,1061 0.326,1062 14.58,1063 2.136,1064 8.955,1065 10.751,1066 0.188,1067 17.581,1068 8.875,1069 13.178,1070 -0.203,1071 16.418,1072 0.824,1073 10.217,1074 12.389,1075 1.054,1076 20.097,1077 10.121,1078 3.311,1079 -0.311,1080 18.269,1081 -0.501,1082 11.24,1083 13.564,1084 0.125,1085 22.409,1086 11.133,1087 2.888,1088 11.723,1089 20.131,1090 -0.811,1091 12.433,1092 15.09,1093 1.007,1094 24.871,1095 12.311,1096 2.831,1097 9.714,1098 22.002,1099 4.231,1100 13.533,1101 16.372,1102 0.082,1103 27.255,1104 13.399,1105 2.488,1106 9.141,1107 23.88,1108 3.888,1109 14.705,1110 17.842,1111 0.969,1112 29.703,1113 14.555,1114 2.25,1115 8.103,1116 25.763,1117 3.726,1118 15.844,1119 19.184,1120 0.054,1121 32.121,1122 15.679,1123 1.882,1124 6.656,1125 27.653,1126 3.315,1127 17.013,1128 20.627,1129 0.935,1130 34.569,1131 16.832,1132 1.81,1133 5.389,1134 29.546,1135 2.881,1136 18.171,1137 22.004,1138 0.035,1139 37.005,1140 17.976,1141 8221,1142 14535,1143 20.403,1144 31.71,1145 48.363,1146 49.23,1147 49.338,1148 47.293,1149 47.229,1150 63.845,1151 3.56,1152 140.952,1153 46.525,1154 5.478,1155 5.766,1156 6.749,1157 5.332,1158 5.311,1159 7.231,1160 1.96,1161 19.428,1162 5.263,1163 14.953,1164 1.56,1165 1.588,1166 1.592,1167 1.526,1168 1.524,1169 2.06,1170 0.115,1171 4.547,1172 1.501,1173 4.079,1174 4.102,1175 4.046,1176 4.005,1177 7.449,1178 4.012,1179 3.897,1180 3.925,1181 3.844,1182 3.831,1183 7.415,1184 3.83,1185 3.792,1186 3.819,1187 3.745,1188 3.689,1189 6.471,1190 3.699,1191 3.561,1192 3.593,1193 3.506,1194 3.425,1195 4.933,1196 3.439,1197 3.194,1198 3.264,1199 3.096,1200 3.027,1201 4.885,1202 3.014,1203 3.152,1204 3.221,1205 3.039,1206 2.897,1207 4.71,1208 2.927,1209 3.054,1210 3.08,1211 2.946,1212 2.861,1213 4.548,1214 2.888,1215 2.854,1216 2.925,1217 2.689,1218 2.735,1219 4.102,1220 2.715,1221 0.149,1222 0.121,1223 0.224,1224 0.138,1225 0.107,1226 4.623,1227 0.136,1228 3.766,1229 0.032,1230 6.947,1231 0.378,1232 4.293,1233 0.105,1234 3.311,1235 4.231,1236 0.98,1237 11.723,1238 3.263,1239 2.024,1240 2.005,1241 2.092,1242 2.113,1243 1.24,1244 2.107,1245 1.888,1246 1.865,1247 1.994,1248 1.981,1249 1.11,1250 1.986,1251 1.756,1252 1.73,1253 1.855,1254 1.883,1255 0.912,1256 1.875,1257 1.501,1258 1.475,1259 1.617,1260 1.682,1261 0.645,1262 1.663,1263 1.205,1264 1.131,1265 1.538,1266 1.427,1267 0.587,1268 1.468,1269 1.036,1270 0.98,1271 1.254,1272 1.357,1273 0.235,1274 1.334,1275 0.967,1276 0.935,1277 1.181,1278 1.195,1279 0.218,1280 1.167,1281 0.886,1282 0.821,1283 1.151,1284 1.062,1285 0.122,1286 1.107,1287 4.143,1289 5.493,1291 7.052,1293 8.708,1295 10.417,1297 1.843,1301 5.437,1302 9.738,1309 1.76,1314 30.896,1315 70.029,1316 167.57,1317 206.379,1318 230.379,1319 232.379,1320 232.379,1321 55.326,1322 7.72,1323 98.21,1324 98.21,1325 24,1326 12.782,1327 4.459,1328 3.7,1329 41.981,1330 92,1331 102,1332 0.224,1333 189.471,1334 334.71,1335 454.07,1336 21779,1338 19.836,1339 0.708,1340 0.539,1341 19.836,1342 15.086,1343 13.452,1344 0.434,1345 0.279,1346 8.558,1347 13.04,1348 8.331,1349 6.915,1350 13.452,1351 8.651,1352 12.525,1353 0.278,1354 0.145,1355 12.525,1356 6.545,1357 10.661,1358 0.172,1359 0.076,1360 10.661,1361 4.724,1362 9.159,1363 0.109,1364 0.04,1365 9.159,1366 3.334,1367 7.497,1368 0.066,1369 0.02,1370 7.497,1371 2.314,1372 0.337,1373 83.773,1374 0.221,1375 25.97,1376 0.665,1377 152,1378 456.223,1379 163.584,1380 448.588,1381 610.68,1382 416,1383 183,1384 450.134,1385 194.476,1386 460.264,1387 673.39,1388 433,1389 5.2}
{0 CHEMBL362558,1 1.676,2 12.763,3 3.133,4 9.813,5 138.257,6 8.136,7 0.455,8 4.286,9 4.399,10 3.939,11 3.83,12 5.403,13 3.838,14 4.868,15 5.033,16 4.368,17 4.288,18 5.996,19 4.278,20 5.159,21 5.352,22 4.485,23 4.476,24 6.235,25 4.444,26 5.254,27 5.454,28 4.524,29 4.501,30 6.437,31 4.47,32 5.232,33 5.416,34 4.551,35 4.471,36 6.493,37 4.452,38 5.237,39 5.437,40 4.513,41 4.457,42 6.447,43 4.432,44 5.253,45 5.462,46 4.476,47 4.42,48 6.581,49 4.389,50 5.156,51 5.376,52 4.255,53 4.309,54 6.357,55 4.245,56 0.097,57 1.073,58 10.829,59 5.369,60 11.916,61 6.502,62 0.511,63 1.821,64 23.12,65 9.267,66 31.527,67 11.806,68 0.554,69 2.267,70 34.536,71 13.56,72 65.526,73 17.249,74 0.856,75 2.387,76 39.668,77 14.223,78 112.276,79 18.108,80 1.003,81 2.44,82 37.857,83 13.894,84 98.248,85 17.043,86 0.763,87 2.381,88 39.598,89 14.806,90 99.998,91 18.469,92 1.171,93 2.486,94 41.841,95 14.57,96 172.415,97 18.093,98 0.991,99 2.161,100 38.426,101 13.301,102 133.361,103 16.926,104 17,105 66,106 0.263,107 0.626,108 0.78,109 0.863,110 0.868,111 0.868,112 3.669,113 0.878,114 -4.18,115 -4.13,116 -3.9,119 44.4,121 3,125 5,136 2,142 5,143 3,144 1,145 1,151 2,152 2,158 2,159 1,161 1,172 9,174 4,175 12,178 2,180 2,183 7,187 1,188 12,193 1,196 5,199 2,200 13,203 1,205 1,208 5,212 5,213 10,216 2,218 1,221 5,224 3,225 9,230 3,233 6,237 1,238 14,243 2,246 6,249 1,250 9,253 1,258 6,263 2,264 4,272 8,276 2570,277 26.085,278 26.085,279 26.085,280 26.085,281 26.085,282 23.288,283 24.978,284 15,285 26.603,286 21.753,287 21.753,288 21.753,289 21.753,290 21.753,291 17.134,292 28.135,293 7.14,294 22.588,295 4.301,296 1.986,297 1.002,298 0.476,299 0.444,300 0.444,301 4.394,306 1,307 1104,308 3.24,311 213.756,312 272.269,313 89.589,315 244.348,316 128.343,317 140.326,318 157.526,319 2.104,320 53.725,323 0.75,324 0.5,325 0.83,326 0.7,327 0.5,328 0.83,329 1,330 0.73,331 83.5,332 485,333 4.838,334 3.839,335 7.197,336 4.423,337 3.438,338 4.766,339 1.745,340 12.703,341 3.391,342 4.64,343 3.8,344 6.898,345 4.189,346 3.223,347 4.542,348 1.2,349 11.588,350 3.118,351 4.342,352 3.383,353 6.474,354 3.91,355 2.965,356 3.955,357 0.8,358 10.023,359 2.793,360 4.102,361 3.267,362 6.383,363 3.833,364 2.88,365 3.293,366 0.791,367 9.652,368 2.729,369 3.759,370 3.045,371 5.889,372 3.39,373 2.411,374 3.19,375 0.456,376 7.98,377 2.362,378 3.646,379 2.801,380 5.428,381 3.256,382 2.323,383 3.023,384 0.046,385 6.847,386 2.152,387 3.443,388 2.674,389 5.368,390 3.117,391 2.146,392 2.726,394 6.616,395 2.087,396 3.245,397 2.424,398 5.206,399 2.993,400 2.012,401 2.382,403 6.14,404 1.957,405 3.154,406 2.266,407 4.979,408 2.798,409 1.826,410 2.318,412 5.331,413 1.782,414 3.081,415 2.114,416 4.811,417 2.703,418 1.721,419 2.249,421 5.127,422 1.653,423 3.046,424 2.013,425 4.663,426 2.514,427 1.546,428 2.19,430 4.386,431 1.5,432 2.929,433 1.626,434 4.335,435 2.493,436 1.513,437 2.008,439 3.714,440 1.469,441 2.65,442 1.545,443 4.069,444 2.396,445 1.417,446 1.689,448 3.325,449 1.38,450 2.581,451 1.411,452 3.911,453 2.14,454 1.164,455 1.559,457 3.07,458 1.131,459 2.432,460 1.259,461 3.578,462 1.984,463 1,464 1.328,466 2.504,467 0.983,468 17.686,469 0.465,470 1.025,471 0.027,472 49,473 1.289,474 22,475 0.579,476 27,477 0.711,478 36.342,479 0.956,480 39.914,481 0.634,482 43.924,483 1.156,484 9.496,485 0.25,486 8.995,487 0.237,488 0.073,490 0.43,494 1,496 0.637,497 1.306,498 0.66,499 1.069,500 0.474,501 0.905,502 0.629,503 0.965,504 0.782,505 0.872,506 0.468,507 0.851,508 0.868,509 1.022,510 0.863,511 0.99,512 0.783,513 0.932,514 0.971,515 0.951,516 0.927,517 0.927,518 0.914,519 0.913,520 1.073,521 0.996,522 0.989,523 1.022,524 1.203,525 1,526 1.075,527 1.092,528 0.88,529 1.019,530 1.137,531 0.933,532 1.157,533 1.076,534 1.001,535 1,536 1.175,537 0.973,538 1.089,539 0.987,540 1.099,541 0.998,542 1.119,543 1.043,544 6.5,545 0.227,546 4.444,547 4.118,548 2.408,549 1.751,550 1.347,551 0.881,552 0.524,553 0.363,554 22366,555 58979,556 2.205,557 39.7,558 2,559 15,560 2,561 1,562 1,564 4,567 1.792,568 2.073,569 3.58,570 -0.348,577 105.602,578 1.676,579 3.991,580 4.975,581 5.501,582 5.533,583 5.533,584 3.122,585 5.09,586 5.216,587 3.755,588 2639.92,589 9.215,590 40730,595 376.569,596 1.378,597 5.186,598 0.148,599 0.007,600 0.067,601 0.056,602 0.033,603 0.024,604 0.019,605 0.013,606 0.01,607 0.008,608 0.385,609 0.5,610 0.75,611 0.48,612 206.24,613 -0.042,614 -0.237,615 0.064,616 -0.08,617 -0.005,618 -0.005,619 0.081,620 0.076,621 0.047,622 0.08,623 0.069,624 0.06,625 -0.061,626 -0.041,627 0.05,628 0.003,629 -0.029,630 0.047,631 -0.044,632 -0.026,633 0.027,634 0.039,635 0.009,636 0.051,637 0.043,638 0.034,639 -0.032,640 -0.054,641 -0.045,642 -0.066,643 -0.027,644 -0.112,645 0.103,646 -0.023,647 -0.022,648 0.05,649 0.063,650 0.019,651 0.023,652 -0.011,653 0.093,654 -0.003,655 -0.016,656 -0.002,657 -0.08,658 -0.017,659 -0.02,660 -0.056,661 2.195,662 7.032,663 0.868,664 41.645,665 1.015,666 1.129,667 2.953,668 8.719,669 0.682,670 3.807,671 4.205,672 4.585,673 4.97,674 5.252,675 5.481,676 5.733,677 5.964,678 6.155,679 6.333,680 7.251,681 0.665,682 512.59,683 3.807,684 5.398,685 6.304,686 7.235,687 8.16,688 9.099,689 10.033,690 10.976,691 11.916,692 12.861,693 9.5,700 3,701 2,703 1,708 3,709 8,710 1,714 4,715 1,716 20,734 1,735 63,737 24,738 1,739 44,741 69,742 28,743 15,744 4,745 2,746 4,748 7,749 12,753 1,757 3,760 3,762 20,763 8,767 4,772 3,776 5,781 1,783 25,784 8,785 1,786 10,789 1,792 6,794 1,797 0.571,798 3,809 1,811 1,815 3,816 3,817 1,819 2,820 1,821 1,822 1,835 2,843 4,849 1,851 38,858 8,860 1,864 2,873 1,874 4.8,877 3,881 18.333,882 11.56,883 8.028,884 4.077,886 4.488,887 1.468,888 1.069,889 5.551,890 14.078,891 4.078,892 4.741,893 5.43,894 6.121,895 6.701,896 7.196,897 7.729,898 8.238,899 8.614,900 9.061,901 0.889,902 73,903 14.293,905 6.603,906 7.882,907 27.01,909 23.713,911 2.382,912 90.5,916 282.506,917 137.393,918 44.23,920 75.435,921 14.96,923 137.393,924 357.941,925 59.191,927 42.391,928 65.476,929 115.116,930 36.669,931 47.679,932 247.193,934 282.506,935 181.624,936 90.395,939 250.382,940 122.519,943 56.34,944 108.498,945 16.786,947 297.467,948 119.665,949 137.393,952 282.506,953 62.87,954 83.958,955 18.011,956 107.18,957 282.506,958 134.625,959 137.393,961 0.595,962 0.365,963 0.216,964 0.12,965 37,966 16,967 0.029,968 2,969 4,970 1.212,971 4.612,972 428.492,973 0.242,974 32,975 195.421,981 23.478,982 8.985,983 3.769,984 1.955,985 131.44,986 13.508,987 4.379,991 1.193,992 1.97,993 18.011,994 554.525,995 58,1000 39.451,1004 -0.662,1007 63.941,1008 71.11,1009 0.28,1010 0.668,1011 0.832,1012 0.92,1013 0.926,1014 0.926,1015 5.366,1016 2.012,1017 6.319,1018 6.616,1019 4.89,1020 5.429,1021 2.467,1022 7.226,1023 4.82,1024 6.601,1025 1.826,1026 7.932,1027 6.14,1028 4.575,1029 5.4,1030 1.404,1031 8.287,1032 4.468,1033 7.945,1034 1.721,1035 9.647,1036 5.331,1037 6.569,1038 7.727,1039 2.939,1040 11.478,1041 6.431,1042 9.329,1043 1.546,1044 11.422,1045 5.127,1046 7.099,1047 8.572,1048 2.615,1049 13.401,1050 6.932,1051 10.75,1052 1.513,1053 13.237,1054 4.386,1055 8.571,1056 10.392,1057 3.709,1058 16.115,1059 8.376,1060 12.198,1061 1.417,1062 15.08,1063 3.714,1064 9.479,1065 11.628,1066 3.796,1067 18.386,1068 9.265,1069 13.667,1070 1.164,1071 16.944,1072 3.325,1073 10.762,1074 13.265,1075 4.644,1076 20.951,1077 10.525,1078 3.438,1079 1,1080 18.823,1081 3.07,1082 11.835,1083 14.673,1084 4.954,1085 23.362,1086 11.584,1087 3.223,1088 12.703,1089 20.715,1090 2.504,1091 13.054,1092 16.244,1093 5.666,1094 25.884,1095 12.785,1096 2.965,1097 11.588,1098 22.617,1099 4.766,1100 14.199,1101 17.726,1102 6.094,1103 28.354,1104 13.918,1105 2.88,1106 10.023,1107 24.527,1108 4.542,1109 15.4,1110 19.274,1111 6.733,1112 30.866,1113 15.105,1114 2.411,1115 9.652,1116 26.444,1117 3.955,1118 16.577,1119 20.79,1120 7.223,1121 33.363,1122 16.271,1123 2.323,1124 7.98,1125 28.367,1126 3.293,1127 17.777,1128 22.332,1129 7.823,1130 35.877,1131 17.458,1132 2.146,1133 6.847,1134 30.294,1135 3.19,1136 18.97,1137 23.862,1138 8.345,1139 38.387,1140 18.641,1141 20178,1142 33037,1143 30.054,1144 42.949,1145 68.95,1146 71.222,1147 70.235,1148 68.285,1149 68.238,1150 88.512,1151 10.077,1152 210.314,1153 65.898,1154 5.838,1155 5.839,1156 6.999,1157 5.476,1158 5.438,1159 7.766,1160 3.033,1161 20.526,1162 5.391,1163 16.185,1164 1.567,1165 1.619,1166 1.596,1167 1.552,1168 1.551,1169 2.012,1170 0.229,1171 4.78,1172 1.498,1173 4.214,1174 4.246,1175 4.189,1176 4.116,1177 8.201,1178 4.13,1179 4.094,1180 4.138,1181 4.064,1182 3.952,1183 7.45,1184 3.975,1185 3.861,1186 3.922,1187 3.773,1188 3.692,1189 7.427,1190 3.696,1191 3.775,1192 3.799,1193 3.728,1194 3.636,1195 7.408,1196 3.653,1197 3.569,1198 3.627,1199 3.466,1200 3.385,1201 5.057,1202 3.396,1203 3.463,1204 3.516,1205 3.396,1206 3.296,1207 4.856,1208 3.311,1209 3.32,1210 3.372,1211 3.235,1212 3.158,1213 4.343,1214 3.177,1215 3.155,1216 3.213,1217 3.049,1218 2.941,1219 4.279,1220 2.953,1221 0.11,1222 0.087,1223 0.164,1224 0.101,1225 0.078,1226 4.838,1227 0.108,1228 3.839,1229 0.04,1230 7.197,1231 0.289,1232 4.423,1233 0.077,1234 3.438,1235 4.766,1236 1.745,1237 12.703,1238 3.391,1239 1.961,1240 1.944,1241 2.047,1242 2.065,1243 1.395,1244 2.051,1245 1.902,1246 1.863,1247 2.017,1248 2.04,1249 1.246,1250 2.036,1251 1.822,1252 1.759,1253 1.991,1254 2.012,1255 1.149,1256 2.013,1257 1.707,1258 1.677,1259 1.852,1260 1.878,1261 1.101,1262 1.876,1263 1.598,1264 1.538,1265 1.729,1266 1.763,1267 0.93,1268 1.754,1269 1.431,1270 1.391,1271 1.547,1272 1.651,1273 0.825,1274 1.609,1275 1.245,1276 1.21,1277 1.513,1278 1.549,1279 0.682,1280 1.501,1281 1.153,1282 1.104,1283 1.378,1284 1.381,1285 0.602,1286 1.429,1287 4.489,1289 5.866,1290 3.434,1291 7.433,1292 5.938,1293 9.089,1294 8.138,1295 10.796,1299 15.032,1303 5.835,1305 2.421,1309 3.661,1314 41.924,1315 105.602,1316 251.449,1317 313.449,1318 346.569,1319 348.569,1320 348.569,1321 80.008,1322 9.591,1323 95.71,1324 95.71,1325 40,1326 13.354,1327 4.644,1328 3.907,1329 48.448,1330 165,1331 188,1332 0.145,1333 246.426,1334 429.6,1335 593.04,1336 231920,1337 1.6,1338 25.966,1339 0.683,1340 0.542,1341 25.095,1342 20.614,1343 18.491,1344 0.42,1345 0.293,1346 12.666,1347 17.668,1348 12.5,1349 10.2,1350 18.097,1351 12.873,1352 17.362,1353 0.263,1354 0.152,1355 16.717,1356 10.055,1357 15.618,1358 0.161,1359 0.08,1360 15.351,1361 7.759,1362 14.412,1363 0.101,1364 0.042,1365 14.082,1366 6.022,1367 12.016,1368 0.063,1369 0.023,1370 11.735,1371 4.319,1372 0.223,1373 116.67,1374 0.182,1375 33.704,1376 0.412,1377 220,1378 687.876,1379 244.461,1380 635.39,1381 871.77,1382 594,1383 273,1384 651.637,1385 298.764,1386 649.743,1387 974.43,1388 614,1389 5.4}
{0 CHEMBL363648,1 1.503,2 11,3 5.629,4 31.689,5 118.509,6 7.991,7 0.719,8 3.996,9 4.103,10 3.675,11 3.673,12 5.121,13 3.614,14 4.478,15 4.629,16 4.054,17 4.044,18 5.575,19 3.961,20 4.681,21 4.865,22 4.078,23 4.136,24 5.746,25 4.029,26 4.709,27 4.898,28 4.08,29 4.123,30 5.819,31 4.009,32 4.655,33 4.827,34 4.092,35 4.106,36 5.757,37 4.012,38 4.669,39 4.842,40 4.036,41 4.135,42 5.753,43 4.031,44 4.775,45 4.98,46 3.919,47 4.147,48 5.742,49 4.002,50 4.765,51 5.013,52 3.771,53 4.015,54 5.728,55 3.863,56 0.027,57 0.667,58 9.328,59 4.497,60 6.309,61 5.665,62 0.15,63 1.106,64 17.824,65 7.686,66 16.565,67 9.845,68 0.147,69 1.351,70 24.887,71 9.954,72 26.901,73 12.174,74 0.254,75 1.416,76 29.167,77 10.673,78 39.011,79 12.351,80 0.202,81 1.337,82 25.648,83 9.43,84 29.037,85 11.207,86 0.213,87 1.352,88 23.349,89 9.403,90 29.318,91 11.523,92 0.161,93 1.444,94 29.146,95 11.706,96 26.422,97 14.705,98 0.23,99 1.436,100 26.852,101 10.644,102 35.937,103 14.293,104 11,105 44,106 0.249,107 0.565,108 0.729,109 0.842,110 0.871,111 0.871,112 3.408,113 0.97,114 -5.86,115 -5.72,116 -5.33,119 48,120 2,121 1,142 11,143 4,145 1,146 1,147 1,152 1,158 1,161 1,172 16,175 6,178 2,180 2,183 17,188 7,193 3,196 13,199 1,200 8,205 3,208 10,213 7,218 2,221 17,224 1,225 4,228 1,230 1,233 19,238 5,243 3,246 14,249 1,250 5,255 3,258 8,264 7,269 2,272 8,276 1399,277 19.886,278 19.886,279 19.886,280 19.886,281 19.886,282 17.075,283 13.583,284 11.869,285 20.209,286 15.781,287 15.781,288 15.781,289 15.781,290 15.781,291 11.518,292 13.633,293 5.611,294 16.357,295 4.141,296 2.237,297 1.246,298 0.565,299 0.39,300 0.39,301 4.105,306 1,307 691,308 3,311 79.97,312 283.698,319 1.655,320 19.259,323 0.75,324 0.83,325 1,326 0.6,327 0.5,328 1,329 1,330 0.81,331 60.5,332 319,333 4.546,334 3.571,335 6.732,336 4.131,337 3.184,338 4.269,339 1.058,340 11.029,341 3.023,342 4.183,343 3.207,344 6.055,345 3.83,346 2.836,347 3.73,349 8.722,350 2.819,351 4.034,352 2.717,353 5.833,354 3.621,355 2.632,356 3.628,358 8.104,359 2.599,360 3.864,361 2.616,362 5.387,363 3.399,364 2.456,365 3.426,367 7.054,368 2.312,369 3.467,370 2.336,371 5.186,372 3.081,373 2.146,374 2.763,376 6.372,377 1.996,378 3.374,379 2.187,380 4.976,381 3.005,382 2.03,383 2.655,385 5.762,386 1.956,387 3.195,388 2.103,389 4.401,390 2.719,391 1.718,392 2.444,394 4.086,395 1.709,396 2.824,397 1.483,398 4.164,399 2.371,400 1.393,401 1.959,403 3.668,404 1.358,405 2.698,406 1.323,407 3.819,408 2.207,409 1.233,410 1.788,412 2.808,413 1.197,414 2.54,415 1.256,416 3.488,417 2.037,418 1.064,419 1.553,421 2.516,422 1.03,423 2.532,424 1.084,425 3.466,426 2.013,427 1,428 1.5,430 2.384,431 1.007,432 2.5,433 1,434 3.421,435 2,436 1,437 1.474,439 2.195,440 1,441 2.256,442 0.769,443 3.247,444 1.628,445 0.766,446 1.138,448 2.136,449 0.646,450 1.492,451 0.454,452 2.712,453 1.301,454 0.35,455 0.391,457 0.497,458 0.329,459 1.182,460 0.399,461 2.674,462 0.783,463 -0.197,464 -0.254,466 -0.502,467 -0.191,468 14.367,469 0.495,470 0.623,471 0.021,472 41.75,473 1.44,474 24,475 0.828,476 17.75,477 0.612,478 22.78,479 0.786,480 28.833,481 0.577,482 29.915,483 1.032,484 8.041,485 0.277,486 6.094,487 0.21,488 0.093,490 0.313,496 0.693,497 1.045,498 0.734,499 0.854,500 0.618,501 0.841,502 0.55,503 1.028,504 0.779,505 0.916,506 0.571,507 0.884,508 1.071,509 1.075,510 1.04,511 1.014,512 0.953,513 0.955,514 1.321,515 1.074,516 1.317,517 1.126,518 1.183,519 0.956,520 1.369,521 1.15,522 1.165,523 1.107,524 1.315,525 0.967,526 1.127,527 1.005,528 1.113,529 1.033,530 1.052,531 1.045,532 0.748,533 1.207,534 1.185,535 1.277,536 0.759,537 1.207,538 0.834,539 1.017,540 0.861,541 0.943,542 0.728,543 1.055,544 5.5,545 0.119,546 2.667,547 1.91,548 1.701,549 0.792,550 0.563,551 0.434,552 0.323,553 0.195,554 10711,555 26970,556 2.111,557 42,558 6,559 11,561 1,562 1,563 2,567 1.723,568 2,569 3.441,570 -0.405,577 75.16,578 1.503,579 3.407,580 4.397,581 5.079,582 5.254,583 5.254,584 2.889,585 4.582,586 4.829,587 3.596,588 1459.82,589 8.428,590 19705,595 282.193,596 1.314,597 4.8,598 0.172,599 0.005,600 0.061,601 0.043,602 0.04,603 0.018,604 0.013,605 0.012,606 0.01,607 0.008,608 0.382,609 0.17,610 0.88,611 0.674,612 146.815,613 -0.016,614 -0.032,615 0.061,616 0.041,617 -0.065,618 0.036,619 0.241,620 -0.012,621 0.139,622 0.037,623 0.091,624 0.037,625 -0.064,626 -0.049,628 -0.006,629 -0.021,630 -0.007,631 -0.036,632 -0.004,633 -0.083,634 -0.025,635 0.049,636 -0.001,637 -0.104,638 -0.099,639 -0.05,640 -0.07,641 -0.059,642 -0.036,643 -0.075,644 0.037,645 -0.147,646 -0.076,647 -0.094,648 -0.128,649 -0.001,650 -0.245,651 -0.168,652 -0.26,653 -0.04,654 -0.214,655 0.061,656 -0.044,657 0.006,658 -0.038,659 0.052,660 -0.069,661 1.84,662 5.477,663 0.793,664 28.128,665 0.993,666 1.107,667 4.631,668 21.449,669 0.719,670 3.497,671 3.807,672 4.078,673 4.357,674 4.585,675 4.644,676 4.762,677 4.868,678 4.949,679 4.977,680 6.604,681 0.674,682 399.55,683 3.497,684 5.03,685 5.878,686 6.753,687 7.621,688 8.505,689 9.382,690 10.27,691 11.152,692 12.042,693 6,700 1,703 2,709 12,710 2,713 1,714 8,716 23,723 1,735 50,737 24,738 2,739 32,741 53,742 24,743 20,744 3,745 9,746 1,748 4,749 4,754 2,760 1,762 21,763 3,767 1,772 1,776 1,783 21,784 4,785 1,786 5,787 1,792 3,797 1,798 1,809 1,815 1,816 3,843 4,845 1,847 2,851 29,858 1,860 1,868 1,874 2,877 1,881 14.5,882 9.733,883 6.444,884 3.119,886 4.171,887 1.547,888 1.014,889 5.708,890 11.797,891 3.818,892 4.428,893 5.025,894 5.627,895 6.149,896 6.4,897 6.821,898 7.214,899 7.581,900 7.884,901 1,902 44,903 10.695,905 4.492,906 7.632,907 20.591,909 16.754,911 2.132,912 61.833,916 235.422,917 189.568,918 51.582,920 25.145,922 31.278,923 158.291,924 260.567,925 51.582,926 17.65,927 20.545,928 104.239,929 76.121,930 24.546,931 3.686,932 254.929,934 235.422,935 209.872,936 25.145,937 31.278,939 235.422,940 25.145,943 50.929,944 125.372,945 33.571,946 31.278,947 235.422,948 76.727,949 189.568,952 235.422,953 58.632,954 130.937,955 18.011,956 58.716,957 235.422,958 76.727,959 189.568,961 0.573,962 0.336,963 0.187,964 0.106,965 21,966 9,967 0.094,968 5,970 1,971 4.053,972 257.242,974 23,975 134.881,977 1,981 19.322,982 8.566,983 4.372,985 76.727,986 23.111,987 9.192,990 1.686,991 7.573,993 18.011,994 501.717,995 44.5,1000 12.477,1004 -0.173,1007 49.662,1008 55.361,1009 0.266,1010 0.604,1011 0.779,1012 0.9,1013 0.931,1014 0.931,1015 5.029,1016 1.393,1017 5.849,1018 4.086,1019 4.489,1020 5.115,1021 1.176,1022 6.645,1023 4.42,1024 6.238,1025 1.233,1026 7.393,1027 3.668,1028 4.007,1029 4.796,1031 7.496,1032 3.906,1033 7.536,1034 1.064,1035 9.037,1036 2.808,1037 6.061,1038 7.302,1039 1.255,1040 10.614,1041 5.925,1042 8.871,1043 1,1044 10.74,1045 2.516,1046 6.415,1047 7.809,1049 12.327,1050 6.236,1051 10.237,1052 1,1053 12.484,1054 2.384,1055 7.918,1056 9.752,1057 1.338,1058 14.955,1059 7.712,1060 11.626,1061 0.766,1062 14.256,1063 2.195,1064 8.668,1065 10.671,1067 17.042,1068 8.413,1069 13.033,1070 0.35,1071 16.049,1072 2.136,1073 9.942,1074 12.352,1075 1.422,1076 19.506,1077 9.659,1078 3.184,1079 -0.197,1080 17.858,1081 0.497,1082 10.887,1083 13.497,1085 21.763,1086 10.552,1087 2.836,1088 11.029,1089 19.681,1090 -0.502,1091 12.068,1092 15.048,1093 1.51,1094 24.173,1095 11.699,1096 2.632,1097 8.722,1098 21.515,1099 4.269,1100 13.11,1101 16.318,1103 26.506,1104 12.687,1105 2.456,1106 8.104,1107 23.358,1108 3.73,1109 14.256,1110 17.805,1111 1.599,1112 28.901,1113 13.792,1114 2.146,1115 7.054,1116 25.209,1117 3.628,1118 15.347,1119 19.147,1121 31.269,1122 14.827,1123 2.03,1124 6.372,1125 27.067,1126 3.426,1127 16.483,1128 20.604,1129 1.69,1130 33.662,1131 15.916,1132 1.718,1133 5.762,1134 28.931,1135 2.763,1136 17.599,1137 21.988,1139 36.046,1140 16.976,1141 10197,1142 16354,1143 21.671,1144 35.972,1145 48.073,1146 48.736,1147 48.849,1148 47.56,1149 47.618,1150 65.436,1151 2.117,1152 134.664,1153 45.962,1154 5.374,1155 5.571,1156 6.534,1157 5.255,1158 5.184,1159 7.269,1160 2.117,1161 18.229,1162 5.023,1163 12.231,1164 1.502,1165 1.523,1166 1.527,1167 1.486,1168 1.488,1169 2.045,1170 0.066,1171 4.208,1172 1.436,1173 4.048,1174 4.069,1175 4.275,1176 4.023,1177 7.429,1178 3.992,1179 3.919,1180 3.946,1181 3.875,1182 3.849,1183 4.95,1184 3.846,1185 3.84,1186 3.872,1187 3.81,1188 3.787,1189 4.801,1190 3.771,1191 3.68,1192 3.723,1193 3.726,1194 3.602,1195 4.723,1196 3.573,1197 3.35,1198 3.413,1199 3.254,1200 3.193,1201 4.596,1202 3.179,1203 3.273,1204 3.32,1205 3.139,1206 3.08,1207 3.981,1208 3.101,1209 3.133,1210 3.214,1211 2.987,1212 2.998,1213 3.91,1214 2.965,1215 2.854,1216 2.925,1217 2.792,1218 2.735,1219 3.868,1220 2.715,1221 0.142,1222 0.112,1223 0.21,1224 0.129,1225 0.1,1226 4.546,1227 0.133,1228 3.571,1229 0.033,1230 6.732,1231 0.345,1232 4.131,1233 0.094,1234 3.184,1235 4.269,1236 1.058,1237 11.029,1238 3.023,1239 1.948,1240 1.926,1241 2.049,1242 2.032,1243 1.172,1244 2.035,1245 1.906,1246 1.881,1247 2.02,1248 1.997,1249 1.081,1250 2.007,1251 1.823,1252 1.795,1253 1.912,1254 1.923,1255 1.063,1256 1.93,1257 1.589,1258 1.537,1259 1.837,1260 1.753,1261 0.991,1262 1.794,1263 1.321,1264 1.288,1265 1.556,1266 1.497,1267 0.64,1268 1.504,1269 1.202,1270 1.157,1271 1.356,1272 1.433,1273 0.434,1274 1.432,1275 1.109,1276 1.055,1277 1.277,1278 1.28,1279 0.326,1280 1.289,1281 0.962,1282 0.914,1283 1.181,1284 1.089,1285 0.298,1286 1.159,1287 4.174,1289 5.485,1290 2.398,1291 6.989,1292 4.727,1293 8.578,1294 6.843,1295 10.211,1297 4.195,1303 0.881,1305 2.892,1314 33.707,1315 75.16,1316 170.365,1317 219.874,1318 253.928,1319 262.683,1320 262.683,1321 42.625,1322 7.626,1323 54.88,1324 83.12,1325 23,1326 12.573,1327 4.644,1328 3.755,1329 44.566,1330 113,1331 120,1332 0.19,1333 211.794,1334 359.34,1335 508.538,1336 22154,1338 20.217,1339 0.697,1340 0.592,1341 20.571,1342 17.163,1343 14.135,1344 0.442,1345 0.323,1346 9.543,1347 13.435,1348 9.161,1349 7.674,1350 14.544,1351 10.35,1352 12.509,1353 0.284,1354 0.178,1355 13.151,1356 7.842,1357 10.509,1358 0.181,1359 0.1,1360 11.358,1361 5.814,1362 8.86,1363 0.115,1364 0.054,1365 9.715,1366 4.139,1367 7.196,1368 0.074,1369 0.03,1370 7.993,1371 2.9,1372 0.296,1373 90.743,1374 0.215,1375 27.434,1376 0.526,1377 152,1378 400.219,1379 186.277,1380 421.479,1381 588.26,1382 396,1383 178,1384 425.914,1385 209.65,1386 453.257,1387 663.2,1388 428,1389 5.1}
{0 CHEMBL371206,1 1.605,2 12,3 4.094,4 16.762,5 119.498,6 8.071,7 0.688,8 4.013,9 4.134,10 3.689,11 3.632,12 5.172,13 3.589,14 4.49,15 4.652,16 4.097,17 4.026,18 5.635,19 3.957,20 4.67,21 4.827,22 4.1,23 4.149,24 5.77,25 4.06,26 4.807,27 5.019,28 4.136,29 4.147,30 5.879,31 4.045,32 4.784,33 4.981,34 3.95,35 4.074,36 5.918,37 3.963,38 4.79,39 5.056,40 3.751,41 3.92,42 5.83,43 3.794,44 4.551,45 4.805,46 3.529,47 3.701,48 5.583,49 3.595,50 4.314,51 4.549,52 3.491,53 3.633,54 5.292,55 3.514,56 0.038,57 0.765,58 9.579,59 4.319,60 9.491,61 5.339,62 0.248,63 1.207,64 18.333,65 7.629,66 24.23,67 9.794,68 0.134,69 1.42,70 23.183,71 9.279,72 23.017,73 11.117,74 0.159,75 1.56,76 28.52,77 10.828,78 29.261,79 14.165,80 0.264,81 1.521,82 28.647,83 10.005,84 44.059,85 11.931,86 0.286,87 1.438,88 30.751,89 10.297,90 52.885,91 13.576,92 0.337,93 1.119,94 23.022,95 7.396,96 52.846,97 9.727,98 0.167,99 0.918,100 17.49,101 6.917,102 18.273,103 9.171,104 26,105 46,106 0.266,107 0.622,108 0.717,109 0.797,110 0.803,111 0.81,112 3.408,113 0.936,114 -4.9,115 -4.8,116 -4.51,119 44,120 3,142 7,143 5,144 2,147 1,148 1,152 1,159 1,161 1,163 1,164 1,165 1,172 12,174 1,175 3,177 1,178 3,179 1,180 5,183 19,185 1,188 2,193 5,196 13,198 1,200 8,202 1,203 1,205 10,208 9,210 2,213 9,218 8,221 4,223 3,225 8,230 7,233 4,235 2,238 1,243 3,246 8,250 1,253 2,254 1,255 1,257 1,258 12,264 2,269 2,272 10,276 1242,277 19.256,278 19.256,279 19.256,280 19.256,281 19.256,282 16.385,283 22.161,284 11.196,285 19.706,286 15.821,287 15.821,288 15.821,289 15.821,290 15.821,291 11.508,292 30.547,293 5.354,294 16.543,295 4.039,296 1.899,297 1.324,298 0.845,299 0.805,300 0.765,301 4.101,305 1,306 1,307 757,308 3.162,311 68.307,312 283.033,315 128.878,319 1.931,320 21.458,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 61.5,332 348,333 4.738,334 3.564,335 7.034,336 4.271,337 3.312,338 4.703,339 1.656,340 12.049,341 3.183,342 4.182,343 3.35,344 5.958,345 3.791,346 2.809,347 3.819,348 0.247,349 8.259,350 2.759,351 4.061,352 2.882,353 5.719,354 3.636,355 2.662,356 3.677,358 8.085,359 2.585,360 3.789,361 2.662,362 5.466,363 3.415,364 2.45,365 3.181,367 7.285,368 2.355,369 3.579,370 2.453,371 5.191,372 3.157,373 2.2,374 2.92,376 6.197,377 2.106,378 3.44,379 2.164,380 5.02,381 2.956,382 2.049,383 2.769,385 5.977,386 1.879,387 3.232,388 2.147,389 4.838,390 2.879,391 1.879,392 2.481,394 5.093,395 1.839,396 3.183,397 2.124,398 4.618,399 2.732,400 1.772,401 2.427,403 4.963,404 1.689,405 3.06,406 1.841,407 4.51,408 2.599,409 1.63,410 2.238,412 4.565,413 1.553,414 2.851,415 1.424,416 4.257,417 2.305,418 1.38,419 2.011,421 3.556,422 1.269,423 2.5,424 1,425 3.544,426 2,427 1,428 1.5,430 2.275,431 1,432 2.243,433 0.923,434 3.414,435 1.728,436 0.824,437 1.139,439 2.133,440 0.731,441 1.343,442 0.631,443 2.998,444 1.028,445 0.087,446 0.103,448 0.239,449 0.082,450 1.188,451 0.289,452 2.662,453 0.778,454 -0.213,455 -0.276,457 -0.567,458 -0.206,459 1.098,460 -0.105,461 2.445,462 0.653,463 -0.275,464 -0.362,466 -0.633,467 -0.244,468 14.167,469 0.489,470 0.856,471 0.03,472 41.5,473 1.431,474 23,475 0.793,476 18.5,477 0.638,478 23.168,479 0.799,480 29.633,481 0.593,482 30.027,483 1.035,484 8.042,485 0.277,486 5.86,487 0.202,488 0.158,490 0.388,496 0.885,497 1.086,498 0.753,499 0.829,500 0.78,501 0.815,502 0.409,503 0.849,504 0.692,505 0.805,506 0.44,507 0.772,508 1.108,509 1.209,510 1.197,511 1.182,512 1.039,513 1.12,514 0.738,515 1.18,516 0.84,517 1.079,518 0.69,519 1.003,520 1.602,521 1.208,522 1.372,523 1.243,524 1.529,525 1.228,526 1.226,527 0.954,528 0.924,529 0.892,530 1.233,531 0.918,532 1.725,533 0.795,534 0.886,535 0.696,536 1.95,537 0.85,538 0.555,539 0.786,540 0.804,541 0.909,542 0.592,543 0.933,544 7,545 0.136,546 2.667,547 3.194,548 1.979,549 0.941,550 0.487,551 0.367,552 0.292,553 0.218,554 11717,555 31154,556 2.07,557 42,558 6,559 7,561 1,562 4,563 3,567 1.714,568 1.912,569 3.505,570 1.629,572 1,577 80.237,578 1.605,579 3.745,580 4.32,581 4.799,582 4.839,583 4.879,584 2.922,585 4.418,586 4.832,587 3.744,588 1519.9,589 8.385,590 21255,592 1,595 282.193,596 1.487,597 4.777,598 0.219,599 0.007,600 0.058,601 0.069,602 0.044,603 0.025,604 0.016,605 0.015,606 0.012,607 0.009,608 0.474,609 0.17,610 1,611 0.605,612 149.232,613 -0.111,614 0.024,615 0.043,616 0.092,617 -0.145,618 0.071,619 0.386,620 0.206,621 0.225,622 0.18,623 0.214,624 0.171,625 -0.183,626 -0.149,627 -0.209,628 -0.163,629 -0.172,630 -0.187,631 0.121,632 -0.211,633 0.128,634 -0.088,635 0.16,636 -0.014,637 -0.306,638 -0.174,639 -0.34,640 -0.255,641 -0.185,642 -0.3,643 -0.092,644 -0.02,645 0.036,646 0.037,647 -0.021,648 0.075,649 -0.294,650 0.139,651 -0.013,652 0.169,653 -0.326,654 0.105,655 0.217,656 0.145,657 0.097,658 0.048,659 0.111,660 0.078,661 1.947,662 5.338,663 0.724,664 28.385,665 1,666 1.119,667 3.667,668 13.446,669 0.704,670 3.497,671 3.85,672 4.111,673 4.443,674 4.615,675 4.663,676 4.718,677 4.883,678 4.86,679 4.913,680 7.33,681 0.664,682 403.55,683 3.497,684 5.056,685 5.911,686 6.81,687 7.681,688 8.585,689 9.464,690 10.37,691 11.255,692 12.162,693 10,697 1,700 2,703 2,708 2,709 8,710 2,713 1,714 8,716 22,727 1,735 50,737 23,738 2,739 32,741 53,742 22,743 18,744 5,745 7,748 4,749 5,753 1,754 3,762 19,763 3,767 1,772 1,776 1,780 1,783 21,784 6,785 4,786 7,787 1,792 5,797 0.75,798 1,810 1,815 1,816 3,819 1,843 3,845 1,847 3,851 29,852 1,860 2,869 1,874 2,877 1,881 15.167,882 9.983,883 6.222,884 2.81,886 4.16,887 1.536,888 1.025,889 5.309,890 11.915,891 3.807,892 4.48,893 5.087,894 5.761,895 6.285,896 6.585,897 6.96,898 7.436,899 7.635,900 7.957,901 0.875,902 46,903 10.666,905 4.516,906 7.713,907 20.335,909 16.615,911 2.213,912 64.167,914 1,915 1,916 200.109,917 161.813,918 102.49,920 25.145,922 31.278,923 130.536,924 225.254,925 102.49,926 26.476,927 36.022,928 99.231,929 70.804,930 29.447,931 7.962,932 219.615,934 200.109,935 233.026,936 25.145,937 31.278,939 200.109,940 25.145,943 71.433,944 128.022,945 33.571,946 31.278,947 200.109,948 127.635,949 161.813,952 200.109,953 60.386,954 101.428,955 36.022,956 91.613,957 200.109,958 127.635,959 161.813,961 0.59,962 0.338,963 0.197,964 0.103,965 23,966 11,967 0.057,968 3,969 1,970 1.095,971 4.064,972 254.777,973 0.095,974 21,975 130.881,977 1,981 19.496,982 7.897,983 4.139,984 1.753,985 127.635,986 15.104,987 8.444,990 1.595,991 7.33,993 68.919,994 489.557,995 44,1000 12.338,1004 -0.28,1007 49.982,1008 55.943,1009 0.284,1010 0.664,1011 0.765,1012 0.85,1013 0.857,1014 0.864,1015 5.047,1016 1.772,1017 5.916,1018 5.093,1019 4.533,1020 5.168,1021 1.758,1022 6.746,1023 4.451,1024 6.29,1025 1.63,1026 7.484,1027 4.963,1028 4.205,1029 5.085,1030 1.195,1031 7.667,1032 4.102,1033 7.617,1034 1.38,1035 9.148,1036 4.565,1037 6.142,1038 7.446,1039 2.415,1040 10.803,1041 5.992,1042 8.977,1043 1,1044 10.869,1045 3.556,1046 6.581,1047 8.156,1048 2.324,1049 12.615,1050 6.406,1051 10.367,1052 0.824,1053 12.63,1054 2.275,1055 8.037,1056 10.029,1057 3.244,1058 15.3,1059 7.824,1060 11.78,1061 0.087,1062 14.422,1063 2.133,1064 8.856,1065 11.152,1066 3.407,1067 17.522,1068 8.61,1069 13.212,1070 -0.213,1071 16.24,1072 0.239,1073 10.123,1074 12.819,1075 4.156,1076 20.062,1077 9.841,1078 3.312,1079 -0.275,1080 18.08,1081 -0.567,1082 11.131,1083 14.156,1084 4.464,1085 22.452,1086 10.81,1087 2.809,1088 12.049,1089 19.938,1090 -0.633,1091 12.328,1092 15.738,1093 5.111,1094 24.952,1095 11.971,1096 2.662,1097 8.259,1098 21.812,1099 4.703,1100 13.428,1101 17.181,1102 5.504,1103 27.404,1104 13.028,1105 2.45,1106 8.085,1107 23.7,1108 3.819,1109 14.605,1110 18.732,1111 6.091,1112 29.894,1113 14.167,1114 2.2,1115 7.285,1116 25.598,1117 3.677,1118 15.749,1119 20.227,1120 6.531,1121 32.369,1122 15.268,1123 2.049,1124 6.197,1125 27.506,1126 3.181,1127 16.925,1128 21.769,1129 7.083,1130 34.857,1131 16.404,1132 1.879,1133 5.977,1134 29.422,1135 2.92,1136 18.09,1137 23.289,1138 7.551,1139 37.34,1140 17.526,1141 11097,1142 18285,1143 21.096,1144 35.222,1145 48.715,1146 49.273,1147 50.384,1148 48.05,1149 48.11,1150 65.938,1151 3.806,1152 141.349,1153 46.06,1154 5.606,1155 5.564,1156 6.57,1157 5.388,1158 5.312,1159 7.703,1160 2.912,1161 19.244,1162 5.183,1163 15.907,1164 1.522,1165 1.54,1166 1.574,1167 1.502,1168 1.503,1169 2.061,1170 0.119,1171 4.417,1172 1.439,1173 4.105,1174 4.122,1175 4.34,1176 4.098,1177 7.431,1178 4.059,1179 3.953,1180 3.985,1181 3.904,1182 3.888,1183 5.22,1184 3.883,1185 3.833,1186 3.868,1187 3.809,1188 3.763,1189 4.799,1190 3.752,1191 3.458,1192 3.512,1193 3.469,1194 3.25,1195 4.744,1196 3.26,1197 3.372,1198 3.431,1199 3.389,1200 3.158,1201 4.695,1202 3.185,1203 3.266,1204 3.35,1205 3.067,1206 3.125,1207 4.295,1208 3.101,1209 3.04,1210 3.124,1211 3.006,1212 2.882,1213 4.03,1214 2.87,1215 2.988,1216 3.102,1217 2.852,1218 2.738,1219 3.966,1220 2.739,1221 0.148,1222 0.111,1223 0.22,1224 0.133,1225 0.104,1226 4.738,1227 0.147,1228 3.564,1229 0.052,1230 7.034,1231 0.377,1232 4.271,1233 0.099,1234 3.312,1235 4.703,1236 1.656,1237 12.049,1238 3.183,1239 1.954,1240 1.93,1241 2.059,1242 2.05,1243 1.185,1244 2.05,1245 1.932,1246 1.905,1247 2.029,1248 2.015,1249 1.169,1250 2.021,1251 1.748,1252 1.717,1253 1.794,1254 1.904,1255 0.878,1256 1.886,1257 1.517,1258 1.495,1259 1.666,1260 1.652,1261 0.833,1262 1.675,1263 1.303,1264 1.241,1265 1.639,1266 1.559,1267 0.719,1268 1.557,1269 1.294,1270 1.226,1271 1.493,1272 1.507,1273 0.525,1274 1.554,1275 1.023,1276 0.952,1277 1.289,1278 1.265,1279 0.318,1280 1.287,1281 0.894,1282 0.821,1283 1.181,1284 1.262,1285 0.218,1286 1.257,1287 4.174,1289 5.517,1290 2.398,1291 7.043,1292 4.844,1293 8.659,1294 7.05,1295 10.323,1297 6.052,1301 6.088,1305 5.742,1314 33.223,1315 80.237,1316 187.257,1317 216.012,1318 239.928,1319 241.928,1320 243.928,1321 43.333,1322 7.755,1323 92.93,1324 121.17,1325 23,1326 12.684,1327 4.585,1328 3.7,1329 45.047,1330 132,1331 103,1332 0.17,1333 209.126,1334 349.38,1335 502.027,1336 26823,1338 20.543,1339 0.708,1340 0.594,1341 20.897,1342 17.224,1343 13.902,1344 0.434,1345 0.312,1346 9.15,1347 13.056,1348 8.712,1349 7.315,1350 14.31,1351 9.985,1352 13.177,1353 0.286,1354 0.178,1355 13.879,1356 8.208,1357 10.395,1358 0.173,1359 0.094,1360 11.107,1361 5.618,1362 9.662,1363 0.115,1364 0.054,1365 10.559,1366 4.495,1367 7.232,1368 0.072,1369 0.028,1370 8.047,1371 2.84,1372 0.272,1373 90.085,1374 0.218,1375 27.85,1376 0.448,1377 156,1378 421.864,1379 193.247,1380 443.315,1381 615.5,1382 414,1383 184,1384 448.661,1385 215.535,1386 478.399,1387 697.07,1388 448,1389 5.4}
{0 CHEMBL373598,1 1.808,2 12.387,3 2.663,4 7.09,5 111.663,6 8.451,7 0.364,8 4.089,9 4.189,10 3.738,11 3.538,12 5.289,13 3.562,14 4.619,15 4.769,16 4.072,17 3.883,18 5.805,19 3.88,20 4.888,21 5.085,22 4.227,23 4.015,24 6.055,25 4.005,26 4.891,27 5.073,28 4.251,29 4.051,30 6.135,31 4.033,32 4.942,33 5.122,34 4.276,35 4.135,36 6.147,37 4.102,38 5.015,39 5.196,40 4.341,41 4.202,42 6.224,43 4.163,44 5.066,45 5.252,46 4.342,47 4.25,48 6.273,49 4.203,50 5.022,51 5.241,52 4.11,53 4.096,54 6.224,55 4.015,56 0.205,57 0.762,58 9.158,59 4.475,60 22.257,61 5.27,62 0.637,63 1.123,64 19.839,65 7.557,66 52.894,67 9.22,68 1.014,69 1.325,70 32.566,71 9.562,72 89.53,73 12.174,74 1.088,75 1.349,76 31.129,77 9.668,78 90.663,79 12.393,80 1.058,81 1.458,82 33.931,83 10.316,84 93.06,85 13.136,86 1.169,87 1.563,88 35.887,89 10.941,90 103.93,91 13.984,92 1.123,93 1.652,94 39.595,95 11.586,96 114.084,97 14.926,98 1.163,99 1.46,100 39.037,101 10.896,102 134.307,103 14.596,104 24,105 43,106 0.301,107 0.642,108 0.764,109 0.856,110 0.892,111 0.904,112 3.472,113 0.924,114 -2.19,115 -2.23,116 -2.21,119 37.7,121 4,125 4,142 2,144 4,145 1,146 1,147 2,158 1,159 1,172 2,174 1,175 5,178 3,179 1,180 2,183 2,187 3,188 5,191 2,193 1,196 2,199 4,200 4,203 3,205 2,208 2,212 2,213 4,216 3,218 2,221 4,224 2,225 7,228 2,230 4,233 2,237 2,238 6,241 1,243 6,246 2,249 2,250 8,253 2,258 2,263 1,264 2,268 1,269 1,272 2,276 1379,277 21.223,278 21.223,279 21.223,280 21.223,281 21.223,282 19.476,283 29.592,284 13.105,285 21.986,286 16.246,287 16.246,288 16.246,289 16.246,290 16.246,291 13.38,292 39.265,293 6.177,294 17.553,295 3.92,296 1.878,297 1.146,298 0.595,299 0.377,300 0.302,301 4.159,302 1,305 1,306 1,307 804,308 3,312 123.521,319 1.973,320 45.242,323 1,324 0.83,325 1,326 1,327 1,328 1,329 1,330 0.98,331 69.833,332 384,333 4.388,334 4.073,335 6.322,336 3.965,337 3.027,338 4.066,339 2.035,340 9.686,341 2.826,342 4.316,343 3.578,344 6.175,345 3.84,346 2.911,347 3.961,348 1.656,349 9.185,350 2.7,351 3.844,352 3.326,353 5.817,354 3.472,355 2.542,356 3.162,357 0.86,358 7.907,359 2.356,360 3.695,361 3.042,362 5.407,363 3.283,364 2.361,365 3,366 0.86,367 7.086,368 2.137,369 3.426,370 2.889,371 4.859,372 2.92,373 1.974,374 2.564,375 0.86,376 5.544,377 1.855,378 3.207,379 2.37,380 4.541,381 2.817,382 1.856,383 2.23,384 0.247,385 4.681,386 1.783,387 3.063,388 2.343,389 4.409,390 2.674,391 1.758,392 2.181,394 4.369,395 1.577,396 2.836,397 2.097,398 3.914,399 2.55,400 1.628,401 1.798,403 3.606,404 1.497,405 2.737,406 2.006,407 3.763,408 2.478,409 1.527,410 1.656,412 3.236,413 1.424,414 2.652,415 1.794,416 3.52,417 2.162,418 1.242,419 1.359,421 2.715,422 1.126,423 2.362,424 1.61,425 3.321,426 1.804,427 0.94,428 1.159,430 2.087,431 0.781,432 2.036,433 1.371,434 3.092,435 1.628,436 0.722,437 0.999,439 1.457,440 0.65,441 1.769,442 1.136,443 2.915,444 1.525,445 0.628,446 0.705,448 1.15,449 0.556,450 1.541,451 0.873,452 2.755,453 1.242,454 0.347,455 0.392,457 0.662,458 0.298,459 1.346,460 0.744,461 2.629,462 0.86,463 -0.046,464 -0.05,466 -0.107,467 -0.041,468 14.381,469 0.464,470 0.571,471 0.018,472 40,473 1.29,474 19,475 0.613,476 21,477 0.677,478 27.53,479 0.888,480 34.819,481 0.657,482 32.091,483 1.035,484 7.665,485 0.247,486 7.436,487 0.24,488 0.124,490 0.278,496 0.899,497 1.477,498 0.64,499 1.147,500 0.674,501 0.959,502 0.995,503 1.183,504 0.772,505 1.044,506 0.662,507 0.994,508 1.087,509 0.909,510 0.823,511 0.855,512 0.8,513 0.805,514 0.956,515 0.997,516 0.849,517 0.928,518 0.732,519 0.906,520 0.965,521 1.048,522 1.064,523 1.057,524 0.918,525 1.03,526 0.965,527 1.067,528 1.035,529 1.053,530 0.881,531 1.052,532 0.994,533 1.135,534 1.219,535 1.168,536 0.993,537 1.134,538 1.015,539 0.974,540 1.161,541 1.069,542 1.044,543 1.131,544 5.5,545 0.138,546 2.667,547 1.813,548 1.738,549 1.125,550 0.831,551 0.53,552 0.341,553 0.208,554 11830,555 41329,556 2.031,557 41.5,558 2,559 10,561 1,562 3,564 4,565 2,567 1.741,568 1.918,569 3.541,570 0.972,572 1,577 95.814,578 1.808,579 3.85,580 4.582,581 5.133,582 5.351,583 5.426,584 3.084,585 4.825,586 4.926,587 3.666,588 1704.78,589 8.63,590 24008.4,592 1,595 303.58,596 1.318,597 4.892,598 0.167,599 0.006,600 0.062,601 0.038,602 0.035,603 0.023,604 0.016,605 0.01,606 0.009,607 0.008,608 0.373,609 0.33,610 0.88,611 1.276,612 160.322,613 -0.121,614 -0.23,615 0.013,616 -0.099,617 -0.036,618 -0.016,619 -0.021,620 -0.094,621 0.017,622 -0.047,623 0.027,624 -0.046,625 -0.033,626 0.065,627 0.131,628 0.113,629 0.006,630 0.163,631 0.085,632 0.001,633 0.082,634 0.054,635 0.1,636 0.06,638 -0.019,639 -0.065,640 -0.052,641 -0.033,642 -0.058,643 -0.001,644 -0.038,645 -0.057,646 -0.054,647 -0.019,648 -0.081,649 -0.071,650 -0.1,651 -0.172,652 -0.157,653 -0.071,654 -0.157,655 -0.071,656 -0.009,657 -0.14,658 -0.099,659 -0.026,660 -0.144,661 2.269,662 5.497,663 0.71,664 27.109,665 1.027,666 1.136,667 0.961,668 0.923,669 0.661,670 3.526,671 3.784,672 4.007,673 4.234,674 4.454,675 4.543,676 4.615,677 4.691,678 4.736,679 4.86,680 6.856,681 0.646,682 447.92,683 3.526,684 5.03,685 5.849,686 6.698,687 7.54,688 8.398,689 9.249,690 10.113,691 10.969,692 11.835,693 9.4,700 2,702 1,703 2,709 3,710 2,714 7,716 12,718 1,733 3,734 1,735 53,737 14,738 1,739 33,741 55,742 20,743 10,744 4,745 2,748 3,749 6,750 1,753 1,754 1,757 3,760 4,761 1,762 11,763 8,767 1,772 1,776 1,780 1,783 22,784 10,785 3,786 11,787 1,792 5,797 0.333,798 5,799 1,806 1,816 2,841 1,843 1,848 1,851 31,857 1,858 8,860 2,861 3,866 1,870 1,872 1,873 1,874 9.4,875 1,877 1,879 3,881 16.167,882 9.36,883 7.167,884 3.236,886 2.607,887 1.332,888 0.922,889 8.83,890 10.45,891 3.761,892 4.248,893 4.758,894 5.284,895 5.781,896 5.982,897 6.154,898 6.352,899 6.377,900 6.714,901 0.889,902 48,903 11.451,905 4.78,906 8.03,907 21.193,909 16.556,911 2.53,912 78.444,915 1,916 223.651,917 99.436,918 100.652,919 39.149,920 100.828,923 99.436,924 363.628,925 100.652,927 59.937,928 61.636,929 87.089,930 92.607,931 11.418,932 211.88,933 39.149,934 223.651,935 200.088,936 100.828,937 39.149,939 153.024,940 128.771,941 42.683,943 102.8,944 63.717,945 72.72,947 223.651,948 201.48,949 138.585,952 223.651,953 54.835,954 28,955 52.623,956 204.607,957 223.651,958 201.48,959 138.585,961 0.557,962 0.32,963 0.175,964 0.099,965 17,966 8,967 0.073,968 4,969 3,970 1.227,971 4.097,972 270.427,973 0.273,974 21,975 153.58,981 23.201,982 11.798,983 6.759,985 201.48,986 4.406,987 8.133,991 1.668,993 78.705,994 563.716,995 42,1000 12.497,1004 -0.602,1007 54.422,1008 60.219,1009 0.316,1010 0.672,1011 0.8,1012 0.896,1013 0.934,1014 0.947,1015 4.984,1016 1.628,1017 5.796,1018 4.369,1019 4.466,1020 4.934,1021 2.919,1022 6.544,1023 4.311,1024 6.154,1025 1.527,1026 7.311,1027 3.606,1028 3.892,1029 4.677,1030 1.195,1031 7.31,1032 3.659,1033 7.437,1034 1.242,1035 8.928,1036 3.236,1037 5.989,1038 7.044,1039 3.887,1040 10.399,1041 5.693,1042 8.755,1043 0.94,1044 10.606,1045 2.715,1046 6.256,1047 7.63,1048 2.324,1049 11.996,1050 5.872,1051 10.106,1052 0.722,1053 12.324,1054 2.087,1055 7.779,1056 9.467,1057 5.136,1058 14.571,1059 7.341,1060 11.48,1061 0.628,1062 14.068,1063 1.457,1064 8.462,1065 10.443,1066 3.407,1067 16.518,1068 7.936,1069 12.872,1070 0.347,1071 15.83,1072 1.15,1073 9.737,1074 12.055,1075 6.482,1076 18.899,1077 9.156,1078 3.027,1079 -0.046,1080 17.606,1081 0.662,1082 10.628,1083 13.227,1084 4.464,1085 21.005,1086 9.963,1087 2.911,1088 9.686,1089 19.392,1090 -0.107,1091 11.793,1092 14.733,1093 7.863,1094 23.307,1095 11.07,1096 2.542,1097 9.185,1098 21.186,1099 4.066,1100 12.786,1101 16.005,1102 5.504,1103 25.487,1104 11.984,1105 2.361,1106 7.907,1107 22.986,1108 3.961,1109 13.904,1110 17.458,1111 9.26,1112 27.758,1113 13.04,1114 1.974,1115 7.086,1116 24.791,1117 3.162,1118 14.947,1119 18.784,1120 6.531,1121 29.974,1122 14.007,1123 1.856,1124 5.544,1125 26.599,1126 3,1127 16.046,1128 20.209,1129 10.666,1130 32.233,1131 15.042,1132 1.758,1133 4.681,1134 28.411,1135 2.564,1136 17.113,1137 21.565,1138 7.551,1139 34.467,1140 16.036,1141 11662,1142 21988,1143 21.959,1144 35.012,1145 48.254,1146 51.66,1147 48.699,1148 47.009,1149 46.924,1150 58.465,1151 13.036,1152 126.741,1153 43.133,1154 5.333,1155 6.073,1156 6.231,1157 5.052,1158 5.027,1159 7.066,1160 4.069,1161 16.405,1162 4.826,1163 14.915,1164 1.462,1165 1.565,1166 1.476,1167 1.425,1168 1.422,1169 1.772,1170 0.395,1171 3.841,1172 1.307,1173 3.968,1174 3.993,1175 4.036,1176 3.858,1177 7.431,1178 3.867,1179 3.867,1180 3.898,1181 3.866,1182 3.694,1183 6.821,1184 3.728,1185 3.695,1186 3.757,1187 3.556,1188 3.552,1189 6.456,1190 3.54,1191 3.611,1192 3.664,1193 3.503,1194 3.418,1195 5.016,1196 3.416,1197 3.442,1198 3.48,1199 3.446,1200 3.186,1201 4.98,1202 3.232,1203 3.335,1204 3.393,1205 3.298,1206 3.112,1207 4.597,1208 3.119,1209 3.138,1210 3.188,1211 3.127,1212 2.93,1213 4.438,1214 2.963,1215 3.02,1216 3.063,1217 3.078,1218 2.786,1219 4.427,1220 2.787,1221 0.133,1222 0.123,1223 0.192,1224 0.12,1225 0.092,1226 4.388,1227 0.123,1228 4.073,1229 0.062,1230 6.322,1231 0.294,1232 3.965,1233 0.086,1234 3.027,1235 4.066,1236 2.035,1237 9.686,1238 2.826,1239 1.877,1240 1.865,1241 1.987,1242 2.013,1243 1.318,1244 1.994,1245 1.776,1246 1.735,1247 1.926,1248 1.98,1249 1.153,1250 1.958,1251 1.687,1252 1.63,1253 1.84,1254 1.863,1255 1.05,1256 1.873,1257 1.577,1258 1.52,1259 1.785,1260 1.793,1261 0.901,1262 1.806,1263 1.331,1264 1.278,1265 1.614,1266 1.621,1267 0.733,1268 1.6,1269 1.265,1270 1.217,1271 1.37,1272 1.523,1273 0.434,1274 1.502,1275 1.029,1276 0.985,1277 1.274,1278 1.305,1279 0.408,1280 1.288,1281 0.898,1282 0.844,1283 1.205,1284 1.219,1285 0.263,1286 1.196,1287 4.205,1289 5.476,1291 6.934,1293 8.491,1295 10.105,1298 6.286,1302 8.926,1303 3.821,1305 5.223,1306 17,1312 9.166,1313 1.919,1314 34.25,1315 95.814,1316 204.07,1317 242.825,1318 272.07,1319 283.58,1320 287.58,1321 74.456,1322 7.843,1323 138.62,1324 138.62,1325 27,1326 12.383,1327 3.907,1328 3.322,1329 57.959,1330 135,1331 153,1332 0.219,1333 216.376,1334 386.08,1335 519.718,1336 31933,1337 1.9,1338 22.054,1339 0.711,1340 0.563,1341 22.554,1342 17.445,1343 15.101,1344 0.458,1345 0.308,1346 9.606,1347 13.965,1348 9.476,1349 7.8,1350 15.39,1351 10.162,1352 12.754,1353 0.297,1354 0.162,1355 13.125,1356 6.969,1357 10.293,1358 0.191,1359 0.084,1360 10.647,1361 4.511,1362 8.432,1363 0.124,1364 0.043,1365 8.734,1366 2.939,1367 6.751,1368 0.079,1369 0.023,1370 7.041,1371 1.947,1372 0.343,1373 99.822,1374 0.213,1375 28.919,1376 0.604,1377 152,1378 576.896,1379 190.71,1380 565.771,1381 742.65,1382 528,1383 173,1384 502.575,1385 207.861,1386 507.625,1387 741.89,1388 477,1389 7.3}
{0 CHEMBL375284,1 1.475,2 11.269,3 4.171,4 17.4,5 102.684,6 7.782,7 0.759,8 3.893,9 4.015,10 3.504,11 3.497,12 5.055,13 3.478,14 4.356,15 4.503,16 3.846,17 3.877,18 5.509,19 3.834,20 4.579,21 4.764,22 3.827,23 3.975,24 5.64,25 3.901,26 4.635,27 4.86,28 3.776,29 3.912,30 5.694,31 3.826,32 4.566,33 4.789,34 3.648,35 3.787,36 5.693,37 3.709,38 4.453,39 4.696,40 3.502,41 3.647,42 5.518,43 3.56,44 4.255,45 4.487,46 3.287,47 3.489,48 5.288,49 3.398,50 4.112,51 4.342,52 3.269,53 3.416,54 5.127,55 3.323,56 0.058,57 0.653,58 8.061,59 3.611,60 7.233,61 4.6,62 0.166,63 1.009,64 13.782,65 6.086,66 17.799,67 8.049,68 0.138,69 1.216,70 18.884,71 7.695,72 23.429,73 10.097,74 0.117,75 1.249,76 21.745,77 8.547,78 27.314,79 11.699,80 0.228,81 1.154,82 20.871,83 7.385,84 41.668,85 9.647,86 0.188,87 1.019,88 19.3,89 6.899,90 34.939,91 9.301,92 0.196,93 0.846,94 15.507,95 5.419,96 31.115,97 7.146,98 0.117,99 0.739,100 12.982,101 5.254,102 15.252,103 7.231,104 5,105 40,106 0.251,107 0.555,108 0.695,109 0.834,110 0.871,111 0.879,112 3.304,113 0.865,114 -4.76,115 -4.68,116 -4.39,119 47.7,120 1,142 11,143 4,144 2,145 1,152 1,159 1,168 1,172 14,175 1,178 2,179 1,180 6,183 18,188 2,193 6,196 14,200 7,205 9,208 8,213 6,218 7,221 4,225 5,230 7,233 6,238 1,243 2,246 8,250 2,253 1,254 1,255 3,258 10,264 1,269 1,272 8,276 958,277 17.809,278 17.809,279 17.809,280 17.809,281 17.809,282 15.06,283 14.148,284 10.603,285 17.97,286 14.358,287 14.358,288 14.358,289 14.358,290 14.358,291 10.296,292 21.718,293 5.061,294 14.607,295 3.984,296 2.195,297 1.371,298 0.551,299 0.335,300 0.29,301 4.004,305 1,306 1,307 648,308 2.915,311 60.531,312 253.273,315 113.514,319 1.941,320 14.962,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 55,332 293,333 4.575,334 3.563,335 6.693,336 4.128,337 3.136,338 4.51,339 1.656,340 10.84,341 3.112,342 4.097,343 3.135,344 5.783,345 3.714,346 2.741,347 3.688,348 0.247,349 7.945,350 2.664,351 4.028,352 2.742,353 5.616,354 3.594,355 2.61,356 3.65,358 7.727,359 2.567,360 3.742,361 2.62,362 5.392,363 3.367,364 2.385,365 3.108,367 7.082,368 2.332,369 3.473,370 2.312,371 4.906,372 3.08,373 2.095,374 2.756,376 5.723,377 2.057,378 3.168,379 2.135,380 4.623,381 2.748,382 1.749,383 2.384,385 4.759,386 1.738,387 3.048,388 1.552,389 4.466,390 2.537,391 1.549,392 2.322,394 4.321,395 1.529,396 2.946,397 1.528,398 4.009,399 2.455,400 1.467,401 2.134,403 3.538,404 1.447,405 2.658,406 1.24,407 3.479,408 2.178,409 1.18,410 1.728,412 2.587,413 1.177,414 2.5,415 1,416 3.414,417 2,418 1,419 1.5,421 2.275,422 1,423 2.5,424 1,425 3.405,426 1.97,427 1,428 1.5,430 2.231,431 0.968,432 1.988,433 0.69,434 3.173,435 1.498,436 0.524,437 0.754,439 1.328,440 0.509,441 1.338,442 0.499,443 2.924,444 1.017,445 0.065,446 0.078,448 0.174,449 0.062,450 1.183,451 0.253,452 2.511,453 0.77,454 -0.232,455 -0.309,457 -0.561,458 -0.23,459 0.889,460 -0.132,461 2.298,462 0.567,463 -0.431,464 -0.534,466 -1.007,467 -0.43,468 12.433,469 0.478,470 0.571,471 0.022,472 38.75,473 1.49,474 22.5,475 0.865,476 16.25,477 0.625,478 16.341,479 0.628,480 25.967,481 0.59,482 27.116,483 1.043,484 7.883,485 0.303,486 4.803,487 0.185,488 0.067,490 0.322,496 0.769,497 0.987,498 0.759,499 0.85,500 0.617,501 0.804,502 0.509,503 1.064,504 0.821,505 0.99,506 0.518,507 0.953,508 1.069,509 1.11,510 1.094,511 1.094,512 1.012,513 1.095,514 0.867,515 1.154,516 0.921,517 1.099,518 0.764,519 1.03,520 1.604,521 1.021,522 1.14,523 0.995,524 1.705,525 1.008,526 1.34,527 1.001,528 0.99,529 0.936,530 1.417,531 0.925,532 1.573,533 0.909,534 1.174,535 0.892,536 1.654,537 0.969,538 0.614,539 0.895,540 0.844,541 0.993,542 0.667,543 0.958,544 5,545 0.11,546 2.444,547 1.688,548 1.008,549 0.674,550 0.43,551 0.218,552 0.195,553 0.152,554 9226,555 23395,556 2.148,557 40.9,558 3,559 11,561 1,562 3,567 1.684,568 2.053,569 3.453,570 0.898,572 1,577 64.918,578 1.475,579 3.264,580 4.089,581 4.908,582 5.124,583 5.17,584 2.874,585 4.287,586 4.674,587 3.674,588 1193.97,589 8.061,590 15494,592 1,594 1,595 240.215,596 1.239,597 4.65,598 0.172,599 0.006,600 0.061,601 0.044,602 0.029,603 0.022,604 0.017,605 0.01,606 0.009,607 0.008,608 0.38,609 0.33,610 1,611 0.465,612 129.426,613 -0.001,614 0.116,615 0.033,616 0.079,617 -0.074,618 0.064,619 0.265,620 -0.015,621 0.018,622 -0.039,623 0.119,624 -0.045,625 -0.154,626 -0.101,627 -0.186,628 -0.132,629 -0.139,630 -0.157,631 0.026,632 -0.196,633 0.059,634 -0.114,635 0.117,636 -0.037,637 -0.223,638 -0.034,639 -0.121,640 -0.039,641 -0.145,642 -0.06,643 -0.111,644 -0.044,645 0.052,646 0.041,647 -0.053,648 0.063,649 -0.286,650 0.081,651 -0.153,652 0.068,653 -0.274,654 -0.01,655 0.2,656 0.054,657 0.138,658 0.007,659 0.114,660 0.052,661 1.93,662 5.154,663 0.808,664 24.757,665 0.998,666 1.116,667 3.532,668 12.476,669 0.7,670 3.401,671 3.714,672 3.97,673 4.248,674 4.407,675 4.431,676 4.533,677 4.654,678 4.615,679 4.727,680 6.953,681 0.67,682 342.43,683 3.401,684 4.934,685 5.778,686 6.65,687 7.506,688 8.382,689 9.244,690 10.122,691 10.987,692 11.866,693 9.1,700 2,701 1,703 1,708 2,709 12,710 1,711 1,714 5,716 22,735 44,737 23,738 3,739 29,741 47,742 21,743 19,744 7,745 11,748 4,749 5,753 1,754 1,762 20,763 1,767 1,772 1,776 1,780 1,783 18,784 4,785 3,786 5,792 4,797 0.75,798 1,807 1,815 1,816 3,819 1,843 3,847 1,851 26,860 2,874 2.3,877 1,881 12.667,882 8.117,883 5.667,884 2.492,886 4.071,887 1.546,888 1.042,889 4.422,890 11.523,891 3.738,892 4.373,893 4.974,894 5.608,895 6.112,896 6.373,897 6.794,898 7.231,899 7.393,900 7.802,901 1,902 38,903 9.548,905 4.039,906 7.686,907 18.242,909 14.888,911 2.186,912 56.833,915 1,916 176.567,917 146.174,918 69.348,920 25.145,923 146.174,924 201.711,925 69.348,926 8.825,927 36.022,928 104.239,929 53.579,930 43.354,931 6.42,932 164.795,934 176.567,935 215.522,936 25.145,939 176.567,940 25.145,943 70.557,944 128.302,945 16.663,947 176.567,948 94.492,949 146.174,952 176.567,953 24.063,954 122.111,955 52.685,956 41.808,957 176.567,958 94.492,959 146.174,961 0.578,962 0.332,963 0.187,964 0.095,965 20,966 8,967 0.064,968 3,969 1,970 1.095,971 3.953,972 214.977,973 0.095,974 21,975 114.211,981 16.369,982 7.023,983 3.634,984 2.077,985 77.829,986 23.335,987 4.1,988 2.979,991 4.776,993 52.685,994 417.233,995 41,1000 12.154,1004 -0.264,1007 43.92,1008 49.109,1009 0.27,1010 0.598,1011 0.749,1012 0.899,1013 0.939,1014 0.947,1015 4.945,1016 1.467,1017 5.746,1018 4.321,1019 4.394,1020 5.059,1021 1.758,1022 6.526,1023 4.362,1024 6.16,1025 1.18,1026 7.279,1027 3.538,1028 3.892,1029 4.796,1030 1.195,1031 7.345,1032 3.851,1033 7.461,1034 1,1035 8.909,1036 2.587,1037 5.953,1038 7.296,1039 2.415,1040 10.449,1041 5.887,1042 8.799,1043 1,1044 10.599,1045 2.275,1046 6.275,1047 7.885,1048 2.324,1049 12.146,1050 6.2,1051 10.168,1052 0.524,1053 12.33,1054 2.231,1055 7.784,1056 9.825,1057 3.244,1058 14.758,1059 7.692,1060 11.56,1061 0.065,1062 14.09,1063 1.328,1064 8.506,1065 10.848,1066 3.407,1067 16.84,1068 8.406,1069 12.97,1070 -0.232,1071 15.873,1072 0.174,1073 9.78,1074 12.538,1075 4.156,1076 19.291,1077 9.668,1078 3.136,1079 -0.431,1080 17.675,1081 -0.561,1082 10.702,1083 13.791,1084 4.464,1085 21.543,1086 10.584,1087 2.741,1088 10.84,1089 19.492,1090 -1.007,1091 11.877,1092 15.367,1093 5.111,1094 23.943,1095 11.75,1096 2.61,1097 7.945,1098 21.321,1099 4.51,1100 12.9,1101 16.741,1102 5.504,1103 26.268,1104 12.767,1105 2.385,1106 7.727,1107 23.161,1108 3.688,1109 14.036,1110 18.268,1111 6.091,1112 28.654,1113 13.897,1114 2.095,1115 7.082,1116 25.01,1117 3.65,1118 15.11,1119 19.703,1120 6.531,1121 31.011,1122 14.966,1123 1.749,1124 5.723,1125 26.867,1126 3.108,1127 16.234,1128 21.211,1129 7.083,1130 33.393,1131 16.085,1132 1.549,1133 4.759,1134 28.731,1135 2.756,1136 17.334,1137 22.679,1138 7.551,1139 35.764,1140 17.18,1141 8592,1142 13810,1143 19.879,1144 30.807,1145 43.515,1146 44.017,1147 44.044,1148 42.933,1149 43.004,1150 60.227,1151 3.806,1152 121.063,1153 42.326,1154 5.441,1155 5.563,1156 6.25,1157 5.168,1158 5.136,1159 7.51,1160 2.912,1161 17.999,1162 5.112,1163 9.374,1164 1.501,1165 1.518,1166 1.519,1167 1.48,1168 1.483,1169 2.077,1170 0.131,1171 4.175,1172 1.46,1173 4.127,1174 4.163,1175 4.091,1176 4.046,1177 7.431,1178 4.052,1179 3.936,1180 3.972,1181 3.875,1182 3.858,1183 5.097,1184 3.856,1185 3.847,1186 3.884,1187 3.788,1188 3.76,1189 4.77,1190 3.763,1191 3.445,1192 3.496,1193 3.39,1194 3.189,1195 4.723,1196 3.228,1197 3.327,1198 3.394,1199 3.234,1200 3.139,1201 4.37,1202 3.156,1203 3.152,1204 3.233,1205 2.976,1206 2.999,1207 4.036,1208 2.985,1209 2.988,1210 3.042,1211 2.887,1212 2.866,1213 3.885,1214 2.868,1215 2.854,1216 2.925,1217 2.693,1218 2.735,1219 3.79,1220 2.715,1221 0.158,1222 0.123,1223 0.231,1224 0.142,1225 0.108,1226 4.575,1227 0.156,1228 3.563,1229 0.057,1230 6.693,1231 0.374,1232 4.128,1233 0.107,1234 3.136,1235 4.51,1236 1.656,1237 10.84,1238 3.112,1239 2.013,1240 1.994,1241 2.091,1242 2.079,1243 1.24,1244 2.083,1245 1.914,1246 1.884,1247 2.036,1248 2.012,1249 1.131,1250 2.02,1251 1.785,1252 1.755,1253 1.895,1254 1.895,1255 0.989,1256 1.896,1257 1.332,1258 1.27,1259 1.56,1260 1.645,1261 0.615,1262 1.598,1263 1.277,1264 1.206,1265 1.455,1266 1.57,1267 0.425,1268 1.543,1269 1.153,1270 1.084,1271 1.363,1272 1.385,1273 0.331,1274 1.415,1275 1.018,1276 0.962,1277 1.222,1278 1.187,1279 0.273,1280 1.208,1281 0.891,1282 0.829,1283 1.181,1284 1.096,1285 0.218,1286 1.108,1287 4.078,1289 5.389,1290 2.398,1291 6.891,1292 4.595,1293 8.48,1294 6.605,1295 10.116,1297 1.988,1305 5.688,1314 29.488,1315 64.918,1316 143.632,1317 179.897,1318 215.95,1319 225.46,1320 227.46,1321 32.607,1322 7.452,1323 69.81,1324 69.81,1325 23,1326 12.406,1327 4.585,1328 3.7,1329 38.359,1330 111,1331 92,1332 0.169,1333 181.608,1334 302.57,1335 434.884,1336 18718,1338 17.933,1339 0.69,1340 0.549,1341 17.933,1342 14.284,1343 12.687,1344 0.437,1345 0.288,1346 8.282,1347 12.349,1348 8.059,1349 6.742,1350 12.687,1351 8.361,1352 11.445,1353 0.286,1354 0.154,1355 11.445,1356 6.163,1357 9.394,1358 0.181,1359 0.081,1360 9.394,1361 4.214,1362 8.263,1363 0.12,1364 0.043,1365 8.263,1366 2.969,1367 6.249,1368 0.077,1369 0.023,1370 6.249,1371 1.873,1372 0.272,1373 78.468,1374 0.224,1375 25.564,1376 0.445,1377 138,1378 368.379,1379 147.596,1380 369.459,1381 514.87,1382 346,1383 161,1384 390.243,1385 169.905,1386 400.622,1387 578.69,1388 377,1389 6.1}
{0 CHEMBL377300,1 1.737,2 10.667,3 3.998,4 15.98,5 99.425,6 8.053,7 0.667,8 3.969,9 4.075,10 3.595,11 3.442,12 5.155,13 3.465,14 4.486,15 4.641,16 3.993,17 3.812,18 5.66,19 3.837,20 4.673,21 4.828,22 4.062,23 3.886,24 5.958,25 3.901,26 4.729,27 4.929,28 3.971,29 3.855,30 5.902,31 3.848,32 4.586,33 4.771,34 3.866,35 3.781,36 5.811,37 3.768,38 4.608,39 4.805,40 3.857,41 3.815,42 5.79,43 3.786,44 4.648,45 4.862,46 3.806,47 3.755,48 5.861,49 3.727,50 4.533,51 4.767,52 3.644,53 3.611,54 5.74,55 3.565,56 0.152,57 0.756,58 8.482,59 4.074,60 13.139,61 4.746,62 0.381,63 1.172,64 16.916,65 6.524,66 31.722,67 8.026,68 0.805,69 1.343,70 21.689,71 7.604,72 60.193,73 8.969,74 0.757,75 1.404,76 25.402,77 8.334,78 56.999,79 10.3,80 0.713,81 1.27,82 20.691,83 6.914,84 54.499,85 8.53,86 0.552,87 1.336,88 21.105,89 7.571,90 47.249,91 9.541,92 0.686,93 1.316,94 23.28,95 7.274,96 62.388,97 9.311,98 0.779,99 1.072,100 22.034,101 6.623,102 72.722,103 8.856,104 29,105 44,106 0.295,107 0.697,108 0.839,109 0.879,110 0.879,111 0.879,112 3.341,113 0.853,114 -4.07,115 -4.02,116 -3.81,119 41.3,120 3,125 1,127 1,142 3,143 2,144 3,147 1,148 1,151 1,152 3,166 1,172 3,174 2,175 3,180 5,183 2,187 3,188 8,191 1,193 1,196 3,199 2,200 5,208 2,212 2,213 3,216 1,218 1,221 3,225 6,228 1,230 1,233 4,238 5,241 2,246 3,250 6,253 3,255 1,258 1,264 2,267 1,269 1,272 1,276 1105,277 17.947,278 17.947,279 17.947,280 17.947,281 17.947,282 15.51,283 16.375,284 10.319,285 18.49,286 14.794,287 14.794,288 14.794,289 14.794,290 14.794,291 11.091,292 17.207,293 4.912,294 15.754,295 3.786,296 1.421,297 0.587,298 0.354,299 0.354,300 0.354,301 4.033,304 1,305 1,306 1,307 624,308 3.317,311 114.081,312 133.657,315 206.551,319 1.654,320 35.117,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 60.5,332 288,333 4.697,334 3.478,335 6.894,336 4.216,337 3.265,338 4.663,339 0.86,340 11.511,341 3.104,342 4.597,343 3.344,344 6.654,345 4.109,346 3.144,347 4.557,348 0.86,349 10.635,350 3.03,351 3.908,352 2.899,353 5.827,354 3.486,355 2.563,356 3.39,358 8.054,359 2.356,360 3.704,361 2.687,362 5.658,363 3.29,364 2.363,365 3.132,367 7.362,368 2.18,369 3.391,370 2.489,371 5.161,372 3.082,373 2.148,374 2.762,376 6.014,377 1.996,378 3.235,379 2.206,380 4.821,381 2.904,382 1.961,383 2.545,385 5.214,386 1.845,387 3.199,388 2.004,389 4.72,390 2.785,391 1.814,392 2.354,394 5.129,395 1.753,396 3.104,397 1.916,398 4.657,399 2.641,400 1.68,401 2.229,403 4.833,404 1.607,405 2.875,406 1.775,407 4.465,408 2.391,409 1.479,410 2.012,412 4.072,413 1.341,414 2.433,415 1.233,416 3.592,417 1.997,418 1.074,419 1.411,421 2.515,422 0.986,423 2.068,424 1.095,425 3.52,426 1.558,427 0.625,428 0.881,430 1.684,431 0.574,432 1.674,433 0.965,434 3.182,435 1.409,436 0.536,437 0.596,439 1.269,440 0.463,441 1.614,442 0.611,443 2.995,444 1.238,445 0.348,446 0.424,448 0.864,449 0.305,450 1.073,451 0.122,452 2.563,453 0.635,454 -0.28,455 -0.352,457 -0.723,458 -0.251,459 0.876,460 -0.085,461 2.351,462 0.548,463 -0.374,464 -0.453,466 -0.923,467 -0.342,468 12.386,469 0.459,470 0.822,471 0.03,472 35.25,473 1.306,474 17,475 0.63,476 18.25,477 0.676,478 22.503,479 0.833,480 29.614,481 0.644,482 26.603,483 0.985,484 7.059,485 0.261,486 5.877,487 0.218,488 0.171,490 0.436,494 1,496 0.8,497 1.164,498 0.708,499 1.113,500 0.736,501 0.933,502 0.903,503 1.076,504 0.679,505 0.96,506 0.694,507 0.797,508 1.116,509 1.081,510 0.972,511 1.018,512 1.038,513 0.972,514 1.229,515 1.071,516 0.947,517 0.944,518 1.012,519 0.892,520 1.104,521 1.029,522 1.069,523 0.969,524 1.051,525 0.995,526 1.025,527 1.204,528 1.01,529 1.114,530 1.236,531 1.07,532 1.159,533 1.065,534 1.08,535 0.979,536 1.144,537 1,538 0.938,539 0.9,540 0.978,541 0.852,542 1.049,543 0.897,544 6,545 0.139,546 3.333,547 2.799,548 1.743,549 0.896,550 0.67,551 0.505,552 0.311,553 0.2,554 8592,555 25146,556 2.075,557 41.3,558 3,559 6,560 1,561 1,562 2,563 3,564 3,567 1.702,568 1.906,569 3.355,570 0.304,572 1,577 79.908,578 1.737,579 4.102,580 4.936,581 5.17,582 5.17,583 5.17,584 2.883,585 4.533,586 4.724,587 3.526,588 1237.64,589 8.21,590 15509,592 1,594 1,595 254.084,596 1.506,597 4.668,598 0.2,599 0.009,600 0.076,601 0.064,602 0.044,603 0.025,604 0.019,605 0.015,606 0.011,607 0.01,608 0.472,609 0.33,610 1,611 1.155,612 132.838,613 -0.059,614 -0.103,615 0.044,616 -0.063,617 -0.111,618 0.001,619 -0.029,620 -0.092,621 0.187,622 0.042,623 0.015,624 0.147,625 0.049,626 -0.058,627 -0.038,628 -0.042,630 -0.063,631 -0.067,632 -0.043,633 0.059,634 0.039,635 -0.014,636 0.069,637 -0.013,638 0.062,639 -0.118,640 0.002,641 -0.032,642 -0.067,643 -0.05,644 -0.084,645 -0.068,646 -0.107,647 -0.096,648 -0.098,649 -0.101,650 -0.037,651 -0.087,652 -0.031,653 -0.041,654 -0.055,655 0.107,656 0.125,657 0.05,658 0.101,659 0.054,660 0.077,661 2.122,662 6.836,663 0.667,664 23.61,665 1.021,666 1.137,667 2.843,668 8.082,669 0.661,670 3.434,671 3.807,672 4.111,673 4.431,674 4.644,675 4.745,676 4.883,677 5.056,678 5.075,679 5.153,680 6.212,681 0.648,682 370.42,683 3.434,684 5.004,685 5.878,686 6.786,687 7.681,688 8.594,689 9.498,690 10.412,691 11.321,692 12.236,693 8.7,701 2,703 2,706 1,708 3,709 5,710 2,711 1,714 6,716 20,733 2,734 1,735 46,737 20,738 1,739 30,741 49,742 19,743 14,744 4,745 2,748 4,749 6,754 3,760 1,762 14,763 5,780 1,781 1,783 19,784 6,785 2,786 8,792 4,797 0.5,798 3,800 1,811 2,815 2,816 2,819 2,841 1,843 2,847 3,849 1,851 27,857 1,858 1,861 2,863 1,873 1,874 6.5,875 1,879 2,881 14.167,882 9.276,883 5.778,884 2.678,886 4.102,887 1.526,888 0.969,889 4.598,890 11.9,891 3.714,892 4.425,893 5.103,894 5.788,895 6.315,896 6.687,897 7.118,898 7.595,899 7.785,900 8.174,901 1,902 44,903 10.005,905 4.363,906 7.92,907 18.636,909 15.259,911 2.42,912 65.333,915 1,916 200.109,917 114.389,918 51.398,920 64.683,921 14.96,923 114.389,924 264.792,925 66.358,926 26.476,927 4.592,928 80.16,929 45.22,930 73.934,931 38.591,932 176.567,934 200.109,935 165.787,936 79.643,939 179.756,940 57.313,941 42.683,943 57.636,944 74.702,945 33.449,947 215.069,948 116.081,949 114.389,952 200.109,953 41.818,954 73.734,955 16.786,956 113.092,957 200.109,958 131.041,959 114.389,961 0.594,962 0.345,963 0.192,964 0.107,965 23,966 11,967 0.102,968 5,969 2,970 1.222,971 3.805,972 240.336,973 0.222,974 18,975 128.382,981 17.922,982 6.926,983 3.296,984 1.74,985 113.092,986 8.071,987 8.316,988 3.093,991 2.008,993 59.469,994 445.539,995 40,1007 46.971,1008 52.283,1009 0.314,1010 0.743,1011 0.894,1012 0.936,1013 0.936,1014 0.936,1015 4.97,1016 1.68,1017 5.894,1018 5.129,1019 4.489,1020 5.112,1021 1.376,1022 6.758,1023 4.368,1024 6.224,1025 1.479,1026 7.488,1027 4.833,1028 4.205,1029 5.13,1031 7.748,1032 4.043,1033 7.567,1034 1.074,1035 9.181,1036 4.072,1037 6.133,1038 7.472,1039 1.159,1040 10.888,1041 5.912,1042 8.951,1043 0.625,1044 10.93,1045 2.515,1046 6.648,1047 8.329,1049 12.718,1050 6.387,1051 10.368,1052 0.536,1053 12.718,1054 1.684,1055 8.087,1056 10.171,1057 0.963,1058 15.389,1059 7.777,1060 11.811,1061 0.348,1062 14.532,1063 1.269,1064 8.965,1065 11.41,1067 17.569,1068 8.618,1069 13.273,1070 -0.28,1071 16.367,1072 0.864,1073 10.225,1074 13.06,1075 0.787,1076 20.078,1077 9.834,1078 3.265,1079 -0.374,1080 18.217,1081 -0.723,1082 11.267,1083 14.468,1085 22.401,1086 10.837,1087 3.144,1088 11.511,1089 20.081,1090 -0.923,1091 12.462,1092 16.043,1093 0.634,1094 24.853,1095 11.989,1096 2.563,1097 10.635,1098 21.954,1099 4.663,1100 13.575,1101 17.522,1103 27.234,1104 13.061,1105 2.363,1106 8.054,1107 23.836,1108 4.557,1109 14.749,1110 19.069,1111 0.504,1112 29.667,1113 14.192,1114 2.148,1115 7.362,1116 25.725,1117 3.39,1118 15.893,1119 20.577,1121 32.073,1122 15.293,1123 1.961,1124 6.014,1125 27.619,1126 3.132,1127 17.061,1128 22.114,1129 0.395,1130 34.501,1131 16.417,1132 1.814,1133 5.214,1134 29.517,1135 2.762,1136 18.218,1137 23.635,1139 36.918,1140 17.53,1141 8254,1142 14278,1143 19.709,1144 30.415,1145 46.328,1146 47.189,1147 48.027,1148 45.947,1149 45.999,1150 61.914,1151 3.44,1152 138.311,1153 43.083,1154 5.528,1155 5.478,1156 6.421,1157 5.318,1158 5.265,1159 7.663,1160 1.72,1161 18.834,1162 5.104,1163 15.066,1164 1.544,1165 1.573,1166 1.601,1167 1.532,1168 1.533,1169 2.064,1170 0.115,1171 4.61,1172 1.436,1173 4.156,1174 4.19,1175 4.131,1176 4.041,1177 8.201,1178 4.056,1179 4.079,1180 4.12,1181 4.053,1182 3.929,1183 6.451,1184 3.957,1185 3.631,1186 3.677,1187 3.507,1188 3.424,1189 5.167,1190 3.431,1191 3.505,1192 3.546,1193 3.426,1194 3.359,1195 4.92,1196 3.365,1197 3.349,1198 3.417,1199 3.256,1200 3.142,1201 4.651,1202 3.165,1203 3.085,1204 3.164,1205 2.953,1206 2.86,1207 4.474,1208 2.869,1209 2.99,1210 3.06,1211 2.899,1212 2.81,1213 4.12,1214 2.815,1215 2.951,1216 3.025,1217 2.736,1218 2.75,1219 4.058,1220 2.736,1221 0.157,1222 0.116,1223 0.23,1224 0.141,1225 0.109,1226 4.697,1227 0.155,1228 3.478,1229 0.029,1230 6.894,1231 0.384,1232 4.216,1233 0.103,1234 3.265,1235 4.663,1236 0.86,1237 11.511,1238 3.104,1239 1.92,1240 1.905,1241 1.978,1242 2.063,1243 1.125,1244 2.026,1245 1.777,1246 1.735,1247 1.87,1248 1.973,1249 1.067,1250 1.942,1251 1.631,1252 1.59,1253 1.837,1254 1.856,1255 0.985,1256 1.854,1257 1.605,1258 1.547,1259 1.806,1260 1.792,1261 0.886,1262 1.799,1263 1.493,1264 1.438,1265 1.689,1266 1.677,1267 0.725,1268 1.693,1269 1.057,1270 1.001,1271 1.367,1272 1.331,1273 0.464,1274 1.342,1275 0.989,1276 0.926,1277 1.263,1278 1.234,1279 0.342,1280 1.233,1281 0.919,1282 0.844,1283 1.239,1284 1.172,1285 0.324,1286 1.205,1287 4.111,1289 5.468,1290 3.045,1291 7.008,1292 5.476,1293 8.639,1294 7.627,1295 10.322,1297 5.339,1299 14.836,1302 9.419,1303 0.152,1306 11.394,1308 -0.597,1314 29.828,1315 79.908,1316 188.7,1317 227.064,1318 237.819,1319 237.819,1320 237.819,1321 49.96,1322 7.798,1323 84.67,1324 84.67,1325 22,1326 12.749,1327 4.392,1328 3.459,1329 40.178,1330 99,1331 105,1332 0.199,1333 180.396,1334 299.54,1335 431.927,1336 26295,1337 2.2,1338 19.129,1339 0.708,1340 0.561,1341 18.259,1342 15.155,1343 12.936,1344 0.431,1345 0.284,1346 8.357,1347 12.22,1348 8.1,1349 6.732,1350 12.508,1351 8.532,1352 12.287,1353 0.279,1354 0.148,1355 11.866,1356 6.53,1357 10.227,1358 0.17,1359 0.071,1360 9.604,1361 4.271,1362 8.849,1363 0.107,1364 0.036,1365 8.462,1366 3.007,1367 7.175,1368 0.07,1369 0.019,1370 6.829,1371 1.933,1372 0.309,1373 82.673,1374 0.225,1375 25.677,1376 0.556,1377 148,1378 525,1379 169.761,1380 471.776,1381 645.59,1382 442,1383 178,1384 487.218,1385 201.614,1386 480.361,1387 710.57,1388 451,1389 5}
{0 CHEMBL377383,1 1.896,2 11.08,3 2.215,4 4.905,5 96.404,6 8.928,7 0.462,8 3.86,9 3.953,10 3.708,11 3.432,12 5.022,13 3.389,14 4.375,15 4.512,16 3.98,17 3.764,18 5.771,19 3.722,20 4.591,21 4.744,22 4.113,23 3.856,24 5.971,25 3.813,26 4.581,27 4.752,28 3.893,29 3.791,30 5.896,31 3.725,32 4.551,33 4.757,34 3.779,35 3.694,36 5.848,37 3.618,38 4.404,39 4.59,40 3.711,41 3.602,42 5.672,43 3.521,44 4.387,45 4.588,46 3.502,47 3.514,48 5.651,49 3.425,50 4.336,51 4.588,52 3.477,53 3.449,54 5.401,55 3.339,56 0.153,57 0.631,58 9.053,59 4.323,60 23.444,61 4.521,62 0.467,63 0.933,64 18.45,65 7.167,66 59.967,67 7.956,68 0.713,69 1.062,70 24.344,71 8.221,72 82.634,73 9.038,74 0.609,75 1.04,76 25.261,77 8.139,78 75.523,79 9.269,80 0.744,81 0.969,82 24.029,83 7.426,84 84.547,85 9.139,86 0.559,87 0.86,88 24.383,89 6.882,90 77.483,91 8.168,92 0.62,93 0.843,94 19.975,95 6.17,96 81.858,97 7.241,98 0.519,99 0.762,100 23.573,101 6.529,102 70.961,103 8.215,104 55,105 37,106 0.331,107 0.691,108 0.813,109 0.844,110 0.844,111 0.844,112 3.266,113 1.113,114 -3.01,115 -3.01,116 -2.9,119 37.2,120 1,124 1,125 2,142 5,143 1,144 3,146 1,147 1,158 1,163 1,164 1,165 1,172 4,174 2,175 2,178 1,180 2,183 4,185 1,187 1,188 7,191 1,193 4,196 3,198 1,200 7,202 2,203 2,205 2,212 1,213 5,215 1,216 2,217 1,220 1,221 2,225 5,230 2,233 3,235 1,238 4,241 2,243 2,246 2,248 1,250 2,255 2,258 1,260 2,263 2,264 2,269 2,272 3,274 2,276 911,277 15.98,278 15.98,279 15.98,280 15.98,281 15.98,282 14.034,283 18.149,284 9.258,285 16.628,286 12.735,287 12.735,288 12.735,289 12.735,290 12.735,291 9.674,292 18.596,293 4.28,294 13.81,295 3.531,296 1.47,297 0.77,298 0.593,299 0.593,300 0.593,301 3.921,302 1,304 1,305 1,306 1,307 562,308 4,312 189.34,319 1.69,320 41.452,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 55.833,332 277,333 4.801,334 5.18,335 7.111,336 4.179,337 3.313,338 4.66,339 2.95,340 11.657,341 2.865,342 4.424,343 3.584,344 6.419,345 3.987,346 3.054,347 4.114,348 1.081,349 9.795,350 2.839,351 3.938,352 3.323,353 5.925,354 3.575,355 2.613,356 3.435,357 0.86,358 8.136,359 2.475,360 3.84,361 2.79,362 5.351,363 3.424,364 2.441,365 3.241,366 0.473,367 6.991,368 2.358,369 3.31,370 2.517,371 5.057,372 2.92,373 2.007,374 2.556,376 5.754,377 1.824,378 3.119,379 2.43,380 4.589,381 2.627,382 1.661,383 2.333,385 4.731,386 1.593,387 2.83,388 2.007,389 4.24,390 2.335,391 1.382,392 1.879,394 3.785,395 1.287,396 2.5,397 1.6,398 3.436,399 2.017,400 1.13,401 1.5,403 2.275,404 1,405 2.213,406 1.311,407 3.414,408 2,409 1,410 1.197,412 2.102,413 0.98,414 1.809,415 1.063,416 3.126,417 1.498,418 0.55,419 0.646,421 1.253,422 0.498,423 1.482,424 1,425 2.793,426 1.084,427 0.265,428 0.303,430 0.54,431 0.189,432 1,433 0.806,434 2.63,435 0.634,436 -0.292,437 -0.353,439 -0.606,440 -0.268,441 1,442 0.08,443 2.515,444 0.556,445 -0.42,446 -0.532,448 -0.988,449 -0.399,450 0.965,451 -0.09,452 2.058,453 0.167,454 -0.779,455 -0.916,457 -1.628,458 -0.686,459 0.5,460 -0.241,461 2,463 -1,464 -1.198,466 -2.804,467 -0.781,468 12.081,469 0.483,470 0.867,471 0.035,472 33.25,473 1.33,474 17.5,475 0.7,476 15.75,477 0.63,478 19.147,479 0.766,480 28.119,481 0.654,482 26,483 1.04,484 6.486,485 0.259,486 5.232,487 0.209,488 0.258,489 0.069,490 0.29,496 0.66,497 1.293,498 0.727,499 1.142,500 0.717,501 0.915,502 0.764,503 1.153,504 0.839,505 1.029,506 0.585,507 0.872,508 1.083,509 1.078,510 0.894,511 0.988,512 1.085,513 0.956,514 1.165,515 1.178,516 1.134,517 1.112,518 1.163,519 1.147,520 1.002,521 0.852,522 0.882,523 0.773,524 0.911,525 0.951,526 0.982,527 1.151,528 1.17,529 1.194,530 1.004,531 1.151,532 1.23,533 0.97,534 0.998,535 0.871,536 1.297,537 1.076,538 0.937,539 0.698,540 0.819,541 0.7,542 0.915,543 0.755,544 7,545 0.132,546 3.778,547 1.75,548 1.587,549 1.132,550 0.385,551 0.271,552 0.329,553 0.203,554 6838,555 26445,556 1.897,557 41.9,559 12,562 3,564 3,567 1.676,568 1.714,569 3.419,570 1.084,571 1,572 1,577 81.516,578 1.896,579 3.957,580 4.656,581 4.833,582 4.833,583 4.833,584 2.903,585 4.134,586 4.617,587 3.625,588 1087.63,589 7.96,590 13674.9,592 1,594 1,595 233.329,596 1.743,597 4.522,598 0.269,599 0.008,600 0.102,601 0.046,602 0.05,603 0.04,604 0.015,605 0.013,606 0.016,607 0.01,608 0.57,609 0.33,610 1,611 1.177,612 122.612,613 -0.018,614 -0.035,615 0.116,616 -0.013,617 -0.163,618 0.042,619 0.106,620 -0.047,621 0.032,622 0.013,623 0.189,624 0.087,625 -0.031,626 -0.052,627 0.014,628 -0.032,629 -0.059,630 -0.024,631 -0.175,632 -0.17,633 -0.207,634 -0.194,635 -0.146,636 -0.211,637 -0.016,638 0.107,639 -0.043,640 0.052,641 -0.015,642 -0.016,643 -0.062,644 -0.166,645 -0.151,646 -0.233,647 -0.061,648 -0.175,649 -0.214,650 0.026,651 -0.199,652 -0.02,653 -0.222,654 -0.163,655 -0.084,656 0.208,657 0.12,658 0.204,659 -0.09,660 0.261,661 4.167,662 5.241,663 0.48,664 22.893,665 1.025,666 1.128,667 1.777,668 3.158,669 0.684,670 3.296,671 3.638,672 3.807,673 3.932,674 4.127,675 4.159,676 4.06,677 3.912,678 4.025,679 4.007,680 6.686,681 0.655,682 383.89,683 3.296,684 4.844,685 5.666,686 6.538,687 7.382,688 8.253,689 9.103,690 9.974,691 10.826,692 11.697,693 7,697 1,700 1,703 1,709 5,710 1,714 6,716 12,723 1,727 1,733 1,734 1,735 43,737 15,738 1,739 26,741 44,742 16,743 11,744 2,745 4,746 1,748 2,749 2,750 1,754 1,762 12,763 4,767 3,770 1,772 3,776 1,779 1,780 1,783 18,784 7,785 3,786 9,787 2,792 3,797 1,798 4,809 1,816 2,843 2,845 1,847 2,848 1,851 25,852 1,854 1,858 2,860 1,861 1,873 1,874 9.3,877 3,879 1,881 14.583,882 8.176,883 5.5,884 2.372,886 2.31,887 1.347,888 0.956,889 6.274,890 8.96,891 3.584,892 4.22,893 4.668,894 5.121,895 5.631,896 5.806,897 5.868,898 5.597,899 5.972,900 6.171,901 1,902 38,903 9.388,905 4.131,906 8.208,907 16.921,909 13.447,911 2.708,912 67.694,916 176.567,917 99.411,918 67.693,919 39.149,920 80.458,922 6.046,923 93.365,924 296.173,925 67.693,926 16.016,927 24.709,928 86.324,929 90.948,930 24.75,931 4.815,932 176.567,933 39.149,934 176.567,935 161.058,936 80.458,937 45.195,939 141.253,940 115.771,943 36.291,944 107.982,945 61.98,947 176.567,948 148.151,949 138.559,951 6.046,952 176.567,953 29.968,954 63.397,955 18.011,956 169.289,957 176.567,958 148.151,959 138.559,961 0.592,962 0.332,963 0.156,964 0.087,965 16,966 9,967 0.136,968 6,970 1,971 3.581,972 190.837,974 12,975 110.096,980 1,981 19.506,982 8.041,983 5.078,985 148.151,986 7.607,987 4.056,991 1.506,993 50.908,994 463.277,995 35,998 -3.251,1000 35.095,1004 -0.448,1007 44.084,1008 48.518,1009 0.349,1010 0.729,1011 0.858,1012 0.891,1013 0.891,1014 0.891,1015 4.828,1016 1.13,1017 5.714,1018 3.785,1019 4.317,1020 4.905,1021 3.121,1022 6.553,1023 4.164,1024 6.092,1025 1,1026 7.315,1027 2.275,1028 4.205,1029 5.112,1031 7.748,1032 3.902,1033 7.459,1034 0.55,1035 9.028,1036 2.102,1037 6.009,1038 7.244,1039 5.052,1040 10.709,1041 5.678,1042 8.865,1043 0.265,1044 10.805,1045 1.253,1046 6.648,1047 8.204,1049 12.663,1050 6.131,1051 10.304,1052 -0.292,1053 12.623,1054 0.54,1055 8.023,1056 9.926,1057 7.188,1058 15.244,1059 7.471,1060 11.764,1061 -0.42,1062 14.468,1063 -0.606,1064 8.967,1065 11.193,1067 17.486,1068 8.229,1069 13.242,1070 -0.779,1071 16.333,1072 -0.988,1073 10.2,1074 12.78,1075 9.348,1076 19.959,1077 9.397,1078 3.313,1079 -1,1080 18.213,1081 -1.628,1082 11.272,1083 14.182,1085 22.317,1086 10.297,1087 3.054,1088 11.657,1089 20.106,1090 -2.804,1091 12.458,1092 15.722,1093 11.511,1094 24.76,1095 11.39,1096 2.613,1097 9.795,1098 22.009,1099 4.66,1100 13.587,1101 17.186,1103 27.166,1104 12.359,1105 2.441,1106 8.136,1107 23.919,1108 4.114,1109 14.761,1110 18.712,1111 13.675,1112 29.605,1113 13.421,1114 2.007,1115 6.991,1116 25.837,1117 3.435,1118 15.915,1119 20.207,1121 32.034,1122 14.425,1123 1.661,1124 5.754,1125 27.76,1126 3.241,1127 17.088,1128 21.729,1129 15.838,1130 34.475,1131 15.474,1132 1.382,1133 4.731,1134 29.688,1135 2.556,1136 18.256,1137 23.24,1139 36.914,1140 16.496,1141 7012,1142 13921,1143 16.008,1144 29.432,1145 38.917,1146 42.798,1147 40.415,1148 38.896,1149 38.833,1150 51.731,1151 10.727,1152 114.037,1153 35.815,1154 5.673,1155 7.18,1156 6.874,1157 5.233,1158 5.313,1159 7.66,1160 5.9,1161 18.545,1162 4.865,1163 17.125,1164 1.497,1165 1.646,1166 1.554,1167 1.496,1168 1.494,1169 1.99,1170 0.413,1171 4.386,1172 1.377,1173 4.082,1174 4.062,1175 4.735,1176 4.094,1177 7.716,1178 3.996,1179 3.923,1180 3.942,1181 4.03,1182 3.801,1183 7.429,1184 3.814,1185 3.705,1186 3.706,1187 3.754,1188 3.639,1189 6.999,1190 3.573,1191 3.485,1192 3.546,1193 3.492,1194 3.271,1195 5.183,1196 3.271,1197 3.374,1198 3.424,1199 3.293,1200 3.159,1201 4.806,1202 3.175,1203 3.003,1204 3.097,1205 3.095,1206 2.838,1207 4.694,1208 2.827,1209 2.931,1210 2.984,1211 2.846,1212 2.735,1213 4.475,1214 2.715,1215 2.854,1216 2.925,1217 2.709,1218 2.659,1219 4.274,1220 2.686,1221 0.185,1222 0.199,1223 0.273,1224 0.161,1225 0.127,1226 4.801,1227 0.179,1228 5.18,1229 0.113,1230 7.111,1231 0.448,1232 4.179,1233 0.11,1234 3.313,1235 4.66,1236 2.95,1237 11.657,1238 2.865,1239 1.986,1240 1.996,1241 2.023,1242 2.049,1243 1.247,1244 2.087,1245 1.832,1246 1.812,1247 1.88,1248 1.978,1249 0.982,1250 1.961,1251 1.6,1252 1.609,1253 1.778,1254 1.75,1255 0.944,1256 1.793,1257 1.462,1258 1.392,1259 1.616,1260 1.695,1261 0.887,1262 1.729,1263 1.274,1264 1.227,1265 1.49,1266 1.533,1267 0.602,1268 1.527,1269 0.954,1270 0.905,1271 1.181,1272 1.256,1273 0.218,1274 1.247,1275 0.886,1276 0.821,1277 1.18,1278 1.117,1279 0.161,1280 1.111,1281 0.829,1282 0.756,1283 1.06,1284 1.062,1285 0.095,1286 1.107,1287 3.97,1289 5.303,1291 6.821,1293 8.42,1295 10.061,1297 2.9,1298 5.98,1301 5.765,1303 0.543,1305 2.684,1306 5.256,1314 28.152,1315 81.516,1316 170.136,1317 200.21,1318 207.82,1319 207.82,1320 207.82,1321 73.932,1322 6.65,1323 111.38,1324 119.76,1325 12,1326 12.243,1327 4,1328 3.322,1329 51.985,1330 101,1331 86,1332 0.253,1333 184.801,1334 322.24,1335 442.674,1336 6122,1337 2.3,1338 18.613,1339 0.745,1340 0.613,1341 19.363,1342 15.317,1343 11.719,1344 0.451,1345 0.371,1346 7.457,1347 10.191,1348 7.025,1349 5.849,1350 12.902,1351 9.65,1352 11.255,1353 0.304,1354 0.207,1355 12.975,1356 7.641,1357 8.487,1358 0.193,1359 0.109,1360 9.764,1361 4.782,1362 6.124,1363 0.122,1364 0.056,1365 6.86,1366 2.783,1367 4.813,1368 0.079,1369 0.03,1370 5.439,1371 1.849,1372 0.405,1373 86.067,1374 0.25,1375 24.578,1376 0.671,1377 126,1378 461.296,1379 189.148,1380 488.656,1381 632.16,1382 446,1383 144,1384 401.03,1385 211.353,1386 445.808,1387 642.81,1388 414,1389 5.078}
{0 CHEMBL377408,1 1.866,2 9.808,3 0.732,4 0.535,5 96.924,6 8.731,7 0.444,8 3.869,9 3.97,10 3.699,11 3.403,12 5.124,13 3.389,14 4.355,15 4.489,16 3.935,17 3.729,18 5.869,19 3.71,20 4.57,21 4.729,22 4.039,23 3.854,24 5.93,25 3.83,26 4.616,27 4.773,28 4.047,29 3.832,30 6.096,31 3.814,32 4.683,33 4.877,34 3.869,35 3.769,36 6.136,37 3.733,38 4.555,39 4.768,40 3.728,41 3.667,42 5.862,43 3.614,44 4.459,45 4.663,46 3.715,47 3.548,48 6.095,49 3.509,50 4.316,51 4.535,52 3.558,53 3.48,54 5.637,55 3.407,56 0.18,57 0.677,58 9.514,59 3.803,60 36.016,61 4.003,62 0.523,63 0.965,64 16.085,65 6.371,66 84.257,67 7.239,68 0.574,69 1.147,70 20.353,71 7.671,72 87.888,73 8.631,74 0.615,75 1.209,76 23.187,77 7.67,78 101.185,79 8.58,80 0.969,81 1.167,82 24.915,83 7.25,84 138.555,85 8.551,86 0.628,87 1.021,88 21.892,89 6.833,90 115.22,91 8.43,92 0.782,93 0.917,94 19.866,95 5.87,96 163.718,97 7.392,98 0.547,99 0.815,100 18.844,101 5.96,102 87.615,103 7.3,104 60,105 38,106 0.323,107 0.711,108 0.824,109 0.871,110 0.879,111 0.879,112 3.304,113 1.005,114 -1.2,115 -1.29,116 -1.37,119 37.2,120 1,125 2,142 5,143 2,144 2,146 1,147 1,158 2,163 2,164 2,165 2,172 4,174 2,175 5,177 2,178 3,180 3,183 5,185 2,187 1,188 5,191 1,193 4,196 2,198 2,199 2,200 8,202 3,203 3,205 4,208 1,210 2,212 1,213 5,215 1,216 4,217 2,218 3,220 2,221 1,223 1,225 4,230 1,233 2,235 1,237 3,238 5,240 1,241 2,243 2,246 3,248 1,249 2,250 4,252 1,253 1,255 2,258 2,260 2,264 3,269 2,272 3,274 2,276 980,277 16.903,278 16.903,279 16.903,280 16.903,281 16.903,282 14.89,283 18.249,284 9.903,285 17.369,286 13.198,287 13.198,288 13.198,289 13.198,290 13.198,291 9.922,292 17.182,293 4.471,294 13.877,295 3.56,296 1.313,297 0.66,298 0.39,299 0.343,300 0.343,301 3.961,305 1,306 1,307 515,308 4.123,312 192.258,319 1.544,320 46.655,323 1,324 0.83,325 1,326 0.6,328 0.83,329 0.5,330 0.68,331 58.5,332 255,333 4.842,334 4.685,335 7.247,336 4.295,337 3.375,338 4.704,339 2.035,340 12.232,341 3.078,342 4.473,343 4.087,344 6.504,345 4.042,346 3.077,347 4.167,348 1.081,349 10.156,350 2.969,351 3.973,352 3.568,353 5.954,354 3.603,355 2.614,356 3.416,357 0.86,358 8.289,359 2.575,360 3.845,361 3.074,362 5.585,363 3.379,364 2.385,365 3.295,366 0.473,367 7.331,368 2.366,369 3.34,370 2.642,371 5.062,372 2.922,373 2.01,374 2.558,376 5.777,377 1.824,378 3.281,379 2.375,380 4.343,381 2.571,382 1.595,383 2.15,385 4.083,386 1.553,387 2.942,388 1.878,389 4.116,390 2.373,391 1.381,392 1.981,394 3.383,395 1.361,396 2.752,397 1.664,398 3.632,399 2.149,400 1.177,401 1.717,403 2.827,404 1.144,405 2.66,406 1.538,407 3.582,408 2.082,409 1.151,410 1.437,412 2.332,413 1.056,414 2.181,415 1.289,416 3.087,417 1.706,418 0.773,419 1.029,421 1.384,422 0.717,423 1.8,424 1.053,425 2.891,426 1.433,427 0.441,428 0.571,430 0.925,431 0.432,432 1.345,433 0.833,434 2.693,435 0.709,436 -0.218,437 -0.297,439 -0.331,440 -0.201,441 1,442 0.362,443 2.601,444 0.619,445 -0.31,446 -0.43,448 -0.669,449 -0.287,450 1,451 -0.092,452 2.31,453 0.536,454 -0.443,455 -0.555,457 -1.07,458 -0.423,459 0.935,460 -0.188,461 2,462 0.161,463 -0.802,464 -1.017,466 -1.722,467 -0.759,468 12.167,469 0.468,470 0.813,471 0.031,472 36.75,473 1.413,474 20.5,475 0.788,476 16.25,477 0.625,478 18.539,479 0.713,480 28.633,481 0.666,482 30.126,483 1.159,484 7.187,485 0.276,486 5.087,487 0.196,488 0.222,489 0.068,490 0.288,496 0.726,497 1.256,498 0.829,499 1.211,500 0.752,501 0.883,502 0.691,503 1.075,504 0.868,505 1.021,506 0.487,507 0.9,508 1.088,509 1.136,510 0.872,511 0.969,512 0.928,513 0.923,514 1.054,515 1.314,516 1.175,517 1.33,518 1.02,519 1.162,520 1.215,521 0.865,522 1.123,523 0.883,524 1.264,525 1.043,526 1.155,527 1.001,528 0.899,529 0.902,530 1.225,531 1.013,532 0.996,533 0.858,534 0.861,535 0.804,536 0.979,537 0.935,538 0.948,539 0.79,540 0.91,541 0.801,542 0.962,543 0.852,544 6.5,545 0.194,546 3.778,547 2.375,548 1.724,549 1.194,550 0.55,551 0.309,552 0.292,553 0.294,554 7003,555 26938,556 1.901,557 39.5,559 9,562 5,564 3,567 1.692,568 1.724,569 3.268,570 2.672,572 1,577 80.233,578 1.866,579 4.113,580 4.767,581 5.037,582 5.083,583 5.083,584 2.662,585 4.181,586 4.676,587 3.485,588 1132.61,589 8.106,590 14404.3,592 1,595 233.329,596 1.725,597 4.583,598 0.241,599 0.009,600 0.099,601 0.058,602 0.043,603 0.036,604 0.02,605 0.011,606 0.012,607 0.013,608 0.542,609 0.17,610 0.88,611 1.231,612 127.422,613 -0.05,614 -0.008,615 0.168,616 -0.018,617 -0.173,618 0.075,619 0.207,620 0.008,621 0.043,622 0.026,623 0.251,624 0.06,625 -0.119,626 -0.123,627 0.034,628 0.023,629 -0.071,630 0.041,631 -0.063,632 -0.245,633 -0.171,634 -0.299,635 -0.034,636 -0.23,637 -0.086,638 0.118,639 -0.226,640 -0.02,641 -0.154,642 -0.142,643 -0.197,644 -0.071,645 -0.031,646 -0.028,647 -0.198,648 -0.042,649 0.092,650 0.079,651 0.034,652 0.061,653 0.192,654 0.006,655 -0.016,656 0.144,657 0.083,658 0.169,659 -0.033,660 0.16,661 4.835,662 5.339,663 0.462,664 21.692,665 1.028,666 1.133,667 -0.028,668 0.001,669 0.676,670 3.332,671 3.664,672 3.871,673 4.078,674 4.205,675 4.19,676 4.174,677 4.025,678 4.043,679 4.19,680 6.273,681 0.658,682 375.45,683 3.332,684 4.875,685 5.707,686 6.592,687 7.445,688 8.331,689 9.19,690 10.076,691 10.938,692 11.822,693 11.6,697 2,700 1,702 1,703 1,709 5,710 1,714 6,716 12,718 1,723 1,727 1,733 1,735 43,737 16,738 1,739 27,741 44,742 16,743 11,744 2,745 4,746 1,748 2,749 2,754 1,761 1,762 12,763 3,767 3,770 1,772 3,776 1,779 1,780 1,783 17,784 9,785 5,786 10,787 1,792 5,797 1,798 4,809 1,816 2,843 2,845 1,847 1,851 26,852 2,855 1,858 2,860 1,861 1,866 1,870 1,872 1,874 9.3,877 3,879 1,881 15.083,882 7.817,883 5.861,884 2.344,886 2.59,887 1.385,888 0.959,889 6.169,890 9.323,891 3.664,892 4.263,893 4.762,894 5.293,895 5.723,896 5.883,897 6.118,898 5.876,899 6.016,900 6.404,901 1,902 41,903 9.849,905 4.445,906 8.349,907 17.261,909 13.601,911 2.849,912 74.083,916 141.253,917 108.268,918 130.044,920 80.458,922 5.807,923 102.461,924 221.711,925 130.044,926 8.825,927 24.709,928 117.377,929 107.55,930 55.495,931 4.815,932 141.253,934 141.253,935 232.505,936 80.458,937 5.807,939 105.94,940 115.771,943 67.35,944 148.369,945 22.593,947 141.253,948 210.502,949 108.268,951 5.807,952 141.253,953 29.653,954 56.206,955 34.612,956 192.491,957 141.253,958 210.502,959 108.268,961 0.58,962 0.338,963 0.182,964 0.095,965 16,966 9,967 0.136,968 6,970 1,971 3.582,972 206.538,974 12,975 120.211,980 1,981 19.672,982 8.153,983 4.716,985 210.502,986 7.291,987 3.998,991 0.254,993 82.199,994 460.024,995 38,998 -3.919,1000 35.517,1004 -0.605,1007 44.196,1008 48.74,1009 0.344,1010 0.758,1011 0.878,1012 0.928,1013 0.937,1014 0.937,1015 4.913,1016 1.177,1017 5.746,1018 3.383,1019 4.344,1020 4.949,1021 2.606,1022 6.611,1023 4.25,1024 6.177,1025 1.151,1026 7.356,1027 2.827,1028 4.205,1029 5.112,1031 7.847,1032 4.05,1033 7.54,1034 0.773,1035 9.081,1036 2.332,1037 6.043,1038 7.288,1039 3.669,1040 10.861,1041 5.838,1042 8.944,1043 0.441,1044 10.874,1045 1.384,1046 6.686,1047 8.241,1049 12.869,1050 6.398,1051 10.382,1052 -0.218,1053 12.709,1054 0.925,1055 8.081,1056 9.982,1057 4.99,1058 15.498,1059 7.742,1060 11.845,1061 -0.31,1062 14.574,1063 -0.331,1064 9.044,1065 11.258,1067 17.794,1068 8.61,1069 13.326,1070 -0.443,1071 16.458,1072 -0.669,1073 10.293,1074 12.855,1075 6.385,1076 20.316,1077 9.798,1078 3.375,1079 -0.802,1080 18.359,1081 -1.07,1082 11.388,1083 14.269,1085 22.725,1086 10.797,1087 3.077,1088 12.232,1089 20.271,1090 -1.722,1091 12.591,1092 15.817,1093 7.799,1094 25.219,1095 11.927,1096 2.614,1097 10.156,1098 22.193,1099 4.704,1100 13.742,1101 17.294,1103 27.676,1104 12.983,1105 2.385,1106 8.289,1107 24.124,1108 4.167,1109 14.934,1110 18.827,1111 9.218,1112 30.165,1113 14.094,1114 2.01,1115 7.331,1116 26.061,1117 3.416,1118 16.11,1119 20.333,1121 32.643,1122 15.176,1123 1.595,1124 5.777,1125 28.004,1126 3.295,1127 17.302,1128 21.864,1129 10.638,1130 35.135,1131 16.282,1132 1.381,1133 4.083,1134 29.952,1135 2.558,1136 18.49,1137 23.385,1139 37.623,1140 17.377,1141 7220,1142 14305,1143 16.701,1144 29.063,1145 41.214,1146 45.194,1147 42.081,1148 40.007,1149 39.956,1150 54.049,1151 8.897,1152 117.434,1153 38.154,1154 5.723,1155 6.685,1156 7.01,1157 5.35,1158 5.375,1159 7.704,1160 4.069,1161 19.718,1162 5.078,1163 17.245,1164 1.526,1165 1.674,1166 1.559,1167 1.482,1168 1.48,1169 2.002,1170 0.33,1171 4.349,1172 1.413,1173 4.077,1174 4.064,1175 4.73,1176 4.065,1177 7.726,1178 3.984,1179 3.936,1180 3.957,1181 3.926,1182 3.814,1183 7.429,1184 3.832,1185 3.646,1186 3.64,1187 3.723,1188 3.556,1189 6.999,1190 3.472,1191 3.498,1192 3.552,1193 3.423,1194 3.283,1195 6.82,1196 3.301,1197 3.431,1198 3.492,1199 3.272,1200 3.225,1201 5.111,1202 3.23,1203 3.146,1204 3.205,1205 3.07,1206 2.99,1207 4.831,1208 2.996,1209 3.002,1210 3.106,1211 2.878,1212 2.728,1213 4.76,1214 2.76,1215 2.844,1216 2.896,1217 2.753,1218 2.599,1219 4.674,1220 2.612,1221 0.179,1222 0.174,1223 0.268,1224 0.159,1225 0.125,1226 4.842,1227 0.174,1228 4.685,1229 0.075,1230 7.247,1231 0.453,1232 4.295,1233 0.114,1234 3.375,1235 4.704,1236 2.035,1237 12.232,1238 3.078,1239 1.975,1240 1.979,1241 2.018,1242 2.052,1243 1.227,1244 2.079,1245 1.856,1246 1.834,1247 1.911,1248 1.995,1249 0.982,1250 1.976,1251 1.47,1252 1.489,1253 1.782,1254 1.717,1255 0.905,1256 1.739,1257 1.453,1258 1.396,1259 1.559,1260 1.66,1261 0.694,1262 1.695,1263 1.36,1264 1.308,1265 1.278,1266 1.594,1267 0.511,1268 1.59,1269 1.098,1270 1.051,1271 1.217,1272 1.284,1273 0.186,1274 1.271,1275 0.898,1276 0.819,1277 1.153,1278 1.265,1279 0.114,1280 1.242,1281 0.769,1282 0.693,1283 1.081,1284 1.029,1285 0.074,1286 1.033,1287 4.007,1289 5.333,1291 6.855,1293 8.471,1295 10.135,1297 1.704,1301 10.934,1303 0.158,1305 2.546,1306 5.237,1312 9.095,1313 1.872,1314 28.314,1315 80.233,1316 176.849,1317 204.965,1318 216.574,1319 218.574,1320 218.574,1321 83.454,1322 6.733,1323 161.19,1324 169.57,1325 12,1326 12.359,1327 4.087,1328 3.585,1329 54.982,1330 99,1331 86,1332 0.275,1333 184.202,1334 323.75,1335 441.213,1336 6763,1338 19.32,1339 0.743,1340 0.566,1341 19.57,1342 14.708,1343 12.273,1344 0.455,1345 0.335,1346 7.498,1347 10.967,1348 7.198,1349 6,1350 13.168,1351 9.045,1352 11.401,1353 0.3,1354 0.176,1355 12.77,1356 6.687,1357 8.566,1358 0.182,1359 0.093,1360 9.312,1361 4.372,1362 7.086,1363 0.122,1364 0.051,1365 7.79,1366 2.978,1367 5.21,1368 0.079,1369 0.027,1370 5.702,1371 1.772,1372 0.431,1373 86.824,1374 0.245,1375 25.007,1376 0.756,1377 130,1378 488.05,1379 179.904,1380 490.873,1381 641.44,1382 446,1383 150,1384 428.179,1385 206.841,1386 468.125,1387 673.7,1388 435,1389 5.6}
{0 CHEMBL378627,1 1.782,2 11.355,3 1.912,4 3.658,5 115.081,6 8.155,7 0.375,8 4.1,9 4.194,10 3.847,11 3.595,12 5.306,13 3.577,14 4.625,15 4.775,16 4.114,17 3.916,18 5.957,19 3.905,20 4.807,21 4.942,22 4.234,23 4.06,24 6.114,25 4.058,26 4.912,27 5.073,28 4.329,29 4.122,30 6.323,31 4.098,32 4.989,33 5.163,34 4.216,35 4.138,36 6.311,37 4.092,38 4.984,39 5.176,40 4.109,41 4.102,42 6.295,43 4.024,44 5,45 5.227,46 3.898,47 3.964,48 6.239,49 3.891,50 4.827,51 5.088,52 3.876,53 3.821,54 6.19,55 3.741,56 0.185,57 0.795,58 12.71,59 5.428,60 26.033,61 5.985,62 0.657,63 1.152,64 24.845,65 8.702,66 78.858,67 10.088,68 0.761,69 1.372,70 27.319,71 9.211,72 94.473,73 10.399,74 0.935,75 1.511,76 30.553,77 10.889,78 102.021,79 13.369,80 1.219,81 1.571,82 35.262,83 10.822,84 124.979,85 13.274,86 0.989,87 1.544,88 37.157,89 11.87,90 129.259,91 14.975,92 1.226,93 1.441,94 37.697,95 9.34,96 180.166,97 12.513,98 0.979,99 1.185,100 33.564,101 9.653,102 160.308,103 13.694,104 127,105 46,106 0.294,107 0.647,108 0.796,109 0.816,110 0.822,111 0.84,112 3.472,113 1.032,114 -2.22,115 -2.26,116 -2.24,119 36.4,120 2,121 1,124 3,127 1,142 3,143 2,144 4,147 2,158 2,163 1,164 1,165 1,172 2,174 2,175 10,178 2,180 4,183 4,185 2,188 7,193 1,196 2,199 5,200 10,202 3,203 4,204 1,205 2,207 1,208 3,212 4,213 4,216 1,218 1,221 1,224 2,225 7,227 1,228 3,230 5,233 4,235 3,237 1,238 3,243 1,246 2,248 1,249 4,250 5,253 2,255 1,258 3,260 1,263 1,264 3,266 1,267 1,269 1,272 3,274 1,276 1567,277 19.823,278 19.823,279 19.823,280 19.823,281 19.823,282 17.774,283 29.502,284 11.334,285 20.666,286 15.597,287 15.597,288 15.597,289 15.597,290 15.597,291 12.112,292 40.237,293 5.112,294 16.805,295 4,296 1.856,297 0.955,298 0.832,299 0.796,300 0.687,301 4.128,305 1,306 1,307 706,308 4.69,312 238.974,319 1.698,320 54.81,323 1,324 0.83,325 1,326 1,327 0.5,328 0.83,329 0.5,330 0.81,331 70,332 352,333 4.856,334 5.192,335 7.258,336 4.278,337 3.397,338 4.722,339 2.95,340 12.298,341 3.01,342 4.45,343 4.087,344 6.486,345 4.012,346 3.058,347 4.138,348 2.035,349 10.099,350 2.921,351 4.227,352 3.641,353 6.183,354 3.801,355 2.845,356 3.845,357 1.987,358 9.202,359 2.676,360 3.787,361 3.183,362 5.502,363 3.408,364 2.446,365 3.073,366 0.86,367 7.242,368 2.34,369 3.573,370 3.149,371 5.428,372 3.165,373 2.245,374 2.89,375 0.86,376 6.902,377 2.049,378 3.441,379 2.794,380 5.16,381 3.123,382 2.204,383 2.611,384 0.86,385 6.153,386 2.013,387 3.395,388 2.628,389 4.862,390 2.922,391 1.944,392 2.564,393 0.324,394 5.527,395 1.883,396 3.131,397 2.293,398 4.472,399 2.69,400 1.746,401 2.054,403 4.488,404 1.641,405 2.928,406 2.249,407 4.451,408 2.458,409 1.477,410 2.012,412 4.298,413 1.438,414 2.902,415 1.939,416 3.74,417 1.879,418 0.949,419 1.447,421 2.081,422 0.878,423 2.06,424 1.907,425 3.504,426 1.761,427 0.891,428 0.999,430 1.866,431 0.764,432 1.544,433 1.064,434 2.888,435 1.221,436 0.358,437 0.396,439 0.513,440 0.306,441 1.486,442 0.989,443 2.808,444 0.981,445 0.052,446 0.061,448 0.107,449 0.048,450 1.229,451 0.916,452 2.71,453 0.814,454 -0.112,455 -0.156,457 -0.206,458 -0.102,459 1.085,460 0.621,461 2.607,462 0.712,463 -0.212,464 -0.279,466 -0.525,467 -0.195,468 14.433,469 0.466,470 1.093,471 0.035,472 41.75,473 1.347,474 22,475 0.71,476 19.75,477 0.637,478 26.874,479 0.867,480 35.367,481 0.643,482 37.119,483 1.197,484 8.118,485 0.262,486 6.375,487 0.206,488 0.298,489 0.058,490 0.346,496 0.754,497 1.387,498 0.835,499 1.322,500 0.694,501 1.025,502 0.957,503 0.997,504 0.892,505 0.984,506 0.582,507 0.774,508 1.448,509 1.166,510 1.02,511 0.999,512 1.249,513 0.955,514 0.764,515 1.125,516 0.805,517 1.103,518 0.718,519 1.04,520 1.087,521 1.049,522 1.147,523 1.033,524 1.047,525 1.081,526 0.879,527 1.26,528 1.157,529 1.273,530 0.987,531 1.217,532 1.446,533 0.831,534 1.126,535 0.795,536 1.657,537 1.02,538 0.603,539 0.775,540 0.603,541 0.716,542 0.594,543 0.718,544 9.5,545 0.281,546 3.778,547 3.25,548 2.529,549 1.84,550 0.689,551 0.524,552 0.316,553 0.358,554 11140,555 40251,556 1.864,557 43.6,559 13,562 3,563 2,564 6,567 1.738,568 1.668,569 3.461,570 0.972,572 1,577 97.987,578 1.782,579 3.925,580 4.826,581 4.949,582 4.985,583 5.095,584 2.845,585 4.607,586 4.929,587 3.686,588 1713.95,589 8.616,590 24780.8,592 1,595 317.975,596 1.739,597 4.82,598 0.297,599 0.009,600 0.082,601 0.065,602 0.048,603 0.039,604 0.016,605 0.017,606 0.009,607 0.012,608 0.595,609 0.33,610 0.88,611 1.271,612 161.387,613 -0.03,614 -0.118,615 0.161,616 -0.078,617 -0.125,618 0.002,619 0.046,620 0.072,621 0.125,622 0.118,623 0.173,624 0.224,625 -0.309,626 -0.084,627 -0.108,628 0.003,629 -0.227,630 -0.021,631 0.201,632 -0.066,633 0.092,634 -0.116,635 0.151,636 -0.072,637 -0.024,638 0.001,639 -0.193,640 -0.063,641 -0.073,642 -0.142,643 0.041,644 -0.255,645 -0.161,646 -0.247,647 0.02,648 -0.221,649 -0.328,650 0.116,651 -0.227,652 0.021,653 -0.373,654 -0.113,655 0.269,656 0.084,657 0.329,658 0.168,659 0.353,660 0.297,661 4.485,662 5.618,663 0.387,664 29.985,665 1.023,666 1.133,667 0.994,668 0.989,669 0.655,670 3.497,671 3.85,672 4.043,673 4.304,674 4.477,675 4.564,676 4.466,677 4.489,678 4.29,679 4.466,680 7.12,681 0.633,682 448.55,683 3.497,684 5.056,685 5.889,686 6.788,687 7.645,688 8.546,689 9.412,690 10.312,691 11.181,692 12.08,693 7.3,697 1,700 1,702 1,703 1,709 3,710 1,714 8,716 12,718 1,727 1,733 3,735 55,737 16,738 1,739 32,741 56,742 20,743 11,744 4,745 2,748 2,749 2,754 2,760 2,761 1,762 12,763 7,767 3,770 1,772 3,776 1,780 1,783 24,784 10,785 3,786 11,787 1,792 4,797 1,798 6,809 1,816 2,829 1,843 2,845 1,847 5,851 31,852 1,854 1,858 1,860 1,861 3,863 1,866 1,870 1,872 1,874 10.9,877 3,879 3,881 18.583,882 11.483,883 6.944,884 2.907,886 2.465,887 1.346,888 0.925,889 7.992,890 9.579,891 3.784,892 4.394,893 4.871,894 5.451,895 5.917,896 6.199,897 6.297,898 6.467,899 6.177,900 6.618,901 1,902 50,903 11.673,905 5.113,906 8.218,907 20.843,909 16.276,911 2.718,912 84.25,916 247.193,917 133.231,918 98.753,920 102.458,922 6.046,923 127.185,924 349.651,925 98.753,926 46.607,927 20.545,928 67.372,929 107.55,930 85.225,931 7.143,932 247.193,934 247.193,935 225.937,936 102.458,937 6.046,939 176.567,940 173.084,943 69.255,944 139.897,945 22.831,947 247.193,948 201.21,949 133.231,951 6.046,952 247.193,953 35.547,954 75.036,955 34.612,956 183.2,957 247.193,958 201.21,959 133.231,961 0.585,962 0.332,963 0.185,964 0.103,965 19,966 12,967 0.143,968 8,970 1,971 3.894,972 266.929,974 12,975 149.58,980 1,981 24.58,982 10.079,983 6.157,985 201.21,986 4.097,987 4.157,991 0.986,993 50.908,994 581.634,995 43,998 -3.568,1000 36.575,1004 -0.473,1007 56.283,1008 62.322,1009 0.308,1010 0.679,1011 0.835,1012 0.856,1013 0.862,1014 0.881,1015 5.056,1016 1.746,1017 5.943,1018 5.527,1019 4.533,1020 5.081,1021 3.64,1022 6.81,1023 4.393,1024 6.325,1025 1.477,1026 7.552,1027 4.488,1028 4.443,1029 5.293,1030 1.593,1031 7.997,1032 4.204,1033 7.69,1034 0.949,1035 9.267,1036 4.298,1037 6.232,1038 7.407,1039 5.353,1040 11.014,1041 5.941,1042 9.091,1043 0.891,1044 11.044,1045 2.081,1046 6.868,1047 8.366,1048 3.168,1049 12.968,1050 6.451,1051 10.521,1052 0.358,1053 12.86,1054 1.866,1055 8.241,1056 10.08,1057 7.338,1058 15.604,1059 7.771,1060 11.974,1061 0.052,1062 14.706,1063 0.513,1064 9.189,1065 11.355,1066 4.654,1067 17.873,1068 8.587,1069 13.446,1070 -0.112,1071 16.573,1072 0.107,1073 10.426,1074 12.939,1075 9.42,1076 20.397,1077 9.755,1078 3.397,1079 -0.212,1080 18.459,1081 -0.206,1082 11.51,1083 14.351,1084 6.091,1085 22.797,1086 10.711,1087 3.058,1088 12.298,1089 20.358,1090 -0.525,1091 12.707,1092 15.893,1093 11.545,1094 25.291,1095 11.821,1096 2.845,1097 10.099,1098 22.27,1099 4.722,1100 13.852,1101 17.367,1102 7.5,1103 27.746,1104 12.842,1105 2.446,1106 9.202,1107 24.192,1108 4.138,1109 15.041,1110 18.897,1111 13.691,1112 30.238,1113 13.931,1114 2.245,1115 7.242,1116 26.123,1117 3.845,1118 16.214,1119 20.402,1120 8.894,1121 32.717,1122 14.983,1123 2.204,1124 6.902,1125 28.06,1126 3.073,1127 17.406,1128 21.932,1129 15.846,1130 35.212,1131 16.066,1132 1.944,1133 6.153,1134 30.004,1135 2.89,1136 18.594,1137 23.453,1138 10.279,1139 37.704,1140 17.133,1141 11524,1142 22075,1143 19.304,1144 36.012,1145 48.626,1146 53.892,1147 50.866,1148 47.188,1149 47.222,1150 61.621,1151 19.751,1152 141.551,1153 43.93,1154 5.737,1155 7.192,1156 6.787,1157 5.344,1158 5.397,1159 7.722,1160 5.9,1161 19.808,1162 5.01,1163 23.427,1164 1.52,1165 1.684,1166 1.59,1167 1.475,1168 1.476,1169 1.926,1170 0.617,1171 4.423,1172 1.373,1173 4.095,1174 4.07,1175 4.736,1176 4.096,1177 7.716,1178 4.007,1179 3.934,1180 3.96,1181 3.923,1182 3.805,1183 7.429,1184 3.822,1185 3.737,1186 3.723,1187 3.801,1188 3.66,1189 6.999,1190 3.602,1191 3.589,1192 3.65,1193 3.449,1194 3.415,1195 6.82,1196 3.405,1197 3.449,1198 3.479,1199 3.389,1200 3.23,1201 5.121,1202 3.255,1203 3.312,1204 3.361,1205 3.167,1206 3.017,1207 4.875,1208 3.04,1209 3.167,1210 3.241,1211 3.099,1212 2.965,1213 4.779,1214 2.986,1215 3.095,1216 3.166,1217 2.889,1218 2.85,1219 4.599,1220 2.84,1221 0.152,1222 0.162,1223 0.227,1224 0.134,1225 0.106,1226 4.856,1227 0.148,1228 5.192,1229 0.092,1230 7.258,1231 0.384,1232 4.278,1233 0.094,1234 3.397,1235 4.722,1236 2.95,1237 12.298,1238 3.01,1239 1.979,1240 1.998,1241 1.989,1242 2.058,1243 1.258,1244 2.079,1245 1.849,1246 1.823,1247 1.924,1248 2.003,1249 1.063,1250 1.983,1251 1.62,1252 1.633,1253 1.844,1254 1.799,1255 0.974,1256 1.826,1257 1.578,1258 1.516,1259 1.63,1260 1.745,1261 0.909,1262 1.788,1263 1.337,1264 1.305,1265 1.586,1266 1.599,1267 0.635,1268 1.59,1269 1.23,1270 1.169,1271 1.573,1272 1.56,1273 0.584,1274 1.565,1275 1.126,1276 1.047,1277 1.455,1278 1.408,1279 0.533,1280 1.432,1281 1.045,1282 0.984,1283 1.417,1284 1.267,1285 0.469,1286 1.308,1287 4.174,1289 5.517,1291 7.043,1293 8.662,1295 10.333,1297 7.288,1301 5.89,1303 -0.161,1305 2.596,1306 15.927,1308 -0.255,1312 9.261,1313 1.93,1314 34.83,1315 97.987,1316 215.897,1317 265.445,1318 272.2,1319 274.2,1320 280.2,1321 118.062,1322 7.114,1323 153.63,1324 162.01,1325 12,1326 12.609,1327 4.087,1328 3.585,1329 73.005,1330 135,1331 109,1332 0.268,1333 223.769,1334 399.53,1335 537.757,1336 10596,1338 23.345,1339 0.753,1340 0.602,1341 23.595,1342 18.663,1343 14.493,1344 0.453,1345 0.344,1346 9.081,1347 12.908,1348 8.511,1349 7.168,1350 15.387,1351 11.009,1352 13.894,1353 0.302,1354 0.192,1355 15.262,1356 8.851,1357 9.923,1358 0.177,1359 0.092,1360 10.656,1361 5.179,1362 8.608,1363 0.118,1364 0.049,1365 9.307,1366 3.575,1367 6.369,1368 0.073,1369 0.027,1370 7.009,1371 2.391,1372 0.423,1373 101.984,1374 0.228,1375 28.993,1376 0.731,1377 156,1378 596.209,1379 211.133,1380 580.266,1381 759.48,1382 532,1383 180,1384 512.14,1385 241.014,1386 549.215,1387 785.6,1388 506,1389 5.078}
{0 CHEMBL379218,1 1.447,2 11.889,3 3.212,4 10.318,5 107.094,6 7.316,7 0.733,8 3.988,9 4.113,10 3.548,11 3.566,12 5.096,13 3.538,14 4.486,15 4.649,16 3.875,17 3.946,18 5.513,19 3.897,20 4.722,21 4.921,22 3.882,23 4.052,24 5.728,25 3.964,26 4.797,27 5.045,28 3.741,29 3.999,30 5.685,31 3.879,32 4.677,33 4.916,34 3.705,35 3.912,36 5.619,37 3.805,38 4.661,39 4.897,40 3.667,41 3.85,42 5.636,43 3.748,44 4.59,45 4.847,46 3.557,47 3.746,48 5.517,49 3.64,50 4.42,51 4.66,52 3.467,53 3.656,54 5.379,55 3.548,56 0.07,57 0.719,58 10.103,59 4.355,60 11.923,61 5.765,62 0.115,63 1.123,64 17.865,65 7.253,66 18.259,67 9.74,68 0.292,69 1.358,70 24.012,71 9.183,72 34.729,73 12.615,74 0.244,75 1.398,76 27.58,77 10.137,78 34.748,79 14.244,80 0.171,81 1.263,82 23.926,83 8.953,84 31.875,85 12.626,86 0.236,87 1.23,88 23.868,89 8.561,90 36.542,91 11.871,92 0.274,93 1.148,94 22.792,95 7.822,96 32.595,97 11.064,98 0.24,99 0.97,100 18.622,101 6.861,102 27.527,103 9.772,104 5,105 41,106 0.242,107 0.6,108 0.775,109 0.866,110 0.875,111 0.875,112 3.339,113 0.901,114 -3.58,115 -3.55,116 -3.39,119 44.9,120 1,121 1,125 1,127 1,142 9,143 4,144 1,145 2,146 1,152 1,163 1,164 1,165 1,168 1,172 13,175 4,180 3,183 16,185 1,187 1,188 7,190 1,191 1,193 3,196 12,198 1,200 5,205 4,208 5,210 2,213 7,218 4,221 3,223 3,225 6,227 1,228 1,230 3,233 3,235 2,237 1,238 3,241 1,243 1,246 4,248 1,249 1,250 3,253 1,255 2,258 7,260 2,264 2,269 2,272 9,274 2,276 1140,277 18.516,278 18.516,279 18.516,280 18.516,281 18.516,282 15.922,283 11.017,284 11.088,285 18.793,286 14.842,287 14.842,288 14.842,289 14.842,290 14.842,291 11.035,292 9.41,293 5.322,294 15.279,295 4.168,296 2.027,297 0.98,298 0.439,299 0.383,300 0.383,301 4.04,304 1,305 1,306 1,307 708,308 3.082,311 66.035,312 258.152,315 112.937,319 1.901,320 16.253,322 1,323 1,324 1,325 1,326 0.6,327 0.5,328 1,329 1,330 0.87,331 57,332 321,333 4.558,334 3.148,335 6.522,336 4.089,337 3.103,338 4.51,339 0.86,340 10.231,341 3.059,342 4.184,343 2.981,344 6.117,345 3.779,346 2.802,347 3.816,349 8.979,350 2.739,351 3.927,352 2.815,353 5.492,354 3.615,355 2.626,356 3.455,358 7.41,359 2.599,360 3.686,361 2.599,362 5.309,363 3.3,364 2.353,365 3.098,367 6.836,368 2.216,369 3.314,370 2.205,371 4.952,372 3.058,373 2.084,374 2.648,376 5.447,377 2.026,378 3.253,379 2.012,380 4.792,381 2.848,382 1.878,383 2.357,385 5.404,386 1.818,387 2.968,388 1.623,389 4.355,390 2.481,391 1.521,392 2.167,394 4.156,395 1.458,396 2.815,397 1.492,398 4.01,399 2.397,400 1.405,401 1.922,403 3.18,404 1.392,405 2.703,406 1.275,407 3.586,408 2.193,409 1.233,410 1.795,412 3.019,413 1.181,414 2.571,415 1.111,416 3.486,417 2.041,418 1.084,419 1.605,421 2.546,422 1.034,423 2.5,424 1,425 3.247,426 2,427 1,428 1.5,430 2.136,431 1,432 2.111,433 0.986,434 3.223,435 1.642,436 0.654,437 0.939,439 1.552,440 0.645,441 1.715,442 0.714,443 3.098,444 1.467,445 0.574,446 0.638,448 1.347,449 0.507,450 1.053,451 0.08,452 2.629,453 0.786,454 -0.187,455 -0.217,457 -0.455,458 -0.182,459 1.01,460 -0.208,461 2.514,462 0.631,463 -0.353,464 -0.461,466 -0.856,467 -0.345,468 12.933,469 0.479,470 0.571,471 0.021,472 37.25,473 1.38,474 20.5,475 0.759,476 16.75,477 0.62,478 19.934,479 0.738,480 27.867,481 0.569,482 25.777,483 0.955,484 7.475,485 0.277,486 5.712,487 0.212,488 0.07,490 0.309,496 0.899,497 1.021,498 0.817,499 0.944,500 1.072,501 0.88,502 1.154,503 1.117,504 0.91,505 1.003,506 0.977,507 0.945,508 1.128,509 1.059,510 1.091,511 1.082,512 1.077,513 1.087,514 1.183,515 1,516 1.022,517 1.002,518 1.011,519 1,520 1.022,521 1.081,522 0.974,523 1.064,524 1.01,525 1.021,526 1.371,527 1.093,528 1.056,529 1.072,530 1.268,531 1.044,532 1.275,533 0.887,534 0.986,535 0.898,536 1.104,537 0.909,538 0.839,539 0.978,540 0.937,541 0.981,542 0.847,543 0.974,544 5,545 0.129,546 2.667,547 1.417,548 1.142,549 0.663,550 0.415,551 0.333,552 0.152,553 0.143,554 10189,555 24084,556 2.142,557 44.9,559 12,561 2,562 3,563 3,564 2,567 1.696,568 2.051,569 3.544,570 0.872,571 1,572 1,577 70.906,578 1.447,579 3.587,580 4.634,581 5.176,582 5.232,583 5.232,584 2.967,585 4.459,586 4.728,587 3.729,588 1308.79,589 8.18,590 17472.8,592 1,594 1,595 275.121,596 1.218,597 4.706,598 0.167,599 0.007,600 0.065,601 0.036,602 0.035,603 0.021,604 0.014,605 0.012,606 0.006,607 0.007,608 0.369,609 0.33,610 1,611 0.454,612 136.221,613 0.02,614 0.112,615 0.046,616 0.055,617 -0.126,618 0.055,619 -0.092,620 -0.059,621 0.003,622 -0.006,623 -0.057,624 0.007,625 0.027,626 -0.044,627 -0.137,628 -0.1,629 -0.024,630 -0.131,631 -0.093,632 -0.055,633 -0.024,634 -0.018,635 -0.059,636 -0.014,637 -0.024,638 -0.116,639 0.008,640 -0.08,641 0.043,642 -0.038,643 -0.059,644 -0.128,645 -0.048,646 -0.104,647 -0.04,648 -0.082,649 -0.014,650 0.086,651 0.039,652 0.055,653 -0.017,654 0.053,655 0.203,656 -0.01,657 0.052,658 -0.001,659 0.156,660 0.007,661 1.402,662 2.392,663 0.778,664 26.617,665 0.994,666 1.121,667 2.351,668 5.529,669 0.68,670 3.434,671 3.738,672 3.989,673 4.234,674 4.431,675 4.431,676 4.575,677 4.691,678 4.7,679 4.754,680 7.121,681 0.644,682 358.48,683 3.434,684 4.963,685 5.802,686 6.666,687 7.52,688 8.388,689 9.25,690 10.121,691 10.987,692 11.861,693 8.2,694 1,701 1,703 2,708 2,709 11,710 2,711 1,714 5,716 22,733 1,735 49,737 22,738 2,739 30,741 52,742 22,743 18,744 4,745 8,748 4,749 5,754 1,760 2,762 18,763 4,780 1,783 22,784 4,785 3,786 5,792 4,797 0.75,798 1,807 1,809 1,815 1,816 3,819 1,836 1,843 3,847 1,851 27,852 1,858 2,861 1,863 1,874 2,879 1,881 13.167,882 8.9,883 5.917,884 2.817,886 4.037,887 1.536,888 1.013,889 5.079,890 11.562,891 3.738,892 4.36,893 4.967,894 5.569,895 6.099,896 6.345,897 6.814,898 7.251,899 7.491,900 7.833,901 0.875,902 39,903 9.933,905 4.168,906 7.574,907 19.228,909 15.774,911 2.074,912 56,915 1,916 223.651,917 141.607,918 83.009,920 11,923 141.607,924 234.651,925 83.009,926 8.825,927 40.024,928 85.286,929 56.991,930 65.275,931 2.757,932 200.109,934 223.651,935 224.616,936 11,939 200.109,940 34.542,943 85.751,944 105.416,945 33.449,947 223.651,948 94.009,949 141.607,952 223.651,953 29.401,954 112.206,955 16.663,956 77.346,957 223.651,958 94.009,959 141.607,961 0.577,962 0.331,963 0.178,964 0.096,965 20,966 8,967 0.115,968 6,969 1,970 1.095,971 4.061,972 224.352,973 0.095,974 21,975 124.382,981 17.564,982 7.808,983 4.12,984 2.076,985 77.346,986 21.95,987 8.598,988 3.015,991 5.077,993 49.56,994 459.267,995 41,1007 48.687,1008 54.939,1009 0.258,1010 0.639,1011 0.825,1012 0.922,1013 0.932,1014 0.932,1015 4.945,1016 1.405,1017 5.765,1018 4.156,1019 4.419,1020 5.047,1021 0.908,1022 6.532,1023 4.366,1024 6.147,1025 1.233,1026 7.292,1027 3.18,1028 3.892,1029 4.745,1031 7.322,1032 3.829,1033 7.44,1034 1.084,1035 8.917,1036 3.019,1037 5.969,1038 7.273,1039 0.739,1040 10.409,1041 5.875,1042 8.772,1043 1,1044 10.601,1045 2.546,1046 6.275,1047 7.851,1049 12.058,1050 6.174,1051 10.136,1052 0.654,1053 12.324,1054 2.136,1055 7.793,1056 9.808,1057 0.593,1058 14.635,1059 7.669,1060 11.526,1061 0.574,1062 14.074,1063 1.552,1064 8.5,1065 10.831,1067 16.652,1068 8.369,1069 12.935,1070 -0.187,1071 15.846,1072 1.347,1073 9.777,1074 12.53,1075 0.469,1076 19.049,1077 9.628,1078 3.103,1079 -0.353,1080 17.633,1081 -0.455,1082 10.685,1083 13.787,1085 21.228,1086 10.527,1087 2.802,1088 10.231,1089 19.432,1090 -0.856,1091 11.857,1092 15.367,1093 0.366,1094 23.563,1095 11.684,1096 2.626,1097 8.979,1098 21.243,1099 4.51,1100 12.866,1101 16.744,1103 25.813,1104 12.682,1105 2.353,1106 7.41,1107 23.061,1108 3.816,1109 13.995,1110 18.273,1111 0.283,1112 28.128,1113 13.797,1114 2.084,1115 6.836,1116 24.887,1117 3.455,1118 15.054,1119 19.71,1121 30.411,1122 14.845,1123 1.878,1124 5.447,1125 26.718,1126 3.098,1127 16.168,1128 21.219,1129 0.217,1130 32.721,1131 15.946,1132 1.521,1133 5.404,1134 28.555,1135 2.648,1136 17.254,1137 22.687,1139 35.021,1140 17.019,1141 9503,1142 14739,1143 20.572,1144 33.33,1145 45.076,1146 44.903,1147 45.31,1148 44.601,1149 44.634,1150 60.899,1151 1.72,1152 124.484,1153 43.349,1154 5.452,1155 5.148,1156 6.324,1157 5.149,1158 5.103,1159 7.51,1160 1.72,1161 16.757,1162 5.059,1163 9.54,1164 1.503,1165 1.497,1166 1.51,1167 1.487,1168 1.488,1169 2.03,1170 0.057,1171 4.149,1172 1.445,1173 4.123,1174 4.16,1175 4.088,1176 4.034,1177 5.096,1178 4.042,1179 3.932,1180 3.967,1181 3.856,1182 3.866,1183 5.023,1184 3.858,1185 3.841,1186 3.877,1187 3.794,1188 3.716,1189 4.909,1190 3.731,1191 3.574,1192 3.639,1193 3.448,1194 3.407,1195 4.735,1196 3.407,1197 3.401,1198 3.464,1199 3.299,1200 3.254,1201 4.399,1202 3.255,1203 3.061,1204 3.131,1205 2.932,1206 2.901,1207 4.296,1208 2.902,1209 2.983,1210 3.062,1211 2.838,1212 2.802,1213 3.905,1214 2.798,1215 2.854,1216 2.939,1217 2.687,1218 2.735,1219 3.753,1220 2.715,1221 0.152,1222 0.105,1223 0.217,1224 0.136,1225 0.103,1226 4.558,1227 0.15,1228 3.148,1229 0.029,1230 6.522,1231 0.341,1232 4.089,1233 0.102,1234 3.103,1235 4.51,1236 0.86,1237 10.231,1238 3.059,1239 1.988,1240 1.969,1241 2.067,1242 2.062,1243 1.258,1244 2.063,1245 1.924,1246 1.894,1247 2.055,1248 2.013,1249 1.213,1250 2.03,1251 1.735,1252 1.707,1253 1.849,1254 1.87,1255 0.967,1256 1.866,1257 1.544,1258 1.484,1259 1.765,1260 1.772,1261 0.899,1262 1.761,1263 1.49,1264 1.415,1265 1.697,1266 1.736,1267 0.733,1268 1.733,1269 1.05,1270 1.006,1271 1.306,1272 1.289,1273 0.496,1274 1.293,1275 0.965,1276 0.894,1277 1.231,1278 1.222,1279 0.249,1280 1.243,1281 0.886,1282 0.821,1283 1.181,1284 1.134,1285 0.218,1286 1.143,1287 4.111,1289 5.416,1290 2.398,1291 6.911,1292 4.727,1293 8.488,1294 6.804,1295 10.11,1297 2.019,1301 6.214,1303 1.226,1306 5.892,1308 -0.069,1314 31.542,1315 70.906,1316 175.783,1317 227.082,1318 253.611,1319 256.366,1320 256.366,1321 36.184,1322 7.525,1323 76.82,1324 76.82,1325 23,1326 12.403,1327 4.524,1328 3.585,1329 40.45,1330 116,1331 112,1332 0.167,1333 194.128,1334 322.51,1335 465.432,1336 20952,1338 18.64,1339 0.69,1340 0.564,1341 18.64,1342 15.222,1343 13.187,1344 0.44,1345 0.3,1346 8.921,1347 12.815,1348 8.673,1349 7.231,1350 13.187,1351 9.013,1352 11.767,1353 0.287,1354 0.165,1355 11.767,1356 6.751,1357 9.831,1358 0.185,1359 0.087,1360 9.831,1361 4.596,1362 8.13,1363 0.12,1364 0.046,1365 8.13,1366 3.152,1367 6.568,1368 0.079,1369 0.025,1370 6.568,1371 2.103,1372 0.269,1373 81.725,1374 0.22,1375 26.422,1376 0.44,1377 142,1378 362.671,1379 151.399,1380 360.498,1381 504.89,1382 340,1383 165,1384 381.652,1385 175.176,1386 391.422,1387 565.42,1388 368,1389 5.268}
{0 CHEMBL379835,1 1.722,2 8.087,3 3.896,4 15.176,5 87.838,6 9.308,7 0.654,8 3.711,9 3.802,10 3.468,11 3.327,12 4.949,13 3.325,14 4.183,15 4.302,16 3.895,17 3.725,18 5.394,19 3.722,20 4.429,21 4.572,22 4.03,23 3.827,24 5.698,25 3.83,26 4.498,27 4.646,28 4.042,29 3.794,30 5.891,31 3.811,32 4.442,33 4.59,34 3.947,35 3.744,36 5.888,37 3.738,38 4.376,39 4.535,40 3.736,41 3.697,42 5.668,43 3.634,44 4.292,45 4.513,46 3.451,47 3.526,48 5.422,49 3.392,50 3.989,51 4.235,52 2.807,53 3.179,54 4.983,55 2.982,56 0.136,57 0.506,58 4.383,59 2.756,60 7.639,61 2.996,62 0.152,63 0.817,64 8.323,65 4.609,66 12.308,67 5.171,68 0.329,69 1.025,70 14.773,71 5.844,72 24.177,73 6.266,74 0.511,75 1.073,76 15.47,77 5.959,78 40.249,79 5.987,80 0.586,81 0.967,82 15.54,83 5.944,84 75.054,85 5.639,86 0.434,87 0.884,88 14.269,89 6.159,90 50.138,91 6.223,92 0.371,93 0.759,94 18.47,95 6.781,96 40.557,97 8.387,98 0.263,99 0.541,100 16.778,101 5.566,102 33.835,103 7.134,104 17,105 39,106 0.309,107 0.63,108 0.725,109 0.827,110 0.855,111 0.855,112 3.191,113 0.858,114 -4.51,115 -4.43,116 -4.18,119 48.6,120 1,142 8,143 2,144 3,146 1,153 1,157 1,166 1,168 1,172 6,174 1,175 10,183 10,187 1,188 8,191 1,193 3,196 7,199 3,200 11,203 1,205 2,208 4,213 10,216 1,218 3,221 7,225 4,230 3,233 8,238 4,243 1,246 11,250 1,258 6,272 4,276 619,277 15.483,278 15.483,279 15.483,280 15.483,281 15.483,282 13.364,283 18.095,284 8.866,285 15.777,286 12.807,287 12.807,288 12.807,289 12.807,290 12.807,291 9.52,292 22.268,293 4.199,294 13.321,295 3.407,296 1.622,297 1.093,298 0.522,299 0.364,300 0.364,301 3.884,302 1,304 1,305 1,306 1,307 410,308 2.236,311 35.412,312 142.24,315 62.546,316 73.232,319 1.323,320 27.559,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 49.833,332 186,333 4.767,334 4.221,335 7.219,336 4.419,337 3.447,338 4.477,339 1.812,340 12.72,341 3.358,342 4.279,343 3.587,344 6.473,345 3.868,346 2.899,347 3.935,349 10.024,350 2.803,351 3.926,352 3.122,353 6.144,354 3.54,355 2.559,356 3.46,358 8.682,359 2.502,360 3.611,361 2.906,362 5.73,363 3.301,364 2.35,365 2.874,367 7.434,368 2.247,369 3.51,370 2.527,371 4.982,372 3.034,373 2.111,374 2.847,376 5.814,377 1.868,378 3.077,379 2.238,380 4.919,381 2.653,382 1.679,383 2.275,385 4.987,386 1.63,387 2.995,388 1.883,389 4.512,390 2.575,391 1.606,392 2.164,394 4.171,395 1.518,396 2.591,397 1.56,398 3.849,399 2.107,400 1.109,401 1.618,403 2.822,404 1.104,405 2.5,406 1.297,407 3.687,408 2,409 1,410 1.5,412 2.341,413 1,414 2.363,415 1.017,416 3.484,417 1.911,418 0.928,419 1.278,421 2.136,422 0.903,423 1.973,424 1,425 3.247,426 1.517,427 0.483,428 0.685,430 1.299,431 0.489,432 1.1,433 0.607,434 2.897,435 0.709,436 -0.176,437 -0.211,439 -0.432,440 -0.129,441 0.782,442 0.22,443 2.449,444 0.434,445 -0.547,446 -0.635,448 -1.357,449 -0.499,450 0.72,451 -0.314,452 2.365,453 0.374,454 -0.596,455 -0.762,457 -1.417,458 -0.576,459 0.667,460 -0.444,461 2.2,462 0.21,463 -0.787,464 -1.104,466 -2.207,467 -0.757,468 11.081,469 0.482,470 0.683,471 0.03,472 33,473 1.435,474 18,475 0.783,476 15,477 0.652,478 16.597,479 0.722,480 23.119,481 0.661,482 23.902,483 1.039,484 6.629,485 0.288,486 4.446,487 0.193,488 0.17,490 0.433,496 0.599,497 0.988,498 0.536,499 0.755,500 0.684,501 0.738,502 0.68,503 1.234,504 0.563,505 0.889,506 0.584,507 0.796,508 1.023,509 1.218,510 0.891,511 0.992,512 0.908,513 0.884,514 1.252,515 1.12,516 0.843,517 0.918,518 1.266,519 0.876,520 1.319,521 0.951,522 0.878,523 0.892,524 1.357,525 0.919,526 1.258,527 1.005,528 1.021,529 1.068,530 1.291,531 1.179,532 0.801,533 0.854,534 1.031,535 1.114,536 0.948,537 1.178,538 0.829,539 0.827,540 1.376,541 1.217,542 0.959,543 1.293,544 4,545 0.025,546 2.889,547 2.444,548 2.446,549 1.139,550 0.545,551 0.246,552 0.106,553 0.062,554 4947,555 15794,556 2.115,557 34.3,559 8,562 1,563 3,567 1.665,568 1.944,569 2.976,570 -0.284,572 1,574 1,577 60.264,578 1.722,579 3.508,580 4.036,581 4.607,582 4.765,583 4.765,584 2.512,585 4.176,586 4.494,587 3.07,588 776.631,589 7.782,590 8225.42,592 1,593 1,594 1,595 179.525,596 1.491,597 4.44,598 0.154,599 0.008,600 0.074,601 0.057,602 0.058,603 0.032,604 0.019,605 0.013,606 0.011,607 0.01,608 0.436,609 0.33,610 1,611 0.636,612 103.511,613 0.089,614 0.084,615 0.014,616 0.073,617 -0.096,618 0.036,620 -0.173,621 0.085,622 -0.035,623 -0.008,624 0.032,625 -0.067,626 -0.14,627 -0.048,628 -0.114,629 -0.046,630 -0.038,631 -0.025,632 -0.03,633 -0.046,634 -0.049,635 0.002,636 -0.047,637 -0.051,638 0.078,639 -0.048,640 0.017,641 0.066,642 -0.051,643 -0.177,644 -0.047,645 -0.171,646 -0.117,647 -0.144,648 -0.243,649 0.062,651 0.053,652 -0.041,653 -0.017,654 -0.036,655 -0.031,656 -0.037,657 -0.122,658 -0.074,659 -0.096,660 -0.056,661 1.859,662 5.821,663 0.826,664 15.648,665 1.02,666 1.112,667 3.278,668 10.743,669 0.731,670 3.296,671 3.689,672 4.06,673 4.431,674 4.736,675 4.875,676 5.037,677 5.182,678 5.278,679 5.204,680 4.716,681 0.713,682 325.77,683 3.296,684 4.875,685 5.778,686 6.708,687 7.635,688 8.574,689 9.51,690 10.453,691 11.395,692 12.341,693 8.6,701 2,703 1,709 8,710 1,714 7,715 1,716 17,721 1,734 1,735 35,737 18,738 2,739 26,741 38,742 17,743 15,744 4,745 8,746 1,748 4,749 7,750 1,754 1,762 16,763 1,767 1,772 1,776 1,780 1,783 12,784 4,785 1,786 6,787 1,792 3,797 0.5,798 2,807 1,815 1,816 3,819 1,820 1,841 1,843 2,847 1,848 1,851 23,857 1,864 1,873 1,874 5.7,875 1,877 1,881 11.833,882 6.776,883 4.917,884 2.025,886 3.291,887 1.437,888 1.01,889 3.181,890 10.814,891 3.597,892 4.266,893 4.937,894 5.587,895 6.141,896 6.486,897 6.94,898 7.368,899 7.775,900 8.037,901 0.833,902 43,903 8.503,905 3.81,906 7.911,907 15.832,909 13.344,911 2.411,912 55.444,916 129.482,917 110.239,918 18.44,919 39.149,920 67.951,923 110.239,924 236.581,925 18.44,926 8.825,928 118.616,929 46.941,930 22.246,932 129.482,933 39.149,934 129.482,935 128.678,936 67.951,937 39.149,939 129.482,940 25.145,941 42.806,943 15.686,944 96.329,945 55.812,947 129.482,948 86.39,949 149.387,952 129.482,953 25.603,954 86.412,956 123.762,957 129.482,958 86.39,959 149.387,961 0.597,962 0.369,963 0.217,964 0.128,965 22,966 10,967 0.026,968 1,969 2,970 1.211,971 3.348,972 205.648,973 0.211,974 19,975 100.042,981 14.304,982 5.115,983 2.063,985 84.614,986 14.187,987 4.43,991 3.244,992 1.57,993 42.806,994 365.26,995 35.5,1000 12.821,1004 -0.192,1007 35.702,1008 38.934,1009 0.336,1010 0.684,1011 0.787,1012 0.898,1013 0.929,1014 0.929,1015 4.862,1016 1.109,1017 5.802,1018 4.171,1019 4.369,1020 4.952,1021 1.863,1022 6.72,1023 4.299,1024 6.108,1025 1,1026 7.427,1027 2.822,1028 4.111,1029 4.844,1030 1.404,1031 7.818,1032 3.977,1033 7.448,1034 0.928,1035 9.156,1036 2.341,1037 6.057,1038 7.21,1039 2.76,1040 11.018,1041 5.927,1042 8.827,1043 0.483,1044 10.944,1045 2.136,1046 6.621,1047 7.927,1048 2.703,1049 12.956,1050 6.449,1051 10.239,1052 -0.176,1053 12.772,1054 1.299,1055 8.076,1056 9.771,1057 3.793,1058 15.699,1059 7.896,1060 11.677,1061 -0.547,1062 14.627,1063 -0.432,1064 9.009,1065 10.877,1066 3.99,1067 17.983,1068 8.797,1069 13.136,1070 -0.596,1071 16.501,1072 -1.357,1073 10.293,1074 12.507,1075 4.893,1076 20.58,1077 10.066,1078 3.447,1079 -0.787,1080 18.392,1081 -1.417,1082 11.39,1083 13.805,1084 5.245,1085 23.01,1086 11.135,1087 2.899,1088 12.72,1089 20.294,1090 -2.207,1091 12.622,1092 15.345,1093 6.029,1094 25.561,1095 12.346,1096 2.559,1097 10.024,1098 22.207,1099 4.477,1100 13.79,1101 16.737,1102 6.476,1103 28.052,1104 13.488,1105 2.35,1106 8.682,1107 24.129,1108 3.935,1109 15.01,1110 18.241,1111 7.186,1112 30.591,1113 14.685,1114 2.111,1115 7.434,1116 26.057,1117 3.46,1118 16.21,1119 19.68,1120 7.691,1121 33.11,1122 15.86,1123 1.679,1124 5.814,1125 27.991,1126 2.874,1127 17.431,1128 21.17,1129 8.356,1130 35.647,1131 17.057,1132 1.606,1133 4.987,1134 29.931,1135 2.847,1136 18.647,1137 22.633,1138 8.896,1139 38.178,1140 18.247,1141 4744,1142 8603,1143 17.224,1144 25.591,1145 41.144,1146 43.586,1147 42.492,1148 40.608,1149 40.342,1150 54.226,1151 3.625,1152 124.862,1153 38.844,1154 5.64,1155 6.221,1156 7.021,1157 5.47,1158 5.447,1159 7.477,1160 3.225,1161 20.72,1162 5.358,1163 11.257,1164 1.582,1165 1.676,1166 1.634,1167 1.562,1168 1.552,1169 2.086,1170 0.139,1171 4.802,1172 1.494,1173 4.109,1174 4.143,1175 4.116,1176 3.989,1177 7.427,1178 4.006,1179 3.883,1180 3.909,1181 3.92,1182 3.819,1183 6.473,1184 3.815,1185 3.702,1186 3.739,1187 3.707,1188 3.607,1189 4.957,1190 3.612,1191 3.178,1192 3.248,1193 3.357,1194 2.993,1195 4.885,1196 2.998,1197 3.139,1198 3.151,1199 3.097,1200 2.919,1201 4.631,1202 2.944,1203 2.965,1204 3.024,1205 2.89,1206 2.793,1207 4.241,1208 2.787,1209 2.854,1210 2.925,1211 2.73,1212 2.735,1213 3.789,1214 2.715,1215 2.676,1216 2.729,1217 2.687,1218 2.534,1219 3.674,1220 2.515,1221 0.183,1222 0.162,1223 0.278,1224 0.17,1225 0.133,1226 4.767,1227 0.172,1228 4.221,1229 0.07,1230 7.219,1231 0.489,1232 4.419,1233 0.129,1234 3.447,1235 4.477,1236 1.812,1237 12.72,1238 3.358,1239 1.953,1240 1.936,1241 2.023,1242 2.059,1243 1.16,1244 2.046,1245 1.885,1246 1.856,1247 1.98,1248 1.98,1249 1.069,1250 1.985,1251 1.557,1252 1.528,1253 1.734,1254 1.693,1255 0.846,1256 1.708,1257 1.323,1258 1.258,1259 1.43,1260 1.572,1261 0.545,1262 1.537,1263 1.012,1264 0.969,1265 1.206,1266 1.254,1267 0.26,1268 1.239,1269 0.889,1270 0.844,1271 1.181,1272 1.162,1273 0.218,1274 1.124,1275 0.886,1276 0.821,1277 1.087,1278 1.062,1279 0.169,1280 1.107,1281 0.606,1282 0.566,1283 0.843,1284 0.907,1286 0.907,1287 3.97,1289 5.342,1290 2.398,1291 6.927,1292 4.844,1293 8.613,1294 7.066,1295 10.359,1297 1.75,1298 5.984,1302 10.655,1309 0.995,1314 24.955,1315 60.264,1316 122.77,1317 141.26,1318 161.26,1319 166.77,1320 166.77,1321 40.292,1322 7.523,1323 60.05,1324 60.05,1325 23,1326 12.833,1327 4.248,1328 3.392,1329 31.563,1330 65,1331 67,1332 0.252,1333 154.628,1334 262.55,1335 369.053,1336 16758,1337 2.9,1338 16.137,1339 0.702,1340 0.563,1341 16.637,1342 12.95,1343 11.075,1344 0.426,1345 0.286,1346 7.005,1347 10.395,1348 6.806,1349 5.616,1350 11.364,1351 7.438,1352 10.394,1353 0.267,1354 0.148,1355 10.802,1356 5.77,1357 9.277,1358 0.163,1359 0.072,1360 9.54,1361 4.131,1362 8.363,1363 0.101,1364 0.036,1365 8.583,1366 3.021,1367 7.22,1368 0.064,1369 0.019,1370 7.511,1371 2.163,1372 0.371,1373 72.35,1374 0.241,1375 21.684,1376 0.77,1377 130,1378 395.024,1379 156.998,1380 416.154,1381 567.71,1382 386,1383 161,1384 416.002,1385 185.095,1386 426.987,1387 633.61,1388 403,1389 5.1}
{0 CHEMBL379975,1 1.662,2 8.231,3 4.065,4 16.526,5 97.369,6 9.805,7 0.7,8 3.781,9 3.854,10 3.572,11 3.459,12 5.045,13 3.465,14 4.258,15 4.336,16 4.027,17 3.904,18 5.57,19 3.896,20 4.519,21 4.631,22 4.138,23 4.036,24 5.803,25 4.014,26 4.552,27 4.678,28 4.158,29 4.029,30 5.912,31 4.005,32 4.542,33 4.665,34 4.16,35 3.975,36 5.913,37 3.964,38 4.552,39 4.684,40 4.152,41 3.865,42 6.025,43 3.865,44 4.395,45 4.546,46 3.81,47 3.598,48 5.937,49 3.575,50 4.018,51 4.198,52 3.238,53 3.231,54 5.445,55 3.152,56 0.12,57 0.467,58 3.641,59 2.701,60 14.194,61 2.532,62 0.208,63 0.747,64 5.812,65 4.595,66 18.934,67 4.836,68 0.346,69 0.961,70 12.761,71 6.78,72 51.579,73 6.864,74 0.412,75 1.009,76 15.363,77 7.208,78 68.039,79 7.745,80 0.414,81 1.018,82 14.912,83 6.994,84 48.256,85 7.386,86 0.594,87 1.034,88 15.637,89 6.894,90 70.476,91 6.34,92 0.667,93 0.863,94 17.755,95 6.559,96 97.681,97 6.133,98 0.435,99 0.597,100 11.113,101 4.721,102 71.554,103 4.697,104 17,105 46,106 0.29,107 0.597,108 0.757,109 0.889,110 0.907,111 0.907,112 3.307,113 0.834,114 -4.49,115 -4.41,116 -4.16,119 54.1,142 8,143 6,144 2,152 2,158 2,172 12,175 2,178 2,180 8,183 17,188 4,193 8,196 18,199 1,200 5,205 6,208 16,213 5,216 1,217 2,218 4,221 12,225 6,228 1,230 9,233 9,238 6,241 1,242 1,243 4,246 7,250 2,253 1,255 1,258 8,269 1,272 5,276 798,277 17.585,278 17.585,279 17.585,280 17.585,281 17.585,282 14.953,283 9.311,284 9.969,285 17.794,286 14.821,287 14.821,288 14.821,289 14.821,290 14.821,291 10.653,292 6.655,293 4.749,294 15.206,295 3.547,296 1.784,297 0.865,298 0.108,301 4.016,302 1,304 1,305 1,306 1,307 480,308 2.449,311 65.486,312 145.35,315 185.377,318 80.432,319 1.343,320 35.765,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 56.333,332 214,333 4.888,334 3.849,335 7.254,336 4.464,337 3.469,338 4.947,339 1.2,340 12.93,341 3.451,342 4.458,343 3.303,344 6.697,345 4.028,346 3.046,347 4.184,348 0.8,349 10.832,350 2.991,351 4.173,352 3.236,353 6.292,354 3.78,355 2.809,356 3.751,358 9.356,359 2.715,360 3.798,361 3.12,362 5.683,363 3.339,364 2.367,365 3.323,367 7.319,368 2.298,369 3.587,370 2.639,371 5.481,372 3.159,373 2.175,374 2.974,376 6.802,377 2.118,378 3.411,379 2.391,380 4.977,381 2.952,382 1.983,383 2.765,385 5.767,386 1.904,387 3.153,388 2.028,389 4.847,390 2.661,391 1.68,392 2.392,394 5.105,395 1.652,396 3.101,397 1.877,398 4.832,399 2.647,400 1.638,401 2.246,403 4.753,404 1.622,405 2.863,406 1.636,407 4.448,408 2.357,409 1.414,410 2.017,412 3.862,413 1.32,414 2.765,415 1.443,416 3.929,417 2.302,418 1.317,419 1.839,421 3.051,422 1.233,423 2.504,424 1.088,425 3.603,426 1.993,427 0.985,428 1.478,430 2.641,431 0.991,432 2.013,433 0.809,434 3.469,435 1.514,436 0.552,437 0.79,439 1.481,440 0.528,441 1.268,442 0.626,443 2.889,444 0.842,445 -0.073,446 -0.093,448 -0.178,449 -0.057,450 1.125,451 0.38,452 2.83,453 0.64,454 -0.317,455 -0.414,457 -0.79,458 -0.266,459 1,460 0.132,461 2.408,462 0.537,463 -0.434,464 -0.611,466 -1.25,467 -0.423,468 12.514,469 0.481,470 0.802,471 0.031,472 38.5,473 1.481,474 21.5,475 0.827,476 17,477 0.654,478 18.337,479 0.705,480 25.286,481 0.683,482 29.615,483 1.139,484 7.649,485 0.294,486 4.892,487 0.188,488 0.137,490 0.479,496 0.735,497 0.852,498 0.536,499 0.63,500 0.648,501 0.61,502 0.5,503 1.009,504 0.571,505 0.84,506 0.511,507 0.817,508 0.954,509 0.994,510 0.882,511 0.923,512 0.943,513 0.92,514 0.798,515 1.079,516 0.94,517 1,518 0.704,519 0.953,520 0.906,521 1.128,522 0.96,523 1.075,524 0.95,525 0.996,526 1.201,527 1.121,528 0.971,529 1.081,530 1.275,531 1.033,532 1.424,533 0.962,534 1.29,535 1.081,536 1.497,537 1.103,538 1.331,539 0.808,540 1.122,541 0.905,542 1.421,543 1.13,544 5,545 0.025,546 3.111,547 2.861,548 1.856,549 1.588,550 0.88,551 0.493,552 0.137,553 0.105,554 7005,555 23195,556 2.168,557 29.7,559 8,562 3,567 1.701,568 2,569 3.007,570 0.936,572 1,577 61.503,578 1.662,579 3.426,580 4.345,581 5.101,582 5.209,583 5.209,584 2.519,585 4.624,586 4.672,587 3.126,588 1016.1,589 8.15,590 11727.3,592 1,594 1,595 192.75,596 1.46,597 4.623,598 0.167,599 0.005,600 0.068,601 0.058,602 0.038,603 0.033,604 0.021,605 0.017,606 0.009,607 0.011,608 0.426,609 0.33,610 0.88,611 0.596,612 121.865,613 -0.117,614 0.14,615 -0.022,616 0.149,617 -0.106,618 0.115,619 0.1,620 -0.051,621 0.007,622 -0.036,623 0.046,624 -0.051,625 -0.128,626 -0.051,627 -0.058,628 -0.01,629 -0.115,630 -0.024,631 0.023,632 -0.116,633 -0.016,634 -0.063,635 0.092,636 -0.017,637 0.024,638 -0.136,639 -0.023,640 -0.145,641 -0.027,642 -0.084,643 -0.022,644 -0.076,645 0.034,646 -0.123,647 -0.052,648 -0.109,649 -0.048,650 0.043,651 -0.115,652 -0.032,653 -0.018,654 -0.077,655 -0.12,656 0.165,657 -0.078,658 0.176,659 -0.068,660 -0.007,661 2.117,662 5.544,663 0.846,664 18.846,665 1.025,666 1.099,667 3.256,668 10.602,669 0.758,670 3.434,671 3.85,672 4.234,673 4.644,674 4.97,675 5.182,676 5.447,677 5.677,678 5.778,679 5.869,680 4.97,681 0.747,682 362.78,683 3.434,684 5.03,685 5.943,686 6.887,687 7.824,688 8.776,689 9.723,690 10.679,691 11.632,692 12.591,693 5.4,700 1,701 1,708 4,709 8,711 1,714 6,716 21,732 1,734 1,735 37,737 23,738 3,739 30,741 41,742 20,743 18,744 10,745 8,746 2,748 5,749 11,750 1,762 20,767 2,772 2,776 2,780 1,783 11,784 4,785 3,786 6,787 1,792 2,794 1,797 0.4,798 3,811 1,815 2,816 3,819 3,822 1,843 2,848 1,851 26,857 1,860 1,873 1,874 8.1,876 1,877 2,881 13,882 6.843,883 5.444,884 2.155,886 4.374,887 1.533,888 1.076,889 3.169,890 12.582,891 3.773,892 4.508,893 5.243,894 6.005,895 6.7,896 7.231,897 7.847,898 8.426,899 8.852,900 9.282,901 0.833,902 49,903 9.651,905 4.481,906 8.004,907 17.874,909 15.625,911 2.504,912 65.111,916 94.169,917 110.896,918 34.796,919 39.149,920 92.973,923 110.896,924 226.291,925 34.796,927 18.011,928 75.81,929 102.382,930 38.174,931 4.288,932 94.169,933 39.149,934 94.169,935 145.693,936 92.973,937 39.149,939 94.169,940 92.973,943 34.796,944 110.896,945 39.149,947 94.169,948 127.769,949 150.045,952 94.169,953 35.086,954 75.81,955 34.796,956 132.122,957 94.169,958 127.769,959 150.045,961 0.602,962 0.368,963 0.219,964 0.13,965 27,966 12,967 0.024,968 1,969 3,970 1.273,971 3.596,972 254.668,973 0.273,974 22,975 120.211,981 15.438,982 5.337,983 2.131,984 2.768,985 110.984,986 13.903,988 3.254,991 2.469,993 77.48,994 371.983,995 42.5,1000 25.059,1004 -0.899,1007 37.927,1008 40.645,1009 0.319,1010 0.658,1011 0.834,1012 0.979,1013 1,1014 1,1015 5.045,1016 1.638,1017 5.974,1018 5.105,1019 4.533,1020 5.196,1021 1.641,1022 6.903,1023 4.488,1024 6.317,1025 1.414,1026 7.601,1027 4.753,1028 4.29,1029 5.231,1031 8.003,1032 4.219,1033 7.678,1034 1.317,1035 9.329,1036 3.862,1037 6.232,1038 7.577,1039 1.786,1040 11.204,1041 6.162,1042 9.077,1043 0.985,1044 11.116,1045 3.051,1046 6.804,1047 8.438,1049 13.163,1050 6.716,1051 10.51,1052 0.552,1053 12.941,1054 2.641,1055 8.26,1056 10.293,1057 2.014,1058 15.901,1059 8.173,1060 11.967,1061 -0.073,1062 14.794,1063 1.481,1064 9.199,1065 11.545,1067 18.21,1068 9.103,1069 13.446,1070 -0.317,1071 16.668,1072 -0.178,1073 10.484,1074 13.216,1075 2.296,1076 20.802,1077 10.386,1078 3.469,1079 -0.434,1080 18.558,1081 -0.79,1082 11.583,1083 14.651,1085 23.251,1086 11.481,1087 3.046,1088 12.93,1089 20.462,1090 -1.25,1091 12.814,1092 16.256,1093 2.61,1094 25.802,1095 12.709,1096 2.809,1097 10.832,1098 22.376,1099 4.947,1100 13.981,1101 17.774,1103 28.308,1104 13.874,1105 2.367,1106 9.356,1107 24.3,1108 4.184,1109 15.199,1110 19.36,1111 2.943,1112 30.851,1113 15.09,1114 2.175,1115 7.319,1116 26.23,1117 3.751,1118 16.398,1119 20.916,1121 33.381,1122 16.287,1123 1.983,1124 6.802,1125 28.167,1126 3.323,1127 17.616,1128 22.5,1129 3.287,1130 35.926,1131 17.503,1132 1.68,1133 5.767,1134 30.109,1135 2.974,1136 18.831,1137 24.074,1139 38.467,1140 18.715,1141 6554,1142 12026,1143 20.115,1144 28.04,1145 47.427,1146 49.362,1147 49.423,1148 47.03,1149 46.869,1150 65.412,1151 4,1152 147.798,1153 45.643,1154 5.74,1155 5.849,1156 6.939,1157 5.505,1158 5.469,1159 7.947,1160 2.4,1161 20.7,1162 5.451,1163 12.497,1164 1.581,1165 1.645,1166 1.647,1167 1.568,1168 1.562,1169 2.18,1170 0.133,1171 4.927,1172 1.521,1173 4.248,1174 4.268,1175 4.234,1176 4.181,1177 7.45,1178 4.19,1179 3.917,1180 3.936,1181 3.99,1182 3.869,1183 7.408,1184 3.864,1185 3.76,1186 3.779,1187 3.759,1188 3.655,1189 6.471,1190 3.664,1191 3.462,1192 3.496,1193 3.41,1194 3.267,1195 5.013,1196 3.3,1197 3.133,1198 3.16,1199 3.294,1200 3.025,1201 4.9,1202 3.03,1203 2.985,1204 3.027,1205 3.078,1206 2.819,1207 4.387,1208 2.829,1209 2.879,1210 2.922,1211 2.911,1212 2.798,1213 4.314,1214 2.77,1215 2.807,1216 2.786,1217 2.756,1218 2.583,1219 3.999,1220 2.593,1221 0.163,1222 0.128,1223 0.242,1224 0.149,1225 0.116,1226 4.888,1227 0.165,1228 3.849,1229 0.04,1230 7.254,1231 0.431,1232 4.464,1233 0.115,1234 3.469,1235 4.947,1236 1.2,1237 12.93,1238 3.451,1239 2.026,1240 2.019,1241 2.069,1242 2.066,1243 1.287,1244 2.069,1245 1.914,1246 1.894,1247 1.995,1248 2.013,1249 1.118,1250 2.008,1251 1.769,1252 1.743,1253 1.858,1254 1.864,1255 0.967,1256 1.87,1257 1.318,1258 1.294,1259 1.399,1260 1.631,1261 0.42,1262 1.56,1263 1.186,1264 1.155,1265 1.295,1266 1.418,1267 0.346,1268 1.381,1269 0.985,1270 0.95,1271 1.172,1272 1.116,1273 0.178,1274 1.138,1275 0.869,1276 0.847,1277 1.112,1278 1.088,1279 0.162,1280 1.062,1281 0.856,1282 0.824,1283 0.978,1284 1.019,1285 0.083,1286 1.037,1287 4.111,1289 5.501,1290 3.045,1291 7.091,1292 5.533,1293 8.778,1294 7.743,1295 10.522,1298 6.335,1302 9.845,1305 2.376,1314 27.649,1315 61.503,1316 126.75,1317 160.75,1318 188.75,1319 192.75,1320 192.75,1321 48.336,1322 8.209,1323 85.95,1324 85.95,1325 28,1326 13.076,1327 4.585,1328 3.755,1329 33.527,1330 80,1331 75,1332 0.222,1333 167.359,1334 283.7,1335 400.116,1336 38785,1337 2.7,1338 17.999,1339 0.692,1340 0.539,1341 18.499,1342 14.016,1343 12.542,1344 0.418,1345 0.278,1346 7.917,1347 11.922,1348 7.752,1349 6.332,1350 12.83,1351 8.342,1352 12.085,1353 0.263,1354 0.144,1355 12.456,1356 6.622,1357 10.698,1358 0.157,1359 0.074,1360 11.057,1361 5.044,1362 9.951,1363 0.097,1364 0.038,1365 10.26,1366 3.875,1367 8.651,1368 0.06,1369 0.019,1370 8.885,1371 2.771,1372 0.327,1373 80.974,1374 0.223,1375 23.977,1376 0.681,1377 152,1378 456.49,1379 178.159,1380 476.532,1381 646.14,1382 442,1383 190,1384 459.673,1385 211.688,1386 477.577,1387 714.18,1388 452,1389 7.6}
{0 CHEMBL38380,1 1.708,2 7.1,3 0.713,4 0.509,5 78.321,6 7.876,7 0.5,8 3.721,9 3.828,10 3.536,11 3.305,12 4.699,13 3.248,14 4.303,15 4.473,16 3.816,17 3.711,18 5.53,19 3.631,20 4.599,21 4.802,22 3.986,23 3.946,24 5.61,25 3.825,26 4.716,27 4.917,28 3.916,29 3.903,30 5.871,31 3.768,32 4.588,33 4.795,34 3.706,35 3.676,36 5.884,37 3.599,38 4.349,39 4.556,40 3.266,41 3.502,42 5.541,43 3.4,44 4.205,45 4.46,46 2.969,47 3.429,48 4.944,49 3.246,50 4.16,51 4.481,52 2.567,53 3.132,54 4.844,55 2.903,56 0.079,57 0.592,58 10.365,59 3.712,60 13.847,61 4.492,62 0.343,63 0.958,64 16.672,65 6.061,66 44.605,67 7.669,68 0.248,69 1.235,70 28.647,71 9.823,72 31.598,73 11.551,74 0.431,75 1.244,76 34.113,77 10.6,78 73.36,79 11.968,80 0.534,81 1.023,82 29.829,83 8.503,84 86.926,85 9.899,86 0.457,87 0.82,88 17.485,89 6.021,90 70.783,91 7.874,92 0.084,93 0.764,94 14.554,95 6.085,96 15.688,97 8.825,98 0.17,99 0.672,100 16.21,101 5.222,102 23.421,103 7.971,104 5,105 31,106 0.308,107 0.595,108 0.755,109 0.882,110 0.882,111 0.882,112 3.06,113 1.114,114 -1.92,115 -1.98,116 -1.98,119 37.8,121 1,125 4,142 4,143 2,144 1,145 2,172 5,174 3,175 3,180 1,183 5,188 8,191 1,196 4,200 12,208 1,213 4,216 2,221 2,224 3,230 2,233 3,243 3,246 1,250 1,255 1,267 1,276 452,277 13.584,278 13.584,279 13.584,280 13.584,281 13.584,282 12.057,283 13.45,284 8.169,285 13.918,286 10.874,287 10.874,288 10.874,289 10.874,290 10.874,291 8.522,292 18.948,293 3.851,294 11.408,295 3.501,296 1.912,297 1.027,298 0.324,299 0.324,300 0.324,301 3.74,305 1,306 1,307 306,308 2.828,312 88.681,313 63.676,316 76.143,319 1.02,320 26.861,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 43.5,332 142,333 4.982,334 4.745,335 7.733,336 4.484,337 3.558,338 4.875,339 0.4,340 13.97,341 3.274,342 4.318,343 2.87,344 6.387,345 3.825,346 2.836,347 4.166,348 0.4,349 9.593,350 2.802,351 3.323,352 2.507,353 5.43,354 3.049,355 2.11,356 2.618,358 6.225,359 1.972,360 3.118,361 1.904,362 4.56,363 2.671,364 1.703,365 2.427,367 4.485,368 1.65,369 3.036,370 1.618,371 4.069,372 2.603,373 1.618,374 2.076,376 3.644,377 1.592,378 2.761,379 1.53,380 3.689,381 2.264,382 1.333,383 1.888,385 3.081,386 1.24,387 2.455,388 1.355,389 3.577,390 2.219,391 1.247,392 1.439,394 2.78,395 1.208,396 2.247,397 1.257,398 3.414,399 2.209,400 1.247,401 1.247,403 2.606,404 1.194,405 2.224,406 0.831,407 3.304,408 1.694,409 0.719,410 1.067,412 1.734,413 0.699,414 1.043,415 0.151,416 2.833,417 0.74,418 -0.224,419 -0.232,421 -0.496,422 -0.215,423 1,424 -0.119,425 2.538,426 0.517,427 -0.445,428 -0.445,430 -1,431 -0.416,432 0.882,433 -0.193,434 2.289,435 0.494,436 -0.445,437 -0.645,439 -1.13,440 -0.422,441 0.828,442 -0.618,443 2,444 0.366,445 -0.618,446 -0.927,448 -1.478,449 -0.608,450 0.555,451 -0.741,452 2,454 -1,455 -1.455,457 -2.449,458 -0.935,459 0.483,460 -1,461 2,462 -0.049,463 -1,464 -1.63,466 -3,467 -1,468 9.7,469 0.485,470 0.478,471 0.024,472 26,473 1.3,474 13,475 0.65,476 13,477 0.65,478 14.651,479 0.733,480 22.1,481 0.597,482 17.976,483 0.899,484 4.904,485 0.245,486 4.79,487 0.239,488 0.069,489 0.086,490 0.196,496 0.515,497 1.478,498 0.832,499 1.309,500 0.618,501 1.003,502 0.75,503 0.99,504 0.862,505 0.843,506 0.557,507 0.91,508 0.869,509 1.009,510 1.18,511 1.142,512 0.725,513 0.926,514 1.561,515 1.094,516 1.4,517 1.258,518 1.668,519 1.077,520 1.73,521 0.978,522 1.255,523 1.088,524 2.021,525 0.904,526 1.506,527 0.795,528 0.928,529 0.762,530 1.768,531 1.083,532 0.232,533 1.211,534 0.718,535 1.075,536 0.148,537 1.299,538 0.395,539 0.988,540 0.662,541 0.83,542 0.191,543 1.043,544 3.5,546 2.889,547 1.938,548 1.248,549 0.622,550 0.202,551 0.089,552 0.039,553 0.007,554 3387,555 9046,556 2.095,557 45.9,559 12,561 2,562 1,565 2,567 1.625,568 1.983,569 2.859,570 -0.222,572 1,574 1,577 63.205,578 1.708,579 3.298,580 4.182,581 4.885,582 4.885,583 4.885,584 2.243,585 3.622,586 4.298,587 2.94,588 558.641,589 7.375,590 5501.99,592 1,595 192.75,596 1.417,597 4.254,598 0.159,600 0.093,601 0.054,602 0.042,603 0.022,604 0.011,605 0.006,606 0.005,607 0.003,608 0.395,609 0.67,610 1,611 0.548,612 85.905,613 0.126,614 -0.239,615 0.255,616 -0.114,617 -0.115,618 0.012,619 0.182,620 0.152,621 0.057,622 0.128,623 0.227,624 0.026,625 -0.023,626 0.067,627 0.025,628 0.028,629 0.048,630 0.089,631 -0.22,632 -0.111,633 -0.141,634 -0.103,635 -0.132,636 -0.094,637 -0.129,638 -0.055,639 -0.113,640 -0.051,641 -0.118,642 0.04,643 -0.171,644 0.111,645 -0.244,646 0.004,647 -0.229,648 -0.18,649 0.084,650 -0.316,651 -0.09,652 -0.256,653 0.025,654 -0.28,655 0.067,656 -0.151,657 0.056,658 -0.067,659 0.042,660 -0.056,661 4.363,662 5.832,663 0.85,664 11.26,665 1.006,666 1.128,667 0.691,668 0.477,669 0.673,670 3.135,671 3.466,672 3.761,673 4.007,674 4.22,675 4.234,676 4.248,677 4.277,678 4.234,679 4.078,680 4.409,681 0.632,682 291.41,683 3.135,684 4.673,685 5.533,686 6.425,687 7.31,688 8.21,689 9.105,690 10.009,691 10.908,692 11.815,693 8.1,695 1,696 1,703 1,708 2,709 6,710 1,714 1,716 11,735 37,737 13,738 1,739 22,741 39,742 14,743 9,744 3,745 3,748 3,749 4,757 1,760 1,762 9,763 5,767 2,770 1,772 2,779 1,780 1,783 17,784 5,785 1,786 6,787 1,792 3,797 0.667,798 2,809 1,816 2,817 1,820 1,838 1,843 2,845 1,851 20,855 1,858 5,860 1,864 1,874 5.4,877 2,881 10.083,882 6.4,883 4.389,884 2.256,886 2.409,887 1.363,888 1.011,889 3.703,890 9.052,891 3.418,892 4.052,893 4.63,894 5.218,895 5.783,896 6.018,897 6.411,898 6.699,899 6.956,900 6.747,901 0.8,902 36,903 7.653,905 3.512,906 7.846,907 14.366,909 12.232,911 2.346,912 46.917,913 0.001,916 188.338,917 79.461,918 36.315,920 44.313,922 5.807,923 73.654,924 232.651,925 36.315,927 10.957,928 61.723,929 84.641,930 26.31,932 164.795,934 188.338,935 109.969,936 44.313,937 5.807,939 164.795,940 67.855,943 48.582,944 44.602,945 22.593,947 188.338,948 80.628,949 79.461,951 5.807,952 188.338,953 17.654,954 57.518,955 18.011,956 61.098,957 188.338,958 80.628,959 79.461,961 0.579,962 0.35,963 0.194,964 0.105,965 16,966 6,967 0.051,968 2,969 1,970 1.118,971 3.136,972 156.955,973 0.118,974 17,975 84.439,980 1,981 13.5,982 5.487,983 2.58,984 1.584,985 80.628,986 10.413,987 4.045,991 0.374,993 18.011,994 348.427,995 29.5,998 -3.446,1000 25.663,1007 37.222,1008 41.74,1009 0.328,1010 0.633,1011 0.803,1012 0.938,1013 0.938,1014 0.938,1015 4.652,1016 1.247,1017 5.549,1018 2.78,1019 4.143,1020 4.736,1021 0.495,1022 6.454,1023 4.048,1024 5.886,1025 0.719,1026 7.174,1027 2.606,1028 3.892,1029 4.89,1031 7.854,1032 3.705,1033 7.255,1034 -0.224,1035 8.939,1036 1.734,1037 5.861,1038 7.144,1039 0.097,1040 10.979,1041 5.641,1042 8.682,1043 -0.445,1044 10.793,1045 -0.496,1046 6.524,1047 8.177,1049 13.23,1050 6.19,1051 10.156,1052 -0.445,1053 12.705,1054 -1,1055 7.999,1056 9.967,1057 0.016,1058 15.989,1059 7.622,1060 11.663,1061 -0.618,1062 14.655,1063 -1.13,1064 9.039,1065 11.33,1067 18.497,1068 8.55,1069 13.195,1070 -1,1071 16.629,1072 -1.478,1073 10.356,1074 12.971,1075 0.003,1076 21.165,1077 9.803,1078 3.558,1079 -1,1080 18.621,1081 -2.449,1082 11.536,1083 14.457,1085 23.755,1086 10.879,1087 2.836,1088 13.97,1089 20.625,1090 -3,1091 12.807,1092 16.048,1094 26.399,1095 12.073,1096 2.11,1097 9.593,1098 22.638,1099 4.875,1100 14.038,1101 17.582,1103 29.018,1104 13.206,1105 1.703,1106 6.225,1107 24.657,1108 4.166,1109 15.3,1110 19.158,1112 31.656,1113 14.383,1114 1.618,1115 4.485,1116 26.682,1117 2.618,1118 16.55,1119 20.713,1121 34.286,1122 15.539,1123 1.333,1124 3.644,1125 28.711,1126 2.427,1127 17.812,1128 22.286,1130 36.923,1131 16.713,1132 1.247,1133 3.081,1134 30.743,1135 2.076,1136 19.071,1137 23.852,1139 39.557,1140 17.881,1141 3310,1142 5539,1143 14.792,1144 24.904,1145 32.793,1146 33.511,1147 33.628,1148 32.775,1149 32.745,1150 43.606,1151 1.6,1152 96.235,1153 31.26,1154 5.931,1155 6.745,1156 7.523,1157 5.56,1158 5.558,1159 7.875,1160 0.8,1161 22.349,1162 5.274,1163 6.818,1164 1.491,1165 1.523,1166 1.529,1167 1.49,1168 1.488,1169 1.982,1170 0.073,1171 4.374,1172 1.421,1173 4.163,1174 4.158,1175 4.747,1176 4.144,1177 7.715,1178 4.088,1179 3.864,1180 3.905,1181 3.931,1182 3.754,1183 6.999,1184 3.705,1185 3.616,1186 3.628,1187 3.575,1188 3.477,1189 4.969,1190 3.436,1191 3.37,1192 3.418,1193 3.287,1194 3.252,1195 4.427,1196 3.239,1197 3.266,1198 3.355,1199 3.049,1200 3.099,1201 4.36,1202 3.075,1203 3.015,1204 3.101,1205 2.863,1206 2.829,1207 3.835,1208 2.825,1209 2.872,1210 2.917,1211 2.78,1212 2.679,1213 3.741,1214 2.661,1215 2.577,1216 2.64,1217 2.485,1218 2.418,1219 3.645,1220 2.425,1221 0.226,1222 0.216,1223 0.351,1224 0.204,1225 0.162,1226 4.982,1227 0.222,1228 4.745,1229 0.018,1230 7.733,1231 0.635,1232 4.484,1233 0.149,1234 3.558,1235 4.875,1236 0.4,1237 13.97,1238 3.274,1239 2.08,1240 2.078,1241 2.109,1242 2.14,1243 1.334,1244 2.16,1245 1.7,1246 1.686,1247 1.888,1248 1.88,1249 1.202,1250 1.904,1251 1.607,1252 1.531,1253 1.815,1254 1.843,1255 1.111,1256 1.858,1257 1.411,1258 1.361,1259 1.575,1260 1.575,1261 0.636,1262 1.595,1263 1.259,1264 1.248,1265 1.241,1266 1.406,1267 0.536,1268 1.454,1269 0.879,1270 0.841,1271 1.198,1272 1.069,1273 0.426,1274 1.117,1275 0.752,1276 0.636,1277 1.022,1278 1.048,1279 0.208,1280 1.085,1281 0.553,1282 0.488,1283 0.882,1284 0.846,1285 0.082,1286 0.891,1287 3.807,1289 5.13,1291 6.671,1292 2.708,1293 8.318,1294 4.977,1295 10.023,1303 3.489,1305 3.222,1309 1.572,1314 23.369,1315 63.205,1316 122.021,1317 154.75,1318 180.75,1319 180.75,1320 180.75,1321 37.6,1322 6.644,1323 62.3,1324 70.68,1325 19,1326 12.334,1327 3.807,1328 3.087,1329 29.685,1330 52,1331 45,1332 0.288,1333 147.752,1334 247.77,1335 352.276,1336 5941,1338 14.002,1339 0.7,1340 0.597,1341 14.252,1342 11.935,1343 9.694,1344 0.441,1345 0.371,1346 6.761,1347 8.567,1348 6.527,1349 5.379,1350 10.482,1351 8.171,1352 8.756,1353 0.282,1354 0.218,1355 10.056,1356 6.767,1357 7.438,1358 0.177,1359 0.131,1360 8.765,1361 5.514,1362 6.188,1363 0.115,1364 0.078,1365 7.436,1366 4.212,1367 5.042,1368 0.075,1369 0.045,1370 6.152,1371 3.018,1372 0.425,1373 68.6,1374 0.26,1375 19.323,1376 0.875,1377 106,1378 311.955,1379 155.385,1380 321.264,1381 436.09,1382 296,1383 126,1384 290.273,1385 185.037,1386 331.278,1387 486.3,1388 311,1389 5.1}
{0 CHEMBL384304,1 1.968,2 12.033,3 1.658,4 2.749,5 109.44,6 8.657,7 0.375,8 4.056,9 4.16,10 3.858,11 3.537,12 5.251,13 3.538,14 4.617,15 4.777,16 4.158,17 3.908,18 5.995,19 3.907,20 4.88,21 5.061,22 4.271,23 4.064,24 6.262,25 4.058,26 4.97,27 5.157,28 4.23,29 4.054,30 6.454,31 4.03,32 4.944,33 5.176,34 4.081,35 3.955,36 6.289,37 3.925,38 4.789,39 5.011,40 4.025,41 3.819,42 6.221,43 3.798,44 4.649,45 4.869,46 3.851,47 3.69,48 6.013,49 3.657,50 4.55,51 4.811,52 3.677,53 3.553,54 5.847,55 3.48,56 0.25,57 0.925,58 11.052,59 4.708,60 37.82,61 5.191,62 0.752,63 1.413,64 22.484,65 8.115,66 88.598,67 9.215,68 1.11,69 1.841,70 31.381,71 9.87,72 161.414,73 11.228,74 1.469,75 1.667,76 34.955,77 10.782,78 211.429,79 12.687,80 1.361,81 1.548,82 35.038,83 9.377,84 196.719,85 12.633,86 1.248,87 1.518,88 28.584,89 7.928,90 153.265,91 10.233,92 0.992,93 1.329,94 24.279,95 6.467,96 138.479,97 8.546,98 0.894,99 1.003,100 23.773,101 6.066,102 111.734,103 8.642,104 69,105 47,106 0.331,107 0.676,108 0.829,109 0.842,110 0.842,111 0.842,112 3.44,113 1.019,114 -3.31,115 -3.3,116 -3.16,119 35.3,121 2,124 2,125 2,127 1,142 2,143 2,144 3,145 1,147 1,150 1,157 1,163 1,164 1,165 1,172 1,174 4,175 8,177 1,178 3,180 3,183 3,185 1,188 1,196 1,199 3,200 12,202 2,203 3,204 1,205 2,207 1,208 1,210 1,213 1,221 1,224 4,225 2,227 1,228 4,230 4,233 2,235 3,238 2,243 1,248 1,249 4,250 3,252 1,253 2,255 1,258 2,269 1,276 1404,277 19.342,278 19.342,279 19.342,280 19.342,281 19.342,282 17.325,283 28.462,284 10.889,285 19.929,286 15.638,287 15.638,288 15.638,289 15.638,290 15.638,291 12.464,292 46.697,293 5.013,294 16.573,295 3.704,296 1.649,297 0.735,298 0.657,299 0.657,300 0.657,301 4.112,305 1,306 1,307 752,308 3.937,312 332.07,319 2.036,320 65.262,323 1,324 0.83,325 1,326 1,327 0.5,328 1,329 1,330 0.9,331 69.5,332 361,333 4.743,334 4.375,335 7.111,336 4.249,337 3.314,338 4.51,339 0.86,340 11.657,341 3.193,342 4.595,343 3.717,344 6.92,345 4.226,346 3.243,347 4.285,348 0.4,349 11.501,350 3.08,351 4.244,352 3.251,353 6.261,354 3.809,355 2.864,356 3.903,357 0.4,358 9.202,359 2.703,360 3.772,361 2.89,362 5.617,363 3.525,364 2.57,365 3.108,367 7.656,368 2.448,369 3.566,370 2.731,371 5.526,372 3.213,373 2.282,374 2.855,376 6.9,377 2.114,378 3.386,379 2.587,380 5.13,381 3.061,382 2.128,383 2.497,385 6.205,386 1.961,387 3.166,388 2.296,389 4.864,390 2.77,391 1.819,392 2.337,394 5.123,395 1.719,396 2.861,397 2.14,398 4.559,399 2.477,400 1.555,401 1.994,403 4.586,404 1.426,405 2.722,406 1.917,407 4.364,408 2.391,409 1.451,410 1.712,412 3.838,413 1.354,414 2.543,415 1.403,416 3.818,417 2.017,418 1.048,419 1.472,421 2.607,422 0.999,423 2,424 1.245,425 3.414,426 1.984,427 1,428 1,430 2.275,431 0.983,432 1.775,433 1.077,434 3.128,435 1.464,436 0.595,437 0.674,439 1.014,440 0.509,441 1.383,442 0.921,443 2.992,444 1.099,445 0.185,446 0.208,448 0.474,449 0.164,450 1.301,451 0.586,452 2.793,453 0.919,454 0.036,455 0.042,457 0.076,458 0.031,459 1,460 0.362,461 2.655,462 0.696,463 -0.24,464 -0.285,466 -0.539,467 -0.222,468 13.738,469 0.458,470 1.06,471 0.035,472 38,473 1.267,474 18,475 0.6,476 20,477 0.667,478 25.976,479 0.866,480 34.862,481 0.684,482 33.238,483 1.108,484 7.42,485 0.247,486 6.692,487 0.223,488 0.216,489 0.061,490 0.357,494 2,496 0.631,497 1.282,498 0.76,499 1.34,500 0.622,501 1.008,502 0.716,503 0.968,504 0.896,505 1.037,506 0.555,507 0.879,508 1.008,509 1.075,510 1.059,511 1.089,512 0.895,513 0.971,514 0.913,515 0.983,516 1.071,517 1.095,518 0.971,519 1.102,520 0.9,521 0.937,522 0.812,523 0.832,524 0.928,525 0.901,526 0.92,527 0.954,528 0.894,529 0.826,530 0.947,531 0.957,532 1.1,533 1.152,534 1.008,535 1.011,536 1.059,537 1.137,538 0.675,539 0.664,540 0.823,541 0.699,542 0.714,543 0.877,544 8,545 0.198,546 4.444,547 2.938,548 2.2,549 1.347,550 0.709,551 0.602,552 0.32,553 0.276,554 11502,555 44179,556 1.948,557 41.2,559 13,561 1,562 3,565 4,567 1.725,568 1.756,569 3.497,570 1.032,572 1,577 100.387,578 1.968,579 4.023,580 4.937,581 5.015,582 5.015,583 5.015,584 2.944,585 4.282,586 4.877,587 3.762,588 1636.3,589 8.489,590 23148.3,592 1,594 1,595 289.294,596 1.731,597 4.788,598 0.25,599 0.008,600 0.095,601 0.058,602 0.047,603 0.033,604 0.019,605 0.02,606 0.013,607 0.011,608 0.553,609 0.33,610 0.88,611 0.933,612 155.478,613 -0.03,614 -0.177,615 0.16,616 -0.107,617 -0.087,618 0.008,619 0.053,620 0.009,621 0.035,622 0.028,623 0.125,624 0.1,625 -0.111,626 -0.065,627 -0.093,628 -0.057,629 -0.001,630 -0.001,631 0.05,632 -0.055,633 -0.129,634 -0.126,635 0.029,636 -0.141,637 -0.02,638 -0.113,639 0.062,640 0.018,641 -0.027,642 0.077,643 0.067,644 0.07,645 -0.015,646 0.025,647 -0.012,648 -0.027,649 -0.118,650 -0.055,651 -0.13,652 -0.13,653 -0.119,654 -0.199,655 0.093,656 0.144,657 0.096,658 0.127,659 0.022,660 0.084,661 4.15,662 6.204,663 0.6,664 31.387,665 1.037,666 1.15,667 2.083,668 4.337,669 0.651,670 3.497,671 3.871,672 4.111,673 4.317,674 4.511,675 4.564,676 4.575,677 4.644,678 4.718,679 4.796,680 7.355,681 0.64,682 441.51,683 3.497,684 5.069,685 5.922,686 6.817,687 7.686,688 8.581,689 9.455,690 10.349,691 11.226,692 12.121,693 9.8,696 1,697 1,698 1,703 2,709 3,710 2,714 7,716 12,721 1,727 1,728 1,733 1,734 2,735 51,737 15,738 1,739 32,741 53,742 18,743 10,744 4,745 2,746 1,748 3,749 3,757 3,760 3,762 11,763 7,767 3,770 1,772 3,776 1,780 1,781 2,783 21,784 11,785 3,786 12,787 1,792 5,797 1,798 4,810 1,816 3,843 3,845 1,847 2,849 2,851 30,852 1,855 1,858 4,860 1,861 1,863 1,864 1,873 2,874 7.8,877 3,879 1,881 17.083,882 9.636,883 6.5,884 2.792,886 2.409,887 1.325,888 0.964,889 6.558,890 9.829,891 3.738,892 4.369,893 4.828,894 5.317,895 5.786,896 5.979,897 6.19,898 6.475,899 6.767,900 7.01,901 0.875,902 51,903 11.441,905 5.311,906 8.386,907 20.279,909 16.719,911 2.886,912 86.583,916 211.88,917 100.378,918 85.998,920 80.458,921 29.92,922 5.807,923 94.571,924 292.338,925 115.918,926 18.073,927 9.28,928 57.657,929 137.944,930 51.422,931 34.147,932 200.109,934 211.88,935 180.568,936 110.378,937 5.807,939 194.716,940 127.542,943 21.746,944 107.241,945 57.389,947 241.8,948 166.455,949 100.378,951 5.807,952 211.88,953 48.498,954 47.592,955 18.011,956 176.846,957 211.88,958 196.376,959 100.378,961 0.6,962 0.353,963 0.176,964 0.092,965 22,966 12,967 0.113,968 6,970 1,971 3.95,972 262.295,974 18,975 141.207,980 1,981 22.35,982 8.803,983 4.885,985 196.376,986 3.122,987 8.079,991 -3.545,993 50.908,994 508.634,995 41,998 -3.234,1000 35.878,1004 -0.908,1007 52.872,1008 58.665,1009 0.347,1010 0.709,1011 0.87,1012 0.884,1013 0.884,1014 0.884,1015 5.017,1016 1.555,1017 5.974,1018 5.123,1019 4.554,1020 5.056,1021 1.138,1022 6.849,1023 4.445,1024 6.272,1025 1.451,1026 7.593,1027 4.586,1028 4.443,1029 5.255,1031 8.048,1032 4.27,1033 7.638,1034 1.048,1035 9.32,1036 3.838,1037 6.267,1038 7.361,1039 0.787,1040 11.074,1041 6.069,1042 9.04,1043 1,1044 11.108,1045 2.607,1046 6.909,1047 8.315,1049 13.036,1050 6.65,1051 10.475,1052 0.595,1053 12.935,1054 2.275,1055 8.296,1056 10.011,1057 0.602,1058 15.667,1059 8.011,1060 11.932,1061 0.185,1062 14.788,1063 1.014,1064 9.247,1065 11.263,1067 17.92,1068 8.91,1069 13.406,1070 0.036,1071 16.661,1072 0.474,1073 10.489,1074 12.824,1075 0.471,1076 20.427,1077 10.119,1078 3.314,1079 -0.24,1080 18.549,1081 0.076,1082 11.57,1083 14.2,1085 22.795,1086 11.154,1087 3.243,1088 11.657,1089 20.449,1090 -0.539,1091 12.763,1092 15.712,1093 0.367,1094 25.261,1095 12.311,1096 2.864,1097 11.501,1098 22.358,1099 4.51,1100 13.9,1101 17.143,1103 27.675,1104 13.404,1105 2.57,1106 9.202,1107 24.274,1108 4.285,1109 15.08,1110 18.636,1111 0.283,1112 30.127,1113 14.546,1114 2.282,1115 7.656,1116 26.196,1117 3.903,1118 16.24,1119 20.094,1121 32.561,1122 15.665,1123 2.128,1124 6.9,1125 28.123,1126 3.108,1127 17.419,1128 21.58,1129 0.217,1130 35.01,1131 16.804,1132 1.819,1133 6.205,1134 30.054,1135 2.855,1136 18.591,1137 23.052,1139 37.452,1140 17.936,1141 11404,1142 22526,1143 19.997,1144 33.222,1145 48.236,1146 51.698,1147 51.032,1148 48.197,1149 48.177,1150 61.194,1151 3.32,1152 146.229,1153 45.367,1154 5.743,1155 6.375,1156 6.654,1157 5.318,1158 5.314,1159 7.51,1160 1.72,1161 19.141,1162 5.193,1163 20.517,1164 1.507,1165 1.616,1166 1.595,1167 1.506,1168 1.506,1169 1.912,1170 0.104,1171 4.57,1172 1.418,1173 4.045,1174 4.06,1175 4.722,1176 3.973,1177 8.239,1178 3.916,1179 3.977,1180 3.98,1181 3.982,1182 3.883,1183 8.161,1184 3.844,1185 3.821,1186 3.856,1187 3.801,1188 3.667,1189 7.716,1190 3.68,1191 3.658,1192 3.68,1193 3.605,1194 3.544,1195 7.427,1196 3.507,1197 3.265,1198 3.323,1199 3.187,1200 3.006,1201 6.999,1202 3.04,1203 3.214,1204 3.257,1205 3.118,1206 2.958,1207 5.181,1208 2.98,1209 3.111,1210 3.206,1211 2.899,1212 2.941,1213 4.761,1214 2.91,1215 3.026,1216 3.126,1217 2.866,1218 2.753,1219 4.721,1220 2.768,1221 0.148,1222 0.137,1223 0.222,1224 0.133,1225 0.104,1226 4.743,1227 0.141,1228 4.375,1229 0.027,1230 7.111,1231 0.364,1232 4.249,1233 0.1,1234 3.314,1235 4.51,1236 0.86,1237 11.657,1238 3.193,1239 1.916,1240 1.901,1241 2.027,1242 2.073,1243 1.414,1244 2.087,1245 1.878,1246 1.863,1247 1.954,1248 2.019,1249 1.07,1250 2.007,1251 1.721,1252 1.692,1253 1.782,1254 1.902,1255 0.964,1256 1.887,1257 1.575,1258 1.568,1259 1.598,1260 1.726,1261 0.825,1262 1.781,1263 1.19,1264 1.12,1265 1.563,1266 1.515,1267 0.786,1268 1.527,1269 1.153,1270 1.065,1271 1.513,1272 1.376,1273 0.569,1274 1.429,1275 1.108,1276 1.064,1277 1.324,1278 1.375,1279 0.53,1280 1.362,1281 0.94,1282 0.856,1283 1.188,1284 1.283,1285 0.166,1286 1.26,1287 4.174,1289 5.533,1291 7.084,1293 8.719,1295 10.395,1297 2.391,1299 27.806,1301 5.867,1303 1.813,1305 3.049,1306 4.952,1308 -0.079,1309 1.392,1314 32.661,1315 100.387,1316 205.181,1317 251.784,1318 255.784,1319 255.784,1320 255.784,1321 108.01,1322 7.419,1323 127.51,1324 135.89,1325 18,1326 12.65,1327 4,1328 3.322,1329 55.609,1330 135,1331 120,1332 0.206,1333 204.244,1334 363.41,1335 490.116,1336 16548,1337 3.9,1338 22.052,1339 0.735,1340 0.572,1341 20.561,1342 17.17,1343 14.112,1344 0.441,1345 0.34,1346 8.965,1347 12.484,1348 8.611,1349 7.094,1350 14.185,1351 10.872,1352 13.658,1353 0.291,1354 0.188,1355 14.002,1356 8.823,1357 10.931,1358 0.182,1359 0.102,1360 10.682,1361 6.126,1362 8.673,1363 0.117,1364 0.055,1365 8.531,1366 4.077,1367 6.563,1368 0.073,1369 0.031,1370 6.387,1371 2.767,1372 0.328,1373 100.154,1374 0.224,1375 28.5,1376 0.551,1377 158,1378 680.605,1379 217.65,1380 611.287,1381 791.61,1382 560,1383 186,1384 529.952,1385 252.213,1386 553.056,1387 803.79,1388 514,1389 5}
{0 CHEMBL386051,1 1.798,2 11.517,3 5.639,4 31.799,5 120.773,6 9.853,7 0.563,8 3.925,9 4.019,10 3.771,11 3.606,12 5.109,13 3.562,14 4.407,15 4.542,16 4.162,17 3.993,18 5.588,19 3.932,20 4.606,21 4.736,22 4.319,23 4.134,24 5.827,25 4.071,26 4.7,27 4.859,28 4.382,29 4.114,30 5.972,31 4.039,32 4.663,33 4.826,34 4.251,35 4.029,36 5.964,37 3.963,38 4.617,39 4.812,40 4.146,41 3.951,42 5.833,43 3.877,44 4.534,45 4.731,46 3.974,47 3.865,48 5.693,49 3.748,50 4.302,51 4.512,52 3.657,53 3.654,54 5.367,55 3.54,56 0.062,57 0.634,58 4.901,59 3.483,60 5.832,61 3.942,62 0.276,63 1.063,64 15.091,65 6.695,66 15.962,67 7.366,68 0.221,69 1.204,70 18.348,71 7.991,72 22.414,73 8.664,74 0.529,75 1.319,76 26.419,77 8.739,78 55.763,79 9.068,80 0.52,81 1.234,82 26.674,83 8.87,84 54.382,85 9.532,86 0.468,87 1.253,88 20.133,89 7.782,90 48.556,91 8.535,92 0.517,93 1.032,94 30.247,95 8.419,96 52.307,97 9.549,98 0.234,99 0.934,100 15.167,101 6.238,102 23.228,103 7.134,104 27,105 46,106 0.306,107 0.663,108 0.793,109 0.86,110 0.867,111 0.867,112 3.408,113 1.001,114 -6.15,115 -6,116 -5.57,119 46.7,124 2,135 1,136 1,142 7,143 2,144 4,145 1,147 1,150 1,158 1,172 7,174 3,175 5,178 2,180 2,183 14,188 6,193 1,196 10,199 2,200 7,203 1,205 3,208 9,213 12,218 1,221 5,224 1,225 8,228 1,230 1,233 3,238 9,243 1,246 3,250 6,258 5,264 1,269 4,272 5,276 1246,277 19.524,278 19.524,279 19.524,280 19.524,281 19.524,282 17.033,283 23.154,284 11.236,285 20.289,286 15.691,287 15.691,288 15.691,289 15.691,290 15.691,291 11.815,292 34.898,293 5.237,294 16.867,295 3.694,296 1.593,297 0.826,298 0.434,299 0.389,300 0.389,301 4.103,302 2,306 1,307 722,308 2.739,312 329.857,316 122.501,319 2.017,320 28.142,323 0.75,324 0.83,325 1,326 0.4,328 1,329 1,330 0.71,331 61.667,332 334,333 4.617,334 4.328,335 6.941,336 4.258,337 3.291,338 4.242,339 2.95,340 11.619,341 3.179,342 4.313,343 3.774,344 6.527,345 3.892,346 2.96,347 3.954,348 1.2,349 10.134,350 2.743,351 4.085,352 3.302,353 5.799,354 3.67,355 2.723,356 3.675,357 0.4,358 8.007,359 2.573,360 3.83,361 2.961,362 5.644,363 3.395,364 2.452,365 3.239,366 0.293,367 7.49,368 2.3,369 3.507,370 2.726,371 5.26,372 3.132,373 2.187,374 2.79,376 6.636,377 2.041,378 3.335,379 2.623,380 5.209,381 2.937,382 1.988,383 2.508,385 6.011,386 1.865,387 3.232,388 2.463,389 4.841,390 2.779,391 1.879,392 2.481,394 5.36,395 1.701,396 3.221,397 2.171,398 4.805,399 2.707,400 1.851,401 2.468,403 5.104,404 1.441,405 2.811,406 2.065,407 4.159,408 2.327,409 1.336,410 1.93,412 3.353,413 1.317,414 2.676,415 1.677,416 3.729,417 2.193,418 1.212,419 1.756,421 2.636,422 1.184,423 2.523,424 1.295,425 3.498,426 1.94,427 1.006,428 1.454,430 2.513,431 0.924,432 1.871,433 1.271,434 3.206,435 1.375,436 0.432,437 0.504,439 0.889,440 0.358,441 1.584,442 1.028,443 3.067,444 1.228,445 0.378,446 0.483,448 0.726,449 0.335,450 1.498,451 0.622,452 2.834,453 1.179,454 0.267,455 0.315,457 0.611,458 0.232,459 1.219,460 0.484,461 2.673,462 0.785,463 -0.114,464 -0.145,466 -0.309,467 -0.091,468 14.695,469 0.507,470 0.784,471 0.027,472 41.5,473 1.431,474 22.5,475 0.776,476 19,477 0.655,478 23.796,479 0.821,480 29.105,481 0.647,482 30.981,483 1.068,484 7.908,485 0.273,486 6.066,487 0.209,488 0.188,490 0.367,496 0.672,497 1.185,498 0.554,499 0.775,500 0.588,501 0.759,502 0.627,503 0.845,504 0.771,505 0.835,506 0.563,507 0.74,508 1.049,509 1.286,510 0.929,511 1.026,512 0.93,513 0.963,514 1.303,515 1.02,516 0.912,517 0.872,518 1.473,519 0.933,520 1.013,521 1.226,522 1.027,523 1.151,524 1.016,525 1.07,526 1.178,527 1.023,528 0.734,529 0.735,530 1.191,531 0.849,532 1.149,533 0.929,534 1.288,535 1.066,536 1.056,537 1.081,538 0.857,539 1.031,540 0.736,541 0.938,542 0.769,543 1.023,544 6,545 0.161,546 3.333,547 2.688,548 2.244,549 1.222,550 0.829,551 0.382,552 0.361,553 0.192,554 10610,555 35161,556 2.07,557 35.6,559 14,561 1,562 1,567 1.719,568 1.912,569 3.449,570 -0.302,577 80.895,578 1.798,579 3.899,580 4.666,581 5.058,582 5.103,583 5.103,584 2.935,585 4.323,586 4.826,587 3.639,588 1477.32,589 8.404,590 19614.2,595 247.133,596 1.487,597 4.777,598 0.188,599 0.009,600 0.072,601 0.053,602 0.048,603 0.028,604 0.021,605 0.012,606 0.014,607 0.009,608 0.454,609 0.17,610 0.88,611 0.772,612 146.72,613 -0.055,614 -0.137,615 0.018,616 0.004,617 -0.088,618 0.01,619 0.142,620 0.242,621 -0.004,622 0.08,623 0.068,624 0.113,625 -0.122,626 -0.271,627 -0.081,628 -0.148,629 -0.034,630 -0.105,631 -0.065,632 0.005,633 0.016,634 0.016,635 -0.101,636 -0.048,637 0.129,638 -0.225,639 -0.073,640 -0.247,641 0.168,642 -0.154,643 -0.067,644 0.032,645 0.069,646 0.134,647 -0.024,648 0.073,649 -0.026,650 0.026,651 -0.147,652 -0.104,653 -0.058,654 -0.072,655 -0.097,656 0.009,657 -0.001,658 -0.004,659 -0.055,660 -0.04,661 1.901,662 6.003,663 0.759,664 29.757,665 1.014,666 1.109,667 4.922,668 24.223,669 0.759,670 3.497,671 3.85,672 4.159,673 4.443,674 4.7,675 4.779,676 4.913,677 5.081,678 5.215,679 5.263,680 6.704,681 0.718,682 443.38,683 3.497,684 5.056,685 5.927,686 6.823,687 7.71,688 8.612,689 9.506,690 10.412,691 11.31,692 12.218,693 8.9,700 1,701 1,703 2,709 8,710 2,714 8,716 18,728 1,734 2,735 45,737 20,738 2,739 32,741 48,742 21,743 16,744 5,745 7,746 3,748 4,749 5,750 2,762 19,763 2,767 2,772 1,774 1,776 2,783 16,784 5,785 1,786 8,787 3,792 4,797 0.75,798 1,810 1,816 4,820 1,830 1,834 1,835 1,843 3,844 1,845 1,847 2,848 2,851 29,860 1,862 1,864 1,873 2,874 2.2,877 1,881 15.167,882 8.969,883 6.361,884 2.47,886 3.639,887 1.464,888 1.011,889 5.724,890 11.479,891 3.784,892 4.413,893 5.019,894 5.598,895 6.156,896 6.41,897 6.799,898 7.269,899 7.684,900 8.015,901 0.875,902 51,903 10.684,905 4.586,906 7.784,907 20.121,909 16.406,911 2.284,912 66.222,916 176.567,917 162.461,918 54.706,919 78.297,920 25.145,922 32.22,923 130.241,924 280.009,925 54.706,926 15.587,927 3.124,928 75.81,929 75.192,930 47.924,931 4.227,932 197.015,933 78.297,934 176.567,935 184.947,936 25.145,937 110.517,939 176.567,940 25.145,943 32.082,944 109.818,945 121.345,946 32.22,947 176.567,948 79.851,949 240.758,952 176.567,953 62.017,954 103.568,955 18.011,956 137.013,957 176.567,958 79.851,959 240.758,961 0.588,962 0.359,963 0.195,964 0.107,965 23,966 11,967 0.083,968 4,969 1,970 1.091,971 3.948,972 263.768,973 0.091,974 22,975 134.881,977 1,981 20.081,982 8.267,983 3.951,985 79.851,986 14.78,987 8.932,991 4.986,993 18.011,994 497.176,995 43,1000 13.003,1002 1.725,1004 0.175,1007 45.644,1008 49.917,1009 0.327,1010 0.71,1011 0.85,1012 0.921,1013 0.929,1014 0.929,1015 5.034,1016 1.851,1017 5.932,1018 5.36,1019 4.533,1020 5.1,1021 3.073,1022 6.783,1023 4.401,1024 6.263,1025 1.336,1026 7.52,1027 5.104,1028 4.205,1029 4.934,1030 0.325,1031 7.756,1032 3.979,1033 7.586,1034 1.212,1035 9.207,1036 3.353,1037 6.168,1038 7.308,1039 5.05,1040 10.892,1041 5.941,1042 8.943,1043 1.006,1044 10.952,1045 2.636,1046 6.635,1047 7.913,1048 0.653,1049 12.685,1050 6.329,1051 10.329,1052 0.432,1053 12.734,1054 2.513,1055 8.09,1056 9.779,1057 7.188,1058 15.363,1059 7.78,1060 11.737,1061 0.378,1062 14.542,1063 0.889,1064 8.927,1065 10.761,1066 1.001,1067 17.514,1068 8.555,1069 13.162,1070 0.267,1071 16.371,1072 0.726,1073 10.19,1074 12.401,1075 9.348,1076 20.034,1077 9.803,1078 3.291,1079 -0.114,1080 18.216,1081 0.611,1082 11.202,1083 13.583,1084 1.37,1085 22.344,1086 10.767,1087 2.96,1088 11.619,1089 20.074,1090 -0.309,1091 12.394,1092 15.113,1093 11.511,1094 24.808,1095 11.937,1096 2.723,1097 10.134,1098 21.944,1099 4.242,1100 13.489,1101 16.404,1102 1.754,1103 27.188,1104 12.992,1105 2.452,1106 8.007,1107 23.822,1108 3.954,1109 14.658,1110 17.878,1111 13.675,1112 29.633,1113 14.135,1114 2.187,1115 7.49,1116 25.708,1117 3.675,1118 15.791,1119 19.228,1120 2.143,1121 32.045,1122 15.234,1123 1.988,1124 6.636,1125 27.6,1126 3.239,1127 16.956,1128 20.676,1129 15.838,1130 34.485,1131 16.372,1132 1.879,1133 6.011,1134 29.498,1135 2.79,1136 18.11,1137 22.059,1138 2.535,1139 36.913,1140 17.494,1141 10153,1142 18655,1143 21.096,1144 34.171,1145 48.581,1146 53.001,1147 50.616,1148 48.211,1149 47.929,1150 63.599,1151 9.686,1152 142.178,1153 44.386,1154 5.512,1155 6.328,1156 6.533,1157 5.334,1158 5.291,1159 7.242,1160 5.9,1161 19.318,1162 5.179,1163 15.487,1164 1.518,1165 1.656,1166 1.582,1167 1.507,1168 1.498,1169 1.987,1170 0.303,1171 4.443,1172 1.387,1173 4.041,1174 4.07,1175 4.135,1176 3.963,1177 7.428,1178 3.964,1179 3.902,1180 3.926,1181 4.008,1182 3.863,1183 5.042,1184 3.841,1185 3.813,1186 3.842,1187 3.883,1188 3.718,1189 4.973,1190 3.725,1191 3.457,1192 3.509,1193 3.582,1194 3.269,1195 4.712,1196 3.287,1197 3.221,1198 3.295,1199 3.523,1200 3.176,1201 4.632,1202 3.069,1203 3.195,1204 3.268,1205 3.378,1206 3.008,1207 4.222,1208 3.007,1209 2.999,1210 3.062,1211 3.074,1212 2.849,1213 4.115,1214 2.841,1215 2.901,1216 2.918,1217 3.038,1218 2.839,1219 4.045,1220 2.815,1221 0.144,1222 0.135,1223 0.217,1224 0.133,1225 0.103,1226 4.617,1227 0.133,1228 4.328,1229 0.092,1230 6.941,1231 0.363,1232 4.258,1233 0.099,1234 3.291,1235 4.242,1236 2.95,1237 11.619,1238 3.179,1239 1.967,1240 1.95,1241 2.012,1242 2.082,1243 1.162,1244 2.063,1245 1.888,1246 1.865,1247 1.968,1248 1.963,1249 1.091,1250 1.977,1251 1.773,1252 1.743,1253 1.85,1254 1.878,1255 0.943,1256 1.885,1257 1.361,1258 1.314,1259 1.581,1260 1.608,1261 0.654,1262 1.595,1263 1.226,1264 1.165,1265 1.52,1266 1.42,1267 0.626,1268 1.493,1269 1.196,1270 1.113,1271 1.407,1272 1.393,1273 0.437,1274 1.422,1275 0.964,1276 0.906,1277 1.175,1278 1.177,1279 0.241,1280 1.178,1281 0.849,1282 0.827,1283 1.05,1284 0.967,1285 0.159,1286 1.007,1287 4.174,1289 5.517,1291 7.069,1293 8.718,1295 10.418,1297 3.689,1298 12.608,1305 3.189,1307 1.654,1309 1.482,1314 32.33,1315 80.895,1316 175.443,1317 209.972,1318 227.624,1319 229.624,1320 229.624,1321 50.48,1322 7.84,1323 59.81,1324 85.11,1325 24,1326 12.736,1327 4.392,1328 3.585,1329 44.793,1330 118,1331 124,1332 0.191,1333 209.405,1334 362.4,1335 502.708,1336 27269,1337 4.4,1338 20.543,1339 0.708,1340 0.619,1341 21.897,1342 17.939,1343 13.974,1344 0.437,1345 0.334,1346 8.775,1347 12.522,1348 8.311,1349 6.9,1350 15.109,1351 10.68,1352 12.726,1353 0.277,1354 0.175,1355 13.961,1356 8.042,1357 11.175,1358 0.177,1359 0.093,1360 12.322,1361 5.862,1362 9.372,1363 0.112,1364 0.049,1365 10.575,1366 4.132,1367 7.674,1368 0.07,1369 0.024,1370 8.449,1371 2.63,1372 0.299,1373 98.239,1374 0.218,1375 27.412,1376 0.528,1377 156,1378 468.271,1379 216.66,1380 541.191,1381 723.27,1382 504,1383 187,1384 477.78,1385 235.267,1386 519.435,1387 763.4,1388 486,1389 5.824}
{0 CHEMBL387971,1 1.606,2 16.118,3 3.853,4 14.843,5 138.642,6 7.688,7 0.421,8 4.233,9 4.344,10 3.873,11 3.795,12 5.281,13 3.759,14 4.805,15 4.983,16 4.211,17 4.198,18 5.777,19 4.145,20 4.944,21 5.128,22 4.211,23 4.309,24 5.935,25 4.219,26 5.083,27 5.329,28 4.2,29 4.312,30 6.029,31 4.191,32 5.009,33 5.253,34 4.166,35 4.228,36 5.96,37 4.114,38 4.771,39 4.948,40 4.084,41 4.141,42 5.83,43 4.037,44 4.78,45 5.005,46 4.005,47 4.12,48 5.715,49 3.996,50 4.724,51 4.904,52 3.998,53 4.065,54 5.762,55 3.952,56 0.04,57 0.917,58 13.044,59 5.977,60 9.078,61 7.415,62 0.365,63 1.52,64 28.145,65 9.836,66 27.231,67 12.162,68 0.342,69 1.719,70 30.665,71 12.191,72 31.041,73 15.876,74 0.345,75 1.878,76 38.591,77 14.312,78 49.935,79 19.772,80 0.447,81 1.736,82 40.969,83 13.445,84 52.742,85 17.318,86 0.257,87 1.413,88 27.011,89 10.839,90 40.833,91 13.582,92 0.196,93 1.431,94 29.492,95 11.496,96 30.416,97 14.911,98 0.285,99 1.371,100 29.153,101 10.672,102 37.494,103 12.901,104 17,105 53,106 0.256,107 0.591,108 0.787,109 0.823,110 0.854,111 0.854,112 3.56,113 0.974,114 -3.23,115 -3.22,116 -3.09,119 41.9,124 2,125 8,141 2,142 4,143 5,146 1,151 1,152 2,157 1,168 1,172 8,175 6,180 2,183 13,187 2,188 8,193 2,196 9,199 1,200 8,203 1,205 3,208 6,213 9,218 3,221 5,224 1,225 7,230 2,233 7,237 1,238 4,246 6,250 6,253 2,258 6,263 2,264 3,272 4,276 2414,277 23.507,278 23.507,279 23.507,280 23.507,281 23.507,282 21.366,283 22.157,284 14.164,285 24.312,286 18.775,287 18.775,288 18.775,289 18.775,290 18.775,291 15.323,292 24.611,293 6.787,294 19.912,295 4.348,296 2.254,297 1.024,298 0.799,299 0.605,300 0.605,301 4.269,306 1,307 1196,308 3.674,311 223.626,312 192.257,314 109.62,315 122.176,318 168.564,319 2.785,320 28.342,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 73,332 548,333 4.769,334 3.728,335 7.165,336 4.42,337 3.422,338 4.507,339 1.419,340 12.541,341 3.416,342 4.29,343 3.079,344 6.356,345 3.853,346 2.881,347 3.931,348 0.916,349 9.67,350 2.802,351 4.039,352 3.042,353 5.716,354 3.623,355 2.683,356 3.557,357 0.86,358 7.885,359 2.532,360 3.787,361 2.827,362 5.587,363 3.417,364 2.475,365 3.012,366 0.8,367 7.379,368 2.319,369 3.585,370 2.743,371 5.53,372 3.219,373 2.269,374 2.737,375 0.172,376 6.907,377 2.144,378 3.469,379 2.65,380 5.201,381 3.108,382 2.094,383 2.631,385 6.358,386 2.118,387 3.402,388 2.515,389 5.084,390 2.914,391 1.976,392 2.494,394 5.863,395 1.849,396 3.054,397 2.249,398 4.788,399 2.76,400 1.851,401 2.062,403 5.307,404 1.7,405 2.934,406 2.185,407 4.164,408 2.656,409 1.718,410 1.964,412 3.671,413 1.566,414 2.753,415 1.873,416 3.887,417 2.318,418 1.408,419 1.708,421 3.188,422 1.27,423 2.613,424 1.564,425 3.827,426 2.129,427 1.148,428 1.639,430 2.842,431 1.123,432 2.424,433 1.343,434 3.457,435 1.969,436 1.037,437 1.376,439 2.574,440 0.965,441 2.228,442 1.146,443 3.414,444 1.967,445 1,446 1.069,448 2.275,449 0.958,450 2.136,451 1.094,452 3.404,453 1.693,454 0.784,455 1,457 1.746,458 0.694,459 2.125,460 1.032,461 3.267,462 1.605,463 0.685,464 0.917,466 1.492,467 0.615,468 16.433,469 0.483,470 0.709,471 0.021,472 39.75,473 1.169,474 17.5,475 0.515,476 22.25,477 0.654,478 31.975,479 0.94,480 36.367,481 0.587,482 31.036,483 0.913,484 8.02,485 0.236,486 8.615,487 0.253,488 0.081,490 0.323,496 0.785,497 1.248,498 0.746,499 1.022,500 0.586,501 0.949,502 1.464,503 0.836,504 0.95,505 0.696,506 0.83,507 0.722,508 0.843,509 1.091,510 0.935,511 1.017,512 0.808,513 1.067,514 0.572,515 1.009,516 0.7,517 0.899,518 0.796,519 0.911,520 1.046,521 0.845,522 0.954,523 0.871,524 1.107,525 0.777,526 0.96,527 1.143,528 0.966,529 1.101,530 1.619,531 1.114,532 0.597,533 0.936,534 0.892,535 0.969,536 0.712,537 0.91,538 0.985,539 1.191,540 1.306,541 1.333,542 1.548,543 1.19,544 5.5,545 0.191,546 3.111,547 2.326,548 1.746,549 0.99,550 0.688,551 0.6,552 0.329,553 0.293,554 18978,555 47273,556 2.145,557 45.2,559 26,560 1,562 1,567 1.756,568 2.04,569 3.911,570 -0.363,577 99.588,578 1.606,579 3.701,580 4.93,581 5.156,582 5.349,583 5.349,584 3.47,585 4.771,586 5.041,587 4.078,588 2287.97,589 8.832,590 36333.8,595 369.16,596 1.286,597 5.033,598 0.145,599 0.006,600 0.059,601 0.045,602 0.036,603 0.022,604 0.016,605 0.015,606 0.009,607 0.009,608 0.36,609 0.33,610 0.75,611 1.506,612 185.573,613 0.026,614 -0.103,615 0.083,616 -0.03,617 0.017,618 0.001,619 -0.266,620 0.263,621 0.01,622 0.268,623 -0.072,624 0.203,625 0.017,626 -0.052,627 -0.081,628 -0.069,629 0.054,630 -0.101,631 0.148,632 -0.054,633 0.189,634 0.042,635 0.187,636 0.095,637 -0.052,638 0.137,639 0.151,640 0.169,641 0.021,642 0.224,643 -0.02,644 -0.13,645 -0.023,646 -0.085,647 -0.113,648 -0.128,649 0.057,650 0.059,651 0.118,652 0.08,653 0.074,654 0.117,655 -0.006,656 -0.134,657 -0.166,658 -0.216,659 -0.116,660 -0.197,661 1.626,662 6.403,663 0.676,664 53.176,665 1.001,666 1.121,667 2,668 4.001,669 0.68,670 3.664,671 3.989,672 4.304,673 4.635,674 4.875,675 5.05,676 5.283,677 5.476,678 5.628,679 5.784,680 8.721,681 0.641,682 476.65,683 3.664,684 5.209,685 6.075,686 6.969,687 7.863,688 8.772,689 9.683,690 10.604,691 11.527,692 12.456,693 6.5,696 2,701 1,703 1,709 5,710 1,711 1,713 1,714 8,716 16,721 1,735 62,737 18,738 1,739 38,741 66,742 26,743 13,744 3,745 3,746 1,748 5,749 8,761 2,762 14,763 10,767 1,772 1,776 1,783 28,784 6,785 1,786 8,787 1,792 4,797 0.6,798 3,807 1,815 3,816 2,818 1,819 1,822 1,823 2,839 2,842 2,843 3,845 1,847 2,851 34,858 8,861 2,864 2,866 1,869 1,872 2,874 4.8,877 1,878 2,881 16.667,882 11.933,883 7.528,884 3.675,886 3.915,887 1.448,888 1.001,889 7.122,890 12.65,891 3.912,892 4.477,893 5.109,894 5.749,895 6.25,896 6.737,897 7.239,898 7.71,899 8.128,900 8.518,901 1,902 52,903 12.609,905 5.357,906 7.598,907 24.528,909 20.336,911 2.098,912 71.333,916 317.82,917 182.411,918 39.575,920 47.145,922 31.278,923 151.134,924 364.964,925 39.575,926 19.279,927 24.306,928 45.554,929 68.941,930 41.596,931 49.947,932 337.326,934 317.82,935 190.708,936 47.145,937 31.278,939 317.82,940 25.145,941 22,943 49.974,944 90.01,945 50.724,946 31.278,947 317.82,948 86.719,949 182.411,952 317.82,953 83.517,954 71.082,955 50.724,956 63.808,957 317.82,958 86.719,959 182.411,961 0.573,962 0.333,963 0.184,964 0.1,965 26,966 11,967 0.106,968 7,969 2,970 1.174,971 4.664,972 318.869,973 0.174,974 23,975 168.974,977 1,981 23.258,982 10.412,983 4.993,985 70.056,986 10.23,987 4.507,988 3.088,990 1.547,991 6.855,993 16.663,994 586.95,995 49,1000 13.403,1004 0.041,1007 62.069,1008 69.524,1009 0.27,1010 0.622,1011 0.828,1012 0.866,1013 0.898,1014 0.898,1015 5.17,1016 1.851,1017 6.052,1018 5.863,1019 4.673,1020 5.165,1021 2.194,1022 6.889,1023 4.584,1024 6.37,1025 1.718,1026 7.617,1027 5.307,1028 4.205,1029 4.89,1030 0.57,1031 7.84,1032 4.126,1033 7.68,1034 1.408,1035 9.288,1036 3.671,1037 6.275,1038 7.337,1039 2.452,1040 11.013,1041 6.142,1042 9.03,1043 1.148,1044 11.024,1045 3.188,1046 6.698,1047 7.992,1048 0.581,1049 12.89,1050 6.593,1051 10.419,1052 1.037,1053 12.806,1054 2.842,1055 8.202,1056 9.853,1057 2.949,1058 15.598,1059 8.062,1060 11.836,1061 1,1062 14.621,1063 2.574,1064 9.048,1065 10.945,1066 0.515,1067 17.864,1068 8.938,1069 13.276,1070 0.784,1071 16.462,1072 2.275,1073 10.344,1074 12.575,1075 3.559,1076 20.436,1077 10.218,1078 3.422,1079 0.685,1080 18.324,1081 1.746,1082 11.391,1083 13.876,1084 0.441,1085 22.859,1086 11.288,1087 2.881,1088 12.541,1089 20.203,1090 1.492,1091 12.617,1092 15.414,1093 4.22,1094 25.393,1095 12.512,1096 2.683,1097 9.67,1098 22.096,1099 4.507,1100 13.756,1101 16.814,1102 0.373,1103 27.877,1104 13.666,1105 2.475,1106 7.885,1107 24.001,1108 3.931,1109 14.966,1110 18.318,1111 4.902,1112 30.403,1113 14.878,1114 2.269,1115 7.379,1116 25.916,1117 3.557,1118 16.148,1119 19.766,1120 0.314,1121 32.912,1122 16.07,1123 2.094,1124 6.907,1125 27.839,1126 3.012,1127 17.358,1128 21.259,1129 5.594,1130 35.436,1131 17.284,1132 1.976,1133 6.358,1134 29.77,1135 2.737,1136 18.56,1137 22.73,1138 0.264,1139 37.956,1140 18.493,1141 17932,1142 28505,1143 25.948,1144 42.171,1145 58.247,1146 58.557,1147 58.59,1148 56.611,1149 56.699,1150 71.732,1151 8.335,1152 163.694,1153 53.826,1154 5.769,1155 5.728,1156 7.129,1157 5.526,1158 5.422,1159 7.507,1160 2.837,1161 20.255,1162 5.416,1163 14.288,1164 1.533,1165 1.541,1166 1.542,1167 1.49,1168 1.492,1169 1.888,1170 0.219,1171 4.308,1172 1.416,1173 4.137,1174 4.162,1175 4.261,1176 4.074,1177 7.427,1178 4.07,1179 3.891,1180 3.938,1181 4.049,1182 3.903,1183 5.02,1184 3.848,1185 3.824,1186 3.86,1187 3.745,1188 3.647,1189 4.855,1190 3.656,1191 3.651,1192 3.693,1193 3.592,1194 3.506,1195 4.668,1196 3.512,1197 3.582,1198 3.62,1199 3.5,1200 3.38,1201 4.608,1202 3.386,1203 3.356,1204 3.402,1205 3.259,1206 3.204,1207 4.454,1208 3.202,1209 3.262,1210 3.351,1211 3.159,1212 3.025,1213 4.37,1214 3.028,1215 3.116,1216 3.206,1217 3.032,1218 2.941,1219 4.168,1220 2.918,1221 0.125,1222 0.098,1223 0.189,1224 0.116,1225 0.09,1226 4.769,1227 0.119,1228 3.728,1229 0.037,1230 7.165,1231 0.33,1232 4.42,1233 0.09,1234 3.422,1235 4.507,1236 1.419,1237 12.541,1238 3.416,1239 1.927,1240 1.902,1241 2.044,1242 2.051,1243 1.324,1244 2.053,1245 1.75,1246 1.683,1247 1.939,1248 1.934,1249 1.145,1250 1.938,1251 1.696,1252 1.676,1253 1.804,1254 1.829,1255 0.997,1256 1.82,1257 1.597,1258 1.588,1259 1.745,1260 1.782,1261 0.927,1262 1.77,1263 1.463,1264 1.428,1265 1.613,1266 1.618,1267 0.825,1268 1.632,1269 1.341,1270 1.308,1271 1.576,1272 1.566,1273 0.735,1274 1.559,1275 1.258,1276 1.199,1277 1.513,1278 1.51,1279 0.709,1280 1.485,1281 1.161,1282 1.121,1283 1.489,1284 1.408,1285 0.572,1286 1.443,1287 4.344,1289 5.666,1290 3.434,1291 7.175,1292 5.861,1293 8.782,1294 8.021,1295 10.45,1297 3.803,1303 6.58,1306 10.34,1309 4.795,1313 6.145,1314 39.739,1315 99.588,1316 229.443,1317 305.65,1318 319.65,1319 331.65,1320 331.65,1321 54.414,1322 8.735,1323 70.69,1324 98.93,1325 27,1326 12.96,1327 4.248,1328 3.585,1329 50.331,1330 171,1331 237,1332 0.141,1333 244.227,1334 426.34,1335 587.674,1336 87255,1338 23.493,1339 0.691,1340 0.598,1341 23.847,1342 20.335,1343 16.635,1344 0.438,1345 0.325,1346 11.333,1347 15.435,1348 10.928,1349 9.012,1350 17.089,1351 12.335,1352 14.706,1353 0.277,1354 0.181,1355 15.283,1356 9.569,1357 12.674,1358 0.174,1359 0.098,1360 13.332,1361 7.131,1362 10.886,1363 0.107,1364 0.05,1365 11.587,1366 5.137,1367 8.887,1368 0.068,1369 0.027,1370 9.437,1371 3.56,1372 0.228,1373 109.355,1374 0.196,1375 32.145,1376 0.369,1377 182,1378 521.335,1379 218.75,1380 518.951,1381 708.76,1382 490,1383 217,1384 491.725,1385 251.758,1386 519.981,1387 764.78,1388 484,1389 5.1}
{0 CHEMBL392642,1 1.648,2 12.241,3 3.741,4 13.997,5 122.016,6 7.309,7 0.387,8 4.124,9 4.264,10 3.702,11 3.643,12 5.199,13 3.588,14 4.674,15 4.867,16 4,17 4.052,18 5.756,19 3.953,20 4.965,21 5.208,22 4.099,23 4.202,24 5.856,25 4.074,26 5.08,27 5.348,28 4.025,29 4.155,30 6.11,31 4.007,32 4.989,33 5.28,34 3.834,35 4.041,36 5.848,37 3.895,38 4.862,39 5.138,40 3.904,41 3.93,42 5.839,43 3.837,44 4.758,45 4.992,46 3.937,47 3.923,48 5.828,49 3.857,50 4.811,51 5.04,52 3.875,53 3.898,54 5.947,55 3.829,56 0.145,57 0.891,58 13.308,59 5.179,60 13.46,61 7.178,62 0.33,63 1.39,64 26.519,65 9.593,66 52.848,67 12.911,68 0.254,69 1.69,70 34.819,71 12.135,72 33.914,73 17.275,74 0.752,75 1.726,76 43.2,77 11.907,78 89.825,79 17.777,80 0.399,81 1.524,82 37.756,83 10.954,84 52.95,85 16.564,86 0.528,87 1.394,88 32.942,89 8.068,90 63.906,91 13.18,92 0.365,93 1.333,94 27.993,95 7.666,96 49.588,97 11.491,98 0.546,99 1.313,100 31.51,101 7.531,102 75.621,103 11.148,104 26,105 41,106 0.272,107 0.596,108 0.768,109 0.815,110 0.838,111 0.861,112 3.407,113 1.078,114 -5.29,115 -5.17,116 -4.84,119 35.1,121 4,122 2,124 1,125 3,142 4,143 1,144 2,145 1,147 1,150 1,163 1,164 1,165 1,166 2,172 10,174 2,178 3,180 3,183 12,185 1,187 2,191 1,193 5,196 7,198 2,199 4,200 3,203 3,204 1,205 7,208 1,210 2,213 5,216 1,218 3,223 1,225 13,228 2,230 2,238 12,242 1,243 3,245 1,250 10,255 5,258 1,264 8,266 1,267 1,269 2,272 3,276 1561,277 19.809,278 19.809,279 19.809,280 19.809,281 19.809,282 18.029,283 23.167,284 11.78,285 20.382,286 15.154,287 15.154,288 15.154,289 15.154,290 15.154,291 12.444,292 32.931,293 5.397,294 15.933,295 4.185,296 2.216,297 1.171,298 0.89,299 0.75,300 0.61,301 4.092,305 1,306 1,307 745,308 3.536,312 316.209,319 2.059,320 29.038,323 1,324 1,325 0.83,326 1,327 1,328 0.83,329 1,330 0.95,331 63,332 355,333 4.418,334 4.36,335 6.424,336 3.951,337 3.005,338 4.138,339 2.95,340 9.847,341 2.843,342 4.194,343 3.804,344 6.131,345 3.794,346 2.838,347 3.801,348 2.612,349 8.987,350 2.709,351 3.784,352 2.9,353 5.482,354 3.641,355 2.645,356 3.262,357 0.657,358 7.339,359 2.633,360 3.65,361 2.786,362 5.345,363 3.267,364 2.351,365 2.666,366 0.4,367 6.877,368 2.174,369 3.326,370 2.65,371 5.116,372 3.187,373 2.201,374 2.517,376 6.286,377 2.146,378 3.144,379 2.389,380 4.794,381 2.775,382 1.835,383 2.166,385 5.052,386 1.721,387 2.919,388 2.189,389 4.386,390 2.537,391 1.607,392 2.096,394 4.234,395 1.5,396 2.916,397 2.039,398 3.711,399 2.441,400 1.467,401 2.053,403 3.059,404 1.402,405 2.733,406 1.567,407 3.629,408 2.135,409 1.178,410 1.796,412 2.769,413 1.125,414 2,415 1.524,416 3.414,417 2,418 1,419 1,421 2.275,422 1,423 1.95,424 1,425 3.259,426 1.726,427 0.783,428 0.847,430 1.734,431 0.737,432 1.881,433 1,434 3.19,435 1.629,436 0.693,437 0.837,439 1.569,440 0.643,441 1.604,442 0.957,443 2.742,444 1.371,445 0.438,446 0.494,448 0.714,449 0.407,450 1.485,451 0.886,452 2.717,453 1.261,454 0.435,455 0.452,457 0.693,458 0.352,459 1.084,460 0.681,461 2.409,462 0.741,463 -0.194,464 -0.232,466 -0.431,467 -0.18,468 13.9,469 0.479,470 0.571,471 0.02,472 35,473 1.207,474 16.5,475 0.569,476 18.5,477 0.638,478 27.243,479 0.939,480 32.9,481 0.577,482 24.883,483 0.858,484 6.111,485 0.211,486 7.99,487 0.276,488 0.113,490 0.281,496 0.603,497 1.285,498 0.813,499 1.003,500 0.592,501 1.01,502 0.549,503 1.093,504 1.046,505 1.166,506 0.397,507 1.095,508 0.559,509 1.171,510 0.822,511 1.074,512 0.442,513 1.067,514 0.736,515 1.026,516 1.044,517 1.05,518 0.676,519 1.044,520 0.827,521 0.971,522 0.826,523 0.878,524 0.717,525 0.898,526 1.08,527 0.936,528 0.748,529 0.707,530 0.96,531 0.764,532 1.424,533 1.042,534 0.88,535 0.814,536 1.316,537 0.887,538 2.075,539 0.961,540 1.144,541 0.829,542 2.161,543 0.928,544 5.5,545 0.215,546 3.111,547 1.313,548 1.418,549 0.944,550 0.449,551 0.441,552 0.324,553 0.298,554 11025,555 28611,556 2.033,557 49.1,558 8,559 13,561 1,562 4,564 2,567 1.72,568 1.912,569 3.563,570 1.697,572 1,577 93.92,578 1.648,579 3.617,580 4.662,581 4.942,582 5.083,583 5.223,584 3.086,585 4.582,586 4.827,587 3.76,588 1526.45,589 8.412,590 21568.8,592 1,595 332.475,596 1.358,597 4.792,598 0.177,599 0.008,600 0.076,601 0.031,602 0.038,603 0.029,604 0.013,605 0.012,606 0.01,607 0.01,608 0.404,610 1,611 0.9,612 149.455,613 0.135,614 0.013,615 0.06,616 0.086,617 0.003,618 0.039,619 0.194,620 0.076,621 -0.052,622 -0.05,623 0.234,624 -0.049,625 0.104,626 -0.142,627 0.072,628 -0.075,629 0.085,630 -0.043,631 0.212,632 -0.039,633 -0.038,634 -0.09,635 0.144,636 -0.083,637 -0.004,638 -0.056,639 0.07,640 0.018,641 -0.014,642 0.071,643 -0.009,644 0.024,645 0.137,646 0.132,647 -0.034,648 0.158,649 -0.192,650 0.009,651 0.003,652 0.054,653 -0.138,654 0.035,655 -0.426,656 0.055,657 -0.173,658 0.043,659 -0.349,660 -0.041,661 2.444,662 4.377,663 0.621,664 31.201,665 1.001,666 1.139,667 4.057,668 16.46,669 0.649,670 3.466,671 3.738,672 3.97,673 4.143,674 4.331,675 4.331,676 4.369,677 4.419,678 4.605,679 4.718,680 7.296,681 0.606,682 416.61,683 3.466,684 4.977,685 5.802,686 6.648,687 7.487,688 8.336,689 9.18,690 10.031,691 10.877,692 11.73,693 10.5,694 1,698 2,703 2,704 1,709 5,710 2,714 5,716 12,728 2,729 1,735 57,737 14,738 1,739 31,741 59,742 20,743 10,744 2,745 4,748 3,749 3,754 1,757 4,758 2,760 4,762 10,763 10,764 2,767 2,769 1,772 2,780 1,783 28,784 7,785 4,786 9,787 1,792 6,797 1,798 2,810 1,816 3,836 1,843 3,844 1,845 1,847 1,851 29,852 1,858 7,860 2,862 1,863 2,874 3.5,880 2,881 15.167,882 10.017,883 6.667,884 3.417,886 2.309,887 1.318,888 0.95,889 8.101,890 9.567,891 3.689,892 4.205,893 4.673,894 5.131,895 5.58,896 5.686,897 5.867,898 6.006,899 6.444,900 6.79,901 1,902 43,903 10.743,905 4.481,906 7.787,907 20.684,909 16.899,911 2.287,912 66.333,915 1,916 282.506,917 114.538,918 108.16,920 50.747,922 32.22,923 82.318,924 333.253,925 108.16,926 12.86,927 49.352,928 37.905,929 81.364,930 16.54,931 4.227,932 302.955,933 50.747,934 282.506,935 190.478,936 50.747,937 32.22,939 258.964,940 23.542,941 50.747,943 60.299,944 54.916,945 75.263,946 32.22,947 282.506,948 158.907,949 114.538,952 282.506,953 60.395,954 59.813,955 36.022,956 117.215,957 282.506,958 158.907,959 114.538,961 0.567,962 0.335,963 0.172,964 0.09,965 17,966 8,967 0.153,968 9,970 1,971 4.105,972 237.894,974 18,975 134.881,977 1,981 21.817,982 10.768,983 6.048,985 153.237,986 9.357,987 8.501,991 2.852,993 68.919,994 555.951,995 39,997 -0.444,1000 22.755,1007 57.061,1008 64.896,1009 0.282,1010 0.62,1011 0.799,1012 0.847,1013 0.871,1014 0.895,1015 4.905,1016 1.467,1017 5.759,1018 4.234,1019 4.419,1020 4.89,1021 3.427,1022 6.509,1023 4.327,1024 6.067,1025 1.178,1026 7.284,1027 3.059,1028 3.892,1029 4.649,1030 2.361,1031 7.326,1032 3.767,1033 7.349,1034 1,1035 8.907,1036 2.769,1037 5.958,1038 6.992,1039 5.373,1040 10.351,1041 5.785,1042 8.665,1043 0.783,1044 10.588,1045 2.275,1046 6.256,1047 7.587,1048 4.506,1049 11.991,1050 6.036,1051 10.014,1052 0.693,1053 12.307,1054 1.734,1055 7.757,1056 9.412,1057 7.439,1058 14.519,1059 7.502,1060 11.386,1061 0.438,1062 14.052,1063 1.569,1064 8.441,1065 10.396,1066 6.556,1067 16.504,1068 8.132,1069 12.775,1070 0.435,1071 15.815,1072 0.714,1073 9.702,1074 12.006,1075 9.539,1076 18.861,1077 9.359,1078 3.005,1079 -0.194,1080 17.592,1081 0.693,1082 10.579,1083 13.184,1084 8.548,1085 21,1086 10.178,1087 2.838,1088 9.847,1089 19.38,1090 -0.431,1091 11.732,1092 14.693,1093 11.658,1094 23.295,1095 11.294,1096 2.645,1097 8.987,1098 21.178,1099 4.138,1100 12.706,1101 15.972,1102 10.509,1103 25.503,1104 12.209,1105 2.351,1106 7.339,1107 22.983,1108 3.801,1109 13.812,1110 17.43,1111 13.789,1112 27.779,1113 13.273,1114 2.201,1115 6.877,1116 24.795,1117 3.262,1118 14.836,1119 18.764,1120 12.452,1121 30.018,1122 14.239,1123 1.835,1124 6.286,1125 26.612,1126 2.666,1127 15.922,1128 20.196,1129 15.928,1130 32.289,1131 15.278,1132 1.607,1133 5.052,1134 28.433,1135 2.517,1136 16.973,1137 21.562,1138 14.386,1139 34.545,1140 16.27,1141 10810,1142 17669,1143 20.572,1144 36.966,1145 44.782,1146 49.218,1147 46.615,1148 44.875,1149 44.952,1150 56.25,1151 13.239,1152 122.867,1153 42.78,1154 5.418,1155 6.36,1156 6.121,1157 5.024,1158 5.005,1159 7.138,1160 5.9,1161 16.422,1162 4.843,1163 14.551,1164 1.445,1165 1.588,1166 1.504,1167 1.448,1168 1.45,1169 1.815,1170 0.427,1171 3.963,1172 1.38,1173 4.005,1174 4.053,1175 4.029,1176 3.902,1177 7.815,1178 3.883,1179 3.901,1180 3.944,1181 3.94,1182 3.816,1183 6.999,1184 3.807,1185 3.88,1186 3.917,1187 3.766,1188 3.69,1189 5.009,1190 3.723,1191 3.502,1192 3.566,1193 3.502,1194 3.286,1195 4.975,1196 3.281,1197 3.462,1198 3.535,1199 3.437,1200 3.189,1201 4.717,1202 3.18,1203 3.218,1204 3.307,1205 3.314,1206 3.138,1207 4.31,1208 3.062,1209 3.208,1210 3.279,1211 3.078,1212 2.941,1213 4.096,1214 2.936,1215 3.111,1216 3.206,1217 2.924,1218 2.867,1219 4.017,1220 2.91,1221 0.143,1222 0.141,1223 0.207,1224 0.127,1225 0.097,1226 4.418,1227 0.133,1228 4.36,1229 0.095,1230 6.424,1231 0.318,1232 3.951,1233 0.092,1234 3.005,1235 4.138,1236 2.95,1237 9.847,1238 2.843,1239 1.923,1240 1.891,1241 2.124,1242 2.101,1243 1.537,1244 2.09,1245 1.909,1246 1.866,1247 2.008,1248 2.036,1249 1.177,1250 2.023,1251 1.785,1252 1.742,1253 1.851,1254 1.968,1255 1.062,1256 1.965,1257 1.454,1258 1.379,1259 1.707,1260 1.71,1261 0.83,1262 1.707,1263 1.302,1264 1.234,1265 1.527,1266 1.663,1267 0.825,1268 1.597,1269 1.226,1270 1.166,1271 1.52,1272 1.467,1273 0.684,1274 1.493,1275 1.153,1276 1.064,1277 1.513,1278 1.407,1279 0.641,1280 1.461,1281 1.103,1282 1.007,1283 1.433,1284 1.376,1285 0.567,1286 1.429,1287 4.143,1289 5.425,1291 6.907,1293 8.475,1295 10.086,1297 2.032,1301 5.756,1303 6.384,1305 6.372,1307 1.675,1308 1.094,1314 34.54,1315 93.92,1316 206.154,1317 265.72,1318 281.72,1319 289.72,1320 297.72,1321 62.466,1322 7.258,1323 121.68,1324 146.98,1325 18,1326 12.287,1327 3.907,1328 3.17,1329 52.443,1330 123,1331 142,1332 0.199,1333 219.834,1334 379.29,1335 528.156,1336 14389,1338 20.64,1339 0.712,1340 0.602,1341 20.993,1342 17.451,1343 14.101,1344 0.455,1345 0.359,1346 9.893,1347 13.052,1348 9.554,1349 7.966,1350 14.659,1351 11.139,1352 12.01,1353 0.293,1354 0.2,1355 12.476,1356 8.201,1357 10.032,1358 0.193,1359 0.121,1360 10.563,1361 6.292,1362 7.886,1363 0.127,1364 0.069,1365 8.345,1366 4.277,1367 6.143,1368 0.082,1369 0.04,1370 6.46,1371 2.963,1372 0.317,1373 94.205,1374 0.22,1375 27.927,1376 0.533,1377 144,1378 419.245,1379 177.25,1380 426.493,1381 569.27,1382 396,1383 165,1384 402.164,1385 194.594,1386 413.786,1387 595.33,1388 386,1389 6.9}
{0 CHEMBL394619,1 1.596,2 11.852,3 4.031,4 16.251,5 110.81,6 8.322,7 0.733,8 3.915,9 4.029,10 3.622,11 3.567,12 5.091,13 3.523,14 4.371,15 4.508,16 3.985,17 3.954,18 5.546,19 3.882,20 4.587,21 4.759,22 3.99,23 4.044,24 5.686,25 3.955,26 4.652,27 4.856,28 3.997,29 4.002,30 5.76,31 3.896,32 4.609,33 4.822,34 3.774,35 3.882,36 5.738,37 3.765,38 4.458,39 4.687,40 3.612,41 3.713,42 5.565,43 3.614,44 4.312,45 4.529,46 3.435,47 3.595,48 5.379,49 3.495,50 4.224,51 4.46,52 3.379,53 3.536,54 5.209,55 3.407,56 0.037,57 0.662,58 8.085,59 3.793,60 8.894,61 4.521,62 0.184,63 1.036,64 14.93,65 6.774,66 19.793,67 8.311,68 0.144,69 1.263,70 19.706,71 8.141,72 24.969,73 9.765,74 0.121,75 1.336,76 24.015,77 9.287,78 26.887,79 11.687,80 0.244,81 1.259,82 25.907,83 9.136,84 44.12,85 10.433,86 0.192,87 1.061,88 21.233,89 7.672,90 37.504,91 9.363,92 0.203,93 0.919,94 16.091,95 5.901,96 34.392,97 7.437,98 0.113,99 0.827,100 16.132,101 6.634,102 18.371,103 8.732,104 10,105 42,106 0.27,107 0.609,108 0.749,109 0.849,110 0.867,111 0.874,112 3.339,113 0.935,114 -4.64,115 -4.56,116 -4.29,119 46.7,120 1,142 9,143 4,144 2,145 1,147 1,151 1,152 1,159 1,163 1,164 1,165 1,172 11,175 2,177 1,178 3,179 1,180 5,183 17,185 1,188 1,193 5,196 11,198 1,200 6,205 10,208 6,210 3,213 6,218 7,221 4,223 2,225 5,230 6,233 6,235 2,238 1,243 2,246 8,250 1,253 1,254 1,255 2,257 1,258 10,264 1,269 1,272 8,276 1035,277 18.309,278 18.309,279 18.309,280 18.309,281 18.309,282 15.515,283 17.311,284 10.791,285 18.668,286 14.831,287 14.831,288 14.831,289 14.831,290 14.831,291 10.69,292 24.218,293 5.145,294 15.403,295 3.895,296 1.896,297 1.068,298 0.478,299 0.372,300 0.328,301 4.038,305 1,306 1,307 703,308 3,311 62.79,312 262.4,315 118.128,319 1.953,320 18.349,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 57,332 320,333 4.666,334 3.563,335 6.884,336 4.198,337 3.229,338 4.626,339 1.656,340 11.489,341 3.131,342 4.1,343 3.244,344 5.857,345 3.717,346 2.745,347 3.686,348 0.247,349 8.081,350 2.666,351 4.033,352 2.744,353 5.617,354 3.606,355 2.625,356 3.648,358 7.758,359 2.571,360 3.733,361 2.649,362 5.391,363 3.368,364 2.391,365 3.078,367 7.082,368 2.325,369 3.468,370 2.327,371 5.034,372 3.076,373 2.095,374 2.81,376 5.716,377 2.048,378 3.416,379 2.136,380 4.901,381 2.881,382 1.99,383 2.741,385 5.674,386 1.762,387 3.165,388 2.058,389 4.542,390 2.741,391 1.743,392 2.381,394 4.688,395 1.729,396 2.977,397 1.539,398 4.38,399 2.47,400 1.493,401 2.182,403 4.009,404 1.452,405 2.658,406 1.24,407 3.81,408 2.179,409 1.182,410 1.729,412 2.689,413 1.178,414 2.553,415 1.088,416 3.479,417 2.006,418 1.064,419 1.577,421 2.585,422 1,423 2.5,424 1,425 3.414,426 2,427 1,428 1.5,430 2.275,431 0.993,432 2.187,433 0.807,434 3.313,435 1.582,436 0.744,437 1.053,439 1.81,440 0.607,441 1.322,442 0.624,443 2.949,444 1.018,445 0.072,446 0.085,448 0.194,449 0.067,450 1.182,451 0.275,452 2.508,453 0.765,454 -0.233,455 -0.304,457 -0.562,458 -0.229,459 1.042,460 -0.131,461 2.365,462 0.604,463 -0.335,464 -0.442,466 -0.77,467 -0.313,468 13.267,469 0.491,470 0.661,471 0.024,472 40,473 1.481,474 23,475 0.852,476 17,477 0.63,478 18.508,479 0.685,480 26.933,481 0.599,482 28.058,483 1.039,484 7.845,485 0.291,486 5.253,487 0.195,488 0.093,490 0.339,496 0.889,497 0.974,498 0.737,499 0.756,500 0.765,501 0.754,502 0.431,503 0.932,504 0.841,505 0.92,506 0.467,507 0.892,508 1.149,509 1.073,510 1.01,511 0.984,512 1.027,513 1.031,514 0.859,515 1.239,516 0.915,517 1.125,518 0.795,519 1.055,520 1.606,521 1.052,522 1.306,523 1.123,524 1.602,525 1.062,526 1.372,527 0.978,528 0.976,529 0.916,530 1.406,531 0.908,532 1.483,533 0.937,534 0.93,535 0.858,536 1.599,537 1.018,538 0.477,539 0.89,540 0.784,541 0.964,542 0.553,543 0.973,544 5.5,545 0.091,546 2.667,547 2.063,548 1.468,549 0.722,550 0.406,551 0.305,552 0.193,553 0.208,554 10041,555 27102,556 2.12,557 40,558 3,559 9,560 1,561 1,562 4,567 1.694,568 2,569 3.514,570 1.661,572 1,577 71.836,578 1.596,579 3.595,580 4.424,581 5.014,582 5.12,583 5.164,584 2.94,585 4.607,586 4.728,587 3.718,588 1304.95,589 8.171,590 17354.7,592 1,594 1,595 247.133,596 1.352,597 4.694,598 0.183,599 0.005,600 0.063,601 0.05,602 0.039,603 0.023,604 0.015,605 0.013,606 0.009,607 0.01,608 0.411,609 0.17,610 1,611 0.528,612 136.072,613 -0.126,614 0.094,615 0.037,616 0.122,617 -0.15,618 0.091,619 0.33,620 0.095,621 0.046,622 0.033,623 0.163,624 0.011,625 -0.185,626 -0.056,627 -0.124,628 -0.059,629 -0.148,630 -0.119,631 0.058,632 -0.265,633 0.077,634 -0.137,635 0.102,636 -0.076,637 -0.247,638 -0.049,639 -0.195,640 -0.09,641 -0.138,642 -0.093,643 -0.135,644 -0.014,645 -0.002,646 0.04,647 -0.056,648 0.076,649 -0.262,650 0.03,651 -0.119,652 -0.001,653 -0.307,654 -0.078,655 0.246,656 0.006,657 0.135,658 0.005,659 0.155,660 0.069,661 1.942,662 5.181,663 0.778,664 26.123,665 1,666 1.112,667 3.408,668 11.615,669 0.721,670 3.434,671 3.761,672 4.025,673 4.317,674 4.489,675 4.522,676 4.605,677 4.762,678 4.762,679 4.828,680 7.122,681 0.682,682 374.5,683 3.434,684 4.977,685 5.826,686 6.708,687 7.572,688 8.459,689 9.33,690 10.22,691 11.096,692 11.989,693 8.9,697 1,700 2,703 1,708 2,709 11,710 1,713 1,714 6,716 22,727 1,735 45,737 23,738 2,739 30,741 48,742 21,743 19,744 4,745 8,748 4,749 5,753 1,754 1,762 20,763 1,767 1,772 1,776 1,780 1,783 18,784 5,785 4,786 6,787 1,792 4,797 0.75,798 1,809 1,815 1,816 3,819 1,843 3,845 1,847 1,851 27,852 1,860 2,869 1,874 2.2,877 1,881 13.5,882 8.283,883 5.861,884 2.478,886 4.106,887 1.541,888 1.044,889 4.883,890 11.695,891 3.761,892 4.41,893 5.02,894 5.664,895 6.181,896 6.463,897 6.868,898 7.339,899 7.561,900 7.903,901 0.875,902 41,903 9.923,905 4.219,906 7.716,907 18.915,909 15.514,911 2.216,912 59.833,915 1,916 164.795,917 167.078,918 85.704,920 25.145,922 31.278,923 135.801,924 189.94,925 85.704,926 8.825,927 36.022,928 125.832,929 53.702,930 26.691,931 19.121,932 172.531,934 164.795,935 221.505,936 25.145,937 31.278,939 164.795,940 25.145,943 53.894,944 150.825,945 16.786,946 31.278,947 164.795,948 110.849,949 167.078,952 164.795,953 56.27,954 110.808,955 36.022,956 74.828,957 164.795,958 110.849,959 167.078,961 0.583,962 0.336,963 0.189,964 0.098,965 21,966 9,967 0.063,968 3,969 1,970 1.095,971 3.994,972 227.926,973 0.095,974 21,975 122.382,977 1,981 17.65,982 7.469,983 3.844,984 2.081,985 110.849,986 21.121,987 4.188,990 1.64,991 5.186,993 68.919,994 442.723,995 42,1000 12.181,1004 -0.275,1007 44.996,1008 50.029,1009 0.291,1010 0.655,1011 0.806,1012 0.913,1013 0.932,1014 0.94,1015 4.98,1016 1.493,1017 5.808,1018 4.688,1019 4.443,1020 5.097,1021 1.758,1022 6.611,1023 4.372,1024 6.205,1025 1.182,1026 7.357,1027 4.009,1028 4.007,1029 4.902,1030 1.195,1031 7.489,1032 3.926,1033 7.517,1034 1.064,1035 9.004,1036 2.689,1037 6.023,1038 7.352,1039 2.415,1040 10.607,1041 5.895,1042 8.865,1043 1,1044 10.712,1045 2.585,1046 6.399,1047 7.999,1048 2.324,1049 12.381,1050 6.251,1051 10.244,1052 0.744,1053 12.461,1054 2.275,1055 7.888,1056 9.914,1057 3.244,1058 15.029,1059 7.705,1060 11.647,1061 0.072,1062 14.241,1063 1.81,1064 8.658,1065 10.992,1066 3.407,1067 17.197,1068 8.449,1069 13.07,1070 -0.233,1071 16.046,1072 0.194,1073 9.932,1074 12.675,1075 4.156,1076 19.697,1077 9.694,1078 3.229,1079 -0.335,1080 17.872,1081 -0.562,1082 10.899,1083 13.979,1084 4.464,1085 22.031,1086 10.63,1087 2.745,1088 11.489,1089 19.715,1090 -0.77,1091 12.088,1092 15.563,1093 5.111,1094 24.486,1095 11.79,1096 2.625,1097 8.081,1098 21.572,1099 4.626,1100 13.153,1101 16.981,1102 5.504,1103 26.885,1104 12.822,1105 2.391,1106 7.758,1107 23.442,1108 3.686,1109 14.313,1110 18.526,1111 6.091,1112 29.329,1113 13.953,1114 2.095,1115 7.082,1116 25.321,1117 3.648,1118 15.425,1119 20,1120 6.531,1121 31.753,1122 15.033,1123 1.99,1124 5.716,1125 27.209,1126 3.078,1127 16.579,1128 21.531,1129 7.083,1130 34.194,1131 16.156,1132 1.743,1133 5.674,1134 29.104,1135 2.81,1136 17.716,1137 23.033,1138 7.551,1139 36.628,1140 17.261,1141 9415,1142 15615,1143 20.285,1144 32.455,1145 45.308,1146 45.843,1147 46.346,1148 44.639,1149 44.744,1150 62.193,1151 3.806,1152 128.101,1153 43.059,1154 5.533,1155 5.563,1156 6.441,1157 5.293,1158 5.229,1159 7.626,1160 2.912,1161 18.662,1162 5.131,1163 11.774,1164 1.51,1165 1.528,1166 1.545,1167 1.488,1168 1.491,1169 2.073,1170 0.127,1171 4.27,1172 1.435,1173 4.106,1174 4.119,1175 4.33,1176 4.112,1177 7.431,1178 4.069,1179 3.933,1180 3.967,1181 3.884,1182 3.861,1183 5.189,1184 3.857,1185 3.837,1186 3.869,1187 3.802,1188 3.776,1189 4.79,1190 3.766,1191 3.446,1192 3.494,1193 3.453,1194 3.23,1195 4.744,1196 3.246,1197 3.276,1198 3.324,1199 3.381,1200 3.133,1201 4.613,1202 3.131,1203 3.144,1204 3.223,1205 3.022,1206 2.987,1207 4.252,1208 2.968,1209 3.066,1210 3.159,1211 2.943,1212 2.896,1213 4.018,1214 2.878,1215 2.869,1216 2.941,1217 2.766,1218 2.735,1219 3.857,1220 2.717,1221 0.156,1222 0.119,1223 0.229,1224 0.14,1225 0.108,1226 4.666,1227 0.154,1228 3.563,1229 0.055,1230 6.884,1231 0.383,1232 4.198,1233 0.104,1234 3.229,1235 4.626,1236 1.656,1237 11.489,1238 3.131,1239 1.957,1240 1.936,1241 2.044,1242 2.046,1243 1.171,1244 2.045,1245 1.912,1246 1.883,1247 2.027,1248 2.004,1249 1.131,1250 2.012,1251 1.809,1252 1.786,1253 1.869,1254 1.915,1255 0.989,1256 1.916,1257 1.411,1258 1.396,1259 1.561,1260 1.615,1261 0.644,1262 1.589,1263 1.271,1264 1.219,1265 1.447,1266 1.421,1267 0.611,1268 1.468,1269 1.141,1270 1.076,1271 1.329,1272 1.365,1273 0.301,1274 1.392,1275 0.915,1276 0.839,1277 1.209,1278 1.244,1279 0.218,1280 1.25,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.152,1286 1.107,1287 4.111,1289 5.434,1290 2.398,1291 6.946,1292 4.727,1293 8.547,1294 6.862,1295 10.193,1297 1.984,1301 6.049,1305 5.678,1314 30.675,1315 71.836,1316 161.795,1317 199.094,1318 225.624,1319 230.379,1320 232.379,1321 36.896,1322 7.589,1323 80.04,1324 108.28,1325 23,1326 12.519,1327 4.585,1328 3.7,1329 40.549,1330 119,1331 99,1332 0.169,1333 192.739,1334 321.08,1335 462.043,1336 22050,1338 18.803,1339 0.696,1340 0.574,1341 19.156,1342 15.508,1343 13.097,1344 0.437,1345 0.312,1346 8.472,1347 12.326,1348 8.152,1349 6.804,1350 13.551,1351 9.348,1352 11.982,1353 0.285,1354 0.17,1355 12.533,1356 7.156,1357 9.814,1358 0.178,1359 0.094,1360 10.488,1361 5.193,1362 8.669,1363 0.117,1364 0.053,1365 9.53,1366 3.942,1367 6.625,1368 0.075,1369 0.029,1370 7.378,1371 2.536,1372 0.272,1373 85.262,1374 0.222,1375 26.359,1376 0.444,1377 144,1378 386.219,1379 175.574,1380 408.539,1381 566.04,1382 382,1383 169,1384 409.853,1385 197.032,1386 436.082,1387 633.73,1388 410,1389 5.4}
{0 CHEMBL394790,1 1.748,2 11.852,3 4.209,4 17.719,5 110.574,6 9.403,7 0.733,8 3.863,9 3.966,10 3.666,11 3.541,12 5.075,13 3.502,14 4.306,15 4.42,16 4.05,17 3.933,18 5.548,19 3.865,20 4.539,21 4.701,22 4.057,23 4.015,24 5.686,25 3.928,26 4.551,27 4.728,28 4.065,29 3.952,30 5.743,31 3.858,32 4.526,33 4.719,34 3.813,35 3.843,36 5.71,37 3.731,38 4.367,39 4.57,40 3.729,41 3.669,42 5.599,43 3.584,44 4.22,45 4.43,46 3.482,47 3.57,48 5.268,49 3.463,50 4.149,51 4.367,52 3.496,53 3.504,54 5.211,55 3.379,56 0.069,57 0.609,58 5.629,59 3.238,60 9.206,61 3.523,62 0.199,63 0.945,64 10.715,65 5.76,66 17.83,67 6.634,68 0.254,69 1.162,70 18.933,71 7.614,72 31.506,73 8.263,74 0.231,75 1.185,76 20.32,77 8.123,78 25.558,79 9.361,80 0.327,81 1.131,82 24.982,83 8.761,84 45.922,85 9.047,86 0.36,87 0.959,88 19.211,89 6.938,90 48.76,91 7.579,92 0.188,93 0.827,94 14.436,95 5.689,96 25.386,97 7.018,98 0.152,99 0.754,100 14.8,101 6.133,102 18.69,103 7.782,104 10,105 42,106 0.3,107 0.596,108 0.748,109 0.856,110 0.875,111 0.884,112 3.339,113 0.941,114 -4.91,115 -4.81,116 -4.51,119 47.6,142 9,143 3,144 3,145 1,147 1,151 1,152 1,159 1,163 1,164 1,165 1,172 8,175 2,177 1,178 3,179 1,180 5,183 16,185 1,188 1,193 4,196 10,198 1,200 6,205 10,208 6,210 3,213 5,218 6,221 4,223 2,225 5,230 6,233 6,235 2,238 1,243 2,246 6,250 1,253 1,254 1,255 2,257 1,258 8,264 1,269 1,272 7,276 1035,277 18.309,278 18.309,279 18.309,280 18.309,281 18.309,282 15.515,283 16.486,284 10.791,285 18.804,286 14.831,287 14.831,288 14.831,289 14.831,290 14.831,291 10.69,292 22.737,293 5.145,294 15.671,295 3.644,296 1.919,297 1.031,298 0.399,299 0.286,300 0.238,301 4.038,302 1,305 1,306 1,307 703,308 3,311 62.79,312 262.4,315 118.128,319 1.953,320 21.57,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 57.333,332 320,333 4.666,334 3.563,335 6.884,336 4.198,337 3.229,338 4.626,339 1.656,340 11.489,341 3.131,342 4.1,343 3.244,344 5.857,345 3.705,346 2.745,347 3.686,348 0.247,349 8.081,350 2.631,351 4.033,352 2.965,353 5.617,354 3.59,355 2.625,356 3.648,358 7.758,359 2.521,360 3.733,361 2.657,362 5.391,363 3.351,364 2.391,365 3.078,367 7.082,368 2.283,369 3.468,370 2.35,371 5.034,372 3.036,373 2.095,374 2.81,376 5.716,377 1.959,378 3.416,379 2.283,380 4.901,381 2.88,382 1.99,383 2.741,385 5.674,386 1.758,387 3.165,388 2.058,389 4.542,390 2.692,391 1.743,392 2.381,394 4.688,395 1.575,396 2.977,397 1.539,398 4.38,399 2.468,400 1.493,401 2.182,403 4.009,404 1.445,405 2.658,406 1.278,407 3.81,408 2.164,409 1.182,410 1.729,412 2.689,413 1.139,414 2.553,415 1.088,416 3.479,417 2.006,418 1.064,419 1.577,421 2.585,422 1,423 2.5,424 1,425 3.414,426 2,427 1,428 1.5,430 2.275,431 0.993,432 2.187,433 0.807,434 3.313,435 1.582,436 0.744,437 1.053,439 1.81,440 0.607,441 1.322,442 0.626,443 2.949,444 1.018,445 0.072,446 0.085,448 0.194,449 0.067,450 1.182,451 0.286,452 2.508,453 0.762,454 -0.233,455 -0.304,457 -0.562,458 -0.22,459 1.042,460 0.2,461 2.365,462 0.603,463 -0.335,464 -0.442,466 -0.77,467 -0.272,468 13.481,469 0.499,470 0.661,471 0.024,472 40.25,473 1.491,474 23,475 0.852,476 17.25,477 0.639,478 18.413,479 0.682,480 26.719,481 0.636,482 28.152,483 1.043,484 7.877,485 0.292,486 5.221,487 0.193,488 0.107,490 0.334,496 0.818,497 0.949,498 0.617,499 0.673,500 0.733,501 0.677,502 0.476,503 0.964,504 0.761,505 0.904,506 0.482,507 0.899,508 1.172,509 1.022,510 1.026,511 0.946,512 1.047,513 0.993,514 0.845,515 1.261,516 0.887,517 1.154,518 0.828,519 1.087,520 1.454,521 1.069,522 1.232,523 1.173,524 1.589,525 1.104,526 1.085,527 0.978,528 0.858,529 0.96,530 1.276,531 0.959,532 0.869,533 0.997,534 0.804,535 0.924,536 0.892,537 1.064,538 0.533,539 0.923,540 0.732,541 0.951,542 0.574,543 0.988,544 5.5,545 0.091,546 2.667,547 2.063,548 1.468,549 0.723,550 0.406,551 0.305,552 0.193,553 0.208,554 10041,555 32046,556 2.12,557 35.7,559 9,560 1,561 1,562 4,567 1.694,568 2,569 3.514,570 1.698,572 1,577 73.435,578 1.748,579 3.474,580 4.362,581 4.993,582 5.107,583 5.154,584 2.94,585 4.607,586 4.728,587 3.718,588 1304.95,589 8.171,590 17354.7,592 1,594 1,595 226.477,596 1.352,597 4.694,598 0.183,599 0.005,600 0.063,601 0.05,602 0.039,603 0.023,604 0.015,605 0.013,606 0.009,607 0.01,608 0.411,609 0.17,610 1,611 0.528,612 136.072,613 -0.139,614 0.107,615 0.008,616 0.129,617 -0.156,618 0.097,619 0.236,620 0.055,621 -0.012,622 -0.018,623 0.133,624 -0.063,625 -0.223,626 -0.015,627 -0.14,628 -0.03,629 -0.164,630 -0.087,631 0.05,632 -0.274,633 0.026,634 -0.179,635 0.075,636 -0.123,637 -0.255,638 -0.079,639 -0.211,640 -0.118,641 -0.175,642 -0.106,643 0.047,644 0.008,645 0.019,646 -0.003,647 0.035,648 0.028,649 -0.078,650 -0.057,651 -0.028,652 -0.047,653 -0.138,654 -0.065,655 0.218,656 -0.027,657 0.163,658 0.028,659 0.161,660 0.086,661 2.001,662 5.138,663 0.778,664 26.123,665 1.01,666 1.109,667 3.676,668 13.514,669 0.751,670 3.434,671 3.761,672 4.025,673 4.317,674 4.489,675 4.522,676 4.605,677 4.762,678 4.762,679 4.828,680 7.122,681 0.714,682 394.91,683 3.434,684 4.977,685 5.826,686 6.708,687 7.572,688 8.459,689 9.33,690 10.22,691 11.096,692 11.989,693 9.5,697 1,700 2,703 1,708 2,709 11,710 1,713 1,714 6,716 22,727 1,734 1,735 42,737 23,738 2,739 30,741 45,742 20,743 19,744 4,745 8,748 4,749 5,750 1,753 1,762 20,767 1,772 1,776 1,780 1,783 15,784 5,785 4,786 7,787 2,792 4,797 0.75,798 1,809 1,815 1,816 3,819 1,843 3,845 1,848 1,851 27,852 1,860 2,869 1,873 1,874 2.4,877 1,881 13.5,882 7.426,883 5.861,884 2.263,886 4.106,887 1.541,888 1.048,889 5.075,890 11.695,891 3.761,892 4.41,893 5.02,894 5.664,895 6.181,896 6.463,897 6.868,898 7.339,899 7.561,900 7.903,901 0.875,902 41,903 9.904,905 4.237,906 7.794,907 18.702,909 15.349,911 2.294,912 61.944,915 1,916 129.482,917 158.568,918 85.704,919 39.149,920 25.145,922 31.278,923 127.29,924 193.776,925 85.704,927 36.022,928 125.832,929 53.702,930 27.006,931 19.121,932 137.218,933 39.149,934 129.482,935 212.995,936 25.145,937 70.426,939 129.482,940 25.145,943 45.069,944 151.14,945 55.934,946 31.278,947 129.482,948 110.849,949 197.717,952 129.482,953 56.585,954 101.983,955 36.022,956 113.976,957 129.482,958 110.849,959 197.717,961 0.583,962 0.336,963 0.189,964 0.098,965 21,966 9,967 0.067,968 3,969 1,970 1.095,971 3.994,972 227.926,973 0.095,974 21,975 124.382,977 1,981 17.922,982 7.645,983 3.954,984 2.058,985 110.849,986 20.311,987 4.178,990 1.63,991 4.45,993 68.919,994 438.048,995 42,1000 12.138,1004 -0.334,1007 42.436,1008 46.558,1009 0.324,1010 0.644,1011 0.809,1012 0.926,1013 0.947,1014 0.956,1015 4.98,1016 1.493,1017 5.808,1018 4.688,1019 4.443,1020 5.097,1021 1.758,1022 6.611,1023 4.341,1024 6.205,1025 1.182,1026 7.357,1027 4.009,1028 4.007,1029 4.902,1030 1.195,1031 7.489,1032 3.852,1033 7.517,1034 1.064,1035 9.004,1036 2.689,1037 6.023,1038 7.352,1039 2.415,1040 10.607,1041 5.849,1042 8.865,1043 1,1044 10.712,1045 2.585,1046 6.399,1047 7.999,1048 2.324,1049 12.381,1050 6.182,1051 10.244,1052 0.744,1053 12.461,1054 2.275,1055 7.888,1056 9.914,1057 3.244,1058 15.029,1059 7.654,1060 11.647,1061 0.072,1062 14.241,1063 1.81,1064 8.658,1065 10.992,1066 3.407,1067 17.197,1068 8.388,1069 13.07,1070 -0.233,1071 16.046,1072 0.194,1073 9.932,1074 12.675,1075 4.156,1076 19.697,1077 9.643,1078 3.229,1079 -0.335,1080 17.872,1081 -0.562,1082 10.899,1083 13.979,1084 4.464,1085 22.031,1086 10.578,1087 2.745,1088 11.489,1089 19.715,1090 -0.77,1091 12.088,1092 15.563,1093 5.111,1094 24.486,1095 11.745,1096 2.625,1097 8.081,1098 21.572,1099 4.626,1100 13.153,1101 16.981,1102 5.504,1103 26.885,1104 12.778,1105 2.391,1106 7.758,1107 23.442,1108 3.686,1109 14.313,1110 18.526,1111 6.091,1112 29.329,1113 13.914,1114 2.095,1115 7.082,1116 25.321,1117 3.648,1118 15.425,1119 20,1120 6.531,1121 31.753,1122 14.996,1123 1.99,1124 5.716,1125 27.209,1126 3.078,1127 16.579,1128 21.531,1129 7.083,1130 34.194,1131 16.124,1132 1.743,1133 5.674,1134 29.104,1135 2.81,1136 17.716,1137 23.033,1138 7.551,1139 36.628,1140 17.232,1141 9415,1142 16947,1143 20.285,1144 31.551,1145 45.308,1146 45.927,1147 46.346,1148 44.854,1149 44.744,1150 62.193,1151 3.806,1152 128.101,1153 42.218,1154 5.533,1155 5.563,1156 6.441,1157 5.293,1158 5.229,1159 7.626,1160 2.912,1161 18.662,1162 5.131,1163 11.774,1164 1.51,1165 1.531,1166 1.545,1167 1.495,1168 1.491,1169 2.073,1170 0.127,1171 4.27,1172 1.407,1173 4.105,1174 4.118,1175 4.33,1176 4.112,1177 7.431,1178 4.069,1179 3.917,1180 3.946,1181 4,1182 3.846,1183 5.189,1184 3.84,1185 3.834,1186 3.864,1187 3.823,1188 3.775,1189 4.945,1190 3.764,1191 3.433,1192 3.476,1193 3.467,1194 3.227,1195 4.777,1196 3.239,1197 3.267,1198 3.31,1199 3.447,1200 3.107,1201 4.614,1202 3.114,1203 3.068,1204 3.161,1205 3.226,1206 2.906,1207 4.369,1208 2.882,1209 2.887,1210 2.943,1211 2.999,1212 2.798,1213 4.248,1214 2.773,1215 2.867,1216 2.925,1217 2.768,1218 2.735,1219 3.945,1220 2.717,1221 0.156,1222 0.119,1223 0.229,1224 0.14,1225 0.108,1226 4.666,1227 0.154,1228 3.563,1229 0.055,1230 6.884,1231 0.383,1232 4.198,1233 0.104,1234 3.229,1235 4.626,1236 1.656,1237 11.489,1238 3.131,1239 1.957,1240 1.935,1241 2.036,1242 2.042,1243 1.171,1244 2.041,1245 1.88,1246 1.856,1247 1.969,1248 1.976,1249 1.059,1250 1.979,1251 1.808,1252 1.785,1253 1.868,1254 1.91,1255 0.989,1256 1.914,1257 1.407,1258 1.394,1259 1.456,1260 1.589,1261 0.64,1262 1.561,1263 1.216,1264 1.179,1265 1.336,1266 1.392,1267 0.31,1268 1.422,1269 0.916,1270 0.84,1271 1.209,1272 1.247,1273 0.218,1274 1.252,1275 0.886,1276 0.824,1277 1.181,1278 1.062,1279 0.167,1280 1.107,1281 0.869,1282 0.821,1283 1.098,1284 1.047,1285 0.14,1286 1.077,1287 4.111,1289 5.434,1290 2.398,1291 6.946,1292 4.727,1293 8.547,1294 6.862,1295 10.193,1298 5.923,1301 6.039,1305 5.551,1314 29.976,1315 73.435,1316 145.894,1317 183.193,1318 209.722,1319 214.477,1320 216.477,1321 38.358,1322 7.589,1323 80.04,1324 108.28,1325 23,1326 12.519,1327 4.585,1328 3.7,1329 40.549,1330 119,1331 99,1332 0.169,1333 191.48,1334 318.99,1335 458.97,1336 22050,1337 2.4,1338 18.803,1339 0.696,1340 0.579,1341 19.656,1342 15.642,1343 13.097,1344 0.437,1345 0.314,1346 8.191,1347 12.017,1348 7.908,1349 6.546,1350 13.84,1351 9.414,1352 11.982,1353 0.285,1354 0.172,1355 12.941,1356 7.233,1357 9.814,1358 0.178,1359 0.095,1360 10.75,1361 5.234,1362 8.669,1363 0.117,1364 0.054,1365 9.799,1366 3.976,1367 6.625,1368 0.075,1369 0.029,1370 7.543,1371 2.554,1372 0.272,1373 88.437,1374 0.222,1375 26.359,1376 0.444,1377 144,1378 412.422,1379 191.093,1380 461.775,1381 624.84,1382 430,1383 169,1384 426.716,1385 206.791,1386 460.874,1387 670.87,1388 434,1389 5.7}
{0 CHEMBL396523,1 1.675,2 10.462,3 3.46,4 11.97,5 96.728,6 8.659,7 0.759,8 3.84,9 3.955,10 3.525,11 3.376,12 5.115,13 3.401,14 4.271,15 4.403,16 3.875,17 3.738,18 5.63,19 3.744,20 4.48,21 4.663,22 3.85,23 3.798,24 5.661,25 3.781,26 4.508,27 4.713,28 3.787,29 3.711,30 5.753,31 3.687,32 4.431,33 4.643,34 3.67,35 3.622,36 5.656,37 3.606,38 4.313,39 4.509,40 3.657,41 3.592,42 5.578,43 3.571,44 4.278,45 4.48,46 3.586,47 3.509,48 5.518,49 3.489,50 4.179,51 4.396,52 3.408,53 3.375,54 5.436,55 3.331,56 0.139,57 0.662,58 6.045,59 2.928,60 11.153,61 3.161,62 0.297,63 1.008,64 9.75,65 4.763,66 34.95,67 5.53,68 0.302,69 1.155,70 14.856,71 5.768,72 27.301,73 6.987,74 0.457,75 1.121,76 17.254,77 6.093,78 38.011,79 7.642,80 0.48,81 1.013,82 17.174,83 5.506,84 53.613,85 6.492,86 0.354,87 0.934,88 13.916,89 5.085,90 38.287,91 6.389,92 0.345,93 0.909,94 13.379,95 4.841,96 31.54,97 5.919,98 0.416,99 0.774,100 13.315,101 4.502,102 41.89,103 5.91,104 6,105 40,106 0.29,107 0.618,108 0.782,109 0.903,110 0.921,111 0.921,112 3.304,113 0.808,114 -3.97,115 -3.93,116 -3.72,119 45,142 8,143 2,144 2,145 2,147 1,150 1,152 1,158 1,167 1,168 1,170 1,172 6,173 1,174 1,175 4,178 4,180 8,183 6,184 1,188 3,193 7,194 1,196 4,197 2,200 9,203 2,204 2,205 4,208 2,209 1,213 7,214 1,216 1,217 1,218 1,221 2,222 1,224 1,225 4,228 1,230 5,233 3,237 2,238 2,239 1,241 2,243 4,244 1,246 2,249 1,250 1,253 2,254 1,255 1,258 4,264 1,267 1,268 1,269 1,272 8,273 2,276 954,277 17.809,278 17.809,279 17.809,280 17.809,281 17.809,282 15.053,283 21.251,284 10.618,285 18.125,286 14.366,287 14.366,288 14.366,289 14.366,290 14.366,291 10.283,292 40.027,293 5.068,294 14.899,295 3.647,296 1.749,297 0.8,298 0.1,301 4.005,304 1,305 1,306 1,307 598,308 2.915,311 62.342,312 233.196,315 106.35,319 1.734,320 25.392,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 57,332 272,333 4.428,334 3.608,335 6.417,336 3.97,337 2.988,338 4.367,339 1.437,340 9.816,341 2.933,342 4.337,343 3.006,344 6.196,345 3.928,346 2.948,347 3.95,348 0.4,349 9.272,350 2.888,351 4.065,352 2.879,353 5.668,354 3.611,355 2.68,356 3.661,357 0.4,358 7.932,359 2.488,360 3.654,361 2.662,362 5.314,363 3.263,364 2.308,365 3.057,367 6.841,368 2.2,369 3.387,370 2.338,371 4.947,372 2.959,373 1.99,374 2.634,376 5.672,377 1.917,378 3.215,379 1.962,380 4.679,381 2.751,382 1.786,383 2.473,385 4.816,386 1.709,387 3.034,388 1.534,389 4.361,390 2.517,391 1.534,392 2.301,394 4.202,395 1.507,396 2.863,397 1.468,398 3.724,399 2.402,400 1.416,401 2.018,403 3.134,404 1.394,405 2.661,406 1.311,407 3.497,408 2.128,409 1.186,410 1.736,412 2.622,413 1.114,414 2.581,415 1.206,416 3.466,417 2.054,418 1.092,419 1.621,421 2.436,422 1.048,423 2.532,424 1.102,425 3.445,426 2.005,427 1,428 1.475,430 2.304,431 0.994,432 1.956,433 0.525,434 3.089,435 1.449,436 0.488,437 0.707,439 1.184,440 0.467,441 1.372,442 0.472,443 2.912,444 1.016,445 0.069,446 0.086,448 0.179,449 0.065,450 1.258,451 0.221,452 2.82,453 0.892,454 -0.052,455 -0.066,457 -0.143,458 -0.049,459 0.835,460 0.075,461 2.286,462 0.383,463 -0.584,464 -0.764,466 -1.425,467 -0.557,468 12.067,469 0.464,470 0.571,471 0.022,472 40,473 1.538,474 22.5,475 0.865,476 17.5,477 0.673,478 15.224,479 0.586,480 26.333,481 0.658,482 28.664,483 1.102,484 8.181,485 0.315,486 4.505,487 0.173,488 0.055,490 0.331,496 0.904,497 1.13,498 0.702,499 0.853,500 0.771,501 0.749,502 0.543,503 1.13,504 0.781,505 1.061,506 0.426,507 0.988,508 0.965,509 1.263,510 1.022,511 1.124,512 0.759,513 1.079,514 0.961,515 1.081,516 1.027,517 1.076,518 0.905,519 1.065,520 1.395,521 0.838,522 1.106,523 0.795,524 1.41,525 0.864,526 0.9,527 1.085,528 0.926,529 0.973,530 0.838,531 0.956,532 0.998,533 0.98,534 1.032,535 1.041,536 0.977,537 1.041,538 0.8,539 0.913,540 0.991,541 0.918,542 0.859,543 0.982,544 5,545 0.104,546 2.222,547 1.757,548 1.053,549 0.622,550 0.409,551 0.306,552 0.201,553 0.111,554 8730,555 27219,556 2.148,557 35,559 8,561 2,562 4,567 1.688,568 2.053,569 3.384,570 1.773,572 1,574 1,577 67.006,578 1.675,579 3.573,580 4.522,581 5.222,582 5.322,583 5.322,584 2.749,585 3.95,586 4.676,587 3.574,588 1161.64,589 8.087,590 14791.2,591 1,592 1,593 1,594 1,595 212.877,596 1.239,597 4.65,598 0.172,599 0.006,600 0.056,601 0.046,602 0.031,603 0.02,604 0.013,605 0.011,606 0.009,607 0.006,608 0.37,609 0.17,610 1,611 0.646,612 128.173,613 -0.129,614 -0.002,615 0.001,616 0.078,617 -0.143,618 0.071,619 0.209,620 -0.027,621 -0.032,622 -0.125,623 0.208,624 -0.136,625 -0.164,626 -0.232,627 -0.13,628 -0.176,629 -0.071,630 -0.146,631 0.023,632 -0.099,633 -0.033,634 -0.12,635 0.029,636 -0.096,637 -0.252,638 0.132,639 -0.071,640 0.161,641 -0.225,642 0.103,643 0.011,644 -0.101,645 0.035,646 -0.001,647 0.045,648 0.018,649 -0.03,650 0.023,651 -0.058,652 -0.094,653 -0.068,654 -0.089,655 0.197,656 0.036,657 0.048,658 0.063,659 0.12,660 0.028,661 2.672,662 4.312,663 0.808,664 22.515,665 1.02,666 1.127,667 2.744,668 7.528,669 0.7,670 3.401,671 3.714,672 3.97,673 4.234,674 4.394,675 4.419,676 4.522,677 4.654,678 4.654,679 4.771,680 6.523,681 0.692,682 346.38,683 3.401,684 4.934,685 5.778,686 6.648,687 7.503,688 8.375,689 9.233,690 10.106,691 10.965,692 11.838,693 15,701 3,703 3,708 2,709 10,710 3,711 1,714 5,716 22,725 1,728 2,735 40,737 23,738 2,739 29,741 43,742 18,743 17,744 5,745 7,746 1,748 4,749 5,762 18,767 1,772 1,776 1,779 1,780 1,783 14,784 7,785 4,786 8,792 6,797 0.75,798 2,807 1,810 1,815 1,816 3,819 1,841 1,843 3,851 26,857 1,860 2,874 5,876 1,877 1,881 12.667,882 7.05,883 5.667,884 2.147,886 4.4,887 1.585,888 1.017,889 4.314,890 11.922,891 3.738,892 4.373,893 4.969,894 5.572,895 6.059,896 6.286,897 6.678,898 7.107,899 7.284,900 7.712,901 0.857,902 38,903 9.52,905 4.085,906 7.917,907 17.683,909 14.264,911 2.417,912 62.833,915 1,916 117.711,917 112.458,918 102.919,920 67.828,923 112.458,924 185.539,925 102.919,928 75.81,929 142.514,930 82.051,931 6.371,932 94.169,934 117.711,935 215.376,936 67.828,939 117.711,940 67.828,943 72.678,944 92.464,945 50.234,947 117.711,948 170.747,949 112.458,952 117.711,953 18.553,954 93.905,955 52.685,956 118.062,957 117.711,958 170.747,959 112.458,961 0.578,962 0.334,963 0.186,964 0.095,965 20,966 8,967 0.116,968 5,969 1,970 1.095,971 3.909,972 217.337,973 0.095,974 21,975 122.211,981 16.21,982 6.92,983 3.569,984 1.914,985 154.084,986 17.393,987 12.572,988 2.894,991 2.337,993 95.368,994 400.916,995 41,1000 11.312,1004 -1.006,1007 40.8,1008 45.069,1009 0.315,1010 0.671,1011 0.85,1012 0.981,1013 1,1014 1,1015 4.945,1016 1.416,1017 5.746,1018 4.202,1019 4.394,1020 5.059,1021 1.752,1022 6.524,1023 4.324,1024 6.16,1025 1.186,1026 7.279,1027 3.134,1028 3.892,1029 4.796,1031 7.326,1032 3.789,1033 7.461,1034 1.092,1035 8.908,1036 2.622,1037 5.953,1038 7.293,1039 2.264,1040 10.408,1041 5.817,1042 8.799,1043 1,1044 10.596,1045 2.436,1046 6.275,1047 7.872,1049 12.043,1050 6.113,1051 10.166,1052 0.488,1053 12.321,1054 2.304,1055 7.782,1056 9.806,1057 2.923,1058 14.606,1059 7.592,1060 11.556,1061 0.069,1062 14.072,1063 1.184,1064 8.494,1065 10.802,1067 16.59,1068 8.285,1069 12.963,1070 -0.052,1071 15.842,1072 0.179,1073 9.762,1074 12.482,1075 3.619,1076 18.965,1077 9.528,1078 2.988,1079 -0.584,1080 17.626,1081 -0.143,1082 10.664,1083 13.695,1085 21.102,1086 10.415,1087 2.948,1088 9.816,1089 19.42,1090 -1.425,1091 11.824,1092 15.253,1093 4.33,1094 23.405,1095 11.553,1096 2.68,1097 9.272,1098 21.223,1099 4.367,1100 12.819,1101 16.58,1103 25.61,1104 12.533,1105 2.308,1106 7.932,1107 23.033,1108 3.95,1109 13.932,1110 18.08,1111 5.047,1112 27.887,1113 13.627,1114 1.99,1115 6.841,1116 24.849,1117 3.661,1118 14.971,1119 19.467,1121 30.123,1122 14.651,1123 1.786,1124 5.672,1125 26.669,1126 3.057,1127 16.064,1128 20.942,1129 5.769,1130 32.391,1131 15.728,1132 1.534,1133 4.816,1134 28.493,1135 2.634,1136 17.125,1137 22.362,1139 34.643,1140 16.773,1141 8162,1142 14546,1143 19.879,1144 27.989,1145 43.496,1146 43.891,1147 43.827,1148 43,1149 42.97,1150 60.172,1151 4.473,1152 120.82,1153 41.449,1154 5.231,1155 5.608,1156 6.099,1157 5.044,1158 4.988,1159 7.367,1160 2.873,1161 16.379,1162 4.933,1163 9.412,1164 1.5,1165 1.513,1166 1.511,1167 1.483,1168 1.482,1169 2.075,1170 0.154,1171 4.166,1172 1.429,1173 4.101,1174 4.145,1175 4.063,1176 3.989,1177 7.475,1178 4.001,1179 3.955,1180 3.989,1181 3.912,1182 3.864,1183 6.351,1184 3.869,1185 3.788,1186 3.838,1187 3.748,1188 3.621,1189 5.11,1190 3.647,1191 3.393,1192 3.465,1193 3.324,1194 3.194,1195 5.002,1196 3.217,1197 3.279,1198 3.267,1199 3.226,1200 3.023,1201 4.703,1202 3.066,1203 3.047,1204 3.127,1205 2.954,1206 2.865,1207 4.419,1208 2.871,1209 2.967,1210 3.037,1211 2.845,1212 2.805,1213 4.09,1214 2.81,1215 2.805,1216 2.891,1217 2.692,1218 2.589,1219 3.903,1220 2.61,1221 0.153,1222 0.124,1223 0.221,1224 0.137,1225 0.103,1226 4.428,1227 0.151,1228 3.608,1229 0.05,1230 6.417,1231 0.338,1232 3.97,1233 0.101,1234 2.988,1235 4.367,1236 1.437,1237 9.816,1238 2.933,1239 1.941,1240 1.914,1241 2.023,1242 2.06,1243 1.151,1244 2.047,1245 1.909,1246 1.886,1247 2.004,1248 2.006,1249 1.093,1250 2.006,1251 1.705,1252 1.658,1253 1.8,1254 1.878,1255 0.781,1256 1.86,1257 1.311,1258 1.229,1259 1.465,1260 1.64,1261 0.408,1262 1.593,1263 1.126,1264 1.122,1265 1.268,1266 1.429,1267 0.336,1268 1.361,1269 1.106,1270 1.051,1271 1.25,1272 1.332,1273 0.233,1274 1.318,1275 0.953,1276 0.884,1277 1.184,1278 1.198,1279 0.223,1280 1.197,1281 0.784,1282 0.699,1283 1.053,1284 1.036,1285 0.012,1286 1.056,1287 4.078,1289 5.389,1290 2.398,1291 6.891,1292 4.595,1293 8.479,1294 6.581,1295 10.11,1302 9.269,1305 6.148,1314 27.665,1315 67.006,1316 142.903,1317 180.877,1318 208.877,1319 212.877,1320 212.877,1321 35.693,1322 7.522,1323 115.82,1324 115.82,1325 23,1326 12.381,1327 4.585,1328 3.7,1329 38.143,1330 104,1331 82,1332 0.18,1333 170.416,1334 281.46,1335 407.575,1336 20658,1338 17.933,1339 0.69,1340 0.518,1341 17.933,1342 13.471,1343 12.687,1344 0.437,1345 0.269,1346 7.689,1347 12.15,1348 7.58,1349 6.294,1350 12.687,1351 7.815,1352 11.453,1353 0.286,1354 0.138,1355 11.453,1356 5.538,1357 9.417,1358 0.181,1359 0.073,1360 9.417,1361 3.772,1362 8.151,1363 0.12,1364 0.038,1365 8.151,1366 2.555,1367 6.25,1368 0.078,1369 0.02,1370 6.25,1371 1.601,1372 0.285,1373 79.908,1374 0.224,1375 25.286,1376 0.484,1377 138,1378 439.819,1379 153.641,1380 431.347,1381 591.77,1382 402,1383 161,1384 444.555,1385 175.729,1386 449.672,1387 652.09,1388 423,1389 6.4}
{0 CHEMBL398951,1 1.526,2 14.968,3 3.785,4 14.322,5 119.477,6 7.42,7 0.486,8 4.137,9 4.254,10 3.717,11 3.678,12 5.201,13 3.664,14 4.708,15 4.88,16 4.05,17 4.083,18 5.674,19 4.048,20 4.933,21 5.148,22 4.062,23 4.204,24 5.862,25 4.123,26 4.959,27 5.202,28 3.937,29 4.167,30 5.838,31 4.053,32 4.935,33 5.205,34 3.86,35 4.067,36 5.78,37 3.95,38 4.768,39 5.01,40 3.768,41 3.969,42 5.613,43 3.862,44 4.715,45 4.951,46 3.713,47 3.902,48 5.624,49 3.801,50 4.642,51 4.885,52 3.656,53 3.806,54 5.623,55 3.715,56 0.035,57 0.845,58 11.471,59 5.1,60 10.545,61 6.625,62 0.219,63 1.377,64 23.009,65 8.482,66 21.831,67 11.274,68 0.37,69 1.637,70 30.587,71 11.164,72 37.393,73 15.355,74 0.28,75 1.66,76 31.989,77 11.567,78 37.805,79 16.519,80 0.442,81 1.541,82 32.946,83 11.251,84 43.313,85 16.316,86 0.27,87 1.319,88 26.781,89 9.851,90 28.035,91 13.858,92 0.272,93 1.243,94 25.49,95 9.249,96 33.697,97 12.768,98 0.409,99 1.171,100 24.074,101 7.939,102 40.902,103 11.19,104 3,105 48,106 0.249,107 0.604,108 0.781,109 0.859,110 0.859,111 0.859,112 3.471,113 0.927,114 -3.35,115 -3.34,116 -3.2,119 42.9,121 3,125 6,142 5,143 4,144 1,145 1,146 2,152 1,158 1,168 1,172 9,175 8,180 2,183 10,187 2,188 10,193 3,196 8,200 5,203 1,205 3,208 7,212 3,213 7,218 1,221 9,225 3,228 1,230 1,233 8,238 7,241 1,246 6,249 2,250 6,255 1,258 3,263 1,264 4,269 1,272 1,276 1800,277 21.8,278 21.8,279 21.8,280 21.8,281 21.8,282 19.765,283 24.866,284 13.094,285 22.345,286 17.274,287 17.274,288 17.274,289 17.274,290 17.274,291 14.038,292 29.046,293 6.208,294 18.12,295 4.281,296 2.102,297 1.011,298 0.536,299 0.536,300 0.536,301 4.187,305 1,306 1,307 1031,308 3.24,311 123.648,312 280.558,314 100.591,315 110.516,318 153.483,319 2.614,320 23.088,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 66.5,332 464,333 4.66,334 4.057,335 6.933,336 4.303,337 3.316,338 4.39,339 2.035,340 11.729,341 3.272,342 4.214,343 3.448,344 6.293,345 3.808,346 2.826,347 3.849,348 0.86,349 9.462,350 2.777,351 3.98,352 2.929,353 5.535,354 3.463,355 2.524,356 3.511,357 0.86,358 7.235,359 2.402,360 3.676,361 2.884,362 5.34,363 3.437,364 2.5,365 2.99,366 0.8,367 6.965,368 2.309,369 3.522,370 2.71,371 5.29,372 3.248,373 2.301,374 2.671,375 0.68,376 6.737,377 2.173,378 3.401,379 2.418,380 5.199,381 2.957,382 1.982,383 2.521,385 6.209,386 1.925,387 3.104,388 2.175,389 4.888,390 2.675,391 1.7,392 2.182,394 5.182,395 1.659,396 2.876,397 2.091,398 4.101,399 2.619,400 1.649,401 1.714,403 3.466,404 1.594,405 2.706,406 1.91,407 3.793,408 2.297,409 1.415,410 1.619,412 3.112,413 1.235,414 2.581,415 1.698,416 3.77,417 2.135,418 1.163,419 1.5,421 2.963,422 1.127,423 2.5,424 1.258,425 3.551,426 1.963,427 1,428 1.45,430 2.651,431 0.961,432 2.431,433 1.256,434 3.414,435 1.952,436 1,437 1.43,439 2.275,440 0.946,441 2.402,442 1.115,443 3.247,444 1.933,445 0.966,446 1,448 2.136,449 0.932,450 2,451 1,452 3.168,453 1.73,454 0.81,455 0.955,457 1.779,458 0.737,459 1.889,460 0.959,461 3.036,462 1.46,463 0.513,464 0.847,466 0.96,467 0.484,468 14.667,469 0.473,470 0.53,471 0.017,472 40,473 1.29,474 19.5,475 0.629,476 20.5,477 0.661,478 26.065,479 0.841,480 32.733,481 0.585,482 27.652,483 0.892,484 7.668,485 0.247,486 7.646,487 0.247,488 0.027,490 0.3,496 0.818,497 1.245,498 0.766,499 1.104,500 0.521,501 0.957,502 1.362,503 1.078,504 0.974,505 0.942,506 0.692,507 0.911,508 1.109,509 1.004,510 1.004,511 0.977,512 0.64,513 0.985,514 0.85,515 1.051,516 1.016,517 1.072,518 0.729,519 1.067,520 0.834,521 0.822,522 0.866,523 0.846,524 0.76,525 0.86,526 0.902,527 0.976,528 0.925,529 1.003,530 0.606,531 0.98,532 1.141,533 0.984,534 0.979,535 1,536 0.79,537 0.987,538 1.171,539 0.886,540 1.001,541 0.859,542 1.08,543 0.901,544 4.5,545 0.143,546 2.889,547 1.417,548 1.242,549 0.896,550 0.448,551 0.337,552 0.294,553 0.131,554 15952,555 39438,556 2.2,557 44.6,558 2,559 17,561 1,562 1,564 4,567 1.73,568 2.138,569 3.829,570 -0.361,572 1,577 85.467,578 1.526,579 3.706,580 4.796,581 5.272,582 5.272,583 5.272,584 3.389,585 4.632,586 4.916,587 4.014,588 1866.61,589 8.556,590 28122.8,592 1,595 325.212,596 1.058,597 4.918,598 0.129,599 0.006,600 0.06,601 0.03,602 0.031,603 0.024,604 0.013,605 0.011,606 0.01,607 0.005,608 0.318,609 0.33,610 0.88,611 0.479,612 165.259,613 0.036,614 -0.086,615 0.078,616 -0.057,617 0.113,618 0.004,619 -0.194,620 -0.006,621 -0.037,622 0.055,623 -0.031,624 0.036,625 -0.062,626 -0.008,627 -0.038,628 0.022,629 0.074,630 -0.006,631 -0.036,632 -0.076,633 -0.048,634 -0.08,635 0.023,636 -0.068,637 0.097,638 0.103,639 0.148,640 0.134,641 0.051,642 0.146,643 0.027,644 -0.043,645 0.059,646 0.006,647 0.04,648 0.031,649 -0.06,650 -0.056,651 0.017,652 0.004,653 0.023,654 0.013,655 0.016,656 0.077,657 0.015,658 0.105,659 0.026,660 0.067,661 1.255,662 2.958,663 0.774,664 42.918,665 1,666 1.126,667 2.124,668 4.512,669 0.671,670 3.584,671 3.892,672 4.205,673 4.5,674 4.745,675 4.89,676 5.094,677 5.236,678 5.361,679 5.489,680 8.413,681 0.639,682 415.54,683 3.584,684 5.118,685 5.979,686 6.858,687 7.74,688 8.633,689 9.529,690 10.433,691 11.339,692 12.251,693 8.9,696 1,701 1,702 1,703 2,709 6,710 2,711 1,714 8,716 17,718 1,733 1,735 56,737 18,738 1,739 35,741 60,742 24,743 14,744 3,745 3,748 5,749 8,757 1,760 3,761 1,762 14,763 9,780 1,783 25,784 6,785 1,786 7,792 5,797 0.6,798 2,807 1,809 1,815 2,816 3,818 1,819 1,822 1,839 1,842 1,843 3,851 31,858 9,861 2,864 1,866 1,870 1,872 1,874 3.6,878 1,879 1,881 14.5,882 10.133,883 6.889,884 3.601,886 3.518,887 1.419,888 1.009,889 5.884,890 11.924,891 3.839,892 4.385,893 5.003,894 5.604,895 6.138,896 6.554,897 7.065,898 7.478,899 7.889,900 8.314,901 1,902 47,903 11.444,905 4.87,906 7.591,907 22.392,909 18.794,911 2.091,912 64.833,914 1,915 1,916 282.506,917 126.984,918 84.295,920 22,923 126.984,924 304.506,925 84.295,927 27.698,928 47.381,929 72.821,930 94.393,931 2.757,932 270.735,934 282.506,935 211.279,936 22,939 235.422,940 58.084,941 11,943 93.105,944 84.725,945 33.449,947 282.506,948 106.295,949 126.984,952 282.506,953 53.954,954 59.553,955 33.265,956 86.508,957 282.506,958 106.295,959 126.984,961 0.57,962 0.337,963 0.185,964 0.101,965 24,966 9,967 0.117,968 7,969 2,970 1.167,971 4.517,972 276.964,973 0.167,974 24,975 144.825,981 20.056,982 9.095,983 4.299,985 89.632,986 11.662,987 8.753,988 3.154,991 7.749,993 16.663,994 515.786,995 45.5,1007 56,1008 63.062,1009 0.263,1010 0.638,1011 0.826,1012 0.908,1013 0.908,1014 0.908,1015 5.083,1016 1.649,1017 5.938,1018 5.182,1019 4.575,1020 5.072,1021 2.648,1022 6.744,1023 4.494,1024 6.264,1025 1.415,1026 7.483,1027 3.466,1028 4.007,1029 4.745,1030 0.325,1031 7.636,1032 3.919,1033 7.558,1034 1.163,1035 9.132,1036 3.112,1037 6.151,1038 7.229,1039 3.647,1040 10.778,1041 6.015,1042 8.891,1043 1,1044 10.848,1045 2.963,1046 6.494,1047 7.833,1048 0.268,1049 12.59,1050 6.366,1051 10.263,1052 1,1053 12.608,1054 2.651,1055 8.036,1056 9.72,1057 4.977,1058 15.248,1059 7.871,1060 11.663,1061 0.966,1062 14.401,1063 2.275,1064 8.815,1065 10.755,1066 0.188,1067 17.438,1068 8.661,1069 13.086,1070 0.81,1071 16.219,1072 2.136,1073 10.119,1074 12.397,1075 6.38,1076 19.95,1077 9.941,1078 3.316,1079 0.513,1080 18.056,1081 1.779,1082 11.112,1083 13.644,1084 0.125,1085 22.295,1086 10.94,1087 2.826,1088 11.729,1089 19.908,1090 0.96,1091 12.326,1092 15.181,1093 7.797,1094 24.764,1095 12.139,1096 2.524,1097 9.462,1098 21.774,1099 4.39,1100 13.42,1101 16.535,1102 0.082,1103 27.173,1104 13.234,1105 2.5,1106 7.235,1107 23.65,1108 3.849,1109 14.607,1110 18.027,1111 9.217,1112 29.63,1113 14.409,1114 2.301,1115 6.965,1116 25.535,1117 3.511,1118 15.75,1119 19.435,1120 0.054,1121 32.066,1122 15.548,1123 1.982,1124 6.737,1125 27.427,1126 2.99,1127 16.931,1128 20.909,1129 10.638,1130 34.522,1131 16.719,1132 1.7,1133 6.209,1134 29.326,1135 2.671,1136 18.098,1137 22.346,1138 0.035,1139 36.97,1140 17.878,1141 14696,1142 23308,1143 24.444,1144 37.551,1145 53.431,1146 55.109,1147 52.897,1148 51.968,1149 51.939,1150 66.029,1151 10.469,1152 146.978,1153 49.657,1154 5.66,1155 6.057,1156 6.735,1157 5.406,1158 5.316,1159 7.39,1160 4.069,1161 19.269,1162 5.272,1163 7.979,1164 1.527,1165 1.575,1166 1.511,1167 1.485,1168 1.484,1169 1.887,1170 0.299,1171 4.199,1172 1.419,1173 4.126,1174 4.158,1175 4.094,1176 4.042,1177 6.821,1178 4.05,1179 3.87,1180 3.904,1181 3.828,1182 3.781,1183 5.053,1184 3.789,1185 3.831,1186 3.892,1187 3.707,1188 3.634,1189 4.809,1190 3.64,1191 3.66,1192 3.707,1193 3.6,1194 3.489,1195 4.719,1196 3.509,1197 3.554,1198 3.615,1199 3.407,1200 3.392,1201 4.625,1202 3.388,1203 3.209,1204 3.265,1205 3.136,1206 3.038,1207 4.298,1208 3.055,1209 3.129,1210 3.206,1211 3.033,1212 2.941,1213 4.033,1214 2.939,1215 3.111,1216 3.187,1217 2.866,1218 2.927,1219 3.82,1220 2.91,1221 0.133,1222 0.116,1223 0.198,1224 0.123,1225 0.095,1226 4.66,1227 0.125,1228 4.057,1229 0.058,1230 6.933,1231 0.335,1232 4.303,1233 0.093,1234 3.316,1235 4.39,1236 2.035,1237 11.729,1238 3.272,1239 1.894,1240 1.872,1241 2.009,1242 2.01,1243 1.327,1244 2.011,1245 1.87,1246 1.844,1247 1.974,1248 1.994,1249 1.167,1250 1.988,1251 1.767,1252 1.704,1253 1.945,1254 1.957,1255 1.136,1256 1.956,1257 1.575,1258 1.516,1259 1.838,1260 1.781,1261 1.054,1262 1.804,1263 1.503,1264 1.474,1265 1.623,1266 1.618,1267 0.831,1268 1.614,1269 1.249,1270 1.18,1271 1.513,1272 1.561,1273 0.825,1274 1.517,1275 1.153,1276 1.087,1277 1.458,1278 1.411,1279 0.718,1280 1.429,1281 1.145,1282 1.064,1283 1.359,1284 1.376,1285 0.346,1286 1.425,1287 4.263,1289 5.572,1290 3.045,1291 7.079,1292 5.476,1293 8.679,1294 7.644,1295 10.334,1303 8.62,1306 11.425,1309 2.457,1312 8.958,1313 2.055,1314 35.805,1315 85.467,1316 207.524,1317 268.583,1318 295.212,1319 295.212,1320 295.212,1321 42.336,1322 8.405,1323 87.06,1324 87.06,1325 28,1326 12.767,1327 4.248,1328 3.524,1329 44.044,1330 154,1331 165,1332 0.137,1333 216.71,1334 375.44,1335 520.532,1336 61465,1338 21.045,1339 0.679,1340 0.562,1341 21.045,1342 17.433,1343 15.314,1344 0.438,1345 0.309,1346 10.657,1347 14.687,1348 10.476,1349 8.583,1350 15.314,1351 10.816,1352 13.239,1353 0.276,1354 0.166,1355 13.239,1356 7.975,1357 11.739,1358 0.178,1359 0.091,1360 11.739,1361 5.979,1362 9.928,1363 0.112,1364 0.048,1365 9.928,1366 4.269,1367 8.107,1368 0.071,1369 0.026,1370 8.107,1371 2.951,1372 0.223,1373 96.121,1374 0.202,1375 29.986,1376 0.353,1377 166,1378 462.384,1379 180.359,1380 445.879,1381 617.58,1382 422,1383 197,1384 455.528,1385 212.527,1386 460.963,1387 675.9,1388 435,1389 5.1}
{0 CHEMBL402846,1 1.659,2 12,3 3.225,4 10.398,5 110.654,6 8.135,7 0.688,8 3.993,9 4.122,10 3.627,11 3.529,12 5.222,13 3.534,14 4.466,15 4.63,16 4.004,17 3.909,18 5.7,19 3.901,20 4.676,21 4.851,22 4.064,23 4.037,24 5.918,25 4.011,26 4.778,27 4.988,28 4.011,29 4.011,30 5.974,31 3.965,32 4.742,33 4.965,34 3.925,35 3.9,36 6.093,37 3.859,38 4.661,39 4.906,40 3.702,41 3.789,42 5.823,43 3.725,44 4.448,45 4.677,46 3.526,47 3.656,48 5.576,49 3.578,50 4.371,51 4.616,52 3.487,53 3.563,54 5.496,55 3.481,56 0.11,57 0.836,58 8.332,59 3.797,60 10.99,61 4.645,62 0.289,63 1.284,64 15.266,65 6.344,66 25.633,67 8.156,68 0.401,69 1.562,70 19.627,71 7.716,72 40.824,73 9.558,74 0.365,75 1.599,76 24.095,77 8.988,78 47.007,79 11.685,80 0.647,81 1.45,82 24.539,83 7.628,84 92.027,85 10.135,86 0.501,87 1.312,88 24.278,89 7.731,90 70.785,91 10.059,92 0.347,93 1.068,94 18.359,95 6.463,96 44.188,97 8.484,98 0.295,99 1.02,100 17.797,101 6.808,102 36.769,103 9.054,104 26,105 46,106 0.278,107 0.657,108 0.791,109 0.859,110 0.866,111 0.866,112 3.408,113 0.837,114 -4.3,115 -4.23,116 -4,119 43.8,120 1,124 1,142 7,143 4,144 3,145 2,147 1,152 1,159 1,163 1,164 1,165 1,166 1,172 10,175 3,177 1,178 3,179 1,180 4,183 11,185 1,187 1,188 4,190 1,191 1,193 5,196 8,198 1,199 1,200 7,205 7,208 2,210 1,213 10,215 1,216 1,218 7,223 2,225 7,230 6,233 2,235 2,238 1,241 1,243 1,246 6,250 1,253 2,254 1,255 1,257 1,258 9,263 1,267 1,272 7,276 1234,277 19.309,278 19.309,279 19.309,280 19.309,281 19.309,282 16.418,283 20.429,284 11.162,285 19.625,286 15.776,287 15.776,288 15.776,289 15.776,290 15.776,291 11.472,292 27.095,293 5.295,294 16.307,295 3.926,296 1.66,297 0.858,298 0.448,299 0.406,300 0.406,301 4.101,305 1,306 1,307 757,308 3.162,311 67.94,312 282.828,315 127.39,319 1.931,320 31.551,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 63.5,332 348,333 4.726,334 3.575,335 6.97,336 4.264,337 3.287,338 4.708,339 1.656,340 11.8,341 3.214,342 4.252,343 3.315,344 6.094,345 3.851,346 2.891,347 3.891,348 0.247,349 8.875,350 2.771,351 4.117,352 3.121,353 6.063,354 3.708,355 2.729,356 3.736,358 8.669,359 2.668,360 3.811,361 2.741,362 5.482,363 3.452,364 2.482,365 3.208,367 7.318,368 2.4,369 3.521,370 2.421,371 5.287,372 3.129,373 2.143,374 2.828,376 6.069,377 2.104,378 3.394,379 2.418,380 4.934,381 2.976,382 2.01,383 2.729,385 5.745,386 1.931,387 3.358,388 2.09,389 4.818,390 2.9,391 1.951,392 2.641,394 5.333,395 1.842,396 3.124,397 1.806,398 4.696,399 2.67,400 1.704,401 2.354,403 4.831,404 1.64,405 2.809,406 1.785,407 4.169,408 2.358,409 1.382,410 1.919,412 3.639,413 1.339,414 2.684,415 1.241,416 4.089,417 2.164,418 1.209,419 1.769,421 3.249,422 1.153,423 2.5,424 1.139,425 3.634,426 2.004,427 1.053,428 1.5,430 2.589,431 1,432 2.467,433 1,434 3.414,435 2,436 1,437 1.453,439 2.275,440 0.998,441 1.536,442 0.782,443 3.02,444 1.211,445 0.289,446 0.344,448 0.68,449 0.261,450 1.347,451 0.597,452 2.66,453 0.984,454 0.02,455 0.024,457 0.048,458 0.019,459 1,460 0.224,461 2.444,462 0.657,463 -0.324,464 -0.401,466 -0.837,467 -0.313,468 13.519,469 0.466,470 0.839,471 0.029,472 42,473 1.448,474 23,475 0.793,476 19,477 0.655,478 20.243,479 0.698,480 30.281,481 0.631,482 32.963,483 1.137,484 8.551,485 0.295,486 5.367,487 0.185,488 0.149,490 0.399,494 1,496 0.714,497 1.068,498 0.718,499 0.928,500 0.639,501 0.834,502 0.609,503 0.994,504 0.684,505 0.888,506 0.522,507 0.817,508 0.995,509 1.055,510 1.028,511 1.063,512 0.974,513 1.054,514 1.003,515 1.24,516 0.999,517 1.208,518 0.956,519 1.126,520 1.047,521 0.91,522 1.076,523 0.967,524 1.005,525 1.003,526 1.347,527 0.968,528 1.131,529 0.917,530 1.355,531 0.96,532 1.025,533 0.887,534 1.108,535 0.996,536 1.045,537 1.058,538 0.811,539 0.974,540 0.852,541 1.044,542 0.89,543 0.991,544 6.5,545 0.16,546 3.556,547 2.792,548 1.644,549 1.021,550 0.614,551 0.355,552 0.252,553 0.212,554 11695,555 34490,556 2.07,557 39.6,558 3,559 10,561 2,562 4,567 1.714,568 1.912,569 3.508,570 1.663,571 1,572 1,577 79.619,578 1.659,579 3.925,580 4.727,581 5.137,582 5.179,583 5.179,584 2.891,585 4.444,586 4.833,587 3.736,588 1516.95,589 8.385,590 21223.4,592 1,594 1,595 268.078,596 1.487,597 4.777,598 0.203,599 0.008,600 0.077,601 0.059,602 0.038,603 0.027,604 0.02,605 0.014,606 0.01,607 0.01,608 0.466,609 0.17,610 1,611 0.605,612 149.201,613 -0.058,614 -0.012,615 0.022,616 0.042,617 -0.104,618 0.051,619 0.122,620 0.017,621 0.14,622 0.088,623 0.089,624 0.109,625 -0.066,626 0.003,627 -0.16,628 -0.092,629 -0.089,630 -0.137,631 -0.064,632 -0.242,633 -0.049,634 -0.22,635 -0.026,636 -0.15,637 0.015,638 0.013,639 -0.085,640 -0.04,641 0.104,642 -0.068,643 -0.217,644 0.004,645 -0.087,646 0.058,647 -0.166,648 0.03,649 -0.131,650 -0.012,651 -0.131,652 -0.016,653 -0.124,654 -0.063,655 0.108,656 -0.016,657 0.171,658 -0.005,659 0.049,660 0.069,661 2.192,662 5.806,663 0.724,664 28.088,665 1.013,666 1.134,667 3.067,668 9.406,669 0.682,670 3.497,671 3.85,672 4.127,673 4.419,674 4.625,675 4.605,676 4.718,677 4.844,678 4.86,679 4.934,680 7.315,681 0.665,682 390.46,683 3.497,684 5.056,685 5.916,686 6.81,687 7.688,688 8.583,689 9.468,690 10.364,691 11.254,692 12.151,693 12.5,697 1,700 2,701 1,703 2,708 2,709 9,710 2,714 7,715 1,716 22,727 1,734 1,735 48,737 23,738 2,739 32,741 51,742 21,743 18,744 5,745 7,748 4,749 5,753 1,754 1,762 19,763 2,767 1,772 1,776 1,780 1,781 1,783 19,784 7,785 4,786 8,792 6,797 0.75,798 1,807 1,809 1,815 1,816 3,819 1,843 3,847 2,849 1,851 29,852 1,860 2,873 1,874 2.1,877 1,881 15.167,882 9.243,883 6.25,884 2.613,886 4.188,887 1.54,888 1.028,889 5.012,890 11.943,891 3.807,892 4.48,893 5.101,894 5.744,895 6.286,896 6.534,897 6.963,898 7.402,899 7.644,900 7.978,901 0.875,902 47,903 10.689,905 4.614,906 7.937,907 19.882,909 16.158,911 2.437,912 70.667,915 1,916 176.567,917 137.162,918 104.144,920 25.145,921 14.96,923 137.162,924 201.711,925 119.104,926 17.222,927 36.022,928 99.231,929 82.136,930 46.636,931 23.708,932 153.024,934 176.567,935 241.306,936 40.105,939 191.527,940 25.145,943 64.718,944 143.139,945 33.449,947 191.527,948 129.289,949 137.162,952 176.567,953 35.512,954 103.427,955 36.022,956 106.451,957 176.567,958 144.249,959 137.162,961 0.592,962 0.348,963 0.193,964 0.107,965 23,966 11,967 0.059,968 3,969 1,970 1.095,971 4.058,972 254.946,973 0.095,974 21,975 136.881,981 19.062,982 7.625,983 3.833,984 1.664,985 142.472,986 15.199,987 8.51,991 3.23,992 1.686,993 68.919,994 457.978,995 44,1000 12.196,1004 -0.525,1007 48.636,1008 54.445,1009 0.297,1010 0.703,1011 0.846,1012 0.92,1013 0.927,1014 0.927,1015 5.047,1016 1.704,1017 5.922,1018 5.333,1019 4.533,1020 5.168,1021 1.758,1022 6.756,1023 4.469,1024 6.29,1025 1.382,1026 7.497,1027 4.831,1028 4.205,1029 5.085,1030 1.195,1031 7.698,1032 4.11,1033 7.619,1034 1.209,1035 9.17,1036 3.639,1037 6.151,1038 7.454,1039 2.415,1040 10.82,1041 6.031,1042 8.983,1043 1.053,1044 10.901,1045 3.249,1046 6.608,1047 8.185,1048 2.324,1049 12.625,1050 6.459,1051 10.378,1052 1,1053 12.67,1054 2.589,1055 8.06,1056 10.053,1057 3.244,1058 15.286,1059 7.89,1060 11.796,1061 0.289,1062 14.467,1063 2.275,1064 8.889,1065 11.191,1066 3.407,1067 17.472,1068 8.691,1069 13.233,1070 0.02,1071 16.287,1072 0.68,1073 10.149,1074 12.854,1075 4.156,1076 19.986,1077 9.93,1078 3.287,1079 -0.324,1080 18.124,1081 0.048,1082 11.156,1083 14.198,1084 4.464,1085 22.334,1086 10.912,1087 2.891,1088 11.8,1089 19.977,1090 -0.837,1091 12.344,1092 15.776,1093 5.111,1094 24.805,1095 12.08,1096 2.729,1097 8.875,1098 21.842,1099 4.708,1100 13.435,1101 17.221,1102 5.504,1103 27.221,1104 13.148,1105 2.482,1106 8.669,1107 23.719,1108 3.891,1109 14.602,1110 18.769,1111 6.091,1112 29.683,1113 14.294,1114 2.143,1115 7.318,1116 25.604,1117 3.736,1118 15.734,1119 20.264,1120 6.531,1121 32.127,1122 15.404,1123 2.01,1124 6.069,1125 27.497,1126 3.208,1127 16.897,1128 21.804,1129 7.083,1130 34.589,1131 16.547,1132 1.951,1133 5.745,1134 29.397,1135 2.828,1136 18.05,1137 23.323,1138 7.551,1139 37.045,1140 17.679,1141 11079,1142 19168,1143 21.096,1144 32.756,1145 48.849,1146 49.955,1147 50.591,1148 48.303,1149 48.3,1150 66.208,1151 3.806,1152 142.24,1153 46.676,1154 5.596,1155 5.575,1156 6.481,1157 5.311,1158 5.287,1159 7.708,1160 2.912,1161 19.198,1162 5.214,1163 15.956,1164 1.527,1165 1.561,1166 1.581,1167 1.509,1168 1.509,1169 2.069,1170 0.119,1171 4.445,1172 1.459,1173 4.136,1174 4.177,1175 4.112,1176 4.027,1177 8.201,1178 4.041,1179 3.946,1180 3.98,1181 3.901,1182 3.857,1183 7.431,1184 3.861,1185 3.856,1186 3.893,1187 3.802,1188 3.759,1189 5.232,1190 3.766,1191 3.46,1192 3.517,1193 3.404,1194 3.205,1195 4.847,1196 3.245,1197 3.341,1198 3.415,1199 3.259,1200 3.1,1201 4.701,1202 3.126,1203 3.174,1204 3.26,1205 3.048,1206 2.976,1207 4.648,1208 2.984,1209 3.146,1210 3.241,1211 3.001,1212 2.9,1213 4.422,1214 2.916,1215 2.919,1216 2.99,1217 2.786,1218 2.764,1219 4.034,1220 2.756,1221 0.148,1222 0.112,1223 0.218,1224 0.133,1225 0.103,1226 4.726,1227 0.147,1228 3.575,1229 0.052,1230 6.97,1231 0.369,1232 4.264,1233 0.1,1234 3.287,1235 4.708,1236 1.656,1237 11.8,1238 3.214,1239 1.99,1240 1.968,1241 2.063,1242 2.078,1243 1.206,1244 2.074,1245 1.906,1246 1.879,1247 2.013,1248 2.013,1249 1.122,1250 2.011,1251 1.762,1252 1.728,1253 1.862,1254 1.906,1255 0.968,1256 1.896,1257 1.459,1258 1.374,1259 1.664,1260 1.759,1261 0.697,1262 1.729,1263 1.297,1264 1.242,1265 1.532,1266 1.586,1267 0.588,1268 1.557,1269 1.146,1270 1.079,1271 1.366,1272 1.4,1273 0.334,1274 1.411,1275 1.074,1276 0.983,1277 1.343,1278 1.381,1279 0.234,1280 1.389,1281 0.91,1282 0.85,1283 1.181,1284 1.105,1285 0.218,1286 1.119,1287 4.174,1289 5.517,1290 2.398,1291 7.048,1292 4.844,1293 8.667,1294 7.018,1295 10.334,1297 3.637,1299 13.806,1301 6.051,1305 5.213,1314 31.914,1315 79.619,1316 188.388,1317 226.917,1318 246.568,1319 248.568,1320 248.568,1321 52.476,1322 7.755,1323 97.86,1324 97.86,1325 23,1326 12.677,1327 4.585,1328 3.7,1329 45.042,1330 132,1331 105,1332 0.17,1333 196.395,1334 330.64,1335 470.963,1336 26965,1337 2.1,1338 20.543,1339 0.708,1340 0.548,1341 19.673,1342 15.901,1343 13.919,1344 0.435,1345 0.279,1346 8.787,1347 13.337,1348 8.535,1349 7.126,1350 13.508,1351 8.929,1352 13.039,1353 0.283,1354 0.146,1355 12.521,1356 6.73,1357 10.758,1358 0.176,1359 0.076,1360 10.209,1361 4.612,1362 9.281,1363 0.113,1364 0.039,1365 9.128,1366 3.201,1367 7.608,1368 0.075,1369 0.021,1370 7.074,1371 2.092,1372 0.272,1373 87.629,1374 0.218,1375 27.832,1376 0.449,1377 156,1378 510.76,1379 172.924,1380 477.485,1381 650.29,1382 444,1383 185,1384 486.249,1385 201.74,1386 489.813,1387 712.55,1388 459,1389 5.1}
{0 CHEMBL404367,1 1.539,2 11.929,3 3.019,4 9.115,5 110.437,6 7.76,7 0.71,8 3.984,9 4.116,10 3.586,11 3.53,12 5.165,13 3.523,14 4.454,15 4.623,16 3.947,17 3.911,18 5.619,19 3.885,20 4.656,21 4.839,22 3.977,23 4.04,24 5.772,25 3.989,26 4.757,27 4.975,28 3.948,29 4.014,30 5.866,31 3.944,32 4.727,33 4.957,34 3.815,35 3.902,36 5.898,37 3.839,38 4.638,39 4.891,40 3.652,41 3.793,42 5.702,43 3.706,44 4.436,45 4.67,46 3.434,47 3.659,48 5.473,49 3.557,50 4.345,51 4.601,52 3.382,53 3.567,54 5.313,55 3.451,56 0.071,57 0.769,58 9.087,59 3.767,60 9.957,61 4.933,62 0.235,63 1.175,64 16.075,65 6.296,66 22.782,67 8.59,68 0.232,69 1.387,70 20.303,71 7.648,72 27.569,73 10.232,74 0.164,75 1.449,76 24.138,77 8.902,78 30.216,79 12.507,80 0.361,81 1.362,82 24.739,83 7.605,84 57.433,85 10.457,86 0.281,87 1.201,88 23.604,89 7.655,90 45.198,91 10.844,92 0.262,93 0.997,94 18.537,95 6.43,96 38.071,97 8.829,98 0.17,99 0.897,100 17.277,101 6.739,102 22.411,103 9.604,104 17,105 44,106 0.258,107 0.625,108 0.759,109 0.843,110 0.859,111 0.866,112 3.374,113 0.854,114 -3.92,115 -3.87,116 -3.68,119 43.8,120 1,124 1,142 8,143 4,144 2,145 2,147 1,152 1,159 1,163 1,164 1,165 1,166 1,172 11,175 3,177 1,178 3,179 1,180 5,183 13,185 1,187 1,188 4,190 1,191 1,193 5,196 9,198 1,199 1,200 8,205 8,208 3,210 1,213 10,215 1,216 1,218 7,223 2,225 7,230 6,233 4,235 2,238 1,241 1,243 1,246 8,250 1,253 2,254 1,255 1,257 1,258 10,263 1,267 1,272 8,276 1102,277 18.809,278 18.809,279 18.809,280 18.809,281 18.809,282 15.97,283 20.473,284 11.003,285 19.077,286 15.315,287 15.315,288 15.315,289 15.315,290 15.315,291 11.087,292 29.218,293 5.238,294 15.739,295 4.046,296 1.849,297 1.047,298 0.547,299 0.448,300 0.406,301 4.07,305 1,306 1,307 730,308 3.082,311 65.027,312 272.026,315 122.041,319 1.944,320 20.999,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 60,332 334,333 4.726,334 3.563,335 6.97,336 4.264,337 3.287,338 4.708,339 1.656,340 11.8,341 3.214,342 4.131,343 3.315,344 6.064,345 3.74,346 2.766,347 3.739,348 0.247,349 8.672,350 2.692,351 4.063,352 2.759,353 5.624,354 3.662,355 2.68,356 3.659,358 7.798,359 2.629,360 3.804,361 2.721,362 5.428,363 3.437,364 2.461,365 3.207,367 7.165,368 2.392,369 3.515,370 2.419,371 5.278,372 3.115,373 2.13,374 2.802,376 6.064,377 2.089,378 3.373,379 2.138,380 4.903,381 2.92,382 1.978,383 2.719,385 5.684,386 1.862,387 3.204,388 2.09,389 4.727,390 2.778,391 1.799,392 2.459,394 4.942,395 1.756,396 3.085,397 1.789,398 4.499,399 2.634,400 1.648,401 2.275,403 4.556,404 1.614,405 2.684,406 1.242,407 4.141,408 2.182,409 1.211,410 1.77,412 3.262,413 1.181,414 2.658,415 1.239,416 3.634,417 2.162,418 1.181,419 1.729,421 2.602,422 1.152,423 2.5,424 1.139,425 3.479,426 2.004,427 1.053,428 1.5,430 2.574,431 1,432 2.467,433 1,434 3.414,435 2,436 1,437 1.453,439 2.275,440 0.998,441 1.36,442 0.642,443 2.964,444 1.048,445 0.097,446 0.115,448 0.259,449 0.092,450 1.184,451 0.289,452 2.616,453 0.78,454 -0.215,455 -0.281,457 -0.53,458 -0.211,459 0.917,460 -0.131,461 2.431,462 0.568,463 -0.426,464 -0.528,466 -1,467 -0.422,468 13.233,469 0.473,470 0.75,471 0.027,472 41.25,473 1.473,474 23,475 0.821,476 18.25,477 0.652,478 18.865,479 0.674,480 28.767,481 0.599,482 31.026,483 1.108,484 8.333,485 0.298,486 5.175,487 0.185,488 0.131,490 0.37,496 0.853,497 1.163,498 0.772,499 0.928,500 0.765,501 0.845,502 0.62,503 1.028,504 0.742,505 0.885,506 0.492,507 0.836,508 1.089,509 1.084,510 1.071,511 1.062,512 1.042,513 1.062,514 0.855,515 1.291,516 0.94,517 1.212,518 0.733,519 1.109,520 1.596,521 1.004,522 1.184,523 0.97,524 1.668,525 1.008,526 1.267,527 0.962,528 1.007,529 0.921,530 1.291,531 0.926,532 1.283,533 0.893,534 1.186,535 0.995,536 1.452,537 1.071,538 0.437,539 0.878,540 0.796,541 1.042,542 0.551,543 0.992,544 6,545 0.143,546 2.889,547 2.729,548 1.293,549 1.021,550 0.532,551 0.293,552 0.24,553 0.197,554 10800,555 28351,556 2.094,557 41.7,558 3,559 11,561 2,562 4,567 1.705,568 1.953,569 3.503,570 1.662,571 1,572 1,577 73.891,578 1.539,579 3.736,580 4.538,581 5.038,582 5.137,583 5.179,584 2.918,585 4.039,586 4.78,587 3.726,588 1408.38,589 8.28,590 19168,592 1,594 1,595 268.078,596 1.432,597 4.736,598 0.194,599 0.007,600 0.066,601 0.062,602 0.032,603 0.029,604 0.018,605 0.012,606 0.01,607 0.009,608 0.439,609 0.33,610 1,611 0.573,612 142.503,613 -0.045,614 0.007,615 0.033,616 0.043,617 -0.137,618 0.049,619 0.227,620 0.074,621 0.126,622 0.092,623 0.157,624 0.093,625 -0.13,626 -0.01,627 -0.178,628 -0.093,629 -0.163,630 -0.135,631 0.035,632 -0.307,633 0.013,634 -0.225,635 0.126,636 -0.129,637 -0.264,638 0.001,639 -0.174,640 -0.039,641 -0.176,642 -0.081,643 -0.144,644 -0.027,645 0.024,646 0.053,647 -0.065,648 0.064,649 -0.2,650 0.065,651 -0.194,652 -0.01,653 -0.256,654 -0.089,655 0.271,656 0.014,657 0.199,658 -0.004,659 0.145,660 0.067,661 1.96,662 5.211,663 0.75,664 27.143,665 1.003,666 1.127,667 2.689,668 7.231,669 0.684,670 3.466,671 3.807,672 4.078,673 4.382,674 4.564,675 4.575,676 4.691,677 4.82,678 4.828,679 4.898,680 7.199,681 0.657,682 372.47,683 3.466,684 5.017,685 5.872,686 6.763,687 7.634,688 8.529,689 9.408,690 10.305,691 11.19,692 12.089,693 12.5,697 1,700 2,701 1,703 2,708 2,709 10,710 2,714 6,715 1,716 22,727 1,735 48,737 23,738 2,739 31,741 51,742 21,743 18,744 4,745 8,748 4,749 5,753 1,754 1,762 19,763 2,767 1,772 1,776 1,780 1,783 20,784 6,785 4,786 7,792 6,797 0.75,798 1,807 1,809 1,815 1,816 3,819 1,843 3,847 2,851 28,852 1,860 2,874 2.1,877 1,881 14.333,882 9.183,883 6.056,884 2.626,886 4.129,887 1.538,888 1.028,889 4.82,890 11.801,891 3.784,892 4.446,893 5.063,894 5.717,895 6.245,896 6.51,897 6.951,898 7.393,899 7.628,900 7.966,901 0.875,902 44,903 10.276,905 4.353,906 7.75,907 19.461,909 15.784,911 2.25,912 63,915 1,916 188.338,917 137.517,918 104.144,920 25.145,923 137.517,924 213.483,925 104.144,926 17.222,927 36.022,928 108.707,929 82.136,930 37.515,931 8.748,932 164.795,934 188.338,935 241.661,936 25.145,939 188.338,940 25.145,943 64.718,944 143.495,945 33.449,947 188.338,948 129.289,949 137.517,952 188.338,953 26.391,954 112.903,955 36.022,956 91.491,957 188.338,958 129.289,959 137.517,961 0.586,962 0.341,963 0.194,964 0.102,965 22,966 10,967 0.059,968 3,969 1,970 1.095,971 4.022,972 241.776,973 0.095,974 21,975 128.606,981 18.169,982 7.428,983 3.771,984 1.741,985 127.512,986 18.686,987 8.56,991 4.836,992 1.715,993 68.919,994 455.144,995 43,1000 12.211,1004 -0.293,1007 48.123,1008 54.106,1009 0.276,1010 0.669,1011 0.813,1012 0.902,1013 0.92,1014 0.927,1015 5.014,1016 1.648,1017 5.866,1018 4.942,1019 4.489,1020 5.133,1021 1.758,1022 6.688,1023 4.436,1024 6.249,1025 1.211,1026 7.43,1027 4.556,1028 4.111,1029 4.997,1030 1.195,1031 7.603,1032 4.039,1033 7.569,1034 1.181,1035 9.091,1036 3.262,1037 6.089,1038 7.406,1039 2.415,1040 10.733,1041 5.988,1042 8.926,1043 1.053,1044 10.812,1045 2.602,1046 6.509,1047 8.102,1048 2.324,1049 12.538,1050 6.389,1051 10.314,1052 1,1053 12.574,1054 2.574,1055 7.982,1056 9.996,1057 3.244,1058 15.205,1059 7.836,1060 11.727,1061 0.097,1062 14.367,1063 2.275,1064 8.79,1065 11.117,1066 3.407,1067 17.404,1068 8.624,1069 13.16,1070 -0.215,1071 16.183,1072 0.259,1073 10.06,1074 12.794,1075 4.156,1076 19.925,1077 9.872,1078 3.287,1079 -0.426,1080 18.021,1081 -0.53,1082 11.059,1083 14.134,1084 4.464,1085 22.286,1086 10.849,1087 2.766,1088 11.8,1089 19.875,1090 -1,1091 12.253,1092 15.722,1093 5.111,1094 24.764,1095 12.022,1096 2.68,1097 8.672,1098 21.743,1099 4.708,1100 13.343,1101 17.169,1102 5.504,1103 27.189,1104 13.09,1105 2.461,1106 7.798,1107 23.623,1108 3.739,1109 14.515,1110 18.724,1111 6.091,1112 29.657,1113 14.24,1114 2.13,1115 7.165,1116 25.513,1117 3.659,1118 15.65,1119 20.222,1120 6.531,1121 32.107,1122 15.352,1123 1.978,1124 6.064,1125 27.412,1126 3.207,1127 16.819,1128 21.767,1129 7.083,1130 34.573,1131 16.5,1132 1.799,1133 5.684,1134 29.317,1135 2.802,1136 17.976,1137 23.291,1138 7.551,1139 37.033,1140 17.634,1141 10188,1142 16653,1143 20.69,1144 32.819,1145 47.132,1146 47.737,1147 48.446,1148 46.562,1149 46.582,1150 64.272,1151 3.806,1152 135.309,1153 45.34,1154 5.592,1155 5.563,1156 6.527,1157 5.309,1158 5.287,1159 7.708,1160 2.912,1161 19.198,1162 5.214,1163 13.942,1164 1.52,1165 1.54,1166 1.563,1167 1.502,1168 1.503,1169 2.073,1170 0.123,1171 4.365,1172 1.463,1173 4.136,1174 4.177,1175 4.111,1176 4.027,1177 7.431,1178 4.041,1179 3.937,1180 3.974,1181 3.877,1182 3.858,1183 5.232,1184 3.856,1185 3.855,1186 3.892,1187 3.797,1188 3.759,1189 4.848,1190 3.766,1191 3.46,1192 3.517,1193 3.403,1194 3.205,1195 4.76,1196 3.244,1197 3.341,1198 3.415,1199 3.259,1200 3.1,1201 4.689,1202 3.125,1203 3.158,1204 3.259,1205 3.015,1206 2.978,1207 4.422,1208 2.973,1209 3.139,1210 3.228,1211 2.953,1212 2.9,1213 4.041,1214 2.915,1215 2.919,1216 2.99,1217 2.782,1218 2.764,1219 3.887,1220 2.756,1221 0.152,1222 0.115,1223 0.225,1224 0.138,1225 0.106,1226 4.726,1227 0.152,1228 3.563,1229 0.053,1230 6.97,1231 0.381,1232 4.264,1233 0.104,1234 3.287,1235 4.708,1236 1.656,1237 11.8,1238 3.214,1239 1.99,1240 1.968,1241 2.063,1242 2.078,1243 1.206,1244 2.074,1245 1.913,1246 1.884,1247 2.034,1248 2.012,1249 1.131,1250 2.019,1251 1.762,1252 1.728,1253 1.862,1254 1.906,1255 0.968,1256 1.896,1257 1.459,1258 1.374,1259 1.664,1260 1.759,1261 0.697,1262 1.729,1263 1.3,1264 1.243,1265 1.559,1266 1.586,1267 0.614,1268 1.559,1269 1.157,1270 1.088,1271 1.37,1272 1.399,1273 0.335,1274 1.42,1275 1.074,1276 0.983,1277 1.343,1278 1.379,1279 0.234,1280 1.391,1281 0.91,1282 0.85,1283 1.181,1284 1.105,1285 0.218,1286 1.119,1287 4.143,1289 5.476,1290 2.398,1291 6.999,1292 4.844,1293 8.609,1294 7.018,1295 10.267,1297 3.816,1301 6.07,1305 5.659,1314 31.531,1315 73.891,1316 179.349,1317 217.814,1318 241.814,1319 246.568,1320 248.568,1321 40.038,1322 7.671,1323 97.86,1324 97.86,1325 23,1326 12.615,1327 4.585,1328 3.7,1329 42.765,1330 126,1331 106,1332 0.17,1333 195.197,1334 324.57,1335 468.04,1336 24212,1338 19.673,1339 0.703,1340 0.557,1341 19.673,1342 15.601,1343 13.508,1344 0.436,1345 0.285,1346 8.706,1347 13.036,1348 8.434,1349 7.068,1350 13.508,1351 8.824,1352 12.521,1353 0.285,1354 0.15,1355 12.521,1356 6.616,1357 10.209,1358 0.176,1359 0.078,1360 10.209,1361 4.518,1362 9.128,1363 0.116,1364 0.04,1365 9.128,1366 3.198,1367 7.074,1368 0.074,1369 0.021,1370 7.074,1371 2.027,1372 0.273,1373 84.298,1374 0.22,1375 27.088,1376 0.45,1377 150,1378 416.649,1379 163.093,1380 415.497,1381 578.32,1382 388,1383 177,1384 441.915,1385 189.985,1386 452.369,1387 655.66,1388 424,1389 5.2}
{0 CHEMBL406845,1 1.582,2 7.333,3 3.296,4 10.86,5 86.005,6 8.157,7 0.696,8 3.72,9 3.854,10 3.368,11 3.275,12 4.862,13 3.251,14 4.226,15 4.412,16 3.803,17 3.671,18 5.316,19 3.64,20 4.453,21 4.639,22 3.858,23 3.818,24 5.558,25 3.761,26 4.641,27 4.913,28 3.797,29 3.816,30 5.658,31 3.733,32 4.428,33 4.646,34 3.641,35 3.74,36 5.448,37 3.665,38 4.383,39 4.573,40 3.663,41 3.724,42 5.511,43 3.63,44 4.532,45 4.807,46 3.355,47 3.636,48 5.514,49 3.45,50 4.333,51 4.683,52 3.049,53 3.261,54 5.087,55 2.965,56 0.053,57 0.588,58 6.808,59 2.98,60 8.371,61 4.021,62 0.144,63 0.917,64 13.648,65 5.148,66 18.435,67 7.134,68 0.19,69 1.112,70 18.609,71 5.95,72 20.085,73 8.202,74 0.404,75 1.213,76 26.712,77 7.692,78 42.191,79 11.175,80 0.222,81 1.069,82 16.76,83 5.492,84 23.398,85 7.848,86 0.136,87 1.011,88 15.633,89 5.908,90 22.989,91 8.292,92 0.335,93 0.98,94 23.161,95 6.84,96 45.809,97 9.92,98 0.291,99 0.612,100 25.064,101 7.507,102 38.867,103 11.156,104 27,105 35,106 0.285,107 0.661,108 0.708,109 0.727,110 0.727,111 0.727,112 3.105,113 0.915,114 -5.4,115 -5.28,116 -4.93,119 40.5,120 3,130 1,142 4,143 2,144 1,146 1,147 1,148 1,161 1,163 1,164 1,165 1,166 1,172 4,174 2,175 8,177 1,178 1,180 1,183 10,185 1,187 1,188 6,196 6,199 2,200 9,202 3,203 3,205 1,208 6,210 1,213 6,218 2,221 3,223 2,225 8,230 5,233 7,235 5,238 1,246 6,250 2,255 1,260 1,272 3,276 516,277 13.541,278 13.541,279 13.541,280 13.541,281 13.541,282 11.672,283 12.669,284 7.664,285 13.929,286 11.344,287 11.344,288 11.344,289 11.344,290 11.344,291 8.52,292 13.141,293 3.634,294 12.036,295 3.627,296 1.538,297 1.278,298 1.17,299 1.17,300 1.17,301 3.775,302 1,304 1,305 1,306 1,307 325,308 3.082,311 39.995,312 106.298,315 76.405,319 1.111,320 16.541,321 1,322 1,323 0.75,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.86,331 44.833,332 154,333 4.815,334 3.574,335 7.354,336 4.444,337 3.485,338 4.75,340 12.865,341 3.34,342 4.243,343 3.102,344 6.762,345 4.017,346 3.04,347 3.683,349 10.827,350 2.969,351 3.998,352 2.91,353 5.88,354 3.553,355 2.595,356 3.45,358 8.066,359 2.485,360 3.573,361 2.458,362 5.27,363 3.098,364 2.203,365 2.959,367 6.158,368 1.915,369 3.349,370 2.054,371 5.034,372 2.925,373 1.991,374 2.593,376 6.004,377 1.844,378 2.989,379 1.566,380 4.421,381 2.434,382 1.509,383 2.219,385 4.073,386 1.371,387 2.572,388 1.122,389 4.265,390 2.056,391 1.103,392 1.605,394 3.275,395 1.047,396 2.5,397 1.018,398 3.641,399 2,400 1,401 1.5,403 2.386,404 1,405 2.311,406 1,407 3.414,408 1.86,409 0.926,410 1.245,412 2.275,413 0.854,414 1.151,415 0.345,416 2.802,417 0.71,418 -0.161,419 -0.2,421 -0.363,422 -0.115,423 1.052,424 -0.157,425 2.625,426 0.577,427 -0.314,428 -0.407,430 -0.733,431 -0.275,432 0.642,433 -0.707,434 2.388,435 0.118,436 -0.796,437 -1,439 -2.273,440 -0.701,441 0.5,442 -0.851,443 2.162,445 -1,446 -1,448 -2.996,449 -0.885,450 0.209,451 -1,452 2,454 -1,455 -1.096,457 -3,458 -1,460 -1,461 2,463 -1,464 -1.276,466 -3,467 -1,468 10.214,469 0.486,470 0.796,471 0.038,472 28.25,473 1.345,474 14.5,475 0.69,476 13.75,477 0.655,478 17.468,479 0.832,480 22.186,481 0.6,482 18.871,483 0.899,484 5.274,485 0.251,486 4.602,487 0.219,488 0.256,489 0.049,490 0.333,496 0.765,497 1.268,498 0.617,499 0.935,500 1.006,501 0.882,502 0.657,503 1.077,504 0.528,505 0.762,506 0.488,507 0.701,508 1.234,509 1.349,510 1.04,511 1.127,512 0.921,513 1.099,514 0.883,515 0.767,516 0.728,517 0.699,518 0.83,519 0.718,520 1.233,521 1.066,522 0.836,523 0.913,524 1.002,525 1.028,526 0.861,527 1.469,528 0.898,529 1.347,530 0.903,531 1.348,532 1.169,533 0.902,534 1.047,535 1.05,536 1.679,537 1.217,538 0.183,539 0.645,540 0.639,541 0.867,542 0.36,543 0.834,544 5.5,546 3.111,547 2.035,548 1.981,549 1.063,550 0.509,551 0.324,552 0.172,553 0.016,554 3626,555 10675,556 2.006,557 43.2,559 4,561 1,562 2,564 9,567 1.64,568 1.813,569 2.839,570 0.378,571 1,572 1,574 1,577 58.537,578 1.582,579 3.672,580 3.932,581 4.04,582 4.04,583 4.04,584 2.258,585 3.559,586 4.363,587 2.972,588 624.059,589 7.52,590 6362.19,591 1,592 1,593 1,594 1,595 192.75,596 1.761,597 4.278,598 0.239,600 0.089,601 0.058,602 0.058,603 0.037,604 0.019,605 0.022,606 0.022,607 0.004,608 0.547,609 0.33,610 1,611 0.911,612 91.739,613 0.011,614 -0.06,615 0.021,616 -0.006,617 -0.208,618 0.014,619 0.196,620 0.032,621 0.216,622 0.176,623 0.258,624 0.229,625 -0.198,626 -0.231,627 -0.18,628 -0.21,629 -0.094,630 -0.206,631 0.106,632 0.205,633 0.123,634 0.218,635 0.128,636 0.237,637 -0.324,638 0.045,639 -0.186,640 -0.043,641 -0.203,642 -0.141,643 -0.066,644 -0.388,645 -0.19,646 -0.42,647 0.019,648 -0.424,649 -0.217,650 0.043,651 -0.179,652 -0.124,653 -0.47,654 -0.259,655 0.53,656 0.012,657 0.464,658 0.217,659 0.455,660 0.314,661 1.455,662 2.05,663 0.714,664 13.932,665 1.004,666 1.133,667 4.168,668 17.372,669 0.688,670 3.178,671 3.584,672 3.85,673 4.174,674 4.454,675 4.595,676 4.625,677 4.691,678 4.615,679 4.477,680 4.52,681 0.651,682 301.81,683 3.178,684 4.762,685 5.631,686 6.558,687 7.459,688 8.392,689 9.305,690 10.241,691 11.16,692 12.097,693 13.5,697 1,701 1,703 3,708 2,709 5,710 3,714 4,715 1,716 16,727 1,734 1,735 37,737 16,738 1,739 23,741 39,742 15,743 11,744 2,745 4,748 3,749 4,750 1,754 3,762 11,763 4,764 1,779 1,780 1,783 16,784 4,785 2,786 6,787 1,792 5,797 0.667,807 1,810 1,815 1,816 2,819 1,843 2,847 3,848 1,851 21,852 1,865 1,873 1,881 11.583,882 7.693,883 4.389,884 2.098,886 3.101,887 1.453,888 0.974,889 3.289,890 9.941,891 3.466,892 4.171,893 4.835,894 5.522,895 6.12,896 6.53,897 6.939,898 7.374,899 7.597,900 7.826,901 0.8,902 35,903 7.694,905 3.262,906 7.708,907 14.631,909 12.004,911 2.208,912 46.361,916 164.795,917 89.058,918 84.908,919 39.149,923 89.058,924 203.944,925 84.908,926 26.476,928 70.802,929 63.72,930 22.411,931 2.328,932 153.024,933 39.149,934 164.795,935 173.966,937 39.149,939 58.856,940 105.94,943 41.343,944 82.389,945 89.383,947 164.795,948 84.908,949 128.207,952 164.795,953 16.059,954 74.776,956 122.28,957 164.795,958 84.908,959 128.207,961 0.607,962 0.341,963 0.185,964 0.114,965 19,966 9,967 0.051,968 2,969 1,970 1.133,971 3.128,972 171.834,973 0.133,974 15,975 81.484,981 14.146,982 4.882,983 2.443,984 1.509,985 83.131,986 8.97,987 13.162,991 2.826,992 1.879,993 32.897,994 377.91,995 31,1007 37.134,1008 41.927,1009 0.304,1010 0.705,1011 0.755,1012 0.775,1013 0.775,1014 0.775,1015 4.736,1016 1,1017 5.7,1018 3.275,1019 4.263,1020 4.856,1022 6.624,1023 4.158,1024 6.016,1025 0.926,1026 7.34,1027 2.386,1028 4.205,1029 4.89,1031 7.923,1032 4.053,1033 7.379,1034 -0.161,1035 9.092,1036 2.275,1037 6.019,1038 7.198,1040 10.999,1041 5.838,1042 8.781,1043 -0.314,1044 10.91,1045 -0.363,1046 6.723,1047 8.03,1049 13.076,1050 6.508,1051 10.214,1052 -0.796,1053 12.77,1054 -0.733,1055 8.123,1056 9.872,1058 15.77,1059 7.879,1060 11.671,1061 -1,1062 14.659,1063 -2.273,1064 9.134,1065 11.086,1067 18.13,1068 8.855,1069 13.147,1070 -1,1071 16.568,1072 -2.996,1073 10.404,1074 12.744,1076 20.712,1077 10.091,1078 3.485,1079 -1,1080 18.492,1081 -3,1082 11.542,1083 14.143,1085 23.179,1086 11.19,1087 3.04,1088 12.865,1089 20.428,1090 -3,1091 12.774,1092 15.73,1094 25.728,1095 12.385,1096 2.595,1097 10.827,1098 22.374,1099 4.75,1100 13.965,1101 17.215,1103 28.239,1104 13.534,1105 2.203,1106 8.066,1107 24.326,1108 3.683,1109 15.19,1110 18.778,1112 30.78,1113 14.72,1114 1.991,1115 6.158,1116 26.284,1117 3.45,1118 16.404,1119 20.302,1121 33.309,1122 15.891,1123 1.509,1124 6.004,1125 28.247,1126 2.959,1127 17.632,1128 21.858,1130 35.851,1131 17.076,1132 1.103,1133 4.073,1134 30.214,1135 2.593,1136 18.858,1137 23.399,1139 38.39,1140 18.259,1141 3654,1142 6391,1143 14.622,1144 25.455,1145 36.44,1146 36.245,1147 37.299,1148 35.871,1149 35.704,1150 48.008,1152 111.858,1153 33.649,1154 5.496,1155 5.574,1156 6.882,1157 5.517,1158 5.485,1159 7.75,1161 20.8,1162 5.34,1163 12.122,1164 1.584,1165 1.576,1166 1.622,1167 1.56,1168 1.552,1169 2.087,1171 4.863,1172 1.463,1173 4.137,1174 4.185,1175 4.132,1176 4.002,1177 5.257,1178 4.022,1179 3.836,1180 3.865,1181 3.938,1182 3.755,1183 4.952,1184 3.757,1185 3.644,1186 3.712,1187 3.525,1188 3.501,1189 4.843,1190 3.494,1191 3.216,1192 3.298,1193 3.352,1194 3.009,1195 4.525,1196 3.031,1197 3.004,1198 3.112,1199 3.029,1200 2.735,1201 4.296,1202 2.743,1203 2.874,1204 3.009,1205 2.858,1206 2.707,1207 4.103,1208 2.715,1209 2.874,1210 3.009,1211 2.687,1212 2.623,1213 3.676,1214 2.625,1215 2.854,1216 2.925,1217 2.499,1218 2.618,1219 3.674,1220 2.57,1221 0.209,1222 0.155,1223 0.32,1224 0.193,1225 0.152,1226 4.815,1227 0.207,1228 3.574,1230 7.354,1231 0.559,1232 4.444,1233 0.145,1234 3.485,1235 4.75,1237 12.865,1238 3.34,1239 1.93,1240 1.909,1241 2.001,1242 2.044,1243 1.199,1244 2.026,1245 1.822,1246 1.771,1247 1.986,1248 1.983,1249 1.119,1250 1.988,1251 1.659,1252 1.607,1253 1.778,1254 1.829,1255 0.839,1256 1.831,1257 1.15,1258 1.096,1259 1.417,1260 1.408,1261 0.469,1262 1.374,1263 0.934,1264 0.821,1265 1.417,1266 1.239,1267 0.469,1268 1.308,1269 0.934,1270 0.804,1271 1.246,1272 1.239,1273 0.263,1274 1.308,1275 0.886,1276 0.804,1277 1.181,1278 1.212,1279 0.218,1280 1.201,1281 0.874,1282 0.782,1283 1.13,1284 1.062,1286 1.107,1287 3.85,1289 5.231,1290 2.398,1291 6.801,1292 4.844,1293 8.459,1294 7.096,1295 10.163,1297 6.218,1298 5.951,1301 6.05,1310 -0.205,1314 24.095,1315 58.537,1316 135.856,1317 145.466,1318 149.466,1319 149.466,1320 149.466,1321 30.257,1322 6.839,1323 69.62,1324 69.62,1325 17,1326 12.598,1327 4.087,1328 3.17,1329 31.846,1330 56,1331 65,1332 0.293,1333 154.288,1334 250.01,1335 368.223,1336 6856,1337 2.7,1338 15.198,1339 0.724,1340 0.614,1341 15.698,1342 12.887,1343 9.876,1344 0.429,1345 0.305,1346 6.586,1347 9.247,1348 6.249,1349 5.257,1350 10.165,1351 7.011,1352 10.041,1353 0.287,1354 0.181,1355 10.45,1356 6.332,1357 7.664,1358 0.167,1359 0.076,1360 7.953,1361 3.499,1362 6.533,1363 0.102,1364 0.037,1365 6.7,1366 2.378,1367 5.539,1368 0.065,1369 0.02,1370 5.753,1371 1.706,1372 0.431,1373 64.552,1374 0.262,1375 20.052,1376 0.9,1377 116,1378 312.096,1379 141.289,1380 342.233,1381 469.9,1382 318,1383 139,1384 343.508,1385 159.722,1386 360.731,1387 528.56,1388 337,1389 5.6}
{0 CHEMBL411903,1 1.856,2 13.576,3 3.544,4 12.556,5 116.173,6 9.189,7 0.5,8 4.06,9 4.181,10 3.769,11 3.544,12 5.363,13 3.592,14 4.57,15 4.718,16 4.218,17 3.916,18 6.283,19 3.953,20 4.813,21 4.998,22 4.275,23 4.068,24 6.197,25 4.091,26 4.88,27 5.087,28 4.169,29 4.012,30 6.256,31 4.023,32 4.82,33 5.028,34 4.14,35 3.945,36 6.28,37 3.954,38 4.779,39 5.003,40 4.014,41 3.862,42 6.357,43 3.846,44 4.611,45 4.839,46 3.908,47 3.73,48 6.205,49 3.712,50 4.461,51 4.683,52 3.697,53 3.617,54 5.778,55 3.598,56 0.308,57 1.108,58 6.406,59 3.891,60 44.391,61 3.952,62 1.043,63 1.997,64 13.63,65 6.863,66 155.607,67 7.317,68 0.913,69 1.978,70 19.922,71 8.346,72 97.203,73 9.507,74 1.193,75 1.943,76 24.525,77 9.183,78 156.614,79 9.949,80 1.237,81 1.724,82 23.878,83 8.111,84 159.921,85 9.652,86 1.473,87 1.869,88 25.301,89 8.437,90 237.541,91 9.973,92 1.126,93 1.302,94 21.447,95 6.793,96 160.416,97 9.116,98 0.78,99 1.242,100 17.425,101 6.508,102 102.919,103 7.594,104 38,105 52,106 0.309,107 0.687,108 0.806,109 0.871,110 0.878,111 0.878,112 3.531,113 0.806,114 -4.68,115 -4.6,116 -4.33,119 42,121 1,125 1,132 1,142 7,143 2,144 4,147 2,148 1,157 1,159 1,163 1,164 1,165 1,172 7,174 1,175 2,177 1,178 4,179 1,180 4,183 7,187 2,188 2,190 1,191 2,193 4,196 5,200 6,202 1,203 2,204 1,205 6,207 1,208 2,213 7,218 8,223 2,225 6,228 1,230 7,233 2,235 2,238 4,243 2,246 6,248 2,249 1,250 1,253 1,254 1,255 1,258 7,267 2,268 1,271 1,272 4,276 1852,277 21.643,278 21.643,279 21.643,280 21.643,281 21.643,282 19.078,283 29.523,284 12.486,285 22.308,286 17.761,287 17.761,288 17.761,289 17.761,290 17.761,291 13.853,292 42.357,293 5.928,294 18.944,295 3.788,296 1.52,297 0.808,298 0.415,299 0.375,300 0.375,301 4.224,305 1,306 1,307 963,308 3.937,312 329.088,313 105.72,317 176.065,319 2.185,320 63.291,323 1,324 0.83,325 1,326 0.4,328 1,329 1,330 0.75,331 76.5,332 448,333 4.483,334 4.461,335 7.119,336 4.194,337 3.328,338 4.09,339 3.825,340 11.704,341 2.935,342 4.43,343 3.574,344 6.494,345 4.013,346 3.059,347 3.996,348 1.656,349 10.133,350 2.922,351 4.165,352 3.318,353 6.1,354 3.779,355 2.82,356 3.756,357 0.986,358 8.892,359 2.72,360 4.067,361 3.094,362 6.055,363 3.709,364 2.763,365 3.355,366 0.4,367 8.723,368 2.548,369 3.811,370 2.928,371 5.457,372 3.444,373 2.483,374 3.16,375 0.247,376 7.284,377 2.365,378 3.445,379 2.503,380 5.037,381 3.017,382 2.041,383 2.664,385 5.705,386 1.981,387 3.314,388 2.218,389 4.822,390 2.933,391 2.005,392 2.558,394 5.473,395 1.851,396 3.025,397 2.047,398 4.592,399 2.541,400 1.59,401 2.204,403 4.627,404 1.513,405 2.911,406 1.802,407 4.412,408 2.477,409 1.567,410 2.024,412 4.324,413 1.386,414 2.812,415 1.754,416 4.109,417 2.361,418 1.422,419 1.924,421 3.606,422 1.329,423 2.755,424 1.592,425 4.017,426 2.342,427 1.366,428 1.821,430 3.417,431 1.317,432 2.5,433 1.316,434 3.478,435 2.043,436 1.117,437 1.5,439 2.533,440 1.032,441 2.362,442 1,443 3.414,444 2,445 1,446 1.323,448 2.275,449 1,450 1.476,451 0.739,452 3.031,453 1.187,454 0.261,455 0.302,457 0.657,458 0.239,459 1.395,460 0.595,461 2.873,462 1.07,463 0.141,464 0.164,466 0.34,467 0.129,468 14.776,469 0.448,470 1.055,471 0.032,472 46,473 1.394,474 23.5,475 0.712,476 22.5,477 0.682,478 24.674,479 0.748,480 36.224,481 0.724,482 39.993,483 1.212,484 9.363,485 0.284,486 6.339,487 0.192,488 0.127,489 0.034,490 0.338,493 3,494 1,496 0.67,497 1.03,498 0.623,499 0.963,500 0.623,501 0.815,502 0.451,503 0.834,504 0.648,505 1.003,506 0.421,507 0.96,508 0.732,509 0.935,510 0.841,511 1.036,512 0.646,513 1.006,514 1.07,515 1.052,516 1.147,517 1.121,518 1.008,519 1.148,520 0.819,521 0.817,522 0.987,523 0.983,524 0.844,525 1.04,526 0.77,527 0.756,528 1.02,529 0.975,530 0.755,531 1.073,532 0.469,533 0.666,534 0.777,535 0.844,536 0.426,537 0.925,538 0.881,539 0.897,540 1.04,541 1.017,542 0.874,543 1.081,544 8.5,545 0.214,546 4.444,547 2.375,548 1.969,549 1.372,550 0.74,551 0.364,552 0.375,553 0.258,554 16765,555 65336,556 2.036,557 34,559 9,561 1,562 5,563 2,567 1.747,568 1.877,569 3.696,570 2.431,572 1,577 92.816,578 1.856,579 4.124,580 4.836,581 5.229,582 5.269,583 5.269,584 3.101,585 4.574,586 5.021,587 3.926,588 2072.83,589 8.758,590 32386.4,595 282.193,596 1.628,597 4.954,598 0.236,599 0.008,600 0.085,601 0.042,602 0.041,603 0.03,604 0.019,605 0.01,606 0.013,607 0.009,608 0.494,609 0.17,610 1,611 0.753,612 178.052,613 -0.107,614 -0.096,615 -0.012,616 0.029,617 -0.107,618 0.064,619 0.338,620 0.179,621 0.109,622 -0.006,623 0.332,624 -0.056,625 -0.041,626 -0.094,627 -0.006,628 -0.083,629 -0.001,630 -0.047,631 -0.178,632 -0.117,633 -0.197,634 -0.149,635 -0.135,636 -0.164,637 0.018,638 0.005,639 -0.028,640 -0.035,641 -0.004,642 -0.047,643 0.127,644 0.1,645 0.008,646 0.003,647 0.154,648 -0.031,649 0.283,650 0.073,651 0.234,652 0.11,653 0.304,654 0.137,655 -0.063,656 -0.028,657 -0.054,658 -0.02,659 -0.084,660 -0.026,661 5.913,662 5.837,663 0.697,664 35.64,665 1.046,666 1.159,667 3.454,668 11.932,669 0.671,670 3.611,671 3.97,672 4.19,673 4.407,674 4.654,675 4.745,676 4.787,677 4.836,678 4.956,679 5.056,680 8.239,681 0.682,682 459.45,683 3.611,684 5.176,685 6.019,686 6.903,687 7.762,688 8.644,689 9.509,690 10.39,691 11.257,692 12.136,693 14,697 1,698 1,700 2,702 1,703 2,709 8,710 2,714 8,716 18,719 1,727 1,728 1,734 1,735 50,737 20,738 2,739 36,741 53,742 21,743 16,744 5,745 7,746 1,748 4,749 5,753 1,754 1,757 1,759 1,760 1,762 18,763 3,767 2,772 1,775 1,776 2,780 1,781 4,783 17,784 12,785 5,786 12,792 7,797 0.75,798 1,810 1,816 3,817 1,821 1,843 3,849 4,851 33,852 1,858 2,860 3,865 1,873 4,874 2,877 1,881 17.583,882 8.838,883 7.028,884 2.726,886 3.78,887 1.47,888 1.021,889 6.277,890 11.829,891 3.871,892 4.483,893 5.012,894 5.553,895 6.093,896 6.305,897 6.583,898 6.88,899 7.237,900 7.6,901 0.889,902 56,903 12.793,905 6.167,906 8.422,907 21.852,909 17.748,911 2.922,912 96.417,915 1,916 141.253,917 122.803,918 137.286,920 25.145,921 59.84,923 122.803,924 166.398,925 197.126,927 40.662,928 99.231,929 91.255,930 94.047,931 23.892,932 129.482,933 7.76,934 141.253,935 260.089,936 84.985,939 156.213,940 70.025,943 73.825,944 134.682,945 51.582,947 201.094,948 162.431,949 122.803,952 149.013,953 40.091,954 74.952,955 54.032,956 168.239,957 141.253,958 222.271,959 122.803,961 0.597,962 0.336,963 0.17,964 0.097,965 25,966 12,967 0.057,968 3,969 1,970 1.087,971 4.352,972 300.128,973 0.087,974 23,975 157.71,981 22.654,982 9.143,983 5.278,985 222.271,986 9.719,987 8.066,991 -0.32,993 86.929,994 486.328,995 47,1000 12.172,1003 4.564,1004 -0.166,1007 52.276,1008 57.963,1009 0.329,1010 0.731,1011 0.857,1012 0.926,1013 0.934,1014 0.934,1015 5.133,1016 1.59,1017 6.047,1018 5.473,1019 4.654,1020 5.17,1021 3.329,1022 6.882,1023 4.531,1024 6.368,1025 1.567,1026 7.634,1027 4.627,1028 4.443,1029 5.056,1030 3.949,1031 7.991,1032 4.178,1033 7.695,1034 1.422,1035 9.327,1036 4.324,1037 6.323,1038 7.353,1039 5.473,1040 10.991,1041 6.064,1042 9.055,1043 1.366,1044 11.084,1045 3.606,1046 6.878,1047 7.971,1048 6.701,1049 12.891,1050 6.463,1051 10.441,1052 1.117,1053 12.882,1054 3.417,1055 8.294,1056 9.799,1057 8.066,1058 15.476,1059 7.866,1060 11.847,1061 1,1062 14.709,1063 2.533,1064 9.185,1065 10.767,1066 9.391,1067 17.687,1068 8.609,1069 13.267,1070 0.261,1071 16.558,1072 2.275,1073 10.43,1074 12.385,1075 10.736,1076 20.15,1077 9.812,1078 3.328,1079 0.141,1080 18.423,1081 0.657,1082 11.471,1083 13.537,1084 12.075,1085 22.489,1086 10.717,1087 3.059,1088 11.704,1089 20.302,1090 0.34,1091 12.656,1092 15.047,1093 13.417,1094 24.921,1095 11.834,1096 2.82,1097 10.133,1098 22.191,1099 4.09,1100 13.764,1101 16.301,1102 14.758,1103 27.314,1104 12.818,1105 2.763,1106 8.892,1107 24.089,1108 3.996,1109 14.933,1110 17.755,1111 16.1,1112 29.744,1113 13.899,1114 2.483,1115 8.723,1116 25.995,1117 3.756,1118 16.073,1119 19.067,1120 17.441,1121 32.164,1122 14.92,1123 2.041,1124 7.284,1125 27.907,1126 3.355,1127 17.24,1128 20.49,1129 18.783,1130 34.599,1131 15.987,1132 2.005,1133 5.705,1134 29.825,1135 3.16,1136 18.398,1137 21.835,1138 20.124,1139 37.033,1140 17.028,1141 15971,1142 31816,1143 23.463,1144 33.574,1145 54.734,1146 54.79,1147 55.384,1148 54.137,1149 53.927,1150 69.678,1151 14.229,1152 159.386,1153 50.531,1154 5.386,1155 6.461,1156 6.695,1157 5.267,1158 5.328,1159 7.09,1160 5.335,1161 18.7,1162 4.935,1163 19.171,1164 1.52,1165 1.522,1166 1.538,1167 1.504,1168 1.498,1169 1.935,1170 0.395,1171 4.427,1172 1.404,1173 4.015,1174 4.056,1175 3.976,1176 3.912,1177 8.513,1178 3.919,1179 3.94,1180 3.972,1181 3.911,1182 3.845,1183 8.201,1184 3.853,1185 3.84,1186 3.884,1187 3.797,1188 3.689,1189 7.999,1190 3.714,1191 3.525,1192 3.589,1193 3.476,1194 3.334,1195 7.999,1196 3.346,1197 3.431,1198 3.487,1199 3.376,1200 3.149,1201 7.431,1202 3.201,1203 3.29,1204 3.335,1205 3.265,1206 2.986,1207 5.215,1208 3.043,1209 3.107,1210 3.192,1211 3.027,1212 2.864,1213 4.81,1214 2.891,1215 2.92,1216 3.03,1217 2.78,1218 2.735,1219 4.715,1220 2.715,1221 0.125,1222 0.124,1223 0.198,1224 0.117,1225 0.092,1226 4.483,1227 0.114,1228 4.461,1229 0.106,1230 7.119,1231 0.325,1232 4.194,1233 0.082,1234 3.328,1235 4.09,1236 3.825,1237 11.704,1238 2.935,1239 1.931,1240 1.904,1241 2.027,1242 2.042,1243 1.186,1244 2.034,1245 1.892,1246 1.869,1247 1.969,1248 2.001,1249 1.086,1250 1.99,1251 1.746,1252 1.696,1253 1.825,1254 1.955,1255 1.011,1256 1.924,1257 1.557,1258 1.495,1259 1.759,1260 1.762,1261 0.786,1262 1.766,1263 1.276,1264 1.229,1265 1.4,1266 1.591,1267 0.372,1268 1.536,1269 1.069,1270 1.031,1271 1.227,1272 1.413,1273 0.261,1274 1.322,1275 1.005,1276 0.937,1277 1.181,1278 1.317,1279 0.218,1280 1.284,1281 0.886,1282 0.821,1283 1.161,1284 1.223,1285 0.193,1286 1.211,1287 4.29,1289 5.638,1291 7.163,1292 2.708,1293 8.767,1294 5.198,1295 10.41,1299 52.316,1301 5.895,1303 1.158,1305 7.675,1310 -4.663,1314 34.085,1315 92.816,1316 206.177,1317 241.786,1318 261.438,1319 263.438,1320 263.438,1321 86.806,1322 8.048,1323 117.32,1324 117.32,1325 25,1326 12.675,1327 4.392,1328 3.585,1329 54.756,1330 168,1331 124,1332 0.159,1333 206.784,1334 370.75,1335 496.312,1336 40764,1337 8,1338 23.587,1339 0.715,1340 0.511,1341 20.217,1342 16.872,1343 15.703,1344 0.436,1345 0.269,1346 9.45,1347 14.801,1348 9.38,1349 7.694,1350 14.081,1351 9.676,1352 15.23,1353 0.293,1354 0.135,1355 12.754,1356 7.04,1357 11.882,1358 0.183,1359 0.073,1360 10.37,1361 4.769,1362 9.524,1363 0.118,1364 0.039,1365 8.819,1366 3.159,1367 7.903,1368 0.076,1369 0.021,1370 6.961,1371 2.135,1372 0.257,1373 100.784,1374 0.206,1375 31.128,1376 0.414,1377 176,1378 803.426,1379 211.745,1380 671.404,1381 874.33,1382 620,1383 205,1384 616.758,1385 233.493,1386 597.711,1387 892.07,1388 561,1389 6.5}
{0 CHEMBL412142,1 1.661,2 13.563,3 4.476,4 20.037,5 127.573,6 9.308,7 0.657,8 4.031,9 4.15,10 3.783,11 3.618,12 5.253,13 3.614,14 4.506,15 4.669,16 4.157,17 3.988,18 5.692,19 3.96,20 4.719,21 4.915,22 4.213,23 4.086,24 5.87,25 4.031,26 4.722,27 4.931,28 4.264,29 4.039,30 5.931,31 3.982,32 4.673,33 4.877,34 4.132,35 4.021,36 5.786,37 3.966,38 4.709,39 4.91,40 4.217,41 4.022,42 5.874,43 3.963,44 4.73,45 4.956,46 4.098,47 4.016,48 5.803,49 3.927,50 4.64,51 4.849,52 4.034,53 3.931,54 5.756,55 3.826,56 0.094,57 0.803,58 6.356,59 3.566,60 10.965,61 4.162,62 0.287,63 1.232,64 13.547,65 6.172,66 22.654,67 7.522,68 0.391,69 1.401,70 23.921,71 8.087,72 39.332,73 9.802,74 0.596,75 1.409,76 27.937,77 7.681,78 59.168,79 9.131,80 0.363,81 1.367,82 20.548,83 7.754,84 37.34,85 9.715,86 0.514,87 1.365,88 22.976,89 7.851,90 42.745,91 9.862,92 0.472,93 1.346,94 25.84,95 8.408,96 48.201,97 10.353,98 0.462,99 1.166,100 26.56,101 8.236,102 49.169,103 10.342,104 18,105 48,106 0.274,107 0.668,108 0.825,109 0.89,110 0.903,111 0.903,112 3.502,113 0.898,114 -4.42,115 -4.35,116 -4.1,119 44,120 1,125 2,142 5,143 3,144 2,145 2,146 2,147 1,150 1,151 1,158 1,161 1,172 4,174 1,175 8,178 4,180 2,183 9,188 3,192 1,193 2,196 4,199 3,200 6,203 2,205 4,208 7,213 2,216 3,218 3,225 9,228 2,229 1,230 7,233 2,237 2,238 2,243 3,246 1,250 4,255 4,258 3,264 4,267 2,268 1,269 3,272 2,276 2024,277 21.748,278 21.748,279 21.748,280 21.748,281 21.748,282 18.859,283 22.72,284 12.874,285 22.433,286 17.219,287 17.219,288 17.219,289 17.219,290 17.219,291 12.825,292 29.273,293 6.078,294 18.454,295 3.983,296 1.6,297 0.647,298 0.255,299 0.175,300 0.175,301 4.198,302 2,305 1,306 1,307 937,308 3.162,311 96.051,312 344.613,319 1.93,320 29.987,323 1,324 0.83,325 1,326 0.4,328 1,329 1,330 0.75,331 68.667,332 434,333 4.554,334 4.057,335 6.791,336 4.158,337 3.195,338 4.273,339 2.035,340 11.19,341 3.074,342 4.168,343 3.32,344 6.086,345 3.709,346 2.776,347 3.814,348 0.4,349 8.758,350 2.574,351 4.101,352 3.008,353 5.481,354 3.614,355 2.651,356 3.689,357 0.4,358 7.338,359 2.558,360 3.914,361 2.738,362 5.455,363 3.431,364 2.518,365 3.486,367 7.203,368 2.288,369 3.663,370 2.719,371 5.186,372 3.186,373 2.252,374 2.917,376 6.392,377 2.113,378 3.57,379 2.632,380 5.107,381 3.134,382 2.188,383 2.885,385 6.268,386 2.05,387 3.397,388 2.382,389 4.981,390 2.963,391 2.05,392 2.693,394 5.779,395 1.804,396 2.979,397 2.275,398 4.629,399 2.506,400 1.619,401 2.131,403 4.521,404 1.402,405 2.965,406 1.947,407 4.101,408 2.383,409 1.446,410 1.788,412 3.402,413 1.295,414 2.708,415 1.609,416 3.796,417 2.173,418 1.222,419 1.616,421 2.982,422 1.149,423 2.578,424 1.335,425 3.611,426 2.027,427 1.088,428 1.514,430 2.785,431 1.011,432 2.5,433 1.133,434 3.414,435 1.959,436 1,437 1.5,439 2.275,440 0.956,441 2.476,442 1,443 3.27,444 1.631,445 0.717,446 1.084,448 1.697,449 0.654,450 2.185,451 0.83,452 3.051,453 1.571,454 0.644,455 1.027,457 1.309,458 0.596,459 1.66,460 0.694,461 2.853,462 1.292,463 0.371,464 0.485,466 0.653,467 0.341,468 15.629,469 0.488,470 0.729,471 0.023,472 47.75,473 1.492,474 26,475 0.813,476 21.75,477 0.68,478 24.454,479 0.764,480 32.371,481 0.647,482 35.275,483 1.102,484 9.343,485 0.292,486 6.186,487 0.193,488 0.149,490 0.32,496 0.841,497 1.332,498 0.547,499 0.856,500 0.592,501 0.786,502 0.766,503 1.013,504 0.637,505 0.814,506 0.526,507 0.827,508 1.16,509 1.138,510 0.973,511 0.952,512 0.86,513 0.942,514 1.103,515 0.884,516 0.901,517 0.838,518 1.016,519 0.912,520 0.91,521 1.122,522 0.762,523 0.936,524 0.776,525 0.951,526 0.749,527 1.142,528 0.844,529 1.122,530 0.559,531 1.084,532 1.196,533 0.947,534 1.013,535 0.903,536 0.944,537 0.989,538 0.951,539 1.137,540 1.194,541 1.289,542 0.983,543 1.237,544 6.5,545 0.197,546 3.333,547 1.847,548 1.614,549 1.167,550 0.727,551 0.58,552 0.246,553 0.253,554 15060,555 50404,556 2.082,557 36,559 9,560 1,561 2,562 3,563 3,567 1.744,568 1.959,569 3.657,570 0.915,572 1,577 83.027,578 1.661,579 4.044,580 4.997,581 5.389,582 5.469,583 5.469,584 3.082,585 4.601,586 4.965,587 3.869,588 1918.85,589 8.688,590 28948,595 282.193,596 1.366,597 4.936,598 0.186,599 0.008,600 0.069,601 0.038,602 0.036,603 0.026,604 0.017,605 0.015,606 0.007,607 0.009,608 0.411,609 0.17,610 0.88,611 0.688,612 170.084,613 -0.123,614 -0.193,615 0.003,616 -0.022,617 -0.032,618 0.013,619 0.068,620 0.079,621 0.048,622 0.063,623 0.068,624 0.036,625 -0.18,626 -0.121,627 -0.053,628 -0.006,629 -0.072,630 -0.005,631 -0.01,632 0.162,633 0.043,634 0.085,635 -0.031,636 0.004,637 -0.028,638 -0.101,639 0.024,640 -0.01,641 -0.039,642 -0.008,643 0.217,644 -0.128,645 0.042,646 -0.184,647 0.129,648 -0.142,649 -0.181,650 0.034,651 -0.04,652 0.071,653 -0.136,654 -0.004,655 0.059,656 -0.209,657 -0.083,658 -0.263,659 -0.045,660 -0.216,661 1.215,662 2.842,663 0.719,664 37.266,665 1.015,666 1.127,667 3.188,668 10.165,669 0.727,670 3.584,671 3.892,672 4.143,673 4.394,674 4.615,675 4.7,676 4.779,677 4.883,678 4.92,679 4.942,680 7.821,681 0.7,682 465.38,683 3.584,684 5.118,685 5.958,686 6.828,687 7.688,688 8.564,689 9.434,690 10.315,691 11.191,692 12.076,693 16,698 2,701 1,702 1,703 4,709 8,710 4,711 1,714 10,716 23,718 1,728 2,734 2,735 50,737 24,738 1,739 35,741 53,742 22,743 18,744 3,745 3,748 4,749 4,750 2,754 1,761 1,762 18,763 3,780 1,783 18,784 7,785 3,786 10,787 2,789 1,792 8,797 1,809 1,810 1,815 1,816 3,843 4,847 1,848 2,851 32,858 2,860 2,866 1,870 1,872 1,873 2,881 16.333,882 9.452,883 7.111,884 2.86,886 3.486,887 1.456,888 1.005,889 6.866,890 11.125,891 3.902,892 4.497,893 5.091,894 5.669,895 6.185,896 6.481,897 6.834,898 7.178,899 7.487,900 7.724,901 0.889,902 48,903 11.694,905 4.891,906 7.809,907 21.977,909 17.506,911 2.309,912 73.889,916 176.567,917 132.788,918 151.009,919 78.297,923 132.788,924 254.864,925 151.009,926 8.825,927 4.211,928 56.429,929 145.635,930 88.011,931 15.998,932 141.253,933 78.297,934 176.567,935 283.797,937 78.297,939 176.567,943 88.717,944 91.916,945 181.461,947 176.567,948 151.009,949 211.086,952 176.567,953 32.838,954 83.349,955 69.409,956 176.499,957 176.567,958 151.009,959 211.086,961 0.576,962 0.333,963 0.178,964 0.099,965 22,966 10,967 0.132,968 7,970 1,971 4.376,972 285.182,974 23,975 160,981 22.04,982 9.969,983 5.373,985 134.223,986 13.799,987 17.818,988 3.143,991 6.294,993 52.807,994 538.661,995 48.5,1007 50.763,1008 56.366,1009 0.294,1010 0.716,1011 0.885,1012 0.955,1013 0.969,1014 0.969,1015 5.128,1016 1.619,1017 5.932,1018 5.779,1019 4.575,1020 5.185,1021 2.295,1022 6.715,1023 4.441,1024 6.345,1025 1.446,1026 7.473,1027 4.521,1028 4.111,1029 4.913,1031 7.564,1032 3.886,1033 7.647,1034 1.222,1035 9.11,1036 3.402,1037 6.142,1038 7.383,1039 3.566,1040 10.657,1041 5.906,1042 8.983,1043 1.088,1044 10.806,1045 2.982,1046 6.494,1047 7.933,1049 12.372,1050 6.187,1051 10.349,1052 1,1053 12.542,1054 2.785,1055 7.978,1056 9.839,1057 4.962,1058 15,1059 7.655,1060 11.735,1061 0.717,1062 14.308,1063 2.275,1064 8.719,1065 10.787,1067 17.101,1068 8.342,1069 13.138,1070 0.644,1071 16.096,1072 1.697,1073 9.982,1074 12.441,1075 6.378,1076 19.58,1077 9.582,1078 3.195,1079 0.371,1080 17.903,1081 1.309,1082 10.92,1083 13.602,1085 21.856,1086 10.476,1087 2.776,1088 11.19,1089 19.726,1090 0.653,1091 12.094,1092 15.136,1093 7.797,1094 24.286,1095 11.623,1096 2.651,1097 8.758,1098 21.563,1099 4.273,1100 13.132,1101 16.415,1103 26.638,1104 12.624,1105 2.518,1106 7.338,1107 23.411,1108 3.814,1109 14.276,1110 17.891,1111 9.217,1112 29.054,1113 13.738,1114 2.252,1115 7.203,1116 25.269,1117 3.689,1118 15.365,1119 19.237,1121 31.439,1122 14.793,1123 2.188,1124 6.392,1125 27.135,1126 3.486,1127 16.502,1128 20.687,1129 10.638,1130 33.852,1131 15.899,1132 2.05,1133 6.268,1134 29.009,1135 2.917,1136 17.619,1137 22.071,1139 36.252,1140 16.982,1141 14375,1142 26474,1143 23.463,1144 36.33,1145 53.262,1146 54.926,1147 53.339,1148 51.806,1149 51.593,1150 69.957,1151 5.669,1152 145.392,1153 47.82,1154 5.45,1155 6.057,1156 6.476,1157 5.23,1158 5.195,1159 7.273,1160 4.069,1161 18.574,1162 5.074,1163 15.593,1164 1.522,1165 1.569,1166 1.524,1167 1.48,1168 1.474,1169 1.999,1170 0.162,1171 4.154,1172 1.366,1173 4.048,1174 4.091,1175 4.125,1176 3.95,1177 6.82,1178 3.956,1179 3.898,1180 3.944,1181 3.926,1182 3.786,1183 5.101,1184 3.796,1185 3.863,1186 3.899,1187 3.853,1188 3.741,1189 4.973,1190 3.754,1191 3.694,1192 3.756,1193 3.683,1194 3.506,1195 4.868,1196 3.529,1197 3.498,1198 3.568,1199 3.568,1200 3.326,1201 4.842,1202 3.328,1203 3.185,1204 3.253,1205 3.385,1206 3,1207 4.623,1208 3.026,1209 3.063,1210 3.167,1211 3.144,1212 2.854,1213 4.193,1214 2.835,1215 2.933,1216 2.985,1217 3.053,1218 2.832,1219 4.107,1220 2.832,1221 0.13,1222 0.116,1223 0.194,1224 0.119,1225 0.091,1226 4.554,1227 0.122,1228 4.057,1229 0.058,1230 6.791,1231 0.32,1232 4.158,1233 0.088,1234 3.195,1235 4.273,1236 2.035,1237 11.19,1238 3.074,1239 1.942,1240 1.924,1241 1.984,1242 2.047,1243 1.132,1244 2.033,1245 1.849,1246 1.812,1247 1.946,1248 1.989,1249 1.084,1250 1.98,1251 1.7,1252 1.662,1253 1.805,1254 1.846,1255 0.915,1256 1.845,1257 1.549,1258 1.488,1259 1.769,1260 1.753,1261 0.832,1262 1.758,1263 1.516,1264 1.443,1265 1.71,1266 1.718,1267 0.808,1268 1.727,1269 1.226,1270 1.146,1271 1.402,1272 1.524,1273 0.377,1274 1.496,1275 1.079,1276 1.022,1277 1.233,1278 1.304,1279 0.283,1280 1.285,1281 0.876,1282 0.837,1283 1.106,1284 1.107,1285 0.173,1286 1.109,1287 4.263,1289 5.572,1290 2.398,1291 7.069,1292 4.595,1293 8.654,1294 6.555,1295 10.29,1297 1.904,1298 12.536,1303 1.132,1305 6.376,1312 8.842,1313 2.044,1314 34.987,1315 83.027,1316 202.177,1317 249.828,1318 269.438,1319 273.438,1320 273.438,1321 51.222,1322 7.639,1323 115.2,1324 115.2,1325 23,1326 12.611,1327 4.644,1328 3.858,1329 51.963,1330 145,1331 188,1332 0.167,1333 225.192,1334 380.22,1335 541.229,1336 21903,1337 4,1338 22.501,1339 0.703,1340 0.579,1341 23.501,1342 18.537,1343 15.529,1344 0.444,1345 0.299,1346 9.652,1347 14.422,1348 9.367,1349 7.767,1350 16.107,1351 10.476,1352 13.824,1353 0.288,1354 0.161,1355 14.603,1356 7.712,1357 11.471,1358 0.185,1359 0.082,1360 12.065,1361 5.091,1362 9.419,1363 0.118,1364 0.044,1365 10.155,1366 3.506,1367 7.411,1368 0.074,1369 0.022,1370 7.812,1371 2.233,1372 0.267,1373 102.967,1374 0.206,1375 30.301,1376 0.446,1377 166,1378 509.631,1379 210.721,1380 567.224,1381 759.56,1382 528,1383 193,1384 519.049,1385 228.513,1386 548.902,1387 796.21,1388 516,1389 5.1}
{0 CHEMBL413779,1 1.836,2 11.667,3 2.6,4 6.762,5 106.798,6 8.678,7 0.375,8 4.039,9 4.136,10 3.71,11 3.485,12 5.262,13 3.517,14 4.562,15 4.705,16 4.049,17 3.826,18 5.777,19 3.835,20 4.824,21 5.01,22 4.208,23 3.963,24 6.048,25 3.963,26 4.816,27 4.991,28 4.223,29 4.012,30 6.058,31 3.999,32 4.909,33 5.084,34 4.263,35 4.096,36 6.146,37 4.07,38 4.987,39 5.167,40 4.325,41 4.139,42 6.248,43 4.112,44 4.999,45 5.186,46 4.254,47 4.179,48 6.2,49 4.136,50 4.95,51 5.17,52 4.057,53 4.031,54 6.154,55 3.953,56 0.225,57 0.723,58 8.126,59 4.15,60 23.132,61 4.713,62 0.657,63 1.061,64 17.948,65 6.989,66 53.211,67 8.235,68 1.098,69 1.252,70 29.908,71 8.828,72 93.052,73 10.885,74 0.944,75 1.29,76 27.345,77 9.037,78 74.84,79 11.346,80 1.072,81 1.406,82 31.927,83 9.887,84 93.559,85 12.273,86 1.301,87 1.492,88 35.389,89 10.372,90 118.391,91 12.9,92 1.143,93 1.563,94 34.759,95 10.59,96 111.151,97 13.529,98 1.072,99 1.376,100 34.758,101 10.09,102 125.805,103 13.397,104 23,105 42,106 0.31,107 0.663,108 0.785,109 0.871,110 0.891,111 0.904,112 3.441,113 0.906,114 -1.97,115 -2.02,116 -2.02,119 38,121 3,125 4,142 2,144 4,145 1,146 1,147 2,158 1,159 1,172 2,174 1,175 4,178 3,179 1,180 1,183 2,187 3,188 5,191 3,193 1,196 2,199 4,200 4,203 2,205 2,208 1,212 2,213 4,216 3,218 3,221 2,224 2,225 6,228 2,230 5,233 2,237 2,238 6,241 2,243 3,246 2,249 2,250 8,253 1,254 1,258 1,263 1,264 1,269 1,272 1,276 1178,277 20.516,278 20.516,279 20.516,280 20.516,281 20.516,282 18.769,283 28.198,284 12.605,285 21.286,286 15.746,287 15.746,288 15.746,289 15.746,290 15.746,291 12.88,292 37.762,293 5.923,294 17.076,295 3.807,296 1.711,297 0.99,298 0.48,299 0.36,300 0.28,301 4.127,302 1,305 1,306 1,307 735,308 2.828,312 117.125,319 1.8,320 44.49,323 1,324 0.83,325 1,326 1,327 1,328 1,329 1,330 0.98,331 67.833,332 350,333 4.388,334 4.073,335 6.322,336 3.965,337 3.027,338 4.066,339 2.035,340 9.686,341 2.826,342 4.316,343 3.578,344 6.175,345 3.84,346 2.911,347 3.961,348 1.656,349 9.185,350 2.7,351 3.844,352 3.327,353 5.817,354 3.471,355 2.542,356 3.162,357 0.86,358 7.907,359 2.355,360 3.695,361 3.042,362 5.407,363 3.282,364 2.361,365 3,366 0.86,367 7.086,368 2.136,369 3.426,370 2.889,371 4.859,372 2.92,373 1.974,374 2.564,375 0.86,376 5.544,377 1.855,378 3.207,379 2.371,380 4.541,381 2.817,382 1.855,383 2.229,384 0.247,385 4.677,386 1.783,387 3.061,388 2.347,389 4.409,390 2.64,391 1.727,392 2.181,394 4.369,395 1.545,396 2.835,397 2.097,398 3.904,399 2.516,400 1.609,401 1.797,403 3.599,404 1.437,405 2.736,406 2.006,407 3.74,408 2.344,409 1.418,410 1.517,412 3.012,413 1.293,414 2.517,415 1.739,416 3.439,417 2.153,418 1.226,419 1.344,421 2.601,422 1.123,423 2.348,424 1.576,425 3.234,426 1.698,427 0.833,428 1.159,430 1.868,431 0.689,432 1.947,433 1.307,434 3.092,435 1.615,436 0.702,437 0.893,439 1.39,440 0.636,441 1.663,442 0.981,443 2.783,444 1.373,445 0.483,446 0.549,448 0.906,449 0.42,450 1.395,451 0.761,452 2.753,453 1.009,454 0.134,455 0.15,457 0.237,458 0.115,459 1.217,460 0.74,461 2.604,462 0.848,463 -0.057,464 -0.065,466 -0.143,467 -0.051,468 13.881,469 0.463,470 0.571,471 0.019,472 39.5,473 1.317,474 19,475 0.633,476 20.5,477 0.683,478 25.682,479 0.856,480 33.519,481 0.67,482 31.592,483 1.053,484 7.66,485 0.255,486 6.941,487 0.231,488 0.128,490 0.288,496 0.911,497 1.475,498 0.625,499 1.132,500 0.683,501 0.936,502 1.017,503 1.168,504 0.763,505 1.018,506 0.676,507 0.968,508 1.064,509 0.876,510 0.834,511 0.818,512 0.786,513 0.791,514 0.896,515 1.062,516 0.84,517 0.998,518 0.658,519 0.949,520 0.954,521 1.076,522 1.069,523 1.097,524 0.936,525 1.062,526 0.979,527 1.034,528 1.031,529 1.053,530 0.915,531 1.046,532 0.946,533 1.111,534 1.139,535 1.096,536 0.966,537 1.115,538 0.95,539 0.97,540 1.09,541 1.066,542 1.007,543 1.141,544 5.5,545 0.122,546 2.667,547 1.813,548 1.738,549 1.125,550 0.79,551 0.514,552 0.321,553 0.208,554 10659,555 38698,556 2.032,557 40,558 2,559 10,561 1,562 3,564 4,567 1.733,568 1.915,569 3.468,570 0.999,572 1,577 91.824,578 1.836,579 3.933,580 4.654,581 5.164,582 5.284,583 5.364,584 3.003,585 4.707,586 4.883,587 3.583,588 1558.72,589 8.542,590 21304.2,592 1,594 1,595 282.193,596 1.338,597 4.843,598 0.172,599 0.006,600 0.063,601 0.039,602 0.036,603 0.023,604 0.016,605 0.01,606 0.009,607 0.008,608 0.382,609 0.5,610 0.88,611 1.139,612 152.924,613 -0.135,614 -0.24,615 0.011,616 -0.102,617 -0.047,618 -0.016,619 -0.04,620 -0.085,621 0.017,622 -0.031,623 0.014,624 -0.034,625 0.001,626 0.101,627 0.119,628 0.148,629 0.027,630 0.171,631 0.056,632 -0.043,633 0.072,634 -0.006,635 0.094,636 0.024,637 -0.002,638 -0.054,639 -0.077,640 -0.096,641 -0.034,642 -0.092,643 0.017,644 -0.033,645 -0.043,646 -0.067,647 0.001,648 -0.08,649 -0.057,650 -0.077,651 -0.177,652 -0.11,653 -0.081,654 -0.142,655 -0.07,656 0.001,657 -0.11,658 -0.102,659 -0.024,660 -0.143,661 2.278,662 5.453,663 0.733,664 23.404,665 1.031,666 1.136,667 0.738,668 0.544,669 0.665,670 3.497,671 3.761,672 3.989,673 4.22,674 4.443,675 4.522,676 4.585,677 4.663,678 4.691,679 4.812,680 6.535,681 0.654,682 433.89,683 3.497,684 5.004,685 5.826,686 6.678,687 7.522,688 8.383,689 9.236,690 10.101,691 10.958,692 11.825,693 10,700 2,702 1,703 2,709 3,710 2,714 7,716 12,718 1,733 3,734 1,735 50,737 14,738 1,739 32,741 52,742 19,743 10,744 4,745 2,748 3,749 6,750 1,753 1,754 1,757 3,760 3,761 1,762 11,763 7,767 1,772 1,776 1,780 1,783 20,784 10,785 3,786 11,787 1,792 5,797 0.333,798 5,799 1,806 1,816 2,841 1,843 1,848 1,851 30,857 1,858 7,860 2,861 3,866 1,870 1,872 1,873 1,874 10,875 1,877 1,879 3,881 15.667,882 8.86,883 6.917,884 2.986,886 2.613,887 1.336,888 0.923,889 8.199,890 10.392,891 3.738,892 4.234,893 4.749,894 5.279,895 5.778,896 5.974,897 6.141,898 6.336,899 6.344,900 6.677,901 1,902 47,903 11.07,905 4.636,906 8.065,907 20.377,909 15.889,911 2.565,912 76.944,915 1,916 200.109,917 96.902,918 100.652,919 39.149,920 100.828,923 96.902,924 340.085,925 100.652,927 57.402,928 61.636,929 87.089,930 92.607,931 11.418,932 188.338,933 39.149,934 200.109,935 197.554,936 100.828,937 39.149,939 153.024,940 105.229,941 42.683,943 100.266,944 63.717,945 72.72,947 200.109,948 201.48,949 136.05,952 200.109,953 52.3,954 28,955 52.623,956 204.607,957 200.109,958 201.48,959 136.05,961 0.559,962 0.323,963 0.178,964 0.103,965 17,966 8,967 0.058,968 3,969 3,970 1.227,971 3.992,972 260.454,973 0.273,974 21,975 147.207,981 22.223,982 11.068,983 6.263,985 201.48,986 4.327,987 8.112,991 1.519,993 78.705,994 537.639,995 41,1000 12.453,1004 -0.611,1007 51.538,1008 56.804,1009 0.325,1010 0.697,1011 0.825,1012 0.915,1013 0.936,1014 0.95,1015 4.963,1016 1.609,1017 5.778,1018 4.369,1019 4.443,1020 4.92,1021 2.919,1022 6.532,1023 4.284,1024 6.139,1025 1.418,1026 7.298,1027 3.599,1028 3.892,1029 4.677,1030 1.195,1031 7.31,1032 3.659,1033 7.426,1034 1.226,1035 8.919,1036 3.012,1037 5.974,1038 7.039,1039 3.887,1040 10.396,1041 5.673,1042 8.747,1043 0.833,1044 10.6,1045 2.601,1046 6.256,1047 7.63,1048 2.324,1049 11.996,1050 5.872,1051 10.1,1052 0.702,1053 12.32,1054 1.868,1055 7.771,1056 9.465,1057 5.136,1058 14.57,1059 7.33,1060 11.476,1061 0.483,1062 14.065,1063 1.39,1064 8.462,1065 10.443,1066 3.407,1067 16.518,1068 7.936,1069 12.869,1070 0.134,1071 15.829,1072 0.906,1073 9.733,1074 12.055,1075 6.482,1076 18.899,1077 9.15,1078 3.027,1079 -0.057,1080 17.605,1081 0.237,1082 10.628,1083 13.227,1084 4.464,1085 21.005,1086 9.963,1087 2.911,1088 9.686,1089 19.392,1090 -0.143,1091 11.791,1092 14.733,1093 7.863,1094 23.307,1095 11.067,1096 2.542,1097 9.185,1098 21.186,1099 4.066,1100 12.786,1101 16.005,1102 5.504,1103 25.487,1104 11.984,1105 2.361,1106 7.907,1107 22.986,1108 3.961,1109 13.903,1110 17.457,1111 9.26,1112 27.758,1113 13.039,1114 1.974,1115 7.086,1116 24.79,1117 3.162,1118 14.947,1119 18.784,1120 6.531,1121 29.974,1122 14.007,1123 1.855,1124 5.544,1125 26.599,1126 3,1127 16.046,1128 20.209,1129 10.666,1130 32.233,1131 15.041,1132 1.727,1133 4.677,1134 28.411,1135 2.564,1136 17.113,1137 21.565,1138 7.551,1139 34.467,1140 16.036,1141 10494,1142 20175,1143 21.266,1144 33.25,1145 46.883,1146 50.361,1147 47.452,1148 45.644,1149 45.603,1150 57.143,1151 13.036,1152 124.135,1153 41.825,1154 5.333,1155 6.073,1156 6.185,1157 5.051,1158 5.027,1159 7.066,1160 4.069,1161 16.404,1162 4.826,1163 14.526,1164 1.465,1165 1.574,1166 1.483,1167 1.426,1168 1.425,1169 1.786,1170 0.407,1171 3.879,1172 1.307,1173 3.967,1174 3.991,1175 4.036,1176 3.856,1177 7.431,1178 3.866,1179 3.867,1180 3.898,1181 3.866,1182 3.694,1183 6.821,1184 3.728,1185 3.695,1186 3.757,1187 3.556,1188 3.552,1189 6.457,1190 3.539,1191 3.529,1192 3.571,1193 3.501,1194 3.273,1195 5.014,1196 3.296,1197 3.417,1198 3.459,1199 3.36,1200 3.171,1201 4.98,1202 3.206,1203 3.334,1204 3.393,1205 3.289,1206 3.112,1207 4.597,1208 3.118,1209 3.122,1210 3.174,1211 3.127,1212 2.916,1213 4.427,1214 2.951,1215 2.969,1216 3.001,1217 3.066,1218 2.786,1219 4.413,1220 2.785,1221 0.137,1222 0.127,1223 0.198,1224 0.124,1225 0.095,1226 4.388,1227 0.127,1228 4.073,1229 0.064,1230 6.322,1231 0.303,1232 3.965,1233 0.088,1234 3.027,1235 4.066,1236 2.035,1237 9.686,1238 2.826,1239 1.876,1240 1.865,1241 1.986,1242 2.012,1243 1.318,1244 1.992,1245 1.776,1246 1.735,1247 1.916,1248 1.98,1249 1.074,1250 1.958,1251 1.686,1252 1.629,1253 1.793,1254 1.856,1255 0.935,1256 1.866,1257 1.443,1258 1.391,1259 1.713,1260 1.72,1261 0.897,1262 1.715,1263 1.33,1264 1.277,1265 1.614,1266 1.618,1267 0.733,1268 1.6,1269 1.256,1270 1.207,1271 1.358,1272 1.51,1273 0.411,1274 1.49,1275 1.012,1276 0.968,1277 1.205,1278 1.245,1279 0.271,1280 1.21,1281 0.88,1282 0.842,1283 1.121,1284 1.166,1285 0.134,1286 1.169,1287 4.174,1289 5.451,1291 6.915,1293 8.477,1295 10.095,1298 6.224,1302 8.959,1303 2.941,1305 5.19,1306 16.767,1312 9.151,1313 1.913,1314 32.723,1315 91.824,1316 196.625,1317 232.683,1318 258.193,1319 264.193,1320 268.193,1321 69.503,1322 7.78,1323 138.62,1324 138.62,1325 27,1326 12.373,1327 3.907,1328 3.322,1329 55.015,1330 127,1331 131,1332 0.224,1333 206.784,1334 368.78,1335 496.312,1336 29384,1337 2,1338 21.347,1339 0.712,1340 0.558,1341 21.847,1342 16.738,1343 14.601,1344 0.456,1345 0.302,1346 9.106,1347 13.467,1348 8.986,1349 7.385,1350 14.89,1351 9.662,1352 12.4,1353 0.295,1354 0.158,1355 12.771,1356 6.616,1357 10.043,1358 0.189,1359 0.081,1360 10.397,1361 4.3,1362 8.241,1363 0.123,1364 0.043,1365 8.544,1366 2.848,1367 6.683,1368 0.08,1369 0.022,1370 6.974,1371 1.886,1372 0.349,1373 96.822,1374 0.217,1375 28.004,1376 0.623,1377 148,1378 572.896,1379 186.71,1380 561.609,1381 736.89,1382 524,1383 169,1384 498.575,1385 203.971,1386 503.468,1387 736.25,1388 473,1389 7.3}
{0 CHEMBL415049,1 1.851,2 19.146,3 2.961,4 8.766,5 151.061,6 8.161,7 0.5,8 4.386,9 4.503,10 4.125,11 3.858,12 5.541,13 3.853,14 4.921,15 5.078,16 4.379,17 4.197,18 6.34,19 4.181,20 5.136,21 5.345,22 4.31,23 4.306,24 6.239,25 4.254,26 5.181,27 5.406,28 4.31,29 4.319,30 6.293,31 4.243,32 5.228,33 5.47,34 4.29,35 4.303,36 6.327,37 4.218,38 5.158,39 5.398,40 4.302,41 4.282,42 6.283,43 4.186,44 5.105,45 5.313,46 4.212,47 4.231,48 6.274,49 4.16,50 5.056,51 5.275,52 4.15,53 4.171,54 6.214,55 4.097,56 0.369,57 1.152,58 17.115,59 6.75,60 39.245,61 7.466,62 1.135,63 1.726,64 28.97,65 10.375,66 123.731,67 12.699,68 1.098,69 1.99,70 39.636,71 12.452,72 107.739,73 15.614,74 1.098,75 2.002,76 42.227,77 13.672,78 106.043,79 18.314,80 1.281,81 1.937,82 45.536,83 14.015,84 135.865,85 18.681,86 1.216,87 1.833,88 46.195,89 14.676,90 132.885,91 18.38,92 1.279,93 1.792,94 42.784,95 12.816,96 136.297,97 14.85,98 1.09,99 1.716,100 38.144,101 11.844,102 124.223,103 15.272,104 49,105 60,106 0.287,107 0.647,108 0.821,109 0.906,110 0.906,111 0.906,112 3.741,113 0.98,114 -4.56,115 -4.48,116 -4.22,119 36.1,120 1,121 2,125 5,142 8,143 1,144 3,146 1,147 2,148 1,152 1,158 1,167 2,168 1,170 2,172 4,174 2,175 10,178 7,179 1,180 7,183 7,187 1,188 4,192 1,193 2,196 2,199 3,200 9,201 1,203 2,204 1,205 5,208 6,212 2,213 4,216 4,218 1,221 3,224 2,225 9,228 2,229 1,230 3,233 7,234 2,237 1,238 5,241 1,243 7,246 2,249 3,250 6,251 1,253 1,255 5,258 5,263 1,264 4,267 3,269 2,272 1,276 4232,277 27.281,278 27.281,279 27.281,280 27.281,281 27.281,282 24.29,283 35.407,284 16.294,285 27.98,286 21.736,287 21.736,288 21.736,289 21.736,290 21.736,291 17.161,292 51.895,293 7.757,294 22.819,295 4.319,296 1.993,297 0.865,298 0.316,299 0.316,300 0.316,301 4.433,307 1650,308 5.196,311 123.389,312 416.047,316 218.909,319 3.565,320 56.822,323 0.5,324 0.5,325 0.5,326 0.8,327 0.5,328 0.33,330 0.45,331 92.667,332 785,333 4.526,334 3.63,335 6.529,336 4.092,337 3.099,338 4.464,339 1.987,340 10.306,341 3.076,342 4.377,343 3.155,344 6.394,345 4.042,346 3.075,347 3.75,348 0.86,349 9.951,350 2.975,351 4.148,352 3.148,353 5.728,354 3.759,355 2.788,356 3.716,357 0.8,358 8.122,359 2.706,360 4.055,361 2.951,362 5.572,363 3.626,364 2.667,365 3.657,366 0.4,367 7.651,368 2.553,369 3.774,370 2.876,371 5.43,372 3.4,373 2.476,374 3.213,375 0.324,376 7.171,377 2.298,378 3.616,379 2.796,380 5.301,381 3.36,382 2.423,383 2.867,385 6.799,386 2.259,387 3.466,388 2.708,389 5.15,390 3.232,391 2.265,392 2.655,394 6.375,395 2.172,396 3.34,397 2.319,398 4.961,399 2.925,400 1.993,401 2.466,403 5.729,404 1.848,405 3.206,406 2.24,407 4.757,408 2.769,409 1.816,410 2.442,412 5.211,413 1.715,414 3.039,415 1.87,416 4.44,417 2.567,418 1.597,419 2.252,421 4.417,422 1.537,423 2.96,424 1.705,425 4.148,426 2.483,427 1.543,428 2.119,430 3.725,431 1.444,432 2.657,433 1.606,434 3.648,435 2.372,436 1.422,437 1.728,439 3.08,440 1.345,441 2.523,442 1.485,443 3.479,444 2.171,445 1.18,446 1.524,448 2.587,449 1.165,450 2.387,451 1.275,452 3.474,453 2.086,454 1.167,455 1.344,457 2.466,458 1.062,459 2.21,460 1.022,461 3.402,462 1.905,463 0.948,464 1.185,466 2.218,467 0.904,468 19.086,469 0.466,470 1.078,471 0.026,472 52,473 1.268,474 24.5,475 0.598,476 27.5,477 0.671,478 36.866,479 0.899,480 46.314,481 0.643,482 45.018,483 1.098,484 10.38,485 0.253,486 9.3,487 0.227,488 0.111,489 0.052,490 0.257,494 1,496 0.932,497 1.365,498 0.76,499 1.461,500 0.78,501 1.002,502 0.649,503 1.122,504 0.861,505 1.013,506 0.417,507 0.994,508 1.111,509 1.03,510 1.045,511 0.891,512 0.932,513 0.985,514 0.758,515 0.989,516 0.918,517 1.009,518 0.722,519 1.08,520 0.902,521 0.858,522 0.843,523 0.754,524 0.91,525 0.924,526 0.743,527 0.875,528 0.921,529 1.014,530 0.533,531 0.895,532 1.274,533 0.981,534 1.294,535 1.094,536 1.216,537 1.026,538 0.959,539 0.933,540 1.038,541 1.005,542 1.048,543 1.088,544 10,545 0.272,546 3.111,547 2.694,548 1.529,549 1.24,550 0.738,551 0.543,552 0.353,553 0.326,554 33629,555 115228,556 2.029,557 43.1,559 18,561 1,562 5,563 2,564 3,565 2,567 1.8,568 1.9,569 4.167,570 2.256,577 133.282,578 1.851,579 4.177,580 5.305,581 5.854,582 5.854,583 5.854,584 3.638,585 5.144,586 5.322,587 4.435,588 3637.09,589 9.369,590 72448.5,595 444.235,596 1.485,597 5.283,598 0.227,599 0.007,600 0.052,601 0.048,602 0.028,603 0.024,604 0.014,605 0.011,606 0.008,607 0.008,608 0.426,610 0.63,611 1.794,612 242.237,613 -0.185,614 -0.172,615 0.168,616 -0.188,617 -0.154,618 0.002,619 0.271,620 -0.062,621 0.002,622 -0.047,623 0.329,624 -0.041,625 -0.188,626 -0.011,627 -0.146,628 0.014,629 -0.123,630 -0.02,631 0.034,632 -0.042,633 -0.022,634 -0.099,635 0.013,636 -0.073,637 -0.024,638 0.021,639 0.064,640 0.084,641 -0.054,642 0.07,643 0.098,644 -0.005,645 0.115,646 0.042,647 0.127,648 0.135,649 -0.216,650 -0.025,651 -0.252,652 -0.031,653 -0.199,654 -0.06,655 -0.077,656 -0.015,657 -0.117,658 -0.089,659 -0.12,660 -0.103,661 5.266,662 5.342,663 0.512,664 75.173,665 1.023,666 1.142,667 3.328,668 11.075,669 0.657,670 3.807,671 4.111,672 4.263,673 4.5,674 4.654,675 4.745,676 4.844,677 4.97,678 5.075,679 5.153,680 11.233,681 0.633,682 587.61,683 3.807,684 5.342,685 6.151,686 7.013,687 7.836,688 8.702,689 9.535,690 10.403,691 11.242,692 12.113,693 9.7,696 1,700 1,701 2,703 3,708 2,709 9,710 3,711 1,714 6,716 22,728 1,733 1,734 1,735 72,737 24,738 2,739 44,741 75,742 26,743 17,744 5,745 7,748 4,749 5,754 1,760 2,762 18,763 8,767 2,772 2,776 1,778 1,781 1,783 31,784 13,785 5,786 15,787 1,792 7,797 0.75,798 6,804 1,805 1,807 1,810 1,815 1,816 3,820 1,829 1,839 1,841 2,843 3,847 1,849 1,851 41,857 2,858 7,860 2,861 2,864 1,873 1,874 8.3,875 2,877 2,878 1,879 1,881 21.583,882 12.71,883 9.014,884 4.17,885 1,886 4.289,887 1.505,888 0.961,889 10.913,890 12.79,891 4.06,892 4.637,893 5.101,894 5.68,895 6.156,896 6.434,897 6.806,898 7.222,899 7.6,900 7.782,901 0.923,902 56,903 15.553,905 6.869,906 8.081,907 28.204,909 22.504,911 2.581,912 105.806,916 309.192,917 147.78,918 106.043,920 137.593,921 14.96,922 3.143,923 147.78,924 443.642,925 121.003,926 8.825,927 38.582,928 150.074,929 122.183,930 79.255,931 22.373,932 294.278,934 306.049,935 253.823,936 152.553,937 3.143,939 262.153,940 115.264,941 81.185,943 95.968,944 107.621,945 53.377,947 321.009,948 243.636,949 147.78,950 3.143,951 3.143,952 306.049,953 54.526,954 96.378,955 52.685,956 202.788,957 306.049,958 258.596,959 150.924,961 0.576,962 0.305,963 0.161,964 0.083,965 25,966 12,967 0.2,968 15,969 1,970 1.095,971 5.266,972 373.193,973 0.095,974 21,975 217.66,981 30.693,982 14.577,983 9.955,984 1.408,985 241.933,986 14.242,987 12.847,988 2.814,991 2.132,993 126.948,994 715.569,995 57,1000 23.131,1004 -0.317,1006 -4.46,1007 73.651,1008 82.206,1009 0.3,1010 0.677,1011 0.86,1012 0.949,1013 0.949,1014 0.949,1015 5.291,1016 1.993,1017 6.142,1018 6.375,1019 4.796,1020 5.325,1021 2.373,1022 6.903,1023 4.706,1024 6.497,1025 1.816,1026 7.67,1027 5.729,1028 4.443,1029 5.207,1030 1.668,1031 7.847,1032 4.341,1033 7.806,1034 1.597,1035 9.296,1036 5.211,1037 6.385,1038 7.511,1039 3.17,1040 10.788,1041 6.227,1042 9.148,1043 1.543,1044 10.981,1045 4.417,1046 6.804,1047 8.175,1048 3.181,1049 12.522,1050 6.645,1051 10.519,1052 1.422,1053 12.703,1054 3.725,1055 8.242,1056 9.996,1057 4.326,1058 15.027,1059 8.039,1060 11.911,1061 1.18,1062 14.451,1063 3.08,1064 9.016,1065 11.039,1066 4.656,1067 17.088,1068 8.813,1069 13.32,1070 1.167,1071 16.218,1072 2.587,1073 10.253,1074 12.659,1075 5.604,1076 19.457,1077 10.018,1078 3.099,1079 0.948,1080 18.001,1081 2.466,1082 11.199,1083 13.901,1084 6.091,1085 21.66,1086 10.961,1087 3.075,1088 10.306,1089 19.796,1090 2.218,1091 12.353,1092 15.432,1093 6.928,1094 23.987,1095 12.092,1096 2.788,1097 9.951,1098 21.601,1099 4.464,1100 13.382,1101 16.783,1102 7.501,1103 26.252,1104 13.115,1105 2.667,1106 8.122,1107 23.415,1108 3.75,1109 14.505,1110 18.277,1111 8.273,1112 28.568,1113 14.22,1114 2.476,1115 7.651,1116 25.237,1117 3.716,1118 15.576,1119 19.687,1120 8.894,1121 30.861,1122 15.282,1123 2.423,1124 7.171,1125 27.065,1126 3.657,1127 16.689,1128 21.168,1129 9.631,1130 33.176,1131 16.38,1132 2.265,1133 6.799,1134 28.899,1135 3.213,1136 17.781,1137 22.612,1138 10.279,1139 35.482,1140 17.462,1141 32537,1142 60431,1143 29.008,1144 47.284,1145 64.25,1146 65.964,1147 65.253,1148 63.956,1149 63.991,1150 82.591,1151 8.742,1152 178.23,1153 61.04,1154 5.477,1155 5.63,1156 6.224,1157 5.177,1158 5.099,1159 7.464,1160 3.497,1161 17.2,1162 5.076,1163 23.389,1164 1.46,1165 1.499,1166 1.483,1167 1.454,1168 1.454,1169 1.877,1170 0.199,1171 4.051,1172 1.387,1173 4.08,1174 4.118,1175 4.415,1176 3.973,1177 8.201,1178 3.986,1179 3.943,1180 3.985,1181 4.047,1182 3.835,1183 7.475,1184 3.839,1185 3.876,1186 3.921,1187 3.895,1188 3.798,1189 7.428,1190 3.743,1191 3.79,1192 3.852,1193 3.827,1194 3.721,1195 6.437,1196 3.596,1197 3.621,1198 3.621,1199 3.624,1200 3.556,1201 6.23,1202 3.419,1203 3.503,1204 3.545,1205 3.431,1206 3.309,1207 5.109,1208 3.312,1209 3.431,1210 3.48,1211 3.359,1212 3.215,1213 4.966,1214 3.226,1215 3.338,1216 3.406,1217 3.198,1218 3.144,1219 4.674,1220 3.162,1221 0.103,1222 0.083,1223 0.148,1224 0.093,1225 0.07,1226 4.526,1227 0.101,1228 3.63,1229 0.045,1230 6.529,1231 0.234,1232 4.092,1233 0.07,1234 3.099,1235 4.464,1236 1.987,1237 10.306,1238 3.076,1239 2.002,1240 1.978,1241 2.064,1242 2.118,1243 1.27,1244 2.102,1245 1.882,1246 1.854,1247 1.986,1248 2.001,1249 1.172,1250 1.996,1251 1.728,1252 1.662,1253 1.96,1254 1.951,1255 1.063,1256 1.962,1257 1.641,1258 1.602,1259 1.788,1260 1.82,1261 1.033,1262 1.809,1263 1.501,1264 1.468,1265 1.769,1266 1.732,1267 0.975,1268 1.744,1269 1.421,1270 1.384,1271 1.667,1272 1.639,1273 0.89,1274 1.679,1275 1.386,1276 1.317,1277 1.523,1278 1.614,1279 0.549,1280 1.616,1281 1.238,1282 1.181,1283 1.378,1284 1.487,1285 0.474,1286 1.472,1287 4.489,1289 5.796,1290 2.398,1291 7.268,1292 4.595,1293 8.818,1294 6.555,1295 10.413,1297 1.961,1299 13.342,1302 17.596,1303 2.93,1305 5.78,1306 10.385,1309 2.016,1314 45.594,1315 133.282,1316 300.709,1317 381.97,1318 421.48,1319 421.48,1320 421.48,1321 102.639,1322 8.501,1323 174.82,1324 184.63,1325 23,1326 12.662,1327 4.644,1328 3.807,1329 76.757,1330 274,1331 261,1332 0.131,1333 285.061,1334 491.92,1335 687.309,1336 78465,1337 1.4,1338 29.244,1339 0.713,1340 0.565,1341 28.624,1342 23.182,1343 19.68,1344 0.447,1345 0.327,1346 12.711,1347 17.841,1348 12.389,1349 10.233,1350 20.213,1351 14.38,1352 18.301,1353 0.305,1354 0.171,1355 19.072,1356 10.239,1357 13.299,1358 0.19,1359 0.092,1360 13.442,1361 6.465,1362 11.131,1363 0.125,1364 0.049,1365 11.096,1366 4.323,1367 8.269,1368 0.08,1369 0.025,1370 8.364,1371 2.649,1372 0.218,1373 134.371,1374 0.186,1375 38.116,1376 0.329,1377 208,1378 780.544,1379 270.419,1380 724.035,1381 957.29,1382 670,1383 234,1384 656.212,1385 301.021,1386 682.087,1387 989.8,1388 639,1389 5.6}
{0 CHEMBL41783,1 1.776,2 10.923,3 2.367,4 5.602,5 92.456,6 8.191,7 0.571,8 3.904,9 4.038,10 3.534,11 3.37,12 5.139,13 3.388,14 4.418,15 4.608,16 3.885,17 3.731,18 5.627,19 3.739,20 4.632,21 4.833,22 3.962,23 3.815,24 6.023,25 3.806,26 4.711,27 4.972,28 3.855,29 3.747,30 5.933,31 3.719,32 4.548,33 4.778,34 3.796,35 3.646,36 5.892,37 3.636,38 4.465,39 4.694,40 3.751,41 3.583,42 5.75,43 3.581,44 4.408,45 4.619,46 3.676,47 3.479,48 5.795,49 3.492,50 4.317,51 4.56,52 3.521,53 3.387,54 5.596,55 3.364,56 0.165,57 0.836,58 7.672,59 3.607,60 13.424,61 4.462,62 0.395,63 1.264,64 15.723,65 5.665,66 31.872,67 7.513,68 0.706,69 1.567,70 21.03,71 7.209,72 91.721,73 9.249,74 0.791,75 1.365,76 26.831,77 7.356,78 88.034,79 10.482,80 0.759,81 1.196,82 21.498,83 6.19,84 86.095,85 8.388,86 0.534,87 1.121,88 19.092,89 5.539,90 60.769,91 7.882,92 0.713,93 1.07,94 17.556,95 4.241,96 75.27,97 5.891,98 0.573,99 0.967,100 16.884,101 4.551,102 54.508,103 6.605,104 32,105 39,106 0.307,107 0.673,108 0.813,109 0.852,110 0.852,111 0.852,112 3.304,113 0.864,114 -4.54,115 -4.46,116 -4.2,119 38.6,121 2,124 2,125 1,142 4,143 2,144 2,146 1,149 1,153 1,158 1,166 1,168 1,172 5,174 1,175 6,178 1,179 1,180 3,183 3,187 1,188 7,191 2,193 3,196 3,200 3,203 3,205 1,208 3,212 2,213 5,216 2,218 3,221 4,224 1,225 4,230 2,233 2,237 1,238 5,241 1,243 2,246 1,249 1,250 4,255 2,258 2,263 1,264 1,272 2,276 1080,277 17.206,278 17.206,279 17.206,280 17.206,281 17.206,282 15.129,283 15.19,284 10.127,285 17.583,286 13.793,287 13.793,288 13.793,289 13.793,290 13.793,291 10.66,292 18.855,293 4.806,294 14.425,295 3.683,296 1.569,297 0.762,298 0.534,299 0.534,300 0.534,301 3.982,304 1,305 1,306 1,307 595,308 3.674,311 60.508,312 151.086,315 107.254,319 1.852,320 39.334,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 59,332 284,333 4.59,334 3.599,335 6.645,336 4.129,337 3.162,338 4.527,339 1.907,340 10.642,341 3.056,342 4.367,343 3.404,344 6.487,345 3.932,346 2.975,347 4.061,348 0.8,349 10.046,350 2.84,351 3.747,352 3.078,353 5.586,354 3.408,355 2.426,356 3.145,357 0.149,358 7.128,359 2.383,360 3.627,361 2.578,362 5.283,363 3.242,364 2.291,365 2.898,367 6.588,368 2.156,369 3.277,370 2.569,371 4.836,372 3.104,373 2.18,374 2.537,376 5.355,377 2.007,378 3.189,379 2.076,380 4.633,381 2.775,382 1.824,383 2.204,385 5.053,386 1.723,387 2.939,388 1.936,389 4.483,390 2.438,391 1.48,392 2.136,394 4.202,395 1.411,396 2.863,397 1.537,398 4.088,399 2.382,400 1.414,401 2.023,403 3.286,404 1.355,405 2.659,406 1.358,407 3.843,408 2.172,409 1.209,410 1.729,412 3.154,413 1.159,414 2.172,415 1.267,416 3.307,417 1.997,418 1.012,419 1.104,421 2.153,422 0.991,423 2.072,424 0.914,425 3.153,426 1.657,427 0.683,428 0.938,430 1.613,431 0.661,432 1.38,433 0.71,434 2.794,435 1.014,436 0.153,437 0.179,439 0.347,440 0.127,441 1.129,442 0.461,443 2.561,444 0.808,445 -0.136,446 -0.15,448 -0.336,449 -0.128,450 0.906,451 0.109,452 2.359,453 0.647,454 -0.349,455 -0.439,457 -0.8,458 -0.34,459 0.874,460 -0.091,461 2.255,462 0.467,463 -0.521,464 -0.688,466 -1.28,467 -0.503,468 11.805,469 0.454,470 0.72,471 0.028,472 33,473 1.269,474 16,475 0.615,476 17,477 0.654,478 20.013,479 0.77,480 28.995,481 0.659,482 25.924,483 0.997,484 6.845,485 0.263,486 5.607,487 0.216,488 0.161,490 0.373,494 2,496 0.597,497 1.12,498 0.677,499 1.12,500 0.518,501 0.967,502 0.691,503 1.012,504 0.712,505 0.941,506 0.563,507 0.847,508 0.872,509 1.12,510 0.918,511 1.165,512 0.847,513 1.089,514 0.909,515 0.903,516 0.815,517 0.829,518 0.899,519 0.796,520 0.965,521 0.841,522 0.894,523 0.853,524 1.071,525 0.857,526 0.85,527 1.028,528 0.777,529 0.983,530 0.822,531 0.879,532 1.147,533 0.866,534 1.143,535 0.893,536 1.202,537 0.984,538 0.866,539 0.906,540 0.952,541 0.98,542 0.846,543 0.984,544 5.5,545 0.103,546 3.333,547 1.917,548 1.222,549 0.948,550 0.503,551 0.418,552 0.279,553 0.199,554 7733,555 25158,556 2.014,557 40.9,559 12,562 2,563 2,564 2,567 1.69,568 1.857,569 3.411,570 0.365,571 1,572 1,577 78.16,578 1.776,579 3.891,580 4.698,581 4.925,582 4.925,583 4.925,584 2.921,585 4.547,586 4.666,587 3.602,588 1170.77,589 8.087,590 14774.2,592 1,594 1,595 240.215,596 1.502,597 4.615,598 0.196,599 0.007,600 0.085,601 0.049,602 0.035,603 0.029,604 0.016,605 0.015,606 0.012,607 0.01,608 0.454,609 0.17,610 1,611 1.723,612 127.973,613 -0.005,614 -0.072,615 0.035,616 -0.049,617 -0.02,618 -0.01,619 0.003,620 -0.057,621 0.123,622 0.063,623 0.037,624 0.121,625 0.058,626 -0.111,627 -0.005,628 -0.16,629 0.094,630 -0.122,631 0.012,632 -0.041,633 0.207,634 0.115,635 0.008,636 0.202,637 0.05,638 0.083,639 0.094,640 0.102,641 -0.007,642 0.105,643 0.014,644 -0.16,645 0.178,646 -0.026,647 0.037,648 0.099,649 -0.071,650 0.052,651 -0.185,652 -0.022,653 -0.103,654 -0.12,655 0.076,656 0.051,657 0.031,658 -0.048,659 0.031,660 -0.031,661 2.668,662 5.989,663 0.577,664 25.929,665 1.026,666 1.154,667 3.308,668 10.944,669 0.652,670 3.367,671 3.689,672 3.932,673 4.174,674 4.369,675 4.477,676 4.635,677 4.762,678 4.787,679 4.852,680 6.531,681 0.643,682 360.41,683 3.367,684 4.905,685 5.746,686 6.621,687 7.486,688 8.37,689 9.247,690 10.136,691 11.021,692 11.914,693 13.6,696 1,700 1,701 1,703 3,708 2,709 4,710 3,711 1,714 5,716 16,734 2,735 44,737 17,738 1,739 28,741 46,742 17,743 11,744 3,745 3,748 3,749 4,760 2,762 12,763 5,767 1,772 1,776 1,779 1,780 1,781 2,783 18,784 8,785 2,786 9,792 6,797 0.667,798 1,807 1,808 1,815 1,816 2,819 1,829 1,839 1,843 2,847 2,849 2,851 26,858 3,860 1,864 1,873 2,874 2.3,877 1,881 14,882 8.586,883 5.722,884 2.534,886 3.223,887 1.442,888 0.979,889 5.431,890 10.508,891 3.638,892 4.259,893 4.855,894 5.473,895 6.016,896 6.4,897 6.903,898 7.356,899 7.627,900 7.997,901 1,902 39,903 9.673,905 4.2,906 8.147,907 17.678,909 14.084,911 2.647,912 68.833,915 1,916 188.338,917 97.378,918 87.787,920 25.145,921 29.92,923 97.378,924 213.483,925 117.707,926 16.793,927 25.186,928 37.905,929 79.839,930 50.588,931 29.92,932 188.338,934 188.338,935 185.165,936 55.065,939 196.431,940 48.687,943 50.058,944 83.403,945 49.989,947 218.258,948 112.932,949 97.378,952 188.338,953 42.68,954 57.822,955 34.674,956 105.054,957 188.338,958 142.852,959 97.378,961 0.583,962 0.327,963 0.168,964 0.088,965 18,966 9,967 0.13,968 6,969 1,970 1.133,971 3.761,972 212.317,973 0.133,974 15,975 118.211,981 18.214,982 7.752,983 4.165,984 0.744,985 126.189,986 5.345,987 11.751,988 2.686,991 -1.476,993 34.674,994 428.568,995 37,1000 12.066,1004 -0.173,1007 45.149,1008 50.785,1009 0.325,1010 0.713,1011 0.861,1012 0.902,1013 0.902,1014 0.902,1015 4.868,1016 1.414,1017 5.74,1018 4.202,1019 4.369,1020 4.945,1021 2.08,1022 6.547,1023 4.283,1024 6.087,1025 1.209,1026 7.302,1027 3.286,1028 4.007,1029 4.844,1030 1.668,1031 7.462,1032 3.858,1033 7.401,1034 1.012,1035 8.965,1036 3.154,1037 5.958,1038 7.198,1039 2.929,1040 10.562,1041 5.797,1042 8.755,1043 0.683,1044 10.687,1045 2.153,1046 6.399,1047 7.941,1048 3.047,1049 12.318,1050 6.176,1051 10.141,1052 0.153,1053 12.449,1054 1.613,1055 7.844,1056 9.79,1057 4.042,1058 14.944,1059 7.609,1060 11.553,1061 -0.136,1062 14.238,1063 0.347,1064 8.655,1065 10.931,1066 4.412,1067 17.044,1068 8.367,1069 12.984,1070 -0.349,1071 16.048,1072 -0.336,1073 9.904,1074 12.573,1075 5.251,1076 19.5,1077 9.596,1078 3.162,1079 -0.521,1080 17.874,1081 -0.8,1082 10.889,1083 13.902,1084 5.75,1085 21.743,1086 10.534,1087 2.975,1088 10.642,1089 19.712,1090 -1.28,1091 12.061,1092 15.456,1093 6.501,1094 24.133,1095 11.679,1096 2.426,1097 10.046,1098 21.559,1099 4.527,1100 13.125,1101 16.873,1102 7.068,1103 26.435,1104 12.702,1105 2.291,1106 7.128,1107 23.413,1108 4.061,1109 14.269,1110 18.39,1111 7.771,1112 28.8,1113 13.815,1114 2.18,1115 6.588,1116 25.273,1117 3.145,1118 15.371,1119 19.848,1120 8.374,1121 31.128,1122 14.878,1123 1.824,1124 5.355,1125 27.138,1126 2.898,1127 16.506,1128 21.352,1129 9.051,1130 33.483,1131 15.98,1132 1.48,1133 5.053,1134 29.007,1135 2.537,1136 17.625,1137 22.83,1138 9.674,1139 35.823,1140 17.062,1141 7697,1142 14133,1143 18.205,1144 28.694,1145 42.05,1146 43.453,1147 43.419,1148 41.611,1149 41.619,1150 54.961,1151 5.712,1152 119.133,1153 39.736,1154 5.509,1155 5.599,1156 6.202,1157 5.175,1158 5.162,1159 7.527,1160 3.306,1161 17.759,1162 5.056,1163 14.97,1164 1.502,1165 1.552,1166 1.551,1167 1.486,1168 1.486,1169 1.963,1170 0.204,1171 4.255,1172 1.419,1173 4.1,1174 4.148,1175 4.081,1176 3.962,1177 8.239,1178 3.983,1179 3.878,1180 3.91,1181 3.85,1182 3.76,1183 8.161,1184 3.777,1185 3.746,1186 3.817,1187 3.62,1188 3.565,1189 7.429,1190 3.567,1191 3.499,1192 3.569,1193 3.389,1194 3.246,1195 5.205,1196 3.267,1197 3.287,1198 3.368,1199 3.217,1200 3.072,1201 4.661,1202 3.095,1203 3.065,1204 3.143,1205 2.898,1206 2.811,1207 4.467,1208 2.823,1209 2.93,1210 3.009,1211 2.873,1212 2.73,1213 4.33,1214 2.751,1215 2.874,1216 2.981,1217 2.725,1218 2.618,1219 3.985,1220 2.57,1221 0.164,1222 0.129,1223 0.237,1224 0.147,1225 0.113,1226 4.59,1227 0.162,1228 3.599,1229 0.068,1230 6.645,1231 0.38,1232 4.129,1233 0.109,1234 3.162,1235 4.527,1236 1.907,1237 10.642,1238 3.056,1239 1.94,1240 1.918,1241 2.002,1242 2.049,1243 1.245,1244 2.033,1245 1.746,1246 1.707,1247 1.954,1248 1.943,1249 1.114,1250 1.948,1251 1.688,1252 1.633,1253 1.792,1254 1.847,1255 0.903,1256 1.834,1257 1.456,1258 1.376,1259 1.712,1260 1.77,1261 0.83,1262 1.732,1263 1.292,1264 1.193,1265 1.46,1266 1.614,1267 0.492,1268 1.602,1269 1.007,1270 0.951,1271 1.417,1272 1.299,1273 0.469,1274 1.308,1275 0.934,1276 0.862,1277 1.268,1278 1.239,1279 0.323,1280 1.292,1281 0.917,1282 0.804,1283 1.089,1284 1.087,1285 0.16,1286 1.091,1287 4.043,1289 5.361,1290 2.398,1291 6.864,1292 4.727,1293 8.457,1294 6.823,1295 10.103,1297 3.873,1299 27.432,1303 1.86,1305 2.732,1309 1.994,1314 28.297,1315 78.16,1316 171.195,1317 206.705,1318 216.705,1319 216.705,1320 216.705,1321 64.818,1322 7.285,1323 86.8,1324 86.8,1325 17,1326 12.443,1327 4.17,1328 3.322,1329 44.409,1330 99,1331 113,1332 0.218,1333 175.399,1334 298.69,1335 419.734,1336 13867,1337 4.5,1338 18.681,1339 0.719,1340 0.553,1341 16.941,1342 14.384,1343 12.452,1344 0.445,1345 0.288,1346 7.882,1347 11.726,1348 7.692,1349 6.415,1350 11.631,1351 8.062,1352 11.431,1353 0.293,1354 0.157,1355 10.398,1356 6.122,1357 9.161,1358 0.183,1359 0.076,1360 8.102,1361 3.818,1362 7.359,1363 0.115,1364 0.039,1365 6.716,1366 2.507,1367 5.67,1368 0.073,1369 0.019,1370 5.275,1371 1.514,1372 0.343,1373 80.03,1374 0.234,1375 25.225,1376 0.594,1377 134,1378 551.204,1379 154.339,1380 480.108,1381 630.75,1382 444,1383 156,1384 452.878,1385 177.639,1386 445.326,1387 646.41,1388 415,1389 5.1}
{0 CHEMBL422897,1 1.621,2 9.179,3 3.058,4 9.351,5 107.239,6 8.372,7 0.387,8 3.998,9 4.081,10 3.643,11 3.551,12 5.185,13 3.547,14 4.526,15 4.657,16 4.068,17 3.981,18 5.672,19 3.964,20 4.86,21 5.01,22 4.257,23 4.182,24 6.024,25 4.146,26 4.993,27 5.169,28 4.32,29 4.174,30 6.329,31 4.136,32 4.957,33 5.122,34 4.179,35 4.12,36 6.224,37 4.086,38 4.873,39 5.039,40 4.168,41 4.068,42 6.187,43 4.031,44 4.776,45 4.936,46 4.086,47 3.998,48 6.148,49 3.954,50 4.756,51 4.918,52 3.985,53 3.903,54 6.093,55 3.826,56 0.15,57 0.625,58 8.515,59 4.62,60 23.107,61 5.139,62 0.27,63 1.055,64 16.568,65 7.705,66 29.558,67 9.058,68 0.531,69 1.357,70 27.094,71 11.206,72 68.163,73 13.079,74 1.093,75 1.46,76 36.08,77 12.755,78 133.607,79 15.517,80 1.022,81 1.382,82 34.357,83 11.916,84 133.424,85 13.411,86 0.905,87 1.309,88 30.036,89 10.934,90 121.366,91 12.641,92 0.696,93 1.213,94 25.512,95 9.96,96 115.959,97 11.638,98 0.931,99 1.116,100 29.706,101 9.737,102 118.433,103 10.744,104 37,105 46,106 0.275,107 0.664,108 0.835,109 0.897,110 0.911,111 0.911,112 3.376,113 0.908,114 -3.46,115 -3.44,116 -3.29,119 43.8,121 1,122 1,124 1,125 2,127 1,135 1,138 1,142 5,143 3,144 4,157 1,172 6,175 7,180 5,183 12,188 3,191 1,193 3,196 7,199 1,200 9,203 3,204 1,205 4,208 10,213 3,216 1,217 1,218 3,221 5,224 1,225 6,228 2,230 4,233 10,238 1,241 1,242 1,243 4,246 7,249 1,250 2,253 1,255 7,258 7,264 1,269 5,272 2,276 1194,277 18.499,278 18.499,279 18.499,280 18.499,281 18.499,282 16.626,283 20.975,284 10.547,285 18.887,286 15.261,287 15.261,288 15.261,289 15.261,290 15.261,291 12.373,292 26.694,293 4.972,294 15.985,295 3.964,296 1.681,297 0.674,298 0.307,299 0.224,300 0.224,301 4.066,302 1,305 1,306 1,307 553,308 2.449,312 286.945,316 111.001,319 1.217,320 47.636,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 61.833,332 257,333 4.68,334 3.71,335 7.072,336 4.331,337 3.355,338 4.38,339 0.86,340 12.191,341 3.274,342 4.328,343 3.357,344 6.511,345 3.955,346 2.991,347 3.939,348 0.8,349 10.125,350 2.89,351 4.047,352 3.221,353 6.393,354 3.805,355 2.836,356 3.385,358 9.659,359 2.725,360 3.67,361 2.916,362 5.686,363 3.402,364 2.441,365 2.942,367 7.384,368 2.336,369 3.508,370 2.645,371 5.27,372 3.116,373 2.189,374 2.654,376 6.377,377 2.02,378 3.267,379 2.55,380 5.016,381 2.903,382 1.979,383 2.499,385 5.617,386 1.812,387 3.087,388 2.273,389 4.948,390 2.779,391 1.829,392 2.17,394 5.502,395 1.726,396 2.963,397 2.142,398 4.719,399 2.65,400 1.673,401 2.017,403 4.653,404 1.609,405 2.86,406 1.68,407 4.184,408 2.352,409 1.414,410 1.986,412 3.565,413 1.307,414 2.572,415 1.589,416 3.922,417 2.324,418 1.365,419 1.548,421 3.106,422 1.249,423 2.384,424 1.186,425 3.589,426 2.046,427 1.071,428 1.376,430 2.745,431 1.037,432 1.581,433 0.818,434 3.418,435 1.382,436 0.444,437 0.481,439 1.154,440 0.412,441 1.393,442 0.768,443 3.084,444 0.931,445 -0.013,446 -0.016,448 -0.035,449 -0.011,450 1.159,451 0.364,452 2.696,453 0.696,454 -0.252,455 -0.275,457 -0.615,458 -0.204,459 0.876,460 0.093,461 2.523,462 0.636,463 -0.275,464 -0.387,466 -0.689,467 -0.244,468 13.281,469 0.474,470 0.895,471 0.032,472 34.5,473 1.232,474 16.5,475 0.589,476 18,477 0.643,478 25.875,479 0.924,480 30.519,481 0.636,482 28.891,483 1.032,484 6.776,485 0.242,486 6.587,487 0.235,488 0.192,490 0.444,496 0.873,497 1.115,498 0.646,499 0.899,500 0.849,501 0.837,502 0.804,503 1.014,504 0.673,505 0.896,506 0.616,507 0.841,508 0.989,509 1.074,510 0.86,511 1.032,512 0.93,513 0.985,514 0.789,515 0.975,516 0.808,517 0.994,518 0.718,519 0.917,520 1.364,521 0.904,522 0.988,523 0.883,524 1.281,525 0.91,526 1.137,527 0.949,528 0.828,529 0.899,530 1.198,531 0.92,532 1.051,533 1.153,534 0.869,535 1.036,536 1.263,537 1.043,538 1.388,539 1.055,540 1.27,541 1.081,542 1.588,543 1.181,544 6,545 0.091,546 3.778,547 3.125,548 2.316,549 1.465,550 1.157,551 0.639,552 0.39,553 0.138,554 8277,555 25573,556 2.051,557 41.7,559 14,562 3,564 3,567 1.72,568 1.867,569 3.146,570 0.917,571 1,572 1,577 77.791,578 1.621,579 3.904,580 4.911,581 5.278,582 5.361,583 5.361,584 2.594,585 4.45,586 4.78,587 3.27,588 1236.14,589 8.363,590 15412.4,592 1,594 1,595 268.078,596 1.531,597 4.711,598 0.194,599 0.011,600 0.082,601 0.06,602 0.045,603 0.031,604 0.026,605 0.016,606 0.013,607 0.007,608 0.484,609 0.5,610 1,611 0.648,612 136.101,613 -0.119,614 0.009,615 -0.008,616 0.08,617 -0.13,618 0.069,619 -0.078,620 0.11,621 0.044,622 0.064,623 0.01,624 0.087,625 -0.076,626 -0.052,627 -0.007,628 -0.055,629 -0.074,630 -0.032,631 0.259,632 -0.015,633 0.142,634 -0.019,635 0.234,636 0.058,637 -0.134,638 0.049,639 -0.067,640 0.076,641 -0.115,642 0.031,643 -0.013,644 0.031,645 0.037,646 0.055,647 -0.015,648 0.024,649 -0.01,650 -0.153,651 -0.013,652 -0.08,653 0.021,654 -0.1,655 -0.137,656 -0.097,657 -0.182,658 -0.104,659 -0.207,660 -0.244,661 2.114,662 5.769,663 0.786,664 21.786,665 1.019,666 1.118,667 2.232,668 4.982,669 0.682,670 3.466,671 3.85,672 4.174,673 4.511,674 4.779,675 4.942,676 5.094,677 5.247,678 5.342,679 5.357,680 5.48,681 0.66,682 401.87,683 3.466,684 5.043,685 5.927,686 6.845,687 7.747,688 8.672,689 9.583,690 10.511,691 11.427,692 12.357,693 2.1,696 1,709 5,714 7,716 12,721 1,732 2,733 1,734 1,735 48,737 14,738 2,739 31,741 51,742 21,743 12,744 7,745 5,746 3,748 4,749 5,750 1,757 2,758 1,760 2,762 15,763 6,764 1,767 2,772 1,774 1,776 2,780 1,783 20,784 6,785 3,786 7,787 1,792 1,797 0.75,798 5,800 1,816 4,820 1,834 2,839 1,841 1,843 3,847 1,848 1,851 28,857 3,858 3,861 1,863 2,864 1,873 1,874 10.4,875 1,876 2,877 1,879 1,881 15,882 8.693,883 6,884 2.776,886 2.696,887 1.347,888 0.919,889 5.099,890 10.458,891 3.689,892 4.304,893 4.894,894 5.485,895 6.015,896 6.353,897 6.695,898 7.089,899 7.422,900 7.706,901 1,902 52,903 10.505,905 4.798,906 8.028,907 19.44,909 16.632,911 2.528,912 70.778,915 1,916 200.109,917 100.677,918 3.124,919 39.149,920 164.195,923 100.677,924 403.452,925 3.124,926 8.396,927 6.746,928 99.541,929 120.889,930 32.425,932 200.109,933 39.149,934 200.109,935 103.802,936 164.195,937 39.149,939 164.795,940 156.825,941 42.683,943 9.87,944 79.212,945 53.868,947 200.109,948 167.319,949 139.826,952 200.109,953 35.424,954 68.378,956 203.343,957 200.109,958 167.319,959 139.826,961 0.598,962 0.361,963 0.206,964 0.113,965 24,966 12,967 0.039,968 2,969 1,970 1.091,971 3.692,972 264.84,973 0.091,974 22,975 134.606,981 19.273,982 7.408,983 3.43,985 167.319,986 8.076,991 0.759,993 128.05,994 507.254,995 39,1000 12.769,1002 1.273,1004 -0.214,1007 48.898,1008 53.641,1009 0.29,1010 0.699,1011 0.879,1012 0.945,1013 0.96,1014 0.96,1015 4.977,1016 1.673,1017 5.953,1018 5.502,1019 4.533,1020 4.99,1021 1.235,1022 6.843,1023 4.444,1024 6.204,1025 1.414,1026 7.565,1027 4.653,1028 4.29,1029 4.924,1030 0.325,1031 7.892,1032 4.143,1033 7.535,1034 1.365,1035 9.276,1036 3.565,1037 6.201,1038 7.18,1039 0.938,1040 11.052,1041 6.053,1042 8.899,1043 1.071,1044 11.045,1045 3.106,1046 6.735,1047 7.9,1048 0.268,1049 12.926,1050 6.541,1051 10.295,1052 0.444,1053 12.851,1054 2.745,1055 8.171,1056 9.69,1057 0.732,1058 15.627,1059 7.973,1060 11.714,1061 -0.013,1062 14.684,1063 1.154,1064 9.061,1065 10.784,1066 0.188,1067 17.847,1068 8.828,1069 13.153,1070 -0.252,1071 16.536,1072 -0.035,1073 10.323,1074 12.385,1075 0.57,1076 20.393,1077 10.077,1078 3.355,1079 -0.275,1080 18.403,1081 -0.615,1082 11.373,1083 13.663,1084 0.125,1085 22.761,1086 11.099,1087 2.991,1088 12.191,1089 20.282,1090 -0.689,1091 12.574,1092 15.182,1093 0.438,1094 25.257,1095 12.283,1096 2.836,1097 10.125,1098 22.171,1099 4.38,1100 13.697,1101 16.55,1102 0.082,1103 27.69,1104 13.381,1105 2.441,1106 9.659,1107 24.069,1108 3.939,1109 14.881,1110 18.034,1111 0.334,1112 30.173,1113 14.544,1114 2.189,1115 7.384,1116 25.972,1117 3.385,1118 16.037,1119 19.447,1120 0.054,1121 32.636,1122 15.677,1123 1.979,1124 6.377,1125 27.882,1126 2.942,1127 17.219,1128 20.917,1129 0.252,1130 35.12,1131 16.838,1132 1.829,1133 5.617,1134 29.796,1135 2.654,1136 18.393,1137 22.355,1138 0.035,1139 37.597,1140 17.99,1141 8013,1142 14218,1143 20.115,1144 32.75,1145 47.97,1146 49.277,1147 50.464,1148 47.407,1149 47.178,1150 58.757,1151 3.32,1152 144.157,1153 44.794,1154 5.68,1155 5.71,1156 6.757,1157 5.432,1158 5.355,1159 7.38,1160 1.72,1161 19.814,1162 5.274,1163 16.158,1164 1.547,1165 1.59,1166 1.628,1167 1.529,1168 1.522,1169 1.895,1170 0.107,1171 4.65,1172 1.445,1173 4.063,1174 4.072,1175 4.071,1176 3.98,1177 7.428,1178 3.989,1179 3.892,1180 3.92,1181 3.94,1182 3.837,1183 6.492,1184 3.831,1185 3.777,1186 3.816,1187 3.692,1188 3.627,1189 6.449,1190 3.633,1191 3.456,1192 3.474,1193 3.42,1194 3.323,1195 6.444,1196 3.335,1197 3.254,1198 3.324,1199 3.285,1200 3.042,1201 4.967,1202 3.046,1203 3.148,1204 3.222,1205 3.115,1206 2.945,1207 4.699,1208 2.931,1209 2.997,1210 3.011,1211 2.961,1212 2.824,1213 4.34,1214 2.828,1215 2.88,1216 2.922,1217 2.886,1218 2.784,1219 4.3,1220 2.765,1221 0.151,1222 0.12,1223 0.228,1224 0.14,1225 0.108,1226 4.68,1227 0.141,1228 3.71,1229 0.028,1230 7.072,1231 0.393,1232 4.331,1233 0.106,1234 3.355,1235 4.38,1236 0.86,1237 12.191,1238 3.274,1239 1.991,1240 1.984,1241 2.077,1242 2.1,1243 1.426,1244 2.092,1245 1.885,1246 1.863,1247 1.993,1248 1.985,1249 1.128,1250 1.992,1251 1.734,1252 1.693,1253 1.869,1254 1.891,1255 1.029,1256 1.89,1257 1.403,1258 1.383,1259 1.587,1260 1.574,1261 0.781,1262 1.569,1263 1.226,1264 1.147,1265 1.501,1266 1.477,1267 0.712,1268 1.488,1269 1.145,1270 1.071,1271 1.472,1272 1.398,1273 0.562,1274 1.427,1275 0.911,1276 0.888,1277 1.176,1278 1.173,1279 0.38,1280 1.15,1281 0.868,1282 0.824,1283 1.124,1284 1.037,1285 0.18,1286 1.072,1287 4.143,1289 5.509,1291 7.083,1293 8.758,1295 10.486,1297 1.907,1298 6.246,1302 31.412,1303 1.726,1306 6.002,1308 -1.171,1309 1.992,1314 31.691,1315 77.791,1316 187.395,1317 235.714,1318 253.323,1319 257.323,1320 257.323,1321 75.75,1322 7.763,1323 94.14,1324 94.14,1325 24,1326 12.861,1327 3.907,1328 3.17,1329 41.985,1330 89,1331 100,1332 0.23,1333 194.325,1334 349.66,1335 465.914,1336 23209,1337 2.1,1338 19.999,1339 0.714,1340 0.571,1341 20.499,1342 15.979,1343 13.363,1344 0.431,1345 0.303,1346 8.911,1347 12.577,1348 8.688,1349 7.114,1350 13.652,1351 9.385,1352 12.703,1353 0.276,1354 0.166,1355 13.073,1356 7.619,1357 10.729,1358 0.168,1359 0.088,1360 11.087,1361 5.623,1362 9.774,1363 0.109,1364 0.046,1365 10.095,1366 4.129,1367 7.63,1368 0.065,1369 0.024,1370 7.839,1371 2.889,1372 0.344,1373 87.177,1374 0.223,1375 25.805,1376 0.687,1377 154,1378 479.769,1379 183.89,1380 486.378,1381 643.28,1382 450,1383 187,1384 441.866,1385 214.054,1386 455.072,1387 675.25,1388 428,1389 5.5}
{0 CHEMBL424872,1 1.811,2 11.192,3 1.429,4 2.043,5 97.336,6 8.51,7 0.444,8 3.879,9 3.975,10 3.689,11 3.445,12 5.1,13 3.412,14 4.383,15 4.523,16 3.928,17 3.767,18 5.786,19 3.735,20 4.602,21 4.76,22 3.995,23 3.869,24 5.97,25 3.839,26 4.623,27 4.797,28 3.914,29 3.812,30 6.061,31 3.777,32 4.598,33 4.812,34 3.742,35 3.726,36 5.925,37 3.667,38 4.441,39 4.637,40 3.639,41 3.634,42 5.718,43 3.57,44 4.455,45 4.662,46 3.535,47 3.545,48 5.874,49 3.476,50 4.355,51 4.612,52 3.445,53 3.463,54 5.441,55 3.367,56 0.141,57 0.666,58 9.712,59 4.313,60 26.951,61 4.52,62 0.44,63 0.981,64 18.329,65 7.04,66 64.234,67 7.924,68 0.559,69 1.16,70 22.194,71 8.065,72 84.597,73 9.048,74 0.597,75 1.177,76 22.141,77 7.764,78 93.037,79 9.158,80 0.712,81 1.091,82 22.106,83 7.151,84 101.799,85 9.194,86 0.412,87 0.977,88 19.93,89 6.604,90 79.259,91 8.196,92 0.668,93 0.941,94 20.102,95 6.023,96 118.13,97 7.309,98 0.466,99 0.824,100 20.756,101 6.251,102 79.277,103 8.188,104 60,105 38,106 0.312,107 0.693,108 0.81,109 0.84,110 0.84,111 0.84,112 3.303,113 1.062,114 -2.18,115 -2.23,116 -2.2,119 38.6,120 1,124 1,125 2,142 5,143 2,144 2,146 1,147 1,158 2,163 1,164 1,165 1,172 4,174 2,175 5,178 1,180 3,183 5,185 2,187 1,188 5,191 1,193 3,196 2,199 2,200 8,202 3,203 3,205 2,208 1,212 1,213 6,215 1,216 2,217 1,218 1,220 1,221 1,225 5,230 1,233 3,235 1,237 1,238 4,241 3,243 2,246 3,248 1,250 2,255 2,258 2,260 2,263 2,264 3,269 2,272 3,274 2,276 1028,277 16.85,278 16.85,279 16.85,280 16.85,281 16.85,282 14.865,283 19.76,284 9.791,285 17.416,286 13.183,287 13.183,288 13.183,289 13.183,290 13.183,291 9.931,292 20.266,293 4.429,294 14.044,295 3.649,296 1.436,297 0.753,298 0.58,299 0.58,300 0.58,301 3.961,304 1,305 1,306 1,307 589,308 4.123,312 198.651,319 1.746,320 44.01,322 1,323 1,324 1,325 1,326 0.8,328 0.83,329 1,330 0.8,331 58,332 291,333 4.801,334 5.18,335 7.111,336 4.179,337 3.313,338 4.66,339 2.95,340 11.657,341 2.971,342 4.473,343 4.087,344 6.504,345 4.043,346 3.078,347 4.167,348 2.035,349 10.156,350 2.845,351 3.979,352 3.569,353 5.954,354 3.618,355 2.63,356 3.438,357 1.081,358 8.288,359 2.585,360 3.861,361 3.074,362 5.352,363 3.438,364 2.447,365 3.296,366 0.86,367 6.994,368 2.411,369 3.341,370 2.789,371 5.062,372 2.922,373 2.01,374 2.558,375 0.473,376 5.777,377 1.824,378 3.282,379 2.516,380 4.59,381 2.635,382 1.667,383 2.337,385 4.735,386 1.603,387 3.112,388 2.374,389 4.29,390 2.414,391 1.436,392 2.023,394 3.904,395 1.393,396 2.765,397 1.876,398 3.609,399 2.085,400 1.176,401 1.5,403 2.345,404 1.059,405 2.5,406 1.538,407 3.414,408 2,409 1,410 1.44,412 2.275,413 1,414 2.181,415 1.311,416 3.13,417 1.71,418 0.778,419 1.03,421 1.41,422 0.721,423 1.804,424 1,425 2.922,426 1.44,427 0.45,428 0.579,430 0.946,431 0.44,432 1.345,433 0.848,434 2.677,435 0.709,436 -0.218,437 -0.297,439 -0.33,440 -0.2,441 1,442 0.794,443 2.6,444 0.62,445 -0.31,446 -0.428,448 -0.668,449 -0.287,450 1,451 0.08,452 2.302,453 0.554,454 -0.423,455 -0.537,457 -0.989,458 -0.401,459 0.965,460 -0.096,461 2,462 0.161,463 -0.803,464 -1.019,466 -1.722,467 -0.76,468 12.267,469 0.472,470 0.829,471 0.032,472 36.75,473 1.413,474 20.5,475 0.788,476 16.25,477 0.625,478 18.343,479 0.706,480 28.533,481 0.648,482 29.306,483 1.127,484 7.13,485 0.274,486 5.127,487 0.197,488 0.228,489 0.068,490 0.285,496 0.669,497 1.25,498 0.837,499 1.204,500 0.675,501 0.931,502 0.767,503 1.098,504 0.97,505 1.088,506 0.553,507 0.893,508 1.205,509 1.128,510 0.983,511 1.006,512 1.048,513 0.966,514 1.067,515 1.135,516 1.009,517 1.09,518 1.032,519 1.121,520 0.979,521 0.854,522 0.835,523 0.765,524 0.969,525 0.957,526 1.003,527 1.227,528 1.043,529 1.144,530 1.041,531 1.136,532 1.261,533 0.883,534 1.123,535 0.862,536 1.292,537 1.076,538 0.9,539 0.718,540 0.742,541 0.695,542 0.882,543 0.762,544 7,545 0.132,546 3.778,547 1.875,548 1.627,549 1.25,550 0.426,551 0.271,552 0.329,553 0.203,554 7547,555 28170,556 1.901,557 40.9,559 12,562 3,564 3,567 1.687,568 1.724,569 3.434,570 1.05,571 1,572 1,577 79.669,578 1.811,579 4.023,580 4.707,581 4.88,582 4.88,583 4.88,584 2.888,585 3.902,586 4.673,587 3.656,588 1188.19,589 8.076,590 15385.3,592 1,594 1,595 240.215,596 1.725,597 4.583,598 0.259,599 0.007,600 0.099,601 0.047,602 0.045,603 0.042,604 0.016,605 0.012,606 0.016,607 0.009,608 0.552,609 0.33,610 1,611 1.231,612 129.17,613 -0.013,614 -0.032,615 0.169,616 -0.013,617 -0.124,618 0.043,619 0.125,620 -0.025,621 0.025,622 0.002,623 0.173,624 0.085,625 -0.154,626 -0.117,627 -0.071,628 -0.032,629 -0.096,630 -0.023,631 -0.056,632 -0.115,633 -0.149,634 -0.19,635 -0.04,636 -0.2,637 -0.004,638 0.105,639 -0.036,640 0.05,641 -0.059,642 -0.019,643 -0.141,644 -0.234,645 -0.14,646 -0.202,647 -0.114,648 -0.164,649 -0.164,650 0.106,651 -0.242,652 -0.016,653 -0.142,654 -0.169,655 -0.06,656 0.178,657 0.203,658 0.213,659 -0.084,660 0.267,661 4.184,662 5.289,663 0.462,664 24.698,665 1.022,666 1.129,667 0.955,668 0.912,669 0.678,670 3.332,671 3.664,672 3.85,673 4.007,674 4.174,675 4.234,676 4.159,677 3.989,678 4.078,679 4.094,680 6.84,681 0.655,682 374.46,683 3.332,684 4.875,685 5.7,686 6.575,687 7.421,688 8.297,689 9.149,690 10.024,691 10.879,692 11.754,693 9.1,697 1,700 1,702 1,703 1,709 5,710 1,714 6,716 12,718 1,723 1,727 1,733 1,735 44,737 16,738 1,739 27,741 45,742 17,743 11,744 2,745 4,746 1,748 2,749 2,754 1,761 1,762 12,763 4,767 3,770 1,772 3,776 1,779 1,780 1,783 18,784 8,785 3,786 9,787 1,792 4,797 1,798 4,809 1,816 2,843 2,845 1,847 2,851 26,852 1,854 1,858 2,860 1,861 1,866 1,870 1,872 1,874 9.1,877 3,879 1,881 15.083,882 8.483,883 5.833,884 2.449,886 2.453,887 1.364,888 0.95,889 6.201,890 9.187,891 3.664,892 4.263,893 4.749,894 5.247,895 5.716,896 5.96,897 6.131,898 5.815,899 6.076,900 6.332,901 1,902 40,903 9.748,905 4.283,906 8.272,907 17.468,909 13.813,911 2.772,912 72.083,916 176.567,917 115.697,918 98.753,920 80.458,922 6.046,923 109.651,924 257.024,925 98.753,926 16.016,927 24.709,928 86.324,929 107.55,930 55.495,931 4.815,932 176.567,934 176.567,935 208.404,936 80.458,937 6.046,939 141.253,940 115.771,943 67.35,944 124.268,945 22.831,947 176.567,948 179.211,949 115.697,951 6.046,952 176.567,953 29.653,954 63.397,955 34.612,956 161.2,957 176.567,958 179.211,959 115.697,961 0.584,962 0.335,963 0.167,964 0.089,965 16,966 9,967 0.133,968 6,970 1,971 3.655,972 201.98,974 12,975 116.211,980 1,981 19.711,982 8.179,983 4.955,985 179.211,986 7.485,987 4.037,991 1.15,993 50.908,994 471.474,995 38,998 -3.267,1000 35.169,1004 -0.491,1007 44.978,1008 49.657,1009 0.332,1010 0.737,1011 0.862,1012 0.894,1013 0.894,1014 0.894,1015 4.913,1016 1.176,1017 5.74,1018 3.904,1019 4.344,1020 4.949,1021 3.432,1022 6.583,1023 4.227,1024 6.177,1025 1,1026 7.34,1027 2.345,1028 4.205,1029 5.112,1031 7.789,1032 3.972,1033 7.538,1034 0.778,1035 9.053,1036 2.275,1037 6.033,1038 7.282,1039 5.251,1040 10.756,1041 5.773,1042 8.938,1043 0.45,1044 10.831,1045 1.41,1046 6.661,1047 8.223,1049 12.724,1050 6.26,1051 10.371,1052 -0.218,1053 12.65,1054 0.946,1055 8.047,1056 9.96,1057 7.29,1058 15.305,1059 7.607,1060 11.827,1061 -0.31,1062 14.498,1063 -0.33,1064 8.988,1065 11.221,1067 17.555,1068 8.405,1069 13.301,1070 -0.423,1071 16.365,1072 -0.668,1073 10.225,1074 12.813,1075 9.398,1076 20.025,1077 9.58,1078 3.313,1079 -0.803,1080 18.248,1081 -0.989,1082 11.298,1083 14.213,1085 22.385,1086 10.517,1087 3.078,1088 11.657,1089 20.142,1090 -1.722,1091 12.486,1092 15.754,1093 11.535,1094 24.825,1095 11.623,1096 2.63,1097 10.156,1098 22.046,1099 4.66,1100 13.615,1101 17.218,1103 27.23,1104 12.624,1105 2.447,1106 8.288,1107 23.958,1108 4.167,1109 14.79,1110 18.743,1111 13.686,1112 29.665,1113 13.702,1114 2.01,1115 6.994,1116 25.876,1117 3.438,1118 15.945,1119 20.237,1121 32.09,1122 14.736,1123 1.667,1124 5.777,1125 27.8,1126 3.296,1127 17.118,1128 21.759,1129 15.844,1130 34.528,1131 15.804,1132 1.436,1133 4.735,1134 29.728,1135 2.558,1136 18.285,1137 23.269,1139 36.963,1140 16.854,1141 7747,1142 15098,1143 16.701,1144 29.818,1145 41.233,1146 45.882,1147 41.949,1148 40.109,1149 39.97,1150 54.059,1151 14.797,1152 116.976,1153 37.702,1154 5.674,1155 7.18,1156 6.874,1157 5.233,1158 5.313,1159 7.66,1160 5.9,1161 18.545,1162 4.971,1163 17.639,1164 1.527,1165 1.699,1166 1.554,1167 1.486,1168 1.48,1169 2.002,1170 0.548,1171 4.332,1172 1.396,1173 4.082,1174 4.064,1175 4.735,1176 4.095,1177 7.716,1178 3.996,1179 3.94,1180 3.96,1181 3.927,1182 3.817,1183 7.429,1184 3.835,1185 3.708,1186 3.709,1187 3.743,1188 3.641,1189 6.999,1190 3.574,1191 3.486,1192 3.546,1193 3.41,1194 3.274,1195 6.82,1196 3.282,1197 3.408,1198 3.453,1199 3.271,1200 3.203,1201 5.111,1202 3.218,1203 3.111,1204 3.179,1205 3.043,1206 2.927,1207 4.761,1208 2.935,1209 2.986,1210 3.094,1211 2.846,1212 2.735,1213 4.692,1214 2.73,1215 2.854,1216 2.925,1217 2.725,1218 2.703,1219 4.285,1220 2.715,1221 0.178,1222 0.192,1223 0.263,1224 0.155,1225 0.123,1226 4.801,1227 0.173,1228 5.18,1229 0.109,1230 7.111,1231 0.432,1232 4.179,1233 0.11,1234 3.313,1235 4.66,1236 2.95,1237 11.657,1238 2.971,1239 1.986,1240 1.996,1241 2.023,1242 2.051,1243 1.247,1244 2.087,1245 1.858,1246 1.836,1247 1.911,1248 1.998,1249 0.99,1250 1.98,1251 1.602,1252 1.611,1253 1.782,1254 1.753,1255 0.945,1256 1.795,1257 1.462,1258 1.392,1259 1.618,1260 1.698,1261 0.895,1262 1.73,1263 1.31,1264 1.271,1265 1.498,1266 1.552,1267 0.603,1268 1.542,1269 1.058,1270 0.997,1271 1.202,1272 1.267,1273 0.218,1274 1.249,1275 0.886,1276 0.821,1277 1.181,1278 1.254,1279 0.184,1280 1.242,1281 0.886,1282 0.802,1283 1.153,1284 1.062,1285 0.102,1286 1.107,1287 4.007,1289 5.333,1291 6.849,1293 8.451,1295 10.096,1297 2.854,1301 5.786,1303 0.452,1305 2.663,1306 5.257,1312 9.094,1313 1.897,1314 28.82,1315 79.669,1316 177.022,1317 207.096,1318 214.705,1319 214.705,1320 214.705,1321 81.442,1322 6.733,1323 135.17,1324 143.55,1325 12,1326 12.297,1327 4.087,1328 3.585,1329 55.296,1330 107,1331 90,1332 0.253,1333 187,1334 330.05,1335 448.04,1336 6763,1338 19.32,1339 0.743,1340 0.582,1341 19.57,1342 15.13,1343 12.257,1344 0.454,1345 0.354,1346 7.704,1347 10.954,1348 7.298,1349 6.096,1350 13.151,1351 9.556,1352 11.468,1353 0.302,1354 0.196,1355 12.855,1356 7.436,1357 8.654,1358 0.188,1359 0.099,1360 9.411,1361 4.575,1362 6.731,1363 0.125,1364 0.051,1365 7.248,1366 2.768,1367 4.972,1368 0.078,1369 0.028,1370 5.34,1371 1.767,1372 0.405,1373 86.473,1374 0.245,1375 25.394,1376 0.673,1377 130,1378 478.738,1379 178.323,1380 480.304,1381 627.36,1382 438,1383 149,1384 417.576,1385 202.059,1386 454.737,1387 650.9,1388 422,1389 5.3}
{0 CHEMBL428690,1 1.621,2 9.179,3 3.058,4 9.351,5 107.239,6 8.372,7 0.387,8 3.998,9 4.081,10 3.643,11 3.551,12 5.185,13 3.547,14 4.526,15 4.657,16 4.068,17 3.981,18 5.672,19 3.964,20 4.86,21 5.01,22 4.257,23 4.182,24 6.024,25 4.146,26 4.993,27 5.169,28 4.32,29 4.174,30 6.329,31 4.136,32 4.957,33 5.122,34 4.179,35 4.12,36 6.224,37 4.086,38 4.873,39 5.039,40 4.168,41 4.068,42 6.187,43 4.031,44 4.776,45 4.936,46 4.086,47 3.998,48 6.148,49 3.954,50 4.756,51 4.918,52 3.985,53 3.903,54 6.093,55 3.826,56 0.15,57 0.625,58 8.515,59 4.62,60 23.107,61 5.139,62 0.27,63 1.055,64 16.568,65 7.705,66 29.558,67 9.058,68 0.531,69 1.357,70 27.094,71 11.206,72 68.163,73 13.079,74 1.093,75 1.46,76 36.08,77 12.755,78 133.607,79 15.517,80 1.022,81 1.382,82 34.357,83 11.916,84 133.424,85 13.411,86 0.905,87 1.309,88 30.036,89 10.934,90 121.366,91 12.641,92 0.696,93 1.213,94 25.512,95 9.96,96 115.959,97 11.638,98 0.931,99 1.116,100 29.706,101 9.737,102 118.433,103 10.744,104 37,105 46,106 0.275,107 0.664,108 0.835,109 0.897,110 0.911,111 0.911,112 3.376,113 0.908,114 -3.46,115 -3.44,116 -3.29,119 43.8,121 1,122 1,124 1,125 2,127 1,135 1,138 1,142 5,143 3,144 4,157 1,172 6,175 7,180 5,183 12,188 3,191 1,193 3,196 7,199 1,200 9,203 3,204 1,205 4,208 10,213 3,216 1,217 1,218 3,221 5,224 1,225 6,228 2,230 4,233 10,238 1,241 1,242 1,243 4,246 7,249 1,250 2,253 1,255 7,258 7,264 1,269 5,272 2,276 1194,277 18.499,278 18.499,279 18.499,280 18.499,281 18.499,282 16.626,283 20.975,284 10.547,285 18.887,286 15.261,287 15.261,288 15.261,289 15.261,290 15.261,291 12.373,292 26.694,293 4.972,294 15.985,295 3.964,296 1.681,297 0.674,298 0.307,299 0.224,300 0.224,301 4.066,302 1,305 1,306 1,307 553,308 2.449,312 286.945,316 111.001,319 1.217,320 47.636,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 61.833,332 257,333 4.68,334 3.71,335 7.072,336 4.331,337 3.355,338 4.38,339 0.86,340 12.191,341 3.274,342 4.328,343 3.357,344 6.511,345 3.955,346 2.991,347 3.939,348 0.8,349 10.125,350 2.89,351 4.047,352 3.221,353 6.393,354 3.805,355 2.836,356 3.385,358 9.659,359 2.725,360 3.67,361 2.916,362 5.686,363 3.402,364 2.441,365 2.942,367 7.384,368 2.336,369 3.508,370 2.645,371 5.27,372 3.116,373 2.189,374 2.654,376 6.377,377 2.02,378 3.267,379 2.55,380 5.016,381 2.903,382 1.979,383 2.499,385 5.617,386 1.812,387 3.087,388 2.273,389 4.948,390 2.779,391 1.829,392 2.17,394 5.502,395 1.726,396 2.963,397 2.142,398 4.719,399 2.65,400 1.673,401 2.017,403 4.653,404 1.609,405 2.86,406 1.68,407 4.184,408 2.352,409 1.414,410 1.986,412 3.565,413 1.307,414 2.572,415 1.589,416 3.922,417 2.324,418 1.365,419 1.548,421 3.106,422 1.249,423 2.384,424 1.186,425 3.589,426 2.046,427 1.071,428 1.376,430 2.745,431 1.037,432 1.581,433 0.818,434 3.418,435 1.382,436 0.444,437 0.481,439 1.154,440 0.412,441 1.393,442 0.768,443 3.084,444 0.931,445 -0.013,446 -0.016,448 -0.035,449 -0.011,450 1.159,451 0.364,452 2.696,453 0.696,454 -0.252,455 -0.275,457 -0.615,458 -0.204,459 0.876,460 0.093,461 2.523,462 0.636,463 -0.275,464 -0.387,466 -0.689,467 -0.244,468 13.281,469 0.474,470 0.895,471 0.032,472 34.5,473 1.232,474 16.5,475 0.589,476 18,477 0.643,478 25.875,479 0.924,480 30.519,481 0.636,482 28.891,483 1.032,484 6.776,485 0.242,486 6.587,487 0.235,488 0.192,490 0.444,496 0.873,497 1.115,498 0.646,499 0.899,500 0.849,501 0.837,502 0.804,503 1.014,504 0.673,505 0.896,506 0.616,507 0.841,508 0.989,509 1.074,510 0.86,511 1.032,512 0.93,513 0.985,514 0.789,515 0.975,516 0.808,517 0.994,518 0.718,519 0.917,520 1.364,521 0.904,522 0.988,523 0.883,524 1.281,525 0.91,526 1.137,527 0.949,528 0.828,529 0.899,530 1.198,531 0.92,532 1.051,533 1.153,534 0.869,535 1.036,536 1.263,537 1.043,538 1.388,539 1.055,540 1.27,541 1.081,542 1.588,543 1.181,544 6,545 0.091,546 3.778,547 3.125,548 2.316,549 1.465,550 1.157,551 0.639,552 0.39,553 0.138,554 8277,555 25573,556 2.051,557 41.7,559 14,562 3,564 3,567 1.72,568 1.867,569 3.146,570 0.917,571 1,572 1,577 77.791,578 1.621,579 3.904,580 4.911,581 5.278,582 5.361,583 5.361,584 2.594,585 4.45,586 4.78,587 3.27,588 1236.14,589 8.363,590 15412.4,592 1,594 1,595 268.078,596 1.531,597 4.711,598 0.194,599 0.011,600 0.082,601 0.06,602 0.045,603 0.031,604 0.026,605 0.016,606 0.013,607 0.007,608 0.484,609 0.5,610 1,611 0.648,612 136.101,613 -0.119,614 0.009,615 -0.008,616 0.08,617 -0.13,618 0.069,619 -0.078,620 0.11,621 0.044,622 0.064,623 0.01,624 0.087,625 -0.076,626 -0.052,627 -0.007,628 -0.055,629 -0.074,630 -0.032,631 0.259,632 -0.015,633 0.142,634 -0.019,635 0.234,636 0.058,637 -0.134,638 0.049,639 -0.067,640 0.076,641 -0.115,642 0.031,643 -0.013,644 0.031,645 0.037,646 0.055,647 -0.015,648 0.024,649 -0.01,650 -0.153,651 -0.013,652 -0.08,653 0.021,654 -0.1,655 -0.137,656 -0.097,657 -0.182,658 -0.104,659 -0.207,660 -0.244,661 2.114,662 5.769,663 0.786,664 21.786,665 1.019,666 1.118,667 2.232,668 4.982,669 0.682,670 3.466,671 3.85,672 4.174,673 4.511,674 4.779,675 4.942,676 5.094,677 5.247,678 5.342,679 5.357,680 5.48,681 0.66,682 401.87,683 3.466,684 5.043,685 5.927,686 6.845,687 7.747,688 8.672,689 9.583,690 10.511,691 11.427,692 12.357,693 2.1,696 1,709 5,714 7,716 12,721 1,732 2,733 1,734 1,735 48,737 14,738 2,739 31,741 51,742 21,743 12,744 7,745 5,746 3,748 4,749 5,750 1,757 2,758 1,760 2,762 15,763 6,764 1,767 2,772 1,774 1,776 2,780 1,783 20,784 6,785 3,786 7,787 1,792 1,797 0.75,798 5,800 1,816 4,820 1,834 2,839 1,841 1,843 3,847 1,848 1,851 28,857 3,858 3,861 1,863 2,864 1,873 1,874 10.4,875 1,876 2,877 1,879 1,881 15,882 8.693,883 6,884 2.776,886 2.696,887 1.347,888 0.919,889 5.099,890 10.458,891 3.689,892 4.304,893 4.894,894 5.485,895 6.015,896 6.353,897 6.695,898 7.089,899 7.422,900 7.706,901 1,902 52,903 10.505,905 4.798,906 8.028,907 19.44,909 16.632,911 2.528,912 70.778,915 1,916 200.109,917 100.677,918 3.124,919 39.149,920 164.195,923 100.677,924 403.452,925 3.124,926 8.396,927 6.746,928 99.541,929 120.889,930 32.425,932 200.109,933 39.149,934 200.109,935 103.802,936 164.195,937 39.149,939 164.795,940 156.825,941 42.683,943 9.87,944 79.212,945 53.868,947 200.109,948 167.319,949 139.826,952 200.109,953 35.424,954 68.378,956 203.343,957 200.109,958 167.319,959 139.826,961 0.598,962 0.361,963 0.206,964 0.113,965 24,966 12,967 0.039,968 2,969 1,970 1.091,971 3.692,972 264.84,973 0.091,974 22,975 134.606,981 19.273,982 7.408,983 3.43,985 167.319,986 8.076,991 0.759,993 128.05,994 507.254,995 39,1000 12.769,1002 1.273,1004 -0.214,1007 48.898,1008 53.641,1009 0.29,1010 0.699,1011 0.879,1012 0.945,1013 0.96,1014 0.96,1015 4.977,1016 1.673,1017 5.953,1018 5.502,1019 4.533,1020 4.99,1021 1.235,1022 6.843,1023 4.444,1024 6.204,1025 1.414,1026 7.565,1027 4.653,1028 4.29,1029 4.924,1030 0.325,1031 7.892,1032 4.143,1033 7.535,1034 1.365,1035 9.276,1036 3.565,1037 6.201,1038 7.18,1039 0.938,1040 11.052,1041 6.053,1042 8.899,1043 1.071,1044 11.045,1045 3.106,1046 6.735,1047 7.9,1048 0.268,1049 12.926,1050 6.541,1051 10.295,1052 0.444,1053 12.851,1054 2.745,1055 8.171,1056 9.69,1057 0.732,1058 15.627,1059 7.973,1060 11.714,1061 -0.013,1062 14.684,1063 1.154,1064 9.061,1065 10.784,1066 0.188,1067 17.847,1068 8.828,1069 13.153,1070 -0.252,1071 16.536,1072 -0.035,1073 10.323,1074 12.385,1075 0.57,1076 20.393,1077 10.077,1078 3.355,1079 -0.275,1080 18.403,1081 -0.615,1082 11.373,1083 13.663,1084 0.125,1085 22.761,1086 11.099,1087 2.991,1088 12.191,1089 20.282,1090 -0.689,1091 12.574,1092 15.182,1093 0.438,1094 25.257,1095 12.283,1096 2.836,1097 10.125,1098 22.171,1099 4.38,1100 13.697,1101 16.55,1102 0.082,1103 27.69,1104 13.381,1105 2.441,1106 9.659,1107 24.069,1108 3.939,1109 14.881,1110 18.034,1111 0.334,1112 30.173,1113 14.544,1114 2.189,1115 7.384,1116 25.972,1117 3.385,1118 16.037,1119 19.447,1120 0.054,1121 32.636,1122 15.677,1123 1.979,1124 6.377,1125 27.882,1126 2.942,1127 17.219,1128 20.917,1129 0.252,1130 35.12,1131 16.838,1132 1.829,1133 5.617,1134 29.796,1135 2.654,1136 18.393,1137 22.355,1138 0.035,1139 37.597,1140 17.99,1141 8013,1142 14218,1143 20.115,1144 32.75,1145 47.97,1146 49.277,1147 50.464,1148 47.407,1149 47.178,1150 58.757,1151 3.32,1152 144.157,1153 44.794,1154 5.68,1155 5.71,1156 6.757,1157 5.432,1158 5.355,1159 7.38,1160 1.72,1161 19.814,1162 5.274,1163 16.158,1164 1.547,1165 1.59,1166 1.628,1167 1.529,1168 1.522,1169 1.895,1170 0.107,1171 4.65,1172 1.445,1173 4.063,1174 4.072,1175 4.071,1176 3.98,1177 7.428,1178 3.989,1179 3.892,1180 3.92,1181 3.94,1182 3.837,1183 6.492,1184 3.831,1185 3.777,1186 3.816,1187 3.692,1188 3.627,1189 6.449,1190 3.633,1191 3.456,1192 3.474,1193 3.42,1194 3.323,1195 6.444,1196 3.335,1197 3.254,1198 3.324,1199 3.285,1200 3.042,1201 4.967,1202 3.046,1203 3.148,1204 3.222,1205 3.115,1206 2.945,1207 4.699,1208 2.931,1209 2.997,1210 3.011,1211 2.961,1212 2.824,1213 4.34,1214 2.828,1215 2.88,1216 2.922,1217 2.886,1218 2.784,1219 4.3,1220 2.765,1221 0.151,1222 0.12,1223 0.228,1224 0.14,1225 0.108,1226 4.68,1227 0.141,1228 3.71,1229 0.028,1230 7.072,1231 0.393,1232 4.331,1233 0.106,1234 3.355,1235 4.38,1236 0.86,1237 12.191,1238 3.274,1239 1.991,1240 1.984,1241 2.077,1242 2.1,1243 1.426,1244 2.092,1245 1.885,1246 1.863,1247 1.993,1248 1.985,1249 1.128,1250 1.992,1251 1.734,1252 1.693,1253 1.869,1254 1.891,1255 1.029,1256 1.89,1257 1.403,1258 1.383,1259 1.587,1260 1.574,1261 0.781,1262 1.569,1263 1.226,1264 1.147,1265 1.501,1266 1.477,1267 0.712,1268 1.488,1269 1.145,1270 1.071,1271 1.472,1272 1.398,1273 0.562,1274 1.427,1275 0.911,1276 0.888,1277 1.176,1278 1.173,1279 0.38,1280 1.15,1281 0.868,1282 0.824,1283 1.124,1284 1.037,1285 0.18,1286 1.072,1287 4.143,1289 5.509,1291 7.083,1293 8.758,1295 10.486,1297 1.907,1298 6.246,1302 31.412,1303 1.726,1306 6.002,1308 -1.171,1309 1.992,1314 31.691,1315 77.791,1316 187.395,1317 235.714,1318 253.323,1319 257.323,1320 257.323,1321 75.75,1322 7.763,1323 94.14,1324 94.14,1325 24,1326 12.861,1327 3.907,1328 3.17,1329 41.985,1330 89,1331 100,1332 0.23,1333 194.325,1334 349.66,1335 465.914,1336 23209,1337 2.1,1338 19.999,1339 0.714,1340 0.571,1341 20.499,1342 15.979,1343 13.363,1344 0.431,1345 0.303,1346 8.911,1347 12.577,1348 8.688,1349 7.114,1350 13.652,1351 9.385,1352 12.703,1353 0.276,1354 0.166,1355 13.073,1356 7.619,1357 10.729,1358 0.168,1359 0.088,1360 11.087,1361 5.623,1362 9.774,1363 0.109,1364 0.046,1365 10.095,1366 4.129,1367 7.63,1368 0.065,1369 0.024,1370 7.839,1371 2.889,1372 0.344,1373 87.177,1374 0.223,1375 25.805,1376 0.687,1377 154,1378 479.769,1379 183.89,1380 486.378,1381 643.28,1382 450,1383 187,1384 441.866,1385 214.054,1386 455.072,1387 675.25,1388 428,1389 5.027}
{0 CHEMBL437747,1 1.487,2 11.029,3 7.07,4 49.989,5 144.886,6 7.443,7 0.436,8 4.317,9 4.453,10 3.891,11 3.877,12 5.256,13 3.826,14 4.916,15 5.115,16 4.283,17 4.313,18 5.804,19 4.225,20 5.236,21 5.495,22 4.446,23 4.473,24 6.059,25 4.348,26 5.233,27 5.497,28 4.347,29 4.441,30 6.065,31 4.336,32 5.184,33 5.416,34 4.434,35 4.498,36 6.09,37 4.415,38 5.269,39 5.478,40 4.533,41 4.626,42 6.187,43 4.524,44 5.426,45 5.664,46 4.542,47 4.709,48 6.272,49 4.567,50 5.503,51 5.77,52 4.521,53 4.688,54 6.32,55 4.516,56 0.049,57 1.039,58 15.05,59 6.273,60 8.005,61 8.976,62 0.264,63 1.727,64 30.658,65 11.366,66 23.997,67 16.352,68 0.452,69 2.122,70 52.47,71 15.483,72 44.48,73 22.559,74 0.461,75 2.171,76 47.84,77 14.077,78 41.945,79 21.186,80 0.526,81 2.217,82 42.043,83 13.257,84 43.458,85 19.875,86 0.429,87 2.412,88 44.433,89 15.586,90 42.766,91 22.902,92 0.43,93 2.612,94 54.977,95 19.355,96 49.902,97 28.179,98 0.542,99 2.6,100 66.759,101 21.1,102 61.603,103 30.478,104 12,105 54,106 0.234,107 0.53,108 0.718,109 0.829,110 0.846,111 0.846,112 3.589,113 1.058,114 -6.41,115 -6.24,116 -5.8,119 39.1,120 1,121 8,122 1,125 3,127 1,142 4,143 1,144 2,145 1,146 2,150 1,152 1,161 1,172 10,174 2,175 6,178 2,180 4,183 9,187 1,188 9,193 3,196 8,199 1,200 10,205 2,208 5,212 1,213 11,216 3,221 12,224 1,225 9,228 1,230 1,233 16,238 8,243 6,246 9,250 9,253 1,255 8,258 9,264 4,269 2,272 14,276 2504,277 24.214,278 24.214,279 24.214,280 24.214,281 24.214,282 22.19,283 25.741,284 14.609,285 24.849,286 19.28,287 19.28,288 19.28,289 19.28,290 19.28,291 16.147,292 33.9,293 6.916,294 20.485,295 4.621,296 2.746,297 1.551,298 0.844,299 0.736,300 0.736,301 4.298,302 2,307 842,308 2.915,311 96.809,312 457.476,319 1.574,320 25.987,323 0.5,324 0.67,325 0.67,326 0.8,327 1,328 0.67,329 1,330 0.76,331 73.667,332 386,333 4.694,334 3.449,335 7.065,336 4.302,337 3.35,338 4.442,339 0.4,340 12.23,341 3.19,342 4.209,343 3.297,344 6.271,345 3.775,346 2.841,347 3.854,348 0.4,349 9.36,350 2.693,351 4.058,352 2.916,353 6.008,354 3.702,355 2.762,356 3.608,358 8.553,359 2.584,360 3.776,361 2.781,362 5.741,363 3.543,364 2.593,365 3.077,367 7.795,368 2.457,369 3.583,370 2.475,371 5.567,372 3.314,373 2.376,374 2.81,376 7.332,377 2.175,378 3.383,379 2.317,380 5.243,381 3.133,382 2.197,383 2.46,385 6.429,386 1.975,387 3.143,388 2.137,389 4.94,390 2.88,391 1.932,392 2.243,394 5.552,395 1.824,396 2.824,397 2.038,398 4.462,399 2.51,400 1.567,401 1.954,403 4.021,404 1.475,405 2.776,406 1.815,407 4.279,408 2.429,409 1.455,410 1.872,412 3.714,413 1.41,414 2.747,415 1.518,416 4.037,417 2.317,418 1.414,419 1.818,421 3.503,422 1.283,423 2.584,424 1.418,425 3.615,426 2.296,427 1.345,428 1.608,430 3.034,431 1.196,432 2.423,433 1.208,434 3.553,435 2.119,436 1.178,437 1.421,439 2.668,440 1.103,441 2.15,442 1.077,443 3.471,444 2,445 1,446 1.086,448 2.379,449 1,450 2.087,451 1.025,452 3.325,453 1.984,454 1,455 1.054,457 2.136,458 0.983,459 2,460 1,461 3.247,462 1.924,463 0.962,464 1,466 2.136,467 0.915,468 17.329,469 0.495,470 0.709,471 0.02,472 39.75,473 1.136,474 16.5,475 0.471,476 23.25,477 0.664,478 41.183,479 1.177,480 38.471,481 0.558,482 29.095,483 0.831,484 6.63,485 0.189,486 10.505,487 0.3,488 0.111,490 0.312,496 0.777,497 1.447,498 0.657,499 1.036,500 0.646,501 0.988,502 0.757,503 1.194,504 0.713,505 0.989,506 0.579,507 0.999,508 0.89,509 1.054,510 0.721,511 0.852,512 0.706,513 0.857,514 1.125,515 1.026,516 0.769,517 0.789,518 0.905,519 0.806,520 1.039,521 0.942,522 0.722,523 0.787,524 0.956,525 0.846,526 0.864,527 1.201,528 0.781,529 1.051,530 0.926,531 1.087,532 0.775,533 1.163,534 0.79,535 1.065,536 0.898,537 1.099,538 0.947,539 1.086,540 0.941,541 1.03,542 0.991,543 1.045,544 5.5,545 0.165,546 3.333,547 2.479,548 2.213,549 1.313,550 0.902,551 0.735,552 0.591,553 0.348,554 16562,555 37955,556 2.141,557 49.3,558 9,559 11,561 1,562 2,563 1,564 10,567 1.778,568 2.039,569 3.394,570 0.162,577 102.623,578 1.487,579 3.362,580 4.558,581 5.264,582 5.373,583 5.373,584 2.85,585 4.901,586 5.096,587 3.576,588 2127.76,589 9.012,590 32099,595 421.488,596 1.271,597 5.076,598 0.141,599 0.005,600 0.062,601 0.043,602 0.038,603 0.02,604 0.013,605 0.011,606 0.01,607 0.008,608 0.352,609 0.17,610 0.63,611 0.743,612 185.239,613 -0.019,614 -0.179,615 0.03,616 -0.031,617 0.04,618 0.012,619 0.106,620 -0.036,621 0.038,622 -0.024,623 0.175,624 -0.025,625 0.069,626 -0.034,627 0.161,628 0.102,629 0.174,630 0.112,631 -0.08,632 0.032,633 0.052,634 0.119,635 0.017,636 0.129,637 -0.02,638 0.21,639 0.011,640 0.116,641 -0.024,642 0.083,643 0.006,644 -0.05,645 -0.05,646 -0.102,647 -0.036,648 -0.123,649 0.007,650 -0.111,651 -0.013,652 -0.095,653 -0.064,654 -0.114,655 -0.004,656 -0.112,657 0.009,658 -0.052,659 -0.029,660 -0.061,661 1.133,662 2.331,663 0.829,664 36.642,665 0.993,666 1.132,667 5.184,668 26.873,669 0.669,670 3.689,671 4.007,672 4.317,673 4.635,674 4.927,675 5.069,676 5.268,677 5.46,678 5.595,679 5.666,680 6.736,681 0.619,682 513.57,683 3.689,684 5.231,685 6.094,686 6.982,687 7.871,688 8.773,689 9.675,690 10.586,691 11.496,692 12.413,693 8.7,695 1,698 1,701 1,703 3,709 5,710 3,714 8,715 1,716 17,728 1,734 2,735 69,737 17,738 1,739 39,741 73,742 27,743 13,744 3,745 3,748 5,749 5,750 2,754 1,757 8,758 1,760 9,762 13,763 14,764 1,783 34,784 5,785 2,786 8,787 2,789 1,792 6,797 1,810 1,815 1,816 4,838 1,843 5,847 1,848 2,851 35,858 11,860 2,863 2,873 2,881 17.167,882 12.419,883 7.778,884 4.873,886 2.969,887 1.365,888 0.991,889 8.161,890 11.112,891 3.882,892 4.446,893 5.036,894 5.647,895 6.206,896 6.595,897 7.055,898 7.512,899 7.899,900 8.184,901 1,902 57,903 13.002,905 5.535,906 7.463,907 25.843,909 22.033,911 1.963,912 68.722,916 376.675,917 105.055,918 88.277,919 78.297,923 105.055,924 454.973,925 88.277,926 8.825,927 26.593,928 55.916,929 82.466,930 26.647,931 4.656,932 364.904,933 78.297,934 376.675,935 193.332,937 78.297,939 258.964,940 117.711,943 74.116,944 50.849,945 146.665,947 376.675,948 88.277,949 183.352,952 376.675,953 49.277,954 57.677,955 36.022,956 128.654,957 376.675,958 88.277,959 183.352,961 0.571,962 0.338,963 0.194,964 0.116,965 26,966 11,967 0.096,968 7,970 1,971 4.421,972 352.649,974 29,975 171.525,981 24.858,982 11.491,983 5.627,985 86.378,986 9.635,987 14.839,991 6.712,992 2.389,993 36.022,994 648.305,995 47.5,1007 68.512,1008 78.106,1009 0.243,1010 0.55,1011 0.746,1012 0.862,1013 0.88,1014 0.88,1015 5.131,1016 1.567,1017 6.066,1018 5.552,1019 4.691,1020 5.133,1021 0.495,1022 6.895,1023 4.573,1024 6.307,1025 1.455,1026 7.627,1027 4.021,1028 4.205,1029 4.902,1031 7.828,1032 3.97,1033 7.606,1034 1.414,1035 9.294,1036 3.714,1037 6.286,1038 7.286,1039 0.097,1040 10.992,1041 6.063,1042 8.944,1043 1.345,1044 11.026,1045 3.503,1046 6.673,1047 7.945,1049 12.827,1050 6.348,1051 10.323,1052 1.178,1053 12.802,1054 3.034,1055 8.192,1056 9.79,1057 0.016,1058 15.515,1059 7.867,1060 11.729,1061 1,1062 14.609,1063 2.668,1064 8.994,1065 10.861,1067 17.733,1068 8.586,1069 13.158,1070 1,1071 16.439,1072 2.379,1073 10.289,1074 12.487,1075 0.003,1076 20.277,1077 9.863,1078 3.35,1079 0.962,1080 18.288,1081 2.136,1082 11.291,1083 13.76,1085 22.659,1086 10.799,1087 2.841,1088 12.23,1089 20.152,1090 2.136,1091 12.502,1092 15.292,1094 25.164,1095 11.98,1096 2.762,1097 9.36,1098 22.028,1099 4.442,1100 13.602,1101 16.665,1103 27.615,1104 13.023,1105 2.593,1106 8.553,1107 23.914,1108 3.854,1109 14.788,1110 18.16,1112 30.111,1113 14.172,1114 2.376,1115 7.795,1116 25.81,1117 3.608,1118 15.935,1119 19.584,1121 32.591,1122 15.267,1123 2.197,1124 7.332,1125 27.714,1126 3.077,1127 17.118,1128 21.066,1130 35.089,1131 16.408,1132 1.932,1133 6.429,1134 29.624,1135 2.81,1136 18.29,1137 22.516,1139 37.582,1140 17.531,1141 15599,1142 23928,1143 26.641,1144 46.171,1145 58.23,1146 58.982,1147 59.648,1148 58.098,1149 57.918,1150 70.924,1151 1.6,1152 165.756,1153 54.286,1154 5.694,1155 5.449,1156 6.867,1157 5.376,1158 5.35,1159 7.442,1160 0.8,1161 19.769,1162 5.19,1163 13.799,1164 1.493,1165 1.512,1166 1.529,1167 1.49,1168 1.485,1169 1.819,1170 0.041,1171 4.25,1172 1.392,1173 4.106,1174 4.151,1175 4.152,1176 3.988,1177 5.084,1178 4,1179 3.887,1180 3.947,1181 3.989,1182 3.784,1183 4.999,1184 3.78,1185 3.847,1186 3.881,1187 3.779,1188 3.743,1189 4.788,1190 3.736,1191 3.779,1192 3.834,1193 3.67,1194 3.639,1195 4.49,1196 3.643,1197 3.656,1198 3.728,1199 3.562,1200 3.477,1201 4.35,1202 3.482,1203 3.453,1204 3.528,1205 3.402,1206 3.291,1207 4.294,1208 3.285,1209 3.203,1210 3.29,1211 3.346,1212 3.014,1213 4.187,1214 3.008,1215 3.111,1216 3.206,1217 3.158,1218 2.941,1219 4.061,1220 2.91,1221 0.12,1222 0.088,1223 0.181,1224 0.11,1225 0.086,1226 4.694,1227 0.114,1228 3.449,1229 0.01,1230 7.065,1231 0.314,1232 4.302,1233 0.082,1234 3.35,1235 4.442,1236 0.4,1237 12.23,1238 3.19,1239 1.919,1240 1.899,1241 2.095,1242 2.063,1243 1.476,1244 2.067,1245 1.876,1246 1.825,1247 2.05,1248 2.028,1249 1.41,1250 2.042,1251 1.856,1252 1.799,1253 1.971,1254 1.979,1255 1.203,1256 1.988,1257 1.748,1258 1.702,1259 1.913,1260 1.895,1261 1.094,1262 1.903,1263 1.623,1264 1.551,1265 1.817,1266 1.829,1267 0.88,1268 1.842,1269 1.275,1270 1.219,1271 1.513,1272 1.522,1273 0.825,1274 1.525,1275 1.237,1276 1.168,1277 1.513,1278 1.451,1279 0.825,1280 1.462,1281 1.168,1282 1.096,1283 1.511,1284 1.376,1285 0.803,1286 1.429,1287 4.369,1289 5.687,1290 2.398,1291 7.209,1292 4.844,1293 8.822,1294 7.066,1295 10.485,1297 2.213,1298 12.695,1303 12.308,1305 7.072,1308 0.86,1314 42.685,1315 102.623,1316 231.987,1317 314.469,1318 363.224,1319 370.733,1320 370.733,1321 57.74,1322 8.143,1323 67.66,1324 67.66,1325 29,1326 12.926,1327 4.17,1328 3.248,1329 51.613,1330 132,1331 170,1332 0.18,1333 266.809,1334 456.46,1335 642.774,1336 37369,1337 2.9,1338 24.2,1339 0.691,1340 0.625,1341 25.2,1342 21.876,1343 17.135,1344 0.439,1345 0.353,1346 12.949,1347 16.15,1348 12.632,1349 10.451,1350 17.713,1351 13.758,1352 15.052,1353 0.279,1354 0.195,1355 15.793,1356 10.531,1357 12.964,1358 0.175,1359 0.107,1360 13.878,1361 7.917,1362 11.068,1363 0.109,1364 0.056,1365 11.454,1366 5.704,1367 9.503,1368 0.069,1369 0.031,1370 9.892,1371 4.266,1372 0.274,1373 111.879,1374 0.194,1375 31.543,1376 0.522,1377 186,1378 441.653,1379 229.278,1380 495.788,1381 679.18,1382 466,1383 221,1384 473.444,1385 261.774,1386 498.162,1387 741.17,1388 473,1389 5.7}
{0 CHEMBL440084,1 1.606,2 10.207,3 3.447,4 11.883,5 105.223,6 8.543,7 0.697,8 3.957,9 4.051,10 3.643,11 3.535,12 5.176,13 3.553,14 4.434,15 4.545,16 4.02,17 3.915,18 5.695,19 3.921,20 4.594,21 4.749,22 4.013,23 3.993,24 5.775,25 3.97,26 4.636,27 4.811,28 3.971,29 3.955,30 5.818,31 3.931,32 4.634,33 4.841,34 3.904,35 3.946,36 5.704,37 3.9,38 4.537,39 4.718,40 3.938,41 3.936,42 5.626,43 3.901,44 4.564,45 4.719,46 3.968,47 3.968,48 5.784,49 3.929,50 4.65,51 4.842,52 3.824,53 3.933,54 5.743,55 3.866,56 0.091,57 0.655,58 6.777,59 3.634,60 10.769,61 3.86,62 0.358,63 1.025,64 12.66,65 6.118,66 30.868,67 6.582,68 0.281,69 1.217,70 16.452,71 7.467,72 30.44,73 8.617,74 0.381,75 1.307,76 18.12,77 7.115,78 39.711,79 8.049,80 0.402,81 1.283,82 20.227,83 7.627,84 41.858,85 9.495,86 0.301,87 1.153,88 16.713,89 7.191,90 25.33,91 9.034,92 0.409,93 1.179,94 15.762,95 7.249,96 34.503,97 8.666,98 0.37,99 1.215,100 20.011,101 8.451,102 36.154,103 10.198,104 6,105 47,106 0.27,107 0.585,108 0.727,109 0.843,110 0.879,111 0.879,112 3.409,113 0.819,114 -3.52,115 -3.5,116 -3.34,119 48.9,126 1,142 10,143 3,144 2,145 1,146 2,152 1,158 1,161 1,163 1,164 1,165 1,172 11,174 1,175 7,177 1,178 2,180 2,183 9,185 1,188 11,191 1,193 6,196 4,198 2,199 1,200 9,205 7,208 2,210 2,212 1,213 6,218 4,221 8,223 1,224 1,225 4,228 1,233 14,237 2,238 4,240 1,241 3,242 1,245 1,246 15,249 1,250 6,258 10,264 7,269 1,272 4,274 1,276 1410,277 20.016,278 20.016,279 20.016,280 20.016,281 20.016,282 17.268,283 9.425,284 11.747,285 20.301,286 16.319,287 16.319,288 16.319,289 16.319,290 16.319,291 12.105,292 10.192,293 5.588,294 16.805,295 3.886,296 2.017,297 1.174,298 0.48,299 0.267,300 0.267,301 4.121,304 1,305 1,306 1,307 661,308 2.739,311 145.328,312 257.096,315 117.324,319 1.539,320 27.491,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 63,332 296,333 4.579,334 3.5,335 6.753,336 4.181,337 3.216,338 4.316,339 1.392,340 11.107,341 3.103,342 4.266,343 3.33,344 6.197,345 3.871,346 2.912,347 3.898,348 0.98,349 9.258,350 2.832,351 4.169,352 3.163,353 6.09,354 3.79,355 2.799,356 3.757,357 0.532,358 8.836,359 2.726,360 3.913,361 2.699,362 5.879,363 3.55,364 2.562,365 3.388,367 8.04,368 2.525,369 3.745,370 2.459,371 5.714,372 3.362,373 2.392,374 3.149,376 7.621,377 2.31,378 3.296,379 2.074,380 4.752,381 2.814,382 1.84,383 2.62,385 5.082,386 1.787,387 2.998,388 1.991,389 4.378,390 2.514,391 1.534,392 2.177,394 4.219,395 1.501,396 2.886,397 1.854,398 4.271,399 2.478,400 1.527,401 2.025,403 3.759,404 1.439,405 2.736,406 1.658,407 3.937,408 2.267,409 1.277,410 1.787,412 3.112,413 1.258,414 2.5,415 1.385,416 3.713,417 2.092,418 1.096,419 1.5,421 2.65,422 1.088,423 2.5,424 1.04,425 3.458,426 2,427 1,428 1.5,430 2.327,431 1,432 2.462,433 1,434 3.428,435 1.959,436 1,437 1.415,439 2.275,440 0.956,441 2.293,442 1,443 3.414,444 1.894,445 0.912,446 1.208,448 2.157,449 0.892,450 2.156,451 0.823,452 3.247,453 1.718,454 0.787,455 1.097,457 2.136,458 0.731,459 1.628,460 0.688,461 3.034,462 1.319,463 0.39,464 0.468,466 0.975,467 0.359,468 13.6,469 0.469,470 0.657,471 0.023,472 44,473 1.517,474 24.5,475 0.845,476 19.5,477 0.672,478 18.84,479 0.65,480 29,481 0.644,482 33.225,483 1.146,484 8.944,485 0.308,486 5.242,487 0.181,488 0.054,490 0.368,496 0.866,497 1.081,498 0.673,499 0.9,500 0.77,501 0.766,502 0.921,503 1.038,504 0.805,505 0.92,506 0.613,507 0.862,508 0.909,509 1.175,510 0.938,511 1.071,512 0.884,513 1.025,514 1.106,515 1.176,516 1.114,517 1.021,518 1.057,519 1.043,520 0.834,521 0.945,522 0.952,523 0.835,524 0.844,525 0.882,526 0.583,527 0.99,528 0.788,529 0.921,530 0.441,531 0.894,532 0.617,533 0.918,534 0.972,535 1.055,536 0.543,537 1.084,538 0.926,539 0.974,540 1.116,541 1.133,542 0.861,543 1.156,544 5,545 0.123,546 3.556,547 1.542,548 1.532,549 1.153,550 0.513,551 0.323,552 0.36,553 0.249,554 10909,555 32410,556 2.193,557 35.6,559 10,560 2,561 1,562 3,567 1.725,568 2.096,569 3.32,570 0.891,572 1,577 72.271,578 1.606,579 3.474,580 4.318,581 5.012,582 5.225,583 5.225,584 2.767,585 4.306,586 4.825,587 3.507,588 1423.8,589 8.438,590 18918.4,592 1,594 1,595 247.133,596 1.247,597 4.809,598 0.152,599 0.006,600 0.076,601 0.034,602 0.036,603 0.028,604 0.012,605 0.008,606 0.01,607 0.009,608 0.369,609 0.33,610 0.88,611 0.601,612 145.519,613 -0.102,614 -0.021,615 0.032,616 0.016,617 -0.152,618 0.053,619 0.074,620 -0.02,621 -0.005,622 0.016,623 0.084,624 -0.011,625 -0.082,626 -0.168,627 -0.066,628 -0.117,629 -0.032,630 -0.099,631 -0.194,632 -0.105,633 -0.198,634 -0.104,635 -0.147,636 -0.139,637 -0.07,638 0.09,639 0.024,640 0.124,641 -0.082,642 0.108,643 0.095,644 0.02,645 0.118,646 0.049,647 0.066,648 0.082,649 0.187,650 0.101,651 -0.107,652 -0.103,653 0.105,654 -0.159,655 -0.05,656 -0.03,657 -0.133,658 -0.133,659 -0.085,660 -0.141,661 2.133,662 4.338,663 0.897,664 27.581,665 1.015,666 1.114,667 2.293,668 5.256,669 0.71,670 3.526,671 3.871,672 4.19,673 4.477,674 4.718,675 4.898,676 5.1,677 5.263,678 5.434,679 5.572,680 6.293,681 0.698,682 384.42,683 3.526,684 5.081,685 5.953,686 6.843,687 7.732,688 8.63,689 9.527,690 10.43,691 11.332,692 12.238,693 8.9,700 1,701 1,703 2,709 11,710 2,711 1,714 9,716 23,722 1,733 2,735 45,737 24,738 2,739 33,741 49,742 22,743 20,744 5,745 7,746 1,748 5,749 6,762 21,763 1,767 1,772 1,776 1,779 1,780 1,783 16,784 6,785 3,786 7,789 1,792 4,797 0.8,798 3,809 1,815 2,816 3,819 1,843 4,851 29,852 1,858 1,861 2,874 6.7,877 1,879 2,881 13.833,882 8.15,883 6.25,884 2.508,886 3.474,887 1.439,888 1.054,889 4.355,890 11.38,891 3.839,892 4.474,893 5.113,894 5.728,895 6.292,896 6.697,897 7.21,898 7.665,899 8.151,900 8.584,901 0.857,902 46,903 10.65,905 4.635,906 7.799,907 20.075,909 16.64,911 2.299,912 66.667,915 1,916 153.024,917 145.807,918 83.254,920 47.145,923 145.807,924 200.169,925 83.254,927 39.547,928 94.762,929 77.52,930 73.39,931 26.299,932 117.711,934 153.024,935 229.06,936 47.145,939 153.024,940 47.145,943 73.222,944 122.267,945 33.571,947 153.024,948 130.398,949 145.807,952 153.024,953 41.997,954 103.81,955 16.786,956 113.613,957 153.024,958 130.398,959 145.807,961 0.586,962 0.346,963 0.186,964 0.099,965 25,966 10,967 0.082,968 4,969 1,970 1.077,971 4.089,972 271.172,973 0.077,974 26,975 136.881,981 17.619,982 7.169,983 3.29,985 113.613,986 20.149,987 9.283,988 3.367,991 6.527,993 49.683,994 429.229,995 45.5,1000 11.338,1004 -0.466,1007 45.691,1008 50.113,1009 0.292,1010 0.633,1011 0.786,1012 0.913,1013 0.951,1014 0.951,1015 5.074,1016 1.527,1017 5.938,1018 4.219,1019 4.554,1020 5.162,1021 1.996,1022 6.767,1023 4.496,1024 6.291,1025 1.277,1026 7.505,1027 3.759,1028 4.111,1029 4.902,1031 7.689,1032 4.028,1033 7.603,1034 1.096,1035 9.173,1036 3.112,1037 6.163,1038 7.376,1039 2.352,1040 10.803,1041 6.047,1042 8.953,1043 1,1044 10.901,1045 2.65,1046 6.581,1047 7.965,1049 12.567,1050 6.43,1051 10.336,1052 1,1053 12.668,1054 2.327,1055 8.07,1056 9.87,1057 2.853,1058 15.179,1059 7.894,1060 11.742,1061 0.912,1062 14.46,1063 2.275,1064 8.868,1065 10.856,1067 17.28,1068 8.652,1069 13.165,1070 0.787,1071 16.27,1072 2.157,1073 10.135,1074 12.511,1075 3.428,1076 19.729,1077 9.893,1078 3.216,1079 0.39,1080 18.093,1081 2.136,1082 11.109,1083 13.703,1085 21.981,1086 10.827,1087 2.912,1088 11.107,1089 19.925,1090 0.975,1091 12.288,1092 15.24,1093 4.044,1094 24.378,1095 11.977,1096 2.799,1097 9.258,1098 21.766,1099 4.316,1100 13.346,1101 16.543,1103 26.702,1104 12.995,1105 2.562,1106 8.836,1107 23.612,1108 3.898,1109 14.493,1110 18.024,1111 4.682,1112 29.089,1113 14.11,1114 2.392,1115 8.04,1116 25.464,1117 3.757,1118 15.592,1119 19.388,1121 31.449,1122 15.171,1123 1.84,1124 7.621,1125 27.321,1126 3.388,1127 16.73,1128 20.845,1129 5.331,1130 33.836,1131 16.275,1132 1.534,1133 5.082,1134 29.183,1135 3.149,1136 17.851,1137 22.244,1139 36.216,1140 17.358,1141 10098,1142 17533,1143 22.77,1144 31.955,1145 50.891,1146 51.657,1147 51.076,1148 50.439,1149 50.49,1150 68.61,1151 5.806,1152 147.111,1153 49.016,1154 5.403,1155 5.5,1156 6.555,1157 5.235,1158 5.216,1159 7.316,1160 2.783,1161 18.299,1162 5.103,1163 10.353,1164 1.542,1165 1.565,1166 1.548,1167 1.528,1168 1.53,1169 2.079,1170 0.176,1171 4.458,1172 1.485,1173 4.096,1174 4.13,1175 4.066,1176 3.989,1177 7.437,1178 4.003,1179 3.913,1180 3.927,1181 3.867,1182 3.838,1183 5.077,1184 3.84,1185 3.851,1186 3.881,1187 3.8,1188 3.746,1189 4.958,1190 3.754,1191 3.654,1192 3.699,1193 3.602,1194 3.48,1195 4.896,1196 3.506,1197 3.323,1198 3.366,1199 3.253,1200 3.085,1201 4.793,1202 3.121,1203 3.229,1204 3.273,1205 3.12,1206 2.967,1207 4.566,1208 2.999,1209 2.854,1210 2.925,1211 2.737,1212 2.735,1213 4.262,1214 2.716,1215 2.853,1216 2.906,1217 2.705,1218 2.723,1219 3.969,1220 2.715,1221 0.139,1222 0.106,1223 0.205,1224 0.127,1225 0.097,1226 4.579,1227 0.131,1228 3.5,1229 0.042,1230 6.753,1231 0.337,1232 4.181,1233 0.094,1234 3.216,1235 4.316,1236 1.392,1237 11.107,1238 3.103,1239 1.925,1240 1.902,1241 2.017,1242 2.022,1243 1.115,1244 2.02,1245 1.908,1246 1.888,1247 1.986,1248 1.998,1249 1.109,1250 1.996,1251 1.805,1252 1.774,1253 1.913,1254 1.912,1255 0.957,1256 1.914,1257 1.377,1258 1.329,1259 1.492,1260 1.636,1261 0.581,1262 1.597,1263 1.276,1264 1.25,1265 1.441,1266 1.522,1267 0.557,1268 1.489,1269 1.154,1270 1.12,1271 1.373,1272 1.469,1273 0.394,1274 1.445,1275 1.033,1276 0.969,1277 1.212,1278 1.33,1279 0.218,1280 1.299,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.166,1286 1.107,1287 4.205,1289 5.541,1290 3.045,1291 7.071,1292 5.352,1293 8.683,1294 7.424,1295 10.34,1301 5.335,1303 0.212,1306 10.922,1314 31.391,1315 72.271,1316 156.351,1317 194.304,1318 225.524,1319 235.133,1320 235.133,1321 38.504,1322 7.905,1323 103.12,1324 103.12,1325 28,1326 12.757,1327 4.644,1328 3.755,1329 39.355,1330 106,1331 118,1332 0.178,1333 188.872,1334 322.45,1335 452.608,1336 27488,1338 19.794,1339 0.683,1340 0.526,1341 19.794,1342 15.254,1343 14.187,1344 0.43,1345 0.273,1346 8.867,1347 13.641,1348 8.719,1349 7.194,1350 14.187,1351 9.005,1352 12.9,1353 0.274,1354 0.139,1355 12.9,1356 6.534,1357 11.317,1358 0.174,1359 0.073,1360 11.317,1361 4.714,1362 9.587,1363 0.11,1364 0.037,1365 9.587,1366 3.251,1367 7.632,1368 0.069,1369 0.02,1370 7.632,1371 2.173,1372 0.273,1373 89.073,1374 0.21,1375 27.219,1376 0.506,1377 160,1378 492.142,1379 176.432,1380 474.217,1381 659.21,1382 446,1383 192,1384 495.926,1385 208.796,1386 502.129,1387 741.03,1388 473,1389 5}
{0 CHEMBL443962,1 1.733,2 8.389,3 2.733,4 7.47,5 72.677,6 10.863,7 0.8,8 3.478,9 3.574,10 3.379,11 3.089,12 4.66,13 3.078,14 3.945,15 4.081,16 3.79,17 3.454,18 5.081,19 3.431,20 4.051,21 4.194,22 3.97,23 3.517,24 5.206,25 3.466,26 4.017,27 4.196,28 3.594,29 3.436,30 5.057,31 3.328,32 3.999,33 4.252,34 3.269,35 3.241,36 4.908,37 3.097,38 3.697,39 3.945,40 3.149,41 2.955,42 4.653,43 2.88,44 3.389,45 3.521,46 3.293,47 2.872,48 4.528,49 2.778,50 3.321,51 3.491,52 3.171,53 2.734,54 4.373,55 2.554,56 0.055,57 0.412,58 1.709,59 2.209,60 4.061,61 2.45,62 0.181,63 0.645,64 6.164,65 3.754,66 11.523,67 3.79,68 0.223,69 0.692,70 13.717,71 4.459,72 14.435,73 4.71,74 0.143,75 0.661,76 6.793,77 4.631,78 13.169,79 5.364,80 0.183,81 0.641,82 21.549,83 5.396,84 17.036,85 6.519,86 0.15,87 0.481,88 10.115,89 3.445,90 12.466,91 4.173,92 0.177,93 0.328,94 3.405,95 2.379,96 9.231,97 2.4,98 0.107,99 0.288,100 13.194,101 3.089,102 8.329,103 3.258,104 6,105 28,106 0.33,107 0.668,108 0.788,109 0.829,110 0.829,111 0.829,112 2.961,113 0.931,114 -3.92,115 -3.87,116 -3.67,117 1,119 46.4,124 1,142 4,143 2,144 2,145 2,151 1,161 1,166 1,172 5,174 1,175 4,183 6,187 1,188 8,196 4,200 6,213 7,221 1,225 2,233 1,237 2,246 2,249 1,258 2,276 342,277 12.386,278 12.386,279 12.386,280 12.386,281 12.386,282 10.544,283 5.957,284 7.164,285 12.842,286 9.787,287 9.787,288 9.787,289 9.787,290 9.787,291 7.001,292 5.327,293 3.303,294 10.525,295 3.074,296 1.3,297 0.67,298 0.456,299 0.456,300 0.456,301 3.64,305 1,306 1,307 328,308 2,311 38.285,312 93.005,315 66.194,319 1.321,320 9.793,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 38.25,332 151,333 4.553,334 3.238,335 6.508,336 4.03,337 3.094,338 4.507,339 0.86,340 10.173,341 2.921,342 4.167,343 2.915,344 6.111,345 3.748,346 2.781,347 3.794,349 8.925,350 2.639,351 3.738,352 2.681,353 5.301,354 3.326,355 2.384,356 3.18,358 6.78,359 2.235,360 3.246,361 2.176,362 4.952,363 2.717,364 1.831,365 2.549,367 5.423,368 1.56,369 3.019,370 1.581,371 4.31,372 2.481,373 1.536,374 2.266,376 4.025,377 1.447,378 2.707,379 1.4,380 4.108,381 2.174,382 1.256,383 1.799,385 3.451,386 1.102,387 2.5,388 1,389 3.414,390 2,391 1,392 1.5,394 2.275,395 1,396 2.098,397 0.996,398 3.211,399 1.537,400 0.641,401 0.918,403 1.487,404 0.545,405 1.657,406 0.756,407 2.832,408 1.354,409 0.487,410 0.553,412 0.76,413 0.411,414 0.978,415 0.022,416 2.46,417 0.554,418 -0.343,419 -0.43,421 -0.724,422 -0.235,423 0.769,424 -0.247,425 2.174,426 0.209,427 -0.614,428 -0.793,430 -1.395,431 -0.454,432 0.631,433 -0.724,434 2,435 0.126,436 -0.815,437 -1.154,439 -2.253,440 -0.765,441 0.5,442 -1,443 2,445 -1,446 -1.5,448 -3,449 -0.954,450 0.168,451 -1.008,452 1.706,453 -0.403,454 -1.202,455 -1.608,457 -3.222,458 -1,459 -0.26,460 -1.22,461 1.318,462 -0.638,463 -1.554,464 -1.879,466 -4.024,467 -1.384,468 9.367,469 0.52,470 0.397,471 0.022,472 26.25,473 1.458,474 14.5,475 0.806,476 11.75,477 0.653,478 11.542,479 0.641,480 17.633,481 0.63,482 14.836,483 0.824,484 5.134,485 0.285,486 3.641,487 0.202,488 0.196,490 0.31,496 0.756,497 1.168,498 0.455,499 0.779,500 0.754,501 0.783,502 1.286,503 0.977,504 0.571,505 0.619,506 1.086,507 0.665,508 0.912,509 1.149,510 0.969,511 1.126,512 0.822,513 1.032,514 0.877,515 1.167,516 0.575,517 0.945,518 1.019,519 1.155,520 0.722,521 1.002,522 0.871,523 0.986,524 0.891,525 1.032,526 0.944,527 0.775,528 0.396,529 0.541,530 0.818,531 0.635,532 1.18,533 0.812,534 0.977,535 0.858,536 1.24,537 1.034,538 0.854,539 1.254,540 2.09,541 1.697,542 0.963,543 1.524,544 3.5,545 0.037,546 2.444,547 1.104,548 0.671,549 0.542,550 0.292,551 0.156,552 0.104,553 0.076,554 2885,555 9482,556 2.12,557 35.7,559 7,560 1,561 2,567 1.583,568 2,569 3.054,570 -0.709,572 1,574 1,577 48.526,578 1.733,579 3.507,580 4.138,581 4.352,582 4.352,583 4.352,584 2.53,585 3.837,586 4.139,587 3.132,588 479.225,589 7.007,590 4414.66,591 1,592 1,593 1,594 1,595 134.606,596 1.352,597 4.109,598 0.175,599 0.012,600 0.087,601 0.041,602 0.034,603 0.036,604 0.021,605 0.013,606 0.013,607 0.015,608 0.447,609 0.67,610 1,611 0.816,612 76.103,613 0.048,614 -0.119,615 0.003,616 -0.071,617 -0.047,618 -0.037,619 -0.189,620 0.071,621 0.015,622 0.165,623 -0.142,624 0.138,625 0.053,626 -0.144,627 -0.014,628 -0.214,629 0.102,630 -0.162,631 -0.115,632 -0.224,634 -0.113,635 -0.199,636 -0.226,637 -0.012,638 -0.075,639 -0.031,640 -0.014,641 0.003,642 0.054,643 -0.046,644 0.208,645 0.112,646 0.311,647 0.199,648 0.388,649 0.134,650 0.152,651 -0.015,652 0.087,653 -0.115,654 -0.162,655 0.157,656 -0.407,657 -0.21,658 -0.402,659 0.032,660 -0.439,661 0.854,662 1.639,663 0.833,664 11.778,665 1.014,666 1.115,667 2.687,668 7.221,669 0.745,670 3.045,671 3.367,672 3.664,673 3.892,674 4.078,675 4.159,676 4.29,677 4.304,678 4.263,679 4.317,680 4.783,681 0.711,682 304.16,683 3.045,684 4.575,685 5.434,686 6.308,687 7.182,688 8.062,689 8.94,690 9.823,691 10.704,692 11.589,693 10.7,701 1,703 2,708 1,709 7,710 2,714 4,716 16,733 1,734 1,735 28,737 16,738 1,739 20,740 1,741 30,742 13,743 12,744 2,745 4,748 3,749 4,762 12,763 1,780 1,783 10,784 3,786 5,787 1,792 3,797 0.667,798 1,807 1,810 1,815 1,816 2,819 1,843 2,846 1,847 1,851 18,861 1,873 1,874 3.6,879 1,881 9,882 5.493,883 4,884 1.515,886 3.142,887 1.48,888 1.017,889 2.958,890 9.695,891 3.367,892 4.039,893 4.708,894 5.329,895 5.868,896 6.23,897 6.719,898 7.12,899 7.355,900 7.737,901 0.833,902 27,903 6.569,905 2.724,906 7.644,907 12.529,909 10.013,911 2.144,912 38.583,913 0.001,916 117.711,917 92.315,918 80.567,920 11,923 138.269,924 128.711,925 34.612,926 10.883,928 46.952,929 58.706,930 44.928,931 11.771,932 82.398,933 45.954,934 117.711,935 126.928,936 11,938 45.954,939 117.711,940 11,943 20.974,944 72.505,945 33.449,946 45.954,947 117.711,948 45.612,949 138.269,952 117.711,953 16.385,954 77.094,955 45.954,956 44.448,957 117.711,958 45.612,959 138.269,961 0.582,962 0.352,963 0.181,964 0.092,965 15,966 6,967 0.067,968 2,969 1,970 1.133,971 3.098,972 130.677,973 0.133,974 15,975 71.059,981 11.54,982 4.614,983 2.115,984 0.812,985 44.448,986 13.385,987 8.603,991 3.83,994 301.593,995 28,1007 28.396,1008 31.207,1009 0.361,1010 0.73,1011 0.861,1012 0.905,1013 0.905,1014 0.905,1015 4.575,1016 0.641,1017 5.416,1018 2.275,1019 4.043,1020 4.723,1021 0.908,1022 6.225,1023 3.911,1024 5.805,1025 0.487,1026 6.976,1027 1.487,1028 3.611,1029 4.559,1031 7.125,1032 3.378,1033 7.125,1034 -0.343,1035 8.634,1036 0.76,1037 5.638,1038 7.032,1039 0.739,1040 10.193,1041 5.405,1042 8.487,1043 -0.614,1044 10.349,1045 -0.724,1046 6.043,1047 7.73,1049 11.918,1050 5.716,1051 9.88,1052 -0.815,1053 12.1,1054 -1.395,1055 7.52,1056 9.638,1057 0.593,1058 14.487,1059 7.183,1060 11.296,1061 -1,1062 13.876,1063 -2.253,1064 8.302,1065 10.745,1067 16.544,1068 7.88,1069 12.73,1070 -1.202,1071 15.669,1072 -3,1073 9.558,1074 12.414,1075 0.469,1076 18.941,1077 9.111,1078 3.094,1079 -1.554,1080 17.476,1081 -3.222,1082 10.515,1083 13.722,1085 21.137,1086 9.991,1087 2.781,1088 10.173,1089 19.293,1090 -4.024,1091 11.68,1092 15.289,1093 0.366,1094 23.472,1095 11.119,1096 2.384,1097 8.925,1098 21.118,1099 4.507,1100 12.719,1101 16.694,1103 25.727,1104 12.088,1105 1.831,1106 6.78,1107 22.949,1108 3.794,1109 13.848,1110 18.218,1111 0.283,1112 28.041,1113 13.172,1114 1.536,1115 5.423,1116 24.786,1117 3.18,1118 14.925,1119 19.672,1121 30.324,1122 14.185,1123 1.256,1124 4.025,1125 26.627,1126 2.549,1127 16.043,1128 21.179,1129 0.217,1130 32.631,1131 15.251,1132 1,1133 3.451,1134 28.471,1135 2.266,1136 17.14,1137 22.656,1139 34.928,1140 16.286,1141 2817,1142 5221,1143 13.523,1144 20.87,1145 30.169,1146 30.606,1147 31.09,1148 30.174,1149 30.02,1150 42.13,1151 1.72,1152 86.598,1153 27.721,1154 5.205,1155 5.238,1156 6.059,1157 5.099,1158 5.094,1159 7.507,1160 1.72,1161 16.87,1162 4.921,1163 7.37,1164 1.508,1165 1.53,1166 1.555,1167 1.509,1168 1.501,1169 2.107,1170 0.086,1171 4.33,1172 1.386,1173 4.108,1174 4.157,1175 6.881,1176 3.973,1177 5.135,1178 3.986,1179 3.864,1180 3.89,1181 4.033,1182 3.768,1183 4.855,1184 3.772,1185 3.365,1186 3.4,1187 3.787,1188 3.275,1189 4.455,1190 3.258,1191 3.172,1192 3.245,1193 3.233,1194 2.92,1195 4.279,1196 2.919,1197 2.854,1198 2.925,1199 2.971,1200 2.735,1201 3.899,1202 2.715,1203 2.827,1204 2.907,1205 2.691,1206 2.584,1207 3.674,1208 2.604,1209 2.652,1210 2.71,1211 2.687,1212 2.534,1213 3.447,1214 2.512,1215 2.278,1216 2.36,1217 2.461,1218 2.108,1219 3.27,1220 2.098,1221 0.228,1222 0.162,1223 0.325,1224 0.201,1225 0.155,1226 4.553,1227 0.225,1228 3.238,1229 0.043,1230 6.508,1231 0.509,1232 4.03,1233 0.146,1234 3.094,1235 4.507,1236 0.86,1237 10.173,1238 2.921,1239 1.961,1240 1.935,1241 2.041,1242 2.085,1243 1.149,1244 2.068,1245 1.716,1246 1.678,1247 1.791,1248 1.888,1249 0.87,1250 1.868,1251 1.378,1252 1.346,1253 1.561,1254 1.527,1255 0.58,1256 1.527,1257 1.19,1258 1.116,1259 1.416,1260 1.503,1261 0.523,1262 1.517,1263 0.923,1264 0.858,1265 1.181,1266 1.106,1267 0.218,1268 1.108,1269 0.886,1270 0.821,1271 1.047,1272 1.062,1273 0.149,1274 1.107,1275 0.629,1276 0.555,1277 0.902,1278 0.869,1280 0.885,1281 0.436,1282 0.362,1283 0.716,1284 0.661,1286 0.692,1287 3.714,1289 5.03,1290 2.398,1291 6.553,1292 4.727,1293 8.16,1294 6.804,1295 9.81,1296 3.404,1297 1.657,1306 5.139,1314 19.911,1315 48.526,1316 98.2,1317 115.851,1318 121.851,1319 121.851,1320 121.851,1321 17.308,1322 6.553,1323 39.42,1324 39.42,1325 17,1326 12.122,1327 4.087,1328 3.17,1329 25.873,1330 51,1331 56,1332 0.257,1333 129.092,1334 206.27,1335 306.744,1336 5148,1337 3.6,1338 12.535,1339 0.696,1340 0.625,1341 13.535,1342 11.255,1343 8.775,1344 0.439,1345 0.31,1346 5.363,1347 7.867,1348 5.174,1349 4.303,1350 9.353,1351 6.204,1352 7.741,1353 0.276,1354 0.167,1355 8.482,1356 4.686,1357 6.941,1358 0.183,1359 0.087,1360 7.658,1361 3.296,1362 5.592,1363 0.116,1364 0.045,1365 6.197,1366 2.154,1367 4.295,1368 0.074,1369 0.023,1370 4.78,1371 1.359,1372 0.394,1373 63.621,1374 0.272,1375 18.026,1376 0.723,1377 96,1378 297.325,1379 170.661,1380 324.302,1381 439.89,1382 304,1383 114,1384 305.91,1385 160.864,1386 323.108,1387 470.49,1388 302,1389 5.1}
{0 CHEMBL445813,1 1.842,2 10.12,3 1.599,4 2.557,5 95.872,6 9.102,7 0.407,8 3.859,9 3.982,10 3.576,11 3.39,12 5.015,13 3.383,14 4.388,15 4.548,16 3.967,17 3.795,18 5.554,19 3.756,20 4.68,21 4.897,22 4.075,23 3.91,24 5.81,25 3.833,26 4.655,27 4.867,28 4.232,29 3.795,30 6.037,31 3.747,32 4.505,33 4.704,34 3.776,35 3.629,36 5.817,37 3.6,38 4.35,39 4.516,40 3.873,41 3.634,42 5.752,43 3.61,44 4.413,45 4.599,46 3.951,47 3.659,48 5.635,49 3.611,50 4.405,51 4.639,52 3.707,53 3.471,54 5.673,55 3.399,56 0.148,57 0.646,58 6.342,59 3.323,60 12.313,61 4.067,62 0.331,63 0.991,64 13.408,65 5.864,66 29.161,67 7.513,68 0.599,69 1.112,70 27.014,71 8.588,72 63.36,73 11.089,74 0.864,75 0.999,76 33.747,77 8.087,78 86.415,79 10.181,80 0.729,81 0.875,82 25.159,83 6.457,84 92.216,85 7.553,86 0.557,87 0.856,88 15.19,89 5.304,90 80.521,91 6.381,92 0.525,93 0.886,94 19.94,95 5.395,96 46.277,97 6.851,98 0.651,99 0.797,100 23.465,101 5.815,102 65.239,103 7.623,104 17,105 37,106 0.324,107 0.692,108 0.811,109 0.831,110 0.831,111 0.831,112 3.267,113 0.958,114 -2.99,115 -2.99,116 -2.89,119 38.1,121 2,125 2,127 1,142 3,143 1,144 3,146 1,151 1,158 2,168 1,172 2,175 1,178 2,180 5,183 8,187 1,191 2,192 1,196 3,200 6,203 2,204 3,205 4,208 3,212 1,213 4,216 1,218 2,224 1,225 1,228 2,230 5,238 4,241 1,243 4,250 7,254 2,255 5,258 2,264 1,269 1,276 922,277 16.759,278 16.759,279 16.759,280 16.759,281 16.759,282 15.097,283 24.567,284 9.973,285 17.176,286 13.306,287 13.306,288 13.306,289 13.306,290 13.306,291 10.783,292 37.709,293 4.7,294 14.045,295 3.55,296 1.459,297 0.78,298 0.667,299 0.667,300 0.667,301 3.944,302 2,304 1,305 1,306 1,307 536,308 3.317,311 74.159,312 170.857,319 1.645,320 34.169,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 55.167,332 253,333 4.466,334 3.695,335 6.686,336 4.079,337 3.119,338 4.113,339 1.058,340 10.64,341 2.991,342 4.335,343 3.587,344 6.457,345 3.945,346 2.978,347 3.961,348 1.058,349 9.962,350 2.853,351 3.629,352 3.041,353 5.445,354 3.486,355 2.521,356 2.791,357 0.4,358 7.218,359 2.428,360 3.415,361 2.664,362 5.079,363 3.074,364 2.097,365 2.602,367 5.885,368 2.012,369 3.232,370 2.623,371 4.841,372 2.815,373 1.879,374 2.481,376 5.104,377 1.785,378 3.205,379 2.52,380 4.72,381 2.707,382 1.821,383 2.298,385 4.787,386 1.441,387 2.715,388 1.779,389 3.883,390 2.351,391 1.418,392 1.79,394 3.177,395 1.319,396 2.521,397 1.388,398 3.668,399 2.233,400 1.263,401 1.487,403 2.88,404 1.214,405 2.46,406 1.357,407 3.517,408 2.012,409 1.035,410 1.458,412 2.412,413 0.987,414 2.236,415 1.077,416 3.36,417 1.984,418 1,419 1.062,421 2.136,422 0.983,423 2,424 1.038,425 3.247,426 1.716,427 0.756,428 1,430 1.911,431 0.719,432 1.179,433 0.888,434 2.761,435 0.804,436 -0.053,437 -0.06,439 -0.137,440 -0.036,441 1.03,442 0.473,443 2.558,444 0.745,445 -0.214,446 -0.241,448 -0.51,449 -0.203,450 1,451 0.275,452 2.352,453 0.557,454 -0.347,455 -0.445,457 -0.757,458 -0.229,459 1,460 0.173,461 2.154,462 0.473,463 -0.453,464 -0.622,466 -1.076,467 -0.429,468 12.095,469 0.484,470 0.613,471 0.025,472 30,473 1.2,474 13.5,475 0.54,476 16.5,477 0.66,478 21.321,479 0.853,480 27.505,481 0.655,482 22.362,483 0.894,484 5.934,485 0.237,486 6.124,487 0.245,488 0.173,490 0.331,496 0.716,497 1.267,498 0.557,499 0.844,500 0.539,501 0.817,502 0.685,503 1.336,504 0.649,505 0.96,506 0.542,507 0.974,508 0.878,509 0.966,510 0.823,511 0.885,512 0.826,513 0.905,514 0.814,515 0.893,516 0.764,517 0.957,518 0.936,519 0.863,520 1.621,521 0.849,522 1.015,523 0.778,524 1.968,525 0.814,526 1.142,527 1.165,528 0.731,529 0.77,530 1.282,531 0.852,532 1.019,533 1.256,534 1.043,535 1.123,536 0.877,537 1.099,538 0.848,539 0.941,540 0.894,541 1.074,542 0.8,543 1.046,544 4.5,545 0.087,546 2.889,547 2.25,548 1.169,549 0.802,550 0.409,551 0.401,552 0.155,553 0.166,554 6986,555 23382,556 2.038,557 40.5,559 8,560 1,562 4,565 4,567 1.681,568 1.899,569 3.288,570 1.855,571 1,572 1,577 77.381,578 1.842,579 3.933,580 4.612,581 4.726,582 4.726,583 4.726,584 2.699,585 4.084,586 4.618,587 3.468,588 1040.39,589 7.99,590 12671.9,591 1,592 1,594 1,595 226.477,596 1.44,597 4.569,598 0.167,599 0.006,600 0.078,601 0.061,602 0.032,603 0.027,604 0.013,605 0.013,606 0.007,607 0.011,608 0.415,609 0.17,610 1,611 0.609,612 120.624,613 -0.082,614 0.014,615 -0.005,616 0.053,617 -0.028,618 0.051,619 0.017,620 -0.171,621 0.012,622 -0.046,623 0.061,624 -0.062,625 0.003,626 0.02,627 0.074,628 0.075,629 0.016,630 0.079,631 0.308,632 0.044,633 0.281,634 0.013,635 0.246,636 0.107,637 -0.297,638 0.094,639 -0.123,640 0.147,641 -0.29,642 0.101,643 -0.041,644 -0.087,645 0.005,646 0.127,647 0.033,648 0.027,649 -0.063,650 -0.164,651 -0.073,652 -0.204,653 -0.091,654 -0.203,655 0.149,656 0.021,657 0.04,658 -0.154,659 0.15,660 -0.09,661 2.173,662 5.457,663 0.68,664 20.576,665 1.024,666 1.136,667 1.762,668 3.104,669 0.69,670 3.332,671 3.638,672 3.892,673 4.127,674 4.159,675 4.159,676 4.19,677 4.277,678 4.248,679 4.263,680 6.073,681 0.664,682 382.28,683 3.332,684 4.86,685 5.7,686 6.569,687 7.421,688 8.295,689 9.152,690 10.028,691 10.887,692 11.765,693 11.9,695 1,700 2,701 1,703 1,709 4,710 1,711 1,714 5,716 11,723 2,734 2,735 42,737 13,738 1,739 27,741 44,742 16,743 9,744 3,745 3,746 2,748 3,749 3,750 2,757 3,760 3,762 11,763 5,767 2,772 2,776 2,779 1,780 1,783 17,784 6,785 4,786 9,787 2,792 5,797 1,798 2,807 1,815 1,816 2,838 1,843 3,848 2,851 25,858 4,860 3,863 1,873 2,874 4.8,877 2,881 13.167,882 7.236,883 5.556,884 2.477,886 2.165,887 1.313,888 0.979,889 5.961,890 9.078,891 3.57,892 4.107,893 4.626,894 5.137,895 5.354,896 5.5,897 5.63,898 5.878,899 6.074,900 6.288,901 0.857,902 37,903 9.268,905 4.014,906 7.989,907 17.232,909 14.05,911 2.489,912 62.222,916 153.024,917 71.866,918 87.358,919 78.297,920 50.29,923 71.866,924 281.611,925 87.358,927 45.302,928 55.487,929 76.362,930 32.363,931 11.771,932 141.253,933 78.297,934 153.024,935 159.224,936 50.29,937 78.297,939 105.94,940 97.374,943 82.732,944 59.829,945 94.96,947 153.024,948 137.648,949 150.164,952 153.024,953 34.39,954 37.476,955 70.695,956 145.25,957 153.024,958 137.648,959 150.164,961 0.579,962 0.343,963 0.189,964 0.084,965 17,966 8,967 0.091,968 4,970 1,971 3.678,972 201.18,974 17,975 106.096,981 18.201,982 8.188,983 4.331,985 120.985,986 6.238,987 3.94,988 2.599,991 1.002,993 70.695,994 440.836,995 34.5,1000 24.886,1004 -0.846,1007 42.996,1008 47.705,1009 0.342,1010 0.729,1011 0.855,1012 0.876,1013 0.876,1014 0.876,1015 4.802,1016 1.263,1017 5.68,1018 3.177,1019 4.317,1020 4.792,1021 1.758,1022 6.482,1023 4.213,1024 5.987,1025 1.035,1026 7.236,1027 2.88,1028 3.892,1029 4.59,1031 7.394,1032 3.713,1033 7.283,1034 1,1035 8.898,1036 2.412,1037 5.894,1038 6.91,1039 1.803,1040 10.508,1041 5.713,1042 8.617,1043 0.756,1044 10.623,1045 2.136,1046 6.312,1047 7.578,1049 12.283,1050 6.069,1051 9.987,1052 -0.053,1053 12.39,1054 1.911,1055 7.777,1056 9.365,1057 1.891,1058 14.902,1059 7.522,1060 11.382,1061 -0.214,1062 14.187,1063 -0.137,1064 8.579,1065 10.427,1067 17.016,1068 8.268,1069 12.798,1070 -0.347,1071 16.004,1072 -0.51,1073 9.833,1074 12.002,1075 1.987,1076 19.464,1077 9.498,1078 3.119,1079 -0.453,1080 17.838,1081 -0.757,1082 10.81,1083 13.244,1085 21.714,1086 10.424,1087 2.978,1088 10.64,1089 19.683,1090 -1.076,1091 11.979,1092 14.727,1093 2.086,1094 24.099,1095 11.561,1096 2.521,1097 9.962,1098 21.538,1099 4.113,1100 13.034,1101 16.051,1103 26.404,1104 12.568,1105 2.097,1106 7.218,1107 23.399,1108 3.961,1109 14.171,1110 17.492,1111 2.186,1112 28.765,1113 13.668,1114 1.879,1115 5.885,1116 25.267,1117 2.791,1118 15.262,1119 18.855,1121 31.094,1122 14.713,1123 1.821,1124 5.104,1125 27.138,1126 2.602,1127 16.387,1128 20.277,1129 2.287,1130 33.446,1131 15.798,1132 1.418,1133 4.787,1134 29.013,1135 2.481,1136 17.494,1137 21.659,1139 35.786,1140 16.861,1141 6813,1142 12663,1143 17.8,1144 28.983,1145 40.318,1146 42.324,1147 41.551,1148 40.107,1149 39.777,1150 50.085,1151 5.033,1152 112.224,1153 37.465,1154 5.466,1155 5.695,1156 6.488,1157 5.122,1158 5.119,1159 7.113,1160 2.117,1161 17.556,1162 4.991,1163 12.29,1164 1.493,1165 1.568,1166 1.539,1167 1.485,1168 1.473,1169 1.855,1170 0.186,1171 4.156,1172 1.388,1173 3.994,1174 4.039,1175 4.115,1176 3.894,1177 7.432,1178 3.894,1179 3.886,1180 3.915,1181 3.905,1182 3.745,1183 7.426,1184 3.766,1185 3.811,1186 3.878,1187 3.692,1188 3.639,1189 5.006,1190 3.645,1191 3.321,1192 3.378,1193 3.582,1194 3.06,1195 4.965,1196 3.1,1197 3.255,1198 3.309,1199 3.268,1200 2.963,1201 4.632,1202 3.005,1203 3.111,1204 3.206,1205 3.18,1206 2.941,1207 4.404,1208 2.91,1209 2.909,1210 2.981,1211 3.058,1212 2.849,1213 4.115,1214 2.815,1215 2.901,1216 2.918,1217 2.866,1218 2.633,1219 3.913,1220 2.652,1221 0.165,1222 0.137,1223 0.248,1224 0.151,1225 0.116,1226 4.466,1227 0.152,1228 3.695,1229 0.039,1230 6.686,1231 0.394,1232 4.079,1233 0.111,1234 3.119,1235 4.113,1236 1.058,1237 10.64,1238 2.991,1239 1.892,1240 1.881,1241 2.033,1242 2.021,1243 1.377,1244 2.029,1245 1.821,1246 1.758,1247 1.938,1248 1.964,1249 1.072,1250 1.968,1251 1.56,1252 1.529,1253 1.652,1254 1.741,1255 0.825,1256 1.718,1257 1.337,1258 1.258,1259 1.513,1260 1.7,1261 0.744,1262 1.643,1263 1.153,1264 1.083,1265 1.482,1266 1.451,1267 0.567,1268 1.429,1269 1.127,1270 1.064,1271 1.327,1272 1.376,1273 0.288,1274 1.414,1275 0.999,1276 0.91,1277 1.193,1278 1.254,1279 0.234,1280 1.242,1281 0.849,1282 0.827,1283 1,1284 0.975,1285 0.105,1286 1.004,1287 4.007,1289 5.313,1290 2.398,1291 6.81,1292 4.595,1293 8.395,1294 6.581,1295 10.025,1298 12.084,1303 3.431,1305 8.798,1308 0.09,1314 27.879,1315 77.381,1316 165.193,1317 193.722,1318 198.477,1319 198.477,1320 198.477,1321 57.213,1322 6.914,1323 98.91,1324 98.91,1325 17,1326 12.307,1327 3.807,1328 3.087,1329 41.721,1330 90,1331 90,1332 0.224,1333 180.206,1334 311,1335 431.462,1336 9248,1337 4.8,1338 17.811,1339 0.712,1340 0.59,1341 18.811,1342 14.747,1343 12.059,1344 0.447,1345 0.319,1346 7.809,1347 11.001,1348 7.647,1349 6.287,1350 12.636,1351 8.623,1352 10.748,1353 0.29,1354 0.176,1355 11.489,1356 6.51,1357 8.843,1358 0.184,1359 0.096,1360 9.517,1361 4.598,1362 7.695,1363 0.126,1364 0.053,1365 8.604,1366 3.247,1367 4.968,1368 0.079,1369 0.029,1370 5.26,1371 1.808,1372 0.35,1373 82.127,1374 0.237,1375 24.271,1376 0.62,1377 128,1378 424.854,1379 172.071,1380 467.59,1381 605.63,1382 432,1383 149,1384 389.52,1385 185.788,1386 410.061,1387 600.25,1388 386,1389 5}
{0 CHEMBL450786,1 1.709,2 15.419,3 5.69,4 32.372,5 171.59,6 8.333,7 0.354,8 4.444,9 4.548,10 4.198,11 4.062,12 5.463,13 4.009,14 5.04,15 5.2,16 4.583,17 4.506,18 6.166,19 4.438,20 5.321,21 5.513,22 4.683,23 4.666,24 6.394,25 4.564,26 5.408,27 5.607,28 4.83,29 4.684,30 6.545,31 4.57,32 5.401,33 5.596,34 4.765,35 4.644,36 6.664,37 4.572,38 5.397,39 5.589,40 4.677,41 4.71,42 6.491,43 4.618,44 5.514,45 5.744,46 4.543,47 4.69,48 6.624,49 4.552,50 5.394,51 5.657,52 4.505,53 4.555,54 6.445,55 4.424,56 0.103,57 1.119,58 16.315,59 7.664,60 19.103,61 9.196,62 0.432,63 1.915,64 33.013,65 13.56,66 60.785,67 16.999,68 0.543,69 2.361,70 50.142,71 18.564,72 72.916,73 22.885,74 0.8,75 2.44,76 71.194,77 21.227,78 111.978,79 25.272,80 1.257,81 2.442,82 60.205,83 19.039,84 174.294,85 22.646,86 0.613,87 2.549,88 50.627,89 19.7,90 91.259,91 24.792,92 1.002,93 2.683,94 63.53,95 22.144,96 174.246,97 28.851,98 1.048,99 2.376,100 61.829,101 20.224,102 139.649,103 26.655,104 65,105 72,106 0.26,107 0.587,108 0.76,109 0.844,110 0.855,111 0.855,112 3.788,113 1.062,114 -5.08,115 -4.97,116 -4.66,119 41.6,120 2,121 4,125 5,127 1,135 1,136 1,142 6,143 4,144 4,152 2,158 2,172 10,174 2,175 7,178 1,180 7,183 14,187 1,188 11,193 5,196 11,200 13,203 2,205 1,208 14,212 1,213 17,216 1,217 1,218 2,221 11,225 9,228 2,230 5,233 19,237 2,238 7,241 1,243 3,246 19,249 2,250 6,253 4,258 13,264 7,269 7,272 13,276 3944,277 28.471,278 28.471,279 28.471,280 28.471,281 28.471,282 25.597,283 34.756,284 16.142,285 29.237,286 23.629,287 23.629,288 23.629,289 23.629,290 23.629,291 19.074,292 41.308,293 7.618,294 24.995,295 4.558,296 2.406,297 1.27,298 0.715,299 0.643,300 0.643,301 4.49,302 2,306 1,307 1458,308 4.416,311 471.68,312 277.559,315 190.395,319 2.428,320 63.153,323 0.75,324 0.67,325 0.83,326 0.7,327 0.5,328 0.83,329 1,330 0.75,331 92.667,332 663,333 4.876,334 5.264,335 7.324,336 4.322,337 3.428,338 4.726,339 3.272,340 12.597,341 3.246,342 4.628,343 3.784,344 6.944,345 4.262,346 3.289,347 4.334,348 1.2,349 11.598,350 3.15,351 4.473,352 3.655,353 6.722,354 4.114,355 3.143,356 4.056,357 1.058,358 10.934,359 2.888,360 4.283,361 3.404,362 6.371,363 3.849,364 2.902,365 3.942,366 0.8,367 9.6,368 2.753,369 4.024,370 3.118,371 6.347,372 3.802,373 2.881,374 3.237,375 0.293,376 9.523,377 2.591,378 3.682,379 2.898,380 5.655,381 3.436,382 2.498,383 3.014,385 7.442,386 2.347,387 3.545,388 2.862,389 5.449,390 3.226,391 2.237,392 2.648,394 6.92,395 2.197,396 3.348,397 2.623,398 5.326,399 3.058,400 2.054,401 2.481,403 6.371,404 2.049,405 3.232,406 2.592,407 4.891,408 2.773,409 1.879,410 2.465,412 5.282,413 1.752,414 3.106,415 2.569,416 4.874,417 2.707,418 1.79,419 2.283,421 5.104,422 1.66,423 3.08,424 2.202,425 4.841,426 2.687,427 1.716,428 2.199,430 5.043,431 1.525,432 3.007,433 1.951,434 4.711,435 2.546,436 1.556,437 2.125,439 4.558,440 1.441,441 2.869,442 1.559,443 4.53,444 2.381,445 1.408,446 2.023,448 4.077,449 1.377,450 2.696,451 1.497,452 3.977,453 2.377,454 1.381,455 1.708,457 3.347,458 1.363,459 2.382,460 1.484,461 3.823,462 2.255,463 1.264,464 1.329,466 2.872,467 1.249,468 21.195,469 0.493,470 1.4,471 0.033,472 52,473 1.209,474 24,475 0.558,476 28,477 0.651,478 49.793,479 1.158,480 46.605,481 0.605,482 46.707,483 1.086,484 9.535,485 0.222,486 10.995,487 0.256,488 0.177,489 0.039,490 0.368,496 0.56,497 1.296,498 0.667,499 1.043,500 0.552,501 0.91,502 0.642,503 1.122,504 0.724,505 0.908,506 0.494,507 0.873,508 0.982,509 1.043,510 0.913,511 0.977,512 0.862,513 0.984,514 1.085,515 1.082,516 0.911,517 1.016,518 1.133,519 0.994,520 1.237,521 0.86,522 0.859,523 0.853,524 1.374,525 0.831,526 0.871,527 1.14,528 0.765,529 1.027,530 0.903,531 1.033,532 0.935,533 1.033,534 0.855,535 0.963,536 0.942,537 1.076,538 0.754,539 0.708,540 0.664,541 0.654,542 0.788,543 0.705,544 10,545 0.311,546 6.444,547 4.778,548 2.982,549 2.146,550 1.342,551 0.884,552 0.79,553 0.592,554 33014,555 90226,556 2.078,557 44.2,558 3,559 18,562 2,563 3,564 8,567 1.818,568 1.904,569 3.861,570 0.137,577 131.569,578 1.709,579 3.861,580 4.997,581 5.552,582 5.624,583 5.624,584 3.327,585 5.101,586 5.397,587 4.079,588 3683.76,589 9.554,590 66496.7,595 482.543,596 1.634,597 5.334,598 0.208,599 0.006,600 0.09,601 0.065,602 0.041,603 0.028,604 0.017,605 0.014,606 0.013,607 0.01,608 0.492,609 0.17,610 0.75,611 0.578,612 247.671,613 0.024,614 -0.094,615 0.094,616 -0.011,617 -0.063,618 0.036,619 0.1,620 0.012,621 0.057,622 0.059,623 0.153,624 0.072,625 -0.09,626 0.01,627 -0.016,628 0.001,629 -0.008,630 -0.019,631 -0.014,632 -0.083,633 0.119,634 -0.006,635 -0.03,636 -0.015,637 0.031,638 0.16,639 0.063,640 0.106,641 0.028,642 0.106,643 -0.013,644 -0.101,645 -0.022,646 -0.091,647 0.006,648 -0.074,650 -0.076,651 -0.043,652 -0.061,653 0.038,654 -0.099,655 0.138,656 0.245,657 0.201,658 0.284,659 0.092,660 0.297,661 4.753,662 6.841,663 0.698,664 55.549,665 1.008,666 1.121,667 3.847,668 14.797,669 0.693,670 3.892,671 4.29,672 4.605,673 4.898,674 5.063,675 5.193,676 5.361,677 5.537,678 5.649,679 5.762,680 8.971,681 0.652,682 641.67,683 3.892,684 5.485,685 6.368,686 7.283,687 8.182,688 9.098,689 10.003,690 10.92,691 11.83,692 12.748,693 5.2,696 1,700 2,701 1,709 6,711 1,714 10,716 17,724 1,734 2,735 77,737 22,738 2,739 48,741 82,742 32,743 16,744 6,745 6,746 4,748 6,749 7,750 2,754 2,757 5,760 5,762 20,763 12,767 5,770 1,772 4,774 1,776 3,783 34,784 7,785 2,786 11,787 3,792 4,797 0.833,798 4,811 1,812 2,815 4,816 2,819 1,829 1,834 1,835 1,839 1,843 5,845 1,847 2,848 2,851 43,854 1,858 9,860 1,863 1,864 2,873 2,874 5.2,877 4,881 22.583,882 14.436,883 9.097,884 4.873,886 3.851,887 1.419,888 1.015,889 8.528,890 13.046,891 4.135,892 4.773,893 5.325,894 5.879,895 6.343,896 6.678,897 7.08,898 7.5,899 7.849,900 8.212,901 1,902 73,903 16.413,905 7.661,906 7.84,907 30.87,909 26.987,911 2.34,912 100.639,916 376.675,917 151.65,918 41.045,919 78.297,920 94.603,922 6.046,923 145.604,924 549.575,925 41.045,926 17.65,927 40.596,928 72.38,929 104.012,930 47.146,931 5.513,932 376.675,933 78.297,934 376.675,935 186.649,936 94.603,937 84.343,939 282.506,940 188.772,943 78.156,944 99.017,945 93.819,947 376.675,948 135.648,949 229.947,951 6.046,952 376.675,953 61.62,954 90.233,955 34.796,956 172.9,957 376.675,958 135.648,959 229.947,961 0.603,962 0.364,963 0.196,964 0.097,965 37,966 18,967 0.085,968 7,969 1,970 1.067,971 5.025,972 466.603,973 0.067,974 30,975 221.329,980 1,981 30.417,982 12.056,983 5.927,985 118.862,986 9.418,988 3.312,991 4.698,993 34.796,994 742.27,995 61.5,998 -3.836,1000 53.709,1002 1.702,1004 -0.011,1007 77.578,1008 86.282,1009 0.273,1010 0.616,1011 0.797,1012 0.886,1013 0.897,1014 0.897,1015 5.435,1016 2.054,1017 6.409,1018 6.92,1019 4.977,1020 5.462,1021 3.35,1022 7.307,1023 4.87,1024 6.68,1025 1.879,1026 8.032,1027 6.371,1028 4.796,1029 5.568,1030 0.57,1031 8.473,1032 4.581,1033 8.039,1034 1.79,1035 9.761,1036 5.282,1037 6.691,1038 7.74,1039 5.467,1040 11.572,1041 6.469,1042 9.438,1043 1.716,1044 11.552,1045 5.104,1046 7.321,1047 8.664,1048 0.801,1049 13.549,1050 6.995,1051 10.871,1052 1.556,1053 13.383,1054 5.043,1055 8.734,1056 10.387,1057 7.81,1058 16.215,1059 8.39,1060 12.33,1061 1.408,1062 15.242,1063 4.558,1064 9.696,1065 11.647,1066 1.074,1067 18.501,1068 9.265,1069 13.807,1070 1.381,1071 17.12,1072 4.077,1073 10.952,1074 13.227,1075 10.178,1076 21.037,1077 10.487,1078 3.428,1079 1.264,1080 19.014,1081 3.347,1082 12.049,1083 14.628,1084 1.404,1085 23.443,1086 11.514,1087 3.289,1088 12.597,1089 20.921,1090 2.872,1091 13.255,1092 16.16,1093 12.548,1094 25.943,1095 12.678,1096 3.143,1097 11.598,1098 22.837,1099 4.726,1100 14.406,1101 17.623,1102 1.768,1103 28.401,1104 13.77,1105 2.902,1106 10.934,1107 24.761,1108 4.334,1109 15.6,1110 19.142,1111 14.919,1112 30.894,1113 14.917,1114 2.881,1115 9.6,1116 26.691,1117 4.056,1118 16.776,1119 20.635,1120 2.15,1121 33.376,1122 16.04,1123 2.498,1124 9.523,1125 28.627,1126 3.942,1127 17.969,1128 22.153,1129 17.29,1130 35.872,1131 17.185,1132 2.237,1133 7.442,1134 30.568,1135 3.237,1136 19.158,1137 23.662,1138 2.538,1139 38.367,1140 18.323,1141 30629,1142 51227,1143 31.441,1144 53.387,1145 74.329,1146 78.513,1147 76.857,1148 74.255,1149 73.906,1150 93.194,1151 13.247,1152 227.757,1153 69.848,1154 5.876,1155 7.264,1156 6.94,1157 5.444,1158 5.428,1159 7.726,1160 6.545,1161 20.199,1162 5.246,1163 25.287,1164 1.549,1165 1.636,1166 1.601,1167 1.547,1168 1.54,1169 1.942,1170 0.276,1171 4.745,1172 1.455,1173 4.157,1174 4.16,1175 4.747,1176 4.15,1177 7.714,1178 4.081,1179 4.033,1180 4.047,1181 4.07,1182 3.944,1183 7.431,1184 3.936,1185 3.925,1186 3.971,1187 4.038,1188 3.853,1189 7.426,1190 3.849,1191 3.877,1192 3.913,1193 3.864,1194 3.742,1195 6.999,1196 3.741,1197 3.758,1198 3.818,1199 3.778,1200 3.671,1201 5.005,1202 3.62,1203 3.72,1204 3.704,1205 3.613,1206 3.59,1207 4.824,1208 3.579,1209 3.343,1210 3.364,1211 3.582,1212 3.242,1213 4.68,1214 3.23,1215 3.199,1216 3.291,1217 3.309,1218 3.019,1219 4.632,1220 2.996,1221 0.102,1222 0.11,1223 0.153,1224 0.09,1225 0.071,1226 4.876,1227 0.098,1228 5.264,1229 0.068,1230 7.324,1231 0.262,1232 4.322,1233 0.068,1234 3.428,1235 4.726,1236 3.272,1237 12.597,1238 3.246,1239 2.008,1240 2.025,1241 1.989,1242 2.044,1243 1.32,1244 2.09,1245 1.868,1246 1.853,1247 1.937,1248 1.926,1249 1.29,1250 1.94,1251 1.745,1252 1.72,1253 1.91,1254 1.918,1255 1.211,1256 1.912,1257 1.681,1258 1.642,1259 1.86,1260 1.84,1261 1.125,1262 1.834,1263 1.642,1264 1.588,1265 1.854,1266 1.82,1267 1.102,1268 1.832,1269 1.577,1270 1.507,1271 1.795,1272 1.751,1273 1.002,1274 1.793,1275 1.503,1276 1.495,1277 1.762,1278 1.704,1279 0.908,1280 1.732,1281 1.485,1282 1.428,1283 1.581,1284 1.619,1285 0.87,1286 1.651,1287 4.575,1289 5.953,1290 3.714,1291 7.506,1292 6.075,1293 9.14,1294 8.148,1295 10.819,1297 3.762,1298 12.486,1303 7.905,1305 2.825,1308 0.203,1309 4.467,1314 50.216,1315 131.569,1316 297.285,1317 384.768,1318 427.523,1319 433.033,1320 433.033,1321 112.729,1322 9.195,1323 106.34,1324 114.72,1325 32,1326 13.259,1327 4.524,1328 3.858,1329 63.889,1330 232,1331 227,1332 0.132,1333 312.122,1334 554.35,1335 753.339,1336 164385,1337 2.6,1338 30.466,1339 0.709,1340 0.616,1341 31.716,1342 26.503,1343 20.53,1344 0.428,1345 0.354,1346 14.647,1347 18.601,1348 14.048,1349 11.535,1350 21.928,1351 16.997,1352 19.798,1353 0.275,1354 0.201,1355 21.84,1356 14.449,1357 17.02,1358 0.172,1359 0.113,1360 18.801,1361 11.163,1362 14.553,1363 0.109,1364 0.065,1365 16.363,1366 8.651,1367 10.719,1368 0.068,1369 0.036,1370 12.558,1371 5.727,1372 0.21,1373 141.861,1374 0.178,1375 38.019,1376 0.356,1377 240,1378 676.165,1379 324.704,1380 735.054,1381 978.49,1382 678,1383 291,1384 646.854,1385 376.432,1386 709.299,1387 1047.31,1388 666,1389 5.721}
{0 CHEMBL451964,1 1.758,2 9.348,3 3.664,4 13.427,5 81.975,6 9.123,7 0.615,8 3.729,9 3.847,10 3.455,11 3.24,12 4.942,13 3.277,14 4.253,15 4.407,16 3.884,17 3.562,18 5.994,19 3.595,20 4.371,21 4.585,22 3.808,23 3.592,24 5.666,25 3.613,26 4.38,27 4.593,28 3.748,29 3.507,30 5.761,31 3.553,32 4.259,33 4.481,34 3.536,35 3.412,36 5.526,37 3.424,38 4.077,39 4.285,40 3.388,41 3.364,42 5.172,43 3.335,44 4.075,45 4.286,46 3.484,47 3.258,48 5.474,49 3.248,50 4.026,51 4.254,52 3.377,53 3.079,54 5.622,55 3.091,56 0.197,57 0.814,58 4.478,59 3.008,60 26.705,61 3.119,62 0.826,63 1.511,64 10.283,65 4.91,66 133.551,67 5.353,68 0.531,69 1.253,70 14.537,71 5.274,72 42.152,73 6.571,74 0.715,75 1.28,76 15.477,77 4.947,78 75.197,79 5.256,80 0.657,81 1.03,82 13.777,83 4.292,84 76.238,85 4.568,86 0.356,87 0.871,88 10.021,89 4.048,90 34.638,91 5.024,92 0.543,93 0.901,94 10.557,95 3.778,96 41.82,97 5.089,98 0.606,99 0.932,100 11.14,101 3.526,102 62.439,103 4.347,104 11,105 39,106 0.318,107 0.663,108 0.751,109 0.811,110 0.811,111 0.811,112 3.189,113 0.828,114 -6.33,115 -6.17,116 -5.73,119 42.9,121 2,127 1,132 1,142 6,143 2,147 1,161 2,166 2,172 8,174 2,175 5,178 1,180 3,183 6,187 2,188 10,191 1,193 1,196 3,200 11,208 3,213 8,216 2,218 1,221 5,225 2,230 2,233 4,238 4,243 2,246 5,255 1,258 5,272 4,276 721,277 15.298,278 15.298,279 15.298,280 15.298,281 15.298,282 13.546,283 13.942,284 8.67,285 15.777,286 12.85,287 12.85,288 12.85,289 12.85,290 12.85,291 10.157,292 21.654,293 4.13,294 13.733,295 3.371,296 1.468,297 0.979,298 0.65,299 0.65,300 0.65,301 3.872,304 1,305 1,306 1,307 474,308 3.24,309 40.055,311 49.869,312 127.882,315 91.324,319 1.611,320 36.304,322 1,323 0.75,324 0.83,325 0.83,326 0.5,327 0.5,328 0.83,329 1,330 0.75,331 53,332 215,333 4.616,334 4.46,335 7.111,336 4.189,337 3.318,338 4.556,339 3.825,340 11.661,341 3.019,342 4.427,343 3.182,344 6.718,345 4.092,346 3.163,347 3.833,348 0.4,349 10.94,350 2.84,351 3.938,352 2.872,353 5.786,354 3.698,355 2.735,356 3.346,358 8.053,359 2.632,360 3.747,361 2.525,362 5.606,363 3.449,364 2.479,365 3.048,367 7.587,368 2.388,369 3.418,370 2.21,371 5.075,372 3.068,373 2.118,374 2.538,376 6.164,377 2.002,378 3.186,379 1.985,380 4.754,381 2.71,382 1.78,383 2.449,385 5.126,386 1.627,387 2.843,388 1.478,389 4.482,390 2.366,391 1.407,392 1.973,394 4.166,395 1.329,396 2.593,397 1.158,398 3.967,399 2.08,400 1.123,401 1.635,403 3.004,404 1.069,405 2.5,406 1,407 3.414,408 2,409 1,410 1.5,412 2.275,413 1,414 2.081,415 0.709,416 3.274,417 1.605,418 0.644,419 0.903,421 1.606,422 0.617,423 1.417,424 0.51,425 3.059,426 1.208,427 0.261,428 0.293,430 0.678,431 0.246,432 0.963,433 0.51,434 2.803,435 0.601,436 -0.373,437 -0.47,439 -0.922,440 -0.362,441 0.731,442 0.399,443 2.345,444 0.336,445 -0.63,446 -0.787,448 -1.612,449 -0.605,450 0.586,451 -0.208,452 2.294,453 0.071,454 -0.889,455 -1,457 -2.699,458 -0.7,459 0.5,460 -0.488,461 2,463 -1,464 -1,466 -3,467 -0.7,468 10.357,469 0.45,470 0.754,471 0.033,472 30,473 1.304,474 14.5,475 0.63,476 15.5,477 0.674,478 15.907,479 0.692,480 25.043,481 0.716,482 21.947,483 0.954,484 5.893,485 0.256,486 5.112,487 0.222,488 0.083,489 0.048,490 0.328,493 3,496 0.544,497 0.932,498 0.565,499 0.987,500 0.559,501 0.857,502 0.401,503 0.866,504 0.665,505 1.116,506 0.328,507 1.064,508 0.643,509 0.886,510 0.699,511 0.907,512 0.487,513 0.844,514 1.235,515 1.149,516 1.084,517 0.927,518 1.078,519 0.901,520 1.148,521 0.856,522 1.238,523 0.782,524 1.021,525 0.931,526 0.569,527 0.776,528 0.926,529 1.008,530 0.425,531 1.085,532 0.427,533 0.666,534 0.806,535 1.041,536 0.575,537 1.113,538 0.792,539 0.752,540 0.975,541 0.952,542 0.876,543 1.033,544 6,545 0.091,546 3.167,547 1.535,548 1.051,549 0.705,550 0.466,551 0.326,552 0.275,553 0.139,554 5954,555 20869,556 2.13,557 34.3,559 7,562 1,564 4,567 1.656,568 1.986,569 3.2,570 -0.198,572 1,574 1,577 61.537,578 1.758,579 3.661,580 4.15,581 4.479,582 4.479,583 4.479,584 2.666,585 3.969,586 4.492,587 3.388,588 857.083,589 7.732,590 9633.51,591 1,592 1,593 1,594 1,595 179.525,596 1.592,597 4.445,598 0.231,599 0.01,600 0.088,601 0.044,602 0.033,603 0.027,604 0.02,605 0.014,606 0.014,607 0.011,608 0.492,609 0.5,610 0.88,611 0.777,612 107.261,614 -0.018,615 0.036,616 -0.007,617 -0.07,618 0.015,619 0.435,620 0.134,621 0.117,622 -0.148,623 0.489,624 -0.177,625 -0.005,626 -0.134,627 0.193,628 0.007,629 0.064,630 0.139,631 -0.271,632 -0.194,633 -0.128,634 -0.005,635 -0.139,636 0.022,637 -0.272,638 0.039,639 -0.305,640 0.113,641 -0.2,642 -0.017,643 -0.054,644 -0.073,645 -0.09,646 -0.073,647 -0.002,648 -0.08,649 0.329,650 0.168,651 0.108,652 -0.108,653 0.121,654 -0.139,655 0.247,656 0.214,657 0.059,658 -0.017,659 0.156,660 -0.072,661 5.606,662 4.641,663 0.783,664 19.641,665 1.042,666 1.16,667 5.102,668 26.034,669 0.676,670 3.296,671 3.689,672 3.892,673 4.143,674 4.369,675 4.522,676 4.71,677 4.828,678 4.86,679 4.905,680 5.707,681 0.683,682 319.32,683 3.296,684 4.875,685 5.74,686 6.645,687 7.526,688 8.431,689 9.318,690 10.222,691 11.114,692 12.019,693 14.3,698 1,701 1,703 3,708 1,709 6,710 3,714 4,716 16,728 1,735 35,737 16,738 1,739 26,741 38,742 15,743 11,744 2,745 4,748 4,749 5,754 1,757 3,759 1,760 3,762 11,763 4,779 1,780 1,781 3,783 12,784 7,785 1,786 8,792 5,797 0.75,808 1,813 1,815 1,816 2,819 1,843 3,849 3,851 23,858 2,860 1,863 1,865 1,871 1,873 3,881 11.583,882 6.312,883 4.75,884 2.125,886 3.171,887 1.437,888 1.039,889 3.188,890 10.422,891 3.555,892 4.216,893 4.819,894 5.458,895 6.031,896 6.445,897 6.94,898 7.379,899 7.662,900 8.019,901 1,902 35,903 8.876,905 4.325,906 8.257,907 15.641,909 13.325,911 2.757,912 63.417,916 129.482,917 82.428,918 69.164,921 44.88,923 82.428,924 129.482,925 114.044,927 5.069,928 56.857,929 72.043,930 52.415,931 2.328,932 129.482,933 7.76,934 129.482,935 151.592,936 44.88,939 82.398,940 91.965,943 18.036,944 65.557,945 68,947 174.362,948 69.164,949 82.428,952 137.242,953 17.811,954 58.021,955 18.011,956 94.869,957 129.482,958 114.044,959 82.428,961 0.606,962 0.321,963 0.16,964 0.084,965 22,966 9,967 0.079,968 3,969 1,970 1.111,971 3.597,972 190.6,973 0.111,974 18,975 93.287,981 14.316,982 5.122,983 2.96,984 0.543,985 112.88,986 8.409,987 12.459,991 0.946,993 18.011,994 325.955,995 34,1007 36.465,1008 40.587,1009 0.343,1010 0.714,1011 0.809,1012 0.873,1013 0.873,1014 0.873,1015 4.828,1016 1.123,1017 5.784,1018 4.166,1019 4.369,1020 4.902,1021 3.052,1022 6.658,1023 4.243,1024 6.087,1025 1,1026 7.394,1027 3.004,1028 4.29,1029 4.879,1030 3.903,1031 7.895,1032 4.002,1033 7.433,1034 0.644,1035 9.114,1036 2.275,1037 6.103,1038 7.178,1039 5.42,1040 10.872,1041 5.823,1042 8.813,1043 0.261,1044 10.898,1045 1.606,1046 6.758,1047 7.932,1048 6.69,1049 12.861,1050 6.305,1051 10.222,1052 -0.373,1053 12.723,1054 0.678,1055 8.146,1056 9.769,1057 8.058,1058 15.455,1059 7.676,1060 11.652,1061 -0.63,1062 14.575,1063 -0.922,1064 9.099,1065 10.899,1066 9.388,1067 17.721,1068 8.471,1069 13.097,1070 -0.889,1071 16.447,1072 -1.612,1073 10.342,1074 12.541,1075 10.734,1076 20.204,1077 9.664,1078 3.318,1079 -1,1080 18.334,1081 -2.699,1082 11.421,1083 13.862,1084 12.074,1085 22.574,1086 10.605,1087 3.163,1088 11.661,1089 20.233,1090 -3,1091 12.615,1092 15.42,1093 13.416,1094 25.023,1095 11.725,1096 2.735,1097 10.94,1098 22.142,1099 4.556,1100 13.749,1101 16.837,1102 14.758,1103 27.433,1104 12.735,1105 2.479,1106 8.053,1107 24.057,1108 3.833,1109 14.928,1110 18.361,1111 16.1,1112 29.873,1113 13.826,1114 2.118,1115 7.587,1116 25.979,1117 3.346,1118 16.086,1119 19.825,1120 17.441,1121 32.299,1122 14.871,1123 1.78,1124 6.164,1125 27.906,1126 3.048,1127 17.262,1128 21.338,1129 18.783,1130 34.738,1131 15.953,1132 1.407,1133 5.126,1134 29.837,1135 2.538,1136 18.433,1137 22.826,1138 20.124,1139 37.172,1140 17.016,1141 5616,1142 10713,1143 17.394,1144 23.648,1145 40.763,1146 39.985,1147 40.492,1148 40.284,1149 40.058,1150 52.148,1151 8.451,1152 122.518,1153 37.537,1154 5.523,1155 6.46,1156 6.526,1157 5.257,1158 5.318,1159 7.556,1160 5.335,1161 18.826,1162 5.019,1163 10.528,1164 1.568,1165 1.538,1166 1.557,1167 1.549,1168 1.541,1169 2.006,1170 0.325,1171 4.712,1172 1.444,1173 4.12,1174 4.178,1175 4.101,1176 3.953,1177 8.513,1178 3.977,1179 3.897,1180 3.943,1181 3.843,1182 3.789,1183 7.999,1184 3.793,1185 3.832,1186 3.88,1187 3.733,1188 3.692,1189 7.999,1190 3.698,1191 3.377,1192 3.423,1193 3.37,1194 3.177,1195 5.217,1196 3.208,1197 3.187,1198 3.251,1199 3.155,1200 2.888,1201 4.668,1202 2.945,1203 2.854,1204 2.935,1205 2.771,1206 2.735,1207 4.561,1208 2.715,1209 2.851,1210 2.925,1211 2.687,1212 2.592,1213 4.239,1214 2.632,1215 2.484,1216 2.553,1217 2.404,1218 2.215,1219 3.91,1220 2.263,1221 0.178,1222 0.172,1223 0.274,1224 0.161,1225 0.128,1226 4.616,1227 0.175,1228 4.46,1229 0.147,1230 7.111,1231 0.448,1232 4.189,1233 0.116,1234 3.318,1235 4.556,1236 3.825,1237 11.661,1238 3.019,1239 1.938,1240 1.91,1241 2.019,1242 2.08,1243 1.135,1244 2.053,1245 1.803,1246 1.758,1247 1.886,1248 1.96,1249 0.964,1250 1.946,1251 1.266,1252 1.223,1253 1.513,1254 1.536,1255 0.825,1256 1.495,1257 1.235,1258 1.162,1259 1.472,1260 1.498,1261 0.771,1262 1.452,1263 1.153,1264 1.064,1265 1.297,1266 1.376,1267 0.406,1268 1.429,1269 0.886,1270 0.821,1271 1.181,1272 1.281,1273 0.218,1274 1.18,1275 0.879,1276 0.815,1277 0.995,1278 1.062,1279 0.074,1280 1.107,1281 0.806,1282 0.741,1283 0.935,1284 1.048,1286 1.041,1287 3.97,1288 1.946,1289 5.342,1290 3.932,1291 6.897,1292 5.82,1293 8.527,1294 7.673,1295 10.196,1299 37.924,1303 2.237,1305 3.269,1308 0.45,1310 -4.356,1314 23.891,1315 61.537,1316 128.141,1317 145.26,1318 156.77,1319 156.77,1320 156.77,1321 38.325,1322 7.251,1323 55.11,1324 55.11,1325 20,1326 12.54,1327 4.087,1328 3.17,1329 31.907,1330 77,1331 72,1332 0.203,1333 142.156,1334 240.65,1335 338.621,1336 12722,1337 8.6,1338 16.027,1339 0.697,1340 0.516,1341 13.527,1342 11.878,1343 11.004,1344 0.423,1345 0.276,1346 7.015,1347 10.371,1348 6.976,1349 5.697,1350 9.793,1351 7.172,1352 11.001,1353 0.282,1354 0.141,1355 9.043,1356 5.506,1357 8.254,1358 0.172,1359 0.07,1360 7.318,1361 3.374,1362 6.782,1363 0.109,1364 0.036,1365 6.083,1366 2.208,1367 5.391,1368 0.069,1369 0.019,1370 5.105,1371 1.461,1372 0.315,1373 70.537,1374 0.24,1375 22.518,1376 0.565,1377 130,1378 561.247,1379 157.48,1380 463.765,1381 616.11,1382 430,1383 155,1384 453.304,1385 177.799,1386 434.474,1387 658.47,1388 409,1389 5.1}
{0 CHEMBL457871,1 1.567,2 8.696,3 1.372,4 1.883,5 87.831,6 7.266,7 0.4,8 3.858,9 3.998,10 3.408,11 3.334,12 4.964,13 3.324,14 4.432,15 4.643,16 3.762,17 3.746,18 5.408,19 3.709,20 4.697,21 4.92,22 3.855,23 3.924,24 5.691,25 3.859,26 4.853,27 5.103,28 3.837,29 3.998,30 5.874,31 3.897,32 4.905,33 5.183,34 3.72,35 4.009,36 5.772,37 3.869,38 4.827,39 5.104,40 3.663,41 3.916,42 5.78,43 3.789,44 4.681,45 4.945,46 3.517,47 3.743,48 5.755,49 3.62,50 4.465,51 4.769,52 3.189,53 3.443,54 5.493,55 3.305,56 0.02,57 0.693,58 9.09,59 3.332,60 9.916,61 4.976,62 0.278,63 1.085,64 18.121,65 5.65,66 22.406,67 8.677,68 0.25,69 1.31,70 24.153,71 7.443,72 39.951,73 11.503,74 0.483,75 1.411,76 29.517,77 9.021,78 72.937,79 13.754,80 0.428,81 1.405,82 31.822,83 9.981,84 54.136,85 15.511,86 0.334,87 1.307,88 29.314,89 8.631,90 58.293,91 13.766,92 0.462,93 1.106,94 25.547,95 7.42,96 68.581,97 11.408,98 0.26,99 0.837,100 21.112,101 5.624,102 40.757,103 9.33,104 20,105 35,106 0.274,107 0.644,108 0.86,109 0.876,110 0.876,111 0.876,112 3.189,113 0.933,114 -3,115 -3.01,116 -2.9,119 37.2,120 1,121 2,122 1,124 1,125 2,127 1,142 1,143 1,147 1,148 1,151 1,158 2,161 1,172 3,174 3,175 8,178 1,180 2,183 1,187 1,188 6,199 3,200 3,203 2,208 2,212 2,213 5,221 4,225 4,230 1,233 3,237 3,238 5,241 1,243 2,246 1,250 2,258 1,263 2,264 2,267 1,269 1,276 709,277 15.56,278 15.56,279 15.56,280 15.56,281 15.56,282 14.091,283 16.291,284 9.16,285 15.944,286 12.26,287 12.26,288 12.26,289 12.26,290 12.26,291 9.988,292 21.804,293 4.2,294 12.86,295 3.859,296 1.738,297 0.5,298 0.407,299 0.407,300 0.407,301 3.866,304 1,305 1,306 1,307 426,308 3.317,311 47.145,312 133.048,315 88.881,319 1.361,320 22.725,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 50,332 200,333 4.557,334 4.093,335 6.803,336 4.155,337 3.205,338 4.474,339 2.65,340 11.145,341 3.046,342 4.076,343 3.667,344 6.327,345 3.883,346 2.919,347 3.218,348 1.749,349 9.527,350 2.813,351 3.838,352 3.345,353 5.963,354 3.58,355 2.613,356 3.056,357 0.8,358 8.302,359 2.528,360 3.477,361 2.888,362 5.451,363 3.125,364 2.176,365 2.619,366 0.547,367 6.657,368 2.054,369 3.365,370 2.381,371 4.576,372 2.508,373 1.554,374 2.321,376 4.315,377 1.481,378 3.048,379 2.038,380 4.211,381 2.485,382 1.543,383 1.92,385 3.807,386 1.46,387 2.703,388 1.614,389 4.104,390 2.479,391 1.52,392 1.708,394 3.61,395 1.437,396 2.521,397 1.547,398 3.659,399 1.947,400 1,401 1.5,403 2.362,404 0.945,405 2.5,406 1.512,407 3.396,408 1.868,409 0.917,410 1.283,412 2.222,413 0.869,414 2.103,415 1.046,416 3.069,417 1.839,418 0.848,419 1.031,421 1.399,422 0.831,423 1.723,424 1,425 2.957,426 1.323,427 0.392,428 0.523,430 0.97,431 0.364,432 1.18,433 0.458,434 2.508,435 0.849,436 -0.127,437 -0.135,439 -0.278,440 -0.123,441 0.963,442 0.157,443 2.291,444 0.419,445 -0.585,446 -0.785,448 -0.922,449 -0.552,450 0.772,451 -0.22,452 2.249,453 0.316,454 -0.614,455 -0.841,457 -1.49,458 -0.594,459 0.5,460 -0.501,461 1.95,462 0.112,463 -0.829,464 -1,466 -2.428,467 -0.78,468 10.733,469 0.467,470 0.559,471 0.024,472 29,473 1.261,474 13,475 0.565,476 16,477 0.696,478 19.759,479 0.859,480 25.267,481 0.588,482 19.773,483 0.86,484 5.462,485 0.237,486 5.651,487 0.246,488 0.161,490 0.354,496 0.785,497 1.683,498 0.793,499 1.281,500 0.477,501 1.069,502 0.81,503 1.013,504 0.86,505 0.91,506 0.488,507 0.885,508 1.057,509 1.244,510 1.01,511 1.144,512 0.839,513 1.079,514 1.012,515 0.926,516 1.059,517 1.027,518 0.787,519 1.054,520 0.811,521 0.904,522 0.977,523 0.993,524 0.721,525 1.012,526 0.939,527 0.99,528 1.011,529 1.021,530 0.943,531 1.02,532 1.186,533 0.907,534 1.136,535 1.024,536 1.404,537 1.08,538 0.98,539 0.917,540 0.952,541 0.928,542 0.899,543 0.923,544 4,545 0.041,546 3.333,547 1.75,548 1.217,549 0.903,550 0.469,551 0.359,552 0.131,553 0.091,554 5072,555 14465,556 2.041,557 46.5,558 3,559 9,560 1,561 1,562 1,563 2,564 3,567 1.662,568 1.89,569 3.116,570 -0.241,571 1,572 1,574 1,577 67.381,578 1.567,579 3.688,580 4.926,581 5.019,582 5.019,583 5.019,584 2.541,585 4.35,586 4.496,587 3.239,588 819.495,589 7.766,590 9094.07,592 1,595 233.329,596 1.478,597 4.443,598 0.16,599 0.007,600 0.095,601 0.047,602 0.035,603 0.029,604 0.016,605 0.015,606 0.008,607 0.008,608 0.42,609 0.5,610 1,611 1.226,612 105.892,613 -0.038,614 -0.402,615 0.063,616 -0.16,617 0.051,618 -0.052,619 0.09,620 0.131,621 0.072,622 0.099,623 0.039,624 0.086,625 -0.099,626 -0.183,627 -0.065,628 -0.131,629 -0.015,630 -0.098,631 0.006,632 0.061,633 -0.087,634 -0.041,635 0.074,636 -0.077,637 0.01,638 0.008,639 -0.006,640 0.009,641 -0.035,643 -0.091,644 -0.06,645 -0.036,646 -0.042,647 -0.079,648 -0.027,649 -0.041,650 0.02,651 -0.136,652 -0.062,653 -0.145,654 -0.115,655 -0.062,656 -0.056,657 0.059,658 0.002,659 0.016,660 0.052,661 1.757,662 5.035,663 0.652,664 16.253,665 1.003,666 1.142,667 1.775,668 3.15,669 0.647,670 3.258,671 3.584,672 3.892,673 4.143,674 4.317,675 4.382,676 4.454,677 4.5,678 4.431,679 4.443,680 5.258,681 0.617,682 312.42,683 3.258,684 4.796,685 5.659,686 6.544,687 7.427,688 8.318,689 9.208,690 10.101,691 10.994,692 11.889,693 14,699 1,700 1,701 1,702 1,703 2,708 2,709 3,710 2,711 1,714 1,716 10,730 1,735 43,737 12,739 25,741 45,742 16,743 6,748 3,749 4,754 1,757 2,758 1,760 3,761 1,762 7,763 8,764 1,767 1,772 1,776 1,779 1,780 1,783 20,784 6,785 1,786 7,792 6,797 0.667,798 1,810 1,811 1,815 1,816 2,819 1,825 1,830 1,843 2,847 2,851 23,858 4,863 2,864 2,866 1,870 1,872 1,874 2.3,877 1,881 12.167,882 8.333,883 5.167,884 2.635,886 2.176,887 1.315,888 0.951,889 4.495,890 9.091,891 3.526,892 4.047,893 4.606,894 5.172,895 5.559,896 5.842,897 6.175,898 6.484,899 6.31,900 6.53,901 0.833,902 37,903 8.495,905 3.583,906 7.819,907 16.252,909 13.401,911 2.319,912 53.333,916 223.651,917 81.567,918 87.665,920 25.145,923 81.567,924 248.796,925 87.665,926 17.222,927 12.405,928 18.524,929 93.509,930 62.161,931 14.099,932 200.109,934 223.651,935 169.231,936 25.145,939 188.338,940 60.458,943 79.409,944 56.252,945 33.571,947 223.651,948 112.809,949 81.567,952 223.651,953 20.601,954 50.612,955 33.387,956 89.775,957 223.651,958 112.809,959 81.567,961 0.578,962 0.355,963 0.194,964 0.099,965 17,966 8,967 0.067,968 3,969 1,970 1.133,971 3.412,972 186.366,973 0.133,974 15,975 104.042,981 15.766,982 6.557,983 3.02,984 1.783,985 96.024,986 5.369,987 8.656,988 3.094,991 0.864,993 16.786,994 418.027,995 33,1000 12.035,1004 -0.09,1007 43.123,1008 49.106,1009 0.289,1010 0.68,1011 0.908,1012 0.925,1013 0.925,1014 0.925,1015 4.783,1016 1,1017 5.652,1018 3.61,1019 4.263,1020 4.732,1021 3.059,1022 6.497,1023 4.171,1024 5.978,1025 0.917,1026 7.238,1027 2.362,1028 3.892,1029 4.511,1030 1.738,1031 7.483,1032 3.769,1033 7.281,1034 0.848,1035 8.928,1036 2.222,1037 5.883,1038 6.879,1039 4.68,1040 10.61,1041 5.702,1042 8.618,1043 0.392,1044 10.679,1045 1.399,1046 6.365,1047 7.584,1048 3.393,1049 12.417,1050 6.15,1051 9.988,1052 -0.127,1053 12.469,1054 0.97,1055 7.817,1056 9.418,1057 6.518,1058 15.061,1059 7.548,1060 11.383,1061 -0.585,1062 14.283,1063 -0.278,1064 8.668,1065 10.557,1066 5.294,1067 17.192,1068 8.358,1069 12.797,1070 -0.614,1071 16.115,1072 -0.922,1073 9.918,1074 12.188,1075 8.412,1076 19.673,1077 9.557,1078 3.205,1079 -0.829,1080 17.96,1081 -1.49,1082 10.929,1083 13.527,1084 7.317,1085 21.945,1086 10.524,1087 2.919,1088 11.145,1089 19.814,1090 -2.428,1091 12.105,1092 15.077,1093 10.325,1094 24.369,1095 11.648,1096 2.613,1097 9.527,1098 21.676,1099 4.474,1100 13.187,1101 16.505,1102 9.381,1103 26.705,1104 12.682,1105 2.176,1106 8.302,1107 23.545,1108 3.218,1109 14.337,1110 18.023,1111 12.246,1112 29.11,1113 13.781,1114 1.554,1115 6.657,1116 25.418,1117 3.056,1118 15.452,1119 19.49,1120 11.448,1121 31.479,1122 14.846,1123 1.543,1124 4.315,1125 27.295,1126 2.619,1127 16.596,1128 20.996,1129 14.171,1130 33.879,1131 15.938,1132 1.52,1133 3.807,1134 29.176,1135 2.321,1136 17.727,1137 22.481,1138 13.507,1139 36.264,1140 17.017,1141 5032,1142 8585,1143 16.414,1144 27.819,1145 38.783,1146 41.043,1147 39.434,1148 37.352,1149 37.373,1150 47.31,1151 11.491,1152 108.632,1153 35.657,1154 5.557,1155 6.093,1156 6.572,1157 5.236,1158 5.205,1159 7.474,1160 5.231,1161 18.665,1162 4.985,1163 11.679,1164 1.551,1165 1.642,1166 1.577,1167 1.494,1168 1.495,1169 1.892,1170 0.46,1171 4.345,1172 1.426,1173 4.1,1174 4.15,1175 4.064,1176 3.952,1177 7.428,1178 3.974,1179 3.895,1180 3.952,1181 3.8,1182 3.741,1183 6.817,1184 3.745,1185 3.595,1186 3.642,1187 3.517,1188 3.418,1189 5.122,1190 3.435,1191 3.408,1192 3.495,1193 3.296,1194 3.18,1195 4.498,1196 3.195,1197 3.22,1198 3.308,1199 3.103,1200 2.993,1201 4.354,1202 3.006,1203 3.213,1204 3.304,1205 3.067,1206 2.99,1207 4.065,1208 2.993,1209 3.001,1210 3.104,1211 2.761,1212 2.799,1213 3.811,1214 2.773,1215 2.844,1216 2.903,1217 2.703,1218 2.558,1219 3.731,1220 2.591,1221 0.182,1222 0.164,1223 0.272,1224 0.166,1225 0.128,1226 4.557,1227 0.179,1228 4.093,1229 0.106,1230 6.803,1231 0.446,1232 4.155,1233 0.122,1234 3.205,1235 4.474,1236 2.65,1237 11.145,1238 3.046,1239 1.902,1240 1.851,1241 2.07,1242 2.081,1243 1.441,1244 2.077,1245 1.773,1246 1.729,1247 1.856,1248 1.957,1249 0.99,1250 1.931,1251 1.53,1252 1.486,1253 1.709,1254 1.742,1255 0.847,1256 1.73,1257 1.466,1258 1.396,1259 1.641,1260 1.696,1261 0.804,1262 1.692,1263 1.289,1264 1.199,1265 1.601,1266 1.535,1267 0.679,1268 1.563,1269 1.196,1270 1.104,1271 1.534,1272 1.45,1273 0.604,1274 1.481,1275 1.036,1276 0.935,1277 1.421,1278 1.284,1279 0.593,1280 1.337,1281 0.869,1282 0.79,1283 1.09,1284 1.123,1285 0.256,1286 1.121,1287 3.932,1289 5.252,1290 2.398,1291 6.779,1292 4.595,1293 8.402,1294 6.605,1295 10.075,1297 4.205,1303 2.206,1308 0.606,1309 3.925,1312 8.739,1313 1.943,1314 26.531,1315 67.381,1316 158.574,1317 211.82,1318 215.82,1319 215.82,1320 215.82,1321 41.059,1322 6.915,1323 88.91,1324 88.91,1325 17,1326 12.415,1327 3.7,1328 3.17,1329 36.646,1330 71,1331 84,1332 0.255,1333 166.338,1334 282.79,1335 397.625,1336 8339,1338 16.397,1339 0.713,1340 0.581,1341 16.397,1342 13.359,1343 11.113,1344 0.445,1345 0.311,1346 7.64,1347 10.602,1348 7.414,1349 6.159,1350 11.113,1351 7.771,1352 9.789,1353 0.28,1354 0.173,1355 9.789,1356 6.056,1357 8.578,1358 0.179,1359 0.097,1360 8.578,1361 4.666,1362 7.119,1363 0.115,1364 0.053,1365 7.119,1366 3.256,1367 5.314,1368 0.072,1369 0.03,1370 5.314,1371 2.188,1372 0.387,1373 70.171,1374 0.247,1375 22.155,1376 0.736,1377 120,1378 352.294,1379 133.066,1380 343.07,1381 463.41,1382 320,1383 143,1384 336.58,1385 157.178,1386 341.037,1387 495.21,1388 319,1389 6.347}
{0 CHEMBL458997,1 1.713,2 13.182,3 3.918,4 15.348,5 128.203,6 8.086,7 0.5,8 4.174,9 4.293,10 3.805,11 3.656,12 5.306,13 3.661,14 4.698,15 4.87,16 4.153,17 4.02,18 5.807,19 4.006,20 4.895,21 5.085,22 4.286,23 4.164,24 6.006,25 4.131,26 4.936,27 5.13,28 4.198,29 4.197,30 6.039,31 4.132,32 5.01,33 5.235,34 4.239,35 4.217,36 6.067,37 4.147,38 4.994,39 5.214,40 4.237,41 4.183,42 6.055,43 4.114,44 4.905,45 5.117,46 4.207,47 4.077,48 6.036,49 4.01,50 4.83,51 5.069,52 4.034,53 3.978,54 5.899,55 3.88,56 0.103,57 0.88,58 10.837,59 4.726,60 9.168,61 6.072,62 0.504,63 1.339,64 22.562,65 7.795,66 33.818,67 10.066,68 0.644,69 1.559,70 30.635,71 9.294,72 45.429,73 12.724,74 0.577,75 1.621,76 30.182,77 10.654,78 52.222,79 14.255,80 0.637,81 1.675,82 34.581,83 11.221,84 57.532,85 15.701,86 0.654,87 1.585,88 36.764,89 11.083,90 57.228,91 14.973,92 0.822,93 1.439,94 35.121,95 9.696,96 64.389,97 13.108,98 0.71,99 1.316,100 34.282,101 9.452,102 60.855,103 13.263,104 22,105 49,106 0.279,107 0.632,108 0.79,109 0.851,110 0.87,111 0.87,112 3.532,113 0.904,114 -3.42,115 -3.4,116 -3.25,119 39.7,124 2,125 4,142 7,143 1,144 5,145 1,147 1,150 1,158 1,172 5,174 1,175 4,178 4,180 4,183 5,187 1,188 5,191 1,193 6,196 3,199 1,200 7,203 2,204 2,205 3,212 2,213 9,216 1,218 2,221 2,224 1,225 4,228 1,230 3,233 2,237 3,238 3,241 1,243 5,246 2,249 1,250 2,253 3,254 1,255 1,258 4,264 2,267 1,272 6,276 1951,277 22.67,278 22.67,279 22.67,280 22.67,281 22.67,282 20.351,283 36.264,284 13.446,285 23.515,286 17.646,287 17.646,288 17.646,289 17.646,290 17.646,291 14.028,292 58.098,293 6.219,294 18.915,295 4.145,296 1.974,297 0.999,298 0.625,299 0.509,300 0.509,301 4.229,302 1,305 1,306 1,307 933,308 3.391,312 462.408,319 2.017,320 31.8,323 1,324 0.67,325 1,326 0.8,327 0.5,328 1,329 1,330 0.85,331 72.333,332 435,333 4.381,334 3.585,335 6.467,336 4.007,337 3.038,338 4.01,339 1.058,340 10.021,341 2.971,342 4.32,343 3.247,344 6.292,345 3.947,346 2.989,347 3.943,348 0.86,349 9.584,350 2.849,351 4.185,352 3.188,353 6.077,354 3.739,355 2.815,356 3.814,357 0.86,358 8.828,359 2.561,360 3.826,361 2.97,362 5.984,363 3.56,364 2.633,365 3.091,366 0.8,367 8.494,368 2.428,369 3.496,370 2.652,371 5.221,372 3.106,373 2.181,374 2.78,375 0.4,376 6.497,377 2.043,378 3.399,379 2.476,380 5.032,381 2.98,382 2.024,383 2.646,384 0.4,385 5.631,386 1.877,387 2.967,388 2.288,389 4.482,390 2.714,391 1.794,392 2.144,394 4.521,395 1.644,396 2.962,397 1.895,398 4.297,399 2.509,400 1.564,401 2.044,403 4.004,404 1.465,405 2.878,406 1.8,407 4.211,408 2.455,409 1.521,410 1.99,412 3.851,413 1.408,414 2.757,415 1.525,416 3.851,417 2.247,418 1.306,419 1.867,421 3.1,422 1.202,423 2.578,424 1.383,425 3.573,426 2.114,427 1.155,428 1.571,430 2.704,431 1.108,432 2.262,433 1.298,434 3.511,435 2.037,436 1.126,437 1.247,439 2.6,440 1.009,441 2,442 1.256,443 3.247,444 1.952,445 1,446 1,448 2.136,449 0.946,450 1.783,451 1.087,452 3.116,453 1.461,454 0.567,455 0.668,457 1.162,458 0.498,459 1.588,460 0.941,461 2.977,462 1.26,463 0.36,464 0.426,466 0.732,467 0.301,468 15.614,469 0.473,470 0.674,471 0.02,472 44.25,473 1.341,474 21.5,475 0.652,476 22.75,477 0.689,478 27.168,479 0.823,480 35.986,481 0.62,482 36.232,483 1.098,484 9.09,485 0.275,486 6.994,487 0.212,488 0.131,490 0.314,496 0.871,497 1.513,498 0.653,499 1.104,500 0.65,501 0.947,502 1.129,503 1.005,504 0.77,505 0.816,506 0.736,507 0.82,508 0.993,509 1.151,510 0.888,511 0.989,512 0.865,513 0.941,514 0.919,515 1.15,516 0.932,517 1.102,518 1.186,519 1.111,520 0.831,521 1.034,522 0.782,523 0.937,524 0.927,525 0.938,526 1.136,527 1.046,528 1.03,529 0.952,530 0.89,531 0.944,532 1.068,533 1.041,534 1.137,535 1.014,536 0.881,537 1.009,538 0.83,539 0.957,540 1.15,541 1.006,542 0.82,543 1.002,544 6,545 0.19,546 3.778,547 1.938,548 1.76,549 1.16,550 0.811,551 0.582,552 0.34,553 0.211,554 15772,555 45860,556 2.079,557 43.1,559 21,561 1,562 3,567 1.753,568 1.96,569 3.677,570 0.892,577 99.36,578 1.713,579 3.884,580 4.859,581 5.233,582 5.349,583 5.349,584 3.095,585 4.741,586 5.017,587 3.843,588 2029.04,589 8.786,590 30752.6,595 339.763,596 1.35,597 4.982,598 0.167,599 0.006,600 0.077,601 0.037,602 0.036,603 0.023,604 0.017,605 0.014,606 0.009,607 0.007,608 0.392,609 0.33,610 0.88,611 0.92,612 176.151,613 -0.087,614 -0.278,615 0.031,616 -0.108,617 -0.059,618 -0.021,619 -0.069,620 0.117,621 0.039,622 0.132,623 0.016,624 0.094,626 -0.071,627 0.027,628 -0.024,629 0.045,631 -0.013,632 -0.089,633 -0.09,634 -0.125,635 -0.062,636 -0.15,637 0.032,638 -0.02,639 0.085,640 0.028,641 0.004,642 0.042,643 -0.109,644 -0.057,645 0.011,646 0.031,647 -0.023,648 0.03,649 0.048,650 -0.035,651 -0.004,652 -0.038,653 0.069,654 -0.056,655 0.113,656 0.019,657 0.019,658 -0.018,659 0.1,660 -0.013,661 1.883,662 5.176,663 0.727,664 36.132,665 1.013,666 1.133,667 2.187,668 4.782,669 0.67,670 3.611,671 3.912,672 4.19,673 4.419,674 4.663,675 4.682,676 4.812,677 4.913,678 4.99,679 5.081,680 7.688,681 0.644,682 468.99,683 3.611,684 5.142,685 5.989,686 6.855,687 7.719,688 8.59,689 9.459,690 10.332,691 11.203,692 12.076,693 10.3,699 1,700 1,701 2,703 2,709 8,710 2,714 8,716 18,723 1,728 2,730 1,733 1,734 1,735 58,737 19,738 2,739 36,741 61,742 23,743 16,744 5,745 7,746 1,748 4,749 4,750 1,762 17,763 6,767 1,772 1,776 1,783 25,784 9,785 3,786 10,787 1,792 6,797 1,798 3,810 1,816 4,842 1,843 4,847 2,848 1,851 33,858 4,860 3,861 2,864 1,873 1,874 5.2,877 1,878 1,879 1,881 16.833,882 10.91,883 7.472,884 3.259,886 3.575,887 1.452,888 0.98,889 7.749,890 11.488,891 3.85,892 4.413,893 4.965,894 5.485,895 6.025,896 6.187,897 6.534,898 6.895,899 7.242,900 7.603,901 0.889,902 53,903 12.148,905 5.06,906 7.761,907 23.008,909 18.256,911 2.261,912 74.611,916 258.964,917 137.188,918 90.728,919 39.149,920 47.145,923 137.188,924 345.258,925 90.728,926 19.279,927 31.407,928 66.334,929 86.192,930 79.393,931 4.227,932 247.193,933 39.149,934 258.964,935 227.916,936 47.145,937 39.149,939 258.964,940 36.145,941 11,943 78.375,944 115.97,945 72.72,947 258.964,948 137.872,949 176.337,952 258.964,953 42.528,954 97.785,955 54.032,956 119.864,957 258.964,958 137.872,959 176.337,961 0.571,962 0.345,963 0.185,964 0.104,965 22,966 10,967 0.115,968 7,970 1,971 4.374,972 301.2,974 24,975 162.465,981 23.419,982 10.919,983 5.609,985 137.872,986 14.528,987 8.779,991 4.518,993 54.032,994 573.173,995 46,1000 12.176,1004 -0.216,1007 58.752,1008 65.714,1009 0.292,1010 0.663,1011 0.83,1012 0.893,1013 0.913,1014 0.913,1015 5.078,1016 1.564,1017 5.958,1018 4.521,1019 4.595,1020 5.1,1021 2.054,1022 6.751,1023 4.468,1024 6.263,1025 1.521,1026 7.507,1027 4.004,1028 4.111,1029 4.844,1030 0.325,1031 7.618,1032 3.922,1033 7.559,1034 1.306,1035 9.156,1036 3.851,1037 6.172,1038 7.245,1039 1.834,1040 10.702,1041 5.942,1042 8.89,1043 1.155,1044 10.864,1045 3.1,1046 6.524,1047 7.801,1048 0.268,1049 12.382,1050 6.24,1051 10.253,1052 1.126,1053 12.609,1054 2.704,1055 8.023,1056 9.674,1057 1.743,1058 14.959,1059 7.705,1060 11.638,1061 1,1062 14.379,1063 2.6,1064 8.762,1065 10.609,1066 0.188,1067 16.968,1068 8.399,1069 13.039,1070 0.567,1071 16.166,1072 2.136,1073 10.026,1074 12.248,1075 1.708,1076 19.358,1077 9.63,1078 3.038,1079 0.36,1080 17.966,1081 1.162,1082 10.949,1083 13.379,1084 0.125,1085 21.511,1086 10.516,1087 2.989,1088 10.021,1089 19.774,1090 0.732,1091 12.111,1092 14.899,1093 1.708,1094 23.828,1095 11.647,1096 2.815,1097 9.584,1098 21.589,1099 4.01,1100 13.122,1101 16.135,1102 0.082,1103 26.044,1104 12.624,1105 2.633,1106 8.828,1107 23.41,1108 3.943,1109 14.24,1110 17.591,1111 1.735,1112 28.334,1113 13.714,1114 2.181,1115 8.494,1116 25.234,1117 3.814,1118 15.292,1119 18.886,1120 0.054,1121 30.581,1122 14.737,1123 2.024,1124 6.497,1125 27.062,1126 3.091,1127 16.393,1128 20.306,1129 1.783,1130 32.862,1131 15.81,1132 1.794,1133 5.631,1134 28.893,1135 2.78,1136 17.465,1137 21.635,1138 0.035,1139 35.125,1140 16.856,1141 15073,1142 25893,1143 24.156,1144 38.87,1145 52.881,1146 55.052,1147 55.046,1148 52.771,1149 52.694,1150 67.122,1151 8.757,1152 148.615,1153 49.104,1154 5.381,1155 5.585,1156 6.269,1157 5.11,1158 5.038,1159 7.01,1160 2.117,1161 16.737,1162 4.971,1163 15.529,1164 1.469,1165 1.529,1166 1.529,1167 1.466,1168 1.464,1169 1.865,1170 0.243,1171 4.128,1172 1.364,1173 4.01,1174 4.048,1175 4.033,1176 3.897,1177 7.429,1178 3.907,1179 3.932,1180 3.962,1181 3.892,1182 3.842,1183 5.102,1184 3.848,1185 3.793,1186 3.839,1187 3.848,1188 3.64,1189 4.856,1190 3.659,1191 3.674,1192 3.715,1193 3.579,1194 3.478,1195 4.717,1196 3.49,1197 3.461,1198 3.539,1199 3.35,1200 3.201,1201 4.615,1202 3.227,1203 3.246,1204 3.312,1205 3.303,1206 2.97,1207 4.506,1208 2.982,1209 3.123,1210 3.206,1211 3.068,1212 2.941,1213 4.357,1214 2.928,1215 3.111,1216 3.195,1217 2.968,1218 2.907,1219 4.18,1220 2.91,1221 0.122,1222 0.1,1223 0.18,1224 0.111,1225 0.084,1226 4.381,1227 0.111,1228 3.585,1229 0.029,1230 6.467,1231 0.278,1232 4.007,1233 0.083,1234 3.038,1235 4.01,1236 1.058,1237 10.021,1238 2.971,1239 1.926,1240 1.899,1241 2.02,1242 2.066,1243 1.237,1244 2.052,1245 1.906,1246 1.88,1247 2.009,1248 2.025,1249 1.103,1250 2.02,1251 1.708,1252 1.666,1253 1.849,1254 1.91,1255 1.023,1256 1.892,1257 1.617,1258 1.569,1259 1.726,1260 1.814,1261 0.825,1262 1.804,1263 1.385,1264 1.307,1265 1.68,1266 1.681,1267 0.755,1268 1.684,1269 1.193,1270 1.12,1271 1.568,1272 1.507,1273 0.68,1274 1.527,1275 1.153,1276 1.064,1277 1.513,1278 1.376,1279 0.573,1280 1.429,1281 1.036,1282 0.971,1283 1.216,1284 1.299,1285 0.308,1286 1.281,1287 4.29,1289 5.595,1291 7.106,1293 8.706,1295 10.349,1297 3.2,1298 6.324,1303 3.088,1305 8.942,1306 11.021,1309 2.251,1314 37.368,1315 99.36,1316 225.299,1317 281.847,1318 303.498,1319 310.253,1320 310.253,1321 55.972,1322 7.913,1323 100.64,1324 100.64,1325 24,1326 12.617,1327 4.322,1328 3.459,1329 54.394,1330 153,1331 151,1332 0.171,1333 233.634,1334 405.5,1335 561.827,1336 33006,1337 1.7,1338 23.209,1339 0.703,1340 0.58,1341 23.709,1342 19.148,1343 16.084,1344 0.447,1345 0.301,1346 10.289,1347 15.003,1348 10.018,1349 8.3,1350 16.373,1351 10.85,1352 13.881,1353 0.283,1354 0.156,1355 14.252,1356 7.656,1357 12.077,1358 0.186,1359 0.084,1360 12.457,1361 5.48,1362 9.66,1363 0.118,1364 0.044,1365 9.88,1366 3.628,1367 8.125,1368 0.077,1369 0.024,1370 8.427,1371 2.481,1372 0.273,1373 105.184,1374 0.203,1375 30.84,1376 0.461,1377 170,1378 545.344,1379 205.397,1380 547.219,1381 737.84,1382 514,1383 199,1384 515.695,1385 232.149,1386 529.968,1387 775.77,1388 497,1389 5.7}
{0 CHEMBL461876,1 1.725,2 12.711,3 3.376,4 11.399,5 141.121,6 7.979,7 0.524,8 4.3,9 4.427,10 3.914,11 3.769,12 5.49,13 3.788,14 4.821,15 4.999,16 4.302,17 4.165,18 6.012,19 4.171,20 5.019,21 5.194,22 4.389,23 4.302,24 6.217,25 4.292,26 5.151,27 5.359,28 4.459,29 4.32,30 6.473,31 4.303,32 5.171,33 5.385,34 4.334,35 4.296,36 6.365,37 4.28,38 5.103,39 5.311,40 4.384,41 4.358,42 6.239,43 4.319,44 5.197,45 5.421,46 4.413,47 4.38,48 6.318,49 4.339,50 5.184,51 5.414,52 4.376,53 4.289,54 6.446,55 4.249,56 0.162,57 1.106,58 12.066,59 5.043,60 15.555,61 6.481,62 0.577,63 1.711,64 24.084,65 8.571,66 44.733,67 11.298,68 0.63,69 2.039,70 29.375,71 10.467,72 59.868,73 13.643,74 1,75 2.164,76 36.908,77 12.158,78 119.599,79 16.581,80 1.179,81 2.089,82 39.261,83 10.42,84 128.24,85 13.922,86 0.746,87 2.082,88 34.087,89 11.814,90 73.474,91 16.465,92 0.818,93 2.233,94 38.641,95 12.454,96 73.188,97 17.826,98 1.204,99 2.149,100 40.172,101 12.159,102 111.269,103 17.238,104 61,105 61,106 0.271,107 0.661,108 0.832,109 0.874,110 0.874,111 0.874,112 3.668,113 0.849,114 -3.55,115 -3.52,116 -3.36,119 40,121 1,124 3,125 2,142 6,143 3,144 5,147 1,150 1,151 1,158 2,161 1,163 1,164 1,165 1,172 5,174 2,175 7,177 1,178 5,180 7,183 5,185 1,187 2,188 5,191 1,193 3,196 3,200 10,203 4,204 4,205 5,207 1,208 2,210 2,212 3,213 8,218 3,221 3,223 1,224 3,225 7,227 1,228 2,230 7,233 3,235 1,237 1,238 5,241 3,243 5,246 3,248 1,249 4,250 3,252 1,253 5,254 2,255 4,257 2,258 4,263 2,264 3,269 2,272 5,276 2790,277 25.403,278 25.403,279 25.403,280 25.403,281 25.403,282 22.495,283 38.012,284 14.633,285 26.078,286 20.681,287 20.681,288 20.681,289 20.681,290 20.681,291 16.056,292 62.954,293 6.834,294 21.716,295 4.298,296 1.817,297 0.735,298 0.466,299 0.466,300 0.466,301 4.368,307 1042,308 4.359,311 176.779,312 308.45,315 306.882,319 1.884,320 50.916,323 0.5,324 0.67,325 0.67,326 0.6,328 0.5,329 0.5,330 0.49,331 84.5,332 483,333 4.573,334 3.793,335 6.721,336 4.167,337 3.204,338 4.503,339 1.989,340 10.943,341 3.084,342 4.487,343 3.607,344 6.703,345 4.117,346 3.15,347 4.128,348 0.98,349 10.768,350 3.053,351 4.427,352 3.252,353 6.532,354 3.997,355 3.028,356 4.103,357 0.86,358 10.287,359 2.922,360 4.026,361 3.145,362 6.141,363 3.714,364 2.762,365 3.354,366 0.835,367 9.034,368 2.624,369 3.674,370 2.916,371 5.595,372 3.351,373 2.387,374 3.042,375 0.543,376 7.253,377 2.301,378 3.556,379 2.855,380 5.323,381 3.129,382 2.203,383 2.878,384 0.4,385 6.62,386 2.052,387 3.5,388 2.48,389 5.271,390 3.105,391 2.177,392 2.792,393 0.4,394 6.606,395 2.009,396 3.343,397 2.458,398 4.932,399 2.903,400 1.942,401 2.576,403 5.335,404 1.865,405 3.194,406 2.403,407 4.807,408 2.881,409 1.91,410 2.456,412 5.307,413 1.813,414 3.106,415 1.996,416 4.678,417 2.726,418 1.786,419 2.26,421 4.703,422 1.665,423 2.952,424 1.962,425 4.534,426 2.603,427 1.64,428 1.988,430 4.559,431 1.571,432 2.657,433 1.76,434 3.975,435 2.162,436 1.173,437 1.682,439 2.912,440 1.153,441 2.605,442 1.347,443 3.772,444 2.108,445 1.142,446 1.648,448 2.72,449 1.099,450 2.314,451 1.312,452 3.704,453 2.069,454 1.087,455 1.231,457 2.58,458 1.058,459 2.233,460 1.128,461 3.587,462 1.936,463 1,464 1.161,466 2.447,467 0.928,468 17.486,469 0.46,470 1.1,471 0.029,472 51.5,473 1.355,474 25,475 0.658,476 26.5,477 0.697,478 33.372,479 0.878,480 41.314,481 0.636,482 47.175,483 1.241,484 10.537,485 0.277,486 7.707,487 0.203,488 0.163,490 0.417,494 1,496 0.798,497 1.349,498 0.731,499 1.105,500 0.615,501 0.925,502 0.799,503 0.929,504 0.733,505 0.82,506 0.53,507 0.765,508 1.027,509 1.279,510 0.979,511 1.155,512 1.011,513 1.073,514 0.818,515 1.04,516 0.825,517 1.07,518 0.809,519 0.979,520 1.494,521 0.949,522 1.22,523 0.806,524 1.49,525 0.907,526 0.7,527 0.96,528 0.86,529 1.006,530 0.566,531 0.977,532 0.743,533 1.113,534 0.886,535 1.068,536 0.623,537 1.012,538 0.807,539 0.881,540 0.908,541 0.967,542 0.756,543 0.969,544 8.5,545 0.282,546 4.444,547 3.507,548 2.387,549 1.438,550 1.194,551 0.871,552 0.609,553 0.438,554 21506,555 63796,556 2.066,557 41.5,559 19,560 1,562 5,564 2,567 1.792,568 1.9,569 3.621,570 2.266,577 112.106,578 1.725,579 4.205,580 5.287,581 5.557,582 5.557,583 5.557,584 3.034,585 5.037,586 5.221,587 3.827,588 2690.1,589 9.221,590 43873.7,595 391.454,596 1.504,597 5.162,598 0.202,599 0.006,600 0.073,601 0.055,602 0.036,603 0.024,604 0.019,605 0.014,606 0.01,607 0.01,608 0.449,609 0.17,610 0.63,611 1.153,612 209.176,613 -0.106,614 -0.208,615 0.034,616 -0.06,617 -0.078,618 0.012,619 0.034,620 0.125,621 0.139,622 0.173,623 0.084,624 0.177,625 -0.092,626 -0.199,627 -0.09,628 -0.146,629 -0.097,630 -0.125,631 0.185,632 -0.025,633 0.139,634 -0.085,635 0.202,636 -0.012,637 -0.295,638 0.068,639 -0.223,640 0.112,641 -0.259,642 -0.003,643 0.055,644 -0.006,645 0.05,646 -0.004,647 0.058,648 0.013,649 0.047,650 -0.162,651 0.056,652 -0.089,653 0.033,654 -0.024,655 0.209,656 0.096,657 0.092,658 -0.01,659 0.143,660 -0.001,661 2.57,662 6.338,663 0.632,664 40.338,665 1.018,666 1.14,667 2.32,668 5.382,669 0.661,670 3.761,671 4.127,672 4.431,673 4.754,674 4.942,675 5.124,676 5.303,677 5.497,678 5.565,679 5.74,680 7.75,681 0.646,682 518.61,683 3.761,684 5.333,685 6.205,686 7.111,687 7.999,688 8.91,689 9.806,690 10.718,691 11.618,692 12.531,693 12.3,696 1,700 2,701 3,703 2,708 2,709 7,710 2,711 1,714 9,716 22,722 1,728 2,733 1,734 1,735 65,737 24,738 2,739 42,741 69,742 26,743 18,744 7,745 5,746 1,748 5,749 7,757 1,760 1,762 20,763 6,767 2,772 2,776 2,781 1,783 27,784 11,785 5,786 12,792 8,797 0.6,798 3,810 1,811 1,815 2,816 3,819 2,830 1,839 1,843 3,847 3,849 1,851 38,852 1,858 3,860 2,861 1,864 2,873 1,874 4.6,877 2,879 1,881 20,882 12.61,883 8.25,884 3.561,886 4.452,887 1.507,888 1.012,889 7.21,890 13.229,891 4.025,892 4.666,893 5.271,894 5.896,895 6.393,896 6.769,897 7.193,898 7.663,899 7.964,900 8.438,901 1,902 64,903 14.11,905 6.17,906 7.952,907 26.201,909 21.44,911 2.452,912 93.167,916 258.964,917 147.257,918 125.524,920 61.29,921 14.96,923 147.257,924 320.254,925 140.484,926 27.676,927 42.767,928 65.905,929 94.986,930 98.51,931 30.958,932 247.193,934 258.964,935 272.781,936 76.25,939 250.382,940 84.832,943 102.313,944 136.897,945 33.571,947 273.924,948 186.814,949 147.257,952 258.964,953 53.676,954 99.829,955 52.807,956 142.718,957 258.964,958 201.774,959 147.257,961 0.589,962 0.347,963 0.199,964 0.099,965 30,966 15,967 0.116,968 8,969 2,970 1.167,971 4.593,972 390.243,973 0.167,974 24,975 195.421,981 25.915,982 10.573,983 5.188,984 1.126,985 184.988,986 11.378,987 9.13,988 3.046,991 2.64,993 85.704,994 607.995,995 55,1000 24.711,1004 -0.902,1007 66.145,1008 74.106,1009 0.286,1010 0.698,1011 0.878,1012 0.923,1013 0.923,1014 0.923,1015 5.291,1016 1.942,1017 6.217,1018 6.606,1019 4.812,1020 5.354,1021 2.583,1022 7.076,1023 4.721,1024 6.521,1025 1.91,1026 7.807,1027 5.335,1028 4.511,1029 5.293,1030 1.738,1031 8.059,1032 4.382,1033 7.85,1034 1.786,1035 9.494,1036 5.307,1037 6.454,1038 7.599,1039 3.239,1040 11.179,1041 6.284,1042 9.214,1043 1.64,1044 11.239,1045 4.703,1046 6.948,1047 8.345,1048 3.224,1049 12.977,1050 6.745,1051 10.608,1052 1.173,1053 13.02,1054 4.559,1055 8.387,1056 10.158,1057 4.337,1058 15.614,1059 8.149,1060 12.025,1061 1.142,1062 14.826,1063 2.912,1064 9.239,1065 11.279,1066 4.689,1067 17.746,1068 8.969,1069 13.459,1070 1.087,1071 16.65,1072 2.72,1073 10.488,1074 12.896,1075 5.601,1076 20.214,1077 10.184,1078 3.204,1079 1,1080 18.489,1081 2.58,1082 11.502,1083 14.198,1084 6.118,1085 22.484,1086 11.165,1087 3.15,1088 10.943,1089 20.338,1090 2.447,1091 12.68,1092 15.732,1093 6.927,1094 24.89,1095 12.31,1096 3.028,1097 10.768,1098 22.196,1099 4.503,1100 13.765,1101 17.121,1102 7.524,1103 27.218,1104 13.362,1105 2.762,1106 10.287,1107 24.06,1108 4.128,1109 14.917,1110 18.62,1111 8.277,1112 29.601,1113 14.481,1114 2.387,1115 9.034,1116 25.93,1117 4.103,1118 16.034,1119 20.054,1120 8.915,1121 31.954,1122 15.563,1123 2.203,1124 7.253,1125 27.804,1126 3.354,1127 17.179,1128 21.539,1129 9.639,1130 34.331,1131 16.674,1132 2.177,1133 6.62,1134 29.682,1135 3.042,1136 18.31,1137 22.995,1138 10.3,1139 36.695,1140 17.771,1141 20511,1142 35562,1143 27.57,1144 42.961,1145 64.131,1146 66.249,1147 66.711,1148 63.551,1149 63.529,1150 82.588,1151 12.011,1152 189.797,1153 60.558,1154 5.496,1155 5.793,1156 6.257,1157 5.246,1158 5.204,1159 7.503,1160 3.465,1161 18.073,1162 5.084,1163 22.666,1164 1.527,1165 1.577,1166 1.588,1167 1.513,1168 1.513,1169 1.966,1170 0.286,1171 4.519,1172 1.442,1173 4.12,1174 4.166,1175 4.091,1176 3.984,1177 8.201,1178 4.004,1179 4.007,1180 4.04,1181 3.963,1182 3.904,1183 7.437,1184 3.915,1185 3.921,1186 3.947,1187 3.888,1188 3.828,1189 7.427,1190 3.838,1191 3.68,1192 3.746,1193 3.589,1194 3.456,1195 5.129,1196 3.48,1197 3.501,1198 3.571,1199 3.391,1200 3.293,1201 4.891,1202 3.304,1203 3.352,1204 3.419,1205 3.272,1206 3.101,1207 4.847,1208 3.134,1209 3.335,1210 3.39,1211 3.253,1212 3.079,1213 4.615,1214 3.116,1215 3.187,1216 3.262,1217 3.067,1218 2.953,1219 4.487,1220 2.965,1221 0.109,1222 0.09,1223 0.16,1224 0.099,1225 0.076,1226 4.573,1227 0.107,1228 3.793,1229 0.047,1230 6.721,1231 0.261,1232 4.167,1233 0.073,1234 3.204,1235 4.503,1236 1.989,1237 10.943,1238 3.084,1239 1.926,1240 1.9,1241 1.993,1242 2.068,1243 1.186,1244 2.041,1245 1.888,1246 1.869,1247 1.966,1248 1.997,1249 1.092,1250 1.986,1251 1.763,1252 1.732,1253 1.863,1254 1.917,1255 1.053,1256 1.895,1257 1.637,1258 1.571,1259 1.811,1260 1.881,1261 0.943,1262 1.874,1263 1.468,1264 1.399,1265 1.717,1266 1.694,1267 0.912,1268 1.704,1269 1.449,1270 1.368,1271 1.636,1272 1.69,1273 0.605,1274 1.685,1275 1.225,1276 1.171,1277 1.57,1278 1.536,1279 0.586,1280 1.539,1281 1.214,1282 1.164,1283 1.417,1284 1.525,1285 0.545,1286 1.501,1287 4.443,1289 5.796,1290 3.045,1291 7.334,1292 5.352,1293 8.965,1294 7.424,1295 10.648,1297 5.27,1299 14.338,1301 5.415,1303 1.604,1305 6.209,1306 5.611,1309 3.594,1314 41.967,1315 112.106,1316 273.325,1317 343.679,1318 361.189,1319 361.189,1320 361.189,1321 83.659,1322 8.777,1323 141.5,1324 141.5,1325 28,1326 13.046,1327 4.644,1328 3.807,1329 58.873,1330 177,1331 179,1332 0.161,1333 255.617,1334 441.72,1335 615.465,1336 91542,1337 1.5,1338 26.974,1339 0.71,1340 0.556,1341 26.104,1342 21.132,1343 18.244,1344 0.434,1345 0.283,1346 11.631,1347 17.282,1348 11.321,1349 9.405,1350 17.834,1351 11.883,1352 17.085,1353 0.28,1354 0.15,1355 16.548,1356 9.127,1357 14.014,1358 0.169,1359 0.075,1360 13.633,1361 6.224,1362 12.796,1363 0.111,1364 0.039,1365 12.174,1366 4.515,1367 9.387,1368 0.068,1369 0.02,1370 9.314,1371 2.84,1372 0.252,1373 116.297,1374 0.19,1375 34.018,1376 0.444,1377 206,1378 696.209,1379 232.541,1380 643.772,1381 872.11,1382 600,1383 247,1384 642.039,1385 273.928,1386 644.939,1387 948.28,1388 603,1389 5.5}
{0 CHEMBL462120,1 1.618,2 6.368,3 2.199,4 4.835,5 76.305,6 9.024,7 0.571,8 3.523,9 3.626,10 3.248,11 3.192,12 4.744,13 3.169,14 3.969,15 4.08,16 3.646,17 3.586,18 5.195,19 3.543,20 4.242,21 4.393,22 3.743,23 3.718,24 5.494,25 3.655,26 4.256,27 4.427,28 3.664,29 3.663,30 5.454,31 3.598,32 4.24,33 4.413,34 3.701,35 3.621,36 5.521,37 3.557,38 4.234,39 4.434,40 3.543,41 3.482,42 5.517,43 3.376,44 3.967,45 4.213,46 3.031,47 3.075,48 5.163,49 2.883,50 3.23,51 3.545,52 1.858,53 2.223,54 4.054,55 1.935,56 0.046,57 0.401,58 4.148,59 2.265,60 7.834,61 2.637,62 0.081,63 0.606,64 7.056,65 3.962,66 10.356,67 4.896,68 0.194,69 0.792,70 13.751,71 5.62,72 33.625,73 6.835,74 0.176,75 0.814,76 13.706,77 5.589,78 29.263,79 6.582,80 0.165,81 0.79,82 13.112,83 5.562,84 26.454,85 6.715,86 0.268,87 0.756,88 16.567,89 5.837,90 45.638,91 6.704,92 0.31,93 0.538,94 19.284,95 5.264,96 46.095,97 6.328,98 0.123,99 0.25,100 10.435,101 2.85,102 18.627,103 3.771,104 10,105 30,106 0.304,107 0.579,108 0.717,109 0.842,110 0.859,111 0.859,112 3.013,113 0.887,114 -4.47,115 -4.39,116 -4.14,119 50,136 1,138 1,142 8,143 2,144 2,158 1,163 1,164 1,165 1,172 10,178 1,180 3,183 14,185 1,188 1,190 1,191 1,192 1,193 5,195 1,196 13,198 2,200 3,205 4,208 8,210 3,213 4,218 6,221 7,223 3,225 2,230 5,233 7,235 3,238 2,243 1,246 5,258 2,276 409,277 12.776,278 12.776,279 12.776,280 12.776,281 12.776,282 10.921,283 10.664,284 7.497,285 12.953,286 10.356,287 10.356,288 10.356,289 10.356,290 10.356,291 7.598,292 12.133,293 3.57,294 10.688,295 3.289,296 1.825,297 1.092,298 0.425,299 0.333,300 0.333,301 3.688,302 1,304 1,305 1,306 1,307 259,308 1.871,312 129.138,316 70.338,319 0.914,320 18.05,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 40.333,332 121,333 4.636,334 3.654,335 6.951,336 4.264,337 3.274,338 4.267,339 1.058,340 11.721,341 3.239,342 4.005,343 3.089,344 5.91,345 3.552,346 2.584,347 3.591,349 8.154,350 2.502,351 3.786,352 2.815,353 5.659,354 3.424,355 2.427,356 3.191,358 7.31,359 2.41,360 3.398,361 2.476,362 4.96,363 2.935,364 2.044,365 2.686,367 5.768,368 1.827,369 3.274,370 2.016,371 4.799,372 2.839,373 1.847,374 2.484,376 5.063,377 1.723,378 2.769,379 1.452,380 3.917,381 2.314,382 1.317,383 1.885,385 3.058,386 1.312,387 2.561,388 1.329,389 3.596,390 2.023,391 1.028,392 1.5,394 2.583,395 1.013,396 2.5,397 1,398 3.247,399 2,400 1,401 1.485,403 2.136,404 1,405 1.55,406 0.841,407 3.112,408 1.169,409 0.19,410 0.235,412 0.446,413 0.177,414 1.267,415 0.291,416 2.813,417 0.96,418 0.034,419 0.041,421 0.091,422 0.029,423 0.704,424 0.106,425 2.368,426 0.262,427 -0.658,428 -0.815,430 -1.616,431 -0.479,432 0.687,433 -0.591,434 2.222,435 0.229,436 -0.744,437 -1.008,439 -1.818,440 -0.745,441 0.5,442 -0.83,443 1.808,445 -1,446 -1.435,448 -2.347,449 -0.987,450 0.493,451 -0.945,452 1.679,453 -0.011,454 -1,455 -1.5,457 -2.841,458 -1,459 0.006,460 -1,461 1.555,462 -0.369,463 -1.287,464 -1.602,466 -3.208,467 -1.098,468 9.348,469 0.492,470 0.507,471 0.027,472 27.25,473 1.434,474 15.5,475 0.816,476 11.75,477 0.618,478 12.05,479 0.634,480 18.852,481 0.628,482 18.292,483 0.963,484 5.546,485 0.292,486 3.619,487 0.19,488 0.155,490 0.374,496 0.729,497 0.856,498 0.568,499 0.653,500 0.706,501 0.671,502 0.509,503 1.082,504 0.618,505 0.898,506 0.54,507 0.887,508 0.825,509 1.011,510 0.934,511 1.004,512 0.804,513 0.984,514 1.085,515 1.057,516 0.87,517 0.954,518 1.087,519 0.975,520 0.92,521 1.178,522 0.762,523 1.043,524 1.032,525 1.017,526 1.399,527 1.091,528 1.139,529 1.086,530 1.507,531 1.129,532 1.35,533 0.846,534 1.7,535 1.226,536 1.223,537 1.205,538 1.108,539 0.609,540 1.518,541 0.969,542 0.895,543 0.992,544 3.5,546 2.222,547 1.563,548 1.6,549 0.674,550 0.423,551 0.099,552 0.02,554 2821,555 9139,556 2.081,557 36.7,559 8,562 3,567 1.613,568 1.932,569 2.717,570 1.096,572 1,574 1,577 48.55,578 1.618,579 3.082,580 3.815,581 4.482,582 4.574,583 4.574,584 2.115,585 3.892,586 4.222,587 2.787,588 476.552,589 7.24,590 4575.7,591 1,592 1,594 1,595 147.207,596 1.462,597 4.171,598 0.167,600 0.074,601 0.049,602 0.055,603 0.024,604 0.021,605 0.011,606 0.01,608 0.411,609 0.83,610 1,611 0.644,612 79.413,613 -0.119,614 0.204,615 -0.014,616 0.148,617 -0.151,618 0.11,619 0.116,620 -0.101,621 0.022,622 -0.048,623 0.043,624 -0.049,625 0.047,626 -0.034,627 -0.082,628 -0.09,629 0.054,630 -0.081,631 -0.148,632 -0.055,633 -0.072,634 -0.04,635 -0.105,636 -0.06,637 0.021,638 -0.192,639 0.055,640 -0.119,641 0.009,642 -0.087,643 -0.141,644 -0.123,645 -0.061,646 -0.091,647 -0.144,648 -0.147,649 -0.029,650 0.044,651 -0.148,652 -0.085,653 -0.009,654 -0.069,655 -0.062,656 0.226,657 0.061,658 0.274,659 -0.021,660 0.319,661 1.95,662 4.899,663 0.842,664 10.294,665 1.009,666 1.108,667 3.236,668 10.472,669 0.738,670 3.091,671 3.434,672 3.738,673 4.043,674 4.344,675 4.357,676 4.419,677 4.443,678 4.357,679 4.111,680 4.105,681 0.707,682 270.73,683 3.091,684 4.635,685 5.501,686 6.399,687 7.291,688 8.196,689 9.098,690 10.006,691 10.911,692 11.82,693 6.7,694 1,700 1,709 8,714 4,716 12,734 1,735 30,737 14,738 2,739 21,741 32,742 15,743 12,744 4,745 8,746 3,748 3,749 4,750 1,762 15,767 2,772 1,776 3,779 1,780 1,783 11,784 3,785 3,786 4,787 1,792 2,797 0.667,798 1,816 3,820 1,829 1,834 1,835 1,836 1,843 2,848 1,851 19,852 1,860 1,873 1,874 3.3,877 1,881 9.833,882 5.31,883 4.139,884 1.654,886 2.587,887 1.389,888 1.041,889 2.952,890 9.234,891 3.401,892 4.025,893 4.625,894 5.223,895 5.824,896 6.023,897 6.389,898 6.699,899 6.899,900 6.891,901 1,902 32,903 6.981,905 3.03,906 7.883,907 13.083,909 10.828,911 2.383,912 45.278,913 0.001,916 94.169,917 99.085,918 50.908,919 39.149,920 25.145,923 99.085,924 158.462,925 50.908,927 50.908,928 75.81,929 32.606,930 15.814,932 94.169,933 39.149,934 94.169,935 149.993,936 25.145,937 39.149,939 94.169,940 25.145,943 50.908,944 96.329,945 41.905,947 94.169,948 76.053,949 138.234,952 94.169,953 23.275,954 75.81,955 18.011,956 97.191,957 94.169,958 76.053,959 138.234,961 0.586,962 0.35,963 0.199,964 0.122,965 16,966 7,967 0.031,968 1,969 1,970 1.125,971 3.026,972 148.013,973 0.125,974 16,975 74.711,981 12.117,982 4.629,983 2.082,985 76.053,986 14.916,991 3.077,993 50.908,994 308.456,995 29,1000 11.899,1004 0.65,1007 30.273,1008 33.226,1009 0.33,1010 0.628,1011 0.777,1012 0.913,1013 0.932,1014 0.932,1015 4.635,1016 1,1017 5.501,1018 2.583,1019 4.111,1020 4.71,1021 1.176,1022 6.354,1023 4.057,1024 5.865,1025 0.19,1026 7.086,1027 2.136,1028 3.761,1029 4.511,1031 7.345,1032 3.655,1033 7.189,1034 0.034,1035 8.775,1036 0.446,1037 5.733,1038 6.918,1039 1.255,1040 10.509,1041 5.648,1042 8.549,1043 -0.658,1044 10.527,1045 0.091,1046 6.196,1047 7.509,1049 12.356,1050 6.085,1051 9.941,1052 -0.744,1053 12.319,1054 -1.616,1055 7.667,1056 9.401,1057 1.338,1058 15.06,1059 7.565,1060 11.357,1061 -1,1062 14.141,1063 -1.818,1064 8.514,1065 10.385,1067 17.269,1068 8.4,1069 12.793,1070 -1,1071 15.984,1072 -2.347,1073 9.792,1074 12.045,1075 1.422,1076 19.816,1077 9.678,1078 3.274,1079 -1.287,1080 17.844,1081 -2.841,1082 10.822,1083 13.241,1085 22.176,1086 10.699,1087 2.584,1088 11.721,1089 19.717,1090 -3.208,1091 12.029,1092 14.787,1093 1.51,1094 24.668,1095 11.902,1096 2.427,1097 8.154,1098 21.602,1099 4.267,1100 13.143,1101 16.099,1103 27.089,1104 13.007,1105 2.044,1106 7.31,1107 23.496,1108 3.591,1109 14.328,1110 17.59,1111 1.599,1112 29.56,1113 14.185,1114 1.847,1115 5.768,1116 25.397,1117 3.191,1118 15.479,1119 18.965,1121 32.005,1122 15.328,1123 1.317,1124 5.063,1125 27.304,1126 2.686,1127 16.659,1128 20.43,1129 1.69,1130 34.47,1131 16.499,1132 1.028,1133 3.058,1134 29.217,1135 2.484,1136 17.828,1137 21.838,1139 36.925,1140 17.659,1141 2799,1142 5116,1143 13.929,1144 22.131,1145 32.1,1146 33.012,1147 32.871,1148 31.638,1149 31.489,1150 42.731,1151 2.117,1152 92.66,1153 30.466,1154 5.495,1155 5.654,1156 6.752,1157 5.303,1158 5.274,1159 7.267,1160 2.117,1161 19.225,1162 5.239,1163 8.6,1164 1.529,1165 1.572,1166 1.565,1167 1.507,1168 1.499,1169 2.035,1170 0.101,1171 4.412,1172 1.451,1173 4.048,1174 4.069,1175 4.071,1176 3.99,1177 7.43,1178 3.991,1179 3.822,1180 3.852,1181 3.825,1182 3.767,1183 5.067,1184 3.758,1185 3.517,1186 3.548,1187 3.599,1188 3.378,1189 4.908,1190 3.392,1191 3.072,1192 3.136,1193 3.17,1194 2.895,1195 4.729,1196 2.907,1197 2.854,1198 2.935,1199 2.962,1200 2.735,1201 4.356,1202 2.715,1203 2.845,1204 2.925,1205 2.687,1206 2.693,1207 3.82,1208 2.693,1209 2.757,1210 2.817,1211 2.601,1212 2.599,1213 3.674,1214 2.588,1215 2.642,1216 2.663,1217 2.563,1218 2.361,1219 3.634,1220 2.396,1221 0.221,1222 0.174,1223 0.331,1224 0.203,1225 0.156,1226 4.636,1227 0.203,1228 3.654,1229 0.05,1230 6.951,1231 0.558,1232 4.264,1233 0.154,1234 3.274,1235 4.267,1236 1.058,1237 11.721,1238 3.239,1239 2.008,1240 1.99,1241 2.078,1242 2.086,1243 1.219,1244 2.085,1245 1.825,1246 1.799,1247 1.933,1248 1.909,1249 1.016,1250 1.923,1251 1.446,1252 1.42,1253 1.552,1254 1.629,1255 0.582,1256 1.614,1257 1.001,1258 0.955,1259 1.181,1260 1.265,1261 0.22,1262 1.242,1263 0.886,1264 0.821,1265 1.179,1266 1.079,1267 0.218,1268 1.107,1269 0.791,1270 0.738,1271 1.095,1272 1.062,1273 0.108,1274 1.102,1275 0.747,1276 0.668,1277 1.036,1278 0.939,1280 0.977,1281 0.535,1282 0.487,1283 0.687,1284 0.76,1286 0.74,1287 3.761,1289 5.094,1291 6.645,1293 8.301,1295 10.013,1298 6.037,1301 5.944,1305 2.756,1314 21.219,1315 48.55,1316 92.452,1317 114.452,1318 134.452,1319 137.207,1320 137.207,1321 28.158,1322 6.646,1323 58.88,1324 58.88,1325 18,1326 12.336,1327 3.907,1328 3.17,1329 27.451,1330 45,1331 46,1332 0.306,1333 134.974,1334 234.06,1335 321.096,1336 5615,1337 3.3,1338 13.405,1339 0.706,1340 0.565,1341 13.905,1342 10.738,1343 9.165,1344 0.436,1345 0.296,1346 5.82,1347 8.695,1348 5.662,1349 4.684,1350 9.453,1351 6.208,1352 8.39,1353 0.28,1354 0.158,1355 8.798,1356 4.735,1357 7.178,1358 0.175,1359 0.081,1360 7.44,1361 3.311,1362 6.011,1363 0.107,1364 0.042,1365 6.23,1366 2.369,1367 5.33,1368 0.07,1369 0.023,1370 5.612,1371 1.736,1372 0.445,1373 59.438,1374 0.268,1375 18.27,1376 0.957,1377 102,1378 287.584,1379 122.814,1380 317.403,1381 425.72,1382 294,1383 122,1384 292.598,1385 137.165,1386 310.428,1387 455.36,1388 293,1389 5.4}
{0 CHEMBL464552,1 1.705,2 13.282,3 3.582,4 12.832,5 146.018,6 7.833,7 0.512,8 4.338,9 4.466,10 3.94,11 3.803,12 5.502,13 3.818,14 4.868,15 5.055,16 4.32,17 4.196,18 6.012,19 4.197,20 5.056,21 5.235,22 4.419,23 4.335,24 6.24,25 4.322,26 5.189,27 5.394,28 4.486,29 4.357,30 6.484,31 4.341,32 5.204,33 5.413,34 4.396,35 4.351,36 6.39,37 4.335,38 5.181,39 5.389,40 4.423,41 4.424,42 6.317,43 4.38,44 5.271,45 5.504,46 4.445,47 4.439,48 6.349,49 4.386,50 5.233,51 5.467,52 4.417,53 4.344,54 6.455,55 4.302,56 0.14,57 1.145,58 13.017,59 5.346,60 11.905,61 7.044,62 0.598,63 1.77,64 26.231,65 8.877,66 38.466,67 12.021,68 0.595,69 2.097,70 31.387,71 11.003,72 54.569,73 14.684,74 1.037,75 2.227,76 38.99,77 12.605,78 120.109,79 17.169,80 1.107,81 2.207,82 40.42,83 10.99,84 114.841,85 14.934,86 0.833,87 2.287,88 37.677,89 12.764,90 82.724,91 17.538,92 0.818,93 2.357,94 42.849,95 13.696,96 73.703,97 20.019,98 1.225,99 2.253,100 42.727,101 12.703,102 110.6,103 18.261,104 64,105 62,106 0.266,107 0.643,108 0.815,109 0.874,110 0.874,111 0.874,112 3.693,113 0.861,114 -3.75,115 -3.71,116 -3.53,119 39.7,121 1,124 4,125 2,142 6,143 3,144 5,147 1,150 1,151 1,158 2,161 1,172 5,174 2,175 7,178 5,180 7,183 5,187 2,188 5,191 1,193 3,196 3,200 10,203 4,204 4,205 5,208 2,212 3,213 8,218 3,221 3,224 3,225 7,228 2,230 7,233 3,237 1,238 5,241 3,243 5,246 3,249 4,250 3,253 5,254 2,255 4,258 4,263 2,264 3,269 2,272 5,276 3005,277 26.273,278 26.273,279 26.273,280 26.273,281 26.273,282 23.417,283 39.545,284 15.139,285 27.026,286 21.102,287 21.102,288 21.102,289 21.102,290 21.102,291 16.47,292 63.795,293 6.997,294 22.185,295 4.383,296 1.967,297 0.865,298 0.486,299 0.486,300 0.486,301 4.393,307 1114,308 4.472,311 181.801,312 318.607,315 315.729,319 1.893,320 49.981,323 0.5,324 0.67,325 0.67,326 0.6,327 0.5,328 0.67,329 1,330 0.66,331 86.5,332 518,333 4.574,334 3.793,335 6.729,336 4.167,337 3.204,338 4.503,339 1.989,340 10.944,341 3.084,342 4.488,343 3.644,344 6.721,345 4.125,346 3.156,347 4.128,348 1.058,349 10.873,350 3.064,351 4.436,352 3.253,353 6.535,354 4.004,355 3.037,356 4.109,357 0.86,358 10.317,359 2.926,360 4.026,361 3.148,362 6.141,363 3.714,364 2.762,365 3.354,366 0.835,367 9.034,368 2.624,369 3.674,370 2.934,371 5.595,372 3.351,373 2.387,374 3.043,375 0.543,376 7.253,377 2.301,378 3.561,379 2.855,380 5.335,381 3.148,382 2.208,383 2.881,384 0.4,385 6.66,386 2.09,387 3.507,388 2.48,389 5.271,390 3.113,391 2.189,392 2.793,393 0.4,394 6.606,395 2.013,396 3.403,397 2.458,398 4.952,399 2.974,400 2.007,401 2.65,403 5.386,404 1.908,405 3.194,406 2.403,407 4.87,408 2.881,409 1.941,410 2.456,412 5.308,413 1.813,414 3.106,415 1.997,416 4.807,417 2.727,418 1.789,419 2.26,421 5.177,422 1.665,423 2.952,424 1.963,425 4.534,426 2.603,427 1.64,428 1.988,430 4.559,431 1.571,432 2.69,433 1.76,434 3.976,435 2.219,436 1.232,437 1.741,439 2.912,440 1.211,441 2.606,442 1.347,443 3.78,444 2.111,445 1.153,446 1.655,448 2.741,449 1.102,450 2.314,451 1.312,452 3.733,453 2.069,454 1.087,455 1.231,457 2.719,458 1.059,459 2.234,460 1.129,461 3.699,462 1.936,463 1,464 1.163,466 2.461,467 0.928,468 17.986,469 0.461,470 1.062,471 0.027,472 52.25,473 1.34,474 25,475 0.641,476 27.25,477 0.699,478 34.987,479 0.897,480 42.614,481 0.627,482 48.504,483 1.244,484 10.734,485 0.275,486 8.048,487 0.206,488 0.164,490 0.406,494 1,496 0.782,497 1.409,498 0.738,499 1.157,500 0.565,501 0.965,502 0.832,503 0.905,504 0.753,505 0.786,506 0.573,507 0.747,508 1.008,509 1.277,510 0.942,511 1.147,512 1.003,513 1.048,514 0.924,515 1.029,516 0.859,517 1.043,518 1.023,519 0.965,520 1.472,521 1.015,522 1.18,523 0.848,524 1.47,525 0.917,526 0.901,527 1.037,528 0.984,529 1.032,530 0.808,531 1.026,532 0.706,533 1.101,534 0.856,535 1.055,536 0.599,537 0.993,538 0.824,539 0.855,540 0.9,541 0.921,542 0.764,543 0.929,544 8.5,545 0.282,546 4.667,547 3.507,548 2.467,549 1.466,550 1.234,551 0.871,552 0.622,553 0.478,554 22951,555 66143,556 2.064,557 42.6,559 22,560 1,562 4,564 2,567 1.798,568 1.902,569 3.673,570 1.504,577 115.929,578 1.705,579 4.121,580 5.223,581 5.602,582 5.602,583 5.602,584 3.097,585 5.01,586 5.259,587 3.86,588 2860.34,589 9.297,590 47506.8,595 413.947,596 1.497,597 5.202,598 0.198,599 0.006,600 0.075,601 0.053,602 0.036,603 0.023,604 0.019,605 0.013,606 0.01,607 0.01,608 0.443,609 0.17,610 0.63,611 1.22,612 216.448,613 -0.087,614 -0.258,615 0.044,616 -0.098,617 -0.053,618 -0.011,619 0.023,620 0.152,621 0.139,622 0.198,623 0.048,624 0.196,625 -0.066,626 -0.194,627 -0.04,628 -0.132,629 -0.066,630 -0.09,631 0.153,632 -0.007,633 0.111,634 -0.058,635 0.133,636 -0.007,637 -0.267,638 0.022,639 -0.19,640 0.081,641 -0.22,642 -0.011,643 -0.015,644 0.023,645 -0.057,646 -0.026,647 -0.012,648 -0.048,649 0.07,650 -0.163,651 0.095,652 -0.071,653 0.048,654 0.005,655 0.199,656 0.131,657 0.098,658 0.031,659 0.135,660 0.032,661 2.326,662 6.565,663 0.615,664 42.312,665 1.015,666 1.14,667 2.52,668 6.348,669 0.658,670 3.784,671 4.143,672 4.454,673 4.771,674 4.97,675 5.142,676 5.323,677 5.517,678 5.591,679 5.759,680 7.897,681 0.64,682 532.64,683 3.784,684 5.352,685 6.225,686 7.128,687 8.019,688 8.928,689 9.825,690 10.736,691 11.637,692 12.55,693 11.8,696 1,700 2,701 3,703 2,708 2,709 7,710 2,711 1,714 9,716 22,723 1,728 2,733 1,734 1,735 68,737 24,738 2,739 43,741 72,742 27,743 18,744 7,745 5,746 1,748 5,749 7,757 1,760 1,762 20,763 7,767 2,772 2,776 2,781 1,783 29,784 11,785 4,786 12,792 8,797 0.6,798 3,810 1,811 1,815 2,816 3,819 2,830 1,839 1,843 3,847 4,849 1,851 39,858 3,860 3,861 1,864 2,873 1,874 4.4,877 2,879 1,881 20.5,882 13.526,883 8.583,884 3.79,886 4.479,887 1.507,888 1.003,889 7.705,890 13.321,891 4.043,892 4.675,893 5.286,894 5.905,895 6.405,896 6.778,897 7.204,898 7.675,899 7.977,900 8.447,901 0.889,902 66,903 14.491,905 6.28,906 7.902,907 27.04,909 21.99,911 2.402,912 93.667,916 294.278,917 155.653,918 110.637,920 61.29,921 14.96,923 155.653,924 355.567,925 125.598,926 36.072,927 27.881,928 65.905,929 94.986,930 98.51,931 30.958,932 282.506,934 294.278,935 266.291,936 76.25,939 285.695,940 84.832,943 87.427,944 145.293,945 33.571,947 309.238,948 171.927,949 155.653,952 294.278,953 53.676,954 108.226,955 70.818,956 109.821,957 294.278,958 186.887,959 155.653,961 0.585,962 0.351,963 0.199,964 0.102,965 30,966 15,967 0.111,968 8,969 2,970 1.167,971 4.658,972 403.715,973 0.167,974 24,975 204.131,981 26.875,982 11.182,983 5.409,984 1.171,985 170.102,986 11.604,987 9.204,988 3.069,991 3.038,993 70.818,994 636.818,995 56,1000 25.216,1004 -0.558,1007 69.029,1008 77.522,1009 0.28,1010 0.677,1011 0.858,1012 0.92,1013 0.92,1014 0.92,1015 5.306,1016 2.007,1017 6.232,1018 6.606,1019 4.828,1020 5.364,1021 2.606,1022 7.091,1023 4.736,1024 6.531,1025 1.941,1026 7.822,1027 5.386,1028 4.511,1029 5.293,1030 1.738,1031 8.074,1032 4.382,1033 7.859,1034 1.789,1035 9.509,1036 5.308,1037 6.469,1038 7.606,1039 3.265,1040 11.197,1041 6.299,1042 9.222,1043 1.64,1044 11.254,1045 5.177,1046 6.957,1047 8.35,1048 3.224,1049 12.997,1050 6.756,1051 10.617,1052 1.232,1053 13.034,1054 4.559,1055 8.401,1056 10.163,1057 4.35,1058 15.638,1059 8.162,1060 12.034,1061 1.153,1062 14.841,1063 2.912,1064 9.251,1065 11.283,1066 4.689,1067 17.773,1068 8.982,1069 13.468,1070 1.087,1071 16.666,1072 2.741,1073 10.502,1074 12.9,1075 5.607,1076 20.245,1077 10.199,1078 3.204,1079 1,1080 18.505,1081 2.719,1082 11.516,1083 14.202,1084 6.118,1085 22.52,1086 11.181,1087 3.156,1088 10.944,1089 20.355,1090 2.461,1091 12.695,1092 15.735,1093 6.929,1094 24.929,1095 12.327,1096 3.037,1097 10.873,1098 22.213,1099 4.503,1100 13.78,1101 17.125,1102 7.524,1103 27.262,1104 13.38,1105 2.762,1106 10.317,1107 24.078,1108 4.128,1109 14.934,1110 18.624,1111 8.278,1112 29.65,1113 14.5,1114 2.387,1115 9.034,1116 25.949,1117 4.109,1118 16.051,1119 20.058,1120 8.915,1121 32.007,1122 15.585,1123 2.208,1124 7.253,1125 27.825,1126 3.354,1127 17.197,1128 21.543,1129 9.639,1130 34.388,1131 16.697,1132 2.189,1133 6.66,1134 29.704,1135 3.043,1136 18.33,1137 22.999,1138 10.3,1139 36.757,1140 17.796,1141 21947,1142 37481,1143 28.263,1144 44.722,1145 65.002,1146 67.743,1147 68.376,1148 64.527,1149 64.522,1150 83.503,1151 12.168,1152 192.409,1153 61.417,1154 5.497,1155 5.793,1156 6.271,1157 5.247,1158 5.204,1159 7.503,1160 3.465,1161 18.074,1162 5.084,1163 23.092,1164 1.512,1165 1.575,1166 1.59,1167 1.501,1168 1.501,1169 1.942,1170 0.283,1171 4.475,1172 1.428,1173 4.121,1174 4.166,1175 4.091,1176 3.984,1177 8.201,1178 4.004,1179 4.007,1180 4.04,1181 3.963,1182 3.904,1183 7.43,1184 3.915,1185 3.925,1186 3.952,1187 3.892,1188 3.83,1189 7.426,1190 3.84,1191 3.68,1192 3.746,1193 3.589,1194 3.456,1195 5.128,1196 3.48,1197 3.501,1198 3.572,1199 3.391,1200 3.293,1201 4.847,1202 3.304,1203 3.464,1204 3.542,1205 3.353,1206 3.201,1207 4.637,1208 3.227,1209 3.347,1210 3.416,1211 3.264,1212 3.1,1213 4.488,1214 3.134,1215 3.187,1216 3.262,1217 3.067,1218 2.954,1219 4.417,1220 2.965,1221 0.106,1222 0.088,1223 0.156,1224 0.097,1225 0.075,1226 4.574,1227 0.105,1228 3.793,1229 0.046,1230 6.729,1231 0.255,1232 4.167,1233 0.072,1234 3.204,1235 4.503,1236 1.989,1237 10.944,1238 3.084,1239 1.927,1240 1.901,1241 1.995,1242 2.069,1243 1.186,1244 2.042,1245 1.889,1246 1.87,1247 1.967,1248 1.999,1249 1.098,1250 1.987,1251 1.764,1252 1.732,1253 1.863,1254 1.919,1255 1.053,1256 1.896,1257 1.637,1258 1.571,1259 1.812,1260 1.881,1261 0.943,1262 1.875,1263 1.468,1264 1.399,1265 1.717,1266 1.7,1267 0.912,1268 1.704,1269 1.449,1270 1.368,1271 1.68,1272 1.69,1273 0.68,1274 1.691,1275 1.385,1276 1.307,1277 1.636,1278 1.675,1279 0.605,1280 1.677,1281 1.225,1282 1.164,1283 1.57,1284 1.525,1285 0.586,1286 1.539,1287 4.466,1289 5.814,1290 3.045,1291 7.351,1292 5.352,1293 8.981,1294 7.424,1295 10.664,1297 6.728,1299 14.565,1303 1.619,1305 8.771,1306 5.63,1309 3.608,1314 43.494,1315 115.929,1316 280.218,1317 355.153,1318 380.928,1319 380.928,1320 380.928,1321 86.299,1322 8.841,1323 127.51,1324 127.51,1325 28,1326 13.065,1327 4.644,1328 3.807,1329 61.241,1330 185,1331 188,1332 0.16,1333 265.209,1334 459.02,1335 638.87,1336 99485,1337 1.5,1338 27.681,1339 0.71,1340 0.565,1341 26.811,1342 22.054,1343 18.782,1344 0.437,1345 0.287,1346 12.077,1347 17.78,1348 11.718,1349 9.768,1350 18.372,1351 12.345,1352 17.227,1353 0.278,1354 0.151,1355 16.689,1356 9.342,1357 14.546,1358 0.171,1359 0.076,1360 14.152,1361 6.432,1362 12.892,1363 0.11,1364 0.039,1365 12.348,1366 4.621,1367 9.732,1368 0.068,1369 0.021,1370 9.538,1371 2.958,1372 0.25,1373 119.794,1374 0.188,1375 34.742,1376 0.441,1377 210,1378 705.23,1379 236.902,1380 650.689,1381 883.83,1382 608,1383 252,1384 650.602,1385 279.76,1386 653.549,1387 962.02,1388 611,1389 5}
{0 CHEMBL465465,1 1.988,2 13.788,3 4.826,4 23.294,5 125.975,6 11.576,7 0.514,8 4.047,9 4.126,10 4.072,11 3.703,12 5.319,13 3.653,14 4.551,15 4.663,16 4.451,17 4.082,18 6.068,19 4.024,20 4.835,21 4.978,22 4.561,23 4.212,24 6.357,25 4.138,26 4.913,27 5.097,28 4.538,29 4.109,30 6.362,31 4.062,32 4.85,33 5.045,34 4.312,35 3.993,36 6.361,37 3.975,38 4.772,39 4.944,40 4.338,41 3.981,42 6.444,43 3.953,44 4.743,45 4.908,46 4.386,47 3.943,48 6.465,49 3.903,50 4.632,51 4.816,52 4.532,53 3.913,54 6.042,55 3.806,56 0.26,57 0.92,58 3.034,59 5.242,60 49.065,61 4.558,62 0.614,63 1.472,64 11.262,65 9.119,66 113.122,67 8.389,68 1.058,69 2.073,70 31.449,71 13.192,72 172.623,73 11.271,74 1.244,75 2.084,76 36.974,77 13.809,78 180.424,79 11.8,80 1.342,81 1.865,82 25.337,83 11.43,84 239.333,85 11.341,86 1.372,87 1.963,88 30.48,89 11.821,90 239.77,91 10.581,92 1.471,93 1.86,94 18.441,95 10.91,96 252.958,97 8.87,98 0.993,99 1.532,100 27.971,101 11.751,102 171.956,103 8.841,104 86,105 51,106 0.33,107 0.658,108 0.781,109 0.868,110 0.881,111 0.881,112 3.531,113 1.063,114 -5.41,115 -5.29,116 -4.94,119 43.1,124 1,125 2,142 8,143 3,144 7,158 1,167 1,170 1,172 7,173 1,174 1,175 1,178 1,180 5,183 8,184 1,188 5,193 7,194 1,196 4,197 1,200 5,203 1,204 1,205 5,208 2,213 2,218 1,219 1,221 6,222 1,225 1,228 1,229 2,230 1,233 8,234 2,238 2,241 2,243 2,246 7,247 1,250 1,255 3,258 3,259 3,264 5,269 7,272 1,273 2,276 2026,277 21.04,278 21.04,279 21.04,280 21.04,281 21.04,282 18.185,283 25.752,284 11.977,285 21.755,286 17.188,287 17.188,288 17.188,289 17.188,290 17.188,291 12.867,292 33.052,293 5.635,294 18.558,295 3.685,296 1.709,297 0.971,298 0.446,299 0.368,300 0.368,301 4.204,307 947,308 4.243,312 380.332,319 2.279,320 74.272,323 0.5,324 0.83,325 0.83,326 0.5,328 0.83,329 1,330 0.64,331 74.9,332 455,333 4.801,334 5.18,335 7.111,336 4.19,337 3.313,338 4.66,339 2.95,340 11.657,341 3.108,342 4.584,343 3.678,344 6.804,345 4.179,346 3.225,347 4.309,348 1.437,349 11.107,350 2.845,351 4.22,352 3.408,353 6.104,354 3.777,355 2.839,356 3.872,357 0.759,358 8.799,359 2.645,360 3.899,361 3.202,362 6.006,363 3.536,364 2.563,365 3.429,366 0.4,367 8.296,368 2.477,369 3.874,370 2.824,371 5.477,372 3.471,373 2.488,374 3.272,375 0.359,376 7.013,377 2.427,378 3.553,379 2.709,380 5.352,381 3.165,382 2.226,383 2.858,385 6.732,386 2.08,387 3.404,388 2.587,389 4.958,390 2.907,391 2.06,392 2.7,394 5.78,395 1.606,396 3.119,397 2.519,398 4.586,399 2.632,400 1.669,401 2.331,403 4.72,404 1.541,405 2.911,406 2.274,407 4.47,408 2.474,409 1.533,410 2.005,412 4.045,413 1.388,414 2.809,415 1.868,416 4.128,417 2.334,418 1.37,419 1.892,421 3.515,422 1.299,423 2.5,424 1.725,425 3.584,426 2.079,427 1.14,428 1.5,430 2.615,431 1.062,432 2.322,433 1.316,434 3.414,435 2,436 1,437 1.296,439 2.275,440 1,441 1.807,442 1.029,443 3.33,444 1.488,445 0.57,446 0.674,448 1.448,449 0.477,450 1.559,451 1,452 3.126,453 1.252,454 0.39,455 0.432,457 0.925,458 0.32,459 1.31,460 0.832,461 2.855,462 0.922,463 0.054,464 0.065,466 0.132,467 0.033,468 16.467,469 0.499,470 1.204,471 0.036,472 43.25,473 1.311,474 23,475 0.697,476 20.25,477 0.614,478 29.871,479 0.905,480 35.733,481 0.701,482 37.552,483 1.138,484 8.564,485 0.26,486 6.904,487 0.209,488 0.263,489 0.051,490 0.334,494 3,496 0.595,497 0.879,498 0.504,499 0.71,500 0.631,501 0.766,502 0.622,503 0.962,504 0.608,505 0.768,506 0.555,507 0.857,508 0.845,509 1.04,510 0.924,511 0.993,512 0.857,513 1.091,514 1.074,515 1.079,516 0.662,517 0.842,518 1.061,519 1.023,520 1.033,521 1.013,522 0.292,523 0.537,524 1.03,525 0.854,526 1.023,527 1.115,528 0.564,529 0.735,530 1.001,531 0.907,532 1.255,533 1.087,534 0.562,535 0.645,536 1.226,537 0.908,538 1.303,539 1.035,540 1.024,541 0.937,542 1.239,543 0.911,544 9,545 0.227,546 4.889,547 2.625,548 2.431,549 1.618,550 0.954,551 0.672,552 0.501,553 0.299,554 15237,555 65375,556 1.935,557 35.3,559 15,562 3,567 1.75,568 1.744,569 3.672,570 0.922,575 1,577 101.373,578 1.988,579 3.963,580 4.702,581 5.226,582 5.305,583 5.305,584 3.241,585 4.718,586 5.012,587 3.923,588 2071.2,589 8.769,590 31744.4,595 289.294,596 1.723,597 4.925,598 0.257,599 0.008,600 0.096,601 0.049,602 0.051,603 0.036,604 0.021,605 0.016,606 0.014,607 0.01,608 0.557,609 0.17,610 0.88,611 0.909,612 177.161,613 -0.029,614 0.014,615 0.006,616 0.018,617 -0.089,618 0.064,619 0.053,620 -0.078,621 -0.004,622 -0.004,623 0.117,624 0.017,625 0.015,626 -0.077,627 -0.067,628 -0.102,629 0.004,630 -0.168,631 -0.089,632 -0.071,633 -0.004,634 -0.076,635 -0.111,636 -0.095,637 -0.007,638 -0.022,639 0.045,640 0.033,641 -0.029,642 0.064,643 0.107,644 0.022,645 -0.014,646 -0.009,647 0.092,648 0.011,649 -0.013,650 0.074,651 -0.002,652 0.076,653 -0.001,654 -0.03,655 -0.25,656 -0.04,657 0.033,658 0.082,659 -0.205,660 0.09,661 4.252,662 6.777,663 0.545,664 38.77,665 1.04,666 1.13,667 4.18,668 17.472,669 0.737,670 3.584,671 3.951,672 4.159,673 4.344,674 4.575,675 4.654,676 4.644,677 4.635,678 4.745,679 4.82,680 8.033,681 0.702,682 590.39,683 3.584,684 5.153,685 5.994,686 6.88,687 7.742,688 8.629,689 9.498,690 10.386,691 11.259,692 12.148,693 3.9,695 1,701 1,709 8,714 10,716 18,725 1,728 1,734 4,735 51,737 21,738 3,739 35,741 53,742 22,743 18,744 10,745 8,746 1,748 3,749 3,762 19,763 3,767 3,770 1,772 3,776 1,781 3,783 18,784 9,785 3,786 11,787 2,788 1,792 2,797 1,798 4,816 3,838 1,841 1,843 3,845 1,847 1,849 3,850 1,851 33,854 1,857 1,858 2,860 2,873 4,874 7.8,876 1,877 3,881 18.917,882 9.355,883 7.083,884 2.665,886 3.227,887 1.429,888 0.986,889 7.927,890 10.748,891 3.871,892 4.538,893 5.026,894 5.527,895 6.061,896 6.274,897 6.446,898 6.576,899 6.953,900 7.313,901 1,902 54,903 12.646,905 5.935,906 8.481,907 22.116,909 18.154,911 2.981,912 98.37,916 176.567,917 196.593,918 36.022,920 112.141,921 44.88,922 62.828,923 133.765,924 288.708,925 80.902,926 7.19,927 4.211,928 99.867,929 113.051,930 63.654,931 44.88,932 233.349,934 176.567,935 169.787,936 157.022,937 6.046,938 56.782,939 221.447,940 112.141,943 40.233,944 129.554,945 6.046,946 56.782,947 221.447,948 148.163,949 139.811,950 56.782,951 6.046,952 176.567,953 50.765,954 139.782,955 36.022,956 157.022,957 176.567,958 193.043,959 139.811,960 56.782,961 0.601,962 0.34,963 0.164,964 0.092,965 23,966 13,967 0.151,968 8,970 1,971 4.224,972 294.006,974 18,975 160.465,980 1,981 25.339,982 10.324,983 6.191,985 193.043,986 10.98,991 -3.7,993 78.705,994 566.203,995 47,998 -3.335,1000 34.699,1004 -1.514,1007 53.032,1008 57.646,1009 0.35,1010 0.699,1011 0.829,1012 0.921,1013 0.935,1014 0.935,1015 5.133,1016 1.669,1017 6.043,1018 5.78,1019 4.635,1020 5.226,1021 3.189,1022 6.897,1023 4.49,1024 6.403,1025 1.533,1026 7.65,1027 4.72,1028 4.511,1029 5.394,1031 8.054,1032 4.208,1033 7.767,1034 1.37,1035 9.364,1036 4.045,1037 6.326,1038 7.554,1039 5.086,1040 11.065,1041 6.047,1042 9.168,1043 1.14,1044 11.14,1045 3.515,1046 6.948,1047 8.468,1049 12.987,1050 6.507,1051 10.6,1052 1,1053 12.954,1054 2.615,1055 8.33,1056 10.207,1057 7.198,1058 15.602,1059 7.892,1060 12.052,1061 0.57,1062 14.795,1063 2.275,1064 9.263,1065 11.439,1067 17.825,1068 8.679,1069 13.522,1070 0.39,1071 16.656,1072 1.448,1073 10.5,1074 13.031,1075 9.351,1076 20.318,1077 9.887,1078 3.313,1079 0.054,1080 18.532,1081 0.925,1082 11.568,1083 14.408,1085 22.664,1086 10.831,1087 3.225,1088 11.657,1089 20.42,1090 0.132,1091 12.757,1092 15.947,1093 11.512,1094 25.117,1095 11.967,1096 2.839,1097 11.107,1098 22.318,1099 4.66,1100 13.884,1101 17.393,1103 27.515,1104 12.989,1105 2.563,1106 8.799,1107 24.223,1108 4.309,1109 15.06,1110 18.913,1111 13.675,1112 29.956,1113 14.1,1114 2.488,1115 8.296,1116 26.136,1117 3.872,1118 16.215,1119 20.395,1121 32.377,1122 15.163,1123 2.226,1124 7.013,1125 28.054,1126 3.429,1127 17.39,1128 21.91,1129 15.838,1130 34.815,1131 16.266,1132 2.06,1133 6.732,1134 29.977,1135 3.272,1136 18.559,1137 23.41,1139 37.247,1140 17.352,1141 15071,1142 31404,1143 21.789,1144 37.563,1145 53.126,1146 56.973,1147 55.304,1148 53.212,1149 52.884,1150 70.59,1151 11.808,1152 158.117,1153 48.617,1154 5.675,1155 7.18,1156 6.648,1157 5.228,1158 5.313,1159 7.66,1160 5.9,1161 19.232,1162 5.108,1163 23.309,1164 1.518,1165 1.628,1166 1.58,1167 1.52,1168 1.511,1169 2.017,1170 0.337,1171 4.518,1172 1.389,1173 4.087,1174 4.077,1175 10.695,1176 4.098,1177 8.239,1178 4.002,1179 4.003,1180 4.011,1181 4.735,1182 4.023,1183 8.201,1184 3.926,1185 3.86,1186 3.881,1187 3.986,1188 3.875,1189 8.161,1190 3.808,1191 3.705,1192 3.707,1193 3.77,1194 3.642,1195 7.716,1196 3.573,1197 3.412,1198 3.461,1199 3.74,1200 3.372,1201 7.475,1202 3.224,1203 3.261,1204 3.264,1205 3.345,1206 3.185,1207 6.999,1208 3.036,1209 3.067,1210 3.133,1211 3.205,1212 2.978,1213 6.351,1214 2.942,1215 2.904,1216 2.96,1217 2.914,1218 2.822,1219 4.711,1220 2.762,1221 0.137,1222 0.148,1223 0.203,1224 0.12,1225 0.095,1226 4.801,1227 0.133,1228 5.18,1229 0.084,1230 7.111,1231 0.333,1232 4.19,1233 0.089,1234 3.313,1235 4.66,1236 2.95,1237 11.657,1238 3.108,1239 1.988,1240 1.996,1241 2.035,1242 2.066,1243 1.255,1244 2.09,1245 1.939,1246 1.923,1247 1.98,1248 2.028,1249 1.173,1250 2.032,1251 1.835,1252 1.818,1253 1.887,1254 1.91,1255 1.054,1256 1.919,1257 1.603,1258 1.61,1259 1.632,1260 1.744,1261 0.943,1262 1.79,1263 1.338,1264 1.285,1265 1.543,1266 1.569,1267 0.701,1268 1.577,1269 1.076,1270 1.067,1271 1.295,1272 1.404,1273 0.501,1274 1.325,1275 1.024,1276 0.97,1277 1.181,1278 1.234,1279 0.218,1280 1.248,1281 0.886,1282 0.821,1283 1.129,1284 1.068,1285 0.208,1286 1.107,1287 4.263,1289 5.617,1291 7.152,1293 8.772,1295 10.437,1297 1.086,1299 43.574,1300 1.879,1302 9.498,1303 -0.004,1305 5.206,1314 35.824,1315 101.373,1316 202.132,1317 239.784,1318 266.539,1319 270.539,1320 270.539,1321 134.933,1322 7.521,1323 95.5,1324 103.88,1325 18,1326 12.681,1327 4.459,1328 3.7,1329 64.484,1330 158,1331 153,1332 0.197,1333 232.232,1334 412.14,1335 558.405,1336 19139,1337 7.8,1338 24.336,1339 0.737,1340 0.609,1341 23.475,1342 20.099,1343 15.468,1344 0.442,1345 0.354,1346 9.491,1347 13.278,1348 9.058,1349 7.457,1350 15.98,1351 12.4,1352 15.192,1353 0.298,1354 0.204,1355 16.335,1356 10.422,1357 11.672,1358 0.185,1359 0.103,1360 11.703,1361 6.499,1362 8.899,1363 0.117,1364 0.054,1365 8.752,1366 4.103,1367 7.041,1368 0.073,1369 0.029,1370 7.406,1371 2.781,1372 0.316,1373 120.982,1374 0.214,1375 31.029,1376 0.524,1377 172,1378 764.864,1379 377.231,1380 718.388,1381 908.38,1382 654,1383 200,1384 570.081,1385 309.321,1386 607.684,1387 880.84,1388 565,1389 4.523}
{0 CHEMBL468280,1 2.023,2 6.211,3 3.229,4 10.428,5 66.431,6 10.469,7 0.524,8 3.488,9 3.554,10 3.312,11 3.022,12 4.835,13 3.067,14 3.976,15 4.083,16 3.76,17 3.421,18 5.351,19 3.466,20 4.2,21 4.325,22 3.953,23 3.527,24 5.698,25 3.585,26 4.225,27 4.329,28 3.871,29 3.511,30 5.817,31 3.552,32 4.199,33 4.343,34 3.696,35 3.412,36 5.696,37 3.405,38 4.102,39 4.256,40 3.513,41 3.091,42 5.582,43 3.081,44 3.646,45 3.832,46 2.955,47 2.311,48 5.473,49 2.319,50 2.538,51 2.828,52 1.719,53 1.101,54 4.148,55 1.099,56 0.247,57 0.452,58 2.073,59 2.277,60 25.526,61 1.912,62 0.46,63 0.731,64 5.74,65 3.822,66 44.608,67 3.623,68 0.703,69 0.848,70 11.611,71 4.84,72 75.309,73 4.326,74 0.753,75 0.839,76 8.14,77 4.745,78 87.348,79 4.11,80 0.751,81 0.771,82 8.921,83 5.103,84 95.436,85 4.72,86 0.842,87 0.582,88 14.96,89 5.051,90 95.12,91 4.324,92 0.865,93 0.401,94 15.139,95 3.321,96 113.478,97 2.762,98 0.3,99 0.159,100 5.778,101 1.19,102 44.236,103 1.112,104 27,105 32,106 0.393,107 0.797,108 0.86,109 0.875,110 0.875,111 0.875,112 3.014,113 0.846,114 -4.4,115 -4.33,116 -4.09,119 44.4,120 1,125 1,142 2,143 2,144 3,147 1,153 1,157 1,166 1,172 1,174 1,175 8,178 1,180 1,183 3,187 1,188 2,191 1,196 3,199 3,200 6,203 2,205 1,208 5,213 4,218 1,221 1,225 3,230 2,233 2,238 1,255 1,276 294,277 12.577,278 12.577,279 12.577,280 12.577,281 12.577,282 11.094,283 16.893,284 6.944,285 12.918,286 10.228,287 10.228,288 10.228,289 10.228,290 10.228,291 7.896,292 25.798,293 3.142,294 10.843,295 2.732,296 0.652,297 0.324,298 0.25,299 0.25,300 0.25,301 3.681,302 1,305 1,306 1,307 251,308 2.345,311 30.046,312 66.913,315 52.217,316 57.278,319 0.875,320 35.345,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 43.833,332 118,333 4.701,334 3.756,335 7.108,336 4.365,337 3.39,338 4.37,339 0.8,340 12.302,341 3.312,342 4.239,343 3.289,344 6.336,345 3.783,346 2.84,347 3.923,349 9.496,350 2.679,351 3.748,352 3.075,353 6.024,354 3.421,355 2.483,356 3.143,358 8.343,359 2.34,360 3.656,361 2.752,362 5.758,363 3.297,364 2.348,365 2.855,367 7.467,368 2.13,369 3.036,370 2.148,371 4.87,372 2.617,373 1.663,374 2.206,376 4.926,377 1.574,378 2.824,379 2.064,380 4.334,381 2.34,382 1.405,383 1.925,385 3.864,386 1.27,387 2.412,388 1.447,389 4.019,390 2.063,391 1.121,392 1.386,394 2.76,395 1.049,396 2.15,397 1.036,398 3.654,399 1.702,400 0.71,401 0.944,403 1.654,404 0.683,405 1.533,406 0.916,407 3.014,408 1.148,409 0.227,410 0.285,412 0.524,413 0.189,414 1.068,415 0.294,416 2.656,417 0.831,418 -0.08,419 -0.089,421 -0.142,422 -0.069,423 0.799,424 0.018,425 2.491,426 0.339,427 -0.584,428 -0.698,430 -1.396,431 -0.475,432 0.572,433 -0.26,434 2.113,435 0.249,436 -0.668,437 -0.847,439 -1.743,440 -0.587,441 0.185,442 -0.612,443 2,444 -0.188,445 -1.071,446 -1.287,448 -2.823,449 -0.909,450 0.051,451 -0.913,452 2,453 -0.323,454 -1.291,455 -1.573,457 -3.424,458 -1.132,459 -0.171,460 -1.089,461 1.488,462 -0.585,463 -1.404,464 -1.744,466 -4.042,467 -1.266,468 8.8,469 0.463,470 0.631,471 0.033,472 25.5,473 1.342,474 12.5,475 0.658,476 13,477 0.684,478 13.625,479 0.717,480 20.6,481 0.763,482 18.158,483 0.956,484 5.096,485 0.268,486 3.945,487 0.208,488 0.246,490 0.5,494 1,496 0.688,497 0.994,498 0.5,499 0.835,500 0.641,501 0.751,502 0.633,503 0.992,504 0.495,505 0.788,506 0.557,507 0.682,508 0.869,509 1.017,510 0.74,511 0.86,512 0.832,513 0.711,514 0.774,515 0.992,516 0.843,517 1.071,518 0.872,519 1.098,520 0.864,521 0.915,522 0.889,523 1.079,524 0.795,525 1.215,526 1.359,527 1.062,528 1.459,529 1.295,530 1.182,531 1.349,532 1.72,533 0.983,534 2.03,535 1.019,536 2.065,537 1.128,538 2.344,539 1.331,540 1.497,541 0.523,542 2.851,543 0.6,544 4,546 3.111,547 2,548 2.116,549 0.962,550 0.41,551 0.141,554 2594,555 11563,556 2.019,557 29.6,559 4,562 1,564 3,567 1.614,568 1.81,569 2.651,570 -0.146,574 1,577 54.608,578 2.023,579 4.103,580 4.431,581 4.505,582 4.505,583 4.505,584 2.089,585 3.511,586 4.223,587 2.713,588 463.884,589 7.247,590 4370.18,592 1,594 1,595 128.382,596 1.524,597 4.135,598 0.19,600 0.097,601 0.056,602 0.064,603 0.038,604 0.026,605 0.02,608 0.492,609 0.5,610 1,611 0.954,612 78.535,613 -0.04,614 -0.059,615 -0.006,616 0.026,617 -0.072,618 0.025,619 0.045,620 -0.058,621 0.145,622 0.093,623 0.05,624 0.185,625 -0.026,626 -0.016,627 0.111,628 0.059,629 0.012,630 0.189,631 0.081,632 -0.067,633 -0.12,634 -0.188,635 0.03,636 -0.256,637 -0.006,638 -0.055,639 -0.04,640 -0.143,641 0.042,642 -0.226,643 -0.248,644 -0.308,645 -0.149,646 -0.254,647 -0.162,648 -0.256,649 -0.003,650 0.256,651 -0.26,652 0.167,653 -0.161,654 0.051,655 -0.31,656 0.759,657 0.275,658 0.78,659 -0.459,660 0.835,661 2.357,662 5.509,663 0.684,664 9.873,665 1.058,666 1.132,667 3.172,668 10.065,669 0.712,670 3.091,671 3.497,672 3.871,673 4.205,674 4.477,675 4.625,676 4.7,677 4.754,678 4.7,679 4.431,680 3.906,681 0.722,682 282.67,683 3.091,684 4.673,685 5.58,686 6.512,687 7.44,688 8.377,689 9.31,690 10.248,691 11.184,692 12.123,693 7.4,701 1,703 1,709 2,710 1,712 1,714 7,716 11,721 1,730 1,732 1,734 2,735 27,737 12,738 1,739 21,741 29,742 12,743 9,744 4,745 2,746 1,748 3,749 6,750 1,754 1,762 10,763 2,767 1,772 1,776 1,780 1,781 1,783 8,784 6,785 1,786 7,787 1,791 1,792 2,797 0.333,798 3,815 1,816 2,819 1,820 1,843 1,847 1,848 1,849 1,851 19,857 1,858 1,864 1,873 2,874 11.1,876 1,877 1,879 1,881 10.5,882 5.386,883 4.139,884 1.696,886 2.292,887 1.335,888 0.968,889 2.763,890 9.128,891 3.35,892 4.021,893 4.679,894 5.294,895 5.781,896 6.141,897 6.478,898 6.821,899 7.112,900 7.198,901 1,902 36,903 7.058,905 3.241,906 8.365,907 12.587,909 10.476,911 2.865,912 54.444,916 82.398,917 60.32,918 22.721,919 39.149,920 77.562,921 14.96,923 60.32,924 199.109,925 37.681,926 8.825,927 2.106,928 18.952,929 92.558,930 35.833,931 17.288,932 82.398,933 39.149,934 82.398,935 83.04,936 92.523,937 39.149,939 62.045,940 112.876,943 15.28,944 48.163,945 58.745,947 97.358,948 100.283,949 99.468,952 82.398,953 32.542,954 30.902,956 151.268,957 82.398,958 115.243,959 99.468,961 0.602,962 0.387,963 0.217,964 0.123,965 18,966 9,967 0.034,968 1,969 2,970 1.308,971 2.901,972 154.141,973 0.308,974 13,975 80.711,981 12.449,982 4.217,983 1.654,985 115.243,986 2.417,987 3.653,989 4.628,991 -0.629,993 42.683,994 297.109,995 27.5,1000 12.218,1004 -0.538,1007 28.556,1008 30.569,1009 0.425,1010 0.863,1011 0.932,1012 0.947,1013 0.947,1014 0.947,1015 4.632,1016 0.71,1017 5.624,1018 2.76,1019 4.174,1020 4.705,1021 0.673,1022 6.555,1023 4.072,1024 5.889,1025 0.227,1026 7.268,1027 1.654,1028 4.007,1029 4.732,1030 0.325,1031 7.678,1032 3.834,1033 7.245,1034 -0.08,1035 9.009,1036 0.524,1037 5.889,1038 6.978,1039 0.379,1040 10.847,1041 5.718,1042 8.637,1043 -0.584,1044 10.803,1045 -0.142,1046 6.509,1047 7.795,1048 0.268,1049 12.76,1050 6.289,1051 10.059,1052 -0.668,1053 12.631,1054 -1.396,1055 7.92,1056 9.552,1057 0.239,1058 15.479,1059 7.697,1060 11.503,1061 -1.071,1062 14.482,1063 -1.743,1064 8.874,1065 10.713,1066 0.188,1067 17.725,1068 8.621,1069 12.964,1070 -1.291,1071 16.35,1072 -2.823,1073 10.131,1074 12.287,1075 0.156,1076 20.297,1077 9.869,1078 3.39,1079 -1.404,1080 18.23,1081 -3.424,1082 11.227,1083 13.605,1084 0.125,1085 22.689,1086 10.944,1087 2.84,1088 12.302,1089 20.121,1090 -4.042,1091 12.439,1092 15.107,1093 0.102,1094 25.213,1095 12.143,1096 2.483,1097 9.496,1098 22.021,1099 4.37,1100 13.597,1101 16.498,1102 0.082,1103 27.669,1104 13.284,1105 2.348,1106 8.343,1107 23.929,1108 3.923,1109 14.8,1110 17.972,1111 0.066,1112 30.18,1113 14.471,1114 1.663,1115 7.467,1116 25.843,1117 3.143,1118 15.987,1119 19.398,1120 0.054,1121 32.664,1122 15.64,1123 1.405,1124 4.926,1125 27.762,1126 2.855,1127 17.191,1128 20.863,1129 0.043,1130 35.171,1131 16.828,1132 1.121,1133 3.864,1134 29.687,1135 2.206,1136 18.392,1137 22.307,1138 0.035,1139 37.668,1140 18.01,1141 2644,1142 5680,1143 13.353,1144 19.216,1145 33.026,1146 34.513,1147 35.444,1148 32.586,1149 32.374,1150 42.074,1151 1.6,1152 102.672,1153 30.45,1154 5.571,1155 5.756,1156 6.612,1157 5.413,1158 5.39,1159 7.37,1160 1.2,1161 20.302,1162 5.312,1163 11.135,1164 1.573,1165 1.643,1166 1.688,1167 1.552,1168 1.542,1169 2.004,1170 0.076,1171 4.889,1172 1.45,1173 4.064,1174 4.079,1175 4.101,1176 3.952,1177 8.201,1178 3.968,1179 3.736,1180 3.742,1181 3.843,1182 3.572,1183 7.427,1184 3.603,1185 3.462,1186 3.539,1187 3.37,1188 3.268,1189 6.482,1190 3.259,1191 3.122,1192 3.102,1193 3.278,1194 2.912,1195 5.084,1196 2.942,1197 2.926,1198 2.986,1199 2.894,1200 2.73,1201 4.835,1202 2.744,1203 2.669,1204 2.722,1205 2.807,1206 2.39,1207 4.299,1208 2.424,1209 2.51,1210 2.536,1211 2.504,1212 2.18,1213 4.008,1214 2.237,1215 2.35,1216 2.435,1217 2.162,1218 1.971,1219 3.557,1220 1.965,1221 0.224,1222 0.179,1223 0.338,1224 0.208,1225 0.161,1226 4.701,1227 0.208,1228 3.756,1229 0.038,1230 7.108,1231 0.586,1232 4.365,1233 0.158,1234 3.39,1235 4.37,1236 0.8,1237 12.302,1238 3.312,1239 1.945,1240 1.931,1241 1.992,1242 2.048,1243 1.185,1244 2.034,1245 1.523,1246 1.483,1247 1.78,1248 1.716,1249 0.94,1250 1.739,1251 1.402,1252 1.368,1253 1.459,1254 1.604,1255 0.6,1256 1.546,1257 1.024,1258 1.005,1259 1.161,1260 1.446,1261 0.225,1262 1.358,1263 0.893,1264 0.867,1265 1.053,1266 1.111,1267 0.102,1268 1.104,1269 0.688,1270 0.669,1271 0.922,1272 0.941,1274 0.872,1275 0.483,1276 0.405,1277 0.699,1278 0.823,1280 0.867,1281 0.226,1282 0.163,1283 0.455,1284 0.591,1286 0.562,1287 3.761,1289 5.142,1290 2.398,1291 6.735,1292 4.727,1293 8.433,1294 6.843,1295 10.19,1297 1.826,1298 5.742,1299 13.509,1302 9.533,1303 0.46,1309 1.626,1314 19.505,1315 54.608,1316 110.772,1317 119.627,1318 121.627,1319 121.627,1320 121.627,1321 42.902,1322 6.836,1323 68.26,1324 68.26,1325 17,1326 12.619,1327 3.7,1328 2.907,1329 27.448,1330 48,1331 35,1332 0.327,1333 121.242,1334 211.09,1335 287.591,1336 6696,1337 7.4,1338 13.732,1339 0.723,1340 0.554,1341 13.361,1342 10.532,1343 9.041,1344 0.431,1345 0.282,1346 5.452,1347 8.228,1348 5.338,1349 4.365,1350 8.919,1351 5.919,1352 8.481,1353 0.265,1354 0.139,1355 8.381,1356 4.45,1357 7.77,1358 0.165,1359 0.071,1360 7.44,1361 3.319,1362 6.648,1363 0.101,1364 0.035,1365 6.691,1366 2.325,1367 5.471,1368 0.063,1369 0.019,1370 5.445,1371 1.625,1372 0.47,1373 61.341,1374 0.274,1375 17.961,1376 1.046,1377 106,1378 451.225,1379 137.845,1380 429.778,1381 563.31,1382 396,1383 132,1384 394.407,1385 162.084,1386 393.437,1387 586.41,1388 370,1389 5.1}
{0 CHEMBL474432,1 1.925,2 11.818,3 5.287,4 27.951,5 114.465,6 9.57,7 0.583,8 4.065,9 4.133,10 3.851,11 3.591,12 5.353,13 3.617,14 4.59,15 4.698,16 4.316,17 3.959,18 6.286,19 3.986,20 4.668,21 4.766,22 4.374,23 4.058,24 6.007,25 4.074,26 4.836,27 4.959,28 4.396,29 4.11,30 6.264,31 4.112,32 4.937,33 5.116,34 4.254,35 4.045,36 6.331,37 4.024,38 4.699,39 4.856,40 4.166,41 3.979,42 5.981,43 3.96,44 4.723,45 4.874,46 4.26,47 3.985,48 6.112,49 3.97,50 4.7,51 4.839,52 4.282,53 3.86,54 6.169,55 3.881,56 0.349,57 0.898,58 5.928,59 4.939,60 39.831,61 4.299,62 1.29,63 1.783,64 16.653,65 8.037,66 176.088,67 6.889,68 0.804,69 1.555,70 17.367,71 9.279,72 69.839,73 8.03,74 1.177,75 1.884,76 21.413,77 11.028,78 105.117,79 10.069,80 1.943,81 1.865,82 34.528,83 12.268,84 197.829,85 11.26,86 1.029,87 1.434,88 22.298,89 9.259,90 110.25,91 8.547,92 0.935,93 1.508,94 22.087,95 9.99,96 94.851,97 9.704,98 1.097,99 1.693,100 29.727,101 10.668,102 131.404,103 8.559,104 66,105 53,106 0.32,107 0.653,108 0.766,109 0.832,110 0.852,111 0.865,112 3.532,113 0.857,114 -3.99,115 -3.94,116 -3.73,119 44,124 2,125 1,132 1,142 7,143 2,144 3,146 1,152 2,153 1,158 1,160 1,167 1,170 1,172 6,174 1,175 8,178 1,183 7,184 1,187 1,188 8,189 1,193 1,196 4,197 1,199 4,200 5,201 1,203 1,205 1,208 3,212 3,213 1,216 1,221 5,222 1,224 1,225 5,226 1,230 1,233 4,234 3,237 1,238 8,241 1,243 3,246 3,247 3,249 1,250 6,251 1,255 3,258 2,259 1,263 2,264 4,265 1,267 1,269 1,272 3,276 1872,277 21.867,278 21.867,279 21.867,280 21.867,281 21.867,282 19.348,283 26.266,284 12.452,285 22.897,286 17.636,287 17.636,288 17.636,289 17.636,290 17.636,291 13.557,292 28.948,293 5.691,294 19.247,295 3.719,296 1.718,297 1.038,298 0.645,299 0.525,300 0.445,301 4.22,305 1,306 1,307 828,308 4.243,311 164.564,312 207.855,315 139.8,319 1.945,320 62.243,323 1,324 0.83,325 1,326 0.4,327 0.5,328 1,329 1,330 0.82,331 76.5,332 390,333 4.662,334 4.471,335 7.247,336 4.255,337 3.375,338 4.602,339 3.825,340 12.232,341 3.027,342 4.535,343 3.635,344 6.767,345 4.169,346 3.24,347 4.08,348 1.437,349 11.138,350 3.018,351 4.387,352 3.326,353 6.444,354 3.937,355 3.004,356 3.99,357 1.151,358 9.965,359 2.778,360 4.014,361 3.088,362 6.105,363 3.599,364 2.675,365 3.51,366 0.86,367 8.85,368 2.46,369 3.658,370 2.948,371 5.599,372 3.325,373 2.412,374 2.937,375 0.86,376 7.354,377 2.132,378 3.583,379 2.695,380 5.588,381 3.135,382 2.191,383 2.858,385 7.129,386 2.048,387 3.276,388 2.296,389 4.918,390 2.842,391 1.902,392 2.506,394 5.325,395 1.768,396 3.075,397 2.188,398 4.728,399 2.634,400 1.717,401 2.265,403 4.963,404 1.565,405 2.908,406 1.776,407 4.22,408 2.47,409 1.484,410 2.07,412 3.575,413 1.458,414 2.623,415 1.445,416 4.141,417 2.121,418 1.187,419 1.676,421 3.27,422 1.095,423 2.583,424 1.345,425 3.84,426 2.05,427 1.15,428 1.616,430 2.827,431 1.021,432 2.448,433 1.323,434 3.62,435 2.012,436 1.131,437 1.429,439 2.733,440 0.983,441 2.301,442 1.147,443 3.563,444 1.719,445 0.811,446 1.149,448 2.087,449 0.71,450 1.793,451 0.947,452 3.156,453 1.442,454 0.548,455 0.667,457 1.333,458 0.481,459 1.629,460 0.855,461 2.956,462 1.225,463 0.356,464 0.417,466 0.636,467 0.3,468 15.157,469 0.459,470 1.035,471 0.031,472 43,473 1.303,474 21,475 0.636,476 22,477 0.667,478 28.306,479 0.858,480 36.443,481 0.729,482 38.392,483 1.163,484 8.973,485 0.272,486 6.75,487 0.205,488 0.167,489 0.033,490 0.356,493 3,496 0.729,497 0.977,498 0.629,499 0.989,500 0.656,501 0.868,502 0.751,503 0.657,504 0.709,505 0.723,506 0.424,507 0.671,508 0.777,509 1.019,510 0.863,511 1.205,512 0.629,513 1.012,514 0.888,515 1.178,516 1.035,517 1.245,518 0.849,519 1.186,520 1.153,521 0.902,522 1.233,523 0.875,524 1.15,525 0.956,526 0.927,527 0.724,528 1.02,529 0.88,530 0.845,531 0.906,532 0.788,533 0.9,534 0.91,535 1.094,536 0.765,537 1.007,538 1.154,539 1.293,540 1.325,541 1.472,542 1.315,543 1.075,544 8,545 0.222,546 4.667,547 3.014,548 2.354,549 1.316,550 0.945,551 0.734,552 0.67,553 0.362,554 14502,555 57749,556 2.018,557 34,559 15,561 1,562 1,567 1.755,568 1.842,569 3.513,570 -0.262,577 96.234,578 1.925,579 3.926,580 4.606,581 4.999,582 5.119,583 5.199,584 2.954,585 4.658,586 5.017,587 3.728,588 1968.17,589 8.801,590 29148.9,595 282.193,596 1.681,597 4.943,598 0.222,599 0.007,600 0.088,601 0.055,602 0.043,603 0.028,604 0.021,605 0.016,606 0.015,607 0.01,608 0.504,609 0.33,610 0.88,611 0.996,612 174.339,613 -0.083,614 -0.102,615 0.03,616 -0.035,617 -0.112,618 -0.004,619 0.172,620 0.336,621 0.158,622 0.261,623 0.371,624 0.217,625 -0.042,626 -0.158,627 0.034,628 -0.169,629 -0.022,630 -0.092,631 -0.007,632 -0.203,633 -0.097,634 -0.226,635 -0.029,636 -0.246,637 -0.063,638 0.142,639 -0.137,640 0.142,641 -0.122,642 0.05,643 -0.155,644 0.077,645 -0.054,646 0.101,647 -0.112,648 0.073,649 -0.033,650 -0.111,651 0.105,652 -0.071,653 0.005,655 -0.134,656 -0.274,657 -0.028,658 -0.27,659 -0.174,660 -0.074,661 5.8,662 5.259,663 0.606,664 33.19,665 1.048,666 1.134,667 2.757,668 7.602,669 0.692,670 3.611,671 3.989,672 4.277,673 4.564,674 4.754,675 4.905,676 5.075,677 5.215,678 5.323,679 5.412,680 7.214,681 0.694,682 478.48,683 3.611,684 5.187,685 6.057,686 6.967,687 7.857,688 8.77,689 9.667,690 10.581,691 11.482,692 12.397,693 4,701 1,703 1,708 2,709 8,710 1,713 1,714 7,715 1,716 21,725 1,733 3,735 50,737 22,738 2,739 36,741 53,742 22,743 17,744 6,745 6,746 1,748 4,749 5,754 1,759 1,762 18,763 4,767 1,772 1,776 1,781 3,783 17,784 9,785 1,786 11,787 1,789 1,792 2,797 0.75,798 5,815 2,816 2,819 1,841 1,843 3,845 1,847 2,849 3,851 33,857 1,858 1,861 3,865 1,869 1,873 3,874 10,876 1,877 1,879 3,881 17.917,882 9.779,883 7.194,884 2.607,886 4.091,887 1.504,888 0.97,889 6.547,890 12.201,891 3.882,892 4.543,893 5.183,894 5.813,895 6.318,896 6.744,897 7.201,898 7.643,899 7.974,900 8.347,901 0.875,902 55,903 12.735,905 6.028,906 8.341,907 22.001,909 17.794,911 2.841,912 93.75,916 188.338,917 169.936,918 18.685,920 100.828,921 44.88,922 31.278,923 138.658,924 289.166,925 63.565,926 21.766,927 4.592,928 66.334,929 105.913,930 104.954,931 3.503,932 207.844,933 7.76,934 188.338,935 157.343,936 145.708,937 31.278,939 188.338,940 145.708,943 25.943,944 114.614,945 16.786,946 31.278,947 233.218,948 119.513,949 169.936,952 196.097,953 65.458,954 98.618,956 162.494,957 188.338,958 164.393,959 169.936,961 0.593,962 0.352,963 0.192,964 0.1,965 26,966 13,967 0.132,968 7,969 1,970 1.1,971 4.198,972 313.5,973 0.1,974 20,975 161.71,977 1,981 23.394,982 9.235,983 4.657,984 1.208,985 162.494,986 11.333,987 4.316,990 0.913,991 0.292,992 1.644,993 42.683,994 522.666,995 47.5,1000 11.779,1004 -1.256,1007 52.407,1008 56.72,1009 0.341,1010 0.696,1011 0.816,1012 0.886,1013 0.907,1014 0.921,1015 5.149,1016 1.717,1017 6.098,1018 5.325,1019 4.673,1020 5.231,1021 3.42,1022 6.991,1023 4.507,1024 6.403,1025 1.484,1026 7.718,1027 4.963,1028 4.511,1029 5.223,1030 3.903,1031 8.186,1032 4.208,1033 7.752,1034 1.187,1035 9.446,1036 3.575,1037 6.389,1038 7.523,1039 5.481,1040 11.242,1041 6.061,1042 9.14,1043 1.15,1044 11.236,1045 3.27,1046 7.022,1047 8.325,1048 6.69,1049 13.217,1050 6.547,1051 10.559,1052 1.131,1053 13.066,1054 2.827,1055 8.431,1056 10.13,1057 8.065,1058 15.855,1059 7.923,1060 12,1061 0.811,1062 14.922,1063 2.733,1064 9.388,1065 11.295,1066 9.388,1067 18.124,1068 8.745,1069 13.457,1070 0.548,1071 16.798,1072 2.087,1073 10.641,1074 12.909,1075 10.735,1076 20.638,1077 9.943,1078 3.375,1079 0.356,1080 18.688,1081 1.333,1082 11.731,1083 14.245,1084 12.074,1085 23.025,1086 10.915,1087 3.24,1088 12.232,1089 20.59,1090 0.636,1091 12.934,1092 15.782,1093 13.417,1094 25.504,1095 12.045,1096 3.004,1097 11.138,1098 22.501,1099 4.602,1100 14.079,1101 17.201,1102 14.758,1103 27.941,1104 13.083,1105 2.675,1106 9.965,1107 24.419,1108 4.08,1109 15.268,1110 18.711,1111 16.1,1112 30.414,1113 14.189,1114 2.412,1115 8.85,1116 26.344,1117 3.99,1118 16.438,1119 20.171,1120 17.441,1121 32.874,1122 15.257,1123 2.191,1124 7.354,1125 28.275,1126 3.51,1127 17.625,1128 21.673,1129 18.783,1130 35.35,1131 16.354,1132 1.902,1133 7.129,1134 30.211,1135 2.937,1136 18.807,1137 23.156,1138 20.124,1139 37.823,1140 17.437,1141 14100,1142 28334,1143 23.175,1144 34.597,1145 55.683,1146 55.483,1147 57.449,1148 55.115,1149 55.019,1150 72.312,1151 16.266,1152 167.786,1153 50.266,1154 5.519,1155 6.471,1156 6.929,1157 5.42,1158 5.375,1159 7.602,1160 5.335,1161 19.718,1162 5.027,1163 20.489,1164 1.547,1165 1.541,1166 1.596,1167 1.531,1168 1.528,1169 2.009,1170 0.452,1171 4.661,1172 1.396,1173 4.14,1174 4.169,1175 4.305,1176 4.047,1177 8.513,1178 4.042,1179 3.955,1180 3.978,1181 3.998,1182 3.878,1183 7.999,1184 3.88,1185 3.828,1186 3.818,1187 3.905,1188 3.817,1189 7.999,1190 3.774,1191 3.484,1192 3.512,1193 3.429,1194 3.238,1195 7.475,1196 3.28,1197 3.317,1198 3.364,1199 3.331,1200 3.043,1201 6.351,1202 3.071,1203 3.25,1204 3.315,1205 3.171,1206 2.98,1207 5.088,1208 3.007,1209 3.23,1210 3.248,1211 3.124,1212 2.956,1213 4.801,1214 2.971,1215 3.146,1216 3.18,1217 3.055,1218 2.878,1219 4.716,1220 2.919,1221 0.13,1222 0.124,1223 0.201,1224 0.118,1225 0.094,1226 4.662,1227 0.128,1228 4.471,1229 0.106,1230 7.247,1231 0.34,1232 4.255,1233 0.084,1234 3.375,1235 4.602,1236 3.825,1237 12.232,1238 3.027,1239 1.922,1240 1.901,1241 2.024,1242 2.023,1243 1.17,1244 2.017,1245 1.908,1246 1.893,1247 1.963,1248 2.014,1249 1.129,1250 2.004,1251 1.554,1252 1.534,1253 1.646,1254 1.742,1255 0.752,1256 1.715,1257 1.496,1258 1.504,1259 1.576,1260 1.664,1261 0.675,1262 1.633,1263 1.22,1264 1.161,1265 1.558,1266 1.526,1267 0.575,1268 1.54,1269 1.188,1270 1.131,1271 1.486,1272 1.506,1273 0.565,1274 1.518,1275 1.161,1276 1.102,1277 1.365,1278 1.441,1279 0.549,1280 1.396,1281 1.09,1282 1.052,1283 1.205,1284 1.418,1285 0.269,1286 1.34,1287 4.29,1289 5.652,1290 3.045,1291 7.2,1292 5.416,1293 8.832,1294 7.535,1295 10.512,1297 2.989,1299 39.776,1302 9.61,1303 -0.443,1306 16.14,1310 -4.55,1314 34.695,1315 96.234,1316 196.277,1317 230.277,1318 249.928,1319 255.928,1320 259.928,1321 84.015,1322 8.11,1323 82.81,1324 111.05,1325 22,1326 12.911,1327 4.524,1328 3.644,1329 54.259,1330 144,1331 138,1332 0.185,1333 211.25,1334 372.39,1335 507.209,1336 38936,1337 6,1338 23.75,1339 0.72,1340 0.55,1341 21.604,1342 18.159,1343 15.723,1344 0.437,1345 0.286,1346 9.28,1347 14.279,1348 9.028,1349 7.433,1350 14.92,1351 10.287,1352 14.967,1353 0.282,1354 0.148,1355 13.588,1356 7.868,1357 12.099,1358 0.17,1359 0.084,1360 12.292,1361 5.979,1362 10.374,1363 0.109,1364 0.045,1365 10.406,1366 4.252,1367 8.036,1368 0.07,1369 0.024,1370 8.203,1371 2.713,1372 0.29,1373 105.955,1374 0.208,1375 30.422,1376 0.511,1377 178,1378 815.576,1379 239.448,1380 706.08,1381 924.33,1382 656,1383 213,1384 631.293,1385 268.951,1386 632.627,1387 951.97,1388 589,1389 6.7}
{0 CHEMBL475251,1 1.811,2 13.294,3 3.881,4 15.065,5 120.223,6 8.255,7 0.486,8 4.181,9 4.287,10 3.819,11 3.59,12 5.41,13 3.639,14 4.696,15 4.852,16 4.212,17 3.93,18 5.928,19 3.987,20 4.871,21 5.003,22 4.354,23 4.072,24 6.256,25 4.124,26 4.965,27 5.15,28 4.237,29 4.11,30 6.19,31 4.106,32 4.971,33 5.17,34 4.157,35 4.096,36 6.144,37 4.074,38 4.931,39 5.145,40 4.061,41 4.021,42 6.123,43 3.982,44 4.857,45 5.115,46 4.009,47 3.875,48 5.993,49 3.849,50 4.682,51 4.9,52 3.99,53 3.738,54 5.985,55 3.776,56 0.241,57 0.916,58 9.999,59 4.578,60 11.947,61 5.41,62 0.752,63 1.357,64 21.622,65 7.518,66 50.92,67 8.972,68 1.2,69 1.653,70 24.404,71 7.729,72 79.055,73 9.366,74 1.098,75 1.661,76 29.552,77 9.584,78 85.717,79 12.264,80 1.125,81 1.673,82 30.993,83 9.389,84 71.271,85 12.534,86 1.08,87 1.631,88 30.075,89 9.243,90 75.683,91 12.335,92 0.918,93 1.487,94 31.121,95 8.513,96 74.725,97 12.79,98 0.995,99 1.342,100 24.284,101 6.132,102 80.035,103 8.003,104 59,105 54,106 0.295,107 0.608,108 0.739,109 0.778,110 0.791,111 0.815,112 3.56,113 0.82,114 -3.27,115 -3.26,116 -3.12,119 38.6,120 2,124 3,130 1,142 4,144 6,145 1,147 3,150 1,158 1,172 1,174 1,175 6,178 6,180 3,183 2,187 4,188 6,191 1,193 4,199 3,200 7,203 3,204 2,205 1,208 2,213 4,216 2,221 2,224 5,225 2,228 3,230 3,237 3,238 1,243 3,249 1,250 2,253 3,254 1,258 2,263 1,264 2,267 2,272 2,276 2092,277 22.632,278 22.632,279 22.632,280 22.632,281 22.632,282 20.291,283 39.73,284 12.811,285 23.637,286 18.052,287 18.052,288 18.052,289 18.052,290 18.052,291 14.241,292 67.244,293 5.824,294 19.48,295 4.022,296 2.105,297 1.304,298 1.067,299 0.983,300 0.838,301 4.251,305 1,306 1,307 963,308 3.674,312 424.732,316 161.402,319 2.118,320 47.252,323 0.75,324 0.67,325 0.83,326 0.9,328 0.83,329 1,330 0.71,331 77.5,332 452,333 4.54,334 4.104,335 7.282,336 4.367,337 3.413,338 4.111,339 2.03,340 12.355,341 3.249,342 4.426,343 3.375,344 6.524,345 4.012,346 3.069,347 3.999,348 0.892,349 10.264,350 2.887,351 4.272,352 3.208,353 6.161,354 3.848,355 2.921,356 3.877,357 0.86,358 9.146,359 2.705,360 4.099,361 3.007,362 6.078,363 3.689,364 2.747,365 3.463,366 0.86,367 8.822,368 2.574,369 3.694,370 2.778,371 5.5,372 3.339,373 2.412,374 3.02,375 0.86,376 7.382,377 2.231,378 3.475,379 2.691,380 5.217,381 3.078,382 2.14,383 2.782,384 0.4,385 6.48,386 2.001,387 3.355,388 2.555,389 5.19,390 2.972,391 2.061,392 2.604,393 0.4,394 6.118,395 1.867,396 3.298,397 2.402,398 4.959,399 2.84,400 1.912,401 2.593,402 0.141,403 5.726,404 1.764,405 3.103,406 2.154,407 4.898,408 2.765,409 1.818,410 2.208,412 5.276,413 1.704,414 2.825,415 1.907,416 4.173,417 2.331,418 1.416,419 1.955,421 3.756,422 1.289,423 2.649,424 1.693,425 4.028,426 2.165,427 1.171,428 1.625,430 3.088,431 1.151,432 2.201,433 1.631,434 3.78,435 1.967,436 1.145,437 1.187,439 2.397,440 0.937,441 1.688,442 1.025,443 3.18,444 1.332,445 0.433,446 0.516,448 1.046,449 0.382,450 1.576,451 0.916,452 3.021,453 1.27,454 0.396,455 0.452,457 0.651,458 0.342,459 1.525,460 0.79,461 2.971,462 1.217,463 0.352,464 0.386,466 0.603,467 0.301,468 15.352,469 0.452,470 1.025,471 0.03,472 47,473 1.382,474 23,475 0.676,476 24,477 0.706,478 28.102,479 0.827,480 38.048,481 0.668,482 40.445,483 1.19,484 9.545,485 0.281,486 6.688,487 0.197,488 0.203,489 0.033,490 0.358,494 1,496 0.854,497 1.402,498 0.693,499 1.268,500 0.651,501 0.986,502 1.044,503 0.938,504 0.665,505 0.846,506 0.692,507 0.688,508 1.099,509 1.139,510 0.993,511 1.062,512 1.002,513 1.006,514 0.962,515 0.996,516 1.021,517 1.05,518 1.094,519 1.054,520 1.027,521 0.99,522 1.075,523 1,524 0.725,525 1.049,526 0.941,527 1.075,528 1.121,529 1.068,530 0.993,531 1.136,532 0.72,533 1.088,534 0.69,535 0.892,536 0.849,537 0.796,538 1.182,539 1.059,540 0.967,541 0.742,542 1.328,543 0.739,544 9.5,545 0.26,546 4.444,547 2.938,548 2.747,549 1.215,550 0.847,551 0.582,552 0.476,553 0.451,554 16879,555 54611,556 2.018,557 40.4,559 13,561 1,562 3,564 6,567 1.758,568 1.846,569 3.693,570 0.928,572 1,577 103.206,578 1.811,579 3.728,580 4.529,581 4.766,582 4.85,583 4.995,584 3.125,585 4.572,586 5.062,587 3.885,588 2179.36,589 8.865,590 33835.9,595 332.475,596 1.667,597 4.989,598 0.257,599 0.008,600 0.082,601 0.05,602 0.053,603 0.025,604 0.02,605 0.014,606 0.012,607 0.012,608 0.533,609 0.33,610 0.75,611 0.928,612 183.474,613 -0.111,614 -0.275,615 0.046,616 -0.179,617 -0.097,618 -0.04,619 -0.053,620 0.056,621 0.236,622 0.155,623 0.032,624 0.25,625 0.032,626 -0.029,627 -0.108,628 -0.084,629 0.026,630 -0.133,631 -0.034,632 -0.021,633 -0.093,634 -0.074,635 -0.096,636 -0.102,637 -0.106,638 -0.045,639 -0.126,640 -0.025,641 -0.017,642 -0.079,643 -0.034,644 -0.044,645 -0.157,646 -0.103,647 -0.078,648 -0.165,649 0.111,650 -0.13,651 0.349,652 0.066,653 0.097,654 0.24,655 -0.051,656 0.153,657 0.052,658 0.164,659 -0.06,660 0.165,661 2.364,662 6.439,663 0.647,664 36.18,665 1.03,666 1.142,667 2.038,668 4.155,669 0.651,670 3.638,671 4.007,672 4.277,673 4.522,674 4.787,675 4.828,676 4.942,677 5.069,678 5.198,679 5.273,680 7.926,681 0.646,682 470.51,683 3.638,684 5.209,685 6.071,686 6.969,687 7.847,688 8.743,689 9.626,690 10.521,691 11.406,692 12.301,693 10.5,700 1,701 2,703 3,709 5,710 3,714 10,716 18,728 2,733 4,734 1,735 57,737 19,738 1,739 37,741 60,742 22,743 15,744 4,745 2,748 4,749 5,754 2,758 1,762 16,763 6,764 1,767 1,772 1,776 1,780 1,781 1,783 23,784 12,785 3,786 12,792 6,797 0.75,798 5,809 1,810 1,816 4,820 1,829 1,843 3,847 5,849 1,851 34,860 3,861 4,865 1,873 1,874 8.8,877 1,879 4,881 18.417,882 11.993,883 7.486,884 2.984,886 3.524,887 1.431,888 0.952,889 6.748,890 11.706,891 3.871,892 4.494,893 5.042,894 5.575,895 6.132,896 6.338,897 6.661,898 7.076,899 7.442,900 7.783,901 0.889,902 59,903 12.559,905 5.385,906 8.002,907 22.985,909 18.11,911 2.502,912 85.083,916 235.422,917 143.691,918 104.389,920 69.144,921 14.96,923 143.691,924 304.567,925 119.349,926 50.3,927 18.011,928 37.905,929 91.977,930 121.92,931 23.843,932 223.651,934 235.422,935 248.08,936 84.105,939 179.756,940 139.771,943 82.629,944 115.094,945 50.357,947 250.382,948 173.533,949 143.691,952 235.422,953 46.439,954 97.252,955 54.032,956 134.461,957 235.422,958 188.493,959 143.691,961 0.591,962 0.358,963 0.188,964 0.106,965 26,966 13,967 0.117,968 7,969 1,970 1.091,971 4.336,972 319.203,973 0.091,974 22,975 162.974,981 23.946,982 9.581,983 5.018,985 188.493,986 7.55,987 12.446,991 1.969,993 54.032,994 567.606,995 47,1000 12.141,1004 -0.338,1007 58.712,1008 65.113,1009 0.31,1010 0.639,1011 0.777,1012 0.817,1013 0.831,1014 0.856,1015 5.145,1016 1.912,1017 6.107,1018 6.118,1019 4.691,1020 5.182,1021 2.693,1022 6.974,1023 4.549,1024 6.383,1025 1.818,1026 7.714,1027 5.726,1028 4.511,1029 5.147,1030 1.593,1031 8.127,1032 4.326,1033 7.723,1034 1.416,1035 9.424,1036 5.276,1037 6.392,1038 7.39,1039 3.387,1040 11.154,1041 6.13,1042 9.094,1043 1.171,1044 11.194,1045 3.756,1046 6.976,1047 8.073,1048 3.201,1049 13.092,1050 6.67,1051 10.492,1052 1.145,1053 13.005,1054 3.088,1055 8.392,1056 9.856,1057 4.521,1058 15.716,1059 8.024,1060 11.908,1061 0.433,1062 14.844,1063 2.397,1064 9.311,1065 10.87,1066 4.75,1067 17.977,1068 8.897,1069 13.337,1070 0.396,1071 16.704,1072 1.046,1073 10.566,1074 12.46,1075 5.819,1076 20.489,1077 10.098,1078 3.413,1079 0.352,1080 18.583,1081 0.651,1082 11.635,1083 13.643,1084 6.248,1085 22.885,1086 11.12,1087 3.069,1088 12.355,1089 20.477,1090 0.603,1091 12.837,1092 15.139,1093 7.175,1094 25.374,1095 12.273,1096 2.921,1097 10.264,1098 22.383,1099 4.111,1100 13.973,1101 16.415,1102 7.714,1103 27.828,1104 13.362,1105 2.747,1106 9.146,1107 24.299,1108 3.999,1109 15.163,1110 17.862,1111 8.557,1112 30.317,1113 14.505,1114 2.412,1115 8.822,1116 26.225,1117 3.877,1118 16.332,1119 19.188,1120 9.16,1121 32.797,1122 15.627,1123 2.14,1124 7.382,1125 28.158,1126 3.463,1127 17.523,1128 20.61,1129 9.952,1130 35.293,1131 16.772,1132 2.061,1133 6.48,1134 30.098,1135 3.02,1136 18.709,1137 21.965,1138 10.594,1139 37.787,1140 17.912,1141 16292,1142 29510,1143 23.868,1144 37.097,1145 55.607,1146 57.918,1147 58.353,1148 55.078,1149 55.24,1150 70.054,1151 12.887,1152 166.968,1153 51.143,1154 5.484,1155 6.104,1156 6.824,1157 5.479,1158 5.413,1159 7.111,1160 3.634,1161 19.836,1162 5.249,1163 21.237,1164 1.503,1165 1.565,1166 1.577,1167 1.489,1168 1.493,1169 1.893,1170 0.348,1171 4.513,1172 1.382,1173 4.006,1174 4.042,1175 3.975,1176 3.856,1177 8.201,1178 3.879,1179 3.93,1180 3.95,1181 3.896,1182 3.796,1183 7.428,1184 3.817,1185 3.807,1186 3.843,1187 3.784,1188 3.619,1189 5.034,1190 3.655,1191 3.614,1192 3.659,1193 3.535,1194 3.472,1195 4.951,1196 3.478,1197 3.303,1198 3.355,1199 3.182,1200 3.027,1201 4.876,1202 3.054,1203 3.29,1204 3.35,1205 3.144,1206 3.006,1207 4.58,1208 3.026,1209 3.203,1210 3.282,1211 2.993,1212 2.897,1213 4.469,1214 2.901,1215 3.131,1216 3.211,1217 2.979,1218 2.874,1219 4.453,1220 2.888,1221 0.123,1222 0.111,1223 0.197,1224 0.118,1225 0.092,1226 4.54,1227 0.111,1228 4.104,1229 0.055,1230 7.282,1231 0.334,1232 4.367,1233 0.088,1234 3.413,1235 4.111,1236 2.03,1237 12.355,1238 3.249,1239 1.888,1240 1.867,1241 1.968,1242 2.068,1243 1.087,1244 2.036,1245 1.864,1246 1.84,1247 1.947,1248 2.02,1249 1.068,1250 1.994,1251 1.706,1252 1.666,1253 1.823,1254 1.911,1255 0.915,1256 1.877,1257 1.581,1258 1.537,1259 1.723,1260 1.753,1261 0.723,1262 1.757,1263 1.227,1264 1.163,1265 1.59,1266 1.558,1267 0.584,1268 1.565,1269 1.213,1270 1.149,1271 1.572,1272 1.523,1273 0.574,1274 1.536,1275 1.159,1276 1.071,1277 1.541,1278 1.479,1279 0.562,1280 1.498,1281 1.048,1282 0.975,1283 1.417,1284 1.36,1285 0.469,1286 1.341,1287 4.317,1289 5.673,1291 7.228,1293 8.873,1295 10.565,1297 7.795,1299 14.439,1305 8.453,1306 21.647,1310 -1.018,1314 36.827,1315 103.206,1316 212.487,1317 258.171,1318 271.681,1319 276.436,1320 284.7,1321 73.233,1322 8.182,1323 128.75,1324 128.75,1325 24,1326 12.828,1327 4.322,1328 3.459,1329 57.072,1330 163,1331 140,1332 0.169,1333 224.9,1334 396.64,1335 540.515,1336 44884,1337 1.8,1338 24.457,1339 0.719,1340 0.563,1341 23.587,1342 19.148,1343 16.233,1344 0.439,1345 0.273,1346 9.83,1347 15.114,1348 9.49,1349 7.936,1350 15.822,1351 10.119,1352 15.163,1353 0.281,1354 0.142,1355 14.645,1356 7.664,1357 12.804,1358 0.18,1359 0.069,1360 12.255,1361 4.914,1362 10.285,1363 0.113,1364 0.035,1365 10.104,1366 3.186,1367 8.819,1368 0.074,1369 0.018,1370 8.437,1371 2.171,1372 0.27,1373 105.445,1374 0.205,1375 31.555,1376 0.452,1377 182,1378 708.723,1379 213.875,1380 634.645,1381 856.84,1382 594,1383 216,1384 630.738,1385 249.215,1386 626.056,1387 917.24,1388 582,1389 5.362}
{0 CHEMBL477772,1 1.719,2 11.968,3 3.864,4 14.932,5 122.737,6 8.103,7 0.647,8 4.104,9 4.224,10 3.876,11 3.648,12 5.22,13 3.62,14 4.618,15 4.794,16 4.174,17 4.016,18 5.962,19 3.99,20 4.786,21 4.955,22 4.224,23 4.173,24 5.958,25 4.124,26 4.937,27 5.132,28 4.161,29 4.214,30 6.076,31 4.121,32 5.003,33 5.255,34 4.006,35 4.116,36 6.109,37 4.009,38 4.823,39 5.085,40 3.915,41 3.953,42 5.83,43 3.865,44 4.627,45 4.861,46 3.942,47 3.859,48 5.821,49 3.799,50 4.578,51 4.779,52 3.856,53 3.88,54 5.703,55 3.799,56 0.138,57 0.904,58 12.929,59 4.722,60 20.395,61 5.743,62 0.473,63 1.378,64 22.161,65 7.738,66 72,67 9.924,68 0.338,69 1.611,70 24.428,71 8.777,72 40.919,73 11.033,74 0.405,75 1.764,76 32.164,77 11.123,78 46.141,79 14.3,80 0.678,81 1.676,82 37.021,83 11.492,84 90.976,85 15.73,86 0.506,87 1.46,88 30.445,89 8.58,90 62.666,91 12.541,92 0.541,93 1.281,94 22.957,95 6.991,96 53.727,97 9.878,98 0.292,99 1.246,100 21.137,101 7.269,102 30.346,103 9.7,104 51,105 51,106 0.28,107 0.632,108 0.768,109 0.863,110 0.869,111 0.869,112 3.472,113 0.978,114 -3.85,115 -3.81,116 -3.61,119 38.9,120 2,124 2,142 7,143 2,144 3,145 1,146 1,147 1,150 1,152 1,163 1,164 1,165 1,166 1,172 5,174 3,175 9,177 2,178 4,180 2,183 8,188 9,193 3,196 5,198 2,199 2,200 13,203 1,205 4,208 4,210 2,212 1,213 5,216 2,217 1,218 2,220 1,221 1,223 1,224 1,225 9,230 2,233 3,237 5,238 5,240 2,241 2,243 1,246 1,249 1,250 3,253 1,255 1,258 6,263 3,264 3,266 1,267 2,269 1,272 5,274 1,276 1567,277 20.074,278 20.074,279 20.074,280 20.074,281 20.074,282 17.087,283 26.988,284 11.303,285 20.607,286 16.736,287 16.736,288 16.736,289 16.736,290 16.736,291 12.175,292 41.389,293 5.36,294 17.634,295 4.036,296 1.878,297 1.049,298 0.463,299 0.426,300 0.426,301 4.159,305 1,306 1,307 797,308 3.873,311 77.894,312 294.507,315 134.204,319 1.973,320 31.722,323 1,324 0.83,325 1,326 0.6,328 1,329 1,330 0.78,331 67.5,332 371,333 4.845,334 4.685,335 7.24,336 4.298,337 3.377,338 4.71,339 0.8,340 12.181,341 3.09,342 4.623,343 3.297,344 6.671,345 4.154,346 3.185,347 4.582,348 0.4,349 10.671,350 3.082,351 4.237,352 3.146,353 6.389,354 3.878,355 2.947,356 3.787,358 9.682,359 2.741,360 3.997,361 2.817,362 5.656,363 3.577,364 2.629,365 3.553,367 7.841,368 2.5,369 3.82,370 2.506,371 5.486,372 3.346,373 2.382,374 3.318,376 7.05,377 2.285,378 3.509,379 2.301,380 5.364,381 3.112,382 2.146,383 2.824,385 6.502,386 2.07,387 3.334,388 2.095,389 5.133,390 2.916,391 1.957,392 2.622,394 5.891,395 1.868,396 3.144,397 1.813,398 4.847,399 2.68,400 1.715,401 2.439,403 5.232,404 1.653,405 3.111,406 1.754,407 4.714,408 2.64,409 1.672,410 2.351,412 4.851,413 1.611,414 2.682,415 1.298,416 4.033,417 2.174,418 1.223,419 1.765,421 3.139,422 1.16,423 2.658,424 1.27,425 3.718,426 2.146,427 1.154,428 1.711,430 2.746,431 1.141,432 2.283,433 1.052,434 3.497,435 1.877,436 0.908,437 1.208,439 2.204,440 0.877,441 1.952,442 0.837,443 3.435,444 1.601,445 0.653,446 0.819,448 1.692,449 0.618,450 1.509,451 0.575,452 2.986,453 1.198,454 0.241,455 0.292,457 0.597,458 0.229,459 1.053,460 0.163,461 2.859,462 0.728,463 -0.228,464 -0.28,466 -0.543,467 -0.217,468 14.8,469 0.477,470 1.128,471 0.036,472 44.5,473 1.435,474 24,475 0.774,476 20.5,477 0.661,478 24.917,479 0.804,480 33.2,481 0.615,482 35.768,483 1.154,484 8.627,485 0.278,486 6.003,487 0.194,488 0.207,489 0.056,490 0.358,496 0.646,497 1.405,498 0.81,499 1.222,500 0.793,501 0.943,502 0.651,503 0.977,504 0.775,505 0.841,506 0.405,507 0.735,508 1.224,509 1.209,510 1.01,511 0.995,512 1.002,513 1.014,514 0.968,515 1.273,516 1.225,517 1.344,518 0.872,519 1.296,520 1.054,521 0.952,522 0.939,523 0.903,524 1.158,525 0.98,526 1.024,527 0.959,528 0.805,529 0.783,530 0.875,531 0.861,532 0.733,533 0.846,534 0.75,535 0.696,536 0.422,537 0.796,538 0.915,539 1.121,540 1.039,541 1.123,542 0.727,543 1.157,544 8.5,545 0.21,546 4.444,547 3.514,548 1.662,549 1.118,550 0.839,551 0.568,552 0.387,553 0.368,554 13259,555 38562,556 2.02,557 42.6,558 3,559 13,561 1,562 3,563 3,567 1.734,568 1.833,569 3.556,570 0.94,572 1,577 92.832,578 1.719,579 3.877,580 4.705,581 5.292,582 5.329,583 5.329,584 2.946,585 4.503,586 4.929,587 3.766,588 1751.26,589 8.594,590 25249.5,592 1,595 310.764,596 1.705,597 4.848,598 0.25,599 0.008,600 0.087,601 0.068,602 0.036,603 0.028,604 0.023,605 0.015,606 0.011,607 0.012,608 0.539,609 0.33,610 1,611 0.804,612 162.049,613 0.083,614 -0.169,615 0.198,616 -0.09,617 -0.22,618 0.011,619 0.303,620 0.143,621 0.152,622 0.146,623 0.43,624 0.2,625 -0.258,626 -0.091,627 -0.139,628 -0.035,629 -0.125,630 -0.091,631 -0.087,632 -0.217,633 -0.261,634 -0.332,635 -0.053,636 -0.329,637 -0.022,638 -0.038,639 -0.019,640 0.007,641 -0.078,642 0.002,643 -0.101,644 -0.013,645 0.085,646 0.088,647 -0.099,648 0.105,649 0.208,650 0.196,651 0.121,652 0.167,653 0.253,654 0.128,655 -0.09,656 -0.054,657 -0.155,658 -0.173,659 -0.048,660 -0.205,661 4.739,662 4.78,663 0.677,664 30.508,665 1.009,666 1.132,667 2.616,668 6.846,669 0.679,670 3.555,671 3.951,672 4.205,673 4.454,674 4.644,675 4.691,676 4.875,677 4.949,678 4.97,679 5.069,680 7.362,681 0.648,682 437.58,683 3.555,684 5.142,685 6.004,686 6.909,687 7.785,688 8.688,689 9.57,690 10.471,691 11.356,692 12.256,693 13,697 1,701 3,703 3,708 2,709 8,710 3,714 7,715 1,716 22,728 1,730 1,735 54,737 24,738 2,739 34,741 57,742 21,743 17,744 6,745 6,748 4,749 5,754 2,762 17,763 4,767 2,770 1,772 2,780 1,783 23,784 8,785 3,786 10,787 1,792 7,797 0.75,798 2,807 1,810 1,815 1,816 3,819 1,843 3,845 1,847 4,851 31,852 1,855 1,860 1,864 1,874 3.7,877 2,881 16.917,882 11,883 6.5,884 2.905,886 4.399,887 1.555,888 1.013,889 5.436,890 12.325,891 3.871,892 4.588,893 5.154,894 5.763,895 6.287,896 6.552,897 7.005,898 7.374,899 7.598,900 7.973,901 0.875,902 52,903 11.64,905 5.191,906 7.868,907 21.536,909 17.674,911 2.368,912 73.417,915 1,916 235.422,917 137.582,918 104.437,920 44.313,922 5.807,923 131.775,924 279.735,925 104.437,926 34.443,928 103.433,929 106.318,930 46.926,931 6.984,932 223.651,934 235.422,935 236.212,936 44.313,937 5.807,939 235.422,940 44.313,943 53.653,944 132.325,945 56.042,947 235.422,948 148.75,949 137.582,951 5.807,952 235.422,953 21.951,954 114.725,955 18.011,956 125.838,957 235.422,958 148.75,959 137.582,961 0.607,962 0.351,963 0.18,964 0.094,965 26,966 13,967 0.088,968 5,969 1,970 1.095,971 4.111,972 283.485,973 0.095,974 21,975 149.58,980 1,981 21.253,982 7.929,983 4.256,984 2.015,985 146.974,986 14.416,987 13.347,991 4.204,992 1.86,993 49.302,994 521.755,995 47,998 -3.822,1000 23.56,1007 54.512,1008 61.149,1009 0.299,1010 0.674,1011 0.818,1012 0.919,1013 0.926,1014 0.926,1015 5.139,1016 1.715,1017 6.057,1018 5.891,1019 4.635,1020 5.276,1021 0.824,1022 6.934,1023 4.533,1024 6.42,1025 1.672,1026 7.673,1027 5.232,1028 4.511,1029 5.427,1030 0.325,1031 8.091,1032 4.329,1033 7.791,1034 1.223,1035 9.393,1036 4.851,1037 6.347,1038 7.654,1039 0.413,1040 11.134,1041 6.125,1042 9.2,1043 1.154,1044 11.173,1045 3.139,1046 6.976,1047 8.57,1048 0.268,1049 13.073,1050 6.662,1051 10.639,1052 0.908,1053 12.992,1054 2.746,1055 8.374,1056 10.353,1057 0.246,1058 15.71,1059 8.017,1060 12.1,1061 0.653,1062 14.838,1063 2.204,1064 9.32,1065 11.606,1066 0.188,1067 17.963,1068 8.872,1069 13.579,1070 0.241,1071 16.706,1072 1.692,1073 10.568,1074 13.229,1075 0.157,1076 20.477,1077 10.07,1078 3.377,1079 -0.228,1080 18.589,1081 0.597,1082 11.65,1083 14.636,1084 0.125,1085 22.858,1086 11.067,1087 3.185,1088 12.181,1089 20.486,1090 -0.543,1091 12.849,1092 16.199,1093 0.102,1094 25.337,1095 12.207,1096 2.947,1097 10.671,1098 22.394,1099 4.71,1100 13.99,1101 17.675,1102 0.082,1103 27.773,1104 13.268,1105 2.629,1106 9.682,1107 24.312,1108 4.582,1109 15.176,1110 19.218,1111 0.067,1112 30.246,1113 14.389,1114 2.382,1115 7.841,1116 26.237,1117 3.787,1118 16.343,1119 20.726,1120 0.054,1121 32.706,1122 15.48,1123 2.146,1124 7.05,1125 28.168,1126 3.553,1127 17.528,1128 22.262,1129 0.043,1130 35.182,1131 16.596,1132 1.957,1133 6.502,1134 30.105,1135 3.318,1136 18.708,1137 23.786,1138 0.035,1139 37.655,1140 17.701,1141 12703,1142 21887,1143 21.789,1144 36.688,1145 52.702,1146 53.364,1147 54.365,1148 52.426,1149 52.377,1150 71.959,1151 2.4,1152 160.562,1153 49.856,1154 5.643,1155 6.685,1156 6.787,1157 5.375,1158 5.377,1159 7.71,1160 1.2,1161 19.593,1162 5.09,1163 19.722,1164 1.55,1165 1.57,1166 1.599,1167 1.542,1168 1.54,1169 2.116,1170 0.071,1171 4.722,1172 1.466,1173 4.133,1174 4.171,1175 4.73,1176 4.071,1177 7.726,1178 4.035,1179 4.07,1180 4.062,1181 4.093,1182 4.008,1183 6.999,1184 3.978,1185 3.848,1186 3.896,1187 3.85,1188 3.672,1189 5.057,1190 3.691,1191 3.642,1192 3.646,1193 3.7,1194 3.547,1195 4.982,1196 3.474,1197 3.527,1198 3.585,1199 3.447,1200 3.352,1201 4.826,1202 3.364,1203 3.254,1204 3.343,1205 3.109,1206 3.071,1207 4.658,1208 3.064,1209 3.182,1210 3.275,1211 2.999,1212 2.969,1213 4.406,1214 2.962,1215 3.101,1216 3.209,1217 2.878,1218 2.887,1219 4.064,1220 2.871,1221 0.143,1222 0.138,1223 0.213,1224 0.126,1225 0.099,1226 4.845,1227 0.139,1228 4.685,1229 0.024,1230 7.24,1231 0.358,1232 4.298,1233 0.091,1234 3.377,1235 4.71,1236 0.8,1237 12.181,1238 3.09,1239 1.98,1240 1.982,1241 2.032,1242 2.073,1243 1.212,1244 2.086,1245 1.945,1246 1.921,1247 2.012,1248 2.027,1249 1.185,1250 2.037,1251 1.732,1252 1.686,1253 1.837,1254 1.903,1255 0.907,1256 1.894,1257 1.576,1258 1.504,1259 1.767,1260 1.846,1261 0.796,1262 1.824,1263 1.455,1264 1.479,1265 1.585,1266 1.647,1267 0.634,1268 1.688,1269 1.276,1270 1.19,1271 1.534,1272 1.54,1273 0.599,1274 1.559,1275 1.212,1276 1.13,1277 1.517,1278 1.434,1279 0.571,1280 1.471,1281 1.107,1282 1,1283 1.277,1284 1.374,1285 0.515,1286 1.43,1287 4.234,1289 5.609,1290 2.398,1291 7.165,1292 4.844,1293 8.797,1294 7.002,1295 10.47,1297 7.56,1301 5.298,1305 3.046,1309 1.932,1314 34.981,1315 92.832,1316 209.338,1317 254.093,1318 285.744,1319 287.744,1320 287.744,1321 54.45,1322 7.926,1323 119.03,1324 127.41,1325 23,1326 12.781,1327 4.644,1328 3.807,1329 49.612,1330 139,1331 116,1332 0.174,1333 220.046,1334 365.51,1335 528.671,1336 32767,1338 22.336,1339 0.721,1340 0.596,1341 22.586,1342 18.473,1343 14.63,1344 0.43,1345 0.326,1346 9.518,1347 13.273,1348 9.001,1349 7.557,1350 15.524,1351 11.085,1352 14.586,1353 0.286,1354 0.174,1355 15.954,1356 8.888,1357 11.723,1358 0.178,1359 0.095,1360 12.481,1361 6.29,1362 9.589,1363 0.113,1364 0.049,1365 10.318,1366 4.178,1367 7.514,1368 0.073,1369 0.025,1370 7.966,1371 2.524,1372 0.277,1373 100.934,1374 0.214,1375 29.198,1376 0.468,1377 170,1378 506.202,1379 221.141,1380 518.907,1381 714.91,1382 478,1383 202,1384 521.846,1385 261.213,1386 566.356,1387 818.81,1388 527,1389 5}
{0 CHEMBL481491,1 1.909,2 10.31,3 4.718,4 22.255,5 103.36,6 9.708,7 0.656,8 3.911,9 3.998,10 3.721,11 3.509,12 5.187,13 3.514,14 4.425,15 4.534,16 4.203,17 3.891,18 6.162,19 3.89,20 4.559,21 4.692,22 4.212,23 3.954,24 5.863,25 3.937,26 4.655,27 4.801,28 4.21,29 3.948,30 6.081,31 3.928,32 4.688,33 4.873,34 4.032,35 3.841,36 6.136,37 3.806,38 4.401,39 4.554,40 3.933,41 3.771,42 5.722,43 3.742,44 4.456,45 4.598,46 4.039,47 3.81,48 5.893,49 3.789,50 4.537,51 4.703,52 4.085,53 3.689,54 6.017,55 3.71,56 0.221,57 0.844,58 4.718,59 3.921,60 35.307,61 3.535,62 0.928,63 1.712,64 11.407,65 6.767,66 147.071,67 6.001,68 0.568,69 1.464,70 16.658,71 8.339,72 68.765,73 7.754,74 0.835,75 1.705,76 20.308,77 9.454,78 94.875,79 8.624,80 1.456,81 1.622,82 27.329,83 10.027,84 170.533,85 8.557,86 0.654,87 1.188,88 16.628,89 7.142,90 86.17,91 6.35,92 0.543,93 1.318,94 15.221,95 7.714,96 70.047,97 7.457,98 0.776,99 1.584,100 22.046,101 8.364,102 110.22,103 6.704,104 30,105 47,106 0.327,107 0.64,108 0.74,109 0.846,110 0.885,111 0.893,112 3.408,113 0.872,114 -4.68,115 -4.6,116 -4.32,119 46.5,125 1,132 1,142 9,143 2,144 1,146 1,152 2,153 1,158 1,160 1,163 1,164 1,165 1,172 9,174 1,175 6,177 1,178 1,183 9,188 8,193 1,196 4,198 1,199 2,200 7,202 1,203 1,205 1,208 3,210 1,212 1,213 1,215 1,216 1,221 7,224 1,225 3,230 1,233 6,235 1,237 1,238 7,240 1,241 1,243 3,246 3,248 3,250 8,255 4,258 2,260 4,264 5,269 2,272 4,274 2,276 1360,277 19.179,278 19.179,279 19.179,280 19.179,281 19.179,282 16.633,283 19.58,284 11.095,285 19.838,286 15.81,287 15.81,288 15.81,289 15.81,290 15.81,291 11.902,292 21.755,293 5.233,294 17.024,295 3.517,296 1.686,297 1.1,298 0.483,299 0.25,300 0.204,301 4.099,305 1,306 1,307 646,308 3.873,311 140.348,312 179.789,315 120.136,319 1.748,320 50.468,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 66,332 299,333 4.625,334 4.471,335 7.247,336 4.255,337 3.375,338 4.546,339 3.825,340 12.232,341 3.022,342 4.535,343 3.574,344 6.741,345 4.131,346 3.209,347 4.054,348 1.151,349 11.027,350 2.967,351 4.35,352 3.219,353 6.425,354 3.891,355 2.946,356 3.988,357 0.98,358 9.865,359 2.769,360 3.678,361 2.979,362 5.667,363 3.326,364 2.414,365 3.056,367 7.411,368 2.164,369 3.656,370 2.722,371 5.59,372 3.242,373 2.291,374 2.858,376 7.331,377 2.13,378 3.279,379 2.351,380 4.911,381 2.862,382 1.907,383 2.483,385 5.285,386 1.801,387 3.046,388 1.796,389 4.539,390 2.518,391 1.548,392 2.319,394 4.288,395 1.5,396 2.953,397 1.547,398 4.158,399 2.498,400 1.526,401 2.133,403 3.565,404 1.483,405 2.855,406 1.485,407 4.019,408 2.354,409 1.404,410 2.002,412 3.407,413 1.319,414 2.584,415 1.341,416 3.622,417 2.119,418 1.158,419 1.618,421 2.827,422 1.094,423 2.532,424 1.298,425 3.588,426 1.97,427 1.054,428 1.544,430 2.601,431 0.954,432 2.325,433 1.009,434 3.539,435 1.739,436 0.821,437 1.178,439 2.092,440 0.73,441 1.96,442 0.854,443 3.16,444 1.474,445 0.559,446 0.729,448 1.364,449 0.502,450 1.777,451 0.51,452 3.074,453 1.364,454 0.44,455 0.609,457 1.077,458 0.404,459 0.922,460 0.51,461 2.737,462 0.574,463 -0.367,464 -0.444,466 -0.95,467 -0.341,468 13.557,469 0.467,470 0.916,471 0.032,472 39,473 1.345,474 20,475 0.69,476 19,477 0.655,478 22.798,479 0.786,480 30.843,481 0.717,482 31.903,483 1.1,484 7.965,485 0.275,486 5.877,487 0.203,488 0.117,489 0.037,490 0.325,493 3,496 0.636,497 0.881,498 0.624,499 0.846,500 0.624,501 0.777,502 0.54,503 0.703,504 0.71,505 0.855,506 0.387,507 0.841,508 0.749,509 0.964,510 0.897,511 1.179,512 0.642,513 1.04,514 0.963,515 1.152,516 1.165,517 1.258,518 0.885,519 1.149,520 1.328,521 0.907,522 1.374,523 0.886,524 1.311,525 0.96,526 0.969,527 0.729,528 1.116,529 0.872,530 0.895,531 0.848,532 0.76,533 0.988,534 0.964,535 1.168,536 0.768,537 1.073,538 1.229,539 1.309,540 1.135,541 1.322,542 1.3,543 1.108,544 6.5,545 0.165,546 4,547 2.639,548 1.652,549 0.865,550 0.752,551 0.633,552 0.493,553 0.237,554 10490,555 39587,556 2.061,557 32.6,559 11,561 1,562 2,567 1.722,568 1.902,569 3.336,570 0.296,577 82.078,578 1.909,579 3.74,580 4.327,581 4.944,582 5.176,583 5.223,584 2.777,585 4.211,586 4.833,587 3.546,588 1439.87,589 8.431,590 19424.4,592 1,595 233.329,596 1.636,597 4.769,598 0.203,599 0.007,600 0.085,601 0.057,602 0.037,603 0.023,604 0.02,605 0.016,606 0.014,607 0.008,608 0.471,609 0.17,610 1,611 0.871,612 146.475,613 -0.066,614 -0.033,615 0.023,616 0.04,617 -0.114,618 0.045,619 0.324,620 0.29,621 0.11,622 0.101,623 0.401,624 0.012,625 -0.046,626 -0.176,627 0.061,628 -0.17,629 -0.019,630 -0.083,631 -0.036,632 -0.198,633 -0.107,634 -0.205,635 -0.029,636 -0.187,637 -0.084,638 0.186,639 -0.218,640 0.181,641 -0.159,642 0.046,643 -0.161,644 0.088,645 -0.109,646 0.143,647 -0.126,648 0.117,649 -0.017,650 -0.188,651 0.001,652 -0.169,653 0.006,654 -0.105,655 -0.178,656 -0.317,657 -0.011,658 -0.281,659 -0.184,660 -0.146,661 5.748,662 5.182,663 0.69,664 25.486,665 1.041,666 1.134,667 3.452,668 11.919,669 0.714,670 3.497,671 3.871,672 4.143,673 4.431,674 4.585,675 4.682,676 4.844,677 4.984,678 5.05,679 5.094,680 6.491,681 0.71,682 417.44,683 3.497,684 5.069,685 5.932,686 6.838,687 7.721,688 8.629,689 9.519,690 10.427,691 11.321,692 12.23,693 7,700 1,701 1,703 1,708 2,709 10,710 1,713 1,714 5,715 1,716 21,722 1,733 1,735 43,737 22,738 2,739 32,741 46,742 20,743 17,744 4,745 8,746 1,748 4,749 5,754 1,759 1,762 18,763 2,767 1,772 1,776 1,781 3,783 14,784 7,785 2,786 9,787 1,789 1,792 3,797 0.75,798 2,815 2,816 2,819 1,843 3,845 1,849 3,851 29,852 1,858 1,861 1,865 1,869 1,873 3,874 4.7,877 1,879 1,881 15.25,882 7.745,883 6.167,884 2.328,886 4.044,887 1.523,888 1.031,889 5.155,890 11.779,891 3.795,892 4.454,893 5.086,894 5.712,895 6.171,896 6.527,897 6.975,898 7.417,899 7.689,900 8.037,901 0.857,902 46,903 11.208,905 5.377,906 8.307,907 19.475,909 16.086,911 2.807,912 81.417,915 1,916 141.253,917 160.43,918 51.582,920 36.145,921 44.88,922 31.278,923 129.152,924 177.398,925 96.462,927 37.49,928 85.286,929 67.025,930 72.468,931 3.503,932 160.76,933 7.76,934 141.253,935 180.734,936 81.025,937 31.278,939 141.253,940 81.025,943 58.84,944 105.108,945 16.786,946 31.278,947 186.134,948 87.727,949 160.43,952 149.013,953 58.766,954 95.804,956 130.708,957 141.253,958 132.607,959 160.43,961 0.596,962 0.343,963 0.188,964 0.096,965 24,966 11,967 0.109,968 5,969 1,970 1.1,971 3.959,972 262.107,973 0.1,974 20,975 136.127,977 1,981 19.62,982 7.619,983 3.91,984 1.585,985 130.708,986 15.747,987 4.299,990 1.086,991 0.064,992 1.767,993 32.897,994 434.29,995 43.5,1000 11.854,1004 -0.718,1007 44.76,1008 48.759,1009 0.352,1010 0.689,1011 0.797,1012 0.911,1013 0.954,1014 0.962,1015 5.051,1016 1.526,1017 5.969,1018 4.288,1019 4.554,1020 5.142,1021 3.235,1022 6.853,1023 4.408,1024 6.302,1025 1.404,1026 7.581,1027 3.565,1028 4.369,1029 5.066,1030 3.903,1031 8.057,1032 4.066,1033 7.644,1034 1.158,1035 9.306,1036 3.407,1037 6.26,1038 7.421,1039 5.444,1040 11.115,1041 5.95,1042 9.025,1043 1.054,1044 11.099,1045 2.827,1046 6.889,1047 8.181,1048 6.69,1049 13.117,1050 6.412,1051 10.439,1052 0.821,1053 12.934,1054 2.601,1055 8.309,1056 10.02,1057 8.06,1058 15.757,1059 7.809,1060 11.877,1061 0.559,1062 14.798,1063 2.092,1064 9.269,1065 11.164,1066 9.388,1067 18.046,1068 8.62,1069 13.333,1070 0.44,1071 16.682,1072 1.364,1073 10.53,1074 12.793,1075 10.734,1076 20.564,1077 9.829,1078 3.375,1079 -0.367,1080 18.581,1081 1.077,1082 11.624,1083 14.117,1084 12.074,1085 22.962,1086 10.793,1087 3.209,1088 12.232,1089 20.491,1090 -0.95,1091 12.832,1092 15.658,1093 13.417,1094 25.446,1095 11.928,1096 2.946,1097 11.027,1098 22.41,1099 4.546,1100 13.981,1101 17.067,1102 14.758,1103 27.89,1104 12.96,1105 2.414,1106 9.865,1107 24.336,1108 4.054,1109 15.173,1110 18.573,1111 16.1,1112 30.367,1113 14.065,1114 2.291,1115 7.411,1116 26.269,1117 3.988,1118 16.346,1119 20.023,1120 17.441,1121 32.831,1122 15.128,1123 1.907,1124 7.331,1125 28.206,1126 3.056,1127 17.536,1128 21.518,1129 18.783,1130 35.309,1131 16.223,1132 1.548,1133 5.285,1134 30.148,1135 2.858,1136 18.72,1137 22.989,1138 20.124,1139 37.785,1140 17.3,1141 10039,1142 19677,1143 20.978,1144 30.716,1145 50.247,1146 49.49,1147 50.307,1148 49.5,1149 49.305,1150 66.23,1151 11.912,1152 148.744,1153 45.68,1154 5.482,1155 6.471,1156 6.929,1157 5.42,1158 5.375,1159 7.546,1160 5.335,1161 19.718,1162 5.022,1163 15.601,1164 1.57,1165 1.547,1166 1.572,1167 1.547,1168 1.541,1169 2.07,1170 0.372,1171 4.648,1172 1.427,1173 4.133,1174 4.167,1175 4.304,1176 4.047,1177 8.513,1178 4.038,1179 3.955,1180 3.978,1181 3.977,1182 3.879,1183 7.999,1184 3.88,1185 3.826,1186 3.826,1187 3.904,1188 3.819,1189 7.999,1190 3.773,1191 3.386,1192 3.443,1193 3.332,1194 3.195,1195 7.437,1196 3.217,1197 3.318,1198 3.364,1199 3.312,1200 3.045,1201 5.059,1202 3.072,1203 3.263,1204 3.313,1205 3.171,1206 2.985,1207 4.898,1208 3.026,1209 3.129,1210 3.185,1211 3.114,1212 2.925,1213 4.769,1214 2.948,1215 2.893,1216 2.958,1217 2.781,1218 2.762,1219 4.62,1220 2.756,1221 0.145,1222 0.14,1223 0.226,1224 0.133,1225 0.105,1226 4.625,1227 0.142,1228 4.471,1229 0.12,1230 7.247,1231 0.382,1232 4.255,1233 0.094,1234 3.375,1235 4.546,1236 3.825,1237 12.232,1238 3.022,1239 1.923,1240 1.9,1241 2.024,1242 2.019,1243 1.17,1244 2.018,1245 1.918,1246 1.891,1247 2.008,1248 2.008,1249 1.125,1250 2.011,1251 1.559,1252 1.545,1253 1.652,1254 1.744,1255 0.753,1256 1.715,1257 1.519,1258 1.504,1259 1.519,1260 1.696,1261 0.682,1262 1.678,1263 1.188,1264 1.14,1265 1.421,1266 1.469,1267 0.557,1268 1.449,1269 1.107,1270 1.066,1271 1.275,1272 1.439,1273 0.288,1274 1.343,1275 1.069,1276 1.02,1277 1.205,1278 1.252,1279 0.265,1280 1.272,1281 0.91,1282 0.857,1283 1.089,1284 1.106,1285 0.162,1286 1.122,1287 4.174,1289 5.533,1290 3.045,1291 7.074,1292 5.416,1293 8.698,1294 7.535,1295 10.365,1299 39.546,1301 5.449,1303 -0.35,1306 5.587,1310 -4.498,1314 30.518,1315 82.078,1316 160.826,1317 186.045,1318 212.574,1319 222.574,1320 224.574,1321 64.461,1322 7.735,1323 70.14,1324 98.38,1325 22,1326 12.748,1327 4.524,1328 3.644,1329 44.6,1330 112,1331 102,1332 0.192,1333 186.871,1334 322.42,1335 447.724,1336 24834,1337 7,1338 20.596,1339 0.71,1340 0.539,1341 18.449,1342 15.628,1343 13.842,1344 0.433,1345 0.291,1346 8.382,1347 12.734,1348 8.209,1349 6.728,1350 13.039,1351 9.3,1352 13.443,1353 0.286,1354 0.154,1355 12.064,1356 7.22,1357 10.566,1358 0.17,1359 0.088,1360 10.758,1361 5.436,1362 9.186,1363 0.111,1364 0.047,1365 9.217,1366 3.911,1367 7.026,1368 0.072,1369 0.026,1370 7.199,1371 2.476,1372 0.299,1373 92.152,1374 0.218,1375 27.298,1376 0.534,1377 158,1378 681.267,1379 212.504,1380 595.435,1381 783.19,1382 552,1383 188,1384 539.017,1385 236.755,1386 541.391,1387 818.42,1388 508,1389 5.4}
{0 CHEMBL481968,1 2.033,2 13.594,3 4.115,4 16.931,5 115.131,6 12.428,7 0.5,8 3.961,9 4.035,10 3.922,11 3.522,12 5.387,13 3.543,14 4.399,15 4.487,16 4.37,17 3.886,18 5.94,19 3.892,20 4.653,21 4.775,22 4.497,23 3.974,24 6.336,25 3.965,26 4.68,27 4.829,28 4.5,29 3.854,30 6.293,31 3.894,32 4.601,33 4.753,34 4.285,35 3.744,36 6.317,37 3.818,38 4.584,39 4.708,40 4.322,41 3.766,42 6.508,43 3.824,44 4.57,45 4.714,46 4.354,47 3.736,48 6.482,49 3.759,50 4.377,51 4.507,52 4.516,53 3.694,54 6.064,55 3.655,56 0.428,57 0.842,58 1.623,59 3.969,60 57.982,61 2.928,62 0.752,63 1.305,64 3.433,65 6.641,66 106.52,67 5.09,68 1.346,69 1.787,70 26.692,71 9.949,72 159.713,73 7.176,74 1.351,75 1.733,76 26.297,77 9.869,78 174.865,79 6.695,80 1.371,81 1.545,82 14.79,83 7.596,84 217.966,85 6.157,86 1.51,87 1.685,88 18.326,89 8.296,90 233.766,91 5.786,92 1.624,93 1.575,94 13.02,95 8.377,96 266.853,97 5.85,98 1.137,99 1.19,100 15.794,101 8.427,102 167.028,103 4.993,104 69,105 48,106 0.346,107 0.721,108 0.851,109 0.928,110 0.928,111 0.928,112 3.502,113 0.864,114 -3.57,115 -3.55,116 -3.38,119 44.4,125 1,142 6,143 2,144 6,152 2,155 1,158 2,167 1,168 1,170 1,172 4,173 1,175 4,178 2,180 3,183 4,184 1,187 2,188 3,191 2,193 7,194 1,196 2,197 1,199 1,200 4,203 1,204 1,205 5,208 1,213 2,214 1,218 2,221 3,222 1,224 1,225 3,228 3,229 1,230 1,231 1,233 4,234 2,238 4,241 2,242 2,243 2,246 5,250 2,251 1,258 3,259 1,263 1,264 3,265 1,267 2,269 3,272 2,273 1,276 1828,277 20.938,278 20.938,279 20.938,280 20.938,281 20.938,282 18.24,283 23.485,284 12.038,285 21.415,286 16.619,287 16.619,288 16.619,289 16.619,290 16.619,291 12.488,292 26.737,293 5.581,294 17.554,295 3.459,296 1.259,297 0.495,298 0.044,299 0.044,300 0.044,301 4.176,306 1,307 909,308 4,311 109.267,312 241.737,319 2.156,320 74.063,323 0.75,324 0.83,325 0.83,326 0.3,328 0.83,329 1,330 0.65,331 74.4,332 435,333 4.589,334 3.671,335 6.804,336 4.19,337 3.226,338 4.319,339 1.437,340 11.107,341 3.108,342 4.248,343 3.558,344 6.105,345 3.883,346 2.878,347 3.873,348 0.98,349 8.827,350 2.887,351 4.221,352 3.39,353 6.08,354 3.777,355 2.839,356 3.854,357 0.765,358 8.796,359 2.645,360 3.905,361 3.198,362 6.006,363 3.526,364 2.555,365 3.303,366 0.4,367 8.296,368 2.463,369 3.631,370 2.777,371 5.476,372 3.282,373 2.289,374 2.926,376 6.742,377 2.268,378 3.562,379 2.674,380 5.23,381 3.162,382 2.219,383 2.854,385 6.471,386 2.081,387 3.421,388 2.552,389 4.958,390 2.907,391 2.059,392 2.724,394 5.78,395 1.56,396 2.972,397 2.259,398 4.475,399 2.514,400 1.572,401 2.05,403 4.073,404 1.434,405 2.827,406 1.889,407 4.133,408 2.404,409 1.439,410 1.924,412 3.644,413 1.366,414 2.804,415 1.851,416 4.102,417 2.328,418 1.357,419 1.844,421 3.473,422 1.295,423 2.58,424 1.803,425 3.506,426 1.984,427 0.999,428 1.455,430 2.273,431 0.972,432 2.17,433 1.279,434 3.318,435 1.671,436 0.677,437 0.989,439 1.66,440 0.668,441 1.804,442 0.963,443 3.268,444 1.464,445 0.553,446 0.657,448 1.372,449 0.451,450 1.53,451 0.926,452 3.002,453 1.227,454 0.346,455 0.388,457 0.746,458 0.297,459 1.466,460 0.665,461 2.806,462 1.169,463 0.272,464 0.317,466 0.421,467 0.238,468 15.367,469 0.48,470 0.966,471 0.03,472 41.25,473 1.289,474 21,475 0.656,476 20.25,477 0.633,478 27.171,479 0.849,480 34.433,481 0.765,482 36.708,483 1.147,484 8.721,485 0.273,486 6.485,487 0.203,488 0.249,490 0.39,494 3,496 0.754,497 0.822,498 0.478,499 0.578,500 0.686,501 0.671,502 0.757,503 1.032,504 0.604,505 0.727,506 0.674,507 0.855,508 0.845,509 1.05,510 1.017,511 1.01,512 0.813,513 1.049,514 1.186,515 1.189,516 0.749,517 0.898,518 1.206,519 0.99,520 1.092,521 1.107,522 0.317,523 0.568,524 1.149,525 0.812,526 1.069,527 1.12,528 0.615,529 0.73,530 1.125,531 0.902,532 1.179,533 1.026,534 0.591,535 0.618,536 1.237,537 0.83,538 1.204,539 1.051,540 1.204,541 1.065,542 1.203,543 0.908,544 7.5,545 0.186,546 4.444,547 2.597,548 2.584,549 1.365,550 0.909,551 0.613,552 0.479,553 0.277,554 13843,555 63079,556 1.958,557 28.9,559 8,561 1,562 4,567 1.744,568 1.778,569 3.661,570 1.694,575 1,577 91.47,578 2.033,579 4.232,580 4.997,581 5.447,582 5.447,583 5.447,584 3.215,585 4.601,586 4.967,587 3.857,588 1913.15,589 8.69,590 28380.5,595 247.133,596 1.561,597 4.895,598 0.221,599 0.007,600 0.093,601 0.051,602 0.055,603 0.03,604 0.02,605 0.015,606 0.014,607 0.009,608 0.514,609 0.17,610 0.88,611 0.906,612 169.471,613 -0.114,614 0.039,615 -0.009,616 0.051,617 -0.105,618 0.08,619 -0.036,620 -0.143,622 -0.006,623 -0.007,624 -0.042,625 0.077,626 -0.046,627 -0.077,628 -0.064,629 0.051,630 -0.136,631 -0.168,632 -0.122,633 -0.013,634 -0.082,635 -0.179,636 -0.078,637 -0.062,638 -0.055,639 0.031,640 0.003,641 -0.058,642 0.066,643 0.084,644 0.052,645 -0.041,646 -0.004,647 0.097,648 -0.063,649 0.034,650 0.168,651 0.005,652 0.132,653 0.054,654 0.064,655 -0.148,656 -0.041,657 0.034,658 0.087,659 -0.136,660 0.092,661 3.275,662 6.66,663 0.531,664 36.68,665 1.061,666 1.138,667 2.342,668 5.486,669 0.735,670 3.555,671 3.892,672 4.143,673 4.344,674 4.533,675 4.595,676 4.554,677 4.595,678 4.7,679 4.736,680 7.674,681 0.729,682 559.26,683 3.555,684 5.106,685 5.953,686 6.83,687 7.698,688 8.578,689 9.452,690 10.334,691 11.213,692 12.097,693 6.7,700 1,701 1,702 1,709 6,712 1,714 10,716 17,725 1,728 1,734 4,735 45,737 20,738 2,739 34,741 47,742 20,743 16,744 8,745 4,746 3,748 3,749 3,751 1,754 1,762 19,763 1,767 3,772 2,774 1,775 1,776 2,781 3,782 1,783 13,784 11,785 4,786 12,787 1,788 1,792 3,797 1,798 5,799 1,815 1,816 2,841 2,843 3,849 3,850 1,851 32,857 2,858 1,860 2,873 4,874 11.1,875 1,876 1,877 2,879 1,881 18,882 8.005,883 7.111,884 2.298,886 3.362,887 1.455,888 0.953,889 7.682,890 10.745,891 3.839,892 4.457,893 5.016,894 5.543,895 6.003,896 6.259,897 6.436,898 6.748,899 7.136,900 7.465,901 1,902 51,903 12.073,905 5.53,906 8.598,907 20.758,909 16.422,911 3.098,912 99.12,916 105.94,917 180.106,918 52.562,920 145.164,921 44.88,922 56.782,923 123.324,924 251.104,925 97.442,927 17.888,928 99.541,929 119.406,930 85.088,931 55.778,932 150.951,934 105.94,935 175.886,936 190.044,938 56.782,939 150.82,940 102.481,941 42.683,943 52.562,944 114.277,945 9.047,946 56.782,947 150.82,948 197.726,949 123.324,950 56.782,952 105.94,953 57.42,954 122.687,955 35.899,956 206.707,957 105.94,958 242.606,959 123.324,960 56.782,961 0.589,962 0.349,963 0.176,964 0.096,965 21,966 12,967 0.149,968 7,970 1,971 4.177,972 281.678,974 17,975 160,981 23.939,982 10.269,983 5.568,985 242.606,986 7.275,989 4.993,991 -5.637,993 121.266,994 528.653,995 45.5,1000 23.49,1002 0.702,1003 3.465,1004 -2.448,1007 47.734,1008 51.188,1009 0.37,1010 0.771,1011 0.91,1012 0.992,1013 0.992,1014 0.992,1015 5.083,1016 1.572,1017 5.964,1018 5.78,1019 4.575,1020 5.145,1021 2.144,1022 6.786,1023 4.476,1024 6.32,1025 1.439,1026 7.545,1027 4.073,1028 4.29,1029 5.075,1031 7.724,1032 4.115,1033 7.644,1034 1.357,1035 9.223,1036 3.644,1037 6.192,1038 7.36,1039 2.493,1040 10.806,1041 6.036,1042 9.003,1043 0.999,1044 10.955,1045 3.473,1046 6.686,1047 8.07,1049 12.528,1050 6.471,1051 10.389,1052 0.677,1053 12.722,1054 2.273,1055 8.091,1056 9.854,1057 3.033,1058 15.155,1059 7.881,1060 11.794,1061 0.553,1062 14.511,1063 1.66,1064 8.925,1065 10.918,1067 17.22,1068 8.668,1069 13.215,1070 0.346,1071 16.317,1072 1.372,1073 10.15,1074 12.504,1075 3.669,1076 19.691,1077 9.885,1078 3.226,1079 0.272,1080 18.137,1081 0.746,1082 11.143,1083 13.745,1085 21.921,1086 10.836,1087 2.878,1088 11.107,1089 19.968,1090 0.421,1091 12.303,1092 15.244,1093 4.353,1094 24.337,1095 11.977,1096 2.839,1097 8.827,1098 21.807,1099 4.319,1100 13.37,1101 16.577,1103 26.651,1104 13.007,1105 2.555,1106 8.796,1107 23.655,1108 3.873,1109 14.51,1110 18.038,1111 5.058,1112 29.05,1113 14.121,1114 2.289,1115 8.296,1116 25.509,1117 3.854,1118 15.616,1119 19.42,1121 31.407,1122 15.19,1123 2.219,1124 6.742,1125 27.369,1126 3.303,1127 16.753,1128 20.867,1129 5.774,1130 33.804,1131 16.296,1132 2.059,1133 6.471,1134 29.235,1135 2.926,1136 17.878,1137 22.276,1139 36.183,1140 17.386,1141 13654,1142 29306,1143 21.501,1144 33.091,1145 51.309,1146 53.819,1147 53.862,1148 50.922,1149 50.611,1150 67.019,1151 7.162,1152 147.486,1153 47.495,1154 5.384,1155 5.671,1156 6.36,1157 5.224,1158 5.226,1159 7.319,1160 2.873,1161 18.681,1162 5.108,1163 21.249,1164 1.509,1165 1.583,1166 1.584,1167 1.498,1168 1.489,1169 1.971,1170 0.211,1171 4.338,1172 1.397,1173 4.019,1174 4.04,1175 10.695,1176 4.027,1177 8.239,1178 3.938,1179 3.932,1180 3.936,1181 3.993,1182 3.875,1183 8.201,1184 3.81,1185 3.856,1186 3.875,1187 3.895,1188 3.77,1189 8.161,1190 3.796,1191 3.47,1192 3.526,1193 3.767,1194 3.372,1195 7.475,1196 3.255,1197 3.304,1198 3.298,1199 3.419,1200 3.191,1201 7.43,1202 3.088,1203 3.188,1204 3.223,1205 3.282,1206 3.039,1207 6.458,1208 3.008,1209 3.045,1210 3.105,1211 3.098,1212 2.915,1213 6.351,1214 2.866,1215 2.912,1216 2.959,1217 2.886,1218 2.733,1219 4.991,1220 2.735,1221 0.135,1222 0.108,1223 0.2,1224 0.123,1225 0.095,1226 4.589,1227 0.127,1228 3.671,1229 0.042,1230 6.804,1231 0.327,1232 4.19,1233 0.091,1234 3.226,1235 4.319,1236 1.437,1237 11.107,1238 3.108,1239 1.938,1240 1.921,1241 1.979,1242 2.047,1243 1.126,1244 2.029,1245 1.832,1246 1.816,1247 1.877,1248 1.91,1249 1.027,1250 1.911,1251 1.571,1252 1.542,1253 1.726,1254 1.784,1255 0.853,1256 1.723,1257 1.491,1258 1.483,1259 1.594,1260 1.727,1261 0.613,1262 1.721,1263 1.252,1264 1.222,1265 1.379,1266 1.5,1267 0.382,1268 1.46,1269 1.049,1270 1.039,1271 1.155,1272 1.381,1273 0.189,1274 1.302,1275 0.956,1276 0.902,1277 1.129,1278 1.22,1279 0.133,1280 1.212,1281 0.861,1282 0.805,1283 1.107,1284 1.106,1285 0.078,1286 1.081,1287 4.234,1289 5.565,1290 2.398,1291 7.077,1292 4.595,1293 8.679,1294 6.581,1295 10.33,1299 43.249,1300 1.853,1302 18.335,1303 -0.425,1305 4.268,1314 32.793,1315 91.47,1316 190.462,1317 224.869,1318 245.133,1319 245.133,1320 245.133,1321 123.595,1322 7.383,1323 124.16,1324 124.16,1325 17,1326 12.631,1327 4.392,1328 3.644,1329 61.306,1330 147,1331 166,1332 0.203,1333 209.779,1334 376.18,1335 503.621,1336 15897,1337 8.9,1338 23.413,1339 0.732,1340 0.562,1341 22.303,1342 17.984,1343 15.206,1344 0.447,1345 0.288,1346 8.562,1347 13.566,1348 8.428,1349 6.905,1350 14.823,1351 9.791,1352 13.933,1353 0.29,1354 0.155,1355 13.689,1356 7.439,1357 11.612,1358 0.187,1359 0.076,1360 10.886,1361 4.738,1362 8.852,1363 0.116,1364 0.04,1365 8.189,1366 3.01,1367 6.8,1368 0.074,1369 0.021,1370 6.798,1371 1.934,1372 0.323,1373 112.018,1374 0.216,1375 30.17,1376 0.546,1377 164,1378 809.799,1379 341.853,1380 729.459,1381 925.52,1382 670,1383 192,1384 608.753,1385 269.21,1386 605.91,1387 886.65,1388 567,1389 4.523}
{0 CHEMBL481969,1 2.193,2 15.278,3 5.288,4 27.964,5 134.082,6 13.036,7 0.474,8 4.05,9 4.113,10 4.159,11 3.716,12 5.422,13 3.687,14 4.521,15 4.596,16 4.563,17 4.093,18 6.136,19 4.053,20 4.823,21 4.936,22 4.703,23 4.209,24 6.465,25 4.163,26 4.856,27 4.994,28 4.675,29 4.063,30 6.582,31 4.068,32 4.769,33 4.912,34 4.503,35 3.939,36 6.5,37 3.982,38 4.725,39 4.851,40 4.526,41 3.938,42 6.615,43 3.975,44 4.693,45 4.832,46 4.482,47 3.892,48 6.56,49 3.885,50 4.519,51 4.656,52 4.672,53 3.849,54 6.187,55 3.787,56 0.39,57 0.914,58 3.751,59 4.643,60 71.799,61 3.382,62 0.8,63 1.427,64 9.427,65 7.845,66 145.885,67 6.191,68 1.418,69 2.019,70 37.986,71 12.577,72 228.274,73 8.491,74 1.653,75 1.96,76 39.605,77 12.878,78 261.137,79 8.73,80 1.614,81 1.731,82 22.444,83 9.893,84 276.372,85 7.673,86 1.638,87 1.851,88 27.199,89 10.22,90 264.332,91 7.487,92 1.766,93 1.744,94 19.119,95 9.791,96 306.063,97 6.512,98 1.224,99 1.392,100 23.818,101 10.354,102 217.953,103 6.169,104 102,105 55,106 0.363,107 0.689,108 0.812,109 0.894,110 0.894,111 0.894,112 3.615,113 1.008,114 -5.18,115 -5.08,116 -4.75,119 44,125 1,142 8,143 2,144 8,155 1,158 2,167 1,168 1,170 1,172 5,173 1,174 1,175 2,178 2,180 3,183 8,184 1,187 1,188 6,193 5,194 1,196 6,197 1,199 2,200 6,203 3,204 1,205 3,208 1,212 2,213 3,214 1,218 4,221 3,222 1,224 1,225 8,228 2,230 3,231 1,233 3,234 2,238 7,241 1,242 2,243 2,246 3,250 4,251 1,255 1,258 3,259 1,263 1,264 6,267 2,269 2,272 5,276 2572,277 22.955,278 22.955,279 22.955,280 22.955,281 22.955,282 19.748,283 22.59,284 13.132,285 23.806,286 18.652,287 18.652,288 18.652,289 18.652,290 18.652,291 13.809,292 23.376,293 6.185,294 20.281,295 3.451,296 1.481,297 0.735,298 0.24,299 0.24,300 0.24,301 4.287,302 1,306 1,307 1146,308 4.69,312 433.987,319 2.238,320 90.163,323 0.75,324 0.83,325 0.83,326 0.3,328 0.83,329 1,330 0.65,331 82.733,332 550,333 4.854,334 5.268,335 7.306,336 4.253,337 3.389,338 4.704,339 3.359,340 12.497,341 3.108,342 4.588,343 3.671,344 6.804,345 4.19,346 3.225,347 4.319,348 1.714,349 11.107,350 2.895,351 4.221,352 3.578,353 6.104,354 3.777,355 2.839,356 3.873,357 1.437,358 8.799,359 2.645,360 3.907,361 3.39,362 6.006,363 3.529,364 2.557,365 3.4,366 0.4,367 8.296,368 2.466,369 3.846,370 3.198,371 5.476,372 3.364,373 2.428,374 3.304,376 6.744,377 2.295,378 3.628,379 2.929,380 5.245,381 3.215,382 2.264,383 2.914,385 6.476,386 2.09,387 3.539,388 2.676,389 5,390 3.14,391 2.192,392 2.778,394 5.901,395 2.042,396 3.415,397 2.615,398 4.958,399 2.905,400 2.053,401 2.701,403 5.777,404 1.551,405 3.06,406 2.55,407 4.565,408 2.51,409 1.584,410 2.256,412 4.513,413 1.4,414 2.946,415 2.258,416 4.466,417 2.47,418 1.531,419 2.027,421 4.039,422 1.381,423 2.811,424 1.882,425 4.128,426 2.334,427 1.37,428 1.903,430 3.513,431 1.3,432 2.71,433 1.812,434 3.564,435 2.094,436 1.119,437 1.62,439 2.524,440 1.079,441 2.5,442 1.279,443 3.414,444 2,445 1,446 1.5,448 2.275,449 1,450 1.806,451 1.152,452 3.331,453 1.484,454 0.566,455 0.667,457 1.427,458 0.469,459 1.534,460 1,461 3.185,462 1.232,463 0.362,464 0.398,466 0.855,467 0.301,468 17.914,469 0.498,470 1.287,471 0.036,472 48.25,473 1.34,474 26,475 0.722,476 22.25,477 0.618,478 31.979,479 0.888,480 38.486,481 0.77,482 44.708,483 1.242,484 9.714,485 0.27,486 7.171,487 0.199,488 0.272,489 0.047,490 0.335,494 3,496 0.615,497 0.829,498 0.505,499 0.671,500 0.65,501 0.689,502 0.651,503 1.015,504 0.63,505 0.776,506 0.628,507 0.89,508 0.981,509 1.034,510 0.997,511 1.044,512 0.993,513 1.107,514 1.139,515 1.103,516 0.75,517 0.915,518 1.135,519 1.023,520 1.118,521 1.029,522 0.303,523 0.531,524 1.174,525 0.804,526 1.026,527 1.131,528 0.593,529 0.755,530 1.019,531 0.902,532 1.275,533 1.038,534 0.621,535 0.638,536 1.246,537 0.9,538 1.232,539 1.078,540 1.15,541 1.071,542 1.233,543 0.922,544 10,545 0.301,546 5.556,547 3.25,548 2.791,549 1.833,550 0.975,551 0.778,552 0.567,553 0.301,554 19576,555 93796,556 1.925,557 28,559 10,561 1,562 3,567 1.772,568 1.735,569 3.816,570 0.938,575 1,577 109.663,578 2.193,579 4.163,580 4.909,581 5.404,582 5.404,583 5.404,584 3.337,585 4.781,586 5.141,587 4.027,588 2536.74,589 9.024,590 41815.8,595 282.193,596 1.716,597 5.05,598 0.263,599 0.009,600 0.101,601 0.055,602 0.051,603 0.035,604 0.018,605 0.017,606 0.015,607 0.008,608 0.573,609 0.17,610 0.88,611 0.801,612 199.107,613 -0.03,614 0.053,616 0.021,617 -0.086,618 0.069,619 0.042,620 -0.125,621 -0.015,622 -0.026,623 0.072,624 -0.077,625 -0.077,626 -0.058,627 -0.102,628 -0.11,629 -0.079,630 -0.185,631 -0.095,632 -0.074,633 -0.035,634 -0.084,635 -0.081,636 -0.089,637 -0.052,638 -0.025,639 0.054,640 0.062,641 -0.085,642 0.088,643 0.1,644 -0.012,645 -0.018,646 -0.032,647 0.095,648 -0.024,649 -0.059,650 0.133,651 -0.018,652 0.115,653 -0.034,654 -0.005,655 -0.166,656 -0.036,657 0.032,658 0.055,659 -0.163,660 0.102,661 4.958,662 6.742,663 0.5,664 43.889,665 1.06,666 1.129,667 3.954,668 15.636,669 0.767,670 3.664,671 4.025,672 4.234,673 4.431,674 4.635,675 4.691,676 4.635,677 4.663,678 4.736,679 4.718,680 8.61,681 0.747,682 651.81,683 3.664,684 5.231,685 6.071,686 6.957,687 7.818,688 8.707,689 9.575,690 10.466,691 11.338,692 12.229,693 6,700 1,701 1,702 1,709 8,714 10,716 18,725 1,728 1,734 5,735 50,737 23,738 3,739 38,741 52,742 22,743 18,744 10,745 8,746 2,748 3,749 3,750 1,751 1,762 21,763 1,767 5,770 1,772 4,774 1,775 1,776 2,781 3,783 14,784 11,785 3,786 14,787 3,788 1,792 3,797 1,798 5,816 3,841 1,843 3,845 1,848 1,849 3,850 1,851 36,854 1,857 1,858 1,860 2,873 5,874 10,876 1,877 4,881 20.75,882 8.948,883 7.792,884 2.547,886 3.494,887 1.463,888 0.979,889 9.001,890 11.045,891 3.97,892 4.62,893 5.107,894 5.631,895 6.134,896 6.376,897 6.541,898 6.764,899 7.113,900 7.365,901 1,902 59,903 13.943,905 6.773,906 8.629,907 23.523,909 19.089,911 3.129,912 112.648,916 129.482,917 200.158,918 52.562,919 39.149,920 137.286,921 44.88,922 62.828,923 137.33,924 305.917,925 97.442,927 18.788,928 81.856,929 163.719,930 80.632,931 44.88,932 174.493,933 39.149,934 129.482,935 189.892,936 182.166,937 45.195,938 56.782,939 174.362,940 137.286,943 53.462,944 127.383,945 54.242,946 56.782,947 174.362,948 189.848,949 182.525,950 56.782,951 6.046,952 129.482,953 52.473,954 141.639,955 35.899,956 237.978,957 129.482,958 234.728,959 182.525,960 56.782,961 0.598,962 0.34,963 0.169,964 0.094,965 24,966 14,967 0.154,968 8,970 1,971 4.45,972 329.31,974 18,975 180.117,980 1,981 27.93,982 11.602,983 6.985,985 234.728,986 9.582,991 -5.867,993 78.582,994 603.518,995 52,998 -4.042,1000 48.181,1002 0.604,1003 3.382,1004 -2.747,1007 53.018,1008 56.467,1009 0.389,1010 0.738,1011 0.87,1012 0.957,1013 0.957,1014 0.957,1015 5.228,1016 2.053,1017 6.116,1018 5.901,1019 4.71,1020 5.308,1021 3.484,1022 6.971,1023 4.551,1024 6.496,1025 1.584,1026 7.723,1027 5.777,1028 4.575,1029 5.447,1030 1.593,1031 8.141,1032 4.25,1033 7.855,1034 1.531,1035 9.437,1036 4.513,1037 6.395,1038 7.617,1039 5.601,1040 11.179,1041 6.086,1042 9.251,1043 1.37,1044 11.215,1045 4.039,1046 7.013,1047 8.514,1048 3.49,1049 13.157,1050 6.536,1051 10.677,1052 1.119,1053 13.035,1054 3.513,1055 8.4,1056 10.258,1057 7.951,1058 15.808,1059 7.917,1060 12.127,1061 1,1062 14.886,1063 2.524,1064 9.341,1065 11.487,1066 5.885,1067 18.104,1068 8.704,1069 13.596,1070 0.566,1071 16.759,1072 2.275,1073 10.586,1074 13.084,1075 10.351,1076 20.643,1077 9.91,1078 3.389,1079 0.362,1080 18.651,1081 1.427,1082 11.669,1083 14.467,1084 8.462,1085 23.063,1086 10.858,1087 3.225,1088 12.497,1089 20.557,1090 0.855,1091 12.87,1092 16.011,1093 12.762,1094 25.572,1095 11.996,1096 2.839,1097 11.107,1098 22.476,1099 4.704,1100 14.015,1101 17.467,1102 11.056,1103 28.042,1104 13.023,1105 2.557,1106 8.799,1107 24.404,1108 4.319,1109 15.206,1110 18.994,1111 15.175,1112 30.546,1113 14.136,1114 2.428,1115 8.296,1116 26.34,1117 3.873,1118 16.38,1119 20.486,1120 13.632,1121 33.037,1122 15.203,1123 2.264,1124 6.744,1125 28.283,1126 3.4,1127 17.572,1128 22.01,1129 17.589,1130 35.543,1131 16.309,1132 2.192,1133 6.476,1134 30.231,1135 3.304,1136 18.76,1137 23.52,1138 16.188,1139 38.045,1140 17.398,1141 19280,1142 42384,1143 23.581,1144 38.358,1145 57.678,1146 62.113,1147 60.314,1148 57.521,1149 57.034,1150 76.822,1151 13.819,1152 169.681,1153 52.09,1154 5.73,1155 7.268,1156 6.842,1157 5.358,1158 5.389,1159 7.704,1160 6.685,1161 20.071,1162 5.108,1163 25.786,1164 1.518,1165 1.635,1166 1.587,1167 1.514,1168 1.501,1169 2.022,1170 0.364,1171 4.465,1172 1.371,1173 4.093,1174 4.071,1175 10.695,1176 4.107,1177 8.239,1178 4.006,1179 4.003,1180 4.013,1181 4.743,1182 4.023,1183 8.201,1184 3.927,1185 3.858,1186 3.878,1187 3.986,1188 3.871,1189 8.161,1190 3.807,1191 3.698,1192 3.708,1193 3.925,1194 3.63,1195 7.715,1196 3.58,1197 3.452,1198 3.479,1199 3.767,1200 3.372,1201 7.475,1202 3.243,1203 3.293,1204 3.277,1205 3.47,1206 3.189,1207 7.427,1208 3.063,1209 3.144,1210 3.174,1211 3.298,1212 3.015,1213 6.999,1214 2.993,1215 2.946,1216 2.989,1217 3.164,1218 2.887,1219 6.351,1220 2.828,1221 0.128,1222 0.139,1223 0.192,1224 0.112,1225 0.089,1226 4.854,1227 0.124,1228 5.268,1229 0.088,1230 7.306,1231 0.329,1232 4.253,1233 0.082,1234 3.389,1235 4.704,1236 3.359,1237 12.497,1238 3.108,1239 1.973,1240 1.993,1241 1.979,1242 2.05,1243 1.252,1244 2.071,1245 1.938,1246 1.92,1247 1.958,1248 2.018,1249 1.126,1250 2.027,1251 1.832,1252 1.816,1253 1.877,1254 1.908,1255 1.027,1256 1.91,1257 1.604,1258 1.607,1259 1.627,1260 1.772,1261 0.888,1262 1.772,1263 1.293,1264 1.262,1265 1.36,1266 1.537,1267 0.385,1268 1.52,1269 1.072,1270 1.082,1271 1.181,1272 1.403,1273 0.218,1274 1.319,1275 1.025,1276 1.002,1277 1.129,1278 1.25,1279 0.199,1280 1.238,1281 0.886,1282 0.821,1283 1.108,1284 1.069,1285 0.167,1286 1.107,1287 4.344,1289 5.694,1291 7.225,1293 8.842,1295 10.507,1298 5.703,1299 43.476,1300 1.836,1302 9.45,1303 -1.006,1305 4.095,1314 37.334,1315 109.663,1316 208.154,1317 245.438,1318 270.193,1319 270.193,1320 270.193,1321 163.66,1322 7.552,1323 124.93,1324 133.31,1325 18,1326 12.761,1327 4.585,1328 3.907,1329 74.067,1330 186,1331 198,1332 0.19,1333 245.5,1334 441.86,1335 590.781,1336 20480,1337 10,1338 26.621,1339 0.739,1340 0.596,1341 26.26,1342 21.459,1343 16.885,1344 0.444,1345 0.336,1346 9.711,1347 14.251,1348 9.342,1349 7.648,1350 17.612,1351 12.773,1352 16.363,1353 0.298,1354 0.195,1355 17.828,1356 10.748,1357 12.681,1358 0.186,1359 0.104,1360 13.378,1361 7.098,1362 9.85,1363 0.119,1364 0.055,1365 10.411,1366 4.566,1367 7.511,1368 0.074,1369 0.03,1370 8.488,1371 3.099,1372 0.307,1373 132.955,1374 0.206,1375 33.393,1376 0.501,1377 186,1378 888.448,1379 414.026,1380 862.027,1381 1081.84,1382 784,1383 216,1384 665.895,1385 344.886,1386 710.205,1387 1029.83,1388 662,1389 4.523}
{0 CHEMBL482767,1 1.911,2 12.821,3 3.954,4 15.631,5 115.077,6 10.023,7 0.677,8 3.9,9 4.002,10 3.79,11 3.557,12 5.086,13 3.509,14 4.37,15 4.502,16 4.191,17 3.935,18 5.589,19 3.853,20 4.541,21 4.719,22 4.088,23 3.923,24 5.641,25 3.819,26 4.495,27 4.685,28 4.052,29 3.822,30 5.678,31 3.727,32 4.443,33 4.64,34 3.791,35 3.735,36 5.58,37 3.621,38 4.336,39 4.53,40 3.886,41 3.695,42 5.509,43 3.578,44 4.273,45 4.464,46 3.926,47 3.724,48 5.366,49 3.574,50 4.168,51 4.332,52 3.989,53 3.669,54 5.342,55 3.529,56 0.103,57 0.706,58 4.9,59 3.48,60 7.504,61 3.48,62 0.333,63 1.136,64 11.899,65 6.166,66 22.431,67 6.421,68 0.391,69 1.253,70 25.708,71 8.675,72 33.949,73 8.445,74 0.427,75 1.185,76 22.196,77 7.981,78 33.241,79 8.223,80 0.435,81 1.097,82 23.693,83 7.821,84 38.98,85 7.179,86 0.411,87 0.976,88 18.838,89 7.129,90 43.235,91 7.339,92 0.355,93 0.963,94 21.498,95 7.372,96 36.744,97 6.648,98 0.338,99 0.879,100 20.255,101 6.607,102 27.345,103 6.347,104 5,105 42,106 0.327,107 0.701,108 0.858,109 0.912,110 0.912,111 0.912,112 3.373,113 1.011,114 -4.62,115 -4.54,116 -4.27,119 41.9,121 1,125 1,142 5,144 2,145 1,146 1,147 1,148 1,151 1,152 2,159 1,162 1,172 2,174 1,175 2,178 4,179 1,180 4,183 7,188 3,193 2,196 2,199 1,200 5,203 2,205 8,208 1,213 1,216 1,218 1,221 1,225 7,229 1,230 3,233 3,237 1,238 1,246 2,250 4,253 2,254 1,258 5,263 1,264 1,269 1,272 1,276 1280,277 19.17,278 19.17,279 19.17,280 19.17,281 19.17,282 16.489,283 23.036,284 11.526,285 20.05,286 15.364,287 15.364,288 15.364,289 15.364,290 15.364,291 11.352,292 35.147,293 5.521,294 16.865,295 3.516,296 1.328,297 0.41,298 0.093,299 0.093,300 0.093,301 4.073,302 1,305 1,306 1,307 789,308 3.391,311 152.453,312 191.178,315 129.119,319 2.276,320 23.926,323 1,324 1,325 1,326 0.4,328 0.83,329 1,330 0.75,331 60.333,332 359,333 4.509,334 3.564,335 6.512,336 3.972,337 3.045,338 4.457,339 1.656,340 10.214,341 2.812,342 4.148,343 3.091,344 5.711,345 3.702,346 2.794,347 3.746,348 0.4,349 8.075,350 2.577,351 4.054,352 2.967,353 5.555,354 3.581,355 2.666,356 3.656,357 0.247,358 7.61,359 2.381,360 3.629,361 2.853,362 5.205,363 3.242,364 2.299,365 2.883,367 6.344,368 2.146,369 3.498,370 2.327,371 5.109,372 3.057,373 2.126,374 2.861,376 6.221,377 1.973,378 3.246,379 2.277,380 4.8,381 2.837,382 1.937,383 2.469,385 5.435,386 1.695,387 3.059,388 2.129,389 4.448,390 2.607,391 1.663,392 2.321,394 4.476,395 1.514,396 3.048,397 1.548,398 4.132,399 2.408,400 1.548,401 2.199,403 3.692,404 1.324,405 2.658,406 1.338,407 3.52,408 2.166,409 1.191,410 1.728,412 2.656,413 1.14,414 2.5,415 1.277,416 3.478,417 2.092,418 1.153,419 1.5,421 2.579,422 1.071,423 2.374,424 1,425 3.392,426 1.893,427 1,428 1.35,430 2.23,431 0.875,432 2.201,433 0.847,434 3.28,435 1.61,436 0.74,437 1.066,439 1.774,440 0.634,441 1.946,442 0.595,443 3.102,444 1.42,445 0.556,446 0.757,448 1.365,449 0.472,450 1.207,451 0.571,452 2.879,453 0.884,454 -0.017,455 -0.02,457 -0.046,458 -0.015,459 1.18,460 0.228,461 2.577,462 0.806,463 -0.129,464 -0.156,466 -0.327,467 -0.119,468 14.114,469 0.504,470 0.588,471 0.021,472 40,473 1.429,474 21,475 0.75,476 19,477 0.679,478 21.282,479 0.76,480 28.486,481 0.662,482 25.73,483 0.919,484 7.568,485 0.27,486 6.102,487 0.218,488 0.074,490 0.283,496 0.836,497 1.177,498 0.628,499 0.746,500 0.602,501 0.729,502 0.588,503 0.976,504 0.795,505 0.905,506 0.539,507 0.894,508 1.176,509 1.252,510 1.177,511 1.199,512 1.093,513 1.083,514 0.872,515 1.16,516 0.955,517 1.145,518 0.853,519 1.087,520 1.511,521 0.975,522 1.263,523 1.106,524 1.534,525 1.117,526 0.902,527 0.933,528 0.869,529 0.982,530 1.101,531 0.981,532 1.245,533 0.782,534 0.994,535 0.802,536 1.317,537 0.831,538 0.722,539 0.974,540 0.981,541 1.097,542 0.921,543 0.931,544 5.5,545 0.078,546 2.222,547 1.882,548 0.841,549 0.695,550 0.298,551 0.276,552 0.188,553 0.145,554 12133,555 41022,556 2.137,557 34.9,559 7,560 1,561 2,562 3,563 2,567 1.702,568 2.049,569 3.623,570 1.023,572 1,577 82.158,578 1.911,579 4.098,580 5.017,581 5.333,582 5.333,583 5.333,584 3.023,585 4.664,586 4.783,587 3.875,588 1464.62,589 8.268,590 21034.2,592 1,594 1,595 233.329,596 1.198,597 4.76,598 0.177,599 0.005,600 0.053,601 0.051,602 0.025,603 0.025,604 0.011,605 0.01,606 0.007,607 0.007,608 0.369,609 0.17,610 1,611 0.444,612 145.183,613 -0.143,614 -0.097,615 0.019,616 0.066,617 -0.068,618 0.048,619 0.217,620 0.104,621 0.019,622 0.014,623 0.124,624 -0.045,625 -0.192,626 -0.249,627 -0.152,628 -0.178,629 -0.147,630 -0.111,631 0.121,632 -0.164,633 -0.01,634 -0.178,635 0.122,636 -0.118,637 -0.346,638 0.03,639 -0.277,640 -0.111,641 -0.225,642 -0.151,643 0.116,644 0.02,645 0.074,646 0.021,647 0.099,648 0.031,649 -0.232,650 0.238,651 0.063,652 0.298,653 -0.213,654 0.178,655 0.213,656 0.065,657 0.16,658 0.078,659 0.048,660 0.077,661 2.026,662 5.076,663 0.714,664 29.837,665 1.019,666 1.118,667 3.391,668 11.499,669 0.755,670 3.466,671 3.761,672 3.989,673 4.248,674 4.304,675 4.317,676 4.344,677 4.431,678 4.407,679 4.533,680 7.942,681 0.713,682 430.98,683 3.466,684 4.99,685 5.82,686 6.681,687 7.52,688 8.383,689 9.226,690 10.09,691 10.935,692 11.799,693 14,698 1,700 2,703 3,708 2,709 8,710 3,713 2,714 5,716 21,728 1,734 1,735 43,737 22,738 1,739 31,741 46,742 18,743 15,744 2,745 4,748 4,749 5,750 1,753 1,760 1,762 16,763 2,767 1,772 1,776 1,780 1,783 15,784 7,785 3,786 10,787 3,792 6,797 0.75,798 1,810 1,815 2,816 2,819 1,843 3,845 2,848 1,851 28,858 2,860 3,868 1,869 1,873 1,874 2.3,877 1,881 13.667,882 7.66,883 6.139,884 2.379,886 3.816,887 1.508,888 1.026,889 6.221,890 11.334,891 3.773,892 4.382,893 4.943,894 5.538,895 5.867,896 6.039,897 6.28,898 6.581,899 6.454,900 6.821,901 1,902 37,903 10.279,905 4.34,906 7.772,907 19.464,909 15.731,911 2.272,912 63.611,915 1,916 141.253,917 157.502,918 104.389,919 39.149,920 25.145,922 62.555,923 94.947,924 205.547,925 104.389,927 40.662,928 55.03,929 117.054,930 26.568,931 20.479,932 168.495,933 39.149,934 141.253,935 199.336,936 25.145,937 101.704,939 141.253,940 25.145,943 60.973,944 69.996,945 107.516,946 62.555,947 141.253,948 129.534,949 196.651,952 141.253,953 84.806,954 72.696,955 54.032,956 114.65,957 141.253,958 129.534,959 196.651,961 0.574,962 0.325,963 0.182,964 0.086,965 20,966 8,967 0.13,968 6,969 1,970 1.1,971 4.242,972 228.404,973 0.1,974 20,975 132.606,977 2,981 19.335,982 9.009,983 5.099,984 1.99,985 129.534,986 14.264,987 12.786,990 3.049,991 3.615,993 54.032,994 467.438,995 42.5,1000 12.076,1004 -0.359,1007 43.833,1008 48.059,1009 0.352,1010 0.755,1011 0.925,1012 0.983,1013 0.983,1014 0.983,1015 4.978,1016 1.548,1017 5.778,1018 4.476,1019 4.443,1020 5.069,1021 1.812,1022 6.526,1023 4.263,1024 6.178,1025 1.191,1026 7.29,1027 3.692,1028 3.892,1029 4.796,1030 1.195,1031 7.261,1032 3.603,1033 7.47,1034 1.153,1035 8.896,1036 2.656,1037 5.974,1038 7.277,1039 2.419,1040 10.342,1041 5.632,1042 8.798,1043 1,1044 10.56,1045 2.579,1046 6.256,1047 7.88,1048 2.324,1049 11.95,1050 5.794,1051 10.158,1052 0.74,1053 12.262,1054 2.23,1055 7.766,1056 9.783,1057 3.244,1058 14.516,1059 7.264,1060 11.541,1061 0.556,1062 13.993,1063 1.774,1064 8.45,1065 10.82,1066 3.407,1067 16.511,1068 7.829,1069 12.941,1070 -0.017,1071 15.745,1072 1.365,1073 9.716,1074 12.477,1075 4.156,1076 18.905,1077 9.051,1078 3.045,1079 -0.129,1080 17.515,1081 -0.046,1082 10.602,1083 13.734,1084 4.464,1085 21.077,1086 9.825,1087 2.794,1088 10.214,1089 19.299,1090 -0.327,1091 11.76,1092 15.285,1093 5.111,1094 23.413,1095 10.93,1096 2.666,1097 8.075,1098 21.096,1099 4.457,1100 12.747,1101 16.654,1102 5.504,1103 25.665,1104 11.815,1105 2.299,1106 7.61,1107 22.903,1108 3.746,1109 13.86,1110 18.16,1111 6.091,1112 27.985,1113 12.867,1114 2.126,1115 6.344,1116 24.718,1117 3.656,1118 14.897,1119 19.586,1120 6.531,1121 30.273,1122 13.812,1123 1.937,1124 6.221,1125 26.542,1126 2.883,1127 15.993,1128 21.075,1129 7.083,1130 32.591,1131 14.84,1132 1.663,1133 5.435,1134 28.373,1135 2.861,1136 17.057,1137 22.53,1138 7.551,1139 34.896,1140 15.817,1141 11287,1142 20925,1143 21.266,1144 32.449,1145 46.092,1146 46.41,1147 46.377,1148 45.52,1149 45.436,1150 61.989,1151 4.606,1152 125.342,1153 41.228,1154 5.39,1155 5.564,1156 6.108,1157 5.106,1158 5.045,1159 7.457,1160 2.912,1161 16.99,1162 4.812,1163 9.997,1164 1.487,1165 1.497,1166 1.496,1167 1.468,1168 1.466,1169 2,1170 0.149,1171 4.043,1172 1.33,1173 4.043,1174 4.068,1175 4.312,1176 4.026,1177 7.431,1178 3.973,1179 3.924,1180 3.953,1181 4.229,1182 3.868,1183 5.066,1184 3.843,1185 3.846,1186 3.87,1187 3.994,1188 3.824,1189 4.945,1190 3.768,1191 3.491,1192 3.557,1193 3.485,1194 3.28,1195 4.836,1196 3.285,1197 3.349,1198 3.398,1199 3.445,1200 3.119,1201 4.369,1202 3.148,1203 3.209,1204 3.274,1205 3.255,1206 3.025,1207 4.359,1208 3.023,1209 2.886,1210 2.954,1211 3.182,1212 2.797,1213 4.179,1214 2.771,1215 2.869,1216 2.921,1217 2.849,1218 2.706,1219 3.94,1220 2.701,1221 0.145,1222 0.115,1223 0.21,1224 0.128,1225 0.098,1226 4.509,1227 0.144,1228 3.564,1229 0.053,1230 6.512,1231 0.329,1232 3.972,1233 0.091,1234 3.045,1235 4.457,1236 1.656,1237 10.214,1238 2.812,1239 1.881,1240 1.856,1241 1.971,1242 1.979,1243 1.155,1244 1.983,1245 1.81,1246 1.776,1247 1.885,1248 1.973,1249 1.059,1250 1.955,1251 1.618,1252 1.585,1253 1.758,1254 1.756,1255 0.904,1256 1.775,1257 1.405,1258 1.39,1259 1.474,1260 1.684,1261 0.629,1262 1.642,1263 1.397,1264 1.357,1265 1.431,1266 1.467,1267 0.488,1268 1.514,1269 1.118,1270 1.051,1271 1.302,1272 1.355,1273 0.404,1274 1.354,1275 1.021,1276 0.993,1277 1.134,1278 1.183,1279 0.225,1280 1.214,1281 0.867,1282 0.824,1283 1.057,1284 1.015,1285 0.147,1286 1.055,1287 4.143,1289 5.442,1290 3.045,1291 6.913,1292 5.283,1293 8.466,1294 7.273,1295 10.064,1298 5.915,1303 1.479,1305 8.797,1314 30.679,1315 82.158,1316 176.21,1317 215.72,1318 229.329,1319 229.329,1320 229.329,1321 39.384,1322 7.518,1323 91.83,1324 148.31,1325 22,1326 12.35,1327 4.524,1328 3.644,1329 42.847,1330 136,1331 108,1332 0.15,1333 199.942,1334 327.54,1335 479.618,1336 22573,1337 2.3,1338 19.347,1339 0.691,1340 0.602,1341 20.554,1342 16.866,1343 13.67,1344 0.441,1345 0.337,1346 8.439,1347 11.971,1348 8.113,1349 6.692,1350 14.821,1351 10.45,1352 12.236,1353 0.291,1354 0.196,1355 13.896,1356 8.223,1357 9.827,1358 0.185,1359 0.111,1360 11.516,1361 5.882,1362 8.591,1363 0.125,1364 0.063,1365 10.432,1366 4.334,1367 5.956,1368 0.082,1369 0.033,1370 7.175,1371 2.438,1372 0.246,1373 97.029,1374 0.217,1375 27.632,1376 0.382,1377 146,1378 461.594,1379 224.075,1380 522.071,1381 702.77,1382 488,1383 168,1384 463.234,1385 231.61,1386 508.336,1387 739.95,1388 478,1389 5.2}
{0 CHEMBL482967,1 1.676,2 11.692,3 2.744,4 7.528,5 105.217,6 8.011,7 0.586,8 3.952,9 4.077,10 3.63,11 3.493,12 5.047,13 3.465,14 4.472,15 4.646,16 4.02,17 3.864,18 5.535,19 3.815,20 4.644,21 4.853,22 3.958,23 3.963,24 5.611,25 3.878,26 4.64,27 4.851,28 3.848,29 3.979,30 5.581,31 3.849,32 4.67,33 4.916,34 3.807,35 3.894,36 5.644,37 3.782,38 4.601,39 4.867,40 3.618,41 3.739,42 5.526,43 3.62,44 4.342,45 4.596,46 3.47,47 3.547,48 5.289,49 3.427,50 4.182,51 4.418,52 3.445,53 3.476,54 5.113,55 3.36,56 0.046,57 0.757,58 9.387,59 3.959,60 8.408,61 4.967,62 0.298,63 1.194,64 19.484,65 6.58,66 24.022,67 8.432,68 0.378,69 1.347,70 25.221,71 7.801,72 25.993,73 10.162,74 0.172,75 1.339,76 25.525,77 9.429,78 20.531,79 12.187,80 0.294,81 1.307,82 25.886,83 8.404,84 36.244,85 11.895,86 0.303,87 1.15,88 24.656,89 8.004,90 32.599,91 11.136,92 0.324,93 0.924,94 18.408,95 5.984,96 27.236,97 8.093,98 0.21,99 0.827,100 17.139,101 5.456,102 17.351,103 7.141,104 5,105 40,106 0.287,107 0.645,108 0.772,109 0.801,110 0.816,111 0.816,112 3.304,113 0.959,114 -3.32,115 -3.31,116 -3.17,119 39.1,120 1,125 4,142 5,144 2,145 1,146 2,150 1,152 1,162 1,163 1,164 1,165 1,172 2,174 1,175 6,177 1,178 3,180 3,183 2,185 1,187 1,188 3,193 2,196 4,199 1,200 6,205 2,208 1,210 1,213 7,215 1,216 2,218 2,223 1,224 1,225 3,228 1,230 1,233 2,237 2,240 1,241 1,242 1,245 1,246 4,250 2,253 1,258 4,264 3,269 2,272 2,274 2,276 982,277 17.809,278 17.809,279 17.809,280 17.809,281 17.809,282 15.75,283 25.529,284 10.632,285 18.565,286 14.359,287 14.359,288 14.359,289 14.359,290 14.359,291 11.295,292 38.25,293 5.1,294 15.605,295 3.848,296 1.754,297 1.008,298 0.842,299 0.756,300 0.756,301 4.004,304 1,305 1,306 1,307 669,308 2.236,311 73.373,312 265.509,319 1.87,320 18.423,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 56,332 304,333 4.442,334 3.141,335 6.5,336 3.992,337 3.071,338 4.146,339 0.86,340 10.165,341 2.829,342 4.155,343 3.121,344 6.143,345 3.822,346 2.875,347 3.717,348 0.8,349 9.058,350 2.726,351 3.955,352 2.809,353 5.611,354 3.544,355 2.628,356 3.504,357 0.4,358 7.757,359 2.412,360 3.656,361 2.441,362 5.274,363 3.266,364 2.329,365 2.948,367 6.668,368 2.173,369 3.347,370 2.285,371 4.945,372 2.924,373 2.013,374 2.62,376 5.731,377 1.827,378 3.022,379 2.08,380 4.603,381 2.705,382 1.786,383 2.179,385 4.589,386 1.632,387 2.938,388 1.866,389 4.427,390 2.566,391 1.646,392 2.004,394 4.409,395 1.493,396 2.685,397 1.524,398 3.889,399 2.171,400 1.241,401 1.766,403 2.907,404 1.148,405 2.5,406 1.256,407 3.506,408 2.029,409 1.139,410 1.5,412 2.684,413 1.004,414 2.33,415 1.254,416 3.472,417 2,418 1,419 1.253,421 2.339,422 1,423 2.256,424 1,425 3.414,426 1.952,427 1,428 1.239,430 2.275,431 0.946,432 2,433 0.884,434 3.247,435 1.702,436 0.854,437 1,439 2.136,440 0.711,441 1.364,442 0.284,443 2.917,444 1.037,445 0.101,446 0.122,448 0.264,449 0.094,450 0.889,451 -0.222,452 2.531,453 0.489,454 -0.449,455 -0.546,457 -1.078,458 -0.419,459 0.761,460 -0.303,461 2.352,462 0.404,463 -0.527,464 -0.624,466 -1.291,467 -0.486,468 12.567,469 0.483,470 0.571,471 0.022,472 35.5,473 1.365,474 17.5,475 0.673,476 18,477 0.692,478 19.937,479 0.767,480 27.633,481 0.601,482 23.606,483 0.908,484 6.873,485 0.264,486 5.813,487 0.224,488 0.072,490 0.31,496 1.01,497 1.362,498 0.745,499 0.972,500 1.068,501 0.9,502 1.172,503 1.059,504 0.819,505 0.898,506 0.775,507 0.848,508 1.309,509 1.011,510 1.088,511 0.915,512 1.048,513 0.929,514 0.652,515 1.261,516 1.175,517 1.314,518 0.613,519 1.233,520 0.753,521 1.015,522 0.854,523 0.989,524 0.976,525 1.014,526 0.927,527 0.95,528 0.804,529 0.87,530 0.919,531 0.931,532 1.031,533 0.68,534 0.877,535 0.743,536 1.008,537 0.901,538 0.839,539 0.995,540 1.07,541 0.969,542 0.855,543 0.903,544 5,545 0.108,546 2.444,547 1.757,548 0.886,549 0.608,550 0.518,551 0.295,552 0.177,553 0.119,554 9042,555 24057,556 2.148,557 43.5,559 13,561 1,562 3,563 3,567 1.685,568 2.053,569 3.514,570 1.012,571 1,572 1,577 77.077,578 1.676,579 3.77,580 4.516,581 4.681,582 4.768,583 4.768,584 2.936,585 4.162,586 4.673,587 3.671,588 1193.18,589 8.067,590 15287.4,592 1,594 1,595 254.084,596 1.239,597 4.65,598 0.172,599 0.006,600 0.061,601 0.046,602 0.026,603 0.019,604 0.019,605 0.013,606 0.008,607 0.006,608 0.377,609 0.33,610 1,611 0.465,612 129.04,613 -0.101,614 -0.189,615 0.066,616 -0.008,617 -0.149,618 0.018,619 0.029,620 0.032,621 0.127,622 0.08,623 0.146,624 0.075,625 -0.211,626 0.049,627 -0.104,628 0.062,629 -0.155,630 0.007,631 -0.005,632 -0.241,633 -0.168,634 -0.249,635 0.083,636 -0.218,637 0.044,638 -0.056,639 0.03,640 -0.066,641 0.011,642 -0.03,643 0.023,644 -0.049,645 0.073,646 0.02,647 0.05,648 0.053,649 0.002,650 0.288,651 0.023,652 0.149,653 -0.028,654 0.051,655 0.006,656 0.028,657 0.012,658 0.078,659 -0.001,660 0.086,661 1.121,662 1.899,663 0.885,664 24.982,665 1.004,666 1.131,667 2.09,668 4.369,669 0.684,670 3.401,671 3.714,672 3.97,673 4.234,674 4.407,675 4.382,676 4.522,677 4.625,678 4.673,679 4.754,680 6.838,681 0.646,682 368.51,683 3.401,684 4.934,685 5.778,686 6.648,687 7.504,688 8.376,689 9.237,690 10.11,691 10.974,692 11.847,693 13,697 1,699 1,701 1,703 3,709 6,710 3,713 1,714 7,716 17,727 1,728 1,730 1,735 46,737 17,738 1,739 29,741 49,742 18,743 13,744 2,745 4,748 4,749 4,754 1,762 13,763 5,779 1,780 1,783 20,784 7,785 3,786 8,787 1,792 6,797 1,798 1,810 1,815 1,816 3,842 1,843 4,845 1,847 1,851 26,852 1,858 4,860 1,861 1,864 1,868 1,874 2.2,878 1,881 12.667,882 8.467,883 5.667,884 2.65,886 3.126,887 1.42,888 1.014,889 5.109,890 10.571,891 3.651,892 4.238,893 4.791,894 5.364,895 5.819,896 5.998,897 6.408,898 6.795,899 7.099,900 7.423,901 0.875,902 38,903 9.558,905 4.003,906 7.596,907 18.483,909 15.051,911 2.096,912 54.5,915 1,916 200.109,917 124.713,918 104.389,920 11,922 31.278,923 93.435,924 211.109,925 104.389,926 8.825,927 13.396,928 80.278,929 73.128,930 41.71,931 3.257,932 219.615,934 200.109,935 197.824,936 11,937 31.278,939 200.109,941 11,943 57.193,944 90.275,945 50.357,946 31.278,947 200.109,948 115.389,949 124.713,952 200.109,953 59.459,954 68.378,955 18.011,956 94.254,957 200.109,958 115.389,959 124.713,961 0.578,962 0.335,963 0.187,964 0.099,965 20,966 8,967 0.082,968 4,970 1,971 3.942,972 215.801,974 23,975 114.211,977 1,981 17.342,982 7.66,983 4.034,985 115.389,986 11.888,987 13.16,990 1.433,991 5.906,993 50.908,994 440.21,995 37.5,1007 46.2,1008 52.026,1009 0.303,1010 0.682,1011 0.818,1012 0.847,1013 0.863,1014 0.863,1015 4.877,1016 1.241,1017 5.746,1018 4.409,1019 4.394,1020 4.924,1021 1.324,1022 6.524,1023 4.24,1024 6.065,1025 1.139,1026 7.279,1027 2.907,1028 3.892,1029 4.62,1030 0.325,1031 7.322,1032 3.662,1033 7.355,1034 1,1035 8.908,1036 2.684,1037 5.953,1038 7.07,1039 0.958,1040 10.416,1041 5.656,1042 8.679,1043 1,1044 10.596,1045 2.339,1046 6.275,1047 7.593,1048 0.268,1049 12.066,1050 5.895,1051 10.036,1052 0.854,1053 12.322,1054 2.275,1055 7.787,1056 9.496,1057 0.736,1058 14.645,1059 7.351,1060 11.415,1061 0.101,1062 14.076,1063 2.136,1064 8.503,1065 10.421,1066 0.188,1067 16.655,1068 7.98,1069 12.812,1070 -0.449,1071 15.849,1072 0.264,1073 9.776,1074 12.072,1075 0.57,1076 19.051,1077 9.197,1078 3.071,1079 -0.527,1080 17.637,1081 -1.078,1082 10.687,1083 13.211,1084 0.125,1085 21.22,1086 10.021,1087 2.875,1088 10.165,1089 19.437,1090 -1.291,1091 11.854,1092 14.737,1093 0.439,1094 23.55,1095 11.129,1096 2.628,1097 9.058,1098 21.247,1099 4.146,1100 12.861,1101 15.992,1102 0.082,1103 25.789,1104 12.051,1105 2.329,1106 7.757,1107 23.065,1108 3.717,1109 13.984,1110 17.455,1111 0.334,1112 28.097,1113 13.109,1114 2.013,1115 6.668,1116 24.889,1117 3.504,1118 15.038,1119 18.776,1120 0.054,1121 30.37,1122 14.08,1123 1.786,1124 5.731,1125 26.719,1126 2.948,1127 16.145,1128 20.209,1129 0.252,1130 32.672,1131 15.117,1132 1.646,1133 4.589,1134 28.553,1135 2.62,1136 17.222,1137 21.567,1138 0.035,1139 34.961,1140 16.114,1141 8445,1142 13938,1143 19.879,1144 31.466,1145 43.678,1146 43.586,1147 44.174,1148 43.394,1149 43.366,1150 55.996,1151 4.12,1152 121.961,1153 39.99,1154 5.442,1155 5.141,1156 6.302,1157 5.103,1158 5.071,1159 7.146,1160 1.72,1161 16.969,1162 4.829,1163 9.472,1164 1.506,1165 1.503,1166 1.523,1167 1.496,1168 1.495,1169 1.931,1170 0.142,1171 4.206,1172 1.379,1173 4,1174 4.04,1175 4.253,1176 3.927,1177 5.164,1178 3.902,1179 3.908,1180 3.94,1181 3.903,1182 3.843,1183 4.995,1184 3.824,1185 3.711,1186 3.764,1187 3.706,1188 3.528,1189 4.749,1190 3.536,1191 3.629,1192 3.678,1193 3.545,1194 3.464,1195 4.582,1196 3.47,1197 3.111,1198 3.217,1199 3.021,1200 2.941,1201 4.477,1202 2.91,1203 3.108,1204 3.206,1205 2.986,1206 2.93,1207 4.003,1208 2.898,1209 3.081,1210 3.15,1211 2.866,1212 2.877,1213 3.895,1214 2.873,1215 2.854,1216 2.925,1217 2.725,1218 2.735,1219 3.705,1220 2.715,1221 0.153,1222 0.108,1223 0.224,1224 0.138,1225 0.106,1226 4.442,1227 0.143,1228 3.141,1229 0.03,1230 6.5,1231 0.351,1232 3.992,1233 0.098,1234 3.071,1235 4.146,1236 0.86,1237 10.165,1238 2.829,1239 1.921,1240 1.887,1241 2.033,1242 2.059,1243 1.236,1244 2.052,1245 1.784,1246 1.75,1247 1.875,1248 1.95,1249 1.026,1250 1.932,1251 1.627,1252 1.574,1253 1.826,1254 1.822,1255 0.951,1256 1.829,1257 1.457,1258 1.393,1259 1.682,1260 1.674,1261 0.825,1262 1.676,1263 1.276,1264 1.254,1265 1.513,1266 1.471,1267 0.704,1268 1.494,1269 1.153,1270 1.064,1271 1.334,1272 1.376,1273 0.35,1274 1.429,1275 1.008,1276 0.944,1277 1.204,1278 1.266,1279 0.301,1280 1.256,1281 0.886,1282 0.821,1283 1.181,1284 1.062,1285 0.218,1286 1.107,1287 4.078,1289 5.389,1290 2.398,1291 6.891,1292 4.727,1293 8.472,1294 6.783,1295 10.094,1297 1.932,1301 5.791,1303 3.412,1305 3.258,1306 5.399,1309 2.321,1314 29.718,1315 77.077,1316 173.401,1317 207.719,1318 215.329,1319 219.329,1320 219.329,1321 30.694,1322 7.445,1323 89.19,1324 117.43,1325 23,1326 12.39,1327 4.17,1328 3.248,1329 38.289,1330 108,1331 100,1332 0.173,1333 186.333,1334 310,1335 446.412,1336 18219,1338 17.933,1339 0.69,1340 0.588,1341 18.286,1342 15.292,1343 12.687,1344 0.437,1345 0.32,1346 8.381,1347 11.687,1348 8.119,1349 6.693,1350 13.095,1351 9.266,1352 11.425,1353 0.286,1354 0.176,1355 12.127,1356 7.034,1357 9.483,1358 0.182,1359 0.1,1360 10.271,1361 5.21,1362 8.168,1363 0.12,1364 0.055,1365 8.947,1366 3.71,1367 6.409,1368 0.079,1369 0.029,1370 7.061,1371 2.318,1372 0.277,1373 83.745,1374 0.224,1375 25.485,1376 0.458,1377 138,1378 392.821,1379 179.16,1380 401.893,1381 560.85,1382 380,1383 161,1384 406.393,1385 197.362,1386 426.234,1387 625.32,1388 402,1389 6.1}
{0 CHEMBL483158,1 1.783,2 12.595,3 5.929,4 35.153,5 136.709,6 9.105,7 0.585,8 4.178,9 4.263,10 3.904,11 3.751,12 5.443,13 3.766,14 4.664,15 4.788,16 4.294,17 4.129,18 5.983,19 4.137,20 4.877,21 5,22 4.473,23 4.32,24 6.144,25 4.325,26 5.017,27 5.165,28 4.522,29 4.348,30 6.392,31 4.345,32 5.064,33 5.228,34 4.497,35 4.392,36 6.296,37 4.371,38 5.118,39 5.303,40 4.486,41 4.368,42 6.381,43 4.332,44 5.022,45 5.222,46 4.442,47 4.293,48 6.254,49 4.236,50 4.903,51 5.101,52 4.255,53 4.151,54 6.176,55 4.088,56 0.188,57 0.856,58 7.414,59 4.838,60 15.238,61 4.94,62 0.571,63 1.365,64 16.32,65 8.01,66 55.311,67 8.367,68 0.529,69 1.738,70 20.942,71 9.939,72 48.865,73 10.328,74 1.078,75 1.996,76 25.47,77 10.937,78 86.59,79 11.777,80 0.78,81 2.053,82 27.459,83 12.093,84 78.118,85 13.163,86 1.186,87 2.203,88 33.506,89 12.909,90 121.095,91 13.657,92 0.956,93 1.838,94 36.617,95 13.019,96 92.511,97 15.609,98 0.948,99 1.636,100 31.876,101 10.861,102 89.836,103 13.033,104 46,105 59,106 0.286,107 0.65,108 0.784,109 0.87,110 0.881,111 0.887,112 3.643,113 0.841,114 -4.38,115 -4.31,116 -4.06,119 47.4,124 2,125 1,142 9,143 5,144 5,145 1,146 1,150 1,157 1,158 1,167 1,170 1,172 8,173 1,174 1,175 11,178 3,180 3,183 14,184 1,188 7,189 1,193 2,196 10,197 2,199 4,200 15,203 2,205 5,208 7,213 10,218 2,219 1,221 7,224 2,225 8,228 2,229 1,230 2,233 11,237 1,238 4,239 2,243 1,246 12,249 3,250 8,253 2,255 1,258 10,264 4,267 1,269 2,272 6,273 2,276 2524,277 25.118,278 25.118,279 25.118,280 25.118,281 25.118,282 21.85,283 32.111,284 14.446,285 25.879,286 20.097,287 20.097,288 20.097,289 20.097,290 20.097,291 15.031,292 47.196,293 6.64,294 21.219,295 4.049,296 1.785,297 0.948,298 0.412,299 0.342,300 0.307,301 4.348,302 1,306 1,307 1008,308 3.536,312 367.328,313 86.382,317 283.028,319 1.984,320 52.15,323 0.75,324 0.83,325 0.83,326 0.3,328 0.83,329 1,330 0.65,331 81.833,332 466,333 4.651,334 3.619,335 6.989,336 4.279,337 3.301,338 4.344,339 1.437,340 11.911,341 3.23,342 4.389,343 3.484,344 6.613,345 3.992,346 3.024,347 4.059,348 0.86,349 10.531,350 2.931,351 4.355,352 3.191,353 6.42,354 3.965,355 2.988,356 4.002,357 0.86,358 9.816,359 2.906,360 4.043,361 2.962,362 5.977,363 3.6,364 2.653,365 3.648,366 0.795,367 8.425,368 2.513,369 3.756,370 2.897,371 5.533,372 3.395,373 2.435,374 3.113,375 0.4,376 7.462,377 2.335,378 3.581,379 2.685,380 5.241,381 3.09,382 2.172,383 2.929,385 6.195,386 1.997,387 3.439,388 2.572,389 5.058,390 2.995,391 2.045,392 2.746,394 6.001,395 1.926,396 3.336,397 2.535,398 4.999,399 2.93,400 1.999,401 2.589,403 5.779,404 1.772,405 3.293,406 2.34,407 4.97,408 2.876,409 1.964,410 2.543,412 5.504,413 1.764,414 3.145,415 2.061,416 4.734,417 2.734,418 1.798,419 2.31,421 4.854,422 1.666,423 2.811,424 1.617,425 4.281,426 2.348,427 1.356,428 1.95,430 3.543,431 1.341,432 2.663,433 1.388,434 3.906,435 2.157,436 1.162,437 1.673,439 2.891,440 1.144,441 2.609,442 1.329,443 3.727,444 2.061,445 1.108,446 1.634,448 2.742,449 1.05,450 2.579,451 1.215,452 3.698,453 2.035,454 1.09,455 1.574,457 2.671,458 1.015,459 1.822,460 1.136,461 3.232,462 1.577,463 0.682,464 0.752,466 1.484,467 0.602,468 17.433,469 0.471,470 0.955,471 0.026,472 53,473 1.432,474 28.5,475 0.77,476 24.5,477 0.662,478 30.722,479 0.83,480 38.367,481 0.673,482 47.531,483 1.285,484 10.933,485 0.295,486 6.955,487 0.188,488 0.153,490 0.402,494 1,496 0.759,497 1.073,498 0.578,499 0.925,500 0.667,501 0.809,502 0.852,503 0.854,504 0.657,505 0.733,506 0.569,507 0.715,508 0.962,509 1.233,510 0.891,511 1.045,512 0.845,513 0.942,514 0.824,515 1.058,516 0.856,517 0.96,518 0.829,519 0.977,520 0.973,521 1.195,522 0.857,523 1.019,524 0.936,525 1.021,526 1.218,527 1.106,528 1.07,529 0.905,530 1.33,531 1.005,532 0.728,533 0.991,534 0.993,535 1.012,536 0.68,537 0.974,538 0.771,539 0.893,540 1.169,541 1.014,542 0.703,543 1.057,544 7.5,545 0.301,546 4.444,547 3.375,548 2.798,549 1.531,550 1.287,551 0.745,552 0.462,553 0.329,554 19662,555 68062,556 2.084,557 35.1,559 17,561 1,562 2,567 1.784,568 1.93,569 3.587,570 0.189,577 101.654,578 1.783,579 4.048,580 4.885,581 5.42,582 5.491,583 5.526,584 3.064,585 4.885,586 5.179,587 3.796,588 2528.08,589 9.132,590 39567.1,595 332.475,596 1.472,597 5.131,598 0.183,599 0.009,600 0.075,601 0.048,602 0.04,603 0.023,604 0.021,605 0.013,606 0.01,607 0.009,608 0.43,609 0.17,610 0.75,611 0.86,612 201.099,613 -0.081,614 -0.095,615 0.011,616 -0.02,617 -0.094,618 0.019,619 -0.017,620 0.121,621 0.07,622 0.188,623 0.082,624 0.16,625 -0.136,626 -0.189,627 -0.085,628 -0.113,629 -0.081,630 -0.066,631 0.121,632 0.011,633 -0.057,634 -0.049,635 0.066,636 -0.096,637 -0.124,638 -0.172,639 -0.044,640 -0.081,641 -0.09,642 -0.083,643 -0.131,644 0.073,645 -0.096,646 0.063,647 -0.192,648 -0.052,649 0.111,650 -0.03,651 0.165,652 0.012,653 0.103,654 0.084,655 0.104,656 0.081,657 -0.023,658 -0.019,659 0.082,660 -0.036,661 2.762,662 7.045,663 0.73,664 41.284,665 1.026,666 1.12,667 3.147,668 9.903,669 0.71,670 3.738,671 4.094,672 4.419,673 4.736,674 5.024,675 5.176,676 5.361,677 5.545,678 5.714,679 5.886,680 7.516,681 0.7,682 518.96,683 3.738,684 5.303,685 6.18,686 7.084,687 7.98,688 8.889,689 9.792,690 10.704,691 11.61,692 12.524,693 7,701 1,702 1,703 2,709 10,710 2,714 12,716 24,719 1,725 1,728 1,733 2,734 2,735 57,737 26,738 3,739 41,741 61,742 27,743 22,744 9,745 9,746 2,748 5,749 8,750 1,762 24,763 3,767 2,772 1,775 1,776 2,781 1,783 20,784 9,785 2,786 10,787 1,792 4,797 0.6,798 4,810 1,816 4,817 1,821 2,841 1,843 3,847 2,848 1,849 1,851 37,857 1,858 1,860 1,861 2,873 2,874 7,876 1,877 1,879 2,881 19.167,882 11.169,883 8.167,884 3.12,886 4.692,887 1.534,888 0.993,889 6.895,890 13.478,891 4.025,892 4.673,893 5.301,894 5.924,895 6.516,896 6.85,897 7.301,898 7.767,899 8.231,900 8.697,901 1,902 70,903 13.689,905 5.99,906 7.998,907 25.213,909 20.555,911 2.498,912 92.444,916 211.88,917 168.321,918 68.367,919 39.149,920 89.828,921 14.96,923 168.321,924 340.857,925 83.327,926 21.766,927 2.106,928 85.286,929 116.837,930 110.393,931 16.859,932 200.109,933 39.149,934 211.88,935 236.688,936 104.788,937 39.149,939 226.84,940 89.828,943 50.605,944 152.512,945 72.72,947 226.84,948 158.195,949 207.47,952 211.88,953 52.221,954 116.1,955 18.011,956 194.293,957 211.88,958 173.155,959 207.47,961 0.585,962 0.357,963 0.204,964 0.116,965 29,966 14,967 0.098,968 6,969 2,970 1.148,971 4.457,972 383.954,973 0.148,974 27,975 190.75,981 24.845,982 10.268,983 4.792,985 173.155,986 16.11,987 9.133,991 4.268,993 60.694,994 592.505,995 55,1000 11.398,1003 4.715,1004 -0.698,1007 58.505,1008 63.851,1009 0.306,1010 0.694,1011 0.837,1012 0.929,1013 0.941,1014 0.947,1015 5.278,1016 1.999,1017 6.184,1018 6.001,1019 4.779,1020 5.361,1021 2.269,1022 7.047,1023 4.682,1024 6.513,1025 1.964,1026 7.775,1027 5.779,1028 4.443,1029 5.231,1031 8.054,1032 4.298,1033 7.843,1034 1.798,1035 9.466,1036 5.504,1037 6.422,1038 7.6,1039 2.53,1040 11.186,1041 6.263,1042 9.208,1043 1.356,1044 11.215,1045 4.854,1046 6.889,1047 8.253,1049 13.024,1050 6.699,1051 10.601,1052 1.162,1053 13.002,1054 3.543,1055 8.35,1056 10.109,1057 3.031,1058 15.689,1059 8.148,1060 12.016,1061 1.108,1062 14.816,1063 2.891,1064 9.187,1065 11.139,1067 17.875,1068 8.962,1069 13.449,1070 1.09,1071 16.651,1072 2.742,1073 10.451,1074 12.774,1075 3.659,1076 20.387,1077 10.211,1078 3.301,1079 0.682,1080 18.501,1081 2.671,1082 11.462,1083 13.997,1085 22.721,1086 11.201,1087 3.024,1088 11.911,1089 20.363,1090 1.484,1091 12.652,1092 15.527,1093 4.344,1094 25.184,1095 12.374,1096 2.988,1097 10.531,1098 22.236,1099 4.344,1100 13.743,1101 16.851,1103 27.582,1104 13.445,1105 2.653,1106 9.816,1107 24.117,1108 4.059,1109 14.908,1110 18.332,1111 5.052,1112 30.033,1113 14.592,1114 2.435,1115 8.425,1116 26.004,1117 4.002,1118 16.037,1119 19.71,1121 32.462,1122 15.7,1123 2.172,1124 7.462,1125 27.898,1126 3.648,1127 17.197,1128 21.169,1129 5.771,1130 34.913,1131 16.841,1132 2.045,1133 6.195,1134 29.796,1135 3.113,1136 18.345,1137 22.576,1139 37.358,1140 17.969,1141 18732,1142 34986,1143 27.164,1144 40.489,1145 61.856,1146 63.747,1147 64.711,1148 61.518,1149 61.379,1150 81.863,1151 8.703,1152 182.897,1153 57.997,1154 5.462,1155 5.619,1156 6.585,1157 5.351,1158 5.301,1159 7.344,1160 2.873,1161 19.588,1162 5.23,1163 20.617,1164 1.509,1165 1.555,1166 1.578,1167 1.5,1168 1.497,1169 1.997,1170 0.212,1171 4.461,1172 1.415,1173 4.082,1174 4.108,1175 4.095,1176 4.007,1177 8.201,1178 4.013,1179 3.938,1180 3.956,1181 3.91,1182 3.853,1183 7.475,1184 3.861,1185 3.87,1186 3.89,1187 3.865,1188 3.791,1189 6.351,1190 3.796,1191 3.705,1192 3.739,1193 3.773,1194 3.593,1195 5.058,1196 3.602,1197 3.379,1198 3.432,1199 3.388,1200 3.176,1201 4.896,1202 3.202,1203 3.266,1204 3.318,1205 3.244,1206 3.056,1207 4.811,1208 3.088,1209 3.255,1210 3.312,1211 3.157,1212 2.966,1213 4.801,1214 2.98,1215 3.248,1216 3.274,1217 3.09,1218 2.956,1219 4.508,1220 2.971,1221 0.113,1222 0.088,1223 0.17,1224 0.104,1225 0.081,1226 4.651,1227 0.106,1228 3.619,1229 0.035,1230 6.989,1231 0.291,1232 4.279,1233 0.079,1234 3.301,1235 4.344,1236 1.437,1237 11.911,1238 3.23,1239 1.97,1240 1.954,1241 2.022,1242 2.056,1243 1.183,1244 2.045,1245 1.906,1246 1.887,1247 1.985,1248 2.022,1249 1.094,1250 2.011,1251 1.857,1252 1.837,1253 1.938,1254 1.959,1255 1.067,1256 1.952,1257 1.7,1258 1.664,1259 1.801,1260 1.834,1261 0.932,1262 1.831,1263 1.287,1264 1.237,1265 1.573,1266 1.545,1267 0.575,1268 1.544,1269 1.198,1270 1.142,1271 1.569,1272 1.513,1273 0.572,1274 1.53,1275 1.192,1276 1.12,1277 1.418,1278 1.5,1279 0.456,1280 1.485,1281 1.138,1282 1.11,1283 1.25,1284 1.399,1285 0.319,1286 1.348,1287 4.419,1289 5.765,1291 7.313,1292 2.708,1293 8.955,1294 5.38,1295 10.646,1297 2.874,1298 6.347,1299 15.045,1302 9.326,1303 0.204,1305 3.089,1306 10.633,1314 39.897,1315 101.654,1316 230.726,1317 278.436,1318 308.965,1319 312.965,1320 314.965,1321 79.198,1322 8.786,1323 105.93,1324 105.93,1325 31,1326 13.038,1327 4.755,1328 3.907,1329 56.639,1330 166,1331 175,1332 0.167,1333 244.506,1334 433.74,1335 588.355,1336 87276,1337 3.5,1338 26.104,1339 0.706,1340 0.554,1341 25.733,1342 20.506,1343 17.889,1344 0.436,1345 0.28,1346 10.938,1347 16.768,1348 10.641,1349 8.795,1350 17.767,1351 11.49,1352 16.235,1353 0.275,1354 0.144,1355 16.106,1356 8.521,1357 13.996,1358 0.171,1359 0.075,1360 13.846,1361 6.119,1362 12.243,1363 0.108,1364 0.038,1365 12.024,1366 4.349,1367 10.461,1368 0.069,1369 0.021,1370 10.412,1371 3.125,1372 0.26,1373 116.483,1374 0.192,1375 33.193,1376 0.466,1377 200,1378 714.939,1379 237.251,1380 688.264,1381 920.49,1382 642,1383 241,1384 644.602,1385 271.879,1386 659.186,1387 970.45,1388 617,1389 5.1}
{0 CHEMBL483321,1 1.549,2 16.286,3 4.201,4 17.647,5 136.188,6 7.574,7 0.605,8 4.219,9 4.334,10 3.798,11 3.75,12 5.372,13 3.741,14 4.713,15 4.881,16 4.114,17 4.088,18 5.834,19 4.065,20 4.892,21 5.066,22 4.171,23 4.211,24 6.035,25 4.164,26 4.97,27 5.189,28 4.054,29 4.205,30 5.978,31 4.122,32 4.93,33 5.153,34 4.037,35 4.194,36 5.95,37 4.11,38 4.912,39 5.13,40 4.015,41 4.194,42 5.905,43 4.104,44 4.919,45 5.161,46 3.979,47 4.16,48 5.887,49 4.063,50 4.817,51 5.03,52 3.921,53 4.071,54 5.859,55 3.981,56 0.036,57 0.9,58 12.045,59 5.384,60 9.303,61 6.875,62 0.31,63 1.382,64 22.644,65 8.603,66 31.037,67 11.199,68 0.486,69 1.615,70 27.549,71 10.039,72 53.629,73 13.253,74 0.396,75 1.673,76 31.843,77 11.542,78 48.311,79 15.663,80 0.388,81 1.638,82 30.406,83 10.993,84 50.395,85 15.232,86 0.308,87 1.621,88 29.417,89 10.988,90 40.691,91 15.156,92 0.336,93 1.617,94 30.451,95 10.971,96 41.058,97 15.655,98 0.304,99 1.472,100 26.418,101 10.123,102 38.738,103 13.742,104 24,105 51,106 0.246,107 0.623,108 0.817,109 0.894,110 0.899,111 0.899,112 3.588,113 0.882,114 -4.15,115 -4.09,116 -3.87,119 43.5,120 2,124 1,125 2,135 2,142 8,143 3,144 3,145 1,146 2,147 1,148 1,158 1,172 10,174 1,175 8,178 2,180 4,183 11,187 2,188 8,191 1,193 4,196 10,200 6,203 1,205 4,208 7,213 10,216 1,218 4,221 9,225 10,230 3,233 10,237 1,238 6,243 1,246 11,250 6,253 3,254 1,255 1,258 11,263 1,264 5,272 5,276 2673,277 23.817,278 23.817,279 23.817,280 23.817,281 23.817,282 20.668,283 26.984,284 14.393,285 24.396,286 18.757,287 18.757,288 18.757,289 18.757,290 18.757,291 14.02,292 35.961,293 6.834,294 19.599,295 4.405,296 2.03,297 0.811,298 0.327,299 0.295,300 0.295,301 4.286,306 1,307 1212,308 3.937,312 449.957,316 176.052,319 2.784,320 27.117,323 1,324 0.83,325 0.83,326 0.6,327 0.5,328 1,329 1,330 0.82,331 75.5,332 570,333 4.532,334 3.601,335 6.536,336 4.053,337 3.081,338 4.47,339 2.032,340 10.341,341 2.997,342 4.264,343 3.219,344 6.104,345 3.857,346 2.895,347 3.911,348 0.9,349 8.927,350 2.787,351 3.989,352 3.114,353 5.475,354 3.542,355 2.583,356 3.595,357 0.86,358 7.338,359 2.468,360 3.792,361 2.756,362 5.355,363 3.401,364 2.421,365 3.232,366 0.546,367 6.918,368 2.371,369 3.655,370 2.548,371 5.246,372 3.347,373 2.36,374 2.966,375 0.4,376 6.599,377 2.318,378 3.598,379 2.384,380 5.028,381 3.199,382 2.236,383 2.826,385 6.063,386 2.143,387 3.403,388 2.268,389 5.006,390 2.986,391 2.034,392 2.738,394 5.797,395 1.928,396 3.282,397 2.038,398 4.864,399 2.824,400 1.861,401 2.581,403 5.512,404 1.789,405 2.975,406 1.956,407 4.149,408 2.458,409 1.504,410 2.16,412 3.667,413 1.433,414 2.821,415 1.884,416 4.097,417 2.4,418 1.414,419 1.95,421 3.545,422 1.39,423 2.788,424 1.643,425 3.604,426 2.323,427 1.383,428 1.796,430 2.999,431 1.297,432 2.5,433 1.425,434 3.425,435 1.959,436 1.027,437 1.5,439 2.286,440 0.956,441 2.388,442 1.018,443 3.414,444 1.931,445 1,446 1.341,448 2.275,449 0.925,450 2.151,451 1,452 3.128,453 1.869,454 0.94,455 1.103,457 1.745,458 0.858,459 1.79,460 0.849,461 3.081,462 1.422,463 0.483,464 0.59,466 1.157,467 0.448,468 16.5,469 0.471,470 0.746,471 0.021,472 48.75,473 1.393,474 26,475 0.743,476 22.75,477 0.65,478 27.031,479 0.772,480 36.9,481 0.595,482 39.172,483 1.119,484 10.089,485 0.288,486 6.923,487 0.198,488 0.111,490 0.303,496 0.844,497 1.323,498 0.773,499 1.106,500 0.685,501 0.952,502 1.083,503 1.022,504 0.856,505 0.912,506 0.748,507 0.86,508 1.108,509 1.123,510 1.072,511 1.052,512 1.13,513 1.053,514 1.093,515 1.028,516 1.032,517 0.996,518 0.989,519 1.007,520 0.924,521 0.985,522 0.985,523 0.935,524 1.067,525 0.961,526 0.902,527 1.069,528 1.015,529 1.014,530 0.759,531 1.028,532 0.699,533 0.955,534 0.921,535 0.942,536 0.661,537 0.951,538 0.82,539 1.034,540 1.063,541 1.171,542 0.978,543 1.158,544 7,545 0.165,546 3.333,547 1.688,548 1.942,549 0.681,550 0.768,551 0.568,552 0.3,553 0.325,554 20240,555 56117,556 2.075,557 43.5,558 3,559 17,561 2,562 2,563 3,567 1.764,568 1.963,569 3.939,570 0.162,577 96.032,578 1.549,579 3.924,580 5.143,581 5.627,582 5.66,583 5.66,584 3.476,585 4.958,586 5.091,587 4.125,588 2454.23,589 8.928,590 40836.7,595 369.16,596 1.316,597 5.07,598 0.184,599 0.005,600 0.065,601 0.032,602 0.042,603 0.015,604 0.017,605 0.013,606 0.008,607 0.009,608 0.391,609 0.33,610 0.88,611 1.53,612 193.894,613 -0.043,614 -0.171,615 0.051,616 -0.076,617 -0.067,618 -0.009,619 -0.012,620 0.057,621 0.069,622 0.076,623 0.037,624 0.08,625 0.009,626 -0.054,627 -0.135,628 -0.076,629 -0.047,630 -0.119,631 -0.114,632 -0.04,633 -0.058,634 -0.006,635 -0.079,636 -0.023,637 -0.069,638 0.024,639 -0.025,640 0.053,641 -0.076,642 0.026,643 -0.107,644 -0.06,645 -0.071,646 -0.015,647 -0.072,648 -0.035,649 0.006,650 0.049,651 0.04,652 0.044,653 0.019,654 0.052,655 0.029,656 -0.015,657 -0.118,658 -0.181,659 -0.043,660 -0.177,661 1.821,662 4.491,663 0.629,664 52.617,665 1.003,666 1.124,667 2.919,668 8.523,669 0.674,670 3.664,671 3.951,672 4.174,673 4.407,674 4.663,675 4.691,676 4.836,677 4.997,678 5.118,679 5.193,680 9.067,681 0.646,682 469.59,683 3.664,684 5.187,685 6.014,686 6.87,687 7.716,688 8.578,689 9.434,690 10.3,691 11.163,692 12.032,693 8.1,700 1,701 1,703 3,708 2,709 10,710 3,714 7,716 23,728 1,733 1,735 62,737 25,738 2,739 38,741 65,742 27,743 19,744 6,745 6,746 2,748 4,749 5,754 2,762 22,763 5,767 2,772 1,774 2,776 1,783 27,784 8,785 2,786 8,792 5,797 0.75,798 3,809 1,810 1,816 4,820 1,829 1,834 2,842 1,843 3,847 3,851 35,858 2,860 2,861 2,874 4.8,877 1,878 1,879 1,881 17.833,882 12.1,883 7.833,884 3.461,886 4.854,887 1.591,888 0.98,889 8.04,890 13.066,891 3.961,892 4.559,893 5.121,894 5.699,895 6.308,896 6.568,897 7.001,898 7.466,899 7.899,900 8.171,901 1,902 52,903 12.851,905 5.267,906 7.719,907 24.43,909 19.166,911 2.219,912 77.667,916 294.278,917 181.781,918 86.378,920 47.145,923 181.781,924 341.422,925 86.378,926 28.533,927 24.709,928 94.762,929 114.748,930 73.765,931 2.328,932 270.735,934 294.278,935 268.159,936 47.145,939 294.278,940 36.145,941 11,943 82.937,944 115.913,945 69.309,947 294.278,948 133.523,949 181.781,952 294.278,953 40.819,954 140.962,955 36.022,956 97.501,957 294.278,958 133.523,959 181.781,961 0.57,962 0.322,963 0.169,964 0.094,965 22,966 10,967 0.138,968 9,969 1,970 1.091,971 4.716,972 312.44,973 0.091,974 22,975 179.525,981 24.336,982 11.563,983 6.631,984 1.721,985 133.523,986 18.899,987 13.105,991 5.946,993 36.022,994 609.582,995 51.5,1000 11.491,1002 3.83,1004 -0.155,1007 62.211,1008 69.687,1009 0.26,1010 0.659,1011 0.864,1012 0.945,1013 0.951,1014 0.951,1015 5.169,1016 1.861,1017 5.974,1018 5.797,1019 4.635,1020 5.247,1021 2.488,1022 6.725,1023 4.557,1024 6.371,1025 1.504,1026 7.493,1027 5.512,1028 4.111,1029 4.997,1030 1.593,1031 7.486,1032 4.028,1033 7.665,1034 1.414,1035 9.107,1036 3.667,1037 6.172,1038 7.453,1039 3.32,1040 10.559,1041 6.028,1042 8.994,1043 1.383,1044 10.779,1045 3.545,1046 6.447,1047 8.021,1048 3.201,1049 12.157,1050 6.293,1051 10.351,1052 1.027,1053 12.487,1054 2.999,1055 7.962,1056 9.945,1057 4.508,1058 14.742,1059 7.759,1060 11.731,1061 1,1062 14.222,1063 2.286,1064 8.633,1065 10.932,1066 4.754,1067 16.724,1068 8.411,1069 13.127,1070 0.94,1071 15.978,1072 2.275,1073 9.908,1074 12.616,1075 5.82,1076 19.136,1077 9.647,1078 3.081,1079 0.483,1080 17.75,1081 1.745,1082 10.787,1083 13.834,1084 6.253,1085 21.301,1086 10.501,1087 2.895,1088 10.341,1089 19.536,1090 1.157,1091 11.956,1092 15.404,1093 7.18,1094 23.65,1095 11.637,1096 2.583,1097 8.927,1098 21.333,1099 4.47,1100 12.943,1101 16.748,1102 7.72,1103 25.9,1104 12.597,1105 2.421,1106 7.338,1107 23.141,1108 3.911,1109 14.067,1110 18.266,1111 8.563,1112 28.229,1113 13.69,1114 2.36,1115 6.918,1116 24.957,1117 3.595,1118 15.111,1119 19.677,1120 9.167,1121 30.519,1122 14.706,1123 2.236,1124 6.599,1125 26.78,1126 3.232,1127 16.218,1128 21.173,1129 9.96,1130 32.843,1131 15.785,1132 2.034,1133 6.063,1134 28.61,1135 2.966,1136 17.291,1137 22.62,1138 10.603,1139 35.152,1140 16.83,1141 19478,1142 32566,1143 25.542,1144 41.767,1145 55.955,1146 56.907,1147 56.87,1148 55.214,1149 55.313,1150 74.611,1151 9.474,1152 152.226,1153 53.036,1154 5.377,1155 5.601,1156 6.315,1157 5.132,1158 5.081,1159 7.47,1160 3.636,1161 17.186,1162 4.997,1163 16.95,1164 1.472,1165 1.498,1166 1.497,1167 1.453,1168 1.456,1169 1.963,1170 0.249,1171 4.006,1172 1.396,1173 4.087,1174 4.119,1175 4.053,1176 4.003,1177 7.429,1178 4.01,1179 3.944,1180 3.967,1181 3.896,1182 3.858,1183 5.085,1184 3.863,1185 3.83,1186 3.869,1187 3.769,1188 3.735,1189 4.975,1190 3.739,1191 3.712,1192 3.761,1193 3.626,1194 3.527,1195 4.736,1196 3.539,1197 3.533,1198 3.572,1199 3.455,1200 3.325,1201 4.609,1202 3.355,1203 3.332,1204 3.397,1205 3.21,1206 3.14,1207 4.548,1208 3.149,1209 3.217,1210 3.286,1211 3.095,1212 3.035,1213 4.308,1214 3.034,1215 3.179,1216 3.258,1217 2.999,1218 3.017,1219 4.222,1220 2.999,1221 0.119,1222 0.095,1223 0.172,1224 0.107,1225 0.081,1226 4.532,1227 0.118,1228 3.601,1229 0.053,1230 6.536,1231 0.272,1232 4.053,1233 0.079,1234 3.081,1235 4.47,1236 2.032,1237 10.341,1238 2.997,1239 2.031,1240 2.005,1241 2.099,1242 2.132,1243 1.221,1244 2.123,1245 1.91,1246 1.889,1247 2.012,1248 2.02,1249 1.129,1250 2.017,1251 1.81,1252 1.775,1253 1.938,1254 1.93,1255 0.994,1256 1.936,1257 1.64,1258 1.591,1259 1.816,1260 1.867,1261 0.946,1262 1.849,1263 1.452,1264 1.415,1265 1.673,1266 1.69,1267 0.752,1268 1.685,1269 1.288,1270 1.225,1271 1.555,1272 1.531,1273 0.618,1274 1.534,1275 1.201,1276 1.132,1277 1.52,1278 1.431,1279 0.584,1280 1.464,1281 1.196,1282 1.121,1283 1.48,1284 1.419,1285 0.524,1286 1.453,1287 4.344,1289 5.638,1291 7.124,1293 8.701,1295 10.328,1297 5.425,1303 0.467,1305 6.157,1306 10.781,1314 40.046,1315 96.032,1316 243.28,1317 318.896,1318 348.896,1319 350.896,1320 350.896,1321 56.08,1322 8.212,1323 98.26,1324 98.26,1325 24,1326 12.578,1327 4.7,1328 3.858,1329 59.763,1330 185,1331 223,1332 0.152,1333 248.094,1334 429.67,1335 597.11,1336 50363,1338 24.623,1339 0.704,1340 0.569,1341 24.623,1342 19.909,1343 17.012,1344 0.448,1345 0.294,1346 10.993,1347 16.321,1348 10.623,1349 8.912,1350 17.012,1351 11.168,1352 14.986,1353 0.294,1354 0.156,1355 14.986,1356 7.981,1357 12.116,1358 0.189,1359 0.081,1360 12.116,1361 5.212,1362 9.825,1363 0.121,1364 0.043,1365 9.825,1366 3.447,1367 8.179,1368 0.078,1369 0.022,1370 8.179,1371 2.33,1372 0.247,1373 106.9,1374 0.198,1375 33.048,1376 0.393,1377 178,1378 544.808,1379 195.684,1380 525.652,1381 718.87,1382 494,1383 204,1384 525.974,1385 221.519,1386 536.926,1387 773.19,1388 501,1389 5}
{0 CHEMBL484390,1 1.475,2 13.471,3 5.538,4 30.671,5 131.385,6 7.04,7 0.432,8 4.245,9 4.375,10 3.764,11 3.794,12 5.313,13 3.758,14 4.814,15 5.007,16 4.119,17 4.203,18 5.797,19 4.135,20 5.117,21 5.353,22 4.223,23 4.347,24 6.108,25 4.263,26 5.173,27 5.411,28 4.195,29 4.316,30 6.276,31 4.234,32 5.11,33 5.35,34 4.149,35 4.278,36 6.155,37 4.199,38 5.088,39 5.319,40 4.143,41 4.315,42 6.128,43 4.221,44 5.109,45 5.348,46 4.099,47 4.317,48 6.157,49 4.208,50 5.052,51 5.299,52 3.988,53 4.265,54 5.996,55 4.135,56 0.031,57 0.961,58 13.892,59 5.914,60 10.042,61 8.197,62 0.303,63 1.575,64 26.506,65 10.293,66 25.186,67 14.632,68 0.265,69 1.96,70 37.685,71 13.219,72 46.546,73 19.311,74 0.588,75 2.008,76 41.165,77 12.765,78 91.195,79 18.626,80 0.461,81 1.891,82 38.478,83 12.196,84 68.937,85 17.694,86 0.412,87 1.89,88 36.855,89 12.743,90 65.691,91 18.381,92 0.475,93 1.91,94 37.842,95 13.074,96 77.501,97 18.987,98 0.381,99 1.793,100 35.619,101 12.922,102 54.665,103 18.855,104 32,105 51,106 0.233,107 0.551,108 0.721,109 0.828,110 0.842,111 0.842,112 3.561,113 0.982,114 -5.11,115 -5.01,116 -4.69,119 41.5,120 1,121 7,122 1,124 1,125 1,142 7,143 2,144 1,146 1,152 1,158 3,162 1,172 15,174 2,175 9,178 3,180 1,183 14,188 13,193 2,196 7,199 3,200 15,205 5,208 3,212 1,213 10,218 3,221 8,224 1,225 9,228 1,230 1,233 12,237 2,238 8,241 1,246 14,249 1,250 7,253 1,255 1,258 12,263 2,264 7,269 2,272 10,276 2166,277 23.223,278 23.223,279 23.223,280 23.223,281 23.223,282 21.105,283 23.435,284 13.801,285 23.503,286 18.132,287 18.132,288 18.132,289 18.132,290 18.132,291 14.596,292 26.047,293 6.413,294 18.582,295 4.547,296 2.538,297 1.465,298 0.785,299 0.7,300 0.7,301 4.254,306 1,307 977,308 4.243,311 82.897,312 343.227,315 152.454,319 2.118,320 34.316,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 72.5,332 458,333 4.651,334 4.057,335 6.768,336 4.173,337 3.229,338 4.597,339 2.035,340 11.142,341 3.056,342 4.226,343 3.832,344 6.52,345 3.979,346 3.009,347 3.8,348 1.94,349 10.016,350 2.918,351 4.185,352 3.584,353 6.049,354 3.816,355 2.812,356 3.529,357 1.058,358 8.671,359 2.817,360 3.885,361 3.232,362 5.755,363 3.474,364 2.496,365 3.195,366 0.555,367 7.768,368 2.43,369 3.738,370 2.729,371 5.478,372 3.366,373 2.371,374 3.038,376 6.854,377 2.353,378 3.365,379 2.494,380 5.279,381 3.034,382 2.076,383 2.579,385 6.579,386 1.983,387 3.205,388 2.234,389 4.897,390 2.759,391 1.813,392 2.475,394 5.369,395 1.714,396 3.091,397 2.109,398 4.523,399 2.693,400 1.69,401 1.975,403 4.281,404 1.688,405 2.924,406 1.913,407 4.139,408 2.452,409 1.466,410 1.887,412 3.558,413 1.443,414 2.697,415 1.851,416 3.782,417 2.312,418 1.309,419 1.58,421 2.949,422 1.304,423 2.564,424 1.465,425 3.656,426 2.176,427 1.187,428 1.5,430 2.844,431 1.169,432 2.5,433 1.382,434 3.414,435 2,436 1,437 1.303,439 2.275,440 1,441 2.316,442 1.271,443 3.318,444 2,445 1,446 1.072,448 2.136,449 1,450 2.155,451 1,452 3.247,453 1.837,454 0.859,455 1,457 1.922,458 0.836,459 2,460 1,461 3.131,462 1.481,463 0.48,464 0.925,466 1.043,467 0.465,468 16.167,469 0.475,470 0.746,471 0.022,472 42.75,473 1.257,474 21,475 0.618,476 21.75,477 0.64,478 32.854,479 0.966,480 36.633,481 0.564,482 34.011,483 1,484 7.578,485 0.223,486 8.933,487 0.263,488 0.128,490 0.328,496 0.682,497 1.39,498 0.83,499 1.146,500 0.48,501 1.025,502 0.554,503 1.077,504 0.861,505 1.039,506 0.441,507 0.996,508 0.937,509 1.156,510 0.863,511 1.016,512 0.722,513 0.94,514 1.459,515 1.043,516 1.072,517 0.953,518 1.352,519 0.961,520 1.469,521 0.976,522 1.02,523 0.889,524 1.324,525 0.893,526 1.113,527 1.027,528 1.017,529 0.997,530 0.906,531 0.993,532 1.021,533 0.978,534 1.058,535 1.007,536 0.802,537 1.029,538 0.788,539 1.043,540 1.021,541 1.064,542 0.723,543 1.07,544 6,545 0.231,546 4.222,547 2.764,548 1.832,549 1.456,550 0.907,551 0.617,552 0.414,553 0.356,554 16618,555 39561,556 2.059,557 47.7,558 15,559 12,562 1,563 1,564 2,567 1.763,568 1.925,569 3.702,570 -0.392,577 95.882,578 1.475,579 3.484,580 4.557,581 5.237,582 5.322,583 5.322,584 3.231,585 4.793,586 5.052,587 3.857,588 2163.59,589 8.88,590 33318.3,595 391.454,596 1.419,597 5.016,598 0.162,599 0.007,600 0.083,601 0.05,602 0.036,603 0.029,604 0.018,605 0.013,606 0.01,607 0.009,608 0.417,609 0.17,610 1,611 1.096,612 182.669,613 -0.007,614 -0.184,615 0.053,616 -0.053,617 0.029,618 -0.004,619 0.223,620 0.038,621 0.069,622 -0.008,623 0.086,624 0.003,625 0.001,626 -0.14,627 0.111,628 -0.024,629 0.061,630 0.046,631 -0.066,632 -0.023,633 -0.045,634 -0.014,635 -0.057,636 -0.026,637 -0.148,638 0.041,639 -0.001,640 0.059,641 -0.12,642 0.052,643 -0.04,645 -0.033,646 -0.014,648 -0.02,649 -0.001,650 0.043,651 -0.075,652 -0.029,653 0.06,654 -0.055,655 0.041,656 -0.049,657 -0.057,658 -0.064,659 -0.017,660 -0.072,661 1.942,662 6.019,663 0.618,664 41.336,665 0.995,666 1.128,667 3.881,668 15.066,669 0.659,670 3.638,671 3.951,672 4.248,673 4.489,674 4.718,675 4.836,676 5.011,677 5.13,678 5.226,679 5.342,680 7.729,681 0.621,682 457.63,683 3.638,684 5.176,685 6.033,686 6.909,687 7.786,688 8.672,689 9.559,690 10.451,691 11.343,692 12.24,693 7.7,700 2,701 1,702 1,703 1,708 2,709 7,710 1,714 4,715 1,716 16,718 1,723 1,735 65,737 19,738 2,739 37,741 68,742 27,743 13,744 5,745 7,746 1,748 4,749 5,754 1,757 5,758 1,760 7,761 1,762 15,763 11,764 1,767 2,772 2,776 2,783 31,784 6,785 1,786 7,789 1,792 5,797 0.75,798 2,815 1,816 3,819 1,830 1,843 3,847 2,851 34,858 8,860 1,863 1,864 1,866 1,870 1,872 1,874 3.1,877 2,881 17.667,882 12.3,883 7.694,884 4.463,886 3.199,887 1.401,888 0.972,889 7.652,890 11.184,891 3.912,892 4.463,893 5.074,894 5.64,895 6.165,896 6.551,897 7.011,898 7.32,899 7.543,900 7.871,901 1,902 55,903 12.65,905 5.385,906 7.755,907 24.379,909 20.22,911 2.255,912 76.667,916 353.133,917 144.729,918 70.879,920 50.29,923 144.729,924 403.423,925 70.879,926 17.222,927 40.982,928 66.334,929 93.086,930 46.13,931 2.144,932 353.133,934 353.133,935 215.608,936 50.29,939 329.591,940 73.832,943 86.809,944 112.013,945 16.786,947 353.133,948 121.169,949 144.729,952 353.133,953 44.572,954 88.579,955 34.612,956 98.135,957 353.133,958 121.169,959 144.729,961 0.573,962 0.346,963 0.182,964 0.101,965 23,966 11,967 0.103,968 7,969 1,970 1.095,971 4.43,972 316.115,973 0.095,974 21,975 164.974,981 23.984,982 10.847,983 5.343,984 1.665,985 119.27,986 12.388,987 4.72,991 2.266,992 2.021,993 18.011,994 619.031,995 49,1000 25.875,1004 -0.11,1007 64.65,1008 73.308,1009 0.245,1010 0.579,1011 0.757,1012 0.87,1013 0.884,1014 0.884,1015 5.159,1016 1.69,1017 6.014,1018 5.369,1019 4.635,1020 5.15,1021 2.902,1022 6.834,1023 4.584,1024 6.36,1025 1.466,1026 7.582,1027 4.281,1028 4.205,1029 4.977,1030 1.668,1031 7.761,1032 4.115,1033 7.668,1034 1.309,1035 9.253,1036 3.558,1037 6.236,1038 7.349,1039 4.029,1040 10.876,1041 6.123,1042 9.013,1043 1.187,1044 10.985,1045 2.949,1046 6.661,1047 8.059,1048 3.13,1049 12.636,1050 6.499,1051 10.394,1052 1,1053 12.755,1054 2.844,1055 8.139,1056 9.897,1057 5.333,1058 15.267,1059 7.954,1060 11.8,1061 1,1062 14.551,1063 2.275,1064 8.949,1065 11.016,1066 4.539,1067 17.374,1068 8.71,1069 13.225,1070 0.859,1071 16.366,1072 2.136,1073 10.214,1074 12.65,1075 6.695,1076 19.841,1077 9.944,1078 3.229,1079 0.48,1080 18.194,1081 1.922,1082 11.202,1083 13.972,1084 5.912,1085 22.1,1086 10.877,1087 3.009,1088 11.142,1089 20.034,1090 1.043,1091 12.383,1092 15.526,1093 8.078,1094 24.512,1095 12.021,1096 2.812,1097 10.016,1098 21.882,1099 4.597,1100 13.454,1101 16.947,1102 7.263,1103 26.841,1104 13.037,1105 2.496,1106 8.671,1107 23.737,1108 3.8,1109 14.606,1110 18.473,1111 9.472,1112 29.234,1113 14.145,1114 2.371,1115 7.768,1116 25.599,1117 3.529,1118 15.715,1119 19.944,1120 8.602,1121 31.597,1122 15.199,1123 2.076,1124 6.854,1125 27.466,1126 3.195,1127 16.86,1128 21.462,1129 10.869,1130 33.987,1131 16.294,1132 1.813,1133 6.579,1134 29.337,1135 3.038,1136 17.989,1137 22.958,1138 9.936,1139 36.366,1140 17.368,1141 16020,1142 24965,1143 24.561,1144 42.836,1145 56.45,1146 59.499,1147 57.496,1148 54.892,1149 54.853,1150 70.441,1151 11.178,1152 156.927,1153 53.585,1154 5.651,1155 6.057,1156 6.627,1157 5.223,1158 5.229,1159 7.597,1160 4.069,1161 18.395,1162 5.056,1163 17.629,1164 1.526,1165 1.608,1166 1.554,1167 1.484,1168 1.483,1169 1.904,1170 0.302,1171 4.241,1172 1.448,1173 4.141,1174 4.185,1175 4.111,1176 4.01,1177 7.43,1178 4.029,1179 3.928,1180 3.952,1181 3.882,1182 3.868,1183 7.426,1184 3.868,1185 3.89,1186 3.941,1187 3.779,1188 3.771,1189 6.82,1190 3.762,1191 3.672,1192 3.738,1193 3.55,1194 3.53,1195 5.016,1196 3.52,1197 3.547,1198 3.616,1199 3.413,1200 3.344,1201 4.658,1202 3.361,1203 3.4,1204 3.438,1205 3.345,1206 3.202,1207 4.385,1208 3.231,1209 3.25,1210 3.307,1211 3.154,1212 3.082,1213 4.229,1214 3.091,1215 3.111,1216 3.206,1217 2.949,1218 2.941,1219 4.139,1220 2.91,1221 0.126,1222 0.11,1223 0.183,1224 0.113,1225 0.087,1226 4.651,1227 0.124,1228 4.057,1229 0.055,1230 6.768,1231 0.301,1232 4.173,1233 0.083,1234 3.229,1235 4.597,1236 2.035,1237 11.142,1238 3.056,1239 1.948,1240 1.916,1241 2.103,1242 2.075,1243 1.486,1244 2.078,1245 1.919,1246 1.897,1247 2.03,1248 2.018,1249 1.295,1250 2.028,1251 1.87,1252 1.822,1253 2.008,1254 1.995,1255 1.124,1256 2.002,1257 1.706,1258 1.639,1259 1.942,1260 1.889,1261 1.084,1262 1.907,1263 1.456,1264 1.391,1265 1.67,1266 1.705,1267 0.861,1268 1.697,1269 1.387,1270 1.33,1271 1.602,1272 1.638,1273 0.825,1274 1.628,1275 1.22,1276 1.175,1277 1.513,1278 1.442,1279 0.791,1280 1.44,1281 1.153,1282 1.064,1283 1.473,1284 1.376,1285 0.649,1286 1.429,1287 4.317,1289 5.631,1290 2.398,1291 7.146,1292 4.844,1293 8.748,1294 7.034,1295 10.395,1297 3.956,1303 8.066,1305 2.935,1308 0.096,1309 1.746,1312 8.983,1313 2.06,1314 40.385,1315 95.882,1316 226.458,1317 296.235,1318 340.434,1319 345.944,1320 345.944,1321 75.106,1322 7.985,1323 91.02,1324 91.02,1325 23,1326 12.766,1327 4.322,1328 3.7,1329 56.782,1330 157,1331 178,1332 0.176,1333 249.953,1334 437.06,1335 601.645,1336 33212,1338 24.079,1339 0.708,1340 0.585,1341 24.079,1342 19.881,1343 16.512,1344 0.446,1345 0.327,1346 11.986,1347 16.025,1348 11.684,1349 9.765,1350 16.512,1351 12.109,1352 14.317,1353 0.281,1354 0.176,1355 14.317,1356 8.989,1357 12.648,1358 0.183,1359 0.096,1360 12.648,1361 6.641,1362 10.064,1363 0.114,1364 0.052,1365 10.064,1366 4.585,1367 8.035,1368 0.072,1369 0.029,1370 8.035,1371 3.248,1372 0.278,1373 102.554,1374 0.202,1375 31.56,1376 0.481,1377 176,1378 478.384,1379 190.559,1380 470.158,1381 642.98,1382 438,1383 208,1384 476.442,1385 223.671,1386 483.985,1387 708.16,1388 456,1389 5.1}
{0 CHEMBL485556,1 1.579,2 13.486,3 3.311,4 10.966,5 130.118,6 7.502,7 0.421,8 4.23,9 4.356,10 3.793,11 3.763,12 5.382,13 3.748,14 4.778,15 4.957,16 4.16,17 4.173,18 5.887,19 4.127,20 5.087,21 5.303,22 4.247,23 4.32,24 6.177,25 4.257,26 5.151,27 5.377,28 4.22,29 4.295,30 6.322,31 4.227,32 5.087,33 5.319,34 4.189,35 4.251,36 6.198,37 4.192,38 5.065,39 5.286,40 4.228,41 4.275,42 6.255,43 4.211,44 5.072,45 5.297,46 4.161,47 4.265,48 6.251,49 4.191,50 5.009,51 5.239,52 4.067,53 4.213,54 6.177,55 4.118,56 0.052,57 0.96,58 12.43,59 5.387,60 16.973,61 7.194,62 0.344,63 1.537,64 23.931,65 9.529,66 43.243,67 13.149,68 0.385,69 1.906,70 35.515,71 12.235,72 75.788,73 17.254,74 0.746,75 1.955,76 39.385,77 12.2,78 112.152,79 17.233,80 0.524,81 1.841,82 36.933,83 11.658,84 89.176,85 16.524,86 0.576,87 1.834,88 35.297,89 12.103,90 89.034,91 17.008,92 0.555,93 1.828,94 35.742,95 11.874,96 97.365,97 16.767,98 0.58,99 1.719,100 33.481,101 11.577,102 102.628,103 16.661,104 43,105 53,106 0.251,107 0.602,108 0.756,109 0.832,110 0.846,111 0.846,112 3.589,113 0.927,114 -3.76,115 -3.72,116 -3.54,119 41.3,121 6,122 1,124 1,125 1,142 7,143 2,144 1,146 1,152 1,158 4,162 1,163 1,164 1,165 1,172 13,174 2,175 10,177 1,178 4,180 2,183 13,185 1,188 12,193 2,196 7,199 4,200 14,202 1,203 1,205 5,208 3,212 1,213 9,218 2,221 7,224 2,225 9,227 1,228 3,229 1,230 1,232 1,233 9,235 1,237 2,238 9,241 1,243 2,246 11,248 2,249 2,250 6,252 1,253 2,255 2,258 9,260 1,263 3,264 8,266 1,267 1,269 4,272 6,274 2,276 2394,277 23.507,278 23.507,279 23.507,280 23.507,281 23.507,282 21.182,283 24.946,284 13.781,285 23.763,286 18.649,287 18.649,288 18.649,289 18.649,290 18.649,291 14.793,292 28.086,293 6.466,294 19.058,295 4.398,296 2.182,297 1.212,298 0.734,299 0.647,300 0.647,301 4.28,306 1,307 1004,308 4.472,311 85.876,312 354.213,315 157.989,319 2.072,320 44.992,323 1,324 0.67,325 1,326 0.8,327 0.5,328 1,329 1,330 0.85,331 76,332 472,333 4.651,334 4.057,335 6.769,336 4.173,337 3.23,338 4.597,339 2.035,340 11.143,341 3.057,342 4.227,343 3.832,344 6.52,345 3.979,346 3.01,347 3.8,348 1.94,349 10.017,350 2.918,351 4.185,352 3.586,353 6.049,354 3.816,355 2.812,356 3.529,357 1.886,358 8.671,359 2.817,360 3.885,361 3.518,362 5.755,363 3.478,364 2.499,365 3.195,366 1.058,367 7.77,368 2.435,369 3.743,370 3.224,371 5.479,372 3.368,373 2.372,374 3.041,375 0.555,376 6.855,377 2.357,378 3.541,379 2.728,380 5.279,381 3.238,382 2.221,383 2.711,385 6.584,386 2.246,387 3.359,388 2.494,389 4.909,390 3.005,391 2.043,392 2.571,394 5.477,395 1.956,396 3.186,397 2.231,398 4.635,399 2.717,400 1.754,401 2.457,403 4.999,404 1.697,405 3.091,406 2.106,407 4.516,408 2.659,409 1.676,410 1.973,412 4.273,413 1.628,414 2.924,415 1.889,416 4.131,417 2.342,418 1.342,419 1.881,421 3.506,422 1.333,423 2.682,424 1.839,425 3.692,426 2.176,427 1.188,428 1.5,430 2.846,431 1.169,432 2.5,433 1.382,434 3.65,435 2,436 1,437 1.362,439 2.501,440 1,441 2.391,442 1.333,443 3.414,444 2,445 1,446 1.215,448 2.275,449 1,450 2.25,451 1.218,452 3.247,453 1.983,454 0.997,455 1,457 2.136,458 0.977,459 2,460 1,461 3.155,462 1.526,463 0.506,464 0.929,466 1.175,467 0.509,468 16.4,469 0.469,470 0.891,471 0.025,472 45.25,473 1.293,474 22.5,475 0.643,476 22.75,477 0.65,478 32.011,479 0.915,480 37.6,481 0.597,482 38.384,483 1.097,484 8.453,485 0.242,486 8.415,487 0.24,488 0.14,490 0.354,496 0.708,497 1.348,498 0.782,499 1.089,500 0.541,501 0.962,502 0.51,503 1.074,504 0.814,505 1.047,506 0.43,507 0.992,508 1.024,509 1.162,510 0.944,511 1.044,512 0.856,513 0.989,514 1.242,515 1.001,516 1.092,517 0.967,518 1.189,519 0.999,520 1.222,521 0.998,522 0.973,523 0.913,524 1.094,525 0.898,526 0.899,527 0.989,528 0.907,529 0.99,530 0.82,531 0.959,532 1.052,533 0.993,534 1.029,535 0.998,536 0.88,537 1.004,538 0.731,539 1.041,540 0.996,541 1.057,542 0.667,543 1.065,544 7,545 0.255,546 4.444,547 2.764,548 1.832,549 1.598,550 1.044,551 0.664,552 0.484,553 0.416,554 17745,555 48819,556 2.041,557 44.4,558 10,559 12,562 3,563 3,567 1.771,568 1.892,569 3.694,570 0.82,577 99.487,578 1.579,579 3.795,580 4.765,581 5.243,582 5.33,583 5.33,584 3.214,585 4.786,586 5.094,587 3.861,588 2297.36,589 8.971,590 36169.3,595 376.569,596 1.472,597 5.05,598 0.184,599 0.007,600 0.084,601 0.049,602 0.035,603 0.031,604 0.019,605 0.013,606 0.011,607 0.01,608 0.443,609 0.33,610 0.88,611 1.112,612 189.539,613 -0.059,614 -0.132,615 0.033,616 -0.018,617 -0.01,618 0.018,619 0.21,620 0.046,621 0.069,622 -0.012,623 0.114,624 -0.004,625 -0.091,626 -0.145,627 0.014,628 -0.047,629 -0.028,630 -0.005,631 -0.064,632 0.007,633 -0.088,634 -0.018,635 -0.093,636 -0.053,637 -0.132,638 -0.001,639 0.026,640 0.049,641 -0.104,642 0.065,643 0.097,644 0.02,645 0.067,646 -0.003,647 0.061,648 0.019,649 -0.045,650 0.017,651 -0.052,652 -0.02,653 0.026,654 -0.032,655 0.131,656 -0.041,657 -0.033,658 -0.061,659 0.103,660 -0.071,661 2.134,662 6.004,663 0.6,664 43.44,665 1.005,666 1.13,667 2.526,668 6.383,669 0.663,670 3.664,671 3.989,672 4.263,673 4.5,674 4.736,675 4.868,676 5.043,677 5.17,678 5.273,679 5.398,680 7.802,681 0.636,682 472.6,683 3.664,684 5.209,685 6.061,686 6.938,687 7.812,688 8.698,689 9.581,690 10.474,691 11.364,692 12.261,693 9.5,700 3,701 1,702 1,703 1,708 2,709 7,710 1,714 4,715 1,716 16,718 1,723 1,735 63,737 20,738 2,739 38,741 66,742 26,743 13,744 5,745 7,746 1,748 4,749 5,757 5,758 1,760 6,761 1,762 16,763 9,764 1,767 3,772 3,776 3,783 28,784 8,785 3,786 9,789 1,792 6,797 0.75,798 3,815 1,816 3,819 1,828 1,830 1,843 3,847 1,851 35,852 1,858 7,860 1,863 1,864 1,866 1,870 1,872 1,874 4.8,877 3,881 18.5,882 11.55,883 7.778,884 3.962,886 3.233,887 1.402,888 0.977,889 7.605,890 11.267,891 3.951,892 4.508,893 5.087,894 5.647,895 6.178,896 6.575,897 7.037,898 7.359,899 7.595,900 7.934,901 1,902 56,903 13.01,905 5.62,906 7.952,907 24.508,909 20.289,911 2.452,912 85.833,916 294.278,917 138.074,918 103.776,920 75.435,923 138.074,924 369.712,925 103.776,926 8.396,927 71.345,928 66.334,929 122.936,930 46.13,931 2.144,932 294.278,934 294.278,935 241.85,936 75.435,939 294.278,940 75.435,943 108.347,944 116.718,945 16.786,947 294.278,948 179.211,949 138.074,952 294.278,953 46.742,954 79.754,955 34.612,956 156.177,957 294.278,958 179.211,959 138.074,961 0.581,962 0.339,963 0.174,964 0.096,965 24,966 12,967 0.106,968 7,969 1,970 1.095,971 4.483,972 329.317,973 0.095,974 21,975 171.525,981 24.6,982 10.82,983 5.594,984 1.3,985 177.312,986 11.752,987 4.593,991 1.817,992 1.731,993 50.908,994 611.563,995 51,1000 37.278,1004 -0.757,1007 63.312,1008 71.185,1009 0.264,1010 0.635,1011 0.797,1012 0.877,1013 0.892,1014 0.892,1015 5.204,1016 1.754,1017 6.052,1018 5.477,1019 4.673,1020 5.196,1021 3.175,1022 6.868,1023 4.628,1024 6.413,1025 1.676,1026 7.62,1027 4.999,1028 4.29,1029 5.056,1030 2.221,1031 7.791,1032 4.216,1033 7.724,1034 1.342,1035 9.289,1036 4.273,1037 6.275,1038 7.385,1039 4.285,1040 10.892,1041 6.171,1042 9.069,1043 1.188,1044 11.015,1045 3.506,1046 6.711,1047 8.096,1048 3.728,1049 12.645,1050 6.565,1051 10.446,1052 1,1053 12.78,1054 2.846,1055 8.17,1056 9.917,1057 5.557,1058 15.273,1059 7.996,1060 11.846,1061 1,1062 14.571,1063 2.501,1064 8.978,1065 11.032,1066 5.127,1067 17.376,1068 8.752,1069 13.265,1070 0.997,1071 16.381,1072 2.275,1073 10.234,1074 12.66,1075 6.889,1076 19.843,1077 9.976,1078 3.23,1079 0.506,1080 18.206,1081 2.136,1082 11.218,1083 13.978,1084 6.48,1085 22.102,1086 10.905,1087 3.01,1088 11.143,1089 20.043,1090 1.175,1091 12.396,1092 15.53,1093 8.248,1094 24.513,1095 12.043,1096 2.812,1097 10.017,1098 21.889,1099 4.597,1100 13.464,1101 16.95,1102 7.809,1103 26.842,1104 13.054,1105 2.499,1106 8.671,1107 23.743,1108 3.8,1109 14.614,1110 18.475,1111 9.62,1112 29.236,1113 14.159,1114 2.372,1115 7.77,1116 25.603,1117 3.529,1118 15.722,1119 19.945,1120 9.126,1121 31.598,1122 15.211,1123 2.221,1124 6.855,1125 27.469,1126 3.195,1127 16.866,1128 21.462,1129 10.999,1130 33.988,1131 16.305,1132 2.043,1133 6.584,1134 29.339,1135 3.041,1136 17.994,1137 22.958,1138 10.437,1139 36.367,1140 17.376,1141 17153,1142 28682,1143 24.967,1144 41.773,1145 58.662,1146 62.033,1147 59.159,1148 56.899,1149 56.865,1150 73.548,1151 14.949,1152 163.391,1153 55.704,1154 5.651,1155 6.057,1156 6.57,1157 5.224,1158 5.23,1159 7.597,1160 4.069,1161 18.396,1162 5.057,1163 19.696,1164 1.544,1165 1.632,1166 1.557,1167 1.497,1168 1.496,1169 1.935,1170 0.393,1171 4.3,1172 1.466,1173 4.14,1174 4.184,1175 4.111,1176 4.009,1177 7.438,1178 4.028,1179 3.928,1180 3.952,1181 3.882,1182 3.868,1183 7.429,1184 3.868,1185 3.891,1186 3.941,1187 3.78,1188 3.771,1189 7.425,1190 3.762,1191 3.666,1192 3.72,1193 3.571,1194 3.485,1195 6.82,1196 3.499,1197 3.537,1198 3.594,1199 3.46,1200 3.306,1201 5.017,1202 3.336,1203 3.4,1204 3.438,1205 3.349,1206 3.202,1207 4.88,1208 3.231,1209 3.238,1210 3.287,1211 3.162,1212 3.057,1213 4.658,1214 3.075,1215 3.111,1216 3.206,1217 2.952,1218 2.941,1219 4.383,1220 2.91,1221 0.122,1222 0.107,1223 0.178,1224 0.11,1225 0.085,1226 4.651,1227 0.121,1228 4.057,1229 0.054,1230 6.769,1231 0.293,1232 4.173,1233 0.08,1234 3.23,1235 4.597,1236 2.035,1237 11.143,1238 3.057,1239 1.947,1240 1.916,1241 2.103,1242 2.074,1243 1.486,1244 2.077,1245 1.919,1246 1.897,1247 2.016,1248 2.017,1249 1.215,1250 2.023,1251 1.87,1252 1.822,1253 2.007,1254 1.995,1255 1.084,1256 2.002,1257 1.654,1258 1.597,1259 1.837,1260 1.873,1261 1.045,1262 1.863,1263 1.394,1264 1.34,1265 1.639,1266 1.67,1267 0.846,1268 1.641,1269 1.38,1270 1.329,1271 1.513,1272 1.638,1273 0.825,1274 1.616,1275 1.174,1276 1.135,1277 1.484,1278 1.415,1279 0.662,1280 1.429,1281 1.153,1282 1.064,1283 1.473,1284 1.376,1285 0.491,1286 1.406,1287 4.344,1289 5.666,1290 2.398,1291 7.18,1292 4.844,1293 8.777,1294 7.034,1295 10.419,1297 1.774,1301 5.36,1303 5.486,1305 2.798,1308 0.042,1309 1.673,1312 8.967,1313 2.02,1314 40.068,1315 99.487,1316 239.088,1317 300.188,1318 330.304,1319 335.814,1320 335.814,1321 87.82,1322 8.034,1323 134.11,1324 134.11,1325 23,1326 12.787,1327 4.392,1328 3.807,1329 59.292,1330 162,1331 186,1332 0.177,1333 248.223,1334 436.91,1335 597.425,1336 35036,1338 24.949,1339 0.713,1340 0.562,1341 24.949,1342 19.659,1343 16.867,1344 0.444,1345 0.309,1346 11.602,1347 16.265,1348 11.356,1349 9.412,1350 16.867,1351 11.748,1352 15.146,1353 0.286,1354 0.167,1355 15.146,1356 8.852,1357 12.834,1358 0.183,1359 0.093,1360 12.834,1361 6.487,1362 10.15,1363 0.114,1364 0.05,1365 10.15,1366 4.491,1367 8.125,1368 0.072,1369 0.028,1370 8.125,1371 3.153,1372 0.278,1373 105.555,1374 0.2,1375 32.271,1376 0.485,1377 182,1378 547.432,1379 199.8,1380 533.612,1381 715.78,1382 494,1383 214,1384 518.923,1385 231.666,1386 525.472,1387 763.66,1388 494,1389 5.1}
{0 CHEMBL49120,1 1.661,2 15.543,3 5.917,4 35.013,5 141.845,6 8.266,7 0.474,8 4.22,9 4.336,10 3.875,11 3.772,12 5.323,13 3.749,14 4.752,15 4.932,16 4.258,17 4.15,18 5.828,19 4.108,20 4.979,21 5.169,22 4.416,23 4.32,24 6.063,25 4.262,26 5.053,27 5.247,28 4.465,29 4.353,30 6.178,31 4.263,32 5.107,33 5.339,34 4.368,35 4.285,36 6.218,37 4.191,38 4.991,39 5.232,40 4.239,41 4.184,42 6.055,43 4.1,44 4.807,45 4.998,46 4.124,47 4.124,48 5.923,49 4.019,50 4.758,51 4.991,52 3.837,53 4.011,54 5.723,55 3.885,56 0.044,57 0.899,58 11.03,59 5.33,60 7.542,61 6.879,62 0.379,63 1.43,64 23.831,65 8.918,66 26.14,67 11.685,68 0.429,69 1.673,70 34.205,71 11.587,72 37.026,73 15.008,74 0.568,75 1.74,76 41.709,77 13.072,78 64.336,79 16.68,80 0.726,81 1.742,82 46.699,83 14.022,84 81.596,85 18.729,86 0.655,87 1.588,88 37.655,89 11.598,90 67.838,91 15.394,92 0.583,93 1.341,94 35.903,95 10.225,96 55.059,97 13.541,98 0.232,99 1.341,100 25.492,101 10.048,102 30.934,103 13.873,104 45,105 53,106 0.266,107 0.611,108 0.769,109 0.818,110 0.818,111 0.818,112 3.588,113 0.963,114 -5.64,115 -5.51,116 -5.14,119 41.9,120 2,124 1,125 4,135 1,136 1,142 7,143 2,144 4,145 1,147 1,150 1,158 1,172 7,174 3,175 9,178 2,180 2,183 11,187 1,188 8,193 2,196 10,199 2,200 7,203 1,205 1,208 9,213 18,216 1,218 1,221 5,224 1,225 6,228 1,230 1,233 3,237 2,238 10,243 1,246 8,250 4,253 1,258 8,263 1,264 3,269 4,272 4,276 2341,277 23.67,278 23.67,279 23.67,280 23.67,281 23.67,282 21.179,283 32.546,284 13.755,285 24.474,286 18.568,287 18.568,288 18.568,289 18.568,290 18.568,291 14.726,292 46.515,293 6.343,294 19.88,295 4.294,296 2.136,297 1.152,298 0.843,299 0.843,300 0.843,301 4.282,302 2,307 1158,308 3.808,312 445.328,316 170.169,319 2.616,320 34.323,323 0.5,324 0.83,325 0.67,326 0.7,327 0.5,328 0.83,329 1,330 0.72,331 75.167,332 544,333 4.617,334 3.774,335 6.941,336 4.258,337 3.291,338 4.242,339 1.2,340 11.619,341 3.179,342 4.312,343 3.302,344 6.527,345 3.892,346 2.96,347 3.954,348 0.86,349 10.134,350 2.743,351 4.059,352 2.985,353 5.795,354 3.652,355 2.699,356 3.644,357 0.8,358 7.86,359 2.571,360 3.835,361 2.906,362 5.576,363 3.417,364 2.487,365 3.244,366 0.4,367 7.397,368 2.311,369 3.566,370 2.765,371 5.315,372 3.351,373 2.421,374 2.854,375 0.293,376 6.832,377 2.237,378 3.436,379 2.623,380 5.255,381 3.189,382 2.234,383 2.573,385 6.613,386 2.112,387 3.339,388 2.613,389 5.209,390 2.943,391 1.991,392 2.5,394 6.025,395 1.877,396 3.281,397 2.172,398 4.914,399 2.851,400 1.913,401 2.481,403 5.673,404 1.782,405 3.232,406 2.106,407 4.841,408 2.707,409 1.879,410 2.431,412 5.104,413 1.441,414 2.811,415 1.68,416 4.159,417 2.327,418 1.336,419 1.93,421 3.353,422 1.317,423 2.525,424 1.537,425 3.729,426 2.119,427 1.193,428 1.5,430 2.535,431 1.094,432 2.5,433 1.286,434 3.447,435 2,436 1.007,437 1.457,439 2.508,440 1,441 2.261,442 1.028,443 3.414,444 1.941,445 1,446 1.25,448 2.275,449 0.925,450 1.871,451 1,452 3.206,453 1.591,454 0.618,455 0.618,457 0.936,458 0.6,459 1.618,460 0.744,461 3.076,462 1.378,463 0.389,464 0.505,466 0.877,467 0.37,468 17.095,469 0.488,470 0.853,471 0.024,472 45.75,473 1.307,474 22.5,475 0.643,476 23.25,477 0.664,478 32.135,479 0.918,480 37.505,481 0.605,482 36.955,483 1.056,484 9.005,485 0.257,486 7.901,487 0.226,488 0.191,490 0.339,496 0.743,497 1.464,498 0.596,499 1.027,500 0.611,501 0.936,502 0.891,503 0.934,504 0.653,505 0.755,506 0.604,507 0.775,508 1.152,509 1.085,510 0.857,511 0.866,512 0.881,513 0.849,514 1.131,515 1.088,516 0.927,517 1.003,518 1.302,519 1.027,520 0.887,521 1.068,522 0.866,523 1.013,524 0.857,525 0.924,526 1.246,527 0.834,528 0.738,529 0.617,530 1.118,531 0.698,532 0.937,533 1.071,534 1.38,535 1.255,536 0.983,537 1.187,538 0.601,539 1.151,540 0.685,541 1.087,542 0.619,543 1.124,544 7,545 0.219,546 4,547 2.688,548 2.324,549 1.306,550 1.011,551 0.481,552 0.397,553 0.235,554 19668,555 54785,556 2.041,557 43.5,559 19,561 1,562 1,564 6,567 1.761,568 1.892,569 3.841,570 -0.345,577 102.957,578 1.661,579 3.818,580 4.802,581 5.111,582 5.111,583 5.111,584 3.343,585 4.615,586 5.093,587 4.087,588 2431.47,589 8.911,590 39901.3,595 369.16,596 1.472,597 5.05,598 0.184,599 0.008,600 0.075,601 0.046,602 0.043,603 0.026,604 0.022,605 0.012,606 0.012,607 0.009,608 0.436,609 0.17,610 0.75,611 1.405,612 193.199,613 -0.033,614 -0.27,615 0.026,616 -0.095,617 -0.055,618 -0.029,619 0.047,620 0.2,621 0.092,622 0.158,623 0.078,624 0.135,625 -0.095,626 -0.025,627 0.045,628 0.087,629 0.033,630 0.088,631 -0.026,632 -0.066,633 0.044,634 -0.031,635 -0.024,636 -0.075,637 0.174,638 -0.121,639 0.129,640 -0.03,641 0.227,642 0.068,643 -0.087,644 0.156,645 0.148,646 0.318,647 0.018,648 0.254,649 0.063,650 -0.045,651 -0.214,652 -0.242,653 -0.019,654 -0.212,655 0.032,656 -0.143,657 -0.005,658 -0.142,659 0.01,660 -0.132,661 1.914,662 6.11,663 0.629,664 50.041,665 1.007,666 1.125,667 4.413,668 19.477,669 0.69,670 3.664,671 3.989,672 4.277,673 4.522,674 4.771,675 4.86,676 5.011,677 5.176,678 5.303,679 5.38,680 8.97,681 0.653,682 512.48,683 3.664,684 5.209,685 6.066,686 6.946,687 7.82,688 8.709,689 9.593,690 10.487,691 11.378,692 12.276,693 8.1,696 1,700 1,701 1,703 2,709 8,710 2,714 8,716 18,728 1,733 1,734 2,735 62,737 20,738 2,739 38,741 65,742 26,743 16,744 5,745 7,746 3,748 4,749 5,750 2,754 2,762 19,763 7,767 2,772 1,774 1,776 2,783 27,784 7,785 1,786 9,787 2,792 5,797 0.75,798 2,810 1,816 4,820 1,830 1,834 1,835 1,839 1,843 3,847 3,848 2,851 35,858 4,860 1,861 1,864 2,873 2,874 3.2,877 1,879 1,881 18.5,882 12.169,883 7.861,884 3.937,886 3.689,887 1.447,888 0.977,889 8.291,890 11.945,891 3.912,892 4.494,893 5.07,894 5.623,895 6.185,896 6.44,897 6.841,898 7.311,899 7.718,900 8.056,901 1,902 59,903 12.929,905 5.427,906 7.725,907 24.597,909 19.715,911 2.225,912 77.889,916 306.049,917 155.303,918 57.83,919 78.297,920 36.145,923 155.303,924 420.491,925 57.83,926 26.047,927 14.034,928 75.81,929 75.192,930 65.74,931 4.227,932 294.278,933 78.297,934 306.049,935 213.134,936 36.145,937 78.297,939 235.422,940 106.771,943 63.766,944 106.321,945 121.345,947 306.049,948 93.975,949 233.601,952 306.049,953 44.399,954 117.153,955 18.011,956 148.013,957 306.049,958 93.975,959 233.601,961 0.58,962 0.351,963 0.183,964 0.095,965 24,966 12,967 0.138,968 9,969 1,970 1.091,971 4.556,972 323.511,973 0.091,974 22,975 165.525,981 25.456,982 11.4,983 5.786,985 93.975,986 14.439,987 8.981,991 4.505,993 18.011,994 633.625,995 49,1000 13.11,1002 1.721,1004 0.153,1007 62.414,1008 69.781,1009 0.279,1010 0.641,1011 0.807,1012 0.858,1013 0.858,1014 0.858,1015 5.156,1016 1.913,1017 6.057,1018 6.025,1019 4.673,1020 5.182,1021 1.893,1022 6.88,1023 4.544,1024 6.361,1025 1.879,1026 7.629,1027 5.673,1028 4.29,1029 4.977,1030 0.57,1031 7.823,1032 4.068,1033 7.67,1034 1.336,1035 9.301,1036 5.104,1037 6.282,1038 7.346,1039 1.815,1040 10.938,1041 6.052,1042 9.013,1043 1.193,1044 11.031,1045 3.353,1046 6.711,1047 7.935,1048 0.801,1049 12.714,1050 6.406,1051 10.388,1052 1.007,1053 12.801,1054 2.535,1055 8.173,1056 9.794,1057 1.914,1058 15.379,1059 7.857,1060 11.785,1061 1,1062 14.598,1063 2.508,1064 8.981,1065 10.766,1066 1.074,1067 17.523,1068 8.608,1069 13.201,1070 0.618,1071 16.417,1072 2.275,1073 10.243,1074 12.404,1075 2.092,1076 20.038,1077 9.85,1078 3.291,1079 0.389,1080 18.253,1081 0.936,1082 11.237,1083 13.58,1084 1.404,1085 22.346,1086 10.799,1087 2.96,1088 11.619,1089 20.104,1090 0.877,1091 12.425,1092 15.109,1093 2.32,1094 24.807,1095 11.963,1096 2.699,1097 10.134,1098 21.967,1099 4.242,1100 13.508,1101 16.396,1102 1.768,1103 27.187,1104 13.01,1105 2.487,1106 7.86,1107 23.84,1108 3.954,1109 14.674,1110 17.871,1111 2.581,1112 29.632,1113 14.149,1114 2.421,1115 7.397,1116 25.721,1117 3.644,1118 15.801,1119 19.219,1120 2.15,1121 32.044,1122 15.244,1123 2.234,1124 6.832,1125 27.61,1126 3.244,1127 16.964,1128 20.667,1129 2.867,1130 34.484,1131 16.379,1132 1.991,1133 6.613,1134 29.505,1135 2.854,1136 18.114,1137 22.05,1138 2.538,1139 36.912,1140 17.498,1141 19019,1142 32213,1143 24.967,1144 42.79,1145 56.527,1146 58.159,1147 59.251,1148 56.338,1149 55.937,1150 71.626,1151 7.106,1152 161.806,1153 52.093,1154 5.516,1155 5.774,1156 6.559,1157 5.336,1158 5.291,1159 7.242,1160 2.293,1161 19.318,1162 5.179,1163 20.104,1164 1.488,1165 1.531,1166 1.559,1167 1.483,1168 1.472,1169 1.885,1170 0.187,1171 4.258,1172 1.371,1173 4.044,1174 4.074,1175 4.134,1176 3.962,1177 7.428,1178 3.965,1179 3.913,1180 3.936,1181 3.925,1182 3.831,1183 5.045,1184 3.833,1185 3.82,1186 3.855,1187 3.819,1188 3.714,1189 4.976,1190 3.724,1191 3.732,1192 3.805,1193 3.595,1194 3.534,1195 4.829,1196 3.536,1197 3.462,1198 3.514,1199 3.582,1200 3.253,1201 4.632,1202 3.285,1203 3.33,1204 3.407,1205 3.426,1206 3.127,1207 4.405,1208 3.12,1209 3.306,1210 3.399,1211 3.163,1212 3.123,1213 4.249,1214 3.089,1215 3.202,1216 3.28,1217 3.073,1218 3.008,1219 4.169,1220 3.007,1221 0.121,1222 0.099,1223 0.183,1224 0.112,1225 0.087,1226 4.617,1227 0.112,1228 3.774,1229 0.032,1230 6.941,1231 0.306,1232 4.258,1233 0.084,1234 3.291,1235 4.242,1236 1.2,1237 11.619,1238 3.179,1239 1.967,1240 1.949,1241 2.016,1242 2.084,1243 1.206,1244 2.064,1245 1.885,1246 1.861,1247 1.986,1248 1.995,1249 1.162,1250 1.996,1251 1.773,1252 1.743,1253 1.943,1254 1.925,1255 1.065,1256 1.936,1257 1.695,1258 1.618,1259 1.85,1260 1.88,1261 0.943,1262 1.884,1263 1.367,1264 1.317,1265 1.725,1266 1.624,1267 0.883,1268 1.638,1269 1.351,1270 1.256,1271 1.652,1272 1.584,1273 0.869,1274 1.618,1275 1.315,1276 1.246,1277 1.58,1278 1.555,1279 0.626,1280 1.573,1281 1.198,1282 1.114,1283 1.403,1284 1.405,1285 0.436,1286 1.423,1287 4.344,1289 5.666,1291 7.194,1293 8.818,1295 10.495,1297 5.953,1298 12.673,1303 3.545,1305 3.183,1306 5.839,1309 3.788,1314 40.513,1315 102.957,1316 236.738,1317 297.734,1318 316.896,1319 316.896,1320 316.896,1321 69.562,1322 8.256,1323 72.28,1324 72.28,1325 24,1326 12.801,1327 4.392,1328 3.585,1329 60.055,1330 189,1331 203,1332 0.155,1333 257.026,1334 450.18,1335 618.904,1336 49165,1337 3.2,1338 24.949,1339 0.713,1340 0.611,1341 25.949,1342 21.398,1343 16.905,1344 0.445,1345 0.321,1346 11.346,1347 15.714,1348 10.949,1349 9.097,1350 17.483,1351 12.199,1352 14.92,1353 0.282,1354 0.167,1355 15.661,1356 8.831,1357 13.052,1358 0.184,1359 0.091,1360 13.725,1361 6.492,1362 10.532,1363 0.116,1364 0.049,1365 11.36,1366 4.438,1367 8.401,1368 0.072,1369 0.022,1370 8.869,1371 2.598,1372 0.253,1373 111.774,1374 0.2,1375 32.883,1376 0.402,1377 182,1378 542.791,1379 229.342,1380 584.32,1381 784.89,1382 546,1383 215,1384 537.633,1385 255.447,1386 563.108,1387 829.76,1388 530,1389 6.1}
{0 CHEMBL491473,1 1.62,2 13.576,3 4.761,4 22.67,5 124.882,6 7.509,7 0.568,8 4.211,9 4.322,10 3.792,11 3.709,12 5.292,13 3.709,14 4.775,15 4.948,16 4.155,17 4.097,18 5.811,19 4.084,20 4.983,21 5.18,22 4.213,23 4.194,24 6.059,25 4.156,26 5.01,27 5.231,28 4.148,29 4.152,30 6.061,31 4.1,32 4.934,33 5.142,34 4.089,35 4.104,36 6.004,37 4.047,38 4.941,39 5.159,40 4.06,41 4.078,42 5.997,43 4.026,44 4.887,45 5.106,46 4.015,47 4.038,48 5.957,49 3.996,50 4.778,51 4.973,52 3.993,53 4.034,54 5.831,55 3.979,56 0.058,57 0.944,58 12.288,59 5.569,60 7.222,61 7.017,62 0.379,63 1.51,64 24.914,65 9.094,66 25.934,67 11.839,68 0.644,69 1.772,70 32.376,71 11.278,72 49.412,73 14.879,74 0.687,75 1.792,76 34.886,77 12.037,78 55.404,79 15.843,80 0.719,81 1.649,82 31.833,83 11.332,84 58.454,85 14.828,86 0.636,87 1.671,88 32.56,89 11.127,90 57.323,91 14.538,92 0.737,93 1.614,94 31.105,95 9.673,96 61.559,97 12.704,98 0.45,99 1.468,100 25.697,101 9.439,102 40.61,103 12.598,104 11,105 52,106 0.26,107 0.591,108 0.781,109 0.84,110 0.855,111 0.855,112 3.532,113 0.913,114 -4.48,115 -4.4,116 -4.15,119 41.7,120 1,121 3,124 1,125 4,142 5,143 2,144 4,146 1,147 1,148 1,152 2,172 4,174 2,175 11,180 4,183 3,187 1,188 8,193 1,196 4,199 3,200 5,208 6,212 3,213 3,216 1,221 5,224 2,225 7,233 5,237 1,238 4,241 1,243 1,246 3,249 1,250 8,255 1,258 4,264 5,267 1,269 1,272 3,276 2042,277 22.748,278 22.748,279 22.748,280 22.748,281 22.748,282 20.254,283 25.689,284 13.406,285 23.51,286 18.236,287 18.236,288 18.236,289 18.236,290 18.236,291 14.366,292 29.075,293 6.311,294 19.42,295 4.287,296 2.23,297 1.048,298 0.684,299 0.592,300 0.592,301 4.241,305 1,306 1,307 993,308 3.391,311 174.036,312 256.64,315 134.209,316 146.548,319 2.498,320 35.312,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 72.5,332 448,333 4.62,334 3.446,335 6.671,336 4.141,337 3.184,338 4.569,339 0.86,340 10.723,341 3.047,342 4.557,343 3.285,344 6.571,345 4.067,346 3.102,347 4.504,348 0.86,349 10.452,350 2.991,351 4.013,352 3.004,353 6.051,354 3.597,355 2.675,356 3.516,357 0.86,358 8.715,359 2.455,360 3.838,361 2.848,362 5.742,363 3.469,364 2.541,365 3.331,366 0.8,367 7.75,368 2.359,369 3.542,370 2.702,371 5.352,372 3.392,373 2.453,374 2.808,376 6.997,377 2.292,378 3.427,379 2.323,380 5.183,381 2.95,382 2.018,383 2.545,385 6.151,386 1.876,387 3.235,388 2.283,389 4.81,390 2.794,391 1.827,392 2.542,394 5.204,395 1.761,396 3.125,397 2.005,398 4.697,399 2.684,400 1.754,401 2.37,403 4.888,404 1.63,405 3.004,406 1.863,407 4.511,408 2.6,409 1.647,410 2.219,412 4.452,413 1.561,414 2.751,415 1.581,416 3.938,417 2.431,418 1.477,419 1.81,421 3.333,422 1.401,423 2.52,424 1.47,425 3.656,426 2.244,427 1.332,428 1.522,430 3.003,431 1.206,432 2.148,433 1.277,434 3.531,435 2.024,436 1.072,437 1.133,439 2.376,440 1.014,441 2.069,442 1.115,443 3.35,444 1.591,445 0.657,446 0.881,448 1.695,449 0.6,450 1.847,451 0.951,452 3.198,453 1.559,454 0.621,455 0.757,457 1.465,458 0.576,459 1.618,460 0.744,461 3,462 1.539,463 0.618,464 0.618,466 1.372,467 0.572,468 15.386,469 0.466,470 0.725,471 0.022,472 42,473 1.273,474 19.5,475 0.591,476 22.5,477 0.682,478 29.467,479 0.893,480 36.214,481 0.604,482 32.458,483 0.984,484 8.196,485 0.248,486 7.922,487 0.24,488 0.084,490 0.351,494 1,496 0.781,497 1.282,498 0.744,499 1.191,500 0.588,501 1,502 1.017,503 0.997,504 0.842,505 0.93,506 0.66,507 0.858,508 1.005,509 1.064,510 0.93,511 1.028,512 0.769,513 0.968,514 1.102,515 1.004,516 0.901,517 0.97,518 1.104,519 0.915,520 1.021,521 1.006,522 0.94,523 1.03,524 1.03,525 0.992,526 1.2,527 1.125,528 0.96,529 0.998,530 1.236,531 0.947,532 1.389,533 0.876,534 1.056,535 0.765,536 1.279,537 0.825,538 0.862,539 1.094,540 0.986,541 1.128,542 0.825,543 1.088,544 6,545 0.21,546 3.556,547 2.229,548 2.107,549 0.941,550 0.642,551 0.563,552 0.411,553 0.268,554 17177,555 41140,556 2.15,557 45,559 16,561 1,562 1,563 3,564 4,565 2,567 1.751,568 2.041,569 3.693,570 -0.352,577 97.18,578 1.62,579 3.677,580 4.859,581 5.223,582 5.315,583 5.315,584 3.279,585 4.741,586 5.009,587 3.903,588 2060.66,589 8.77,590 31239.1,592 1,595 354.413,596 1.301,597 4.989,598 0.162,599 0.007,600 0.068,601 0.043,602 0.044,603 0.021,604 0.015,605 0.013,606 0.01,607 0.007,608 0.39,609 0.17,610 0.88,611 0.62,612 176.565,613 -0.033,614 -0.195,615 0.072,616 -0.113,617 -0.003,618 -0.017,619 -0.058,620 0.007,621 0.078,622 0.066,623 0.044,624 0.096,625 0.054,626 -0.065,627 0.035,628 -0.04,629 0.146,630 -0.006,631 0.048,632 0.005,633 0.106,634 0.022,635 0.057,636 0.064,637 0.121,638 -0.01,639 0.052,640 -0.025,641 0.076,642 -0.011,643 -0.018,644 -0.099,645 0.05,646 -0.005,647 -0.009,648 0.028,649 -0.141,650 0.162,651 -0.036,652 0.184,653 -0.084,654 0.11,655 0.039,656 -0.081,657 -0.056,658 -0.125,659 0.022,660 -0.112,661 2.103,662 7.026,663 0.727,664 40.777,665 1.008,666 1.132,667 3.246,668 10.539,669 0.658,670 3.638,671 3.97,672 4.277,673 4.564,674 4.771,675 4.875,676 5.011,677 5.182,678 5.293,679 5.375,680 7.904,681 0.632,682 450.56,683 3.638,684 5.187,685 6.052,686 6.938,687 7.82,688 8.711,689 9.6,690 10.494,691 11.387,692 12.284,693 6.7,696 1,701 1,703 2,708 4,709 6,710 2,711 1,714 6,716 21,733 3,734 1,735 60,737 21,738 2,739 37,741 64,742 25,743 16,744 8,745 4,748 5,749 7,754 1,757 2,760 3,762 16,763 9,781 1,783 27,784 7,785 1,786 8,792 4,797 0.6,798 3,810 1,811 1,812 1,815 2,816 3,819 1,820 1,839 1,843 3,847 2,849 1,851 33,858 7,861 3,864 1,873 1,874 5,879 3,881 16.167,882 11.493,883 7.25,884 3.763,886 4.357,887 1.52,888 1.007,889 6.45,890 12.731,891 3.882,892 4.53,893 5.18,894 5.827,895 6.406,896 6.783,897 7.209,898 7.673,899 8.015,900 8.307,901 1,902 52,903 12.269,905 5.289,906 7.687,907 23.57,909 19.53,911 2.187,912 72.167,915 1,916 306.049,917 136.078,918 53.481,920 33,921 14.96,923 136.078,924 339.048,925 68.441,926 19.708,927 18.513,928 47.381,929 45.342,930 93.669,931 24.676,932 294.278,934 306.049,935 189.559,936 47.96,939 250.382,940 103.626,943 58.011,944 97.977,945 33.571,947 321.009,948 86.481,949 136.078,952 306.049,953 60.37,954 78.832,955 16.786,956 81.531,957 306.049,958 101.441,959 136.078,961 0.579,962 0.348,963 0.195,964 0.101,965 26,966 11,967 0.125,968 8,969 2,970 1.167,971 4.499,972 310.121,973 0.167,974 24,975 162.465,981 22.084,982 9.638,983 4.671,984 2.446,985 84.655,986 10.13,987 8.596,988 3.124,991 1.971,993 16.786,994 543.567,995 47.5,1007 60.505,1008 67.944,1009 0.274,1010 0.622,1011 0.823,1012 0.884,1013 0.9,1014 0.9,1015 5.125,1016 1.754,1017 6.033,1018 5.204,1019 4.654,1020 5.218,1021 1.856,1022 6.855,1023 4.535,1024 6.337,1025 1.647,1026 7.595,1027 4.888,1028 4.205,1029 5.13,1030 0.325,1031 7.756,1032 4.034,1033 7.657,1034 1.477,1035 9.258,1036 4.452,1037 6.256,1038 7.516,1039 1.557,1040 10.879,1041 6.036,1042 9.019,1043 1.332,1044 10.98,1045 3.333,1046 6.661,1047 8.298,1048 0.268,1049 12.618,1050 6.392,1051 10.416,1052 1.072,1053 12.741,1054 3.003,1055 8.145,1056 10.155,1057 1.308,1058 15.246,1059 7.839,1060 11.838,1061 0.657,1062 14.528,1063 2.376,1064 8.944,1065 11.334,1066 0.188,1067 17.332,1068 8.593,1069 13.279,1070 0.621,1071 16.335,1072 1.695,1073 10.209,1074 12.985,1075 1.087,1076 19.789,1077 9.824,1078 3.184,1079 0.618,1080 18.156,1081 1.465,1082 11.191,1083 14.347,1084 0.125,1085 22.025,1086 10.766,1087 3.102,1088 10.723,1089 19.989,1090 1.372,1091 12.371,1092 15.915,1093 0.89,1094 24.419,1095 11.912,1096 2.675,1097 10.452,1098 21.831,1099 4.569,1100 13.437,1101 17.359,1102 0.082,1103 26.721,1104 12.94,1105 2.541,1106 8.715,1107 23.68,1108 4.504,1109 14.587,1110 18.893,1111 0.718,1112 29.092,1113 14.056,1114 2.453,1115 7.75,1116 25.534,1117 3.516,1118 15.692,1119 20.374,1120 0.054,1121 31.425,1122 15.124,1123 2.018,1124 6.997,1125 27.394,1126 3.331,1127 16.833,1128 21.894,1129 0.571,1130 33.788,1131 16.229,1132 1.827,1133 6.151,1134 29.259,1135 2.808,1136 17.958,1137 23.393,1138 0.035,1139 36.134,1140 17.316,1141 15867,1142 24894,1143 25.255,1144 39.461,1145 54.966,1146 56.457,1147 56.473,1148 55.235,1149 55.254,1150 71.726,1151 6.76,1152 159.889,1153 51.828,1154 5.59,1155 5.446,1156 6.382,1157 5.244,1158 5.184,1159 7.569,1160 1.72,1161 18.01,1162 5.047,1163 13.396,1164 1.486,1165 1.526,1166 1.526,1167 1.493,1168 1.493,1169 1.939,1170 0.183,1171 4.321,1172 1.401,1173 4.143,1174 4.172,1175 4.114,1176 4.043,1177 8.201,1178 4.056,1179 4.04,1180 4.065,1181 4.014,1182 3.943,1183 5.134,1184 3.957,1185 3.861,1186 3.932,1187 3.729,1188 3.693,1189 4.918,1190 3.691,1191 3.579,1192 3.622,1193 3.504,1194 3.392,1195 4.775,1196 3.405,1197 3.494,1198 3.542,1199 3.39,1200 3.351,1201 4.502,1202 3.347,1203 3.409,1204 3.46,1205 3.286,1206 3.207,1207 4.451,1208 3.228,1209 3.17,1210 3.24,1211 3.013,1212 2.93,1213 4.322,1214 2.94,1215 3.024,1216 3.088,1217 2.925,1218 2.822,1219 4.076,1220 2.834,1221 0.125,1222 0.093,1223 0.18,1224 0.112,1225 0.086,1226 4.62,1227 0.123,1228 3.446,1229 0.023,1230 6.671,1231 0.29,1232 4.141,1233 0.082,1234 3.184,1235 4.569,1236 0.86,1237 10.723,1238 3.047,1239 1.997,1240 1.982,1241 2.045,1242 2.119,1243 1.24,1244 2.096,1245 1.901,1246 1.884,1247 1.964,1248 1.999,1249 1.211,1250 1.988,1251 1.663,1252 1.595,1253 1.901,1254 1.883,1255 1.165,1256 1.893,1257 1.606,1258 1.547,1259 1.86,1260 1.793,1261 1.114,1262 1.799,1263 1.577,1264 1.507,1265 1.806,1266 1.751,1267 0.909,1268 1.793,1269 1.379,1270 1.337,1271 1.617,1272 1.647,1273 0.886,1274 1.628,1275 1.289,1276 1.216,1277 1.589,1278 1.559,1279 0.584,1280 1.573,1281 1.126,1282 1.059,1283 1.369,1284 1.382,1285 0.443,1286 1.394,1287 4.317,1289 5.645,1290 3.045,1291 7.165,1292 5.283,1293 8.781,1294 7.273,1295 10.452,1297 3.473,1299 15.026,1303 7.491,1306 17.449,1309 2.461,1314 37.935,1315 97.18,1316 220.591,1317 291.52,1318 313.394,1319 318.904,1320 318.904,1321 56.611,1322 8.374,1323 72.5,1324 72.5,1325 28,1326 12.809,1327 4.459,1328 3.524,1329 47.967,1330 154,1331 166,1332 0.149,1333 227.63,1334 388.34,1335 547.176,1336 58561,1337 1.7,1338 22.786,1339 0.69,1340 0.571,1341 21.916,1342 18.858,1343 16.119,1344 0.436,1345 0.304,1346 11.048,1347 15.306,1348 10.798,1349 8.926,1350 15.691,1351 11.257,1352 14.382,1353 0.277,1354 0.16,1355 13.961,1356 8.343,1357 12.562,1358 0.177,1359 0.085,1360 11.939,1361 6.003,1362 10.724,1363 0.113,1364 0.046,1365 10.336,1366 4.342,1367 8.443,1368 0.072,1369 0.023,1370 8.099,1371 2.662,1372 0.237,1373 102.346,1374 0.199,1375 31.049,1376 0.398,1377 178,1378 578.586,1379 200.203,1380 521.051,1381 717.28,1382 492,1383 212,1384 534.902,1385 235.833,1386 531.359,1387 785.64,1388 499,1389 5.2}
{0 CHEMBL491758,1 1.555,2 9.238,3 4.417,4 19.511,5 80.171,6 8.245,7 0.783,8 3.645,9 3.768,10 3.297,11 3.218,12 4.871,13 3.219,14 4.078,15 4.227,16 3.61,17 3.536,18 5.33,19 3.517,20 4.313,21 4.531,22 3.607,23 3.554,24 5.567,25 3.513,26 4.211,27 4.453,28 3.406,29 3.399,30 5.314,31 3.348,32 4.099,33 4.327,34 3.453,35 3.357,36 5.336,37 3.346,38 4.062,39 4.253,40 3.426,41 3.355,42 5.376,43 3.347,44 4.031,45 4.247,46 3.239,47 3.254,48 5.28,49 3.215,50 3.896,51 4.142,52 2.947,53 3.071,54 5.069,55 2.998,56 0.046,57 0.593,58 5.516,59 2.662,60 5.277,61 3.182,62 0.138,63 0.909,64 9.217,65 4.366,66 11.61,67 5.335,68 0.378,69 1.117,70 14.991,71 5.145,72 40.277,73 6.796,74 0.241,75 0.932,76 14.432,77 4.957,78 25.888,79 6.541,80 0.257,81 0.892,82 12.51,83 3.962,84 25.611,85 5.143,86 0.206,87 0.925,88 11.217,89 4.165,90 30.666,91 4.647,92 0.207,93 0.85,94 11.449,95 4.064,96 26.972,97 4.757,98 0.214,99 0.705,100 11.175,101 3.96,102 30.083,103 4.777,104 2,105 30,106 0.283,107 0.502,108 0.601,109 0.704,110 0.755,111 0.798,112 3.103,113 0.845,114 -5.2,115 -5.1,116 -4.77,119 47.1,142 10,144 3,145 1,147 1,150 1,172 8,174 1,178 3,180 4,183 8,193 4,196 4,200 6,203 1,204 1,205 2,213 6,225 5,230 4,238 2,243 4,250 1,255 2,258 4,272 8,276 567,277 14.499,278 14.499,279 14.499,280 14.499,281 14.499,282 12.221,283 18.93,284 8.964,285 14.788,286 11.411,287 11.411,288 11.411,289 11.411,290 11.411,291 8.2,292 35.377,293 4.351,294 11.948,295 3.533,296 2.332,297 1.786,298 1.221,299 0.941,300 0.706,301 3.789,305 1,306 1,307 419,308 2.121,312 206.954,319 1.488,320 17.665,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 45.5,332 194,333 4.278,334 3.205,335 6.116,336 3.844,337 2.918,338 3.92,339 0.4,340 8.997,341 2.696,342 3.939,343 2.775,344 5.533,345 3.547,346 2.59,347 3.473,348 0.4,349 7.531,350 2.483,351 3.836,352 2.591,353 5.294,354 3.385,355 2.414,356 3.399,358 6.776,359 2.337,360 3.444,361 2.223,362 4.973,363 2.986,364 2.055,365 2.779,367 5.83,368 1.902,369 2.966,370 1.792,371 4.187,372 2.52,373 1.567,374 2.145,376 3.848,377 1.49,378 2.862,379 1.473,380 3.594,381 2.395,382 1.414,383 2.018,385 3.038,386 1.383,387 2.756,388 1.376,389 3.577,390 2.253,391 1.305,392 1.869,394 2.964,395 1.229,396 2.5,397 1,398 3.247,399 2,400 1,401 1.5,403 2.136,404 1,405 2.5,406 1,407 3.247,408 2,409 1,410 1.5,412 2.136,413 1,414 1.608,415 0.743,416 2.938,417 1.224,418 0.341,419 0.416,421 0.804,422 0.297,423 1.269,424 0.168,425 2.851,426 0.934,432 0.915,433 -0.098,434 2.266,435 0.502,436 -0.414,437 -0.518,439 -0.959,440 -0.373,441 0.672,442 -0.668,443 2.093,444 0.192,445 -0.76,446 -1.03,448 -1.897,449 -0.721,450 0.5,451 -0.74,452 1.555,454 -1,455 -1.297,457 -2.347,458 -0.914,459 0.5,460 -1,461 1.555,463 -1,464 -1.5,466 -2.347,467 -1,468 9.886,469 0.471,470 0.362,471 0.017,472 32.75,473 1.56,474 19,475 0.905,476 13.75,477 0.655,478 10.95,479 0.521,480 21.314,481 0.627,482 21.143,483 1.007,484 6.76,485 0.322,486 3.549,487 0.169,488 0.029,490 0.253,494 1,496 0.713,497 1.071,498 0.694,499 0.926,500 0.585,501 0.824,502 0.611,503 1.071,504 0.846,505 1.161,506 0.616,507 1.088,508 0.851,509 0.974,510 0.985,511 1.021,512 0.841,513 1.026,514 0.954,515 1.002,516 0.945,517 0.957,518 0.857,519 0.944,520 1.069,521 0.913,522 0.839,523 0.707,524 0.88,525 0.698,526 1.735,527 1.377,528 1.149,529 1.035,530 1.807,531 0.98,532 1.595,533 1.252,534 1.249,535 1.069,536 1.547,537 1.075,538 1.625,539 1.082,540 1.224,541 0.94,542 1.714,543 0.986,544 3.5,545 0.016,546 1.333,547 0.938,548 0.876,549 0.361,550 0.342,551 0.233,552 0.103,553 0.024,554 4633,555 13138,556 2.131,557 38.2,559 10,561 1,562 2,567 1.631,568 2.066,569 3.232,570 0.331,572 1,577 52.868,578 1.555,579 2.756,580 3.301,581 3.867,582 4.146,583 4.382,584 2.701,585 4.011,586 4.364,587 3.333,588 699.892,589 7.474,590 7533.3,592 1,594 1,595 172.974,596 1.049,597 4.355,598 0.152,599 0.002,600 0.044,601 0.033,602 0.038,603 0.014,604 0.014,605 0.012,606 0.007,607 0.002,608 0.321,609 0.5,610 1,611 0.418,612 95.438,613 -0.076,614 -0.108,615 0.024,616 -0.01,617 -0.081,618 0.023,619 0.137,620 -0.102,621 -0.061,622 -0.247,623 0.022,624 -0.223,625 0.186,626 0.022,627 -0.02,628 -0.099,629 0.111,630 -0.107,631 -0.011,632 -0.088,633 0.065,634 -0.021,635 -0.017,636 0.023,637 -0.022,638 0.074,639 0.148,640 0.202,641 0.067,642 0.22,643 -0.273,644 -0.14,645 -0.18,646 -0.08,647 -0.203,648 -0.098,649 -0.261,650 -0.112,651 -0.247,652 -0.116,653 -0.145,654 -0.157,655 -0.241,656 0.046,657 -0.142,658 0.074,659 -0.164,660 0.014,661 2.169,662 5.779,663 0.857,664 16.667,665 1.01,666 1.13,667 3.975,668 15.8,669 0.699,670 3.178,671 3.434,672 3.638,673 3.85,674 4.078,675 3.97,676 4.06,677 4.174,678 4.174,679 4.143,680 5.52,681 0.679,682 280.33,683 3.178,684 4.673,685 5.485,686 6.323,687 7.151,688 7.994,689 8.829,690 9.675,691 10.514,692 11.362,693 11.8,701 2,703 2,709 11,710 2,714 5,716 18,728 2,734 1,735 34,737 18,738 2,739 23,741 36,742 16,743 16,744 2,745 10,748 3,749 3,762 16,780 1,781 1,783 13,784 5,785 2,786 5,792 4,797 1,810 1,816 3,843 3,849 1,851 21,860 2,873 1,881 10.167,882 5.96,883 4.694,884 1.87,886 3.137,887 1.474,888 1.02,889 3.966,890 9.75,891 3.497,892 4.069,893 4.582,894 5.11,895 5.653,896 5.61,897 5.957,898 6.423,899 6.747,900 7.029,901 1,902 28,903 7.711,905 3.225,906 7.849,907 14.424,909 11.322,911 2.349,912 49.333,916 129.482,917 122.671,918 69.593,921 14.96,923 122.671,924 129.482,925 84.553,928 94.762,929 45.342,930 59.703,931 19.187,932 117.711,934 129.482,935 192.264,936 14.96,939 144.442,943 46.968,944 111.725,945 33.571,947 144.442,948 69.593,949 122.671,952 129.482,953 18.862,954 103.81,955 36.022,956 48.531,957 129.482,958 84.553,959 122.671,961 0.564,962 0.316,963 0.169,964 0.098,965 14,966 5,967 0.111,968 4,970 1,971 3.479,972 154.226,974 18,975 84.239,981 13.376,982 6.227,983 3.482,985 84.553,986 19.928,987 8.093,991 1.573,993 36.022,994 336.706,995 32,1007 34.338,1008 38.409,1009 0.306,1010 0.542,1011 0.649,1012 0.76,1013 0.815,1014 0.861,1015 4.668,1016 1,1017 5.416,1018 2.964,1019 4.111,1020 4.754,1021 0.495,1022 6.12,1023 4.014,1024 5.846,1025 1,1026 6.899,1027 2.136,1028 3.434,1029 4.227,1031 6.742,1032 3.228,1033 7.111,1034 0.341,1035 8.477,1036 2.136,1037 5.595,1038 6.876,1039 0.097,1040 9.821,1041 5.386,1042 8.409,1044 10.114,1045 0.804,1046 5.74,1047 7.135,1049 11.273,1050 5.399,1051 9.735,1052 -0.414,1053 11.788,1055 7.33,1056 9.229,1057 0.016,1058 13.819,1059 6.996,1060 11.081,1061 -0.76,1062 13.487,1063 -0.959,1064 7.892,1065 9.899,1067 15.64,1068 7.421,1069 12.444,1070 -1,1071 15.205,1072 -1.897,1073 9.206,1074 11.701,1075 0.003,1076 17.975,1077 8.733,1078 2.918,1079 -1,1080 16.936,1081 -2.347,1082 9.993,1083 12.616,1085 19.976,1086 9.388,1087 2.59,1088 8.997,1089 18.678,1090 -2.347,1091 11.17,1092 14.244,1094 22.223,1095 10.544,1096 2.414,1097 7.531,1098 20.429,1099 3.92,1100 12.08,1101 15.314,1103 24.317,1104 11.332,1105 2.055,1106 6.776,1107 22.186,1108 3.473,1109 13.189,1110 16.835,1112 26.526,1113 12.403,1114 1.567,1115 5.83,1116 23.95,1117 3.399,1118 14.167,1119 18.006,1121 28.667,1122 13.267,1123 1.414,1124 3.848,1125 25.718,1126 2.779,1127 15.245,1128 19.461,1130 30.864,1131 14.292,1132 1.305,1133 3.038,1134 27.491,1135 2.145,1136 16.26,1137 20.699,1139 33.029,1140 15.202,1141 4445,1142 7623,1143 15.89,1144 23.767,1145 33.55,1146 33.715,1147 33.722,1148 33.263,1149 33.207,1150 46.038,1151 1.6,1152 88.117,1153 31.635,1154 5.063,1155 5.205,1156 5.918,1157 4.916,1158 4.918,1159 6.92,1160 0.8,1161 15.243,1162 4.696,1163 5.464,1164 1.459,1165 1.466,1166 1.466,1167 1.446,1168 1.444,1169 2.002,1170 0.07,1171 3.831,1172 1.375,1173 3.97,1174 4.016,1175 3.927,1176 3.859,1177 8.201,1178 3.864,1179 3.879,1180 3.914,1181 3.809,1182 3.81,1183 4.977,1184 3.805,1185 3.757,1186 3.801,1187 3.712,1188 3.603,1189 4.767,1190 3.631,1191 3.129,1192 3.207,1193 3.058,1194 2.913,1195 4.713,1196 2.937,1197 2.994,1198 3.073,1199 2.896,1200 2.804,1201 4.095,1202 2.813,1203 2.854,1204 2.925,1205 2.687,1206 2.735,1207 3.913,1208 2.715,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.674,1214 2.715,1215 2.666,1216 2.729,1217 2.598,1218 2.482,1219 3.674,1220 2.5,1221 0.186,1222 0.139,1223 0.266,1224 0.167,1225 0.127,1226 4.278,1227 0.17,1228 3.205,1229 0.017,1230 6.116,1231 0.391,1232 3.844,1233 0.117,1234 2.918,1235 3.92,1236 0.4,1237 8.997,1238 2.696,1239 1.907,1240 1.873,1241 2.021,1242 2.044,1243 1.07,1244 2.032,1245 1.881,1246 1.85,1247 2.007,1248 1.976,1249 1.06,1250 1.988,1251 1.685,1252 1.642,1253 1.749,1254 1.858,1255 0.73,1256 1.84,1257 1.049,1258 0.981,1259 1.237,1260 1.311,1261 0.277,1262 1.293,1263 0.943,1264 0.876,1265 1.181,1266 1.187,1267 0.218,1268 1.184,1269 0.886,1270 0.821,1271 1.181,1272 1.062,1273 0.218,1274 1.107,1275 0.886,1276 0.821,1277 1.167,1278 1.062,1279 0.21,1280 1.107,1281 0.604,1282 0.543,1283 0.851,1284 0.837,1286 0.845,1287 3.85,1289 5.118,1291 6.586,1293 8.138,1295 9.73,1299 13.779,1305 5.961,1314 23.103,1315 52.868,1316 93.701,1317 112.245,1318 131.464,1319 140.974,1320 148.974,1321 26.978,1322 6.613,1323 49.84,1324 49.84,1325 18,1326 11.923,1327 4.248,1328 3.322,1329 32.176,1330 69,1331 63,1332 0.228,1333 144.097,1334 241.89,1335 343.355,1336 6091,1337 2.9,1338 14.493,1339 0.69,1340 0.53,1341 13.623,1342 11.123,1343 10.31,1344 0.448,1345 0.282,1346 6.388,1347 9.95,1348 6.287,1349 5.254,1350 9.899,1351 6.478,1352 8.896,1353 0.297,1354 0.146,1355 8.378,1356 4.372,1357 7.223,1358 0.195,1359 0.076,1360 6.674,1361 2.811,1362 5.8,1363 0.126,1364 0.04,1365 5.619,1366 1.824,1367 4.889,1368 0.084,1369 0.021,1370 4.511,1371 1.196,1372 0.355,1373 64.403,1374 0.251,1375 21.007,1376 0.628,1377 106,1378 360.067,1379 117.935,1380 331.391,1381 451.11,1382 310,1383 120,1384 334.122,1385 131.943,1386 334.271,1387 483.19,1388 315,1389 5.7}
{0 CHEMBL494089,1 1.633,2 10.226,3 1.839,4 3.383,5 117.484,6 7.337,7 0.441,8 4.177,9 4.306,10 3.724,11 3.613,12 5.301,13 3.615,14 4.724,15 4.917,16 4.099,17 4.009,18 5.793,19 3.997,20 4.962,21 5.18,22 4.127,23 4.137,24 6.028,25 4.082,26 5.008,27 5.256,28 4.141,29 4.13,30 5.989,31 4.073,32 4.865,33 5.063,34 4.153,35 4.107,36 5.923,37 4.086,38 4.962,39 5.152,40 4.205,41 4.179,42 6.093,43 4.151,44 5.06,45 5.28,46 4.191,47 4.198,48 6.178,49 4.144,50 5.003,51 5.247,52 3.964,53 4.127,54 5.95,55 4.031,56 0.189,57 0.894,58 12.784,59 4.687,60 19.748,61 6.664,62 0.323,63 1.386,64 24.179,65 7.835,66 34.585,67 11.55,68 0.662,69 1.584,70 32.423,71 10.069,72 65.938,73 14.886,74 0.765,75 1.589,76 35.185,77 10.417,78 55.895,79 15.813,80 0.445,81 1.531,82 28.462,83 8.521,84 37.944,85 12.822,86 0.584,87 1.685,88 31.229,89 8.874,90 54.292,91 13.487,92 0.88,93 1.752,94 35.761,95 9.718,96 75.414,97 15.157,98 0.601,99 1.588,100 34.2,101 10.099,102 55.822,103 15.703,104 32,105 49,106 0.266,107 0.622,108 0.791,109 0.852,110 0.852,111 0.852,112 3.473,113 0.921,114 -3.08,115 -3.08,116 -2.96,119 36.2,120 3,121 2,122 1,125 4,130 1,141 2,144 1,145 1,146 3,147 1,152 1,161 1,163 1,164 1,165 1,166 2,172 3,174 2,175 3,177 1,178 1,180 5,183 4,187 5,188 3,190 2,191 2,193 2,196 2,199 6,200 4,202 2,203 3,213 8,216 1,224 2,225 10,228 1,230 1,233 1,235 1,237 4,238 8,240 2,241 5,243 1,246 3,248 1,250 6,253 2,255 1,258 3,260 1,264 5,267 1,269 4,272 5,274 1,276 1787,277 20.731,278 20.731,279 20.731,280 20.731,281 20.731,282 18.794,283 25.311,284 12.073,285 21.286,286 16.736,287 16.736,288 16.736,289 16.736,290 16.736,291 13.57,292 27.057,293 5.647,294 17.635,295 4.225,296 2.041,297 1.001,298 0.625,299 0.625,300 0.625,301 4.164,305 1,306 1,307 676,308 3.937,311 141.873,312 187.538,315 126.052,319 1.652,320 32.754,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 68.5,332 317,333 4.798,334 3.811,335 7.083,336 4.315,337 3.37,338 4.775,339 1.128,340 12.281,341 3.185,342 4.364,343 3.464,344 6.46,345 4.058,346 3.102,347 3.942,348 0.86,349 9.999,350 2.955,351 4.241,352 3.006,353 6.393,354 3.848,355 2.891,356 3.524,357 0.4,358 9.889,359 2.763,360 3.796,361 2.831,362 5.85,363 3.508,364 2.535,365 3.119,367 7.957,368 2.469,369 3.642,370 2.616,371 5.514,372 3.348,373 2.4,374 3.014,376 7.081,377 2.27,378 3.473,379 2.424,380 5.323,381 3.15,382 2.221,383 2.501,385 6.73,386 2.054,387 3.18,388 1.8,389 4.729,390 2.522,391 1.582,392 2.184,394 4.632,395 1.483,396 2.925,397 1.667,398 4.506,399 2.44,400 1.492,401 1.878,403 4.115,404 1.414,405 2.667,406 1.607,407 3.844,408 2.384,409 1.445,410 1.587,412 3.15,413 1.352,414 2.561,415 1.211,416 3.638,417 2.103,418 1.134,419 1.524,421 2.619,422 1.097,423 2.498,424 1.181,425 3.43,426 1.956,427 1,428 1.369,430 2.136,431 0.954,432 2.236,433 1.129,434 3.384,435 1.819,436 0.875,437 1.081,439 2.125,440 0.822,441 2,442 0.977,443 3.247,444 1.698,445 0.783,446 1,448 1.964,449 0.712,450 1.813,451 0.73,452 3.211,453 1.53,454 0.591,455 0.711,457 1.335,458 0.552,459 1.537,460 0.431,461 2.957,462 1.228,463 0.278,464 0.336,466 0.483,467 0.263,468 14.3,469 0.461,470 0.888,471 0.029,472 36.25,473 1.169,474 15,475 0.484,476 21.25,477 0.685,478 31.557,479 1.018,480 34.9,481 0.602,482 28.911,483 0.933,484 6.695,485 0.216,486 8.176,487 0.264,488 0.156,489 0.035,490 0.308,496 0.839,497 1.432,498 0.814,499 1.172,500 0.971,501 1.013,502 0.904,503 1.199,504 0.755,505 1.029,506 0.624,507 0.883,508 0.947,509 1.035,510 0.929,511 1.028,512 1.036,513 0.994,514 0.795,515 0.84,516 0.761,517 0.834,518 0.583,519 0.804,520 1.139,521 1.2,522 0.918,523 1.016,524 0.828,525 0.931,526 1.25,527 1.27,528 1.127,529 1.136,530 1.017,531 1.104,532 0.986,533 1.047,534 1.122,535 1.071,536 1.016,537 1.103,538 0.892,539 1.073,540 1.091,541 1.124,542 0.769,543 1.13,544 6.5,545 0.203,546 3.556,547 2.104,548 2.016,549 1.49,550 0.848,551 0.794,552 0.454,553 0.316,554 11698,555 30519,556 2.057,557 46.6,558 2,559 8,561 1,562 4,564 11,565 1,567 1.746,568 1.908,569 3.3,570 1.664,572 1,577 94.736,578 1.633,579 3.817,580 4.857,581 5.233,582 5.233,583 5.233,584 2.777,585 4.518,586 4.918,587 3.515,588 1634.28,589 8.647,590 22872.1,592 1,594 1,595 339.763,596 1.595,597 4.87,598 0.191,599 0.007,600 0.073,601 0.044,602 0.041,603 0.029,604 0.016,605 0.016,606 0.012,607 0.009,608 0.438,609 0.17,610 1,611 1.159,612 158.544,613 0.056,614 -0.13,615 0.055,616 -0.023,617 -0.074,618 0.009,619 0.004,620 -0.055,621 0.172,622 0.033,623 0.191,624 0.121,625 0.065,626 0.007,627 0.034,628 -0.003,629 0.035,630 -0.002,631 0.18,632 0.14,633 0.225,634 0.156,635 0.117,636 0.187,637 -0.122,638 -0.085,639 0.029,640 0.02,641 -0.024,642 0.054,643 -0.16,644 -0.122,645 -0.176,646 -0.128,647 -0.07,648 -0.149,649 0.063,650 0.048,651 -0.151,652 -0.11,653 -0.024,654 -0.16,655 -0.042,656 -0.051,657 -0.136,658 -0.123,660 -0.136,661 2.409,662 4.022,663 0.645,664 33.205,665 1.009,666 1.143,667 1.85,668 3.424,669 0.638,670 3.555,671 3.912,672 4.174,673 4.489,674 4.736,675 4.913,676 5.1,677 5.288,678 5.38,679 5.398,680 6.431,681 0.613,682 425.55,683 3.555,684 5.118,685 5.974,686 6.878,687 7.763,688 8.677,689 9.577,690 10.498,691 11.409,692 12.334,693 12.1,695 1,697 1,701 1,703 4,708 2,709 1,710 4,712 1,714 5,715 1,716 15,727 1,733 1,735 58,737 16,739 34,741 61,742 21,743 8,748 4,749 5,754 3,757 2,758 1,760 2,761 2,762 8,763 11,764 2,780 1,783 27,784 9,785 4,786 10,789 1,792 7,797 0.75,798 3,801 1,809 1,815 2,816 2,819 1,823 2,838 1,841 1,843 3,847 3,851 31,852 1,857 1,858 6,860 1,861 1,863 1,865 1,866 1,872 2,874 5.2,875 1,879 2,881 16.25,882 11.283,883 6.736,884 3.675,886 3.184,887 1.408,888 0.93,889 6.263,890 10.987,891 3.795,892 4.413,893 5.069,894 5.726,895 6.276,896 6.815,897 7.342,898 7.822,899 8.162,900 8.432,901 0.857,902 48,903 11.447,905 4.883,906 7.75,907 21.801,909 17.87,911 2.25,912 69.75,916 270.735,917 105.264,918 125.571,920 63.644,923 105.264,924 334.379,925 125.571,926 26.476,927 15.979,928 93.591,929 86.863,930 44.808,931 38.533,932 258.964,934 270.735,935 230.835,936 63.644,939 129.482,940 162.214,941 42.683,943 81.397,944 42.613,945 106.825,947 270.735,948 189.215,949 105.264,952 270.735,953 35.68,954 37.422,955 52.072,956 169.306,957 270.735,958 189.215,959 105.264,961 0.586,962 0.328,963 0.182,964 0.103,965 24,966 11,967 0.082,968 5,969 1,970 1.1,971 4.078,972 290.216,973 0.1,974 20,975 151.58,981 21.728,982 8.935,983 4.73,984 1.3,985 187.316,986 1.662,987 16.786,989 4.782,991 2.053,992 1.941,993 93.591,994 565.215,995 43.5,1007 58.531,1008 66.268,1009 0.279,1010 0.652,1011 0.829,1012 0.893,1013 0.893,1014 0.893,1015 5.074,1016 1.492,1017 5.999,1018 4.632,1019 4.595,1020 5.1,1021 1.676,1022 6.868,1023 4.491,1024 6.315,1025 1.445,1026 7.595,1027 4.115,1028 4.369,1029 5.027,1031 8.034,1032 4.218,1033 7.657,1034 1.134,1035 9.3,1036 3.15,1037 6.282,1038 7.382,1039 1.684,1040 11.079,1041 6.08,1042 9.04,1043 1,1044 11.068,1045 2.619,1046 6.868,1047 8.191,1049 13.036,1050 6.613,1051 10.457,1052 0.875,1053 12.876,1054 2.136,1055 8.291,1056 10.027,1057 1.782,1058 15.672,1059 7.987,1060 11.9,1061 0.783,1062 14.71,1063 2.125,1064 9.213,1065 11.239,1067 17.931,1068 8.853,1069 13.361,1070 0.591,1071 16.563,1072 1.964,1073 10.467,1074 12.882,1075 1.924,1076 20.451,1077 10.057,1078 3.37,1079 0.278,1080 18.43,1081 1.335,1082 11.534,1083 14.281,1085 22.837,1086 11.067,1087 3.102,1088 12.281,1089 20.309,1090 0.483,1091 12.732,1092 15.857,1093 2.095,1094 25.327,1095 12.212,1096 2.891,1097 9.999,1098 22.196,1099 4.775,1100 13.863,1101 17.342,1103 27.77,1104 13.285,1105 2.535,1106 9.889,1107 24.092,1108 3.942,1109 15.046,1110 18.898,1111 2.286,1112 30.256,1113 14.414,1114 2.4,1115 7.957,1116 25.993,1117 3.524,1118 16.207,1119 20.421,1121 32.728,1122 15.517,1123 2.221,1124 7.081,1125 27.901,1126 3.119,1127 17.389,1128 21.974,1129 2.49,1130 35.217,1131 16.643,1132 1.582,1133 6.73,1134 29.813,1135 3.014,1136 18.566,1137 23.515,1139 37.703,1140 17.762,1141 11343,1142 18582,1143 22.364,1144 37.017,1145 53.082,1146 52.007,1147 52.67,1148 51.404,1149 51.398,1150 65.09,1151 4.776,1152 152.991,1153 48.685,1154 5.798,1155 5.811,1156 6.885,1157 5.397,1158 5.37,1159 7.775,1160 2.256,1161 19.91,1162 5.139,1163 16.436,1164 1.561,1165 1.53,1166 1.549,1167 1.512,1168 1.512,1169 1.914,1170 0.14,1171 4.5,1172 1.432,1173 4.147,1174 4.185,1175 4.134,1176 3.996,1177 6.453,1178 4.026,1179 3.852,1180 3.916,1181 3.77,1182 3.704,1183 5.437,1184 3.698,1185 3.778,1186 3.815,1187 3.71,1188 3.599,1189 5.091,1190 3.616,1191 3.687,1192 3.728,1193 3.603,1194 3.485,1195 4.85,1196 3.523,1197 3.478,1198 3.554,1199 3.347,1200 3.273,1201 4.626,1202 3.273,1203 3.316,1204 3.378,1205 3.175,1206 3.118,1207 4.557,1208 3.117,1209 3.126,1210 3.209,1211 2.986,1212 2.945,1213 4.362,1214 2.933,1215 3.058,1216 3.154,1217 2.921,1218 2.89,1219 4.195,1220 2.913,1221 0.141,1222 0.112,1223 0.208,1224 0.127,1225 0.099,1226 4.798,1227 0.14,1228 3.811,1229 0.033,1230 7.083,1231 0.361,1232 4.315,1233 0.094,1234 3.37,1235 4.775,1236 1.128,1237 12.281,1238 3.185,1239 1.902,1240 1.876,1241 2.058,1242 2.053,1243 1.422,1244 2.049,1245 1.824,1246 1.767,1247 1.955,1248 1.991,1249 1.146,1250 1.991,1251 1.687,1252 1.642,1253 1.883,1254 1.872,1255 1.001,1256 1.871,1257 1.598,1258 1.55,1259 1.774,1260 1.793,1261 0.927,1262 1.789,1263 1.385,1264 1.313,1265 1.588,1266 1.624,1267 0.871,1268 1.618,1269 1.289,1270 1.223,1271 1.551,1272 1.527,1273 0.599,1274 1.54,1275 1.093,1276 1.035,1277 1.417,1278 1.477,1279 0.592,1280 1.392,1281 1.021,1282 0.918,1283 1.384,1284 1.328,1285 0.469,1286 1.357,1287 4.234,1289 5.58,1290 3.045,1291 7.107,1292 5.416,1293 8.722,1294 7.545,1295 10.389,1297 5.223,1301 5.931,1302 10.022,1303 5.417,1305 3.405,1306 6.211,1308 0.436,1310 -1.159,1313 5.742,1314 35.562,1315 94.736,1316 221.391,1317 281.724,1318 303.498,1319 303.498,1320 303.498,1321 59.71,1322 7.803,1323 137.14,1324 137.14,1325 22,1326 12.842,1327 4.087,1328 3.392,1329 48.939,1330 113,1331 135,1332 0.205,1333 218.766,1334 371.97,1335 525.548,1336 24280,1338 22.01,1339 0.71,1340 0.58,1341 22.01,1342 17.974,1343 14.87,1344 0.437,1345 0.307,1346 10.248,1347 14.082,1348 9.958,1349 8.295,1350 14.87,1351 10.438,1352 14.063,1353 0.287,1354 0.167,1355 14.063,1356 8.178,1357 11.026,1358 0.172,1359 0.08,1360 11.026,1361 5.138,1362 9.406,1363 0.107,1364 0.041,1365 9.406,1366 3.636,1367 7.65,1368 0.068,1369 0.022,1370 7.65,1371 2.502,1372 0.313,1373 94.727,1374 0.211,1375 28.671,1376 0.594,1377 166,1378 505.491,1379 187.734,1380 484.063,1381 670.27,1382 452,1383 196,1384 521.033,1385 219.956,1386 517.907,1387 756.84,1388 485,1389 5}
{0 CHEMBL497151,1 1.983,2 9.826,3 3.635,4 13.216,5 91.792,6 14.104,7 0.808,8 3.628,9 3.677,10 3.769,11 3.346,12 4.932,13 3.302,14 4.05,15 4.113,16 4.246,17 3.753,18 5.412,19 3.67,20 4.163,21 4.255,22 4.231,23 3.772,24 5.411,25 3.643,26 4.086,27 4.203,28 3.999,29 3.616,30 5.249,31 3.517,32 3.964,33 4.08,34 3.921,35 3.457,36 5.176,37 3.431,38 4.015,39 4.144,40 3.866,41 3.519,42 5.308,43 3.449,44 4,45 4.147,46 3.954,47 3.508,48 5.182,49 3.355,50 3.718,51 3.854,52 4.014,53 3.312,54 5.047,55 3.087,56 0.169,57 0.42,58 4.176,59 2.159,60 9.792,61 1.868,62 0.341,63 0.686,64 7.496,65 3.684,66 20.951,67 3.091,68 0.385,69 0.802,70 33.897,71 7.505,72 21.735,73 4.956,74 0.32,75 0.726,76 30.582,77 6.678,78 17.88,79 4.554,80 0.256,81 0.617,82 11.734,83 4.762,84 14.579,85 3.764,86 0.326,87 0.714,88 9.739,89 4.067,90 20.691,91 3.571,92 0.373,93 0.675,94 16.666,95 5.365,96 20.335,97 4.692,98 0.31,99 0.521,100 24.73,101 5.76,102 23.246,103 4.084,104 5,105 37,106 0.362,107 0.685,108 0.801,109 0.858,110 0.858,111 0.858,112 3.189,113 0.972,114 -4.58,115 -4.5,116 -4.24,119 48.4,142 5,143 1,144 3,145 2,149 1,152 2,162 1,166 1,172 3,174 2,175 3,178 2,183 6,187 1,188 9,191 1,196 4,200 6,208 2,213 4,218 2,221 4,224 4,225 2,230 1,233 4,237 2,246 3,250 5,253 2,258 1,264 6,272 1,276 713,277 15.687,278 15.687,279 15.687,280 15.687,281 15.687,282 13.199,283 10.388,284 9.19,285 16.395,286 12.869,287 12.869,288 12.869,289 12.869,290 12.869,291 9.17,292 10.078,293 4.434,294 14.193,295 2.971,296 1.202,297 0.568,298 0.258,299 0.258,300 0.258,301 3.888,305 1,306 1,307 500,308 2.236,311 100.166,312 127.149,315 86.747,319 1.573,320 19.194,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 49.9,332 226,333 4.598,334 3.275,335 6.6,336 4.092,337 3.156,338 4.545,339 0.86,340 10.592,341 2.952,342 4.171,343 2.969,344 6.097,345 3.72,346 2.791,347 3.808,349 8.915,350 2.586,351 4.006,352 2.818,353 5.494,354 3.518,355 2.594,356 3.615,358 7.351,359 2.375,360 3.619,361 2.617,362 5.16,363 3.128,364 2.246,365 3.029,367 6.307,368 1.981,369 3.414,370 2.305,371 4.988,372 2.939,373 2.06,374 2.726,376 5.811,377 1.746,378 3.237,379 1.976,380 4.828,381 2.716,382 1.813,383 2.538,385 5.369,386 1.456,387 2.961,388 1.508,389 4.179,390 2.419,391 1.483,392 2.174,394 3.737,395 1.383,396 2.533,397 1.144,398 3.996,399 2,400 1.071,401 1.547,403 2.958,404 1,405 2.5,406 1,407 3.414,408 1.976,409 1,410 1.5,412 2.275,413 0.958,414 2.166,415 0.915,416 3.34,417 1.63,418 0.695,419 1.003,421 1.832,422 0.641,423 2.104,424 0.673,425 3.267,426 1.535,427 0.663,428 0.945,430 1.649,431 0.558,432 1.442,433 0.489,434 2.856,435 0.967,436 0.128,437 0.163,439 0.309,440 0.066,441 1.015,442 -0.019,443 2.451,444 0.48,445 -0.351,446 -0.454,448 -0.832,449 -0.151,450 0.514,451 -0.313,452 2.301,453 0.143,454 -0.722,455 -0.849,457 -1.758,458 -0.553,459 0.5,460 -0.547,461 2,463 -0.897,464 -1.138,466 -2.362,467 -0.656,468 12.176,469 0.529,470 0.571,471 0.025,472 34.5,473 1.5,474 19,475 0.826,476 15.5,477 0.674,478 16.474,479 0.716,480 22.024,481 0.71,482 20.577,483 0.895,484 6.44,485 0.28,486 4.746,487 0.206,488 0.162,490 0.329,496 0.862,497 0.908,498 0.462,499 0.521,500 0.947,501 0.603,502 0.647,503 0.812,504 0.598,505 0.614,506 0.489,507 0.71,508 0.996,509 1.094,510 1.13,511 1.165,512 0.729,513 1.126,514 1.041,515 1.105,516 0.928,517 1.018,518 0.78,519 1.083,520 0.921,521 1.081,522 0.342,523 0.652,524 0.761,525 0.857,526 0.753,527 0.852,528 0.361,529 0.52,530 0.925,531 0.89,532 0.748,533 0.933,534 0.65,535 0.741,536 0.761,537 1.029,538 0.754,539 1.178,540 1.614,541 1.485,542 0.998,543 1.302,544 5,545 0.081,546 2.444,547 1.229,548 1.376,549 0.434,550 0.432,551 0.355,552 0.164,553 0.105,554 5950,555 23248,556 2.168,557 25.8,559 5,561 2,562 1,567 1.657,568 2.06,569 3.273,570 -0.198,572 1,575 1,577 61.467,578 1.983,579 3.752,580 4.386,581 4.696,582 4.696,583 4.696,584 2.736,585 4.263,586 4.492,587 3.39,588 857.749,589 7.736,590 9608.25,592 1,594 1,595 153.58,596 1.302,597 4.469,598 0.192,599 0.009,600 0.066,601 0.037,602 0.047,603 0.015,604 0.015,605 0.015,606 0.01,607 0.008,608 0.416,609 0.33,610 1,611 0.503,612 107.197,613 -0.039,614 -0.011,615 -0.006,616 0.031,617 -0.164,618 0.029,619 0.208,620 0.146,621 -0.008,622 0.058,623 0.213,624 -0.007,625 -0.032,626 -0.143,627 -0.117,628 -0.143,629 0.016,630 -0.17,631 -0.118,632 -0.153,633 -0.09,634 -0.133,635 -0.126,636 -0.125,637 -0.07,638 -0.181,639 0.044,640 -0.093,641 0.009,642 0.01,643 0.075,644 0.155,645 0.01,646 0.025,647 -0.032,648 -0.064,649 0.135,650 0.021,651 0.012,652 0.055,653 0.053,654 0.014,655 0.21,656 -0.202,657 -0.084,658 -0.098,659 0.273,660 -0.095,661 2.119,662 3.188,663 0.87,664 18.957,665 1.035,666 1.097,667 3.348,668 11.21,669 0.838,670 3.296,671 3.638,672 3.912,673 4.205,674 4.419,675 4.511,676 4.654,677 4.852,678 4.883,679 4.883,680 5.672,681 0.784,682 437.23,683 3.296,684 4.844,685 5.7,686 6.586,687 7.462,688 8.353,689 9.238,690 10.131,691 11.022,692 11.918,693 9.7,703 3,708 2,709 7,710 3,712 1,713 1,714 6,716 21,732 1,733 1,734 1,735 31,737 21,738 1,739 26,741 34,742 15,743 15,744 2,745 4,748 4,749 5,762 15,780 1,783 8,784 6,785 1,786 8,787 2,788 1,792 3,797 0.75,798 3,809 1,815 2,816 2,819 1,843 3,845 1,850 1,851 23,857 1,861 1,869 1,873 1,874 9.7,876 1,879 2,881 11.167,882 5.776,883 4.917,884 1.687,886 3.892,887 1.53,888 1.025,889 4.003,890 11.24,891 3.624,892 4.304,893 4.94,894 5.585,895 6.098,896 6.477,897 6.946,898 7.483,899 7.785,900 8.093,901 0.857,902 33,903 8.406,905 3.611,906 7.817,907 15.781,909 12.883,911 2.317,912 53.287,916 82.398,917 173.484,918 53.168,920 63.417,922 88.06,923 85.424,924 145.815,925 53.168,928 47.381,929 119.393,930 56.673,931 2.104,932 146.915,934 82.398,935 138.592,936 63.417,937 31.278,938 56.782,939 84.726,940 63.417,943 18.891,944 64.205,945 53.168,946 88.06,947 82.398,948 116.585,949 116.702,950 56.782,952 82.398,953 51.226,954 122.258,956 116.585,957 82.398,958 116.585,959 116.702,960 56.782,961 0.587,962 0.336,963 0.182,964 0.102,965 20,966 8,967 0.088,968 3,969 1,970 1.1,971 3.614,972 189.683,973 0.1,974 20,975 100.042,977 1,981 14.986,982 6.143,983 3.084,984 1.843,985 116.585,986 13.091,987 11.752,989 4.606,990 1.451,991 3.184,993 42.683,994 372.466,995 36.5,1007 32.084,1008 34.009,1009 0.4,1010 0.757,1011 0.885,1012 0.948,1013 0.948,1014 0.948,1015 4.846,1016 1.071,1017 5.687,1018 3.737,1019 4.317,1020 4.99,1021 0.908,1022 6.491,1023 4.133,1024 6.08,1025 1,1026 7.236,1027 2.958,1028 3.892,1029 4.808,1031 7.334,1032 3.549,1033 7.397,1034 0.695,1035 8.88,1036 2.275,1037 5.905,1038 7.272,1039 0.739,1040 10.434,1041 5.575,1042 8.751,1043 0.663,1044 10.579,1045 1.832,1046 6.293,1047 7.942,1049 12.125,1050 5.835,1051 10.135,1052 0.128,1053 12.316,1054 1.649,1055 7.769,1056 9.84,1057 0.593,1058 14.731,1059 7.308,1060 11.542,1061 -0.351,1062 14.078,1063 0.309,1064 8.536,1065 10.924,1067 16.787,1068 7.97,1069 12.966,1070 -0.722,1071 15.861,1072 -0.832,1073 9.796,1074 12.585,1075 0.469,1076 19.223,1077 9.208,1078 3.156,1079 -0.897,1080 17.66,1081 -1.758,1082 10.749,1083 13.88,1085 21.441,1086 10.071,1087 2.791,1088 10.592,1089 19.471,1090 -2.362,1091 11.921,1092 15.441,1093 0.366,1094 23.817,1095 11.206,1096 2.594,1097 8.915,1098 21.293,1099 4.545,1100 12.965,1101 16.842,1103 26.107,1104 12.17,1105 2.246,1106 7.351,1107 23.124,1108 3.808,1109 14.105,1110 18.363,1111 0.283,1112 28.463,1113 13.261,1114 2.06,1115 6.307,1116 24.962,1117 3.615,1118 15.193,1119 19.817,1121 30.786,1122 14.277,1123 1.813,1124 5.811,1125 26.806,1126 3.029,1127 16.324,1128 21.325,1129 0.217,1130 33.138,1131 15.352,1132 1.483,1133 5.369,1134 28.656,1135 2.726,1136 17.435,1137 22.805,1139 35.477,1140 16.394,1141 5594,1142 11217,1143 17.8,1144 25.972,1145 39.808,1146 39.805,1147 40.131,1148 39.68,1149 39.4,1150 55.187,1151 1.72,1152 114.213,1153 35.4,1154 5.359,1155 5.275,1156 6.126,1157 5.239,1158 5.156,1159 7.545,1160 1.72,1161 17.519,1162 4.952,1163 8.847,1164 1.531,1165 1.531,1166 1.543,1167 1.526,1168 1.515,1169 2.123,1170 0.066,1171 4.393,1172 1.362,1173 4.089,1174 4.094,1175 10.695,1176 4.091,1177 6.492,1178 4.039,1179 3.869,1180 3.888,1181 4.34,1182 4.002,1183 5.175,1184 3.827,1185 3.744,1186 3.767,1187 3.777,1188 3.457,1189 5.006,1190 3.512,1191 3.242,1192 3.266,1193 3.725,1194 3.34,1195 4.753,1196 3.099,1197 3.003,1198 3.016,1199 3.399,1200 3.081,1201 4.28,1202 2.902,1203 2.854,1204 2.925,1205 2.928,1206 2.792,1207 4.222,1208 2.715,1209 2.733,1210 2.767,1211 2.687,1212 2.735,1213 3.753,1214 2.702,1215 2.607,1216 2.635,1217 2.595,1218 2.311,1219 3.674,1220 2.347,1221 0.177,1222 0.126,1223 0.254,1224 0.157,1225 0.121,1226 4.598,1227 0.175,1228 3.275,1229 0.033,1230 6.6,1231 0.407,1232 4.092,1233 0.114,1234 3.156,1235 4.545,1236 0.86,1237 10.592,1238 2.952,1239 1.901,1240 1.887,1241 1.958,1242 1.996,1243 1.08,1244 1.992,1245 1.811,1246 1.791,1247 1.867,1248 1.873,1249 1.019,1250 1.889,1251 1.523,1252 1.52,1253 1.476,1254 1.609,1255 0.722,1256 1.61,1257 1.093,1258 1.097,1259 1.181,1260 1.548,1261 0.218,1262 1.421,1263 0.936,1264 0.929,1265 1.157,1266 1.14,1267 0.173,1268 1.107,1269 0.886,1270 0.821,1271 1.046,1272 1.062,1273 0.076,1274 1.107,1275 0.846,1276 0.79,1277 0.955,1278 1.052,1280 1.064,1281 0.771,1282 0.747,1283 0.871,1284 0.865,1286 0.911,1287 3.97,1289 5.303,1290 3.045,1291 6.815,1292 5.352,1293 8.408,1294 7.413,1295 10.046,1300 2.244,1302 9.188,1306 5.928,1314 24.293,1315 61.467,1316 116.319,1317 135.97,1318 145.58,1319 145.58,1320 145.58,1321 26.471,1322 7.349,1323 81.27,1324 109.51,1325 22,1326 12.444,1327 4.459,1328 3.524,1329 31.865,1330 77,1331 83,1332 0.204,1333 159.823,1334 254.42,1335 381.728,1336 14957,1337 3.2,1338 15.811,1339 0.687,1340 0.626,1341 17.665,1342 14.407,1343 11.187,1344 0.43,1345 0.324,1346 6.552,1347 9.515,1348 6.325,1349 5.193,1350 12.461,1351 8.424,1352 10.386,1353 0.281,1354 0.188,1355 12.253,1356 6.946,1357 8.715,1358 0.178,1359 0.099,1360 10.387,1361 4.872,1362 7.317,1363 0.111,1364 0.052,1365 8.722,1366 3.403,1367 5.956,1368 0.073,1369 0.029,1370 7.511,1371 2.352,1372 0.315,1373 88.435,1374 0.237,1375 22.499,1376 0.569,1377 126,1378 439.065,1379 316.046,1380 480.751,1381 650.56,1382 448,1383 149,1384 451.308,1385 236.373,1386 479.048,1387 701.48,1388 450,1389 5.1}
{0 CHEMBL504950,1 1.651,2 5.625,3 2.012,4 4.046,5 66.437,6 8.858,7 0.833,8 3.401,9 3.516,10 3.194,11 3.054,12 4.575,13 3.005,14 3.873,15 4.038,16 3.64,17 3.448,18 5.001,19 3.382,20 3.951,21 4.089,22 3.716,23 3.512,24 5.097,25 3.444,26 4.032,27 4.214,28 3.563,29 3.511,30 5.104,31 3.376,32 3.969,33 4.179,34 2.98,35 3.257,36 4.984,37 3.074,38 3.672,39 3.943,40 2.568,41 2.788,42 4.638,43 2.658,44 3.378,45 3.68,46 1.838,47 2.328,48 4.357,49 2.155,50 3.011,51 3.376,52 0.765,53 1.77,54 3.738,55 1.466,56 0.029,57 0.439,58 4.354,59 2.184,60 6.048,61 2.475,62 0.117,63 0.701,64 9.735,65 3.955,66 11.79,67 4.688,68 0.105,69 0.783,70 9.835,71 3.72,72 9.293,73 4.201,74 0.107,75 0.787,76 13.229,77 5.479,78 12.317,79 6.279,80 0.19,81 0.726,82 18.039,83 5.571,84 17.022,85 5.631,86 0.077,87 0.472,88 8.697,89 3.244,90 11.543,91 4.443,92 0.129,93 0.35,94 6.8,95 1.958,96 17.084,97 2.518,98 0.093,99 0.21,100 6.127,101 1.754,102 12.917,103 2.41,104 10,105 27,106 0.321,107 0.717,108 0.782,109 0.827,110 0.827,111 0.827,112 2.858,113 0.959,114 -2.78,115 -2.8,116 -2.71,119 42.3,120 2,142 1,143 2,146 2,147 1,148 1,152 1,161 1,163 1,164 1,165 1,172 3,174 1,175 5,177 1,178 1,183 5,188 4,193 1,196 2,198 1,199 1,200 4,202 1,203 1,205 1,208 5,210 1,212 1,213 1,215 1,216 1,218 1,223 1,225 3,230 2,235 2,238 1,243 1,248 1,276 194,277 10.654,278 10.654,279 10.654,280 10.654,281 10.654,282 8.85,283 8.013,284 6.062,285 11.029,286 8.883,287 8.883,288 8.883,289 8.883,290 8.883,291 6.167,292 6.912,293 2.87,294 9.531,295 3.049,296 1.01,297 0.673,298 0.443,299 0.443,300 0.443,301 3.526,305 1,306 1,307 195,308 1.871,311 18.629,312 54.933,315 77.412,319 0.922,320 11.574,323 1,324 0.83,325 1,326 0.6,328 1,329 1,330 0.78,331 34,332 90,333 4.796,334 3.348,335 6.978,336 4.26,337 3.315,338 4.904,340 11.86,341 3.138,342 4.105,343 2.777,344 6.099,345 3.624,346 2.673,347 3.8,349 8.656,350 2.531,351 3.567,352 2.334,353 5.245,354 3.119,355 2.162,356 3,358 6.364,359 2.067,360 3.406,361 2.082,362 5.039,363 2.869,364 1.963,365 2.802,367 5.777,368 1.767,369 3.051,370 1.759,371 4.748,372 2.582,373 1.647,374 2.264,376 4.737,377 1.525,378 2.882,379 1.399,380 4.104,381 2.29,382 1.39,383 2.069,385 3.472,386 1.242,387 2.126,388 0.813,389 3.458,390 1.58,391 0.705,392 0.976,394 1.844,395 0.603,396 1.258,397 0.05,398 2.743,399 0.8,400 -0.118,401 -0.155,403 -0.295,404 -0.108,405 1.021,406 -0.158,407 2.526,408 0.566,409 -0.369,410 -0.489,412 -0.958,413 -0.336,414 0.786,415 -0.294,416 2.362,417 0.396,418 -0.56,419 -0.68,421 -1.328,422 -0.538,423 0.512,424 -0.795,425 2.266,426 0.047,427 -0.866,428 -1.221,430 -2.373,431 -0.778,432 0.122,433 -1.124,434 1.831,435 -0.313,436 -1.235,437 -1.665,439 -3.336,440 -1.129,441 -0.059,442 -1.304,443 1.455,444 -0.457,445 -1.385,446 -1.933,448 -3.895,449 -1.276,450 -0.226,451 -1.341,452 1.376,453 -0.529,454 -1.517,455 -2.005,457 -4.283,458 -1.486,459 -0.409,460 -1.877,461 1.252,462 -0.904,463 -1.886,464 -2.808,466 -5.907,467 -1.559,468 7.933,469 0.496,470 0.507,471 0.032,472 23.25,473 1.453,474 12.5,475 0.781,476 10.75,477 0.672,478 11.059,479 0.691,480 16.067,481 0.618,482 12.601,483 0.788,484 4.304,485 0.269,486 3.361,487 0.21,488 0.176,490 0.441,496 0.989,497 1.098,498 0.697,499 0.769,500 1.172,501 0.754,502 0.639,503 0.828,504 0.617,505 0.677,506 0.519,507 0.572,508 1.088,509 1.248,510 0.888,511 1.03,512 1.075,513 0.917,514 0.627,515 1.082,516 1.082,517 1.164,518 0.619,519 1.088,520 1.283,521 1.177,522 2.067,523 1.789,524 1.015,525 1.527,526 0.868,527 1.136,528 0.635,529 0.889,530 0.856,531 1.113,532 1.922,533 0.771,534 1.003,535 0.733,536 2.16,537 1.17,538 1.352,539 0.479,540 0.794,541 0.571,542 1.798,543 0.939,544 3.5,546 2,547 1.979,548 1.178,549 0.424,550 0.242,551 0.041,554 1750,555 4937,556 2.097,557 38.5,558 3,559 1,561 1,562 2,563 3,567 1.559,568 1.92,569 2.553,570 0.512,574 1,577 42.938,578 1.651,579 3.69,580 4.027,581 4.258,582 4.258,583 4.258,584 1.977,585 3.875,586 3.976,587 2.596,588 311.572,589 6.729,590 2590.8,592 1,594 1,595 122.211,596 1.505,597 3.912,598 0.194,600 0.074,601 0.073,602 0.051,603 0.033,604 0.027,605 0.014,608 0.466,609 0.67,610 1,611 0.703,612 61.715,613 -0.152,614 -0.039,615 0.048,616 0.089,617 -0.27,618 0.069,619 0.257,620 0.196,621 0.308,622 0.288,623 0.264,624 0.344,625 -0.106,626 -0.171,627 0.055,628 -0.069,629 -0.212,630 -0.068,631 0.178,632 -0.112,633 -0.014,634 -0.097,635 0.212,636 -0.11,637 -0.235,638 -0.147,639 -0.737,640 -0.589,641 -0.126,642 -0.542,643 0.033,644 -0.327,645 0.059,646 -0.126,647 0.137,648 -0.109,649 -0.592,650 0.14,651 -0.273,652 -0.014,653 -0.619,654 -0.236,655 -0.228,656 0.279,657 0.097,658 0.278,659 -0.4,660 0.189,661 1.134,662 1.84,663 0.813,664 7.516,665 1.005,666 1.121,667 1.554,668 2.413,669 0.729,670 2.944,671 3.332,672 3.664,673 4.025,674 4.248,675 4.369,676 4.407,677 4.477,678 4.248,679 4.007,680 3.574,681 0.687,682 230.32,683 2.944,684 4.511,685 5.398,686 6.323,687 7.231,688 8.161,689 9.077,690 10.009,691 10.927,692 11.859,693 15.4,697 1,703 3,708 4,709 2,710 3,713 1,714 3,716 15,727 1,735 26,737 15,739 18,741 28,742 11,743 9,748 3,749 6,754 2,762 9,763 2,780 1,783 10,784 4,785 2,786 5,787 1,792 4,797 0.333,809 1,810 1,815 1,816 2,819 2,843 1,845 1,847 2,851 16,852 1,869 1,881 8.333,882 5.517,883 3.389,884 1.479,886 3.261,887 1.5,888 1.052,889 1.997,890 9.78,891 3.277,892 4.047,893 4.79,894 5.547,895 6.178,896 6.657,897 7.11,898 7.575,899 7.699,900 7.869,901 0.75,902 27,903 5.86,905 2.507,906 7.656,907 11.221,909 9.328,911 2.156,912 34.5,913 0.003,916 94.169,917 81.073,918 83.254,922 31.278,923 49.795,924 94.169,925 83.254,926 17.65,928 42.373,929 62.445,930 19.278,931 3.074,932 113.675,934 94.169,935 133.049,937 31.278,939 94.169,943 31.487,944 51.206,945 50.357,946 31.278,947 94.169,948 83.254,949 81.073,952 94.169,953 45.328,954 35.745,956 83.254,957 94.169,958 83.254,959 81.073,961 0.599,962 0.361,963 0.213,964 0.116,965 16,966 7,969 2,970 1.308,971 2.749,972 119.219,973 0.308,974 13,975 64,977 1,981 9.761,982 3.274,983 1.364,984 3.926,985 83.254,986 3.565,987 12.814,990 1.556,991 2.736,993 32.897,994 258.496,995 25.5,1007 26.134,1008 29.159,1009 0.351,1010 0.785,1011 0.857,1012 0.906,1013 0.906,1014 0.906,1015 4.519,1016 -0.118,1017 5.425,1018 1.844,1019 4.007,1020 4.732,1022 6.319,1023 3.874,1024 5.801,1025 -0.369,1026 7.034,1027 -0.295,1028 3.761,1029 4.808,1031 7.361,1032 3.601,1033 7.163,1034 -0.56,1035 8.744,1036 -0.958,1037 5.673,1038 7.176,1040 10.528,1041 5.432,1042 8.566,1043 -0.866,1044 10.511,1045 -1.328,1046 6.217,1047 8.076,1049 12.419,1050 5.942,1051 10.001,1052 -1.235,1053 12.315,1054 -2.373,1055 7.662,1056 9.951,1058 15.122,1059 7.321,1060 11.462,1061 -1.385,1062 14.148,1063 -3.336,1064 8.571,1065 11.239,1067 17.366,1068 8.186,1069 12.942,1070 -1.517,1071 16.001,1072 -3.895,1073 9.844,1074 12.927,1076 19.913,1077 9.401,1078 3.315,1079 -1.886,1080 17.87,1081 -4.283,1082 10.917,1083 14.388,1085 22.296,1086 10.422,1087 2.673,1088 11.86,1089 19.753,1090 -5.907,1091 12.13,1092 16.007,1094 24.791,1095 11.581,1096 2.162,1097 8.656,1098 21.646,1099 4.904,1100 13.272,1101 17.542,1103 27.228,1104 12.668,1105 1.963,1106 6.364,1107 23.547,1108 3.8,1109 14.468,1110 19.137,1112 29.707,1113 13.809,1114 1.647,1115 5.777,1116 25.456,1117 3,1118 15.639,1119 20.703,1121 32.165,1122 14.925,1123 1.39,1124 4.737,1125 27.37,1126 2.802,1127 16.831,1128 22.292,1130 34.639,1131 16.063,1132 0.705,1133 3.472,1134 29.288,1135 2.264,1136 18.015,1137 23.87,1139 37.106,1140 17.192,1141 1758,1142 3062,1143 11.849,1144 18.955,1145 28.034,1146 27.654,1147 29.342,1148 27.659,1149 27.71,1150 39.63,1152 85.418,1153 25.746,1154 5.296,1155 5.348,1156 6.506,1157 5.385,1158 5.315,1159 7.904,1161 19.215,1162 5.085,1163 7.628,1164 1.557,1165 1.536,1166 1.63,1167 1.537,1168 1.539,1169 2.202,1171 4.745,1172 1.43,1173 4.157,1174 4.172,1175 4.396,1176 4.145,1177 5.235,1178 4.107,1179 3.687,1180 3.742,1181 3.644,1182 3.56,1183 4.904,1184 3.562,1185 3.257,1186 3.344,1187 3.387,1188 3.09,1189 4.643,1190 3.078,1191 3.158,1192 3.218,1193 3.093,1194 3.064,1195 4.054,1196 3.013,1197 2.979,1198 3.092,1199 2.85,1200 2.698,1201 4.007,1202 2.712,1203 2.658,1204 2.765,1205 2.43,1206 2.425,1207 3.655,1208 2.393,1209 2.455,1210 2.53,1211 2.406,1212 2.291,1213 3.437,1214 2.269,1215 2.252,1216 2.347,1217 2.147,1218 2.029,1219 3.215,1220 1.996,1221 0.266,1222 0.186,1223 0.388,1224 0.237,1225 0.184,1226 4.796,1227 0.272,1228 3.348,1230 6.978,1231 0.659,1232 4.26,1233 0.174,1234 3.315,1235 4.904,1237 11.86,1238 3.138,1239 1.94,1240 1.915,1241 2.017,1242 2.044,1243 1.174,1244 2.036,1245 1.741,1246 1.718,1247 1.762,1248 1.882,1249 0.87,1250 1.876,1251 1.281,1252 1.208,1253 1.612,1254 1.498,1255 0.686,1256 1.543,1257 1.138,1258 1.094,1259 1.322,1260 1.321,1261 0.489,1262 1.348,1263 0.82,1264 0.753,1265 1.155,1266 1.187,1267 0.107,1268 1.204,1269 0.799,1270 0.689,1271 0.923,1272 0.932,1273 0.003,1274 0.987,1275 0.615,1276 0.519,1277 0.828,1278 0.826,1280 0.871,1281 0.099,1283 0.304,1284 0.419,1286 0.4,1287 3.611,1289 4.977,1290 2.398,1291 6.547,1292 4.844,1293 8.217,1294 7.081,1295 9.939,1297 4.063,1301 5.84,1314 17.853,1315 42.938,1316 95.947,1317 104.702,1318 110.702,1319 110.702,1320 110.702,1321 16.232,1322 6.519,1323 64.69,1324 92.93,1325 17,1326 12.362,1327 4,1328 3.087,1329 21.594,1330 36,1331 30,1332 0.338,1333 114.85,1334 175.75,1335 271.993,1336 4634,1338 11.284,1339 0.705,1340 0.612,1341 11.638,1342 9.798,1343 7.665,1344 0.426,1345 0.32,1346 4.95,1347 7.005,1348 4.665,1349 3.902,1350 8.073,1351 5.752,1352 7.363,1353 0.273,1354 0.178,1355 7.979,1356 4.798,1357 6.228,1358 0.164,1359 0.097,1360 7.087,1361 3.674,1362 5.812,1363 0.106,1364 0.056,1365 6.859,1366 3.079,1367 4.477,1368 0.065,1369 0.028,1370 5.404,1371 1.95,1372 0.483,1373 51.676,1374 0.291,1375 15.413,1376 1.08,1377 90,1378 247.108,1379 122.812,1380 268.642,1381 379.41,1382 252,1383 110,1384 277.334,1385 142.55,1386 300.922,1387 445.83,1388 282,1389 5.3}
{0 CHEMBL507936,1 1.503,2 12.464,3 3.245,4 10.531,5 108.761,6 7.861,7 0.742,8 3.956,9 4.08,10 3.569,11 3.548,12 5.152,13 3.535,14 4.41,15 4.561,16 3.918,17 3.918,18 5.594,19 3.884,20 4.651,21 4.834,22 3.973,23 4.039,24 5.796,25 3.986,26 4.71,27 4.928,28 3.889,29 3.99,30 5.844,31 3.915,32 4.687,33 4.912,34 3.751,35 3.896,36 5.839,37 3.817,38 4.579,39 4.832,40 3.601,41 3.758,42 5.635,43 3.665,44 4.364,45 4.589,46 3.475,47 3.639,48 5.442,49 3.557,50 4.268,51 4.49,52 3.403,53 3.58,54 5.309,55 3.486,56 0.039,57 0.712,58 8.457,59 3.716,60 9.628,61 4.71,62 0.164,63 1.092,64 14.415,65 6.277,66 19.152,67 8.296,68 0.196,69 1.361,70 19.948,71 7.802,72 31.179,73 10.204,74 0.158,75 1.384,76 22.867,77 8.733,78 34.375,79 11.884,80 0.268,81 1.313,82 23.395,83 8.079,84 51.789,85 10.623,86 0.22,87 1.141,88 22.318,89 7.903,90 43.836,91 10.844,92 0.229,93 0.954,94 16.909,95 6.07,96 36.284,97 8.02,98 0.121,99 0.873,100 14.768,101 5.843,102 19.789,103 7.98,104 10,105 43,106 0.252,107 0.561,108 0.712,109 0.83,110 0.864,111 0.878,112 3.374,113 0.856,114 -4.1,115 -4.05,116 -3.83,119 46.8,120 1,142 10,143 3,144 3,145 2,146 2,159 1,163 1,164 1,165 1,172 12,175 1,178 2,179 1,180 5,183 14,185 1,187 1,188 3,190 1,191 1,193 6,196 10,198 2,200 7,202 1,203 1,205 10,208 5,210 3,213 7,218 7,221 2,223 2,225 7,230 4,233 4,238 3,242 1,243 2,245 1,246 8,250 1,253 1,255 1,258 10,264 1,266 1,267 2,268 1,269 1,271 1,272 8,276 1126,277 19.016,278 19.016,279 19.016,280 19.016,281 19.016,282 16.085,283 17.311,284 11.258,285 19.25,286 15.315,287 15.315,288 15.315,289 15.315,290 15.315,291 11.01,292 24.218,293 5.368,294 15.696,295 4.052,296 2.207,297 1.308,298 0.601,299 0.399,300 0.314,301 4.073,304 1,305 1,306 1,307 765,308 3,312 352.984,316 136.775,319 2.074,320 21.422,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 59.5,332 349,333 4.597,334 3.563,335 6.738,336 4.152,337 3.171,338 4.521,339 1.656,340 10.897,341 3.112,342 4.136,343 3.2,344 6.078,345 3.73,346 2.757,347 3.772,348 0.247,349 8.751,350 2.68,351 4.066,352 2.748,353 5.623,354 3.654,355 2.672,356 3.661,358 7.801,359 2.622,360 3.821,361 2.697,362 5.416,363 3.441,364 2.465,365 3.252,367 7.169,368 2.398,369 3.525,370 2.416,371 5.068,372 3.12,373 2.134,374 2.815,376 5.827,377 2.095,378 3.296,379 2.137,380 4.884,381 2.857,382 1.89,383 2.617,385 5.49,386 1.825,387 3.164,388 1.947,389 4.528,390 2.723,391 1.729,392 2.406,394 4.657,395 1.709,396 3.048,397 1.601,398 4.379,399 2.537,400 1.566,401 2.269,403 4.079,404 1.517,405 2.788,406 1.322,407 3.639,408 2.275,409 1.299,410 1.923,412 2.968,413 1.264,414 2.657,415 1.24,416 3.48,417 2.178,418 1.18,419 1.728,421 2.587,422 1.177,423 2.5,424 1,425 3.463,426 2,427 1,428 1.5,430 2.275,431 1,432 2.332,433 0.929,434 3.414,435 1.803,436 0.877,437 1.257,439 2.068,440 0.811,441 1.501,442 0.664,443 3.017,444 1.178,445 0.215,446 0.261,448 0.539,449 0.206,450 1.207,451 0.345,452 2.821,453 0.884,454 -0.069,455 -0.083,457 -0.183,458 -0.065,459 1.161,460 0.081,461 2.342,462 0.712,463 -0.291,464 -0.393,466 -0.689,467 -0.287,468 13.333,469 0.476,470 0.661,471 0.024,472 43,473 1.536,474 25,475 0.893,476 18,477 0.643,478 17.626,479 0.629,480 28.067,481 0.597,482 31.464,483 1.124,484 8.655,485 0.309,486 4.942,487 0.176,488 0.093,490 0.338,496 0.889,497 1.104,498 0.767,499 0.868,500 0.769,501 0.802,502 0.541,503 1.109,504 0.781,505 0.987,506 0.539,507 0.929,508 1.063,509 1.103,510 1.037,511 1.053,512 0.982,513 1.042,514 0.927,515 1.167,516 0.981,517 1.131,518 0.816,519 1.072,520 1.561,521 1.032,522 1.192,523 1.029,524 1.645,525 1.056,526 1.198,527 0.928,528 0.93,529 0.892,530 1.288,531 0.883,532 1.368,533 0.84,534 1.097,535 0.87,536 1.405,537 0.94,538 0.789,539 0.97,540 0.997,541 1.065,542 0.749,543 1.057,544 5.5,545 0.14,546 2.889,547 2.125,548 1.551,549 0.882,550 0.463,551 0.224,552 0.27,553 0.158,554 11177,555 29379,556 2.115,557 40.4,558 3,559 10,561 2,562 4,567 1.704,568 2,569 3.593,570 1.627,571 1,572 1,577 70.638,578 1.503,579 3.347,580 4.246,581 4.953,582 5.156,583 5.241,584 3.111,585 4.111,586 4.779,587 3.786,588 1431.28,589 8.274,590 19600.9,592 1,594 1,595 261.066,596 1.333,597 4.748,598 0.177,599 0.008,600 0.067,601 0.048,602 0.04,603 0.027,604 0.016,605 0.009,606 0.011,607 0.008,608 0.411,609 0.33,610 1,611 0.517,612 143.13,613 -0.119,614 0.01,615 0.019,616 0.07,617 -0.146,618 0.068,619 0.245,620 -0.049,621 0.057,622 -0.028,623 0.109,624 -0.017,625 -0.079,626 -0.058,627 -0.131,628 -0.106,629 -0.085,630 -0.125,631 0.008,632 -0.183,633 -0.013,634 -0.158,635 0.1,636 -0.099,637 -0.251,638 -0.047,639 -0.177,640 -0.073,641 -0.19,642 -0.105,643 -0.076,644 -0.005,645 0.124,646 0.107,647 -0.042,648 0.137,649 -0.192,650 0.138,651 -0.097,652 0.103,653 -0.193,654 0.028,655 0.016,656 -0.007,657 -0.035,658 -0.07,659 -0.007,660 -0.059,661 1.959,662 5.191,663 0.786,664 28.531,665 1,666 1.119,667 2.875,668 8.264,669 0.698,670 3.466,671 3.784,672 4.043,673 4.304,674 4.511,675 4.533,676 4.644,677 4.754,678 4.82,679 4.852,680 7.391,681 0.67,682 369.46,683 3.466,684 5.004,685 5.849,686 6.723,687 7.58,688 8.458,689 9.321,690 10.201,691 11.068,692 11.95,693 10.6,697 1,700 2,703 2,708 2,709 12,710 2,714 6,716 23,727 1,735 47,737 24,738 3,739 31,741 50,742 22,743 20,744 8,745 10,748 4,749 5,753 1,754 1,762 21,763 1,767 1,772 1,776 1,780 1,783 19,784 6,785 4,786 6,792 5,797 0.75,798 1,806 1,816 4,820 1,843 3,847 1,851 28,852 1,860 2,874 2.1,877 1,881 14,882 8.65,883 6.111,884 2.608,886 4.367,887 1.571,888 1.034,889 4.919,890 12.018,891 3.795,892 4.437,893 5.037,894 5.654,895 6.232,896 6.493,897 6.926,898 7.364,899 7.761,900 8.009,901 1,902 44,903 10.28,905 4.357,906 7.75,907 19.461,909 15.776,911 2.25,912 63,915 1,916 176.567,917 148.074,918 102.49,920 25.145,923 148.074,924 201.711,925 102.49,926 8.825,927 36.022,928 127.66,929 82.258,930 40.21,931 4.276,932 153.024,934 176.567,935 250.563,936 25.145,939 176.567,940 25.145,943 67.23,944 149.762,945 33.571,947 176.567,948 127.635,949 148.074,952 176.567,953 26.391,954 121.683,955 36.022,956 91.613,957 176.567,958 127.635,959 148.074,961 0.581,962 0.336,963 0.186,964 0.098,965 21,966 9,967 0.06,968 3,969 1,970 1.091,971 4.085,972 238.082,973 0.091,974 22,975 128.606,981 17.959,982 7.669,983 3.976,984 1.439,985 127.635,986 22.239,987 8.584,991 4.925,993 68.919,994 452.275,995 43.5,1000 12.191,1004 -0.293,1007 47.022,1008 52.607,1009 0.271,1010 0.603,1011 0.764,1012 0.892,1013 0.928,1014 0.943,1015 5.009,1016 1.566,1017 5.826,1018 4.657,1019 4.466,1020 5.124,1021 1.758,1022 6.616,1023 4.419,1024 6.23,1025 1.299,1026 7.37,1027 4.079,1028 4.007,1029 4.902,1030 1.195,1031 7.462,1032 3.948,1033 7.537,1034 1.18,1035 9.012,1036 2.968,1037 6.038,1038 7.369,1039 2.415,1040 10.566,1041 5.946,1042 8.88,1043 1,1044 10.713,1045 2.587,1046 6.382,1047 7.962,1048 2.324,1049 12.261,1050 6.275,1051 10.252,1052 0.877,1053 12.454,1054 2.275,1055 7.882,1056 9.898,1057 3.244,1058 14.888,1059 7.75,1060 11.646,1061 0.215,1062 14.224,1063 2.068,1064 8.618,1065 10.913,1066 3.407,1067 16.954,1068 8.469,1069 13.059,1070 -0.069,1071 16.016,1072 0.539,1073 9.892,1074 12.607,1075 4.156,1076 19.419,1077 9.722,1078 3.171,1079 -0.291,1080 17.825,1081 -0.183,1082 10.826,1083 13.85,1084 4.464,1085 21.654,1086 10.637,1087 2.757,1088 10.897,1089 19.649,1090 -0.689,1091 12.006,1092 15.43,1093 5.111,1094 24.062,1095 11.798,1096 2.672,1097 8.751,1098 21.484,1099 4.521,1100 13.039,1101 16.797,1102 5.504,1103 26.376,1104 12.812,1105 2.465,1106 7.801,1107 23.329,1108 3.772,1109 14.182,1110 18.326,1111 6.091,1112 28.766,1113 13.938,1114 2.134,1115 7.169,1116 25.183,1117 3.661,1118 15.265,1119 19.757,1120 6.531,1121 31.116,1122 15.003,1123 1.89,1124 5.827,1125 27.044,1126 3.252,1127 16.398,1128 21.266,1129 7.083,1130 33.501,1131 16.119,1132 1.729,1133 5.49,1134 28.912,1135 2.815,1136 17.508,1137 22.732,1138 7.551,1139 35.869,1140 17.211,1141 10473,1142 17122,1143 20.978,1144 32.813,1145 46.379,1146 47.03,1147 47.418,1148 45.882,1149 45.911,1150 63.962,1151 3.806,1152 130.216,1153 44.832,1154 5.463,1155 5.563,1156 6.421,1157 5.221,1158 5.171,1159 7.521,1160 2.912,1161 18.303,1162 5.112,1163 11.973,1164 1.496,1165 1.517,1166 1.53,1167 1.48,1168 1.481,1169 2.063,1170 0.123,1171 4.201,1172 1.446,1173 4.09,1174 4.121,1175 4.058,1176 4.012,1177 7.431,1178 4.019,1179 3.934,1180 3.969,1181 3.874,1182 3.857,1183 5.192,1184 3.855,1185 3.853,1186 3.888,1187 3.797,1188 3.766,1189 4.871,1190 3.771,1191 3.479,1192 3.529,1193 3.424,1194 3.3,1195 4.77,1196 3.317,1197 3.36,1198 3.414,1199 3.28,1200 3.14,1201 4.722,1202 3.173,1203 3.147,1204 3.228,1205 2.98,1206 2.984,1207 4.278,1208 2.973,1209 3.089,1210 3.184,1211 2.957,1212 2.881,1213 4.049,1214 2.894,1215 2.896,1216 2.968,1217 2.781,1218 2.752,1219 3.991,1220 2.752,1221 0.148,1222 0.115,1223 0.217,1224 0.134,1225 0.102,1226 4.597,1227 0.146,1228 3.563,1229 0.053,1230 6.738,1231 0.352,1232 4.152,1233 0.1,1234 3.171,1235 4.521,1236 1.656,1237 10.897,1238 3.112,1239 2.038,1240 2.014,1241 2.102,1242 2.135,1243 1.223,1244 2.126,1245 1.915,1246 1.885,1247 2.036,1248 2.019,1249 1.131,1250 2.024,1251 1.834,1252 1.802,1253 1.931,1254 1.944,1255 0.998,1256 1.946,1257 1.404,1258 1.356,1259 1.567,1260 1.628,1261 0.615,1262 1.602,1263 1.285,1264 1.228,1265 1.543,1266 1.52,1267 0.536,1268 1.522,1269 1.151,1270 1.083,1271 1.364,1272 1.383,1273 0.327,1274 1.41,1275 1.029,1276 0.954,1277 1.281,1278 1.325,1279 0.218,1280 1.326,1281 0.886,1282 0.821,1283 1.181,1284 1.087,1285 0.218,1286 1.107,1287 4.143,1289 5.46,1291 6.976,1293 8.584,1295 10.239,1297 1.978,1301 6.286,1305 5.651,1314 31.509,1315 70.638,1316 157.317,1317 199.582,1318 232.801,1319 242.311,1320 246.311,1321 40.252,1322 7.651,1323 92.93,1324 92.93,1325 24,1326 12.488,1327 4.644,1328 3.755,1329 42.791,1330 129,1331 106,1332 0.165,1333 195.067,1334 328.23,1335 467.724,1336 24128,1338 19.51,1339 0.697,1340 0.547,1341 19.51,1342 15.308,1343 13.597,1344 0.439,1345 0.285,1346 8.754,1347 13.23,1348 8.52,1349 7.122,1350 13.597,1351 8.843,1352 12.304,1353 0.286,1354 0.151,1355 12.304,1356 6.477,1357 10.203,1358 0.182,1359 0.079,1360 10.203,1361 4.409,1362 8.799,1363 0.121,1364 0.042,1365 8.799,1366 3.059,1367 6.887,1368 0.077,1369 0.022,1370 6.887,1371 1.979,1372 0.267,1373 84.175,1374 0.218,1375 27.253,1376 0.433,1377 148,1378 405.004,1379 158.956,1380 406.394,1381 564.74,1382 380,1383 173,1384 425.918,1385 183.404,1386 437.582,1387 634.6,1388 412,1389 5.1}
{0 CHEMBL508928,1 1.561,2 14.606,3 2.726,4 7.433,5 127.739,6 7.973,7 0.73,8 4.134,9 4.267,10 3.764,11 3.668,12 5.324,13 3.67,14 4.607,15 4.775,16 4.133,17 4.055,18 5.77,19 4.043,20 4.798,21 4.98,22 4.145,23 4.168,24 5.938,25 4.128,26 4.9,27 5.119,28 4.138,29 4.15,30 6.031,31 4.096,32 4.89,33 5.129,34 4.041,35 4.038,36 6.047,37 3.995,38 4.722,39 4.951,40 3.907,41 3.951,42 5.832,43 3.895,44 4.657,45 4.889,46 3.761,47 3.898,48 5.744,49 3.821,50 4.537,51 4.765,52 3.679,53 3.836,54 5.554,55 3.747,56 0.108,57 0.917,58 9.971,59 4.185,60 11.151,61 5.367,62 0.297,63 1.406,64 17.903,65 6.894,66 22.847,67 9.255,68 0.284,69 1.628,70 22.464,71 8.38,72 32.964,73 11.079,74 0.239,75 1.703,76 27.323,77 9.797,78 39.07,79 13.726,80 0.59,81 1.644,82 29.036,83 8.38,84 62.831,85 11.463,86 0.29,87 1.374,88 24.023,89 8.111,90 43.532,91 11.202,92 0.467,93 1.301,94 22.522,95 7.382,96 49.603,97 9.946,98 0.201,99 1.149,100 19.357,101 7.411,102 23.976,103 10.3,104 17,105 53,106 0.252,107 0.612,108 0.771,109 0.85,110 0.869,111 0.875,112 3.531,113 0.838,114 -4.15,115 -4.1,116 -3.87,119 43.6,120 1,124 1,142 8,143 5,144 2,145 3,151 1,153 1,159 1,161 1,163 1,164 1,165 1,166 2,172 11,174 1,175 7,177 1,178 3,179 1,180 5,183 12,185 1,187 1,188 8,190 1,191 1,193 5,196 7,198 1,200 9,202 1,203 1,205 10,208 2,210 3,212 6,213 10,218 8,221 2,223 3,225 5,230 3,233 7,238 3,240 2,241 4,242 1,243 1,245 1,246 12,250 2,253 1,258 12,263 2,264 4,266 1,267 3,268 1,269 1,271 1,272 8,276 1976,277 22.325,278 22.325,279 22.325,280 22.325,281 22.325,282 18.948,283 20.473,284 12.97,285 22.662,286 18.27,287 18.27,288 18.27,289 18.27,290 18.27,291 13.225,292 26.718,293 6.186,294 18.837,295 4.221,296 1.987,297 1,298 0.514,299 0.391,300 0.355,301 4.238,305 1,306 1,307 1067,308 3.24,311 175.138,312 326.649,315 147.046,319 2.466,320 25.211,323 1,324 0.83,325 1,326 0.6,328 1,329 1,330 0.78,331 71,332 482,333 4.705,334 3.563,335 6.891,336 4.234,337 3.275,338 4.667,339 1.656,340 11.491,341 3.145,342 4.289,343 3.293,344 6.444,345 3.912,346 2.925,347 3.929,348 0.247,349 9.929,350 2.888,351 4.088,352 2.94,353 5.87,354 3.706,355 2.733,356 3.678,358 8.102,359 2.657,360 4.029,361 2.741,362 5.622,363 3.581,364 2.611,365 3.652,367 7.789,368 2.528,369 3.83,370 2.641,371 5.418,372 3.431,373 2.462,374 3.287,376 7.163,377 2.376,378 3.567,379 2.447,380 5.225,381 3.159,382 2.182,383 2.875,385 6.275,386 2.125,387 3.397,388 2.153,389 4.91,390 3.004,391 2.036,392 2.691,394 5.713,395 1.964,396 3.163,397 2.126,398 4.788,399 2.744,400 1.749,401 2.377,403 4.936,404 1.733,405 3.058,406 1.722,407 4.525,408 2.584,409 1.638,410 2.291,412 4.605,413 1.548,414 2.954,415 1.539,416 4.384,417 2.457,418 1.491,419 2.129,421 4.04,422 1.434,423 2.658,424 1.24,425 3.947,426 2.179,427 1.181,428 1.729,430 2.918,431 1.178,432 2.549,433 1.103,434 3.533,435 2.028,436 1.073,437 1.572,439 2.587,440 1.022,441 2.5,442 1,443 3.479,444 2,445 1,446 1.5,448 2.275,449 1,450 2.248,451 0.852,452 3.414,453 1.738,454 0.799,455 1.137,457 1.956,458 0.748,459 2.096,460 0.658,461 3.267,462 1.573,463 0.618,464 0.906,466 1.592,467 0.589,468 15.533,469 0.471,470 0.87,471 0.026,472 49,473 1.485,474 27,475 0.818,476 22,477 0.667,478 23.12,479 0.701,480 33.667,481 0.612,482 38.742,483 1.174,484 9.879,485 0.299,486 6.096,487 0.185,488 0.112,490 0.373,496 0.823,497 1.186,498 0.737,499 0.942,500 0.755,501 0.84,502 0.694,503 1.061,504 0.74,505 0.883,506 0.542,507 0.824,508 1.106,509 1.172,510 1.065,511 1.103,512 1.025,513 1.081,514 0.896,515 1.318,516 0.909,517 1.19,518 0.792,519 1.074,520 1.514,521 0.862,522 1.131,523 0.858,524 1.595,525 0.92,526 1.212,527 1.1,528 0.949,529 0.984,530 1.32,531 0.941,532 1.284,533 0.669,534 1.194,535 0.844,536 1.428,537 0.981,538 0.754,539 0.968,540 0.971,541 1.07,542 0.702,543 1.056,544 7,545 0.201,546 3.778,547 2.694,548 1.864,549 1.101,550 0.805,551 0.446,552 0.305,553 0.218,554 18085,555 47621,556 2.131,557 40,558 3,559 11,560 1,561 3,562 4,567 1.746,568 2,569 3.805,570 1.573,572 1,577 85.828,578 1.561,579 3.794,580 4.781,581 5.267,582 5.39,583 5.427,584 3.294,585 4.779,586 5.012,587 4.006,588 2115.19,589 8.744,590 32879.1,592 1,595 317.975,596 1.393,597 4.979,598 0.189,599 0.008,600 0.071,601 0.052,602 0.037,603 0.025,604 0.02,605 0.013,606 0.01,607 0.007,608 0.432,609 0.17,610 0.88,611 0.522,612 178.416,613 0.004,614 -0.014,615 0.046,616 0.016,617 -0.126,618 0.033,619 0.187,620 0.051,621 0.115,622 0.08,623 0.116,624 0.084,625 -0.146,626 -0.1,627 -0.179,628 -0.138,629 -0.122,630 -0.16,631 0.017,632 -0.334,633 0.053,634 -0.204,635 0.119,636 -0.092,637 -0.146,638 0.154,639 -0.098,640 0.052,641 -0.152,642 -0.004,643 -0.126,644 -0.14,645 0.05,646 0.003,647 -0.058,648 0.045,649 -0.147,650 0.334,651 -0.202,652 0.113,653 -0.22,654 -0.027,655 -0.001,656 -0.014,657 -0.015,658 -0.043,659 0.021,660 -0.031,661 1.976,662 5.3,663 0.788,664 42.77,665 1.006,666 1.129,667 2.923,668 8.545,669 0.688,670 3.638,671 3.989,672 4.277,673 4.575,674 4.754,675 4.883,676 5.056,677 5.22,678 5.278,679 5.403,680 8.451,681 0.665,682 438.54,683 3.638,684 5.198,685 6.061,686 6.954,687 7.831,688 8.728,689 9.613,690 10.514,691 11.406,692 12.309,693 14.5,697 1,700 2,701 2,703 3,708 1,709 12,710 3,714 8,715 1,716 27,727 1,735 55,737 28,738 2,739 37,741 59,742 24,743 21,744 4,745 8,748 5,749 6,753 1,754 1,762 22,763 2,767 1,772 1,776 1,780 1,783 22,784 7,785 4,786 9,792 8,797 0.8,798 1,807 2,810 1,815 2,816 3,819 1,843 4,847 2,851 33,852 1,860 2,874 1.8,877 1,881 16.5,882 10.5,883 7.083,884 3.016,886 4.86,887 1.581,888 1.041,889 5.483,890 13.218,891 3.961,892 4.63,893 5.259,894 5.91,895 6.419,896 6.824,897 7.33,898 7.833,899 8.181,900 8.622,901 0.9,902 52,903 12.112,905 5.183,906 7.732,907 22.935,909 18.744,911 2.232,912 73.667,915 1,916 211.88,917 158.982,918 121.971,920 25.145,923 158.982,924 237.025,925 121.971,926 17.222,927 36.022,928 117.755,929 112.285,930 53.852,931 16.047,932 164.795,934 211.88,935 280.952,936 25.145,939 211.88,940 25.145,943 78.973,944 151.868,945 50.112,947 211.88,948 147.116,949 158.982,952 211.88,953 29.76,954 132.162,955 36.022,956 108.154,957 211.88,958 147.116,959 158.982,961 0.589,962 0.343,963 0.19,964 0.097,965 27,966 12,967 0.068,968 4,969 1,970 1.077,971 4.516,972 307.565,973 0.077,974 26,975 154.465,981 21.038,982 8.601,983 4.276,984 0.662,985 144.175,986 22.167,987 13.221,991 6.352,992 1.729,993 68.919,994 517.977,995 51.5,1000 12.3,1004 -0.31,1007 55.327,1008 62.102,1009 0.27,1010 0.656,1011 0.827,1012 0.911,1013 0.932,1014 0.939,1015 5.197,1016 1.749,1017 6.057,1018 5.713,1019 4.673,1020 5.318,1021 1.758,1022 6.882,1023 4.612,1024 6.433,1025 1.638,1026 7.623,1027 4.936,1028 4.29,1029 5.165,1030 1.195,1031 7.794,1032 4.206,1033 7.755,1034 1.491,1035 9.286,1036 4.605,1037 6.282,1038 7.587,1039 2.415,1040 10.914,1041 6.16,1042 9.113,1043 1.181,1044 11.008,1045 4.04,1046 6.711,1047 8.273,1048 2.324,1049 12.68,1050 6.559,1051 10.501,1052 1.073,1053 12.768,1054 2.918,1055 8.175,1056 10.152,1057 3.244,1058 15.329,1059 7.99,1060 11.912,1061 1,1062 14.557,1063 2.587,1064 8.98,1065 11.249,1066 3.407,1067 17.461,1068 8.76,1069 13.342,1070 0.799,1071 16.368,1072 2.275,1073 10.239,1074 12.906,1075 4.156,1076 19.957,1077 9.988,1078 3.275,1079 0.618,1080 18.196,1081 1.956,1082 11.225,1083 14.214,1084 4.464,1085 22.25,1086 10.935,1087 2.925,1088 11.491,1089 20.039,1090 1.592,1091 12.408,1092 15.78,1093 5.111,1094 24.696,1095 12.084,1096 2.733,1097 9.929,1098 21.894,1099 4.667,1100 13.482,1101 17.197,1102 5.504,1103 27.061,1104 13.117,1105 2.611,1106 8.102,1107 23.759,1108 3.929,1109 14.64,1110 18.73,1111 6.091,1112 29.492,1113 14.239,1114 2.462,1115 7.789,1116 25.631,1117 3.678,1118 15.758,1119 20.203,1120 6.531,1121 31.891,1122 15.315,1123 2.182,1124 7.163,1125 27.512,1126 3.652,1127 16.912,1128 21.727,1129 7.083,1130 34.319,1131 16.43,1132 2.036,1133 6.275,1134 29.398,1135 3.287,1136 18.054,1137 23.229,1138 7.551,1139 36.735,1140 17.529,1141 16722,1142 27326,1143 24.967,1144 37.83,1145 56.644,1146 56.93,1147 57.792,1148 55.879,1149 55.918,1150 77.288,1151 3.806,1152 163.681,1153 54.218,1154 5.571,1155 5.563,1156 6.447,1157 5.304,1158 5.275,1159 7.667,1160 2.912,1161 19.147,1162 5.145,1163 15.711,1164 1.531,1165 1.539,1166 1.562,1167 1.51,1168 1.511,1169 2.089,1170 0.103,1171 4.424,1172 1.465,1173 4.153,1174 4.204,1175 4.133,1176 4.005,1177 7.431,1178 4.028,1179 3.945,1180 3.982,1181 3.89,1182 3.858,1183 5.243,1184 3.859,1185 3.904,1186 3.949,1187 3.849,1188 3.82,1189 4.959,1190 3.823,1191 3.808,1192 3.868,1193 3.757,1194 3.599,1195 4.791,1196 3.632,1197 3.458,1198 3.506,1199 3.406,1200 3.236,1201 4.769,1202 3.266,1203 3.297,1204 3.358,1205 3.219,1206 3.111,1207 4.72,1208 3.133,1209 3.145,1210 3.226,1211 2.958,1212 2.971,1213 4.365,1214 2.964,1215 3.038,1216 3.136,1217 2.903,1218 2.817,1219 4.033,1220 2.806,1221 0.127,1222 0.096,1223 0.186,1224 0.114,1225 0.089,1226 4.705,1227 0.126,1228 3.563,1229 0.045,1230 6.891,1231 0.311,1232 4.234,1233 0.085,1234 3.275,1235 4.667,1236 1.656,1237 11.491,1238 3.145,1239 1.972,1240 1.944,1241 2.051,1242 2.102,1243 1.165,1244 2.081,1245 1.913,1246 1.883,1247 2.032,1248 2.015,1249 1.131,1250 2.02,1251 1.764,1252 1.729,1253 1.836,1254 1.912,1255 0.968,1256 1.897,1257 1.592,1258 1.546,1259 1.737,1260 1.814,1261 0.791,1262 1.794,1263 1.443,1264 1.35,1265 1.634,1266 1.689,1267 0.681,1268 1.676,1269 1.301,1270 1.244,1271 1.558,1272 1.593,1273 0.614,1274 1.562,1275 1.158,1276 1.088,1277 1.367,1278 1.39,1279 0.323,1280 1.419,1281 1.085,1282 1.02,1283 1.264,1284 1.317,1285 0.256,1286 1.307,1287 4.317,1289 5.659,1290 3.045,1291 7.183,1292 5.352,1293 8.792,1294 7.413,1295 10.449,1297 3.836,1301 6.424,1305 5.66,1314 36.574,1315 85.828,1316 208.691,1317 262.955,1318 289.71,1319 296.465,1320 298.465,1321 47.611,1322 8.358,1323 115.16,1324 115.16,1325 28,1326 12.831,1327 4.858,1328 3.954,1329 48.258,1330 168,1331 156,1332 0.139,1333 224.314,1334 369.93,1335 539.086,1336 57106,1338 22.949,1339 0.695,1340 0.55,1341 22.949,1342 18.15,1343 15.974,1344 0.432,1345 0.279,1346 10.186,1347 15.344,1348 9.9,1349 8.278,1350 15.974,1351 10.341,1352 14.843,1353 0.28,1354 0.147,1355 14.843,1356 7.779,1357 12.471,1358 0.176,1359 0.075,1360 12.471,1361 5.31,1362 10.927,1363 0.114,1364 0.038,1365 10.927,1366 3.684,1367 8.221,1368 0.071,1369 0.02,1370 8.221,1371 2.285,1372 0.225,1373 100.125,1374 0.2,1375 31.311,1376 0.36,1377 180,1378 507.939,1379 197.284,1380 504.53,1381 706.93,1382 472,1383 214,1384 548.082,1385 232.425,1386 557.725,1387 810.92,1388 523,1389 6.8}
{0 CHEMBL50894,1 1.664,2 7.636,3 2.817,4 7.937,5 81.229,6 8.888,7 0.64,8 3.66,9 3.756,10 3.375,11 3.26,12 4.924,13 3.272,14 4.148,15 4.253,16 3.777,17 3.689,18 5.532,19 3.686,20 4.443,21 4.591,22 3.893,23 3.859,24 5.668,25 3.845,26 4.525,27 4.699,28 3.836,29 3.825,30 5.754,31 3.798,32 4.426,33 4.611,34 3.707,35 3.683,36 5.689,37 3.653,38 4.288,39 4.481,40 3.475,41 3.449,42 5.603,43 3.415,44 4.025,45 4.227,46 3.117,47 3.062,48 5.376,49 3.037,50 3.623,51 3.799,52 2.928,53 2.564,54 5.487,55 2.609,56 0.158,57 0.497,58 4.456,59 2.587,60 7.037,61 2.759,62 0.252,63 0.785,64 7.799,65 4.676,66 43.428,67 5.182,68 0.323,69 1.05,70 12.934,71 6.167,72 38.521,73 6.692,74 0.423,75 1.11,76 15.912,77 6.855,78 54.08,79 7.598,80 0.414,81 0.971,82 15.611,83 6.529,84 53.077,85 7.618,86 0.434,87 0.815,88 14.458,89 5.629,90 56.833,91 6.499,92 0.427,93 0.596,94 12.531,95 4.386,96 64.843,97 4.804,98 0.426,99 0.388,100 7.864,101 2.556,102 71.555,103 2.894,104 11,105 37,106 0.3,107 0.65,108 0.757,109 0.865,110 0.886,111 0.886,112 3.149,113 0.818,114 -3.8,115 -3.77,116 -3.58,119 48.5,121 1,142 7,143 3,144 2,152 2,158 1,166 2,172 8,174 1,175 3,178 1,180 7,183 9,188 7,193 7,196 9,200 8,204 1,205 4,208 9,213 6,216 2,218 2,221 9,225 5,228 2,230 1,233 6,237 1,238 4,241 1,243 1,246 4,249 2,250 4,253 2,258 1,264 5,276 530,277 14.878,278 14.878,279 14.878,280 14.878,281 14.878,282 12.601,283 15.369,284 8.577,285 15.009,286 12.365,287 12.365,288 12.365,289 12.365,290 12.365,291 8.851,292 19.872,293 4.089,294 12.569,295 3.381,296 1.433,297 0.838,298 0.242,299 0.121,300 0.121,301 3.848,304 1,305 1,306 1,307 370,308 2.646,311 22.559,312 70.623,313 36.821,315 47.429,316 50.481,317 62.876,319 1.215,320 28.443,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 48.5,332 168,333 4.716,334 3.783,335 6.929,336 4.293,337 3.309,338 4.652,339 2.612,340 11.728,341 3.255,342 4.283,343 3.672,344 6.321,345 3.847,346 2.865,347 3.945,348 1.987,349 9.56,350 2.811,351 4.069,352 3.226,353 5.884,354 3.557,355 2.587,356 3.695,357 0.324,358 8.052,359 2.506,360 3.621,361 2.831,362 5.425,363 3.299,364 2.288,365 2.896,367 6.573,368 2.3,369 3.457,370 2.26,371 5.241,372 3.008,373 2.029,374 2.772,376 6.532,377 1.984,378 3.117,379 1.874,380 4.685,381 2.613,382 1.629,383 2.384,385 4.735,386 1.6,387 2.932,388 1.753,389 4.054,390 2.394,391 1.398,392 2.074,394 3.223,395 1.389,396 2.851,397 1.506,398 3.786,399 2.255,400 1.261,401 1.984,403 3.002,404 1.252,405 2.568,406 1.218,407 3.68,408 2.069,409 1.071,410 1.591,412 2.755,413 1.068,414 2.169,415 1,416 3.504,417 1.691,418 0.71,419 1.008,421 1.902,422 0.694,423 1.345,424 0.944,425 2.916,426 0.96,427 -0.018,428 -0.022,430 -0.046,431 -0.017,432 1.175,433 0.561,434 2.729,435 0.867,436 -0.12,437 -0.155,439 -0.328,440 -0.118,441 1,442 0.209,443 2.383,444 0.308,445 -0.723,446 -1.043,448 -1.883,449 -0.734,450 0.779,451 -0.136,452 2.245,453 0.197,454 -0.785,455 -1.092,457 -2,458 -0.769,459 0.653,460 -0.595,461 2,462 0.072,463 -0.941,464 -1.367,466 -2.16,467 -0.943,468 10.2,469 0.464,470 0.627,471 0.028,472 33.5,473 1.523,474 19,475 0.864,476 14.5,477 0.659,478 13.397,479 0.609,480 22.2,481 0.673,482 23.718,483 1.078,484 6.662,485 0.303,486 3.969,487 0.18,488 0.098,490 0.431,496 0.446,497 0.921,498 0.611,499 0.747,500 0.478,501 0.721,502 0.42,503 1.158,504 0.686,505 1.028,506 0.387,507 0.956,508 0.832,509 1.114,510 0.941,511 1.008,512 0.673,513 0.995,514 0.94,515 1.052,516 1.068,517 1.074,518 0.837,519 1.09,520 0.865,521 0.971,522 0.969,523 1.056,524 0.863,525 1.044,526 1.022,527 0.989,528 1.09,529 1.093,530 1.079,531 1.109,532 1.434,533 0.882,534 1.186,535 0.956,536 1.647,537 1.014,538 1.01,539 0.972,540 0.972,541 1.044,542 1.095,543 1.005,544 4.5,545 0.025,546 2.667,547 1.951,548 1.536,549 0.942,550 0.392,551 0.29,552 0.149,553 0.044,554 4464,555 15013,556 2.148,557 33.3,559 7,562 2,563 2,567 1.652,568 2,569 2.931,570 0.348,572 1,574 1,577 54.901,578 1.664,579 3.611,580 4.206,581 4.802,582 4.923,583 4.923,584 2.431,585 4.187,586 4.432,587 3.038,588 701.83,589 7.648,590 7243,591 1,592 1,593 1,594 1,595 166.465,596 1.437,597 4.388,598 0.18,599 0.012,600 0.072,601 0.048,602 0.042,603 0.029,604 0.016,605 0.018,606 0.012,607 0.009,608 0.439,609 0.67,610 1,611 0.797,612 97.602,613 0.142,614 0.177,615 0.033,616 0.157,617 -0.012,618 0.084,619 0.194,620 -0.145,621 0.022,622 -0.083,623 0.178,624 -0.084,625 -0.124,626 -0.096,627 -0.108,628 -0.062,629 -0.038,630 -0.072,631 -0.12,632 -0.061,633 -0.131,634 -0.114,635 -0.07,636 -0.118,637 -0.003,638 -0.022,639 0.033,640 -0.066,641 -0.02,642 -0.02,643 -0.013,644 -0.059,645 -0.02,646 -0.099,647 -0.059,648 -0.07,649 -0.142,650 0.006,651 -0.004,652 0.058,653 -0.262,654 0.05,655 0.565,656 -0.032,657 0.224,658 -0.086,659 0.587,660 -0.031,661 2.427,662 5.11,663 0.818,664 14.025,665 1.025,666 1.115,667 2.575,668 6.628,669 0.71,670 3.258,671 3.638,672 3.97,673 4.317,674 4.635,675 4.844,676 5.03,677 5.193,678 5.298,679 5.338,680 4.631,681 0.707,682 293.3,683 3.258,684 4.828,685 5.714,686 6.629,687 7.54,688 8.463,689 9.382,690 10.309,691 11.233,692 12.162,693 9.1,700 1,701 1,704 1,708 2,709 7,711 1,714 5,716 16,729 1,735 33,737 19,738 2,739 25,741 36,742 16,743 14,744 5,745 7,748 4,749 10,757 1,760 1,762 15,763 1,767 3,769 1,772 3,776 1,779 1,780 1,783 11,784 4,785 2,786 6,792 3,797 0.25,798 3,811 1,815 1,816 2,817 1,819 1,820 1,821 1,829 1,843 1,851 22,858 1,860 1,874 9.1,877 1,880 2,881 11,882 6.033,883 4.667,884 1.915,886 3.595,887 1.47,888 1.063,889 2.776,890 11.235,891 3.611,892 4.301,893 4.937,894 5.619,895 6.251,896 6.738,897 7.257,898 7.73,899 8.089,900 8.438,901 1,902 41,903 8.128,905 3.671,906 8.083,907 15.069,909 12.886,911 2.583,912 56.833,916 105.94,917 92.931,918 40.466,920 75.892,923 92.931,924 181.832,925 40.466,926 5.67,927 20.545,928 66.334,929 29.85,930 31.243,931 4.901,932 105.94,933 50.747,934 105.94,935 133.398,936 75.892,939 105.94,940 25.145,941 50.747,943 37.331,944 90.397,945 5.67,947 105.94,948 116.358,949 92.931,952 105.94,953 26.598,954 72.004,955 34.796,956 75.892,957 105.94,958 116.358,959 92.931,961 0.595,962 0.351,963 0.199,964 0.119,965 21,966 9,967 0.028,968 1,969 3,970 1.333,971 3.305,972 191.818,973 0.333,974 18,975 96.107,981 13.044,982 4.682,983 2.021,984 1.51,985 93.903,986 12.185,988 3.284,991 3.285,993 34.796,994 315.229,995 36,997 -0.427,1000 34.073,1004 -0.126,1007 33.822,1008 36.784,1009 0.33,1010 0.716,1011 0.834,1012 0.952,1013 0.976,1014 0.976,1015 4.86,1016 1.261,1017 5.727,1018 3.223,1019 4.317,1020 4.987,1021 2.953,1022 6.603,1023 4.285,1024 6.111,1025 1.071,1026 7.323,1027 3.002,1028 4.007,1029 4.977,1030 2.675,1031 7.603,1032 3.96,1033 7.455,1034 0.71,1035 9.019,1036 2.755,1037 5.969,1038 7.304,1039 4.442,1040 10.753,1041 5.899,1042 8.835,1043 -0.018,1044 10.773,1045 1.902,1046 6.463,1047 8.109,1048 4.731,1049 12.591,1050 6.375,1051 10.246,1052 -0.12,1053 12.564,1054 -0.046,1055 7.924,1056 9.936,1057 6.124,1058 15.265,1059 7.819,1060 11.679,1061 -0.723,1062 14.38,1063 -0.328,1064 8.788,1065 11.118,1066 6.694,1067 17.456,1068 8.663,1069 13.131,1070 -0.785,1071 16.216,1072 -1.883,1073 10.058,1074 12.752,1075 7.9,1076 19.974,1077 9.918,1078 3.309,1079 -0.941,1080 18.067,1081 -2,1082 11.093,1083 14.112,1084 8.63,1085 22.315,1086 10.934,1087 2.865,1088 11.728,1089 19.929,1090 -2.16,1091 12.294,1092 15.671,1093 9.732,1094 24.784,1095 12.121,1096 2.587,1097 9.56,1098 21.801,1099 4.652,1100 13.408,1101 17.117,1102 10.557,1103 27.189,1104 13.216,1105 2.288,1106 8.052,1107 23.681,1108 3.945,1109 14.588,1110 18.649,1111 11.6,1112 29.645,1113 14.382,1114 2.029,1115 6.573,1116 25.568,1117 3.695,1118 15.738,1119 20.136,1120 12.48,1121 32.078,1122 15.515,1123 1.629,1124 6.532,1125 27.461,1126 2.896,1127 16.916,1128 21.661,1129 13.489,1130 34.531,1131 16.677,1132 1.398,1133 4.735,1134 29.359,1135 2.772,1136 18.084,1137 23.168,1138 14.402,1139 36.977,1140 17.829,1141 4275,1142 7944,1143 16.819,1144 23.426,1145 38.767,1146 40.657,1147 39.816,1148 38.291,1149 38.294,1150 54.003,1151 9.847,1152 116.124,1153 37.719,1154 5.588,1155 5.783,1156 6.61,1157 5.341,1158 5.309,1159 7.652,1160 4.612,1161 19.279,1162 5.255,1163 9.915,1164 1.551,1165 1.626,1166 1.593,1167 1.532,1168 1.532,1169 2.16,1170 0.394,1171 4.645,1172 1.509,1173 4.187,1174 4.216,1175 4.157,1176 4.099,1177 7.815,1178 4.109,1179 3.892,1180 3.92,1181 3.849,1182 3.802,1183 7.429,1184 3.803,1185 3.664,1186 3.694,1187 3.636,1188 3.423,1189 6.999,1190 3.45,1191 3.472,1192 3.508,1193 3.406,1194 3.18,1195 4.958,1196 3.238,1197 3.14,1198 3.179,1199 3.071,1200 2.886,1201 4.69,1202 2.928,1203 2.942,1204 3.014,1205 2.829,1206 2.769,1207 4.174,1208 2.781,1209 2.815,1210 2.875,1211 2.68,1212 2.691,1213 3.941,1214 2.679,1215 2.736,1216 2.803,1217 2.614,1218 2.491,1219 3.757,1220 2.542,1221 0.189,1222 0.151,1223 0.277,1224 0.172,1225 0.132,1226 4.716,1227 0.186,1228 3.783,1229 0.104,1230 6.929,1231 0.469,1232 4.293,1233 0.13,1234 3.309,1235 4.652,1236 2.612,1237 11.728,1238 3.255,1239 1.959,1240 1.938,1241 2.031,1242 2.102,1243 1.209,1244 2.069,1245 1.913,1246 1.888,1247 2.008,1248 1.999,1249 1.12,1250 2.002,1251 1.599,1252 1.563,1253 1.737,1254 1.792,1255 0.914,1256 1.773,1257 1.307,1258 1.263,1259 1.422,1260 1.718,1261 0.467,1262 1.614,1263 1.157,1264 1.127,1265 1.243,1266 1.427,1267 0.259,1268 1.395,1269 0.889,1270 0.829,1271 1.148,1272 1.117,1273 0.196,1274 1.13,1275 0.815,1276 0.757,1277 1.088,1278 1.004,1279 0.168,1280 1.036,1281 0.666,1282 0.604,1283 0.915,1284 0.943,1286 0.968,1287 3.932,1289 5.293,1290 2.398,1291 6.845,1292 4.949,1293 8.484,1294 7.222,1295 10.174,1303 0.186,1305 2.865,1314 23.316,1315 54.901,1316 119.162,1317 138.814,1318 158.465,1319 162.465,1320 162.465,1321 36.581,1322 7.641,1323 90.71,1324 90.71,1325 24,1326 12.666,1327 4.322,1328 3.585,1329 29.661,1330 62,1331 59,1332 0.25,1333 140.699,1334 238.83,1335 335.066,1336 20192,1338 15.267,1339 0.694,1340 0.519,1341 15.267,1342 11.421,1343 10.631,1344 0.425,1345 0.273,1346 6.724,1347 10.189,1348 6.621,1349 5.437,1350 10.631,1351 6.815,1352 10.089,1353 0.273,1354 0.142,1355 10.089,1356 5.236,1357 8.604,1358 0.165,1359 0.075,1360 8.604,1361 3.908,1362 7.579,1363 0.102,1364 0.04,1365 7.579,1366 2.928,1367 6.657,1368 0.065,1369 0.021,1370 6.657,1371 2.145,1372 0.37,1373 67.079,1374 0.244,1375 20.857,1376 0.76,1377 124,1378 403.517,1379 136.499,1380 390.284,1381 527.19,1382 360,1383 151,1384 395.508,1385 162.976,1386 395.044,1387 577.75,1388 372,1389 6.7}
{0 CHEMBL509032,1 1.669,2 16.976,3 5.342,4 28.539,5 170.073,6 7.491,7 0.391,8 4.496,9 4.621,10 4.163,11 4.017,12 5.479,13 3.968,14 5.087,15 5.281,16 4.512,17 4.43,18 6.136,19 4.363,20 5.368,21 5.577,22 4.642,23 4.636,24 6.374,25 4.539,26 5.512,27 5.748,28 4.531,29 4.679,30 6.503,31 4.55,32 5.508,33 5.768,34 4.534,35 4.659,36 6.41,37 4.527,38 5.461,39 5.721,40 4.567,41 4.606,42 6.38,43 4.475,44 5.352,45 5.6,46 4.534,47 4.505,48 6.362,49 4.394,50 5.262,51 5.504,52 4.401,53 4.44,54 6.273,55 4.314,56 0.076,57 1.264,58 20.736,59 7.815,60 18.574,61 10.317,62 0.513,63 2.034,64 39.117,65 12.934,66 65.567,67 17.58,68 0.659,69 2.533,70 58.987,71 17.554,72 70.348,73 23.955,74 0.886,75 2.662,76 63.492,77 20.784,78 112.54,79 28.418,80 0.721,81 2.642,82 62.501,83 20.106,84 86.361,85 29.046,86 0.73,87 2.492,88 65.052,89 18.696,90 85.627,91 26.67,92 0.879,93 2.241,94 58.969,95 16.151,96 93.724,97 23.233,98 0.792,99 2.048,100 52.656,101 15.458,102 87.343,103 22.089,104 55,105 66,106 0.253,107 0.547,108 0.741,109 0.808,110 0.836,111 0.836,112 3.765,113 1.065,114 -4.41,115 -4.34,116 -4.09,119 36.6,120 2,121 2,124 2,125 6,127 2,142 7,144 6,145 1,147 1,150 1,172 4,174 2,175 7,178 3,180 2,183 5,187 1,188 10,191 1,193 5,196 2,199 2,200 8,203 3,204 1,205 1,208 6,212 2,213 10,216 1,218 3,221 7,224 2,225 6,230 2,233 4,237 3,238 7,241 1,243 6,246 2,249 3,250 2,253 2,255 1,258 5,264 9,267 2,269 2,272 4,276 3848,277 28.021,278 28.021,279 28.021,280 28.021,281 28.021,282 25.553,283 45.937,284 16.129,285 29.213,286 22.581,287 22.581,288 22.581,289 22.581,290 22.581,291 18.7,292 76.143,293 7.52,294 24.496,295 4.689,296 2.745,297 1.469,298 1.022,299 0.842,300 0.842,301 4.464,302 1,306 1,307 1538,308 4.243,312 778.263,319 2.931,320 44.704,323 0.75,324 0.67,325 0.67,326 0.9,327 1,328 0.83,329 1,330 0.83,331 90.833,332 713,333 4.948,334 5.35,335 7.68,336 4.389,337 3.523,338 4.789,339 2.95,340 13.626,341 3.028,342 4.34,343 3.27,344 6.301,345 3.966,346 3.018,347 3.977,348 0.86,349 9.609,350 2.863,351 4.239,352 3.232,353 6.164,354 3.829,355 2.907,356 3.87,357 0.8,358 9.113,359 2.7,360 3.922,361 3.133,362 6.138,363 3.769,364 2.841,365 3.433,366 0.8,367 9.005,368 2.586,369 3.88,370 3.094,371 5.981,372 3.543,373 2.615,374 3.101,375 0.8,376 8.504,377 2.424,378 3.756,379 2.924,380 5.874,381 3.411,382 2.465,383 2.851,384 0.4,385 7.768,386 2.305,387 3.463,388 2.614,389 5.212,390 3.223,391 2.296,392 2.752,393 0.4,394 6.436,395 2.127,396 3.309,397 2.467,398 5.046,399 3.031,400 2.135,401 2.321,403 6.101,404 1.895,405 2.967,406 2.295,407 4.709,408 2.617,409 1.668,410 2.145,412 4.617,413 1.576,414 2.889,415 1.895,416 4.528,417 2.527,418 1.599,419 2.025,421 4.233,422 1.47,423 2.81,424 1.815,425 4.327,426 2.455,427 1.52,428 1.9,430 4.038,431 1.408,432 2.785,433 1.717,434 4.172,435 2.429,436 1.46,437 1.846,439 3.542,440 1.401,441 2.715,442 1.428,443 4.155,444 2.239,445 1.3,446 1.794,448 3.533,449 1.197,450 2.435,451 1.378,452 3.754,453 2.186,454 1.238,455 1.349,457 3.032,458 1.169,459 2.323,460 1.146,461 3.551,462 2,463 1,464 1.316,466 2.419,467 1,468 20.348,469 0.484,470 1.194,471 0.028,472 51.5,473 1.226,474 23,475 0.548,476 28.5,477 0.679,478 45.665,479 1.087,480 47.452,481 0.579,482 44.618,483 1.062,484 9.545,485 0.227,486 10.605,487 0.253,488 0.166,489 0.041,490 0.305,496 0.715,497 1.607,498 0.776,499 1.256,500 0.66,501 1.061,502 0.977,503 1.07,504 0.824,505 0.885,506 0.601,507 0.869,508 0.988,509 1.186,510 1.113,511 1.204,512 0.84,513 1.053,514 1.096,515 1.009,516 0.933,517 0.996,518 1.404,519 1.041,520 0.776,521 1.001,522 0.727,523 0.895,524 0.812,525 0.931,526 0.974,527 1.007,528 0.825,529 0.845,530 0.689,531 0.909,532 1.007,533 0.941,534 0.953,535 0.9,536 0.699,537 0.91,538 0.875,539 1.033,540 1.015,541 0.956,542 0.757,543 1.004,544 10,545 0.347,546 6.222,547 2.75,548 2.471,549 1.722,550 1.336,551 0.8,552 0.542,553 0.401,554 32680,555 80267,556 2.054,557 48.8,559 27,561 1,562 2,564 6,565 4,567 1.808,568 1.902,569 3.996,570 0.173,577 136.829,578 1.669,579 3.612,580 4.889,581 5.336,582 5.516,583 5.516,584 3.529,585 4.916,586 5.362,587 4.222,588 3635.4,589 9.462,590 67680.4,595 521.319,596 1.583,597 5.308,598 0.217,599 0.007,600 0.094,601 0.038,602 0.038,603 0.026,604 0.022,605 0.014,606 0.01,607 0.008,608 0.475,609 0.17,610 0.63,611 0.897,612 244.023,613 0.037,614 -0.294,615 0.136,616 -0.099,617 -0.096,618 -0.016,619 0.038,620 0.104,621 0.086,622 0.124,623 0.203,624 0.103,625 -0.002,626 -0.058,627 -0.059,628 -0.116,629 0.097,630 -0.058,631 -0.025,632 -0.019,633 -0.056,634 -0.029,635 -0.052,636 -0.06,637 0.066,638 -0.036,639 0.1,640 0.034,641 0.034,642 0.057,643 -0.018,644 -0.03,645 0.112,646 0.078,647 0.039,648 0.061,649 0.07,650 0.054,651 0.088,652 0.038,653 0.122,654 0.055,655 0.121,656 -0.039,657 0.016,658 -0.012,659 0.092,660 -0.023,661 4.439,662 5.909,663 0.714,664 58.993,665 1.001,666 1.135,667 3.18,668 10.109,669 0.657,670 3.85,671 4.205,672 4.477,673 4.682,674 4.942,675 5.004,676 5.147,677 5.252,678 5.38,679 5.537,680 9.788,681 0.613,682 614.29,683 3.85,684 5.416,685 6.275,686 7.159,687 8.034,688 8.919,689 9.799,690 10.684,691 11.566,692 12.453,693 8.5,696 2,699 1,701 2,703 2,709 8,710 2,714 8,716 18,728 2,730 1,733 1,734 1,735 82,737 20,738 2,739 46,741 86,742 30,743 16,744 5,745 7,748 5,749 5,750 1,754 2,757 3,760 4,762 16,763 14,767 2,770 1,772 2,783 40,784 10,785 2,786 12,787 2,792 7,797 1,798 3,810 1,816 5,839 2,843 5,845 1,847 4,848 1,851 42,854 1,858 8,860 2,861 1,863 2,864 3,873 1,874 3.7,877 2,879 1,881 22.083,882 15.643,883 9.139,884 4.995,886 3.708,887 1.419,888 0.973,889 9.927,890 12.552,891 4.06,892 4.649,893 5.149,894 5.621,895 6.14,896 6.328,897 6.685,898 7.026,899 7.376,900 7.775,901 1,902 72,903 15.822,905 6.965,906 7.679,907 30.315,909 25.451,911 2.179,912 91.528,916 447.302,917 158.852,918 78.966,919 39.149,920 55.313,922 6.046,923 152.806,924 541.763,925 78.966,926 36.93,927 17.703,928 72.38,929 89.655,930 84.007,931 4.227,932 435.531,933 39.149,934 447.302,935 231.772,936 55.313,937 45.195,939 329.591,940 173.024,943 88.57,944 109.63,945 78.766,947 447.302,948 134.278,949 198.001,951 6.046,952 447.302,953 40.495,954 121.684,955 36.022,956 128.033,957 447.302,958 134.278,959 198.001,961 0.592,962 0.353,963 0.175,964 0.099,965 31,966 15,967 0.105,968 9,970 1,971 5.054,972 424.576,974 30,975 214.477,980 1,981 30.985,982 13.456,983 7.207,985 134.278,986 14.298,987 8.877,991 3.95,993 36.022,994 779.581,995 57,998 -3.522,1000 25.817,1007 82.116,1008 93.039,1009 0.262,1010 0.568,1011 0.769,1012 0.839,1013 0.868,1014 0.868,1015 5.335,1016 2.135,1017 6.293,1018 6.436,1019 4.89,1020 5.338,1021 3.153,1022 7.146,1023 4.731,1024 6.548,1025 1.668,1026 7.892,1027 6.101,1028 4.635,1029 5.352,1030 0.766,1031 8.31,1032 4.315,1033 7.883,1034 1.599,1035 9.603,1036 4.617,1037 6.564,1038 7.565,1039 5.044,1040 11.371,1041 6.218,1042 9.259,1043 1.52,1044 11.384,1045 4.233,1046 7.124,1047 8.42,1048 0.653,1049 13.41,1050 6.59,1051 10.675,1052 1.46,1053 13.213,1054 4.038,1055 8.566,1056 10.183,1057 7.186,1058 16.09,1059 7.995,1060 12.119,1061 1.3,1062 15.079,1063 3.542,1064 9.485,1065 11.408,1066 0.482,1067 18.478,1068 8.723,1069 13.587,1070 1.238,1071 16.975,1072 3.533,1073 10.76,1074 13.019,1075 9.348,1076 21.081,1077 9.928,1078 3.523,1079 1,1080 18.894,1081 3.032,1082 11.842,1083 14.414,1084 0.337,1085 23.605,1086 10.829,1087 3.018,1088 13.626,1089 20.833,1090 2.419,1091 13.066,1092 15.975,1093 11.511,1094 26.201,1095 11.949,1096 2.907,1097 9.609,1098 22.789,1099 4.789,1100 14.225,1101 17.45,1102 0.229,1103 28.778,1104 12.934,1105 2.841,1106 9.113,1107 24.76,1108 3.977,1109 15.441,1110 18.998,1111 13.675,1112 31.38,1113 14.021,1114 2.615,1115 9.005,1116 26.742,1117 3.87,1118 16.639,1119 20.514,1120 0.153,1121 33.977,1122 15.05,1123 2.465,1124 8.504,1125 28.735,1126 3.433,1127 17.861,1128 22.061,1129 15.838,1130 36.584,1131 16.127,1132 2.296,1133 7.768,1134 30.736,1135 3.101,1136 19.08,1137 23.598,1138 0.1,1139 39.189,1140 17.179,1141 30869,1142 48895,1143 30.224,1144 53.853,1145 69.39,1146 71.442,1147 72.024,1148 69.358,1149 69.2,1150 85.338,1151 14.02,1152 204.493,1153 63.913,1154 5.948,1155 7.35,1156 7.359,1157 5.487,1158 5.523,1159 7.789,1160 5.9,1161 21.688,1162 5.028,1163 24.449,1164 1.508,1165 1.553,1166 1.566,1167 1.508,1168 1.504,1169 1.855,1170 0.305,1171 4.445,1172 1.389,1173 4.117,1174 4.11,1175 4.748,1176 4.123,1177 7.714,1178 4.025,1179 3.998,1180 4.03,1181 4.019,1182 3.883,1183 6.999,1184 3.887,1185 3.877,1186 3.934,1187 3.903,1188 3.712,1189 5.102,1190 3.72,1191 3.811,1192 3.853,1193 3.764,1194 3.684,1195 4.853,1196 3.678,1197 3.694,1198 3.742,1199 3.693,1200 3.599,1201 4.705,1202 3.577,1203 3.662,1204 3.709,1205 3.548,1206 3.496,1207 4.507,1208 3.496,1209 3.267,1210 3.344,1211 3.309,1212 3.078,1213 4.453,1214 3.029,1215 3.233,1216 3.295,1217 3.134,1218 3.009,1219 4.374,1220 3.021,1221 0.108,1222 0.116,1223 0.167,1224 0.095,1225 0.077,1226 4.948,1227 0.104,1228 5.35,1229 0.064,1230 7.68,1231 0.296,1232 4.389,1233 0.066,1234 3.523,1235 4.789,1236 2.95,1237 13.626,1238 3.028,1239 1.997,1240 2.011,1241 2.085,1242 2.098,1243 1.446,1244 2.104,1245 1.936,1246 1.899,1247 2.002,1248 2.064,1249 1.331,1250 2.095,1251 1.829,1252 1.773,1253 1.976,1254 2.006,1255 1.24,1256 2.003,1257 1.726,1258 1.693,1259 1.884,1260 1.912,1261 1.068,1262 1.91,1263 1.666,1264 1.624,1265 1.868,1266 1.835,1267 1.021,1268 1.857,1269 1.64,1270 1.58,1271 1.727,1272 1.788,1273 0.825,1274 1.8,1275 1.209,1276 1.134,1277 1.571,1278 1.519,1279 0.825,1280 1.535,1281 1.173,1282 1.121,1283 1.54,1284 1.466,1285 0.757,1286 1.494,1287 4.533,1289 5.878,1291 7.421,1293 9.048,1295 10.715,1297 7.15,1298 6.41,1303 8.935,1305 6.322,1306 5.735,1308 0.081,1309 7.476,1314 50.264,1315 136.829,1316 296.196,1317 400.874,1318 437.545,1319 452.3,1320 452.3,1321 90.812,1322 8.844,1323 102.93,1324 111.31,1325 30,1326 12.985,1327 4.392,1328 3.585,1329 69.213,1330 249,1331 278,1332 0.133,1333 314.24,1334 546.39,1335 758.505,1336 110020,1337 1.2,1338 29.855,1339 0.711,1340 0.625,1341 30.605,1342 26.25,1343 20.15,1344 0.438,1345 0.355,1346 14.343,1347 18.193,1348 13.738,1349 11.384,1350 21.228,1351 16.329,1352 18.711,1353 0.284,1354 0.213,1355 20.467,1356 14.052,1357 15.981,1358 0.184,1359 0.122,1360 17.772,1361 10.614,1362 12.216,1363 0.114,1364 0.064,1365 13.266,1366 6.831,1367 10.358,1368 0.075,1369 0.036,1370 11.315,1371 4.956,1372 0.216,1373 137.605,1374 0.182,1375 37.898,1376 0.347,1377 224,1378 623.162,1379 300.72,1380 649.639,1381 880.16,1382 604,1383 265,1384 603.65,1385 345.555,1386 655.611,1387 958.46,1388 613,1389 6.705}
{0 CHEMBL513846,1 1.675,2 10.043,3 3.933,4 15.47,5 90.565,6 8.714,7 0.808,8 3.751,9 3.854,10 3.508,11 3.379,12 4.928,13 3.348,14 4.207,15 4.342,16 3.898,17 3.736,18 5.368,19 3.699,20 4.376,21 4.557,22 3.803,23 3.768,24 5.489,25 3.709,26 4.391,27 4.59,28 3.807,29 3.767,30 5.44,31 3.673,32 4.302,33 4.494,34 3.803,35 3.759,36 5.347,37 3.614,38 4.237,39 4.448,40 3.492,41 3.597,42 5.199,43 3.423,44 3.994,45 4.219,46 3.299,47 3.302,48 5.003,49 3.185,50 3.817,51 4.018,52 3.113,53 3.181,54 4.868,55 3.113,56 0.047,57 0.57,58 6.162,59 3.128,60 7.366,61 3.438,62 0.12,63 0.937,64 12.37,65 5.119,66 10.511,67 5.953,68 0.216,69 1.061,70 15.464,71 5.991,72 23.872,73 6.772,74 0.232,75 1.081,76 16.811,77 6.383,78 22.605,79 7.456,80 0.224,81 1.012,82 18.395,83 6.935,84 20.925,85 7.797,86 0.191,87 0.921,88 21.352,89 7.442,90 19.426,91 7.994,92 0.198,93 0.692,94 14.874,95 5.101,96 18.738,97 5.941,98 0.102,99 0.574,100 10.668,101 3.898,102 10.041,103 4.592,104 5,105 37,106 0.296,107 0.658,108 0.785,109 0.86,110 0.86,111 0.86,112 3.189,113 0.928,114 -4.13,115 -4.08,116 -3.86,119 45.9,120 1,142 7,144 2,146 2,151 2,152 1,161 1,162 1,172 4,174 1,175 5,178 1,180 5,183 3,187 1,188 3,193 4,196 2,199 1,200 5,208 3,213 5,216 1,217 1,221 5,225 1,228 1,230 1,233 2,238 2,241 1,243 3,246 1,250 4,255 1,258 2,264 2,272 6,276 686,277 15.74,278 15.74,279 15.74,280 15.74,281 15.74,282 13.223,283 14.069,284 9.251,285 16.254,286 12.865,287 12.865,288 12.865,289 12.865,290 12.865,291 9.157,292 20.133,293 4.44,294 13.771,295 3.535,296 1.485,297 0.768,298 0.345,299 0.345,300 0.345,301 3.888,304 1,305 1,306 1,307 514,308 2.236,311 102.924,312 131.944,315 89.249,319 1.524,320 14.776,321 1,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 49,332 231,333 4.684,334 3.299,335 6.912,336 4.204,337 3.262,338 4.626,339 0.4,340 11.609,341 3.071,342 4.132,343 2.886,344 5.854,345 3.667,346 2.748,347 3.767,349 8.239,350 2.563,351 3.964,352 2.641,353 5.565,354 3.476,355 2.533,356 3.58,358 7.444,359 2.364,360 3.591,361 2.376,362 5.225,363 3.16,364 2.221,365 2.99,367 6.438,368 2.066,369 3.378,370 2.177,371 4.933,372 2.947,373 2,374 2.684,376 5.619,377 1.885,378 3.183,379 1.878,380 4.783,381 2.688,382 1.766,383 2.475,385 5.127,386 1.612,387 2.857,388 1.452,389 4.488,390 2.355,391 1.414,392 2.011,394 4.152,395 1.33,396 2.826,397 1.383,398 3.61,399 2.333,400 1.354,401 1.969,403 2.933,404 1.313,405 2.5,406 1,407 3.414,408 2,409 1,410 1.5,412 2.275,413 1,414 2.226,415 0.794,416 3.392,417 1.598,418 0.761,419 1.101,421 1.832,422 0.619,423 1.948,424 0.485,425 3.251,426 1.37,427 0.464,428 0.684,430 1.231,431 0.419,432 1.4,433 0.382,434 2.856,435 1.047,436 0.127,437 0.155,439 0.303,440 0.115,441 0.933,442 -0.124,443 2.467,444 0.577,445 -0.377,446 -0.465,448 -0.936,449 -0.358,450 0.702,451 -0.296,452 2.229,453 0.331,454 -0.584,455 -0.714,457 -1.509,458 -0.528,459 0.602,460 -0.84,461 2,462 0.114,463 -0.858,464 -1.222,466 -2.216,467 -0.824,468 11.267,469 0.49,470 0.554,471 0.024,472 34.5,473 1.5,474 19,475 0.826,476 15.5,477 0.674,478 15.22,479 0.662,480 22.933,481 0.62,482 21.854,483 0.95,484 6.695,485 0.291,486 4.508,487 0.196,488 0.074,490 0.346,496 1.009,497 1.172,498 0.704,499 0.814,500 1.002,501 0.773,502 0.706,503 1.275,504 0.803,505 1.062,506 0.561,507 0.901,508 1.274,509 1.058,510 0.946,511 0.881,512 1.105,513 0.941,514 1.106,515 1.02,516 0.935,517 0.884,518 0.89,519 0.958,520 0.692,521 0.982,522 1.273,523 1.13,524 0.607,525 1.039,526 0.914,527 1.101,528 1.714,529 1.463,530 0.801,531 1.211,532 0.781,533 0.933,534 1.095,535 1.067,536 0.666,537 0.948,538 1.029,539 0.975,540 1.014,541 0.985,542 0.755,543 0.91,544 4.5,545 0.087,546 2.222,547 2.014,548 1.049,549 0.525,550 0.397,551 0.233,552 0.196,553 0.085,554 6094,555 17092,556 2.168,557 37.8,559 7,560 2,562 2,563 3,567 1.654,568 2.06,569 3.274,570 0.321,572 1,577 61.96,578 1.675,579 3.725,580 4.442,581 4.865,582 4.865,583 4.865,584 2.707,585 4.35,586 4.495,587 3.421,588 865.446,589 7.724,590 9755.37,592 1,593 1,594 1,595 192.75,596 1.302,597 4.469,598 0.173,599 0.007,600 0.06,601 0.059,602 0.034,603 0.019,604 0.019,605 0.013,606 0.011,607 0.005,608 0.4,609 0.5,610 1,611 0.503,612 107.621,613 -0.13,614 -0.126,615 0.046,616 0.049,617 -0.196,618 0.041,619 0.136,620 -0.216,621 0.076,622 -0.143,623 0.101,624 -0.043,625 -0.199,626 -0.013,627 -0.11,628 -0.019,629 -0.138,630 -0.064,631 -0.135,632 0.011,633 0.004,634 0.047,635 -0.07,636 -0.029,637 0.062,638 0.074,639 -0.012,640 0.029,641 -0.003,642 -0.042,643 -0.086,644 -0.078,645 -0.284,646 -0.196,647 -0.072,648 -0.152,649 0.135,650 0.053,651 0.05,652 0.003,653 0.153,654 0.083,655 -0.106,657 -0.097,658 -0.048,659 0.092,660 0.056,661 1.42,662 3.333,663 0.87,664 18.34,665 1.006,666 1.113,667 2.902,668 8.422,669 0.728,670 3.296,671 3.638,672 3.932,673 4.248,674 4.431,675 4.477,676 4.625,677 4.718,678 4.727,679 4.812,680 5.807,681 0.692,682 322.42,683 3.296,684 4.844,685 5.707,686 6.6,687 7.482,688 8.38,689 9.27,690 10.172,691 11.068,692 11.971,693 10.8,701 2,703 2,708 1,709 9,710 2,713 1,714 6,716 21,728 1,732 1,735 37,737 21,738 1,739 26,741 40,742 17,743 16,744 2,745 4,748 4,749 5,754 1,762 16,763 1,780 1,783 14,784 4,785 2,786 6,787 1,789 1,792 4,797 0.75,798 1,809 1,815 2,816 2,819 1,843 3,845 1,847 1,851 23,857 1,860 1,868 1,874 2.7,876 1,881 11.167,882 6.967,883 4.944,884 2.069,886 4.032,887 1.548,888 1.026,889 3.597,890 11.382,891 3.624,892 4.304,893 4.951,894 5.619,895 6.114,896 6.436,897 6.901,898 7.331,899 7.556,900 7.931,901 0.857,902 34,903 8.434,905 3.605,906 7.674,907 16.134,909 13.309,911 2.174,912 50,916 141.253,917 136.376,918 52.868,920 42.683,922 31.278,923 105.098,924 183.937,925 52.868,926 8.825,928 83.03,929 77.97,930 28.068,931 26.299,932 148.989,934 141.253,935 157.967,936 42.683,937 31.278,939 141.253,940 42.683,943 35.852,944 88.544,945 33.571,946 31.278,947 141.253,948 95.552,949 136.376,952 141.253,953 44.521,954 93.142,955 18.011,956 76.254,957 141.253,958 95.552,959 136.376,961 0.586,962 0.342,963 0.194,964 0.106,965 20,966 8,967 0.075,968 3,969 1,970 1.1,971 3.617,972 189.457,973 0.1,974 20,975 100.042,977 1,981 14.364,982 5.759,983 2.734,984 0.918,985 94.265,986 16.883,987 9.237,990 1.538,991 4.798,993 60.694,994 373.181,995 36.5,1007 37.229,1008 41.199,1009 0.321,1010 0.715,1011 0.853,1012 0.934,1013 0.934,1014 0.934,1015 4.846,1016 1.354,1017 5.694,1018 4.152,1019 4.317,1020 4.99,1021 0.278,1022 6.518,1023 4.188,1024 6.08,1025 1,1026 7.253,1027 2.933,1028 3.892,1029 4.808,1031 7.427,1032 3.69,1033 7.399,1034 0.761,1035 8.913,1036 2.275,1037 5.916,1038 7.279,1039 0.05,1040 10.565,1041 5.662,1042 8.758,1043 0.464,1044 10.633,1045 1.832,1046 6.33,1047 7.966,1049 12.38,1050 5.993,1051 10.149,1052 0.127,1053 12.394,1054 1.231,1055 7.816,1056 9.869,1057 0.008,1058 15.041,1059 7.439,1060 11.566,1061 -0.377,1062 14.188,1063 0.303,1064 8.628,1065 10.984,1067 17.242,1068 8.172,1069 13.003,1070 -0.584,1071 16.006,1072 -0.936,1073 9.905,1074 12.653,1075 0.001,1076 19.755,1077 9.406,1078 3.262,1079 -0.858,1080 17.844,1081 -1.509,1082 10.908,1083 13.981,1085 22.111,1086 10.337,1087 2.748,1088 11.609,1089 19.698,1090 -2.216,1091 12.107,1092 15.555,1094 24.579,1095 11.487,1096 2.533,1097 8.239,1098 21.567,1099 4.626,1100 13.2,1101 16.987,1103 26.993,1104 12.513,1105 2.221,1106 7.444,1107 23.447,1108 3.767,1109 14.373,1110 18.525,1112 29.448,1113 13.634,1114 2,1115 6.438,1116 25.336,1117 3.58,1118 15.508,1119 20.006,1121 31.886,1122 14.706,1123 1.766,1124 5.619,1125 27.233,1126 2.99,1127 16.676,1128 21.533,1130 34.337,1131 15.818,1132 1.414,1133 5.127,1134 29.137,1135 2.684,1136 17.832,1137 23.038,1139 36.783,1140 16.912,1141 5706,1142 9686,1143 17.8,1144 26.932,1145 39.695,1146 39.347,1147 40.258,1148 39.257,1149 39.301,1150 55.083,1151 0.8,1152 114.404,1153 36.714,1154 5.45,1155 5.299,1156 6.593,1157 5.327,1158 5.262,1159 7.626,1160 0.8,1161 18.804,1162 5.071,1163 8.603,1164 1.527,1165 1.513,1166 1.548,1167 1.51,1168 1.512,1169 2.119,1170 0.031,1171 4.4,1172 1.412,1173 4.143,1174 4.187,1175 4.257,1176 4.013,1177 6.471,1178 4.023,1179 3.915,1180 3.945,1181 4.025,1182 3.833,1183 5.072,1184 3.83,1185 3.719,1186 3.738,1187 3.815,1188 3.704,1189 4.81,1190 3.643,1191 3.415,1192 3.472,1193 3.34,1194 3.314,1195 4.588,1196 3.294,1197 3.054,1198 3.113,1199 2.974,1200 2.841,1201 4.323,1202 2.863,1203 2.923,1204 3.008,1205 2.839,1206 2.76,1207 3.82,1208 2.751,1209 2.893,1210 2.959,1211 2.704,1212 2.735,1213 3.696,1214 2.715,1215 2.854,1216 2.925,1217 2.687,1218 2.715,1219 3.674,1220 2.699,1221 0.18,1222 0.127,1223 0.266,1224 0.162,1225 0.125,1226 4.684,1227 0.178,1228 3.299,1229 0.015,1230 6.912,1231 0.447,1232 4.204,1233 0.118,1234 3.262,1235 4.626,1236 0.4,1237 11.609,1238 3.071,1239 1.902,1240 1.861,1241 1.996,1242 2.058,1243 1.095,1244 2.041,1245 1.877,1246 1.851,1247 1.981,1248 1.984,1249 1.052,1250 1.985,1251 1.62,1252 1.583,1253 1.769,1254 1.76,1255 0.869,1256 1.764,1257 1.29,1258 1.288,1259 1.421,1260 1.473,1261 0.571,1262 1.455,1263 1.224,1264 1.158,1265 1.253,1266 1.365,1267 0.395,1268 1.419,1269 0.905,1270 0.841,1271 1.181,1272 1.106,1273 0.218,1274 1.132,1275 0.886,1276 0.821,1277 1.162,1278 1.072,1279 0.208,1280 1.107,1281 0.863,1282 0.813,1283 1.019,1284 1.062,1285 0.129,1286 1.084,1287 3.97,1289 5.303,1290 3.045,1291 6.821,1292 5.416,1293 8.424,1294 7.526,1295 10.073,1297 1.995,1302 9.333,1305 3.248,1314 25.622,1315 61.96,1316 137.814,1317 164.343,1318 179.995,1319 179.995,1320 179.995,1321 25.563,1322 7.351,1323 62.45,1324 90.69,1325 22,1326 12.492,1327 4.459,1328 3.524,1329 31.989,1330 80,1331 86,1332 0.198,1333 160.224,1334 257.16,1335 382.708,1336 15385,1338 15.811,1339 0.687,1340 0.574,1341 16.165,1342 13.21,1343 11.204,1344 0.431,1345 0.309,1346 7.154,1347 10.402,1348 6.892,1349 5.728,1350 11.658,1351 8.042,1352 10.299,1353 0.278,1354 0.163,1355 10.877,1356 6.043,1357 8.722,1358 0.174,1359 0.087,1360 9.362,1361 4.327,1362 7.62,1363 0.11,1364 0.047,1365 8.343,1366 3.246,1367 6.084,1368 0.073,1369 0.026,1370 6.725,1371 2.146,1372 0.31,1373 74.102,1374 0.237,1375 22.587,1376 0.545,1377 126,1378 350.278,1379 160.519,1380 368.324,1381 517.83,1382 346,1383 150,1384 385.191,1385 180.193,1386 405.141,1387 594.78,1388 382,1389 5.1}
{0 CHEMBL513909,1 1.525,2 14.237,3 3.655,4 13.36,5 148.213,6 6.776,7 0.286,8 4.432,9 4.57,10 3.921,11 3.892,12 5.424,13 3.869,14 5.038,15 5.248,16 4.303,17 4.321,18 5.967,19 4.272,20 5.327,21 5.562,22 4.434,23 4.515,24 6.261,25 4.439,26 5.431,27 5.678,28 4.445,29 4.554,30 6.405,31 4.474,32 5.442,33 5.683,34 4.457,35 4.572,36 6.485,37 4.487,38 5.406,39 5.644,40 4.35,41 4.546,42 6.381,43 4.44,44 5.411,45 5.686,46 4.183,47 4.452,48 6.3,49 4.321,50 5.263,51 5.539,52 4.107,53 4.326,54 6.139,55 4.205,56 0.032,57 1.179,58 18.11,59 6.578,60 11.145,61 9.87,62 0.476,63 1.902,64 35.32,65 11.066,66 36.537,67 17.074,68 0.556,69 2.349,70 47.751,71 14.58,72 54.5,73 22.827,74 0.654,75 2.456,76 53.861,77 15.746,78 79.905,79 24.541,80 1.011,81 2.478,82 54.847,83 15.761,84 111.883,85 24.678,86 0.642,87 2.419,88 52.039,89 15.848,90 80.741,91 24.641,92 0.768,93 2.258,94 53.425,95 14.967,96 86.391,97 24.141,98 0.738,99 1.93,100 46.069,101 13.81,102 76.125,103 21.436,104 41,105 60,106 0.235,107 0.541,108 0.765,109 0.845,110 0.845,111 0.845,112 3.668,113 0.983,114 -4.05,115 -4,116 -3.79,119 36.4,120 1,121 7,124 3,125 2,127 3,142 3,143 1,144 3,145 1,147 1,150 1,158 2,172 7,174 3,175 7,178 3,180 4,183 6,187 4,188 9,191 1,193 4,196 1,199 1,200 11,203 2,205 2,208 4,212 5,213 11,216 2,221 8,224 1,225 11,228 1,229 1,230 3,233 4,237 1,238 10,241 1,243 3,249 3,250 4,253 2,255 2,258 3,263 1,264 5,272 9,276 2746,277 25.825,278 25.825,279 25.825,280 25.825,281 25.825,282 24.229,283 41.796,284 14.896,285 26.489,286 20.56,287 20.56,288 20.56,289 20.56,290 20.56,291 17.857,292 69.22,293 6.879,294 21.543,295 4.742,296 2.765,297 1.313,298 0.792,299 0.792,300 0.792,301 4.37,306 1,307 1181,308 3.674,311 95.957,312 491.975,316 184.801,319 2.488,320 39.385,323 0.75,324 0.67,325 0.83,326 0.9,327 1,328 0.83,329 1,330 0.85,331 82.5,332 541,333 4.556,334 3.94,335 7.095,336 4.309,337 3.364,338 4.074,339 1.989,340 12.265,341 3.179,342 4.337,343 3.579,344 6.265,345 3.962,346 2.987,347 3.964,348 1.058,349 9.475,350 2.92,351 3.977,352 3.207,353 6.218,354 3.685,355 2.725,356 3.31,357 0.86,358 9.008,359 2.606,360 3.85,361 3.103,362 6.021,363 3.621,364 2.668,365 3.169,366 0.835,367 8.455,368 2.543,369 3.738,370 2.837,371 5.936,372 3.525,373 2.565,374 2.805,375 0.8,376 8.238,377 2.462,378 3.571,379 2.803,380 5.392,381 3.425,382 2.453,383 2.7,384 0.543,385 7.057,386 2.377,387 3.437,388 2.464,389 5.302,390 3.107,391 2.167,392 2.588,393 0.4,394 6.625,395 2.026,396 3.096,397 2.306,398 5.09,399 2.976,400 2.038,401 2.138,403 5.761,404 1.904,405 3.081,406 2.176,407 4.893,408 2.92,409 1.97,410 2.13,412 5.676,413 1.857,414 2.887,415 1.938,416 4.347,417 2.467,418 1.527,419 2.022,421 4.065,422 1.429,423 2.714,424 1.808,425 4.146,426 2.279,427 1.272,428 1.692,430 3.349,431 1.27,432 2.586,433 1.647,434 4.044,435 2.175,436 1.206,437 1.593,439 3.124,440 1.164,441 2.177,442 1.243,443 3.827,444 2.095,445 1.128,446 1.169,448 2.618,449 1.087,450 2,451 1.14,452 3.414,453 1.984,454 1,455 1,457 2.275,458 0.983,459 1.992,460 1.077,461 3.31,462 1.651,463 0.66,464 0.786,466 1.372,467 0.647,468 17.8,469 0.468,470 0.955,471 0.025,472 43.25,473 1.138,474 17,475 0.447,476 26.25,477 0.691,478 42.518,479 1.119,480 43.4,481 0.564,482 36.805,483 0.969,484 7.813,485 0.206,486 10.576,487 0.278,488 0.15,490 0.376,496 0.804,497 1.678,498 0.864,499 1.322,500 0.564,501 1.127,502 0.885,503 1.115,504 0.894,505 0.975,506 0.54,507 0.934,508 0.906,509 1.162,510 0.936,511 1.064,512 0.799,513 1.005,514 1.21,515 1.052,516 0.98,517 0.975,518 1.298,519 0.945,520 1.148,521 0.986,522 1.035,523 0.937,524 1.399,525 0.962,526 1.105,527 1.185,528 1.132,529 1.161,530 1.257,531 1.151,532 1.139,533 0.977,534 1.084,535 0.956,536 1.098,537 0.997,538 0.988,539 0.805,540 0.93,541 0.848,542 0.799,543 0.875,544 7.5,545 0.307,546 4.667,547 2.903,548 3.186,549 1.576,550 1.003,551 0.777,552 0.502,553 0.385,554 23285,555 50645,556 2.081,557 50.6,558 7,559 19,561 1,562 2,564 6,565 4,567 1.787,568 1.932,569 3.72,570 0.175,577 117.4,578 1.525,579 3.502,580 4.954,581 5.474,582 5.474,583 5.474,584 3.242,585 4.86,586 5.218,587 3.97,588 2790.61,589 9.189,590 46312.4,595 482.543,596 1.462,597 5.171,598 0.179,599 0.007,600 0.078,601 0.044,602 0.048,603 0.024,604 0.017,605 0.016,606 0.011,607 0.008,608 0.433,609 0.33,610 0.63,611 0.782,612 211.289,613 -0.021,614 -0.336,615 0.075,616 -0.128,617 0.001,618 -0.029,619 0.08,620 0.069,621 0.09,622 0.07,623 0.091,624 0.076,625 0.049,626 -0.064,627 0.047,628 -0.046,629 0.06,630 -0.006,631 -0.082,632 -0.016,633 0.025,634 0.01,635 -0.051,636 0.032,637 0.052,638 0.061,639 -0.02,640 0.043,641 -0.001,642 0.008,643 -0.073,644 -0.125,645 -0.144,646 -0.149,647 -0.099,648 -0.157,649 -0.1,650 0.002,651 -0.084,652 -0.009,653 -0.105,654 -0.036,655 0.041,656 0.15,657 0.066,658 0.117,659 0.027,660 0.099,661 1.764,662 6.135,663 0.711,664 45.526,665 0.998,666 1.14,667 2.823,668 7.97,669 0.631,670 3.761,671 4.111,672 4.431,673 4.718,674 4.984,675 5.106,676 5.242,677 5.366,678 5.481,679 5.568,680 8.367,681 0.594,682 521.74,683 3.761,684 5.323,685 6.196,686 7.093,687 7.985,688 8.888,689 9.788,690 10.694,691 11.599,692 12.508,693 9.1,696 1,699 1,700 2,701 1,703 2,709 4,710 2,714 6,716 12,723 1,728 1,730 1,733 1,735 77,737 14,738 1,739 42,741 81,742 28,743 10,744 3,745 3,746 1,748 5,749 6,754 1,757 9,760 10,762 12,763 16,767 2,772 2,776 2,783 39,784 10,785 2,786 10,792 7,797 0.8,798 3,810 1,815 1,816 4,820 1,830 1,839 1,843 4,847 4,851 38,858 9,860 2,861 1,863 3,864 3,874 3.9,877 2,879 1,881 19.667,882 14.833,883 8.417,884 5.044,886 2.423,887 1.283,888 0.96,889 8.292,890 10.981,891 3.932,892 4.454,893 4.98,894 5.488,895 6.014,896 6.284,897 6.639,898 6.973,899 7.322,900 7.645,901 1,902 66,903 14.194,905 6.108,906 7.64,907 27.632,909 23.323,911 2.14,912 81.333,916 435.531,917 123.509,918 78.966,920 61.29,923 123.509,924 496.821,925 78.966,926 36.501,927 43.088,928 28.429,929 105.041,930 58.249,931 4.227,932 423.76,934 435.531,935 202.475,936 61.29,939 317.82,940 179.001,943 83.995,944 84.909,945 33.571,947 435.531,948 140.255,949 123.509,952 435.531,953 49.532,954 83.35,955 36.022,956 94.861,957 435.531,958 140.255,959 123.509,961 0.584,962 0.359,963 0.198,964 0.11,965 29,966 14,967 0.086,968 7,969 1,970 1.074,971 4.677,972 384.045,973 0.074,974 27,975 191.421,981 27.013,982 11.665,983 5.602,985 140.255,986 7.073,987 9.424,991 3.695,993 36.022,994 699.295,995 50,1000 26.043,1004 -0.007,1007 76.832,1008 87.76,1009 0.243,1010 0.559,1011 0.791,1012 0.874,1013 0.874,1014 0.874,1015 5.215,1016 2.038,1017 6.196,1018 6.625,1019 4.796,1020 5.142,1021 2.653,1022 7.048,1023 4.707,1024 6.389,1025 1.97,1026 7.784,1027 5.761,1028 4.443,1029 4.956,1030 1.803,1031 8.03,1032 4.306,1033 7.692,1034 1.527,1035 9.47,1036 5.676,1037 6.431,1038 7.203,1039 3.28,1040 11.165,1041 6.252,1042 9.025,1043 1.272,1044 11.215,1045 4.065,1046 6.899,1047 7.827,1048 3.237,1049 12.979,1050 6.672,1051 10.392,1052 1.206,1053 12.998,1054 3.349,1055 8.353,1056 9.586,1057 4.354,1058 15.661,1059 8.083,1060 11.78,1061 1.128,1062 14.808,1063 3.124,1064 9.192,1065 10.576,1066 4.691,1067 17.843,1068 8.872,1069 13.187,1070 1,1071 16.638,1072 2.618,1073 10.452,1074 12.145,1075 5.607,1076 20.386,1077 10.085,1078 3.364,1079 0.66,1080 18.484,1081 2.275,1082 11.468,1083 13.319,1084 6.118,1085 22.741,1086 11.049,1087 2.987,1088 12.265,1089 20.344,1090 1.372,1091 12.661,1092 14.802,1093 6.929,1094 25.245,1095 12.192,1096 2.725,1097 9.475,1098 22.215,1099 4.074,1100 13.764,1101 16.073,1102 7.524,1103 27.68,1104 13.239,1105 2.668,1106 9.008,1107 24.096,1108 3.964,1109 14.941,1110 17.512,1111 8.278,1112 30.176,1113 14.362,1114 2.565,1115 8.455,1116 25.986,1117 3.31,1118 16.087,1119 18.837,1120 8.915,1121 32.648,1122 15.45,1123 2.453,1124 8.238,1125 27.884,1126 3.169,1127 17.265,1128 20.254,1129 9.639,1130 35.146,1131 16.572,1132 2.167,1133 7.057,1134 29.789,1135 2.805,1136 18.435,1137 21.608,1138 10.3,1139 37.636,1140 17.682,1141 21931,1142 32586,1143 27.857,1144 48.586,1145 63.096,1146 64.991,1147 66.159,1148 62.827,1149 62.777,1150 73.874,1151 12.968,1152 185.722,1153 60.058,1154 5.556,1155 5.94,1156 6.69,1157 5.394,1158 5.364,1159 7.074,1160 3.465,1161 20.265,1162 5.179,1163 20.817,1164 1.502,1165 1.547,1166 1.575,1167 1.496,1168 1.495,1169 1.759,1170 0.309,1171 4.422,1172 1.43,1173 4.048,1174 4.097,1175 4.002,1176 3.903,1177 7.43,1178 3.918,1179 3.938,1180 3.976,1181 3.886,1182 3.82,1183 7.426,1184 3.83,1185 3.845,1186 3.904,1187 3.73,1188 3.689,1189 5.01,1190 3.69,1191 3.784,1192 3.839,1193 3.665,1194 3.649,1195 4.81,1196 3.649,1197 3.596,1198 3.656,1199 3.507,1200 3.429,1201 4.401,1202 3.434,1203 3.42,1204 3.486,1205 3.332,1206 3.17,1207 4.365,1208 3.201,1209 3.337,1210 3.423,1211 3.181,1212 3.075,1213 4.311,1214 3.092,1215 3.241,1216 3.314,1217 3.054,1218 2.978,1219 4.132,1220 2.983,1221 0.108,1222 0.094,1223 0.169,1224 0.103,1225 0.08,1226 4.556,1227 0.097,1228 3.94,1229 0.047,1230 7.095,1231 0.292,1232 4.309,1233 0.076,1234 3.364,1235 4.074,1236 1.989,1237 12.265,1238 3.179,1239 1.925,1240 1.899,1241 2.051,1242 2.096,1243 1.4,1244 2.071,1245 1.871,1246 1.827,1247 2.004,1248 2.047,1249 1.313,1250 2.046,1251 1.815,1252 1.755,1253 1.967,1254 1.976,1255 1.211,1256 1.976,1257 1.579,1258 1.52,1259 1.86,1260 1.774,1261 1.112,1262 1.793,1263 1.577,1264 1.507,1265 1.798,1266 1.751,1267 1.094,1268 1.78,1269 1.516,1270 1.451,1271 1.758,1272 1.701,1273 0.876,1274 1.731,1275 1.331,1276 1.264,1277 1.61,1278 1.622,1279 0.825,1280 1.614,1281 1.276,1282 1.19,1283 1.571,1284 1.568,1285 0.745,1286 1.571,1287 4.443,1289 5.784,1290 2.398,1291 7.326,1292 4.443,1293 8.965,1294 6.293,1295 10.659,1297 7.54,1303 9.06,1305 6.437,1306 5.625,1308 0.261,1309 6.183,1314 45.723,1315 117.4,1316 269.671,1317 381.465,1318 421.523,1319 421.523,1320 421.523,1321 80.143,1322 8.557,1323 102.93,1324 102.93,1325 29,1326 13.025,1327 3.907,1328 3.17,1329 59.237,1330 193,1331 224,1332 0.15,1333 278.519,1334 491.61,1335 671.346,1336 69646,1338 26.811,1339 0.706,1340 0.602,1341 26.811,1342 22.866,1343 18.389,1344 0.438,1345 0.328,1346 13.54,1347 17.558,1348 13.164,1349 10.943,1350 18.389,1351 13.766,1352 16.495,1353 0.275,1354 0.178,1355 16.495,1356 10.66,1357 14.634,1358 0.176,1359 0.099,1360 14.634,1361 8.176,1362 12.164,1363 0.11,1364 0.053,1365 12.164,1366 5.921,1367 9.969,1368 0.069,1369 0.028,1370 9.969,1371 4.01,1372 0.238,1373 116.099,1374 0.189,1375 34.488,1376 0.402,1377 204,1378 554.098,1379 226.655,1380 527.84,1381 728.12,1382 496,1383 245,1384 543.776,1385 269.849,1386 547.986,1387 810.21,1388 514,1389 5}
{0 CHEMBL514499,1 1.934,2 11.818,3 4.685,4 21.946,5 116.287,6 9.363,7 0.583,8 4.078,9 4.161,10 3.849,11 3.604,12 5.347,13 3.624,14 4.604,15 4.724,16 4.312,17 3.973,18 6.258,19 3.993,20 4.685,21 4.79,22 4.369,23 4.075,24 6.011,25 4.083,26 4.847,27 4.977,28 4.393,29 4.133,30 6.243,31 4.123,32 4.956,33 5.14,34 4.252,35 4.067,36 6.328,37 4.039,38 4.718,39 4.892,40 4.16,41 4.005,42 5.955,43 3.973,44 4.754,45 4.927,46 4.251,47 4.027,48 6.077,49 3.991,50 4.741,51 4.904,52 4.276,53 3.919,54 6.146,55 3.912,56 0.297,57 0.94,58 6.594,59 4.885,60 34.146,61 4.503,62 1.206,63 1.821,64 17.847,65 8.151,66 163.495,67 7.395,68 0.761,69 1.612,70 18.464,71 9.253,72 65.186,73 8.418,74 1.045,75 1.942,76 23.708,77 11.288,78 90.609,79 10.609,80 1.854,81 1.895,82 35.436,83 12.375,84 183.642,85 11.633,86 0.929,87 1.502,88 23.437,89 9.203,90 95.362,91 9.123,92 0.827,93 1.611,94 23.83,95 10.193,96 81.346,97 10.652,98 0.998,99 1.81,100 31.216,101 10.77,102 114.151,103 9.473,104 66,105 53,106 0.32,107 0.654,108 0.765,109 0.829,110 0.848,111 0.861,112 3.532,113 0.863,114 -3.58,115 -3.55,116 -3.39,119 43.1,124 2,125 1,132 1,142 7,143 2,144 3,146 1,152 2,153 1,158 1,160 1,163 1,164 1,165 1,172 6,174 1,175 8,177 1,178 1,183 7,187 1,188 8,193 1,196 4,198 1,199 4,200 5,202 1,203 1,205 1,208 3,210 1,212 3,213 1,215 1,216 1,221 5,224 1,225 5,230 1,233 4,235 1,237 1,238 8,240 1,241 1,243 3,246 3,248 3,249 1,250 6,255 3,258 2,260 3,263 2,264 4,266 1,267 1,269 1,272 3,274 1,276 1872,277 21.867,278 21.867,279 21.867,280 21.867,281 21.867,282 19.348,283 26.813,284 12.452,285 22.87,286 17.636,287 17.636,288 17.636,289 17.636,290 17.636,291 13.557,292 29.695,293 5.691,294 19.206,295 3.739,296 1.724,297 1.057,298 0.672,299 0.554,300 0.476,301 4.22,305 1,306 1,307 828,308 4.243,311 164.564,312 207.855,315 139.8,319 1.945,320 58.874,323 1,324 0.83,325 1,326 0.4,327 0.5,328 1,329 1,330 0.82,331 76,332 390,333 4.662,334 4.471,335 7.247,336 4.255,337 3.375,338 4.602,339 3.825,340 12.232,341 3.028,342 4.535,343 3.575,344 6.767,345 4.17,346 3.24,347 4.08,348 1.151,349 11.138,350 3.018,351 4.387,352 3.322,353 6.444,354 3.941,355 3.004,356 3.99,357 0.98,358 9.965,359 2.796,360 4.014,361 3.078,362 6.105,363 3.601,364 2.675,365 3.51,366 0.86,367 8.85,368 2.465,369 3.658,370 2.946,371 5.599,372 3.325,373 2.412,374 2.937,375 0.86,376 7.354,377 2.134,378 3.583,379 2.69,380 5.588,381 3.141,382 2.191,383 2.858,385 7.129,386 2.064,387 3.276,388 2.296,389 4.918,390 2.851,391 1.902,392 2.506,394 5.325,395 1.785,396 3.075,397 2.188,398 4.728,399 2.634,400 1.717,401 2.265,403 4.963,404 1.566,405 2.908,406 1.776,407 4.22,408 2.471,409 1.484,410 2.07,412 3.575,413 1.461,414 2.623,415 1.445,416 4.141,417 2.121,418 1.187,419 1.676,421 3.27,422 1.095,423 2.583,424 1.345,425 3.84,426 2.05,427 1.15,428 1.616,430 2.827,431 1.021,432 2.448,433 1.323,434 3.62,435 2.012,436 1.131,437 1.429,439 2.733,440 0.984,441 2.301,442 1.146,443 3.563,444 1.73,445 0.811,446 1.149,448 2.087,449 0.72,450 1.793,451 0.947,452 3.156,453 1.442,454 0.548,455 0.667,457 1.333,458 0.481,459 1.629,460 0.854,461 2.956,462 1.225,463 0.356,464 0.417,466 0.636,467 0.3,468 15.224,469 0.461,470 1.035,471 0.031,472 43,473 1.303,474 21,475 0.636,476 22,477 0.667,478 28.493,479 0.863,480 36.376,481 0.713,482 38.206,483 1.158,484 8.949,485 0.271,486 6.774,487 0.205,488 0.17,489 0.033,490 0.355,493 3,496 0.71,497 0.981,498 0.636,499 0.978,500 0.639,501 0.862,502 0.774,503 0.664,504 0.706,505 0.729,506 0.44,507 0.673,508 0.82,509 1.028,510 0.886,511 1.188,512 0.683,513 1.009,514 0.913,515 1.198,516 1.11,517 1.306,518 0.863,519 1.202,520 1.197,521 0.902,522 1.236,523 0.888,524 1.175,525 0.967,526 0.879,527 0.742,528 1.004,529 0.868,530 0.786,531 0.902,532 0.713,533 0.917,534 0.892,535 1.08,536 0.688,537 1.012,538 1.046,539 1.301,540 1.295,541 1.445,542 1.209,543 1.101,544 8,545 0.222,546 4.667,547 3.014,548 2.354,549 1.316,550 0.945,551 0.734,552 0.67,553 0.362,554 14502,555 56023,556 2.018,557 35.3,559 15,561 1,562 2,567 1.755,568 1.842,569 3.513,570 0.282,577 98.618,578 1.934,579 3.949,580 4.615,581 5.001,582 5.118,583 5.197,584 2.954,585 4.658,586 5.017,587 3.728,588 1968.17,589 8.801,590 29148.9,595 289.294,596 1.681,597 4.943,598 0.222,599 0.007,600 0.088,601 0.055,602 0.043,603 0.028,604 0.021,605 0.016,606 0.015,607 0.01,608 0.504,609 0.33,610 0.88,611 0.996,612 174.339,613 -0.08,614 -0.08,615 0.034,616 -0.024,617 -0.116,618 0.01,619 0.172,620 0.329,621 0.172,622 0.263,623 0.369,624 0.226,625 -0.056,626 -0.16,627 0.017,628 -0.144,629 -0.038,630 -0.086,631 -0.02,632 -0.21,633 -0.13,634 -0.249,635 -0.033,636 -0.255,637 -0.068,638 0.132,639 -0.151,640 0.129,641 -0.12,642 0.024,643 -0.139,644 0.072,645 -0.046,646 0.107,647 -0.095,648 0.074,649 -0.013,650 -0.12,651 0.113,652 -0.063,653 0.022,654 0.003,655 -0.092,656 -0.286,657 -0.029,658 -0.267,659 -0.141,660 -0.098,661 5.776,662 5.279,663 0.606,664 33.19,665 1.043,666 1.137,667 2.351,668 5.528,669 0.689,670 3.611,671 3.989,672 4.277,673 4.564,674 4.754,675 4.905,676 5.075,677 5.215,678 5.323,679 5.412,680 7.214,681 0.686,682 477.5,683 3.611,684 5.187,685 6.057,686 6.967,687 7.857,688 8.77,689 9.667,690 10.581,691 11.482,692 12.397,693 5.9,700 1,701 1,703 1,708 2,709 8,710 1,713 1,714 7,715 1,716 21,722 1,733 3,735 51,737 22,738 2,739 36,741 54,742 22,743 17,744 6,745 6,746 1,748 4,749 5,754 1,759 1,762 18,763 4,767 1,772 1,776 1,781 3,783 18,784 9,785 2,786 11,787 1,789 1,792 3,797 0.75,798 4,815 2,816 2,819 1,843 3,845 1,847 2,849 3,851 33,852 1,858 1,861 3,865 1,869 1,873 3,874 7.8,877 1,879 3,881 17.917,882 9.912,883 7.194,884 2.64,886 4.091,887 1.504,888 0.995,889 6.547,890 12.201,891 3.882,892 4.543,893 5.183,894 5.813,895 6.318,896 6.744,897 7.201,898 7.643,899 7.974,900 8.347,901 0.875,902 55,903 12.696,905 5.964,906 8.28,907 22.093,909 17.865,911 2.78,912 91.75,916 188.338,917 173.73,918 51.582,920 58.145,921 44.88,922 31.278,923 142.453,924 246.482,925 96.462,926 21.766,927 37.49,928 66.334,929 67.025,930 104.954,931 3.503,932 207.844,933 7.76,934 188.338,935 194.034,936 103.025,937 31.278,939 188.338,940 103.025,943 58.84,944 118.408,945 16.786,946 31.278,947 233.218,948 109.726,949 173.73,952 196.097,953 69.252,954 98.618,956 152.708,957 188.338,958 154.607,959 173.73,961 0.593,962 0.352,963 0.192,964 0.1,965 26,966 13,967 0.13,968 7,969 1,970 1.1,971 4.198,972 313.5,973 0.1,974 20,975 161.71,977 1,981 23.394,982 9.235,983 4.657,984 1.28,985 152.708,986 11.61,987 4.347,990 1.038,991 0.835,992 1.699,993 32.897,994 516.675,995 47.5,1000 12.001,1004 -0.756,1007 53.182,1008 58.008,1009 0.341,1010 0.696,1011 0.814,1012 0.882,1013 0.902,1014 0.916,1015 5.149,1016 1.717,1017 6.098,1018 5.325,1019 4.673,1020 5.231,1021 3.345,1022 6.991,1023 4.512,1024 6.403,1025 1.484,1026 7.718,1027 4.963,1028 4.511,1029 5.223,1030 3.903,1031 8.186,1032 4.218,1033 7.752,1034 1.187,1035 9.446,1036 3.575,1037 6.389,1038 7.523,1039 5.453,1040 11.242,1041 6.069,1042 9.14,1043 1.15,1044 11.236,1045 3.27,1046 7.022,1047 8.325,1048 6.69,1049 13.217,1050 6.56,1051 10.559,1052 1.131,1053 13.066,1054 2.827,1055 8.431,1056 10.13,1057 8.06,1058 15.855,1059 7.933,1060 12,1061 0.811,1062 14.922,1063 2.733,1064 9.388,1065 11.295,1066 9.388,1067 18.124,1068 8.758,1069 13.457,1070 0.548,1071 16.798,1072 2.087,1073 10.641,1074 12.909,1075 10.734,1076 20.638,1077 9.956,1078 3.375,1079 0.356,1080 18.688,1081 1.333,1082 11.731,1083 14.245,1084 12.074,1085 23.025,1086 10.928,1087 3.24,1088 12.232,1089 20.59,1090 0.636,1091 12.934,1092 15.782,1093 13.417,1094 25.504,1095 12.059,1096 3.004,1097 11.138,1098 22.501,1099 4.602,1100 14.079,1101 17.201,1102 14.758,1103 27.941,1104 13.097,1105 2.675,1106 9.965,1107 24.419,1108 4.08,1109 15.268,1110 18.711,1111 16.1,1112 30.414,1113 14.203,1114 2.412,1115 8.85,1116 26.344,1117 3.99,1118 16.438,1119 20.171,1120 17.441,1121 32.874,1122 15.271,1123 2.191,1124 7.354,1125 28.275,1126 3.51,1127 17.625,1128 21.673,1129 18.783,1130 35.35,1131 16.369,1132 1.902,1133 7.129,1134 30.211,1135 2.937,1136 18.807,1137 23.156,1138 20.124,1139 37.823,1140 17.451,1141 14100,1142 27904,1143 23.175,1144 35.148,1145 55.683,1146 55.769,1147 57.449,1148 55.095,1149 55.019,1150 72.312,1151 15.352,1152 167.786,1153 50.412,1154 5.519,1155 6.471,1156 6.929,1157 5.42,1158 5.375,1159 7.602,1160 5.335,1161 19.718,1162 5.028,1163 20.489,1164 1.547,1165 1.549,1166 1.596,1167 1.53,1168 1.528,1169 2.009,1170 0.426,1171 4.661,1172 1.4,1173 4.141,1174 4.17,1175 4.306,1176 4.048,1177 8.513,1178 4.043,1179 3.955,1180 3.978,1181 3.998,1182 3.879,1183 7.999,1184 3.88,1185 3.833,1186 3.829,1187 3.905,1188 3.82,1189 7.999,1190 3.777,1191 3.489,1192 3.523,1193 3.432,1194 3.243,1195 7.437,1196 3.285,1197 3.318,1198 3.364,1199 3.331,1200 3.045,1201 5.09,1202 3.072,1203 3.278,1204 3.33,1205 3.21,1206 2.985,1207 4.902,1208 3.029,1209 3.249,1210 3.314,1211 3.124,1212 2.965,1213 4.781,1214 2.982,1215 3.161,1216 3.216,1217 3.056,1218 2.933,1219 4.716,1220 2.948,1221 0.13,1222 0.124,1223 0.201,1224 0.118,1225 0.094,1226 4.662,1227 0.128,1228 4.471,1229 0.106,1230 7.247,1231 0.34,1232 4.255,1233 0.084,1234 3.375,1235 4.602,1236 3.825,1237 12.232,1238 3.028,1239 1.922,1240 1.901,1241 2.024,1242 2.023,1243 1.17,1244 2.018,1245 1.908,1246 1.893,1247 1.963,1248 2.014,1249 1.129,1250 2.004,1251 1.559,1252 1.545,1253 1.654,1254 1.75,1255 0.753,1256 1.719,1257 1.52,1258 1.508,1259 1.577,1260 1.702,1261 0.683,1262 1.681,1263 1.221,1264 1.162,1265 1.563,1266 1.527,1267 0.575,1268 1.54,1269 1.194,1270 1.139,1271 1.505,1272 1.507,1273 0.565,1274 1.519,1275 1.173,1276 1.103,1277 1.421,1278 1.466,1279 0.557,1280 1.448,1281 1.096,1282 1.055,1283 1.262,1284 1.439,1285 0.274,1286 1.343,1287 4.29,1289 5.652,1290 3.045,1291 7.2,1292 5.416,1293 8.832,1294 7.535,1295 10.512,1297 3.019,1299 39.836,1301 5.496,1303 -0.387,1306 16.257,1310 -4.526,1314 35.002,1315 98.618,1316 201.378,1317 235.378,1318 255.029,1319 261.029,1320 265.029,1321 81.078,1322 8.11,1323 88.6,1324 116.84,1325 22,1326 12.911,1327 4.524,1328 3.644,1329 54.259,1330 144,1331 138,1332 0.185,1333 214.048,1334 374.6,1335 514.037,1336 38936,1337 5.9,1338 23.75,1339 0.72,1340 0.554,1341 21.604,1342 18.289,1343 15.723,1344 0.437,1345 0.288,1346 9.351,1347 14.309,1348 9.087,1349 7.491,1350 14.92,1351 10.352,1352 14.967,1353 0.282,1354 0.15,1355 13.588,1356 7.927,1357 12.099,1358 0.17,1359 0.085,1360 12.292,1361 6.035,1362 10.374,1363 0.109,1364 0.045,1365 10.406,1366 4.288,1367 8.036,1368 0.07,1369 0.024,1370 8.203,1371 2.743,1372 0.29,1373 105.666,1374 0.208,1375 30.422,1376 0.511,1377 178,1378 792.738,1379 238.261,1380 688.086,1381 904.57,1382 640,1383 213,1384 621.108,1385 267.846,1386 623.72,1387 937.93,1388 581,1389 6.7}
{0 CHEMBL516312,1 1.538,2 11.308,3 2.064,4 4.259,5 96.912,6 8.702,7 0.759,8 3.791,9 3.896,10 3.495,11 3.426,12 5.074,13 3.429,14 4.233,15 4.359,16 3.832,17 3.8,18 5.469,19 3.784,20 4.46,21 4.626,22 3.873,23 3.88,24 5.692,25 3.843,26 4.484,27 4.681,28 3.751,29 3.786,30 5.757,31 3.739,32 4.386,33 4.596,34 3.668,35 3.681,36 5.599,37 3.639,38 4.245,39 4.418,40 3.646,41 3.646,42 5.479,43 3.615,44 4.256,45 4.442,46 3.611,47 3.62,48 5.479,49 3.58,50 4.237,51 4.469,52 3.412,53 3.479,54 5.45,55 3.419,56 0.045,57 0.581,58 5.211,59 2.812,60 7.196,61 3.09,62 0.145,63 0.902,64 8.91,65 4.569,66 15.279,67 5.2,68 0.151,69 1.101,70 13.534,71 6.342,72 23.303,73 7.522,74 0.332,75 1.134,76 15.991,77 6.276,78 44.584,79 7.23,80 0.266,81 0.989,82 15.913,83 6.181,84 44.66,85 7.53,86 0.215,87 0.873,88 11.858,89 5.04,90 35.774,91 5.797,92 0.154,93 0.927,94 11.514,95 4.882,96 16.812,97 5.776,98 0.258,99 0.894,100 14.061,101 5.098,102 39.323,103 6.238,104 6,105 40,106 0.265,107 0.596,108 0.764,109 0.854,110 0.875,111 0.875,112 3.304,113 0.821,114 -3.17,115 -3.16,116 -3.04,119 51.3,142 7,143 5,144 1,145 3,151 1,158 2,161 1,172 11,175 6,178 2,180 3,183 11,188 6,192 1,193 3,196 8,199 1,200 6,203 2,205 3,208 6,213 4,216 1,218 3,221 5,224 1,225 5,230 5,233 4,238 4,241 1,243 5,246 3,249 2,250 5,255 2,258 4,264 3,272 5,276 1048,277 18.024,278 18.024,279 18.024,280 18.024,281 18.024,282 15.3,283 10.844,284 10.647,285 18.239,286 14.258,287 14.258,288 14.258,289 14.258,290 14.258,291 10.078,292 13.036,293 4.987,294 14.591,295 3.748,296 1.826,297 0.85,298 0.327,299 0.205,300 0.205,301 4.005,304 1,305 1,306 1,307 642,308 2.915,311 58.69,312 232.516,315 104.761,319 1.793,320 23.202,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 55.5,332 294,333 4.575,334 4.057,335 6.576,336 4.106,337 3.132,338 4.52,339 2.035,340 10.475,341 3.055,342 4.199,343 3.579,344 6.112,345 3.82,346 2.823,347 3.814,348 1.058,349 8.947,350 2.812,351 4.124,352 3.113,353 6.011,354 3.718,355 2.722,356 3.669,358 8.528,359 2.707,360 3.872,361 2.772,362 5.297,363 3.369,364 2.376,365 3.257,367 6.77,368 2.359,369 3.426,370 2.365,371 5.128,372 2.953,373 2.006,374 2.766,376 6.012,377 1.896,378 3.206,379 2.191,380 4.426,381 2.663,382 1.689,383 2.448,385 4.311,386 1.637,387 3.163,388 2.004,389 4.27,390 2.502,391 1.525,392 2.279,394 3.994,395 1.487,396 2.838,397 1.525,398 4.01,399 2.19,400 1.225,401 1.78,403 3.229,404 1.179,405 2.665,406 1.324,407 3.451,408 2.009,409 1.02,410 1.5,412 2.453,413 1.002,414 2.537,415 1.24,416 3.414,417 2,418 1,419 1.5,421 2.275,422 1,423 2.5,424 1,425 3.247,426 1.954,427 1,428 1.498,430 2.136,431 0.951,432 2.5,433 1,434 3.234,435 1.611,436 0.671,437 1.058,439 1.579,440 0.628,441 2.124,442 0.811,443 2.832,444 1.426,445 0.478,446 0.862,448 0.754,449 0.451,450 1.202,451 0.311,452 2.61,453 0.739,454 -0.226,455 -0.305,457 -0.533,458 -0.216,459 0.973,460 0.1,461 2.458,462 0.478,463 -0.505,464 -0.725,466 -1.127,467 -0.493,468 12.333,469 0.474,470 0.516,471 0.02,472 42,473 1.615,474 25,475 0.962,476 17,477 0.654,478 14.558,479 0.56,480 24.867,481 0.638,482 29.498,483 1.135,484 8.382,485 0.322,486 4.359,487 0.168,488 0.059,490 0.324,496 0.771,497 1.085,498 0.659,499 0.841,500 0.513,501 0.746,502 0.685,503 1,504 0.827,505 0.944,506 0.544,507 0.913,508 0.894,509 1.194,510 0.97,511 1.173,512 0.767,513 1.108,514 1.236,515 0.908,516 1.171,517 1.005,518 1.213,519 1.061,520 1.161,521 0.914,522 0.929,523 0.888,524 1.207,525 0.877,526 1.16,527 1.029,528 0.978,529 0.944,530 1.019,531 0.943,532 0.959,533 1.2,534 1.071,535 1.149,536 0.66,537 1.123,538 1.14,539 0.807,540 1.094,541 0.873,542 1.057,543 0.944,544 4.5,545 0.065,546 3.111,547 1.292,548 1.022,549 1,550 0.445,551 0.269,552 0.284,553 0.137,554 8418,555 25671,556 2.148,557 33.3,559 7,560 1,561 3,562 2,567 1.69,568 2.053,569 3.466,570 0.251,571 1,572 1,574 1,577 59.977,578 1.538,579 3.459,580 4.435,581 4.958,582 5.08,583 5.08,584 2.936,585 4.316,586 4.668,587 3.588,588 1166.18,589 8.087,590 14540.8,591 1,592 1,594 1,595 206.131,596 1.239,597 4.65,598 0.155,599 0.004,600 0.078,601 0.032,602 0.03,603 0.031,604 0.014,605 0.009,606 0.012,607 0.007,608 0.372,609 0.5,610 1,611 0.646,612 127.597,613 -0.093,614 -0.063,615 0.022,616 0.022,617 -0.021,618 0.04,619 0.062,620 0.01,621 -0.08,622 -0.055,623 -0.012,624 -0.084,625 -0.019,626 -0.236,627 -0.073,628 -0.219,629 0.001,630 -0.172,631 -0.066,632 0.09,633 -0.165,634 -0.04,635 -0.095,636 -0.1,637 -0.017,638 0.028,639 0.139,640 0.131,641 -0.062,642 0.158,643 -0.069,644 -0.065,645 -0.036,646 0.022,647 -0.06,648 -0.001,649 -0.072,650 -0.186,651 -0.138,652 -0.215,653 0.002,654 -0.191,655 -0.081,656 0.196,658 0.126,659 -0.044,660 0.092,661 1.9,662 5.365,663 0.808,664 24.817,665 1.01,666 1.112,667 1.936,668 3.748,669 0.732,670 3.401,671 3.714,672 4.007,673 4.248,674 4.477,675 4.564,676 4.727,677 4.828,678 4.934,679 5.05,680 6.424,681 0.716,682 339.38,683 3.401,684 4.934,685 5.79,686 6.661,687 7.532,688 8.41,689 9.288,690 10.171,691 11.054,692 11.939,693 12.8,700 1,701 1,702 1,703 2,708 2,709 11,710 2,711 1,714 5,716 22,718 1,723 1,735 39,737 24,738 1,739 29,741 42,742 20,743 18,744 2,745 4,746 1,748 4,749 5,761 1,762 19,767 1,772 1,776 1,779 1,780 1,783 13,784 5,785 2,786 6,792 5,797 0.75,798 1,809 2,811 1,815 1,816 3,819 1,843 3,851 26,860 1,866 1,870 1,872 1,874 2.6,877 1,881 12.667,882 7.183,883 5.778,884 2.203,886 4.214,887 1.557,888 1.04,889 4.088,890 11.78,891 3.784,892 4.398,893 5.054,894 5.651,895 6.202,896 6.546,897 7.054,898 7.453,899 7.832,900 8.306,901 0.875,902 40,903 9.519,905 4.08,906 7.878,907 17.813,909 14.507,911 2.378,912 61.833,916 129.482,917 143.617,918 99.427,920 25.145,923 143.617,924 154.627,925 99.427,927 18.011,928 75.381,929 117.051,930 93.059,931 11.771,932 82.398,934 129.482,935 243.044,936 25.145,939 129.482,940 25.145,943 94.713,944 114.76,945 33.571,947 129.482,948 124.572,949 143.617,952 129.482,953 24.492,954 102.523,955 51.398,956 89.775,957 129.482,958 124.572,959 143.617,961 0.576,962 0.345,963 0.181,964 0.097,965 20,966 8,967 0.071,968 3,969 1,970 1.095,971 3.886,972 220.093,973 0.095,974 21,975 116.211,981 15.866,982 6.7,983 3.166,984 1.494,985 107.786,986 19.279,987 8.378,988 3.057,991 3.589,993 34.796,994 397.671,995 43,1000 12.365,1004 -0.234,1007 39.371,1008 43.362,1009 0.291,1010 0.655,1011 0.839,1012 0.938,1013 0.961,1014 0.961,1015 5.001,1016 1.225,1017 5.759,1018 3.994,1019 4.394,1020 5.085,1021 2.444,1022 6.555,1023 4.352,1024 6.225,1025 1.02,1026 7.307,1027 3.229,1028 3.892,1029 4.796,1031 7.424,1032 3.866,1033 7.532,1034 1,1035 8.955,1036 2.453,1037 5.974,1038 7.338,1039 3.632,1040 10.51,1041 5.901,1042 8.877,1043 1,1044 10.663,1045 2.275,1046 6.33,1047 7.941,1049 12.22,1050 6.269,1051 10.253,1052 0.671,1053 12.409,1054 2.136,1055 7.838,1056 9.886,1057 4.982,1058 14.801,1059 7.738,1060 11.653,1061 0.478,1062 14.182,1063 1.579,1064 8.587,1065 10.921,1067 16.852,1068 8.488,1069 13.071,1070 -0.226,1071 15.972,1072 0.754,1073 9.859,1074 12.607,1075 6.383,1076 19.261,1077 9.728,1078 3.132,1079 -0.505,1080 17.776,1081 -0.533,1082 10.796,1083 13.867,1085 21.462,1086 10.656,1087 2.823,1088 10.475,1089 19.591,1090 -1.127,1091 11.968,1092 15.438,1093 7.798,1094 23.812,1095 11.8,1096 2.722,1097 8.947,1098 21.413,1099 4.52,1100 12.996,1101 16.814,1103 26.081,1104 12.811,1105 2.376,1106 8.528,1107 23.242,1108 3.814,1109 14.129,1110 18.337,1111 9.218,1112 28.413,1113 13.918,1114 2.006,1115 6.77,1116 25.077,1117 3.669,1118 15.202,1119 19.772,1121 30.715,1122 14.969,1123 1.689,1124 6.012,1125 26.916,1126 3.257,1127 16.322,1128 21.277,1129 10.638,1130 33.045,1131 16.063,1132 1.525,1133 4.311,1134 28.759,1135 2.766,1136 17.418,1137 22.744,1139 35.365,1140 17.135,1141 7954,1142 14000,1143 19.879,1144 28.529,1145 44.909,1146 46.91,1147 44.289,1148 43.274,1149 43.333,1150 61.902,1151 6.186,1152 122.925,1153 42.332,1154 5.408,1155 6.057,1156 6.378,1157 5.156,1158 5.132,1159 7.52,1160 4.069,1161 17.277,1162 5.055,1163 9.422,1164 1.549,1165 1.618,1166 1.527,1167 1.492,1168 1.494,1169 2.135,1170 0.213,1171 4.239,1172 1.46,1173 4.131,1174 4.169,1175 4.099,1176 4.03,1177 7.429,1178 4.042,1179 3.897,1180 3.926,1181 3.849,1182 3.82,1183 6.82,1184 3.824,1185 3.865,1186 3.902,1187 3.814,1188 3.761,1189 5.064,1190 3.769,1191 3.426,1192 3.473,1193 3.376,1194 3.296,1195 4.876,1196 3.308,1197 3.259,1198 3.303,1199 3.212,1200 3.027,1201 4.681,1202 3.065,1203 3.066,1204 3.127,1205 3.013,1206 2.888,1207 4.317,1208 2.911,1209 2.854,1210 2.925,1211 2.754,1212 2.735,1213 3.951,1214 2.715,1215 2.841,1216 2.911,1217 2.687,1218 2.634,1219 3.816,1220 2.656,1221 0.158,1222 0.14,1223 0.227,1224 0.142,1225 0.108,1226 4.575,1227 0.156,1228 4.057,1229 0.07,1230 6.576,1231 0.361,1232 4.106,1233 0.105,1234 3.132,1235 4.52,1236 2.035,1237 10.475,1238 3.055,1239 1.987,1240 1.965,1241 2.062,1242 2.066,1243 1.181,1244 2.065,1245 1.846,1246 1.815,1247 1.947,1248 1.98,1249 0.979,1250 1.971,1251 1.762,1252 1.733,1253 1.842,1254 1.877,1255 0.932,1256 1.869,1257 1.493,1258 1.43,1259 1.63,1260 1.733,1261 0.63,1262 1.711,1263 1.188,1264 1.148,1265 1.301,1266 1.41,1267 0.343,1268 1.377,1269 1.063,1270 1.034,1271 1.181,1272 1.251,1273 0.241,1274 1.223,1275 0.886,1276 0.821,1277 1.181,1278 1.062,1279 0.218,1280 1.107,1281 0.853,1282 0.797,1283 1.04,1284 1.045,1286 1.052,1287 4.078,1289 5.389,1290 2.398,1291 6.903,1292 4.727,1293 8.5,1294 6.823,1295 10.14,1305 2.885,1312 8.916,1313 2.104,1314 27.929,1315 59.977,1316 134.916,1317 172.969,1318 193.376,1319 198.131,1320 198.131,1321 37.668,1322 7.566,1323 94.46,1324 94.46,1325 23,1326 12.472,1327 4.644,1328 3.907,1329 38.079,1330 98,1331 112,1332 0.187,1333 172.955,1334 290.99,1335 413.771,1336 20292,1338 17.933,1339 0.69,1340 0.523,1341 17.933,1342 13.601,1343 12.742,1344 0.439,1345 0.274,1346 7.845,1347 12.365,1348 7.694,1349 6.392,1350 12.742,1351 7.935,1352 11.135,1353 0.278,1354 0.143,1355 11.135,1356 5.707,1357 9.867,1358 0.183,1359 0.075,1360 9.867,1361 4.05,1362 8.042,1363 0.117,1364 0.039,1365 8.042,1366 2.693,1367 6.464,1368 0.074,1369 0.02,1370 6.464,1371 1.77,1372 0.295,1373 79.196,1374 0.224,1375 25.206,1376 0.513,1377 138,1378 413.337,1379 147.847,1380 414.11,1381 567.53,1382 386,1383 163,1384 418.848,1385 173.347,1386 430.844,1387 622.93,1388 405,1389 7.125}
{0 CHEMBL517647,1 2.049,2 12,3 1.689,4 2.853,5 108.063,6 11.658,7 0.387,8 3.95,9 4.058,10 3.852,11 3.484,12 5.347,13 3.487,14 4.415,15 4.542,16 4.314,17 3.872,18 5.935,19 3.845,20 4.74,21 4.899,22 4.458,23 4.011,24 6.339,25 3.974,26 4.818,27 5.007,28 4.483,29 3.913,30 6.381,31 3.922,32 4.746,33 4.925,34 4.307,35 3.827,36 6.477,37 3.872,38 4.726,39 4.891,40 4.314,41 3.841,42 6.549,43 3.867,44 4.663,45 4.827,46 4.349,47 3.788,48 6.523,49 3.791,50 4.545,51 4.73,52 4.507,53 3.733,54 6.205,55 3.66,56 0.355,57 0.886,58 2.022,59 4.051,60 63.464,61 3.527,62 0.655,63 1.373,64 5.367,65 7.31,66 119.475,67 6.947,68 1.249,69 1.858,70 28.731,71 10.807,72 218.395,73 9.136,74 1.505,75 1.796,76 34.164,77 10.94,78 243.52,79 8.867,80 1.539,81 1.632,82 20.429,83 8.783,84 285.969,85 8.404,86 1.657,87 1.766,88 26.173,89 9.928,90 301.064,91 8.483,92 1.626,93 1.645,94 15.141,95 9.169,96 305.941,97 7.336,98 1.261,99 1.344,100 23.855,101 10.085,102 241.041,103 7.886,104 110,105 44,106 0.353,107 0.721,108 0.866,109 0.921,110 0.921,111 0.921,112 3.44,113 0.906,114 -3.27,115 -3.26,116 -3.13,119 39.1,121 1,125 1,127 1,142 4,143 2,144 6,158 3,163 2,164 2,165 2,167 1,170 1,172 3,173 1,175 2,177 1,178 3,180 6,183 4,184 1,185 2,188 2,190 1,191 1,192 1,193 6,194 1,195 1,196 2,197 1,200 2,202 1,203 2,204 2,205 3,207 2,208 1,211 1,212 1,213 1,215 1,216 2,217 1,218 2,219 1,220 1,221 4,222 1,223 1,225 2,228 1,229 2,230 2,233 4,234 2,235 1,238 3,239 1,243 4,246 4,248 2,249 1,250 1,253 2,255 2,256 1,258 1,259 2,260 1,261 1,264 3,266 1,267 1,268 2,269 6,271 2,272 1,274 1,276 1492,277 18.913,278 18.913,279 18.913,280 18.913,281 18.913,282 16.746,283 23.785,284 10.85,285 19.351,286 15.181,287 15.181,288 15.181,289 15.181,290 15.181,291 11.865,292 28.612,293 5.097,294 16.057,295 3.474,296 1.334,297 0.495,298 0.174,299 0.174,300 0.174,301 4.095,307 725,308 4.472,312 227.781,319 2.133,320 76.035,323 0.5,324 0.67,325 0.67,326 0.6,328 0.5,329 0.5,330 0.49,331 69.9,332 360,333 4.585,334 3.743,335 6.804,336 4.191,337 3.226,338 4.309,339 1.955,340 11.107,341 3.108,342 4.22,343 3.675,344 6.106,345 3.783,346 2.842,347 3.872,348 1.886,349 8.803,350 2.735,351 3.949,352 3.482,353 6.008,354 3.74,355 2.747,356 3.278,357 1.437,358 8.318,359 2.642,360 3.872,361 3.404,362 5.898,363 3.518,364 2.546,365 3.103,366 0.575,367 8.037,368 2.455,369 3.554,370 3.202,371 5.474,372 3.182,373 2.231,374 2.854,375 0.4,376 6.734,377 2.145,378 3.468,379 2.709,380 4.958,381 3.092,382 2.099,383 2.702,384 0.138,385 5.781,386 2.055,387 3.393,388 2.576,389 4.671,390 2.902,391 2.031,392 2.615,394 5.097,395 1.547,396 2.909,397 2.275,398 4.466,399 2.476,400 1.538,401 2.003,403 4.036,404 1.389,405 2.809,406 1.991,407 4.128,408 2.335,409 1.371,410 1.891,412 3.515,413 1.3,414 2.429,415 1.865,416 3.782,417 2.195,418 1.224,419 1.367,421 2.936,422 1.175,423 1.978,424 1.659,425 3.378,426 1.648,427 0.666,428 0.809,430 1.663,431 0.632,432 1.709,433 1.137,434 3.246,435 1.381,436 0.515,437 0.582,439 1.216,440 0.398,441 1.389,442 0.856,443 2.864,444 1.008,445 0.127,446 0.149,448 0.294,449 0.097,450 1.243,451 0.625,452 2.653,453 0.84,454 -0.062,455 -0.076,457 -0.153,458 -0.037,459 0.798,460 0.53,461 2.359,462 0.501,463 -0.495,464 -0.524,466 -1.169,467 -0.201,468 14.433,469 0.481,470 1.08,471 0.036,472 35.75,473 1.192,474 17,475 0.567,476 18.75,477 0.625,478 27.956,479 0.932,480 33.567,481 0.73,482 32.992,483 1.1,484 7.454,485 0.248,486 6.552,487 0.218,488 0.321,490 0.416,494 3,496 0.738,497 0.898,498 0.491,499 0.579,500 0.69,501 0.696,502 0.598,503 1.062,504 0.585,505 0.735,506 0.58,507 0.899,508 0.882,509 1.035,510 0.931,511 0.976,512 0.913,513 1.064,514 1.195,515 1.046,516 0.666,517 0.779,518 1.197,519 0.903,520 1.061,521 1.044,522 0.294,523 0.53,524 1.066,525 0.807,526 1.071,527 1.081,528 0.535,529 0.665,530 1.076,531 0.844,532 1.202,533 1.113,534 0.547,535 0.649,536 1.167,537 0.903,538 1.176,539 1.139,540 1.016,541 0.985,542 1.167,543 0.951,544 8,545 0.227,546 4.444,547 2.5,548 2.449,549 1.396,550 0.914,551 0.766,552 0.46,553 0.217,554 10251,555 48990,556 1.867,557 34.8,559 7,562 7,563 2,567 1.731,568 1.667,569 3.499,570 4.268,575 1,577 94.27,578 2.049,579 4.189,580 5.029,581 5.35,582 5.35,583 5.35,584 3.095,585 4.44,586 4.872,587 3.708,588 1613.13,589 8.517,590 22451.5,595 254.084,596 1.566,597 4.776,598 0.258,599 0.011,600 0.101,601 0.052,602 0.054,603 0.031,604 0.02,605 0.019,606 0.014,607 0.008,608 0.569,609 0.17,610 0.88,611 1.77,612 154.355,613 -0.141,614 0.044,615 -0.011,616 0.08,617 -0.111,618 0.122,619 0.065,620 -0.127,621 0.017,622 0.009,623 0.072,624 -0.001,625 -0.005,626 -0.053,627 -0.061,628 -0.068,629 -0.037,630 -0.128,631 -0.161,632 -0.043,634 -0.014,635 -0.176,636 0.011,637 0.009,638 -0.011,639 0.032,640 0.022,642 0.067,643 0.076,645 -0.01,646 0.029,647 0.066,648 0.055,649 0.01,650 0.051,651 0.006,652 0.067,653 0.035,654 -0.02,655 -0.072,656 -0.082,657 0.058,658 0.068,659 -0.071,660 0.072,661 3.277,662 6.611,663 0.4,664 32.267,665 1.052,666 1.15,667 2.045,668 4.182,669 0.704,670 3.466,671 3.807,672 4.007,673 4.19,674 4.407,675 4.466,676 4.477,677 4.543,678 4.615,679 4.575,680 7.005,681 0.688,682 536.28,683 3.466,684 5.017,685 5.849,686 6.725,687 7.583,688 8.463,689 9.332,690 10.215,691 11.092,692 11.977,693 8.7,694 1,700 2,701 1,709 4,714 8,716 12,725 1,728 1,734 4,735 46,737 15,738 2,739 31,741 47,742 18,743 12,744 8,745 4,746 1,748 2,749 2,760 2,762 15,763 3,767 3,772 3,776 3,781 3,783 16,784 11,785 7,786 12,787 1,788 1,792 4,797 1,798 4,816 2,828 1,829 1,836 1,841 1,843 2,849 3,850 1,851 30,852 2,857 1,858 2,860 2,863 1,873 4,874 8.7,876 1,877 3,881 18,882 7.855,883 6.611,884 2.311,886 2.364,887 1.337,888 0.951,889 8.197,890 9.379,891 3.714,892 4.304,893 4.771,894 5.25,895 5.787,896 5.993,897 6.196,898 6.485,899 6.83,900 7.074,901 1,902 48,903 11.403,905 5.266,906 8.726,907 19.403,909 15.384,911 3.226,912 96.787,916 105.94,917 150.554,918 101.816,920 118.118,921 44.88,922 56.782,923 93.772,924 224.058,925 146.696,927 88.445,928 37.905,929 128.437,930 58.918,931 44.88,932 162.722,934 105.94,935 195.588,936 162.998,938 56.782,939 150.82,940 118.118,943 106.456,944 89.132,946 56.782,947 150.82,948 219.934,949 93.772,950 56.782,952 105.94,953 55.867,954 94.687,955 36.022,956 228.793,957 105.94,958 264.814,959 93.772,960 56.782,961 0.594,962 0.335,963 0.164,964 0.091,965 18,966 12,967 0.17,968 8,970 1,971 3.862,972 253.591,974 12,975 147.207,981 24.078,982 10.213,983 6.155,985 264.814,986 4.651,991 -5.471,993 144.499,994 521.308,995 40,1000 34.151,1004 -3.31,1007 48.392,1008 52.892,1009 0.371,1010 0.758,1011 0.91,1012 0.969,1013 0.969,1014 0.969,1015 4.97,1016 1.538,1017 5.878,1018 5.097,1019 4.489,1020 4.99,1021 2.908,1022 6.698,1023 4.386,1024 6.206,1025 1.371,1026 7.465,1027 4.036,1028 4.29,1029 5.017,1030 2.179,1031 7.65,1032 4.113,1033 7.531,1034 1.224,1035 9.148,1036 3.515,1037 6.107,1038 7.166,1039 3.823,1040 10.723,1041 5.938,1042 8.887,1043 0.666,1044 10.883,1045 2.936,1046 6.635,1047 7.915,1048 3.719,1049 12.441,1050 6.402,1051 10.267,1052 0.515,1053 12.651,1054 1.663,1055 8.006,1056 9.642,1057 4.918,1058 15.079,1059 7.773,1060 11.667,1061 0.127,1062 14.442,1063 1.216,1064 8.854,1065 10.722,1066 5.139,1067 17.145,1068 8.565,1069 13.081,1070 -0.062,1071 16.25,1072 0.294,1073 10.066,1074 12.289,1075 6.099,1076 19.626,1077 9.763,1078 3.226,1079 -0.495,1080 18.071,1081 -0.153,1082 11.064,1083 13.54,1084 6.507,1085 21.862,1086 10.713,1087 2.842,1088 11.107,1089 19.903,1090 -1.169,1091 12.22,1092 15.039,1093 7.334,1094 24.287,1095 11.845,1096 2.747,1097 8.803,1098 21.745,1099 4.309,1100 13.291,1101 16.38,1102 7.85,1103 26.607,1104 12.872,1105 2.546,1106 8.318,1107 23.595,1108 3.872,1109 14.431,1110 17.848,1111 8.602,1112 29.013,1113 13.982,1114 2.231,1115 8.037,1116 25.451,1117 3.278,1118 15.54,1119 19.238,1120 9.18,1121 31.375,1122 15.05,1123 2.099,1124 6.734,1125 27.314,1126 3.103,1127 16.679,1128 20.693,1129 9.89,1130 33.777,1131 16.156,1132 2.031,1133 5.781,1134 29.182,1135 2.854,1136 17.809,1137 22.11,1138 10.503,1139 36.161,1140 17.246,1141 10595,1142 23266,1143 18.729,1144 32.404,1145 46.98,1146 49.853,1147 49.757,1148 46.582,1149 46.323,1150 59.067,1151 12.78,1152 135.076,1153 43.359,1154 5.498,1155 5.743,1156 6.105,1157 5.22,1158 5.226,1159 7.309,1160 3.419,1161 18.683,1162 5.108,1163 22.723,1164 1.515,1165 1.608,1166 1.605,1167 1.503,1168 1.494,1169 1.905,1170 0.412,1171 4.357,1172 1.399,1173 4.017,1174 4.041,1175 10.695,1176 4.027,1177 8.239,1178 3.938,1179 3.861,1180 3.885,1181 3.988,1182 3.877,1183 8.201,1184 3.808,1185 3.758,1186 3.801,1187 3.768,1188 3.562,1189 8.161,1190 3.583,1191 3.449,1192 3.499,1193 3.68,1194 3.37,1195 7.475,1196 3.233,1197 3.302,1198 3.314,1199 3.376,1200 3.18,1201 7.438,1202 3.064,1203 3.177,1204 3.232,1205 3.278,1206 3.001,1207 7.426,1208 2.994,1209 2.987,1210 3.065,1211 3.063,1212 2.88,1213 6.351,1214 2.828,1215 2.897,1216 2.956,1217 2.815,1218 2.733,1219 4.987,1220 2.733,1221 0.148,1222 0.121,1223 0.219,1224 0.135,1225 0.104,1226 4.585,1227 0.139,1228 3.743,1229 0.063,1230 6.804,1231 0.358,1232 4.191,1233 0.1,1234 3.226,1235 4.309,1236 1.955,1237 11.107,1238 3.108,1239 1.943,1240 1.924,1241 1.995,1242 2.055,1243 1.179,1244 2.039,1245 1.837,1246 1.819,1247 1.897,1248 1.935,1249 1.069,1250 1.932,1251 1.675,1252 1.631,1253 1.839,1254 1.883,1255 1.04,1256 1.874,1257 1.337,1258 1.288,1259 1.524,1260 1.631,1261 0.68,1262 1.596,1263 1.123,1264 1.098,1265 1.346,1266 1.466,1267 0.228,1268 1.431,1269 1.043,1270 1.014,1271 1.129,1272 1.372,1273 0.185,1274 1.298,1275 0.9,1276 0.84,1277 1.109,1278 1.167,1279 0.128,1280 1.155,1281 0.857,1282 0.803,1283 1.055,1284 1.068,1286 1.078,1287 4.143,1289 5.476,1291 6.987,1293 8.588,1295 10.24,1299 43.119,1300 1.847,1301 10.369,1302 9.379,1303 -1.069,1305 4.428,1308 -1.306,1314 31.626,1315 94.27,1316 192.7,1317 231.329,1318 246.084,1319 246.084,1320 246.084,1321 154.335,1322 7.015,1323 147.54,1324 147.54,1325 12,1326 12.511,1327 4,1328 3.322,1329 69.113,1330 126,1331 130,1332 0.274,1333 206.641,1334 372.33,1335 495.963,1336 9145,1337 8.7,1338 22.585,1339 0.753,1340 0.577,1341 21.474,1342 17.297,1343 14.006,1344 0.452,1345 0.302,1346 8.163,1347 12.49,1348 8.014,1349 6.564,1350 13.623,1351 9.366,1352 13.338,1353 0.303,1354 0.168,1355 13.095,1356 7.381,1357 10.221,1358 0.189,1359 0.085,1360 9.495,1361 4.585,1362 7.65,1363 0.118,1364 0.045,1365 6.982,1366 2.9,1367 5.935,1368 0.073,1369 0.023,1370 5.966,1371 1.891,1372 0.429,1373 103.95,1374 0.231,1375 28.323,1376 0.755,1377 150,1378 738.628,1379 325.087,1380 667.557,1381 829.5,1382 608,1383 173,1384 526.671,1385 245.726,1386 526.619,1387 766.38,1388 492,1389 5.222}
{0 CHEMBL519697,1 1.526,2 13.516,3 4.209,4 17.719,5 117.512,6 7.42,7 0.471,8 4.113,9 4.236,10 3.679,11 3.668,12 5.233,13 3.645,14 4.666,15 4.849,16 4.048,17 4.08,18 5.708,19 4.031,20 4.952,21 5.164,22 4.146,23 4.226,24 6.026,25 4.159,26 5.034,27 5.263,28 4.064,29 4.173,30 6.2,31 4.097,32 4.931,33 5.169,34 3.965,35 4.076,36 6.03,37 4,38 4.864,39 5.1,40 3.923,41 4.064,42 5.944,43 3.978,44 4.82,45 5.054,46 3.881,47 4.049,48 5.92,49 3.953,50 4.772,51 5.02,52 3.727,53 3.982,54 5.74,55 3.855,56 0.009,57 0.843,58 11.107,59 4.892,60 10.445,61 6.555,62 0.275,63 1.38,64 21.639,65 8.504,66 24.965,67 11.772,68 0.181,69 1.707,70 30.473,71 11.183,72 43.869,73 15.69,74 0.547,75 1.758,76 35.135,77 11.017,78 91.616,79 15.379,80 0.382,81 1.557,82 31.996,83 10.519,84 72.302,85 14.644,86 0.377,87 1.489,88 29.473,89 10.125,90 66.763,91 14.215,92 0.355,93 1.458,94 27.625,95 9.771,96 62.731,97 13.923,98 0.289,99 1.374,100 26.529,101 9.656,102 43.289,103 14.04,104 27,105 48,106 0.248,107 0.583,108 0.715,109 0.814,110 0.83,111 0.83,112 3.472,113 0.929,114 -4.5,115 -4.42,116 -4.17,119 42.9,121 5,122 1,124 2,142 7,143 2,144 1,146 1,152 1,158 3,162 1,172 13,174 2,175 8,178 3,180 1,183 13,188 12,193 2,196 7,199 3,200 13,205 4,208 2,212 1,213 9,218 2,221 5,224 1,225 7,228 1,233 8,237 2,238 6,241 1,246 9,249 1,250 5,253 1,255 1,258 7,263 2,264 5,269 2,272 4,276 1630,277 20.938,278 20.938,279 20.938,280 20.938,281 20.938,282 18.768,283 21.854,284 12.128,285 21.218,286 16.646,287 16.646,288 16.646,289 16.646,290 16.646,291 13.103,292 26.047,293 5.652,294 17.082,295 4.281,296 2.221,297 1.413,298 0.804,299 0.706,300 0.706,301 4.164,305 1,306 1,307 902,308 3.873,311 74.591,312 311.882,315 136.944,319 2.241,320 32.507,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 66.5,332 419,333 4.637,334 4.057,335 6.708,336 4.155,337 3.209,338 4.588,339 2.035,340 10.838,341 3.045,342 4.225,343 3.832,344 6.514,345 3.973,346 3.004,347 3.8,348 1.94,349 9.991,350 2.912,351 4.182,352 3.582,353 6.049,354 3.815,355 2.811,356 3.523,357 1.058,358 8.671,359 2.815,360 3.884,361 3.203,362 5.738,363 3.464,364 2.487,365 3.195,366 0.555,367 7.696,368 2.421,369 3.725,370 2.718,371 5.45,372 3.364,373 2.369,374 3.027,376 6.832,377 2.348,378 3.358,379 2.493,380 5.274,381 3.002,382 2.047,383 2.572,385 6.494,386 1.95,387 3.167,388 2.223,389 4.836,390 2.711,391 1.735,392 2.447,394 5.113,395 1.696,396 3.09,397 2.097,398 4.513,399 2.629,400 1.662,401 1.971,403 4.262,404 1.595,405 2.923,406 1.868,407 4.116,408 2.331,409 1.329,410 1.876,412 3.45,413 1.322,414 2.676,415 1.754,416 3.659,417 2.176,418 1.187,419 1.5,421 2.845,422 1.169,423 2.5,424 1.382,425 3.524,426 2,427 1,428 1.321,430 2.275,431 1,432 2.341,433 1.282,434 3.414,435 2,436 1,437 1.094,439 2.136,440 1,441 2.184,442 1,443 3.247,444 1.793,445 0.822,446 1,448 2.043,449 0.794,450 2,451 1,452 3.135,453 1.451,454 0.48,455 0.924,457 1.011,458 0.455,459 1.83,460 0.954,461 2.897,462 1.426,463 0.43,464 0.538,466 0.739,467 0.43,468 14.667,469 0.473,470 0.784,471 0.025,472 41.25,473 1.331,474 21,475 0.677,476 20.25,477 0.653,478 26.454,479 0.853,480 32.733,481 0.585,482 32.164,483 1.038,484 7.617,485 0.246,486 7.357,487 0.237,488 0.141,490 0.361,496 0.682,497 1.377,498 0.774,499 1.106,500 0.481,501 0.974,502 0.569,503 0.98,504 0.81,505 0.948,506 0.447,507 0.915,508 0.936,509 1.221,510 0.902,511 1.099,512 0.748,513 1.011,514 1.475,515 1.025,516 1.155,517 0.994,518 1.391,519 1.023,520 1.386,521 0.98,522 1,523 0.93,524 1.351,525 0.917,526 1.124,527 0.936,528 0.973,529 0.916,530 0.964,531 0.925,532 0.847,533 0.967,534 1.001,535 1.004,536 0.632,537 1.017,538 0.623,539 1.049,540 1.001,541 1.081,542 0.563,543 1.09,544 6,545 0.177,546 4.222,547 2.764,548 1.707,549 1.292,550 0.75,551 0.511,552 0.332,553 0.29,554 13677,555 34910,556 2.065,557 44.6,558 10,559 13,562 1,563 1,567 1.734,568 1.918,569 3.708,570 -0.361,572 1,577 85.467,578 1.526,579 3.586,580 4.394,581 5.003,582 5.102,583 5.102,584 3.244,585 4.503,586 4.921,587 3.853,588 1791.62,589 8.585,590 25893.7,592 1,594 1,595 325.212,596 1.462,597 4.877,598 0.176,599 0.007,600 0.088,601 0.054,602 0.039,603 0.032,604 0.019,605 0.013,606 0.01,607 0.01,608 0.449,609 0.17,610 1,611 0.744,612 162.693,613 -0.021,614 -0.202,615 0.053,616 -0.061,617 0.018,618 -0.006,619 0.205,620 0.126,621 0.091,622 0.056,623 0.081,624 0.053,625 -0.024,626 -0.206,627 0.049,628 -0.103,629 0.045,630 -0.03,631 -0.115,632 -0.021,633 -0.135,634 -0.057,635 -0.098,636 -0.092,637 -0.123,638 -0.02,639 0.022,640 0.032,641 -0.119,642 0.045,643 -0.039,644 0.041,645 0.023,646 0.06,647 -0.003,648 0.051,649 0.059,650 0.036,651 -0.032,652 -0.024,653 0.122,654 -0.037,655 0.092,656 -0.074,657 -0.04,658 -0.086,659 0.015,660 -0.083,661 1.965,662 5.878,663 0.677,664 35.347,665 1,666 1.126,667 3.268,668 10.681,669 0.671,670 3.555,671 3.892,672 4.19,673 4.407,674 4.615,675 4.7,676 4.86,677 4.949,678 5.024,679 5.124,680 7.606,681 0.639,682 415.54,683 3.555,684 5.106,685 5.969,686 6.847,687 7.724,688 8.609,689 9.493,690 10.382,691 11.27,692 12.162,693 8.9,700 2,701 1,702 1,703 1,708 2,709 7,710 1,714 4,715 1,716 16,718 1,723 1,735 56,737 19,738 2,739 34,741 59,742 24,743 13,744 5,745 7,746 1,748 4,749 5,757 5,758 1,760 5,761 1,762 15,763 8,764 1,767 2,772 2,776 2,780 1,783 25,784 6,785 1,786 7,789 1,792 5,797 0.75,798 2,815 1,816 3,819 1,830 1,843 3,847 2,851 31,858 5,860 1,863 1,864 1,866 1,870 1,872 1,874 3.6,877 2,881 16.167,882 10.8,883 6.861,884 3.562,886 3.221,887 1.412,888 0.983,889 6.066,890 11.045,891 3.85,892 4.428,893 5.043,894 5.596,895 6.109,896 6.473,897 6.921,898 7.204,899 7.396,900 7.712,901 1,902 51,903 11.5,905 4.946,906 7.828,907 21.93,909 18.232,911 2.328,912 72.167,914 1,915 1,916 282.506,917 137.125,918 70.879,920 50.29,923 137.125,924 332.796,925 70.879,926 16.793,927 33.808,928 66.334,929 93.086,930 46.13,931 2.144,932 282.506,934 282.506,935 208.004,936 50.29,939 282.506,940 50.29,943 70.809,944 120.41,945 16.786,947 282.506,948 121.169,949 137.125,952 282.506,953 37.397,954 88.15,955 34.612,956 98.135,957 282.506,958 121.169,959 137.125,961 0.586,962 0.357,963 0.181,964 0.094,965 23,966 11,967 0.068,968 4,969 1,970 1.095,971 4.23,972 278.185,973 0.095,974 21,975 145.58,981 21.091,982 8.916,983 4.332,984 1.566,985 119.27,986 12.148,987 4.567,991 2.164,992 1.809,993 18.011,994 540.801,995 46,1000 25.46,1004 -0.142,1007 56,1008 63.062,1009 0.263,1010 0.617,1011 0.757,1012 0.862,1013 0.879,1014 0.879,1015 5.106,1016 1.662,1017 5.964,1018 5.113,1019 4.575,1020 5.115,1021 2.902,1022 6.79,1023 4.523,1024 6.323,1025 1.329,1026 7.542,1027 4.262,1028 4.205,1029 4.977,1030 1.668,1031 7.719,1032 4.115,1033 7.639,1034 1.187,1035 9.219,1036 3.45,1037 6.192,1038 7.332,1039 4.029,1040 10.822,1041 6.08,1042 8.99,1043 1,1044 10.954,1045 2.845,1046 6.648,1047 8.051,1048 3.13,1049 12.557,1050 6.49,1051 10.374,1052 1,1053 12.724,1054 2.275,1055 8.104,1056 9.885,1057 5.333,1058 15.18,1059 7.923,1060 11.781,1061 0.822,1062 14.518,1063 2.136,1064 8.925,1065 11.005,1066 4.539,1067 17.252,1068 8.693,1069 13.206,1070 0.48,1071 16.329,1072 2.043,1073 10.178,1074 12.637,1075 6.695,1076 19.708,1077 9.917,1078 3.209,1079 0.43,1080 18.153,1081 1.011,1082 11.167,1083 13.956,1084 5.912,1085 21.932,1086 10.854,1087 3.004,1088 10.838,1089 19.988,1090 0.739,1091 12.341,1092 15.509,1093 8.078,1094 24.325,1095 11.993,1096 2.811,1097 9.991,1098 21.83,1099 4.588,1100 13.408,1101 16.928,1102 7.263,1103 26.62,1104 13.008,1105 2.487,1106 8.671,1107 23.68,1108 3.8,1109 14.554,1110 18.452,1111 9.472,1112 28.991,1113 14.112,1114 2.369,1115 7.696,1116 25.535,1117 3.523,1118 15.659,1119 19.921,1120 8.602,1121 31.321,1122 15.164,1123 2.047,1124 6.832,1125 27.395,1126 3.195,1127 16.797,1128 21.436,1129 10.869,1130 33.686,1131 16.256,1132 1.735,1133 6.494,1134 29.26,1135 3.027,1136 17.92,1137 22.93,1138 9.936,1139 36.033,1140 17.327,1141 13054,1142 21082,1143 22.482,1144 37.551,1145 52.86,1146 55.867,1147 53.443,1148 51.2,1149 51.142,1150 66.75,1151 11.178,1152 148.791,1153 49.904,1154 5.637,1155 6.057,1156 6.51,1157 5.205,1158 5.209,1159 7.588,1160 4.069,1161 18.087,1162 5.045,1163 16.361,1164 1.555,1165 1.643,1166 1.572,1167 1.506,1168 1.504,1169 1.963,1170 0.329,1171 4.376,1172 1.468,1173 4.132,1174 4.176,1175 4.103,1176 4.002,1177 7.43,1178 4.021,1179 3.928,1180 3.952,1181 3.882,1182 3.868,1183 7.426,1184 3.868,1185 3.89,1186 3.941,1187 3.778,1188 3.77,1189 6.82,1190 3.762,1191 3.601,1192 3.665,1193 3.519,1194 3.393,1195 5.024,1196 3.421,1197 3.4,1198 3.439,1199 3.352,1200 3.202,1201 4.658,1202 3.232,1203 3.277,1204 3.334,1205 3.178,1206 3.101,1207 4.389,1208 3.111,1209 3.111,1210 3.206,1211 2.956,1212 2.941,1213 4.226,1214 2.91,1215 3.09,1216 3.186,1217 2.866,1218 2.885,1219 3.973,1220 2.87,1221 0.136,1222 0.119,1223 0.197,1224 0.122,1225 0.094,1226 4.637,1227 0.135,1228 4.057,1229 0.06,1230 6.708,1231 0.319,1232 4.155,1233 0.09,1234 3.209,1235 4.588,1236 2.035,1237 10.838,1238 3.045,1239 1.944,1240 1.912,1241 2.103,1242 2.07,1243 1.486,1244 2.075,1245 1.919,1246 1.897,1247 2.012,1248 2.012,1249 1.157,1250 2.016,1251 1.868,1252 1.821,1253 2.004,1254 1.992,1255 1.084,1256 2.001,1257 1.543,1258 1.474,1259 1.726,1260 1.807,1261 0.864,1262 1.783,1263 1.388,1264 1.33,1265 1.619,1266 1.638,1267 0.825,1268 1.63,1269 1.232,1270 1.193,1271 1.513,1272 1.46,1273 0.774,1274 1.444,1275 1.153,1276 1.064,1277 1.473,1278 1.376,1279 0.637,1280 1.429,1281 1.125,1282 1.039,1283 1.384,1284 1.361,1285 0.352,1286 1.402,1287 4.234,1289 5.565,1290 2.398,1291 7.093,1292 4.844,1293 8.7,1294 7.018,1295 10.349,1297 3.648,1303 5.364,1305 2.826,1308 0.098,1309 1.721,1312 8.901,1313 2.037,1314 35.805,1315 85.467,1316 200.812,1317 246.076,1318 280.192,1319 285.702,1320 285.702,1321 63.541,1322 7.823,1323 91.02,1324 91.02,1325 23,1326 12.691,1327 4.322,1328 3.7,1329 49.614,1330 142,1331 157,1332 0.171,1333 221.176,1334 385.16,1335 531.429,1336 28183,1338 21.957,1339 0.708,1340 0.573,1341 21.957,1342 17.76,1343 14.974,1344 0.44,1345 0.31,1346 10.406,1347 14.48,1348 10.123,1349 8.435,1350 14.974,1351 10.532,1352 13.37,1353 0.279,1354 0.168,1355 13.37,1356 8.043,1357 12.021,1358 0.185,1359 0.093,1360 12.021,1361 6.038,1362 9.383,1363 0.116,1364 0.051,1365 9.383,1366 4.129,1367 7.314,1368 0.073,1369 0.028,1370 7.314,1371 2.841,1372 0.273,1373 93.41,1374 0.211,1375 29.443,1376 0.458,1377 164,1378 466.384,1379 178.226,1380 458.155,1381 624.26,1382 426,1383 195,1384 461.09,1385 210.337,1386 469.983,1387 684.99,1388 441,1389 5.1}
{0 CHEMBL521851,1 1.78,2 12.029,3 2.892,4 8.361,5 136.875,6 8.286,7 0.5,8 4.265,9 4.373,10 4.076,11 3.821,12 5.256,13 3.78,14 4.867,15 5.038,16 4.41,17 4.247,18 6.005,19 4.193,20 5.085,21 5.279,22 4.431,23 4.39,24 6.061,25 4.298,26 5.148,27 5.363,28 4.399,29 4.418,30 6.122,31 4.302,32 5.146,33 5.383,34 4.367,35 4.396,36 6.121,37 4.26,38 4.99,39 5.187,40 4.34,41 4.365,42 5.882,43 4.246,44 4.978,45 5.161,46 4.376,47 4.342,48 5.958,49 4.235,50 5.064,51 5.284,52 4.373,53 4.333,54 5.977,55 4.213,56 0.138,57 1.053,58 14.833,59 6.041,60 15.843,61 7.068,62 0.636,63 1.735,64 30.612,65 10.283,66 59.844,67 12.197,68 0.71,69 2.06,70 43.941,71 13.352,72 54.192,73 16.27,74 0.565,75 2.113,76 43.593,77 15.122,78 65.169,79 19.016,80 0.887,81 2.089,82 50.078,83 15.742,84 77.777,85 19.215,86 0.447,87 1.937,88 41.98,89 13.99,90 27.589,91 16.735,92 0.442,93 1.876,94 33.878,95 12.865,96 37.968,97 15.547,98 0.531,99 1.975,100 41.626,101 13.47,102 38.358,103 17.095,104 11,105 59,106 0.282,107 0.603,108 0.751,109 0.82,110 0.82,111 0.82,112 3.589,113 1.076,114 -2.75,115 -2.76,116 -2.68,119 37.1,124 1,125 9,142 4,143 2,145 1,146 1,147 1,149 1,152 3,168 1,172 4,174 5,175 4,180 2,183 5,187 2,188 11,193 2,196 2,199 1,200 7,205 1,208 1,212 6,213 4,216 2,221 3,224 2,225 4,233 3,237 2,238 5,241 1,243 1,246 2,249 1,250 9,255 1,258 1,263 3,264 2,276 2196,277 23.797,278 23.797,279 23.797,280 23.797,281 23.797,282 21.272,283 24.599,284 13.813,285 24.654,286 19.826,287 19.826,288 19.826,289 19.826,290 19.826,291 15.807,292 35.664,293 6.611,294 21.261,295 4.175,296 2.151,297 1.222,298 0.786,299 0.786,300 0.786,301 4.307,306 1,307 945,308 3.536,311 149.966,312 393.118,315 276.737,319 1.86,320 36.69,323 0.75,324 0.5,325 0.83,326 0.7,327 0.5,328 0.67,329 1,330 0.71,331 76.5,332 421,333 4.743,334 4.375,335 7.111,336 4.248,337 3.314,338 4.618,339 0.916,340 11.657,341 3.106,342 4.67,343 3.345,344 6.793,345 4.196,346 3.252,347 4.51,348 0.86,349 11.247,350 3.077,351 4.507,352 3.098,353 6.634,354 4.021,355 3.06,356 4.443,357 0.8,358 10.64,359 2.899,360 3.901,361 3.011,362 5.868,363 3.587,364 2.67,365 3.382,366 0.4,367 8.287,368 2.444,369 3.774,370 2.748,371 5.747,372 3.41,373 2.479,374 3.119,375 0.172,376 7.774,377 2.313,378 3.551,379 2.465,380 5.474,381 3.318,382 2.379,383 2.698,385 7.244,386 2.223,387 3.225,388 2.312,389 4.957,390 2.884,391 1.954,392 2.386,394 5.727,395 1.801,396 3.048,397 2.213,398 4.707,399 2.651,400 1.743,401 2.321,403 4.829,404 1.572,405 3.018,406 1.945,407 4.616,408 2.537,409 1.561,410 2.161,412 4.645,413 1.529,414 2.947,415 1.551,416 4.538,417 2.472,418 1.546,419 2.082,421 4.412,422 1.419,423 2.69,424 1.547,425 4.056,426 2.374,427 1.442,428 1.679,430 3.568,431 1.331,432 2.5,433 1.477,434 3.766,435 2.101,436 1.241,437 1.5,439 2.961,440 1.055,441 2.399,442 1.256,443 3.427,444 1.97,445 1,446 1.386,448 2.275,449 0.968,450 2.032,451 1.146,452 3.414,453 1.967,454 1,455 1,457 2.232,458 0.965,459 2,460 1,461 3.392,462 1.952,463 1,464 1,466 2.136,467 0.946,468 16.967,469 0.485,470 0.976,471 0.028,472 44,473 1.257,474 19.5,475 0.557,476 24.5,477 0.7,478 34.932,479 0.998,480 38.233,481 0.617,482 33.767,483 0.965,484 8.183,485 0.234,486 8.77,487 0.251,488 0.069,489 0.049,490 0.306,496 0.656,497 1.477,498 0.755,499 1.185,500 0.629,501 0.973,502 1.053,503 1.012,504 0.947,505 0.842,506 0.575,507 0.802,508 1.163,509 1.101,510 1.174,511 1.089,512 1.061,513 1.003,514 0.92,515 1.152,516 0.95,517 1.029,518 1.121,519 1.043,520 0.851,521 0.783,522 1.102,523 0.917,524 1,525 0.877,526 0.692,527 1.119,528 1.277,529 1.286,530 0.436,531 1.098,532 0.851,533 1.154,534 0.862,535 1.011,536 0.806,537 1.151,538 0.802,539 1.125,540 0.976,541 1.099,542 0.545,543 1.068,544 7.5,545 0.196,546 4,547 2.444,548 1.501,549 1.421,550 0.837,551 0.587,552 0.369,553 0.297,554 18778,555 53154,556 2.184,557 43.5,559 25,561 1,562 1,567 1.771,568 2.069,569 3.527,570 -0.26,577 110.33,578 1.78,579 3.803,580 4.732,581 5.168,582 5.168,583 5.168,584 2.952,585 4.651,586 5.097,587 3.765,588 2240.01,589 8.972,590 34343.3,595 369.16,596 1.437,597 5.068,598 0.188,599 0.006,600 0.068,601 0.042,602 0.027,603 0.026,604 0.015,605 0.011,606 0.007,607 0.007,608 0.398,609 0.33,610 0.63,611 0.597,612 187.789,613 0.082,614 -0.254,615 0.182,616 -0.099,617 -0.092,618 -0.008,619 0.004,620 0.12,621 0.012,622 0.141,623 0.23,624 0.119,625 -0.165,626 -0.034,627 -0.133,628 -0.045,629 -0.105,630 -0.034,631 -0.075,632 -0.163,633 -0.018,634 -0.049,635 -0.092,636 -0.045,637 0.038,638 0.222,639 -0.015,640 0.135,641 -0.064,642 0.129,643 -0.035,644 -0.019,645 -0.161,646 -0.142,647 -0.028,648 -0.072,649 -0.046,650 -0.102,651 -0.032,652 -0.071,653 -0.091,654 -0.182,655 -0.029,656 -0.095,657 0.012,658 -0.092,659 0.01,660 -0.073,661 4.051,662 4.845,663 0.857,664 39.378,665 1.011,666 1.131,667 1.521,668 2.313,669 0.682,670 3.714,671 4.094,672 4.394,673 4.71,674 4.963,675 5.142,676 5.384,677 5.591,678 5.737,679 5.943,680 7.405,681 0.644,682 513.71,683 3.714,684 5.293,685 6.168,686 7.076,687 7.967,688 8.879,689 9.779,690 10.694,691 11.599,692 12.515,693 11.3,696 2,699 1,701 1,703 3,708 4,709 5,710 3,711 1,713 1,714 4,716 20,730 1,735 62,737 22,738 1,739 40,741 67,742 23,743 13,744 3,745 3,748 6,749 8,762 13,763 10,767 2,770 1,772 2,783 27,784 9,785 1,786 12,787 2,792 7,797 0.667,798 3,807 1,810 1,815 2,816 4,819 2,839 1,842 1,843 4,845 2,847 1,851 35,855 1,858 9,861 1,864 3,869 1,874 4.8,877 2,878 1,881 16.917,882 11.45,883 7.333,884 3.711,886 3.989,887 1.457,888 1.04,889 6.23,890 12.708,891 3.97,892 4.64,893 5.227,894 5.887,895 6.436,896 6.916,897 7.469,898 7.993,899 8.352,900 8.832,901 0.875,902 58,903 13.148,905 5.91,906 7.688,907 25.347,909 21.963,911 2.188,912 76.583,916 306.049,917 131.959,918 74.664,920 55.313,922 37.085,923 94.874,924 361.361,925 74.664,926 7.19,927 23.925,928 43.712,929 117.318,930 43.708,931 6.576,932 325.555,934 306.049,935 169.539,936 55.313,937 37.085,939 308.377,940 44.313,941 11,943 56.422,944 60.554,945 56.042,946 31.278,947 306.049,948 129.977,949 131.959,951 5.807,952 306.049,953 72.009,954 61.91,955 16.663,956 105.547,957 306.049,958 129.977,959 131.959,961 0.595,962 0.344,963 0.188,964 0.101,965 32,966 13,967 0.075,968 5,969 2,970 1.133,971 4.541,972 358.098,973 0.133,974 30,975 169.525,977 1,980 1,981 23.255,982 9.376,983 4.681,984 3.976,985 113.314,986 10.012,987 14.245,988 3.03,990 1.727,991 3.802,993 16.663,994 567.985,995 52,998 -3.135,1000 23.689,1007 62.683,1008 70.108,1009 0.299,1010 0.639,1011 0.795,1012 0.868,1013 0.868,1014 0.868,1015 5.247,1016 1.743,1017 6.188,1018 5.727,1019 4.779,1020 5.328,1021 1.661,1022 7.06,1023 4.645,1024 6.484,1025 1.561,1026 7.785,1027 4.829,1028 4.511,1029 5.421,1030 0.57,1031 8.184,1032 4.306,1033 7.838,1034 1.546,1035 9.491,1036 4.645,1037 6.466,1038 7.679,1039 1.271,1040 11.253,1041 6.211,1042 9.235,1043 1.442,1044 11.262,1045 4.412,1046 7.022,1047 8.616,1048 0.581,1049 13.186,1050 6.699,1051 10.668,1052 1.241,1053 13.076,1054 3.568,1055 8.474,1056 10.396,1057 1.026,1058 15.815,1059 8.101,1060 12.128,1061 1,1062 14.919,1063 2.961,1064 9.382,1065 11.673,1066 0.515,1067 18.05,1068 8.945,1069 13.606,1070 1,1071 16.782,1072 2.275,1073 10.651,1074 13.286,1075 0.841,1076 20.542,1077 10.162,1078 3.314,1079 1,1080 18.661,1081 2.232,1082 11.711,1083 14.701,1084 0.441,1085 22.894,1086 11.16,1087 3.252,1088 11.657,1089 20.551,1090 2.136,1091 12.914,1092 16.252,1093 0.689,1094 25.342,1095 12.308,1096 3.06,1097 11.247,1098 22.451,1099 4.618,1100 14.039,1101 17.723,1102 0.373,1103 27.74,1104 13.372,1105 2.67,1106 10.64,1107 24.358,1108 4.51,1109 15.221,1110 19.25,1111 0.564,1112 30.175,1113 14.497,1114 2.479,1115 8.287,1116 26.27,1117 4.443,1118 16.375,1119 20.745,1120 0.314,1121 32.593,1122 15.591,1123 2.379,1124 7.774,1125 28.188,1126 3.382,1127 17.552,1128 22.264,1129 0.461,1130 35.025,1131 16.709,1132 1.954,1133 7.244,1134 30.109,1135 3.119,1136 18.719,1137 23.769,1138 0.264,1139 37.452,1140 17.816,1141 17221,1142 29135,1143 27.334,1144 42.313,1145 61.554,1146 62.698,1147 61.602,1148 61.525,1149 61.455,1150 79.593,1151 6.298,1152 185.247,1153 57.253,1154 5.743,1155 6.375,1156 6.913,1157 5.389,1158 5.314,1159 7.618,1160 1.776,1161 18.927,1162 5.106,1163 14.402,1164 1.539,1165 1.567,1166 1.54,1167 1.538,1168 1.536,1169 1.99,1170 0.157,1171 4.631,1172 1.431,1173 4.155,1174 4.188,1175 4.722,1176 4.094,1177 7.716,1178 4.073,1179 4.029,1180 4.052,1181 4.339,1182 3.96,1183 6.999,1184 3.935,1185 3.988,1186 3.989,1187 4.056,1188 3.949,1189 5.13,1190 3.828,1191 3.738,1192 3.786,1193 3.665,1194 3.538,1195 4.975,1196 3.545,1197 3.643,1198 3.676,1199 3.591,1200 3.47,1201 4.612,1202 3.45,1203 3.393,1204 3.454,1205 3.417,1206 3.217,1207 4.427,1208 3.229,1209 3.264,1210 3.323,1211 3.2,1212 3.119,1213 4.336,1214 3.118,1215 3.111,1216 3.206,1217 2.949,1218 2.941,1219 4.194,1220 2.91,1221 0.119,1222 0.109,1223 0.178,1224 0.106,1225 0.083,1226 4.743,1227 0.115,1228 4.375,1229 0.023,1230 7.111,1231 0.291,1232 4.248,1233 0.078,1234 3.314,1235 4.618,1236 0.916,1237 11.657,1238 3.106,1239 1.975,1240 1.952,1241 2.038,1242 2.077,1243 1.334,1244 2.069,1245 1.854,1246 1.844,1247 1.971,1248 2.04,1249 1.224,1250 2.064,1251 1.791,1252 1.757,1253 1.928,1254 1.964,1255 1.168,1256 1.959,1257 1.63,1258 1.612,1259 1.733,1260 1.8,1261 0.989,1262 1.82,1263 1.576,1264 1.54,1265 1.603,1266 1.746,1267 0.869,1268 1.765,1269 1.402,1270 1.38,1271 1.524,1272 1.619,1273 0.832,1274 1.582,1275 1.307,1276 1.232,1277 1.513,1278 1.508,1279 0.825,1280 1.554,1281 1.153,1282 1.064,1283 1.513,1284 1.376,1285 0.825,1286 1.429,1287 4.394,1289 5.759,1290 3.045,1291 7.311,1292 5.352,1293 8.948,1294 7.424,1295 10.631,1297 1.28,1303 6.219,1306 5.586,1309 6.151,1314 39.936,1315 110.33,1316 235.802,1317 293.386,1318 320.405,1319 320.405,1320 320.405,1321 57.378,1322 8.719,1323 107.55,1324 144.17,1325 34,1326 13.028,1327 4.524,1328 3.7,1329 46.915,1330 156,1331 159,1332 0.147,1333 245.425,1334 407.97,1335 590.598,1336 77748,1338 23.993,1339 0.686,1340 0.603,1341 24.597,1342 21.108,1343 16.954,1344 0.424,1345 0.359,1346 11.704,1347 14.934,1348 11.235,1349 9.148,1350 18.256,1351 14.352,1352 16.324,1353 0.277,1354 0.205,1355 18.353,1356 12.092,1357 13.557,1358 0.169,1359 0.113,1360 15.101,1361 9.029,1362 11.866,1363 0.108,1364 0.061,1365 13.32,1366 6.737,1367 9.633,1368 0.068,1369 0.033,1370 10.894,1371 4.686,1372 0.23,1373 120.258,1374 0.191,1375 31.943,1376 0.409,1377 198,1378 581.131,1379 278.253,1380 594.77,1381 818.88,1382 556,1383 238,1384 570.047,1385 325.557,1386 621.57,1387 914.97,1388 583,1389 5}
{0 CHEMBL522892,1 1.644,2 11.483,3 1.782,4 3.174,5 110.583,6 7.85,7 0.485,8 4.047,9 4.179,10 3.661,11 3.564,12 5.18,13 3.569,14 4.589,15 4.768,16 4.07,17 3.99,18 5.696,19 3.982,20 4.85,21 5.047,22 4.167,23 4.158,24 5.955,25 4.124,26 4.961,27 5.19,28 4.158,29 4.149,30 6.204,31 4.082,32 4.929,33 5.188,34 3.955,35 4.015,36 6.03,37 3.953,38 4.683,39 4.915,40 3.899,41 3.876,42 5.946,43 3.823,44 4.553,45 4.765,46 3.733,47 3.765,48 5.709,49 3.722,50 4.466,51 4.715,52 3.529,53 3.669,54 5.461,55 3.571,56 0.083,57 0.886,58 9.549,59 4.013,60 10.718,61 5.212,62 0.281,63 1.433,64 18.687,65 6.802,66 20.524,67 9.196,68 0.356,69 1.774,70 25.624,71 9.239,72 34.54,73 12.309,74 0.681,75 1.867,76 31.032,77 11.103,78 85.154,79 15.394,80 0.638,81 1.665,82 33.013,83 9.809,84 82.244,85 13.475,86 0.542,87 1.369,88 23.953,89 7.844,90 79.087,91 11.245,92 0.377,93 1.246,94 19.966,95 6.256,96 44.302,97 8.334,98 0.342,99 1.077,100 19.425,101 6.969,102 30.263,103 9.759,104 17,105 49,106 0.274,107 0.65,108 0.766,109 0.845,110 0.851,111 0.851,112 3.409,113 0.868,114 -3.23,115 -3.22,116 -3.09,119 42,124 1,125 4,136 1,138 1,142 6,143 1,144 3,146 1,152 1,158 1,161 1,163 1,164 1,165 1,172 3,175 5,178 2,180 7,183 5,185 2,187 1,188 2,193 3,196 2,199 2,200 4,202 2,203 4,204 3,205 4,207 2,208 4,210 2,213 3,216 1,218 1,221 2,223 1,225 7,230 6,233 2,235 2,237 1,238 2,243 3,246 1,248 1,249 1,250 1,252 1,253 3,258 4,264 1,272 4,276 1256,277 19.602,278 19.602,279 19.602,280 19.602,281 19.602,282 17.385,283 24.416,284 11.161,285 20.029,286 16.271,287 16.271,288 16.271,289 16.271,290 16.271,291 12.814,292 38.408,293 5.297,294 16.992,295 4,296 1.741,297 1.045,298 0.575,299 0.535,300 0.535,301 4.117,305 1,306 1,307 743,308 2.449,311 55.207,312 299.019,315 103.645,316 121.954,319 1.812,320 34.854,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 63.5,332 333,333 4.69,334 3.682,335 6.995,336 4.293,337 3.315,338 4.499,339 1.058,340 11.831,341 3.24,342 4.463,343 3.195,344 6.446,345 3.999,346 3.039,347 4.229,348 0.8,349 10.011,350 2.917,351 4.083,352 3.178,353 6.242,354 3.746,355 2.798,356 3.582,357 0.8,358 9.293,359 2.663,360 3.877,361 2.928,362 5.995,363 3.545,364 2.576,365 3.213,367 8.506,368 2.476,369 3.438,370 2.619,371 5.245,372 3.198,373 2.272,374 2.657,376 6.296,377 2.104,378 3.362,379 2.456,380 5.046,381 3.062,382 2.103,383 2.443,385 6.089,386 2.009,387 3.138,388 2.337,389 4.921,390 2.728,391 1.774,392 2.342,394 5.143,395 1.682,396 3.102,397 1.867,398 4.76,399 2.649,400 1.676,401 2.278,403 4.751,404 1.612,405 3.005,406 1.568,407 4.467,408 2.487,409 1.526,410 2.207,412 4.417,413 1.464,414 2.699,415 1.502,416 4.256,417 2.341,418 1.38,419 1.738,421 3.83,422 1.321,423 2.593,424 1.272,425 3.808,426 2.151,427 1.179,428 1.604,430 2.795,431 1.14,432 2,433 1.146,434 3.414,435 1.967,436 1,437 1,439 2.275,440 0.965,441 1.897,442 0.818,443 3.213,444 1.38,445 0.433,446 0.624,448 1.12,449 0.409,450 1.465,451 0.457,452 3.162,453 1.051,454 0.076,455 0.094,457 0.213,458 0.073,459 1.178,460 0.275,461 2.854,462 0.878,463 -0.092,464 -0.11,466 -0.243,467 -0.087,468 13.519,469 0.466,470 0.836,471 0.029,472 38.25,473 1.319,474 18,475 0.621,476 20.25,477 0.698,478 23.671,479 0.816,480 30.881,481 0.618,482 30.221,483 1.042,484 7.694,485 0.265,486 6.314,487 0.218,488 0.112,490 0.429,494 1,496 0.761,497 1.227,498 0.733,499 1.004,500 0.603,501 0.876,502 0.78,503 1.051,504 0.767,505 0.88,506 0.511,507 0.817,508 0.982,509 1.14,510 0.96,511 1.062,512 0.839,513 1.01,514 0.611,515 0.966,516 0.877,517 1.122,518 0.682,519 1.081,520 1.312,521 0.92,522 1.016,523 0.822,524 1.372,525 0.845,526 0.677,527 0.932,528 0.807,529 0.966,530 0.623,531 0.921,532 1.293,533 1.065,534 1.203,535 1.03,536 1.22,537 1.073,538 0.62,539 0.818,540 0.918,541 0.979,542 0.604,543 1.009,544 6,545 0.157,546 3.778,547 2.854,548 2.049,549 1.487,550 0.535,551 0.575,552 0.277,553 0.221,554 11120,555 28665,556 2.15,557 42,559 17,562 4,567 1.719,568 2,569 3.45,570 1.663,571 1,572 1,577 82.206,578 1.644,579 3.902,580 4.599,581 5.069,582 5.109,583 5.109,584 2.935,585 4.72,586 4.828,587 3.607,588 1464.55,589 8.406,590 19174.4,592 1,594 1,595 282.193,596 1.44,597 4.786,598 0.182,599 0.008,600 0.077,601 0.055,602 0.043,603 0.037,604 0.014,605 0.018,606 0.011,607 0.009,608 0.453,609 0.33,610 0.88,611 0.562,612 146.101,613 -0.096,614 -0.139,615 0.038,616 0.001,617 -0.069,618 0.043,619 -0.023,620 -0.02,621 0.087,622 0.091,623 0.054,624 0.113,625 -0.106,626 -0.115,627 -0.058,628 -0.079,629 -0.032,630 -0.059,631 0.307,632 0.001,633 0.088,634 -0.136,635 0.247,636 -0.096,637 -0.166,638 0.035,639 0.03,640 0.131,641 -0.15,642 0.13,643 0.239,644 -0.01,645 0.168,646 0.011,647 0.297,648 0.064,649 -0.238,650 -0.055,651 -0.253,652 -0.098,653 -0.183,654 -0.158,655 0.117,656 0.063,657 0.046,658 0.016,659 0.046,660 0.01,661 2.147,662 6.324,663 0.862,664 26.894,665 1.01,666 1.137,667 1.995,668 3.981,669 0.67,670 3.526,671 3.912,672 4.248,673 4.575,674 4.828,675 4.997,676 5.142,677 5.333,678 5.489,679 5.62,680 6.538,681 0.649,682 392.48,683 3.526,684 5.106,685 5.994,686 6.907,687 7.808,688 8.726,689 9.633,690 10.554,691 11.465,692 12.388,693 12,694 1,696 1,699 1,700 1,701 1,703 1,708 2,709 6,710 1,711 1,714 5,716 16,730 1,734 1,735 50,737 18,738 2,739 33,741 54,742 21,743 13,744 6,745 6,746 3,748 5,749 7,762 16,763 5,767 2,772 1,776 3,780 1,781 1,783 21,784 7,785 4,786 8,789 1,792 6,797 0.6,798 1,815 1,816 4,819 1,820 1,829 1,834 1,835 1,836 1,839 1,843 3,847 1,849 1,851 29,852 1,858 4,860 1,864 2,873 1,874 2,877 1,881 14.5,882 9.243,883 6.139,884 2.932,886 3.689,887 1.442,888 1.063,889 4.391,890 12.036,891 3.784,892 4.44,893 5.082,894 5.729,895 6.287,896 6.742,897 7.2,898 7.687,899 8.056,900 8.444,901 0.875,902 52,903 10.802,905 4.855,906 7.833,907 20.45,909 17.485,911 2.333,912 67.667,916 200.109,917 108.76,918 90.728,920 25.145,921 14.96,923 108.76,924 225.254,925 105.688,926 8.396,927 59.331,928 56.857,929 51.72,930 46.184,931 17.104,932 200.109,934 200.109,935 199.488,936 40.105,939 215.069,940 25.145,943 83.713,944 96.233,945 19.542,947 215.069,948 115.873,949 108.76,952 200.109,953 43.506,954 71.502,955 34.796,956 89.788,957 200.109,958 130.833,959 108.76,961 0.599,962 0.361,963 0.201,964 0.108,965 27,966 12,967 0.037,968 2,969 2,970 1.16,971 4.005,972 275.871,973 0.16,974 25,975 136.881,981 18.311,982 6.954,983 3.117,984 1.536,985 114.047,986 10.484,987 4.596,988 3.155,991 1.505,993 67.693,994 439.701,995 43,1000 12.657,1004 -0.168,1007 50.52,1008 56.861,1009 0.291,1010 0.691,1011 0.815,1012 0.898,1013 0.905,1014 0.905,1015 5.063,1016 1.676,1017 6.009,1018 5.143,1019 4.595,1020 5.127,1021 1.641,1022 6.882,1023 4.513,1024 6.295,1025 1.526,1026 7.607,1027 4.751,1028 4.29,1029 5.056,1030 0.57,1031 7.883,1032 4.163,1033 7.631,1034 1.38,1035 9.304,1036 4.417,1037 6.252,1038 7.387,1039 1.488,1040 11.026,1041 6.098,1042 9.002,1043 1.179,1044 11.057,1045 3.83,1046 6.746,1047 8.139,1048 0.479,1049 12.854,1050 6.557,1051 10.406,1052 1,1053 12.847,1054 2.795,1055 8.203,1056 9.969,1057 1.47,1058 15.525,1059 7.989,1060 11.834,1061 0.433,1062 14.664,1063 2.275,1064 9.062,1065 11.106,1066 0.346,1067 17.7,1068 8.82,1069 13.28,1070 0.076,1071 16.5,1072 1.12,1073 10.328,1074 12.733,1075 1.501,1076 20.213,1077 10.062,1078 3.315,1079 -0.092,1080 18.351,1081 0.213,1082 11.355,1083 14.053,1084 0.237,1085 22.539,1086 11.065,1087 3.039,1088 11.831,1089 20.214,1090 -0.243,1091 12.551,1092 15.595,1093 1.556,1094 25.002,1095 12.238,1096 2.798,1097 10.011,1098 22.088,1099 4.499,1100 13.654,1101 17.001,1102 0.158,1103 27.396,1104 13.32,1105 2.576,1106 9.293,1107 23.969,1108 4.229,1109 14.827,1110 18.508,1111 1.626,1112 29.847,1113 14.472,1114 2.272,1115 8.506,1116 25.857,1117 3.582,1118 15.967,1119 19.955,1120 0.104,1121 32.273,1122 15.591,1123 2.103,1124 6.296,1125 27.751,1126 3.213,1127 17.137,1128 21.448,1129 1.706,1130 34.725,1131 16.739,1132 1.774,1133 6.089,1134 29.651,1135 2.657,1136 18.295,1137 22.915,1138 0.068,1139 37.169,1140 17.877,1141 10284,1142 16738,1143 22.194,1144 33.517,1145 51.138,1146 51.771,1147 52.791,1148 50.383,1149 50.292,1150 65.019,1151 5.317,1152 153.142,1153 48.149,1154 5.69,1155 5.682,1156 6.531,1157 5.36,1158 5.315,1159 7.499,1160 2.117,1161 19.431,1162 5.24,1163 13.884,1164 1.55,1165 1.569,1166 1.6,1167 1.527,1168 1.524,1169 1.97,1170 0.161,1171 4.641,1172 1.459,1173 4.142,1174 4.182,1175 4.114,1176 4.023,1177 8.201,1178 4.041,1179 3.966,1180 3.995,1181 3.933,1182 3.88,1183 7.429,1184 3.888,1185 3.807,1186 3.884,1187 3.701,1188 3.604,1189 5.118,1190 3.618,1191 3.546,1192 3.581,1193 3.49,1194 3.428,1195 4.989,1196 3.437,1197 3.311,1198 3.385,1199 3.229,1200 3.088,1201 4.603,1202 3.113,1203 3.132,1204 3.213,1205 3.042,1206 2.941,1207 4.447,1208 2.91,1209 3.111,1210 3.206,1211 2.899,1212 2.878,1213 4.228,1214 2.9,1215 3.081,1216 3.179,1217 2.866,1218 2.855,1219 3.915,1220 2.859,1221 0.142,1222 0.112,1223 0.212,1224 0.13,1225 0.1,1226 4.69,1227 0.136,1228 3.682,1229 0.032,1230 6.995,1231 0.359,1232 4.293,1233 0.098,1234 3.315,1235 4.499,1236 1.058,1237 11.831,1238 3.24,1239 1.959,1240 1.938,1241 2.047,1242 2.078,1243 1.307,1244 2.072,1245 1.938,1246 1.905,1247 2.02,1248 2.066,1249 1.151,1250 2.053,1251 1.716,1252 1.645,1253 1.909,1254 1.915,1255 1.081,1256 1.918,1257 1.568,1258 1.536,1259 1.657,1260 1.735,1261 0.825,1262 1.715,1263 1.206,1264 1.125,1265 1.539,1266 1.489,1267 0.724,1268 1.5,1269 1.153,1270 1.064,1271 1.513,1272 1.418,1273 0.641,1274 1.429,1275 1.131,1276 1.048,1277 1.321,1278 1.376,1279 0.343,1280 1.402,1281 0.997,1282 0.934,1283 1.209,1284 1.35,1285 0.235,1286 1.315,1287 4.205,1289 5.572,1290 2.398,1291 7.14,1292 4.727,1293 8.801,1294 6.843,1295 10.511,1297 2.12,1299 14.324,1301 6.201,1303 3.933,1305 2.702,1309 4.621,1314 32.441,1315 82.206,1316 195.12,1317 229.928,1318 253.438,1319 255.438,1320 255.438,1321 52.812,1322 8.346,1323 94.04,1324 94.04,1325 29,1326 12.897,1327 4.248,1328 3.459,1329 39.68,1330 114,1331 129,1332 0.172,1333 194.856,1334 334.46,1335 467.209,1336 51388,1337 2,1338 20.121,1339 0.694,1340 0.552,1341 19.25,1342 15.998,1343 14.008,1344 0.424,1345 0.289,1346 9.385,1347 13.4,1348 9.199,1349 7.556,1350 13.597,1351 9.547,1352 13.24,1353 0.27,1354 0.153,1355 12.703,1356 7.482,1357 11.645,1358 0.169,1359 0.081,1360 11.245,1361 5.599,1362 10.413,1363 0.108,1364 0.041,1365 9.889,1366 3.943,1367 8.199,1368 0.066,1369 0.022,1370 8.059,1371 2.758,1372 0.269,1373 88.277,1374 0.212,1375 27.297,1376 0.478,1377 164,1378 498.76,1379 181.452,1380 462.218,1381 636.03,1382 432,1383 200,1384 477.716,1385 218.558,1386 479.455,1387 712.37,1388 452,1389 6.51}
{0 CHEMBL523823,1 1.895,2 6.211,3 2.756,4 7.597,5 67.908,6 10.024,7 0.524,8 3.522,9 3.586,10 3.307,11 3.037,12 4.856,13 3.079,14 3.989,15 4.092,16 3.75,17 3.442,18 5.324,19 3.478,20 4.22,21 4.338,22 3.932,23 3.563,24 5.65,25 3.606,26 4.277,27 4.383,28 3.869,29 3.56,30 5.818,31 3.582,32 4.233,33 4.377,34 3.678,35 3.451,36 5.637,37 3.43,38 4.149,39 4.301,40 3.499,41 3.144,42 5.585,43 3.12,44 3.696,45 3.858,46 2.902,47 2.457,48 5.347,49 2.417,50 2.917,51 3.173,52 1.777,53 1.497,54 4.274,55 1.399,56 0.241,57 0.397,58 2.98,59 2.358,60 24.199,61 2.026,62 0.402,63 0.639,64 6.489,65 3.874,66 35.228,67 3.864,68 0.602,69 0.747,70 11.819,71 4.843,72 57.89,73 4.628,74 0.727,75 0.758,76 11.518,77 5.112,78 78.499,79 4.881,80 0.651,81 0.695,82 10.654,83 5.318,84 76.605,85 5.303,86 0.799,87 0.519,88 16.388,89 5.083,90 87.782,91 4.447,92 0.738,93 0.267,94 14.853,95 3.324,96 93.776,97 3.01,98 0.331,99 0.125,100 7.171,101 1.467,102 41.966,103 1.489,104 27,105 32,106 0.365,107 0.778,108 0.852,109 0.88,110 0.88,111 0.88,112 3.014,113 0.851,114 -3.5,115 -3.47,116 -3.32,119 42.9,120 1,125 1,142 2,143 2,144 3,147 1,153 1,157 1,166 1,172 1,174 1,175 8,178 1,180 2,183 3,187 1,188 2,191 1,193 3,196 3,199 3,200 6,203 2,205 1,208 5,213 4,216 2,218 2,221 1,225 3,230 2,233 2,238 1,241 2,242 1,243 1,255 1,276 294,277 12.577,278 12.577,279 12.577,280 12.577,281 12.577,282 11.094,283 17.229,284 6.944,285 12.898,286 10.228,287 10.228,288 10.228,289 10.228,290 10.228,291 7.896,292 26.084,293 3.142,294 10.799,295 2.912,296 0.772,297 0.384,298 0.241,299 0.241,300 0.241,301 3.681,302 1,305 1,306 1,307 251,308 2.345,311 30.046,312 66.913,315 52.217,316 57.278,319 0.875,320 32.107,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 43.333,332 118,333 4.701,334 3.753,335 7.108,336 4.365,337 3.39,338 4.37,339 0.8,340 12.302,341 3.313,342 4.239,343 3.204,344 6.336,345 3.788,346 2.84,347 3.923,349 9.496,350 2.689,351 3.748,352 3.06,353 6.024,354 3.423,355 2.483,356 3.143,358 8.343,359 2.342,360 3.656,361 2.739,362 5.758,363 3.303,364 2.348,365 2.855,367 7.467,368 2.165,369 3.036,370 2.08,371 4.87,372 2.62,373 1.663,374 2.206,376 4.926,377 1.581,378 2.824,379 1.924,380 4.334,381 2.345,382 1.405,383 1.925,385 3.864,386 1.274,387 2.412,388 1.421,389 4.019,390 2.065,391 1.121,392 1.386,394 2.76,395 1.051,396 2.15,397 1.036,398 3.654,399 1.702,400 0.71,401 0.944,403 1.654,404 0.684,405 1.533,406 0.865,407 3.014,408 1.163,409 0.227,410 0.285,412 0.524,413 0.194,414 1.068,415 0.291,416 2.656,417 0.835,418 -0.08,419 -0.089,421 -0.142,422 -0.069,423 0.799,424 -0.069,425 2.491,426 0.341,427 -0.584,428 -0.698,430 -1.396,431 -0.477,432 0.572,433 -0.347,434 2.113,435 0.262,436 -0.668,437 -0.847,439 -1.743,440 -0.604,441 0.185,442 -0.612,443 2,444 -0.174,445 -1.071,446 -1.287,448 -2.823,449 -0.913,450 0.051,451 -0.951,452 2,453 -0.322,454 -1.291,455 -1.573,457 -3.424,458 -1.164,459 -0.171,460 -1.112,461 1.488,462 -0.566,463 -1.404,464 -1.744,466 -4.042,467 -1.271,468 8.848,469 0.466,470 0.631,471 0.033,472 26,473 1.368,474 13,475 0.684,476 13,477 0.684,478 13.392,479 0.705,480 20.552,481 0.734,482 18.391,483 0.968,484 5.133,485 0.27,486 3.908,487 0.206,488 0.25,490 0.497,496 0.833,497 1.142,498 0.543,499 0.804,500 0.817,501 0.727,502 0.631,503 1.116,504 0.5,505 0.801,506 0.548,507 0.69,508 0.852,509 1.061,510 0.75,511 0.875,512 0.807,513 0.741,514 0.779,515 1.098,516 0.966,517 1.132,518 0.891,519 1.121,520 0.906,521 1.127,522 0.88,523 1.103,524 0.854,525 1.195,526 1.48,527 1.035,528 1.46,529 1.257,530 1.347,531 1.307,532 1.545,533 0.618,534 1.895,535 1.095,536 1.874,537 1.221,538 1.561,539 0.244,540 1.127,541 0.49,542 1.604,543 0.769,544 4,546 3.111,547 2,548 2.116,549 0.962,550 0.41,551 0.141,554 2594,555 10871,556 2.019,557 32.1,559 4,562 2,564 3,567 1.614,568 1.81,569 2.651,570 0.497,572 1,574 1,577 53.057,578 1.895,579 4.036,580 4.423,581 4.566,582 4.566,583 4.566,584 2.089,585 3.511,586 4.223,587 2.713,588 463.884,589 7.247,590 4370.18,592 1,593 1,594 1,595 134.606,596 1.524,597 4.135,598 0.19,600 0.097,601 0.056,602 0.064,603 0.038,604 0.026,605 0.02,608 0.492,609 0.67,610 1,611 0.954,612 78.535,613 -0.095,614 -0.018,615 -0.021,616 0.088,617 -0.143,618 0.063,619 0.063,620 -0.001,621 0.142,622 0.102,623 0.062,624 0.178,625 -0.02,626 0.004,627 0.09,628 0.05,629 0.019,630 0.153,631 0.117,632 -0.055,633 -0.149,634 -0.214,635 0.07,636 -0.251,637 -0.032,638 -0.161,639 -0.041,640 -0.156,641 0.014,642 -0.215,643 -0.288,644 -0.216,645 -0.187,646 -0.23,647 -0.198,648 -0.267,649 -0.022,650 0.074,651 -0.27,653 -0.184,654 -0.111,655 -0.174,656 0.437,657 0.268,658 0.563,659 -0.202,660 0.529,661 2.196,662 5.274,663 0.684,664 9.873,665 1.049,666 1.123,667 2.268,668 5.143,669 0.705,670 3.091,671 3.497,672 3.871,673 4.205,674 4.477,675 4.625,676 4.7,677 4.754,678 4.7,679 4.431,680 3.906,681 0.708,682 280.68,683 3.091,684 4.673,685 5.58,686 6.512,687 7.44,688 8.377,689 9.31,690 10.248,691 11.184,692 12.123,693 7.1,701 1,703 1,709 2,710 1,712 1,714 7,716 11,721 1,730 1,732 2,734 1,735 28,737 12,738 1,739 21,741 30,742 12,743 9,744 4,745 2,746 1,748 3,749 6,750 1,754 1,762 10,763 2,767 1,772 1,776 1,780 1,783 9,784 6,785 2,786 7,787 1,791 1,792 2,797 0.333,798 4,815 1,816 2,819 1,820 1,843 1,847 1,848 1,851 19,857 2,858 1,864 1,873 1,874 14.3,876 2,877 1,879 1,881 10.5,882 5.443,883 4.139,884 1.711,886 2.292,887 1.335,888 0.933,889 2.777,890 9.128,891 3.35,892 4.021,893 4.679,894 5.294,895 5.781,896 6.141,897 6.478,898 6.821,899 7.112,900 7.198,901 1,902 36,903 7.022,905 3.188,906 8.26,907 12.641,909 10.518,911 2.76,912 52.444,916 82.398,917 51.199,918 22.721,919 39.149,920 120.246,923 51.199,924 241.792,925 22.721,926 8.825,927 2.106,928 18.952,929 135.242,930 26.712,931 2.328,932 82.398,933 39.149,934 82.398,935 73.919,936 120.246,937 39.149,939 47.084,940 155.559,943 15.28,944 39.042,945 58.745,947 82.398,948 142.967,949 90.347,952 82.398,953 23.421,954 30.902,956 178.991,957 82.398,958 142.967,959 90.347,961 0.602,962 0.387,963 0.217,964 0.123,965 18,966 9,967 0.033,968 1,969 2,970 1.308,971 2.901,972 154.141,973 0.308,974 13,975 80.711,981 12.474,982 4.23,983 1.661,985 142.967,986 2.764,987 3.684,989 4.659,991 0.435,993 85.367,994 315.712,995 27.5,1000 12.274,1004 -0.458,1007 29.371,1008 31.439,1009 0.394,1010 0.839,1011 0.92,1012 0.95,1013 0.95,1014 0.95,1015 4.632,1016 0.71,1017 5.624,1018 2.76,1019 4.174,1020 4.705,1021 0.673,1022 6.555,1023 4.079,1024 5.889,1025 0.227,1026 7.268,1027 1.654,1028 4.007,1029 4.732,1030 0.325,1031 7.678,1032 3.847,1033 7.245,1034 -0.08,1035 9.009,1036 0.524,1037 5.889,1038 6.978,1039 0.379,1040 10.847,1041 5.728,1042 8.637,1043 -0.584,1044 10.803,1045 -0.142,1046 6.509,1047 7.795,1048 0.268,1049 12.76,1050 6.302,1051 10.059,1052 -0.668,1053 12.631,1054 -1.396,1055 7.92,1056 9.552,1057 0.239,1058 15.479,1059 7.708,1060 11.503,1061 -1.071,1062 14.482,1063 -1.743,1064 8.874,1065 10.713,1066 0.188,1067 17.725,1068 8.632,1069 12.964,1070 -1.291,1071 16.35,1072 -2.823,1073 10.131,1074 12.287,1075 0.156,1076 20.297,1077 9.878,1078 3.39,1079 -1.404,1080 18.23,1081 -3.424,1082 11.227,1083 13.605,1084 0.125,1085 22.689,1086 10.954,1087 2.84,1088 12.302,1089 20.121,1090 -4.042,1091 12.439,1092 15.107,1093 0.102,1094 25.213,1095 12.152,1096 2.483,1097 9.496,1098 22.021,1099 4.37,1100 13.597,1101 16.498,1102 0.082,1103 27.669,1104 13.292,1105 2.348,1106 8.343,1107 23.929,1108 3.923,1109 14.8,1110 17.972,1111 0.066,1112 30.18,1113 14.479,1114 1.663,1115 7.467,1116 25.843,1117 3.143,1118 15.987,1119 19.398,1120 0.054,1121 32.664,1122 15.648,1123 1.405,1124 4.926,1125 27.762,1126 2.855,1127 17.191,1128 20.863,1129 0.043,1130 35.171,1131 16.835,1132 1.121,1133 3.864,1134 29.687,1135 2.206,1136 18.392,1137 22.307,1138 0.035,1139 37.668,1140 18.017,1141 2644,1142 5506,1143 13.353,1144 19.733,1145 33.026,1146 34.267,1147 35.444,1148 32.576,1149 32.374,1150 42.074,1151 1.6,1152 102.672,1153 30.584,1154 5.571,1155 5.753,1156 6.612,1157 5.414,1158 5.39,1159 7.37,1160 1.2,1161 20.302,1162 5.313,1163 11.135,1164 1.573,1165 1.632,1166 1.688,1167 1.551,1168 1.542,1169 2.004,1170 0.076,1171 4.889,1172 1.456,1173 4.062,1174 4.076,1175 4.095,1176 3.951,1177 7.427,1178 3.967,1179 3.733,1180 3.735,1181 3.839,1182 3.571,1183 6.483,1184 3.602,1185 3.462,1186 3.538,1187 3.37,1188 3.268,1189 6.47,1190 3.259,1191 3.125,1192 3.103,1193 3.277,1194 2.912,1195 5.083,1196 2.943,1197 2.947,1198 2.995,1199 2.887,1200 2.742,1201 4.822,1202 2.756,1203 2.68,1204 2.731,1205 2.806,1206 2.393,1207 4.298,1208 2.426,1209 2.522,1210 2.54,1211 2.506,1212 2.185,1213 4.005,1214 2.243,1215 2.386,1216 2.472,1217 2.207,1218 1.972,1219 3.552,1220 1.971,1221 0.224,1222 0.179,1223 0.338,1224 0.208,1225 0.161,1226 4.701,1227 0.208,1228 3.753,1229 0.038,1230 7.108,1231 0.586,1232 4.365,1233 0.158,1234 3.39,1235 4.37,1236 0.8,1237 12.302,1238 3.313,1239 1.945,1240 1.932,1241 1.994,1242 2.047,1243 1.186,1244 2.034,1245 1.525,1246 1.487,1247 1.781,1248 1.718,1249 0.941,1250 1.74,1251 1.403,1252 1.368,1253 1.464,1254 1.606,1255 0.602,1256 1.55,1257 1.027,1258 1.008,1259 1.17,1260 1.45,1261 0.226,1262 1.361,1263 0.895,1264 0.869,1265 1.054,1266 1.119,1267 0.102,1268 1.112,1269 0.722,1270 0.712,1271 0.93,1272 1.021,1274 0.955,1275 0.485,1276 0.406,1277 0.799,1278 0.825,1280 0.868,1281 0.239,1282 0.176,1283 0.561,1284 0.697,1286 0.661,1287 3.761,1289 5.142,1290 2.398,1291 6.735,1292 4.727,1293 8.433,1294 6.843,1295 10.19,1297 1.857,1298 5.867,1302 19.18,1303 0.5,1309 1.681,1314 19.837,1315 53.057,1316 112.996,1317 123.851,1318 127.851,1319 127.851,1320 127.851,1321 39.756,1322 6.836,1323 88.49,1324 88.49,1325 17,1326 12.619,1327 3.7,1328 2.907,1329 27.448,1330 48,1331 35,1332 0.327,1333 124.04,1334 213.81,1335 294.419,1336 6696,1337 3.6,1338 13.732,1339 0.723,1340 0.558,1341 14.232,1342 10.601,1343 9.041,1344 0.431,1345 0.284,1346 5.496,1347 8.27,1348 5.371,1349 4.404,1350 9.33,1351 5.954,1352 8.481,1353 0.265,1354 0.14,1355 8.852,1356 4.488,1357 7.77,1358 0.165,1359 0.071,1360 8.172,1361 3.358,1362 6.648,1363 0.101,1364 0.035,1365 6.852,1366 2.34,1367 5.471,1368 0.063,1369 0.019,1370 5.725,1371 1.639,1372 0.47,1373 61.053,1374 0.274,1375 17.961,1376 1.046,1377 106,1378 397.264,1379 136.118,1380 403.983,1381 535.59,1382 372,1383 132,1384 380.104,1385 160.097,1386 384.966,1387 572.69,1388 362,1389 6.4}
{0 CHEMBL52387,1 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 6,238 9,241 1,242 1,243 3,250 6,253 1,255 2,258 5,264 2,269 4,272 9,276 1070,277 17.74,278 17.74,279 17.74,280 17.74,281 17.74,282 15.891,283 24.833,284 10.529,285 18.162,286 13.704,287 13.704,288 13.704,289 13.704,290 13.704,291 10.846,292 38.665,293 4.846,294 14.447,295 4.201,296 2.156,297 1.133,298 0.75,299 0.697,300 0.697,301 3.986,304 1,305 1,306 1,307 513,308 3.742,311 59.154,312 151.285,315 107.706,319 1.462,320 20.389,322 1,323 1,324 1,325 1,326 1,327 0.5,328 1,329 1,330 0.93,331 56,332 246,333 4.656,334 3.293,335 6.805,336 4.159,337 3.226,338 4.614,339 0.657,340 11.227,341 3.01,342 3.93,343 2.838,344 5.977,345 3.583,346 2.649,347 3.451,348 0.4,349 8.354,350 2.519,351 3.863,352 2.769,353 5.526,354 3.513,355 2.542,356 3.308,358 7.443,359 2.438,360 3.663,361 2.587,362 5.342,363 3.398,364 2.436,365 2.987,367 6.952,368 2.327,369 3.239,370 2.136,371 4.978,372 2.952,373 2.021,374 2.306,376 5.785,377 1.874,378 3.071,379 1.937,380 4.958,381 2.77,382 1.826,383 2.2,385 5.252,386 1.72,387 2.908,388 1.584,389 3.925,390 2.48,391 1.49,392 2.069,394 3.199,395 1.474,396 2.568,397 1.191,398 3.675,399 2.039,400 1.129,401 1.595,403 2.828,404 1.027,405 2.5,406 1.075,407 3.61,408 2,409 1,410 1.5,412 2.389,413 1,414 2.196,415 1.003,416 3.247,417 1.865,418 0.926,419 1.132,421 2.136,422 0.867,423 1.759,424 1,425 3.088,426 1.556,427 0.618,428 0.618,430 1.222,431 0.572,432 1.618,433 0.651,434 2.914,435 1.432,436 0.505,437 0.612,439 0.791,440 0.467,441 1.33,442 0.4,443 2.627,444 1.103,445 0.202,446 0.22,448 0.358,449 0.181,450 1,451 -0.155,452 2.618,453 0.611,454 -0.325,455 -0.41,457 -0.788,458 -0.302,459 0.735,460 -0.299,461 2.244,462 0.409,463 -0.52,464 -0.598,466 -1.136,467 -0.481,468 12.233,469 0.471,470 0.554,471 0.021,472 32.5,473 1.25,474 15,475 0.577,476 17.5,477 0.673,478 22.94,479 0.882,480 29.167,481 0.561,482 23.064,483 0.887,484 6.142,485 0.236,486 6.476,487 0.249,488 0.15,490 0.319,496 1.034,497 1.604,498 0.904,499 1.231,500 1.021,501 1.076,502 0.853,503 1.101,504 0.894,505 1.024,506 0.841,507 0.977,508 0.899,509 1.143,510 0.911,511 0.992,512 0.748,513 0.953,514 1.067,515 1.092,516 0.957,517 0.986,518 1.088,519 0.96,520 1.466,521 0.9,522 1.103,523 0.74,524 1.294,525 0.837,526 1.376,527 1.269,528 1.148,529 1.026,530 0.944,531 1.028,532 1.361,533 1.058,534 1.239,535 0.969,536 0.953,537 1.046,538 1.059,539 1.038,540 1.16,541 1.136,542 0.941,543 1.154,544 5,545 0.074,546 2.444,547 1.66,548 1.286,549 0.854,550 0.678,551 0.478,552 0.38,553 0.136,554 7233,555 16884,556 2.037,557 50,558 3,559 11,561 1,562 3,564 8,567 1.698,568 1.902,569 3.228,570 0.974,571 1,572 1,577 77.991,578 1.5,579 3.544,580 4.568,581 4.95,582 5.003,583 5.003,584 2.676,585 4.085,586 4.667,587 3.393,588 1102.79,589 8.128,590 13859,592 1,594 1,595 296.423,596 1.42,597 4.628,598 0.179,599 0.005,600 0.064,601 0.043,602 0.035,603 0.025,604 0.019,605 0.013,606 0.012,607 0.006,608 0.401,609 0.17,610 1,611 1.317,612 126.185,613 -0.083,614 -0.298,615 0.043,616 -0.081,617 -0.128,618 -0.016,619 0.174,620 0.066,621 0.084,622 0.01,623 0.037,624 0.021,625 0.098,626 -0.076,627 0.075,628 -0.017,629 0.07,630 0.018,631 0.056,632 -0.071,633 0.047,634 -0.045,635 -0.034,636 -0.012,637 -0.137,638 0.139,639 -0.066,640 0.129,641 -0.089,642 0.058,643 -0.259,644 -0.097,645 -0.149,646 -0.071,647 -0.113,648 -0.084,649 -0.181,650 0.099,651 -0.233,652 -0.025,653 -0.065,654 -0.111,655 -0.101,656 -0.015,657 -0.191,658 -0.129,659 0.005,660 -0.161,661 1.464,662 3.474,663 0.577,664 24.935,665 0.996,666 1.141,667 3.488,668 12.167,669 0.637,670 3.367,671 3.664,672 3.932,673 4.19,674 4.394,675 4.522,676 4.673,677 4.82,678 4.828,679 4.787,680 5.937,681 0.598,682 354.51,683 3.367,684 4.89,685 5.733,686 6.605,687 7.473,688 8.357,689 9.237,690 10.129,691 11.017,692 11.915,693 11.5,698 2,701 1,703 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 6,797 0.667,798 1,799 1,810 1,815 1,816 2,819 1,841 1,843 2,847 3,851 26,857 1,858 3,860 2,863 2,874 1.9,875 1,881 13.667,882 9.917,883 5.944,884 3.294,886 2.998,887 1.418,888 0.936,889 6.069,890 10.168,891 3.611,892 4.201,893 4.813,894 5.43,895 5.949,896 6.273,897 6.662,898 7.062,899 7.196,900 7.407,901 1,902 39,903 9.596,905 3.941,906 7.635,907 18.531,909 14.826,911 2.135,912 55.5,915 1,916 270.735,917 98.388,918 88.277,920 42.683,923 98.388,924 313.419,925 88.277,926 26.476,927 4.64,928 90.065,929 108.483,930 7.229,931 4.227,932 258.964,934 270.735,935 186.665,936 42.683,939 176.567,940 94.169,941 42.683,943 47.392,944 52.895,945 86.378,947 270.735,948 130.961,949 98.388,952 270.735,953 15.912,954 84.375,955 36.022,956 93.04,957 270.735,958 130.961,959 98.388,961 0.568,962 0.337,963 0.179,964 0.095,965 17,966 8,967 0.148,968 8,969 1,970 1.133,971 3.729,972 214.862,973 0.133,974 15,975 116.211,981 18.617,982 8.475,983 4.34,984 1.526,985 129.061,986 11.954,987 13.75,991 2.351,992 2.024,993 78.705,994 500.084,995 36,1007 51.774,1008 59.351,1009 0.263,1010 0.622,1011 0.801,1012 0.868,1013 0.878,1014 0.878,1015 4.828,1016 1.129,1017 5.707,1018 3.199,1019 4.344,1020 4.887,1021 0.781,1022 6.509,1023 4.235,1024 6.021,1025 1,1026 7.259,1027 2.828,1028 3.892,1029 4.677,1031 7.416,1032 3.73,1033 7.321,1034 0.926,1035 8.913,1036 2.389,1037 5.922,1038 7.114,1039 0.354,1040 10.518,1041 5.695,1042 8.662,1043 0.618,1044 10.627,1045 2.136,1046 6.312,1047 7.805,1049 12.286,1050 6.017,1051 10.039,1052 0.505,1053 12.383,1054 1.222,1055 7.793,1056 9.7,1057 0.157,1058 14.919,1059 7.44,1060 11.444,1061 0.202,1062 14.167,1063 0.791,1064 8.577,1065 10.827,1067 17.057,1068 8.147,1069 12.872,1070 -0.325,1071 15.973,1072 0.358,1073 9.844,1074 12.501,1075 0.069,1076 19.542,1077 9.355,1078 3.226,1079 -0.52,1080 17.797,1081 -0.788,1082 10.822,1083 13.844,1085 21.84,1086 10.252,1087 2.649,1088 11.227,1089 19.635,1090 -1.136,1091 12.008,1092 15.427,1093 0.03,1094 24.277,1095 11.375,1096 2.542,1097 8.354,1098 21.485,1099 4.614,1100 13.08,1101 16.871,1103 26.644,1104 12.367,1105 2.436,1106 7.443,1107 23.346,1108 3.451,1109 14.241,1110 18.418,1111 0.013,1112 29.066,1113 13.461,1114 2.021,1115 6.952,1116 25.215,1117 3.308,1118 15.359,1119 19.909,1121 31.461,1122 14.501,1123 1.826,1124 5.785,1125 27.091,1126 2.987,1127 16.516,1128 21.443,1129 0.006,1130 33.879,1131 15.587,1132 1.49,1133 5.252,1134 28.973,1135 2.306,1136 17.657,1137 22.954,1139 36.287,1140 16.652,1141 7195,1142 11124,1143 18.493,1144 33.103,1145 41.172,1146 41.64,1147 42.947,1148 41.092,1149 41.139,1150 53.225,1151 2.115,1152 115.87,1153 38.951,1154 5.503,1155 5.293,1156 6.607,1157 5.24,1158 5.226,1159 7.614,1160 1.315,1161 18.537,1162 5.01,1163 13.218,1164 1.47,1165 1.487,1166 1.534,1167 1.468,1168 1.469,1169 1.901,1170 0.076,1171 4.138,1172 1.391,1173 4.109,1174 4.166,1175 4.087,1176 3.925,1177 6.456,1178 3.957,1179 3.901,1180 3.936,1181 3.827,1182 3.83,1183 5.145,1184 3.828,1185 3.724,1186 3.791,1187 3.6,1188 3.55,1189 4.754,1190 3.548,1191 3.573,1192 3.646,1193 3.44,1194 3.405,1195 4.57,1196 3.401,1197 3.295,1198 3.383,1199 3.143,1200 3.093,1201 4.246,1202 3.095,1203 3.236,1204 3.329,1205 3.093,1206 2.998,1207 4.099,1208 3.006,1209 3.138,1210 3.211,1211 2.94,1212 2.871,1213 4.078,1214 2.882,1215 2.874,1216 3.009,1217 2.717,1218 2.735,1219 3.748,1220 2.715,1221 0.166,1222 0.118,1223 0.243,1224 0.149,1225 0.115,1226 4.656,1227 0.165,1228 3.293,1229 0.023,1230 6.805,1231 0.401,1232 4.159,1233 0.108,1234 3.226,1235 4.614,1236 0.657,1237 11.227,1238 3.01,1239 1.918,1240 1.885,1241 2.043,1242 2.062,1243 1.23,1244 2.043,1245 1.828,1246 1.779,1247 1.968,1248 1.983,1249 1.17,1250 1.989,1251 1.691,1252 1.625,1253 1.937,1254 1.9,1255 1.148,1256 1.913,1257 1.617,1258 1.555,1259 1.759,1260 1.814,1261 0.837,1262 1.812,1263 1.246,1264 1.166,1265 1.55,1266 1.508,1267 0.688,1268 1.526,1269 1.182,1270 1.1,1271 1.469,1272 1.461,1273 0.623,1274 1.472,1275 1.151,1276 1.067,1277 1.417,1278 1.413,1279 0.469,1280 1.412,1281 0.934,1282 0.821,1283 1.359,1284 1.239,1285 0.353,1286 1.308,1287 4.043,1289 5.342,1290 2.398,1291 6.838,1292 4.727,1293 8.427,1294 6.862,1295 10.069,1297 6.2,1302 9.474,1303 1.473,1305 6.588,1308 0.161,1314 31.111,1315 77.991,1316 184.307,1317 237.529,1318 257.403,1319 260.158,1320 260.158,1321 42.011,1322 7.169,1323 87.89,1324 87.89,1325 17,1326 12.441,1327 4.087,1328 3.17,1329 43.987,1330 90,1331 96,1332 0.238,1333 195.115,1334 323.79,1335 467.841,1336 11364,1338 18.518,1339 0.712,1340 0.595,1341 18.518,1342 15.476,1343 12.618,1344 0.451,1345 0.322,1346 8.887,1347 12.128,1348 8.601,1349 7.244,1350 12.618,1351 9.017,1352 10.91,1353 0.287,1354 0.173,1355 10.91,1356 6.585,1357 9.128,1358 0.183,1359 0.087,1360 9.128,1361 4.327,1362 7.521,1363 0.116,1364 0.042,1365 7.521,1366 2.723,1367 5.813,1368 0.073,1369 0.021,1370 5.813,1371 1.679,1372 0.365,1373 79.084,1374 0.233,1375 24.877,1376 0.678,1377 132,1378 351.396,1379 146.123,1380 343.576,1381 480.25,1382 324,1383 154,1384 363.797,1385 169.15,1386 368.515,1387 541.86,1388 347,1389 5.1}
{0 CHEMBL525191,1 1.571,2 9.36,3 2.407,4 5.796,5 95.753,6 7.777,7 0.607,8 3.887,9 3.997,10 3.491,11 3.444,12 5.086,13 3.433,14 4.376,15 4.534,16 3.818,17 3.851,18 5.433,19 3.817,20 4.601,21 4.805,22 3.851,23 3.954,24 5.622,25 3.889,26 4.61,27 4.801,28 3.855,29 3.935,30 5.719,31 3.874,32 4.636,33 4.853,34 3.777,35 3.9,36 5.678,37 3.828,38 4.539,39 4.74,40 3.71,41 3.879,42 5.524,43 3.791,44 4.612,45 4.842,46 3.659,47 3.849,48 5.599,49 3.744,50 4.589,51 4.841,52 3.498,53 3.676,54 5.628,55 3.571,56 0.128,57 0.648,58 8.273,59 3.802,60 17.434,61 4.705,62 0.141,63 1.043,64 14.684,65 6.079,66 19.042,67 7.92,68 0.259,69 1.235,70 20.378,71 7.795,72 29.015,73 10.613,74 0.239,75 1.236,76 20.176,77 7.747,78 35.055,79 10.37,80 0.304,81 1.234,82 22.102,83 7.93,84 38.06,85 10.684,86 0.178,87 1.135,88 18.979,89 7.899,90 23.238,91 10.631,92 0.158,93 1.179,94 21.549,95 8.453,96 27.666,97 11.768,98 0.338,99 1.09,100 22.914,101 7.773,102 45.313,103 10.679,104 10,105 39,106 0.271,107 0.641,108 0.81,109 0.864,110 0.872,111 0.872,112 3.268,113 0.882,114 -3.29,115 -3.28,116 -3.14,119 44.2,121 2,125 2,142 5,143 5,145 2,146 1,151 1,157 1,166 1,168 1,172 11,175 7,183 14,188 9,191 1,193 2,196 12,200 8,203 1,205 3,208 9,212 1,213 6,218 3,221 7,224 1,225 6,230 3,233 6,238 4,243 5,246 5,249 2,250 3,255 2,258 2,264 4,267 3,269 3,276 939,277 17.533,278 17.533,279 17.533,280 17.533,281 17.533,282 15.205,283 10.747,284 10.464,285 17.81,286 13.767,287 13.767,288 13.767,289 13.767,290 13.767,291 10.404,292 8.152,293 4.819,294 14.159,295 3.855,296 1.712,297 0.735,298 0.419,299 0.372,300 0.372,301 3.968,304 1,305 1,306 1,307 510,308 2.646,311 119.434,312 132.364,315 94.583,319 1.414,320 19.209,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 54,332 234,333 4.565,334 3.778,335 6.739,336 4.192,337 3.205,338 4.287,339 1.869,340 11.05,341 3.165,342 4.378,343 3.217,344 6.521,345 4.019,346 3.032,347 3.985,349 10.25,350 2.992,351 3.852,352 3.053,353 5.762,354 3.454,355 2.464,356 3.367,358 7.804,359 2.441,360 3.676,361 2.481,362 5.311,363 3.275,364 2.32,365 3.068,367 6.828,368 2.21,369 3.301,370 2.431,371 5.079,372 2.871,373 1.897,374 2.516,376 5.756,377 1.845,378 3.087,379 2.061,380 4.533,381 2.633,382 1.675,383 2.302,385 4.321,386 1.604,387 2.833,388 1.757,389 4.195,390 2.437,391 1.451,392 1.951,394 3.721,395 1.429,396 2.623,397 1.544,398 3.925,399 2.178,400 1.223,401 1.66,403 3.009,404 1.164,405 2.5,406 1.473,407 3.463,408 1.984,409 1,410 1.5,412 2.219,413 0.983,414 2.272,415 1.126,416 3.247,417 1.879,418 0.938,419 1.163,421 2.136,422 0.874,423 2.089,424 1,425 3.242,426 1.746,427 0.789,428 1.052,430 1.67,431 0.752,432 1.944,433 0.801,434 3.122,435 1.722,436 0.74,437 0.858,439 1.602,440 0.727,441 1.422,442 0.701,443 2.731,444 1.243,445 0.246,446 0.274,448 0.393,449 0.245,450 0.82,451 -0.045,452 2.558,453 0.474,454 -0.419,455 -0.458,457 -0.698,458 -0.37,459 0.744,460 -0.169,461 2.323,462 0.453,463 -0.53,464 -0.68,466 -1.344,467 -0.52,468 11.767,469 0.471,470 0.462,471 0.018,472 33.5,473 1.34,474 17.5,475 0.7,476 16,477 0.64,478 18.479,479 0.739,480 26.033,481 0.605,482 23.883,483 0.955,484 6.764,485 0.271,486 5.532,487 0.221,488 0.057,490 0.331,496 0.777,497 1.047,498 0.762,499 0.91,500 0.854,501 0.857,502 0.846,503 1.093,504 0.878,505 0.927,506 0.698,507 0.903,508 0.765,509 0.989,510 0.925,511 0.934,512 0.707,513 0.944,514 0.886,515 1.156,516 1.012,517 1.108,518 0.809,519 1.081,520 1.035,521 0.948,522 1.03,523 0.951,524 0.931,525 0.977,526 0.681,527 1.081,528 0.994,529 1.145,530 0.685,531 1.13,532 0.645,533 1.179,534 0.967,535 1.215,536 0.583,537 1.156,538 1.092,539 0.916,540 1.061,541 1.031,542 1.112,543 1.04,544 4,545 0.061,546 2.667,547 1.764,548 1.429,549 0.771,550 0.42,551 0.323,552 0.268,553 0.166,554 6854,555 19534,556 2.154,557 41.9,558 2,559 9,560 1,561 2,562 2,563 2,567 1.686,568 2.055,569 3.21,570 0.273,571 1,572 1,574 1,577 67.56,578 1.571,579 3.714,580 4.691,581 5.008,582 5.054,583 5.054,584 2.695,585 4.484,586 4.611,587 3.343,588 1002.81,589 8.007,590 11865.8,592 1,594 1,595 233.329,596 1.26,597 4.592,598 0.143,599 0.006,600 0.068,601 0.045,602 0.038,603 0.022,604 0.013,605 0.011,606 0.011,607 0.01,608 0.367,609 0.33,610 1,611 0.955,612 118.82,613 0.079,614 0.08,615 0.035,616 0.097,617 -0.018,618 0.054,619 -0.129,620 0.006,621 -0.038,622 0.064,623 -0.085,624 0.036,625 -0.03,626 0.043,627 -0.014,628 0.053,629 -0.055,630 0.03,631 -0.041,632 -0.125,633 -0.101,634 -0.128,635 -0.01,636 -0.125,637 -0.12,638 0.056,639 -0.072,640 0.02,641 -0.073,642 -0.009,643 -0.009,644 -0.094,645 -0.091,646 -0.128,647 -0.052,648 -0.127,649 0.029,650 -0.231,651 -0.019,652 -0.207,653 0.061,654 -0.134,655 -0.04,656 0.007,657 -0.023,658 -0.062,659 -0.029,660 -0.043,661 1.461,662 3.236,663 0.8,664 21.267,665 1.006,666 1.124,667 2.064,668 4.26,669 0.681,670 3.367,671 3.689,672 4.025,673 4.344,674 4.554,675 4.691,676 4.875,677 5.024,678 5.1,679 5.159,680 5.622,681 0.656,682 334.41,683 3.367,684 4.905,685 5.778,686 6.671,687 7.565,688 8.468,689 9.371,690 10.278,691 11.185,692 12.094,693 9.3,701 1,702 1,703 2,709 8,710 2,714 6,715 1,716 17,720 1,735 43,737 18,738 1,739 28,741 46,742 19,743 14,744 3,745 3,746 1,748 4,749 5,754 1,757 2,760 2,762 15,763 4,767 1,775 1,776 1,779 1,780 1,783 18,784 5,785 2,786 6,792 4,797 0.75,798 2,799 1,807 1,809 1,815 2,816 2,819 1,841 2,843 3,851 25,857 2,858 4,874 4.7,875 1,879 1,881 12.167,882 7.617,883 5.639,884 2.559,886 3.366,887 1.45,888 0.969,889 4.244,890 10.852,891 3.651,892 4.266,893 4.904,894 5.532,895 6.053,896 6.418,897 6.901,898 7.328,899 7.701,900 8.003,901 1,902 39,903 9.181,905 3.924,906 7.767,907 17.601,909 14.698,911 2.267,912 56.667,915 1,916 188.338,917 103.14,918 48.473,920 85.489,923 103.14,924 273.827,925 48.473,927 7.175,928 99.112,929 59.747,930 94.609,931 11.771,932 153.024,934 188.338,935 151.612,936 85.489,939 188.338,940 42.806,941 42.683,943 43.05,944 75.113,945 33.449,947 188.338,948 133.962,949 103.14,952 188.338,953 28.616,954 76.3,956 132.185,957 188.338,958 133.962,959 103.14,961 0.568,962 0.347,963 0.204,964 0.11,965 20,966 8,967 0.087,968 4,969 1,970 1.1,971 3.702,972 216.176,973 0.1,974 20,975 112.096,981 15.854,982 6.692,983 2.917,985 132.185,986 15.487,987 8.706,991 6.121,992 1.763,993 85.489,994 425.439,995 37.5,1003 3.39,1004 0.742,1007 43.247,1008 48.318,1009 0.29,1010 0.685,1011 0.865,1012 0.923,1013 0.931,1014 0.931,1015 4.877,1016 1.223,1017 5.753,1018 3.721,1019 4.369,1020 4.952,1021 2.077,1022 6.594,1023 4.323,1024 6.085,1025 1,1026 7.322,1027 3.009,1028 3.892,1029 4.677,1031 7.545,1032 3.843,1033 7.398,1034 0.938,1035 8.995,1036 2.219,1037 5.979,1038 7.162,1039 3.234,1040 10.686,1041 5.904,1042 8.752,1043 0.789,1044 10.731,1045 2.136,1046 6.399,1047 7.769,1049 12.499,1050 6.324,1051 10.141,1052 0.74,1053 12.509,1054 1.67,1055 7.904,1056 9.664,1057 4.456,1058 15.137,1059 7.807,1060 11.555,1061 0.246,1062 14.314,1063 1.602,1064 8.726,1065 10.683,1067 17.286,1068 8.627,1069 12.987,1070 -0.419,1071 16.139,1072 0.393,1073 10.005,1074 12.328,1075 5.698,1076 19.757,1077 9.889,1078 3.205,1079 -0.53,1080 17.978,1081 -0.698,1082 11.009,1083 13.553,1085 22.043,1086 10.886,1087 3.032,1088 11.05,1089 19.829,1090 -1.344,1091 12.201,1092 15.084,1093 6.946,1094 24.456,1095 12.064,1096 2.464,1097 10.25,1098 21.688,1099 4.287,1100 13.284,1101 16.413,1103 26.797,1104 13.138,1105 2.32,1106 7.804,1107 23.553,1108 3.985,1109 14.445,1110 17.892,1111 8.196,1112 29.19,1113 14.286,1114 1.897,1115 6.828,1116 25.425,1117 3.367,1118 15.564,1119 19.274,1121 31.556,1122 15.394,1123 1.675,1124 5.756,1125 27.3,1126 3.068,1127 16.714,1128 20.73,1129 9.447,1130 33.943,1131 16.531,1132 1.451,1133 4.321,1134 29.18,1135 2.516,1136 17.849,1137 22.14,1139 36.32,1140 17.654,1141 6548,1142 11139,1143 19.186,1144 29.262,1145 42.263,1146 44.605,1147 43.423,1148 42.01,1149 41.958,1150 55.967,1151 3.737,1152 121.513,1153 40.86,1154 5.395,1155 5.778,1156 6.541,1157 5.227,1158 5.205,1159 7.287,1160 3.737,1161 18.255,1162 5.165,1163 9.347,1164 1.509,1165 1.593,1166 1.551,1167 1.5,1168 1.499,1169 1.999,1170 0.133,1171 4.34,1172 1.459,1173 4.096,1174 4.131,1175 4.058,1176 4.02,1177 6.543,1178 4.023,1179 3.924,1180 3.963,1181 3.874,1182 3.821,1183 6.456,1184 3.829,1185 3.738,1186 3.796,1187 3.67,1188 3.574,1189 5.001,1190 3.591,1191 3.471,1192 3.521,1193 3.361,1194 3.315,1195 4.811,1196 3.316,1197 3.288,1198 3.346,1199 3.154,1200 3.099,1201 4.671,1202 3.099,1203 3.058,1204 3.116,1205 2.935,1206 2.852,1207 4.1,1208 2.86,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.788,1214 2.715,1215 2.755,1216 2.822,1217 2.653,1218 2.527,1219 3.717,1220 2.547,1221 0.163,1222 0.135,1223 0.241,1224 0.15,1225 0.114,1226 4.565,1227 0.153,1228 3.778,1229 0.067,1230 6.739,1231 0.395,1232 4.192,1233 0.113,1234 3.205,1235 4.287,1236 1.869,1237 11.05,1238 3.165,1239 1.945,1240 1.927,1241 2.024,1242 2.007,1243 1.219,1244 2.013,1245 1.822,1246 1.79,1247 1.927,1248 1.944,1249 1.066,1250 1.94,1251 1.592,1252 1.525,1253 1.806,1254 1.851,1255 1.036,1256 1.839,1257 1.546,1258 1.49,1259 1.767,1260 1.731,1261 0.98,1262 1.741,1263 1.321,1264 1.288,1265 1.444,1266 1.451,1267 0.61,1268 1.45,1269 1.004,1270 0.927,1271 1.207,1272 1.36,1273 0.297,1274 1.315,1275 0.953,1276 0.9,1277 1.181,1278 1.214,1279 0.218,1280 1.189,1281 0.886,1282 0.821,1283 1.16,1284 1.062,1285 0.206,1286 1.107,1287 4.043,1289 5.361,1290 3.045,1291 6.882,1292 5.416,1293 8.496,1294 7.526,1295 10.159,1302 18.336,1303 2.121,1314 28.203,1315 67.56,1316 159.72,1317 201.72,1318 215.329,1319 217.329,1320 217.329,1321 35.277,1322 7.485,1323 83.53,1324 83.53,1325 22,1326 12.61,1327 4.248,1328 3.392,1329 35.704,1330 81,1331 93,1332 0.213,1333 172.274,1334 292.94,1335 412.11,1336 16818,1338 17.225,1339 0.689,1340 0.545,1341 17.225,1342 13.631,1343 12.296,1344 0.439,1345 0.294,1346 8.126,1347 11.81,1348 7.983,1349 6.568,1350 12.296,1351 8.232,1352 10.595,1353 0.272,1354 0.155,1355 10.595,1356 6.033,1357 9.439,1358 0.172,1359 0.082,1360 9.439,1361 4.524,1362 8.32,1363 0.109,1364 0.044,1365 8.32,1366 3.314,1367 6.576,1368 0.07,1369 0.023,1370 6.576,1371 2.179,1372 0.325,1373 77.271,1374 0.228,1375 23.89,1376 0.614,1377 134,1378 380.88,1379 143.789,1380 373.572,1381 515.79,1382 350,1383 161,1384 387.666,1385 171.596,1386 392.319,1387 569.18,1388 370,1389 5}
{0 CHEMBL526133,1 1.543,2 8.591,3 2.837,4 8.05,5 85.795,6 8.48,7 0.64,8 3.67,9 3.78,10 3.358,11 3.291,12 4.883,13 3.291,14 4.123,15 4.25,16 3.714,17 3.675,18 5.374,19 3.655,20 4.326,21 4.501,22 3.676,23 3.753,24 5.438,25 3.7,26 4.324,27 4.529,28 3.575,29 3.66,30 5.422,31 3.599,32 4.244,33 4.448,34 3.537,35 3.557,36 5.421,37 3.513,38 4.17,39 4.354,40 3.488,41 3.452,42 5.462,43 3.432,44 4.022,45 4.211,46 3.282,47 3.306,48 5.25,49 3.27,50 3.87,51 4.077,52 3.059,53 3.131,54 5.093,55 3.054,56 0.059,57 0.523,58 5.077,59 2.58,60 5.567,61 2.956,62 0.164,63 0.812,64 8.587,65 4.243,66 17.388,67 5.097,68 0.127,69 0.951,70 12.775,71 5.731,72 19,73 7.029,74 0.154,75 0.945,76 14.13,77 5.749,78 20.44,79 7.243,80 0.148,81 0.845,82 13.632,83 5.501,84 24.059,85 6.907,86 0.245,87 0.799,88 12.252,89 4.624,90 35.219,91 5.157,92 0.172,93 0.679,94 10.561,95 4.023,96 27.457,97 4.57,98 0.245,99 0.584,100 9.464,101 3.742,102 28.335,103 4.751,104 2,105 35,106 0.276,107 0.589,108 0.734,109 0.84,110 0.869,111 0.869,112 3.148,113 0.828,114 -3.79,115 -3.75,116 -3.57,119 50,135 1,138 1,142 8,143 3,145 1,152 1,157 1,159 1,168 1,172 10,174 1,175 3,178 2,180 4,183 12,188 4,193 4,196 9,200 8,205 4,208 5,213 6,218 3,221 5,224 1,225 7,228 1,230 3,233 8,238 2,246 9,249 1,250 1,253 2,254 1,255 1,258 6,264 2,269 2,272 2,276 610,277 15.24,278 15.24,279 15.24,280 15.24,281 15.24,282 12.908,283 10.63,284 9.076,285 15.395,286 12.397,287 12.397,288 12.397,289 12.397,290 12.397,291 8.847,292 16.814,293 4.361,294 12.635,295 3.544,296 1.801,297 0.986,298 0.397,299 0.235,300 0.235,301 3.85,304 1,305 1,306 1,307 424,308 1.871,311 48.187,312 178.645,315 81.571,319 1.318,320 15.32,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 47,332 189,333 4.485,334 3.617,335 6.349,336 4.038,337 3.057,338 4.387,339 1.691,340 9.8,341 3,342 4.305,343 3.024,344 6.173,345 3.862,346 2.882,347 3.859,348 0.344,349 9.189,350 2.824,351 3.98,352 2.836,353 5.941,354 3.559,355 2.577,356 3.485,358 8.372,359 2.527,360 3.563,361 2.679,362 5.051,363 3.173,364 2.182,365 2.865,367 6.067,368 2.147,369 3.253,370 1.886,371 4.428,372 2.731,373 1.734,374 2.482,376 4.365,377 1.724,378 3.034,379 1.653,380 4.359,381 2.518,382 1.534,383 2.301,385 4.226,386 1.507,387 2.904,388 1.534,389 4.197,390 2.387,391 1.409,392 1.991,394 3.747,395 1.374,396 2.603,397 1.18,398 3.49,399 2.065,400 1.085,401 1.605,403 2.601,404 1.061,405 2.51,406 1.065,407 3.434,408 2,409 1,410 1.5,412 2.352,413 1,414 2.5,415 1,416 3.247,417 1.963,418 1,419 1.455,421 2.136,422 0.96,423 1.903,424 0.672,425 3.04,426 1.378,427 0.409,428 0.604,430 1.011,431 0.396,432 1.214,433 0.421,434 2.693,435 0.65,436 -0.379,437 -0.538,439 -0.978,440 -0.383,441 0.859,442 -0.287,443 2.55,444 0.499,445 -0.462,446 -0.554,448 -1.257,449 -0.443,450 0.772,451 -0.52,452 2.259,453 0.359,454 -0.652,455 -0.917,457 -1.628,458 -0.658,459 0.593,460 -0.747,461 2.069,462 0.096,463 -0.887,464 -1.284,466 -2.347,467 -0.871,468 10.433,469 0.474,470 0.465,471 0.021,472 32.75,473 1.489,474 18.5,475 0.841,476 14.25,477 0.648,478 12.712,479 0.578,480 21.367,481 0.628,482 22.125,483 1.006,484 6.754,485 0.307,486 4.038,487 0.184,488 0.032,490 0.335,496 0.701,497 0.965,498 0.668,499 0.806,500 0.58,501 0.739,502 0.514,503 1.055,504 0.803,505 0.98,506 0.499,507 0.946,508 0.862,509 1.095,510 1.003,511 1.092,512 0.784,513 1.074,514 0.924,515 1.044,516 1.014,517 1.057,518 0.803,519 1.043,520 1.052,521 1.031,522 0.866,523 0.991,524 1.077,525 0.919,526 1.665,527 0.907,528 1.097,529 0.93,530 1.963,531 0.937,532 1.623,533 1.042,534 1.157,535 1.01,536 1.814,537 1.016,538 0.82,539 0.825,540 1.09,541 1.035,542 1.227,543 1.111,544 4,545 0.019,546 2.222,547 1.007,548 1.053,549 0.753,550 0.334,551 0.22,552 0.141,553 0.051,554 5206,555 14496,556 2.205,557 35.3,559 9,561 1,562 2,567 1.647,568 2.129,569 3.132,570 0.304,572 1,574 1,577 52.467,578 1.543,579 3.287,580 4.102,581 4.69,582 4.852,583 4.852,584 2.534,585 4.005,586 4.434,587 3.234,588 747.001,589 7.624,590 8027.79,591 1,592 1,593 1,594 1,595 172.974,596 1.143,597 4.418,598 0.16,599 0.003,600 0.063,601 0.031,602 0.036,603 0.027,604 0.013,605 0.01,606 0.009,607 0.005,608 0.358,609 0.67,610 1,611 0.405,612 99.962,613 -0.002,614 0.091,615 0.034,616 0.069,617 -0.071,618 0.06,619 0.238,620 -0.026,621 -0.047,622 -0.085,623 0.123,624 -0.112,625 -0.092,626 -0.136,627 -0.115,628 -0.13,629 -0.061,630 -0.127,631 -0.081,632 -0.081,633 -0.043,634 -0.081,635 -0.034,636 -0.054,637 -0.034,638 -0.103,639 0.146,640 0.01,641 0.064,642 0.091,643 -0.177,644 0.079,645 -0.095,646 0.02,647 -0.17,648 -0.019,649 -0.279,650 -0.073,651 -0.156,652 -0.049,653 -0.228,654 -0.075,655 0.346,656 0.122,657 -0.055,658 -0.043,659 0.07,660 -0.113,661 2.024,662 4.886,663 0.955,664 15.521,665 1.008,666 1.114,667 2.56,668 6.554,669 0.721,670 3.258,671 3.584,672 3.871,673 4.159,674 4.382,675 4.443,676 4.605,677 4.71,678 4.745,679 4.796,680 5.209,681 0.703,682 288.33,683 3.258,684 4.796,685 5.652,686 6.532,687 7.404,688 8.288,689 9.166,690 10.052,691 10.932,692 11.818,693 11.8,700 1,701 1,702 1,703 1,708 2,709 9,710 1,711 1,714 2,716 16,719 1,735 34,737 19,738 2,739 25,741 37,742 17,743 13,744 4,745 8,746 4,748 4,749 5,762 17,767 3,772 1,774 1,775 1,776 3,779 1,780 1,783 12,784 4,785 2,786 5,792 4,797 0.75,798 1,807 1,815 1,816 3,819 1,834 2,843 3,851 22,860 1,874 2.9,877 1,881 10.333,882 6.15,883 4.75,884 1.939,886 3.588,887 1.498,888 1.068,889 3.008,890 10.786,891 3.611,892 4.245,893 4.88,894 5.495,895 6.028,896 6.355,897 6.833,898 7.251,899 7.49,900 7.831,901 0.833,902 33,903 8.071,905 3.49,906 7.758,907 15.291,909 12.66,911 2.258,912 49.667,916 117.711,917 115.211,918 68.122,920 25.145,923 115.211,924 142.856,925 68.122,927 18.011,928 85.286,929 59.093,930 51.44,931 6.42,932 105.94,934 117.711,935 183.334,936 25.145,939 117.711,940 25.145,943 60.507,944 93.931,945 28.896,947 117.711,948 93.267,949 115.211,952 117.711,953 20.878,954 94.334,955 34.674,956 58.593,957 117.711,958 93.267,959 115.211,961 0.58,962 0.339,963 0.191,964 0.104,965 19,966 7,967 0.054,968 2,969 1,970 1.095,971 3.515,972 180.107,973 0.095,974 21,975 94.107,981 12.839,982 5.153,983 2.43,984 1.942,985 76.604,986 17.301,987 4.005,988 2.909,991 1.838,993 34.674,994 326.189,995 36,1000 11.886,1002 1.887,1003 4.079,1004 1.039,1007 34.269,1008 37.863,1009 0.303,1010 0.646,1011 0.806,1012 0.922,1013 0.954,1014 0.954,1015 4.828,1016 1.085,1017 5.624,1018 3.747,1019 4.263,1020 4.931,1021 1.825,1022 6.422,1023 4.225,1024 6.05,1025 1,1026 7.166,1027 2.601,1028 3.761,1029 4.649,1030 1.195,1031 7.248,1032 3.714,1033 7.359,1034 1,1035 8.807,1036 2.352,1037 5.838,1038 7.171,1039 2.509,1040 10.354,1041 5.761,1042 8.706,1043 0.409,1044 10.506,1045 2.136,1046 6.176,1047 7.755,1048 2.396,1049 12.008,1050 6.084,1051 10.084,1052 -0.379,1053 12.243,1054 1.011,1055 7.691,1056 9.693,1057 3.375,1058 14.589,1059 7.576,1060 11.484,1061 -0.462,1062 14.005,1063 -0.978,1064 8.423,1065 10.707,1066 3.537,1067 16.579,1068 8.29,1069 12.901,1070 -0.652,1071 15.785,1072 -1.257,1073 9.697,1074 12.383,1075 4.328,1076 18.963,1077 9.543,1078 3.057,1079 -0.887,1080 17.576,1081 -1.628,1082 10.618,1083 13.616,1084 4.643,1085 21.098,1086 10.444,1087 2.882,1088 9.8,1089 19.377,1090 -2.347,1091 11.786,1092 15.171,1093 5.325,1094 23.405,1095 11.594,1096 2.577,1097 9.189,1098 21.184,1099 4.387,1100 12.797,1101 16.517,1102 5.728,1103 25.605,1104 12.585,1105 2.182,1106 8.372,1107 22.996,1108 3.859,1109 13.921,1110 18.019,1111 6.345,1112 27.88,1113 13.69,1114 1.734,1115 6.067,1116 24.811,1117 3.485,1118 14.976,1119 19.423,1120 6.799,1121 30.111,1122 14.725,1123 1.534,1124 4.365,1125 26.63,1126 2.865,1127 16.082,1128 20.902,1129 7.378,1130 32.376,1131 15.813,1132 1.409,1133 4.226,1134 28.451,1135 2.482,1136 17.159,1137 22.336,1138 7.862,1139 34.622,1140 16.87,1141 4829,1142 8179,1143 17.394,1144 24.523,1145 38.4,1146 38.813,1147 37.819,1148 37.701,1149 37.738,1150 53.066,1151 4.069,1152 107.734,1153 37.04,1154 5.329,1155 5.617,1156 6.151,1157 5.112,1158 5.057,1159 7.387,1160 2.985,1161 16.375,1162 5,1163 5.599,1164 1.536,1165 1.553,1166 1.513,1167 1.508,1168 1.51,1169 2.123,1170 0.163,1171 4.309,1172 1.482,1173 4.112,1174 4.151,1175 4.076,1176 4.016,1177 7.433,1178 4.025,1179 3.94,1180 3.973,1181 3.888,1182 3.867,1183 5.099,1184 3.866,1185 3.692,1186 3.736,1187 3.644,1188 3.529,1189 4.808,1190 3.553,1191 3.313,1192 3.375,1193 3.245,1194 3.129,1195 4.612,1196 3.147,1197 3.023,1198 3.04,1199 2.971,1200 2.853,1201 4.26,1202 2.866,1203 2.958,1204 3.018,1205 2.844,1206 2.798,1207 3.882,1208 2.822,1209 2.854,1210 2.925,1211 2.687,1212 2.735,1213 3.734,1214 2.715,1215 2.71,1216 2.784,1217 2.606,1218 2.515,1219 3.674,1220 2.525,1221 0.179,1222 0.145,1223 0.254,1224 0.162,1225 0.122,1226 4.485,1227 0.175,1228 3.617,1229 0.068,1230 6.349,1231 0.392,1232 4.038,1233 0.12,1234 3.057,1235 4.387,1236 1.691,1237 9.8,1238 3,1239 1.983,1240 1.96,1241 2.063,1242 2.071,1243 1.19,1244 2.068,1245 1.9,1246 1.875,1247 2.004,1248 1.977,1249 1.102,1250 1.987,1251 1.578,1252 1.539,1253 1.675,1254 1.774,1255 0.722,1256 1.745,1257 1.309,1258 1.229,1259 1.463,1260 1.63,1261 0.407,1262 1.585,1263 1.026,1264 0.983,1265 1.181,1266 1.192,1267 0.291,1268 1.192,1269 0.914,1270 0.891,1271 1.18,1272 1.145,1273 0.218,1274 1.123,1275 0.886,1276 0.821,1277 1.072,1278 1.062,1279 0.078,1280 1.107,1281 0.74,1282 0.664,1283 1.005,1284 0.984,1286 1.003,1287 3.932,1289 5.252,1290 2.398,1291 6.772,1292 4.595,1293 8.38,1294 6.581,1295 10.034,1305 2.781,1314 23.908,1315 52.467,1316 111.754,1317 139.464,1318 159.464,1319 164.974,1320 164.974,1321 24.851,1322 7.198,1323 74.43,1324 74.43,1325 23,1326 12.351,1327 4.322,1328 3.585,1329 29.834,1330 68,1331 64,1332 0.215,1333 146.166,1334 246.91,1335 348.405,1336 12310,1338 14.941,1339 0.679,1340 0.526,1341 14.941,1342 11.576,1343 10.793,1344 0.432,1345 0.276,1346 6.821,1347 10.46,1348 6.698,1349 5.557,1350 10.793,1351 6.898,1352 9.755,1353 0.279,1354 0.144,1355 9.755,1356 5.023,1357 8.329,1358 0.177,1359 0.076,1360 8.329,1361 3.565,1362 7.254,1363 0.115,1364 0.039,1365 7.254,1366 2.481,1367 5.84,1368 0.074,1369 0.021,1370 5.84,1371 1.646,1372 0.329,1373 67.105,1374 0.24,1375 21.468,1376 0.612,1377 120,1378 343.691,1379 129.596,1380 341.637,1381 476.18,1382 320,1383 142,1384 361.806,1385 151.238,1386 369.07,1387 537.55,1388 348,1389 5.1}
{0 CHEMBL535,1 1.584,2 11.655,3 2.998,4 8.987,5 113.678,6 7.117,7 0.355,8 4.101,9 4.238,10 3.612,11 3.603,12 5.199,13 3.578,14 4.649,15 4.852,16 3.983,17 3.985,18 5.735,19 3.943,20 4.864,21 5.08,22 4.051,23 4.122,24 5.954,25 4.066,26 4.978,27 5.196,28 4.03,29 4.168,30 6.076,31 4.077,32 5.06,33 5.324,34 3.954,35 4.095,36 6.164,37 3.994,38 4.949,39 5.221,40 3.905,41 4.029,42 6.047,43 3.935,44 4.824,45 5.053,46 3.867,47 3.978,48 5.943,49 3.895,50 4.825,51 5.057,52 3.837,53 3.927,54 6.073,55 3.851,56 0.042,57 0.89,58 12.112,59 4.992,60 8.39,61 6.881,62 0.257,63 1.392,64 22.895,65 8.086,66 28.708,67 11.698,68 0.357,69 1.638,70 29.378,71 9.964,72 45.373,73 13.974,74 0.334,75 1.713,76 32.841,77 11.644,78 54.094,79 16.456,80 0.714,81 1.689,82 38.27,83 11.448,84 97.478,85 16.832,86 0.566,87 1.535,88 34.091,89 10.532,90 95.888,91 15.545,92 0.404,93 1.417,94 28.873,95 9.612,96 60.464,97 13.7,98 0.648,99 1.43,100 29.772,101 9.203,102 101.382,103 12.854,104 59,105 44,106 0.262,107 0.599,108 0.765,109 0.838,110 0.838,111 0.838,112 3.408,113 0.956,114 -3.6,115 -3.57,116 -3.41,119 39.3,120 4,125 4,135 1,136 1,142 3,143 3,144 2,152 2,158 2,172 6,175 4,178 2,180 8,183 7,188 3,191 1,193 6,196 8,200 4,203 1,204 1,205 3,208 8,212 1,213 4,216 1,217 1,218 5,221 5,225 4,230 4,233 4,238 6,241 1,243 3,246 6,249 1,250 2,253 2,254 1,255 1,258 5,264 2,269 3,272 5,276 1395,277 19.24,278 19.24,279 19.24,280 19.24,281 19.24,282 17.408,283 25.99,284 11.043,285 19.62,286 15.105,287 15.105,288 15.105,289 15.105,290 15.105,291 12.167,292 30.71,293 5.039,294 15.616,295 4.223,296 2.178,297 1.175,298 0.732,299 0.732,300 0.732,301 4.082,305 1,306 1,307 707,308 4.062,311 154.273,312 84.801,315 128.978,319 2.105,320 37.028,323 1,324 1,325 1,326 1,327 1,328 1,329 1,330 1,331 63.5,332 338,333 4.619,334 3.668,335 6.845,336 4.245,337 3.256,338 4.332,339 1.058,340 11.257,341 3.22,342 4.49,343 3.635,344 6.721,345 4.136,346 3.145,347 4.111,348 1.058,349 10.905,350 3.113,351 3.829,352 2.996,353 5.705,354 3.416,355 2.463,356 3.258,357 0.8,358 7.519,359 2.375,360 3.628,361 2.971,362 5.455,363 3.355,364 2.406,365 2.899,367 6.694,368 2.255,369 3.438,370 2.78,371 5.271,372 3.242,373 2.267,374 2.569,376 6.623,377 2.192,378 3.317,379 2.546,380 4.966,381 2.899,382 1.936,383 2.442,385 5.734,386 1.844,387 3.173,388 2.205,389 4.871,390 2.803,391 1.823,392 2.338,394 5.105,395 1.774,396 3.033,397 1.951,398 4.707,399 2.635,400 1.64,401 2.146,403 4.754,404 1.62,405 2.728,406 1.567,407 4.407,408 2.374,409 1.413,410 1.77,412 3.88,413 1.355,414 2.382,415 1.546,416 3.65,417 2.036,418 1.042,419 1.241,421 2.355,422 1.029,423 2.163,424 0.941,425 3.368,426 1.773,427 0.787,428 1.057,430 2.007,431 0.771,432 1.618,433 0.82,434 3.011,435 1.591,436 0.618,437 0.618,439 0.791,440 0.6,441 1.513,442 0.744,443 2.628,444 1.138,445 0.177,446 0.203,448 0.399,449 0.168,450 1.183,451 0.576,452 2.618,453 1.037,454 0.066,455 0.078,457 0.124,458 0.063,459 1.042,460 0.375,461 2.459,462 0.77,463 -0.24,464 -0.277,466 -0.524,467 -0.238,468 13.552,469 0.467,470 0.822,471 0.028,472 33.5,473 1.155,474 15,475 0.517,476 18.5,477 0.638,478 28.078,479 0.968,480 32.648,481 0.583,482 27.063,483 0.933,484 6.772,485 0.234,486 7.078,487 0.244,488 0.218,490 0.398,494 1,496 0.676,497 1.273,498 0.827,499 1.147,500 0.544,501 1.031,502 0.653,503 1.063,504 0.753,505 0.935,506 0.489,507 0.866,508 1.045,509 0.979,510 0.964,511 0.941,512 0.905,513 0.924,514 0.854,515 1.157,516 1.037,517 1.261,518 0.867,519 1.201,520 1.031,521 0.824,522 0.956,523 0.87,524 1.142,525 0.898,526 0.887,527 0.832,528 0.814,529 0.796,530 0.831,531 0.782,532 0.966,533 0.95,534 0.971,535 1.055,536 1.062,537 1.029,538 1.226,539 0.956,540 1.076,541 0.927,542 1.288,543 0.968,544 6.5,545 0.086,546 3.778,547 3.368,548 1.503,549 1.07,550 0.754,551 0.607,552 0.463,553 0.194,554 10261,555 26966,556 1.973,557 48.2,558 3,559 12,562 3,563 3,564 6,567 1.719,568 1.794,569 3.48,570 0.891,571 1,572 1,577 88.722,578 1.584,579 3.63,580 4.633,581 5.075,582 5.075,583 5.075,584 2.945,585 4.487,586 4.825,587 3.702,588 1503.13,589 8.406,590 20612.1,592 1,594 1,595 325.212,596 1.556,597 4.756,598 0.21,599 0.005,600 0.086,601 0.073,602 0.036,603 0.028,604 0.02,605 0.017,606 0.014,607 0.008,608 0.496,609 0.33,610 1,611 1.766,612 148.127,613 -0.05,614 -0.12,615 0.029,616 -0.024,617 -0.046,618 0.012,619 0.072,620 -0.021,621 0.162,622 0.094,623 0.093,624 0.138,625 -0.107,626 0.081,627 -0.009,628 0.066,629 -0.036,630 0.059,631 -0.003,632 -0.198,633 -0.098,634 -0.243,635 -0.002,636 -0.201,637 0.014,638 0.03,639 0.048,640 0.059,641 -0.045,642 0.055,643 0.053,644 0.076,645 0.178,646 0.156,647 0.098,648 0.193,649 -0.01,650 -0.052,651 -0.006,652 -0.067,653 -0.037,654 -0.046,655 0.004,656 0.02,657 -0.061,658 0.03,659 0.027,660 -0.021,661 2.071,662 5.703,663 0.483,664 30.19,665 1.003,666 1.138,667 2.373,668 5.63,669 0.643,670 3.466,671 3.807,672 4.094,673 4.357,674 4.489,675 4.564,676 4.718,677 4.852,678 4.844,679 4.875,680 7.02,681 0.611,682 398.53,683 3.466,684 5.017,685 5.878,686 6.77,687 7.651,688 8.551,689 9.443,690 10.348,691 11.247,692 12.154,693 7.1,696 1,700 2,701 1,709 3,711 1,714 7,716 11,723 1,734 1,735 56,737 14,738 1,739 31,741 58,742 22,743 10,744 3,745 3,746 4,748 3,749 4,754 4,762 14,763 8,767 3,772 2,774 1,776 3,780 1,781 1,783 27,784 6,785 3,786 7,792 4,797 0.667,798 2,811 1,815 2,816 1,819 1,829 1,834 1,835 1,839 1,843 2,847 4,849 1,851 29,858 4,860 2,864 1,873 1,874 3.6,877 2,881 16.167,882 11.26,883 6.528,884 3.655,886 2.844,887 1.383,888 0.973,889 6.557,890 10.273,891 3.701,892 4.287,893 4.865,894 5.431,895 5.869,896 6.183,897 6.595,898 7.004,899 7.275,900 7.594,901 0.875,902 46,903 10.811,905 4.602,906 7.92,907 20.383,909 16.46,911 2.42,912 70.167,915 1,916 282.506,917 121.171,918 55.931,920 50.29,921 14.96,923 121.171,924 332.796,925 70.891,926 35.301,927 44.444,928 37.905,929 59.699,930 44.53,931 20.474,932 282.506,934 282.506,935 177.103,936 65.25,939 226.84,940 120.916,943 99.655,944 67.972,945 9.476,947 297.467,948 106.221,949 121.171,952 282.506,953 47.966,954 76.33,955 52.807,956 65.25,957 282.506,958 121.181,959 121.171,961 0.584,962 0.356,963 0.187,964 0.091,965 20,966 11,967 0.121,968 7,969 1,970 1.143,971 3.936,972 249.067,973 0.143,974 14,975 136.881,981 21.284,982 8.934,983 4.439,985 104.396,986 4.197,988 3.187,991 3.428,993 52.807,994 524.859,995 39.5,1000 25.049,1002 1.676,1004 -0.06,1007 56.178,1008 63.734,1009 0.273,1010 0.625,1011 0.798,1012 0.874,1013 0.874,1014 0.874,1015 4.961,1016 1.64,1017 5.889,1018 5.105,1019 4.489,1020 4.973,1021 1.863,1022 6.739,1023 4.434,1024 6.182,1025 1.413,1026 7.482,1027 4.754,1028 4.205,1029 4.924,1030 0.325,1031 7.735,1032 4.139,1033 7.509,1034 1.042,1035 9.173,1036 3.88,1037 6.125,1038 7.166,1039 1.868,1040 10.853,1041 6.031,1042 8.873,1043 0.787,1044 10.921,1045 2.355,1046 6.648,1047 7.93,1048 0.268,1049 12.69,1050 6.556,1051 10.27,1052 0.618,1053 12.706,1054 2.007,1055 8.072,1056 9.691,1057 1.93,1058 15.345,1059 7.96,1060 11.691,1061 0.177,1062 14.518,1063 0.791,1064 8.958,1065 10.825,1066 0.188,1067 17.53,1068 8.85,1069 13.132,1070 0.066,1071 16.35,1072 0.399,1073 10.206,1074 12.403,1075 2.01,1076 20.027,1077 10.084,1078 3.256,1079 -0.24,1080 18.199,1081 0.124,1082 11.253,1083 13.707,1084 0.125,1085 22.35,1086 11.131,1087 3.145,1088 11.257,1089 20.061,1090 -0.524,1091 12.441,1092 15.209,1093 2.099,1094 24.79,1095 12.309,1096 2.463,1097 10.905,1098 21.933,1099 4.332,1100 13.556,1101 16.591,1102 0.082,1103 27.166,1104 13.42,1105 2.406,1106 7.519,1107 23.814,1108 4.111,1109 14.725,1110 18.063,1111 2.193,1112 29.586,1113 14.58,1114 2.267,1115 6.694,1116 25.702,1117 3.258,1118 15.869,1119 19.48,1120 0.054,1121 31.982,1122 15.718,1123 1.936,1124 6.623,1125 27.595,1126 2.899,1127 17.035,1128 20.939,1129 2.291,1130 34.395,1131 16.874,1132 1.823,1133 5.734,1134 29.493,1135 2.569,1136 18.192,1137 22.374,1138 0.035,1139 36.799,1140 18.022,1141 10241,1142 16865,1143 19.709,1144 36.006,1145 46.73,1146 48.507,1147 49.823,1148 46.081,1149 46.081,1150 58.126,1151 5.833,1152 136.296,1153 44.76,1154 5.545,1155 5.668,1156 6.463,1157 5.284,1158 5.256,1159 7.332,1160 2.117,1161 18.419,1162 5.22,1163 18.634,1164 1.507,1165 1.565,1166 1.607,1167 1.486,1168 1.486,1169 1.875,1170 0.188,1171 4.397,1172 1.444,1173 4.085,1174 4.115,1175 4.05,1176 3.991,1177 8.201,1178 4.001,1179 3.94,1180 3.971,1181 3.904,1182 3.839,1183 7.431,1184 3.85,1185 3.755,1186 3.837,1187 3.619,1188 3.55,1189 7.427,1190 3.555,1191 3.494,1192 3.548,1193 3.44,1194 3.343,1195 4.819,1196 3.357,1197 3.424,1198 3.476,1199 3.311,1200 3.205,1201 4.646,1202 3.21,1203 3.306,1204 3.407,1205 3.04,1206 3.123,1207 4.338,1208 3.089,1209 3.202,1210 3.297,1211 2.998,1212 3.023,1213 4.045,1214 3.002,1215 3.093,1216 3.147,1217 2.944,1218 2.856,1219 3.997,1220 2.88,1221 0.149,1222 0.118,1223 0.221,1224 0.137,1225 0.105,1226 4.619,1227 0.14,1228 3.668,1229 0.034,1230 6.845,1231 0.363,1232 4.245,1233 0.104,1234 3.256,1235 4.332,1236 1.058,1237 11.257,1238 3.22,1239 1.891,1240 1.872,1241 1.969,1242 1.971,1243 1.217,1244 1.971,1245 1.744,1246 1.705,1247 1.963,1248 1.96,1249 1.113,1250 1.965,1251 1.685,1252 1.627,1253 1.845,1254 1.84,1255 1.005,1256 1.836,1257 1.637,1258 1.585,1259 1.792,1260 1.83,1261 0.919,1262 1.823,1263 1.388,1264 1.31,1265 1.725,1266 1.634,1267 0.87,1268 1.657,1269 1.351,1270 1.291,1271 1.697,1272 1.584,1273 0.869,1274 1.638,1275 1.343,1276 1.256,1277 1.545,1278 1.575,1279 0.612,1280 1.558,1281 0.998,1282 0.935,1283 1.258,1284 1.282,1285 0.316,1286 1.283,1287 4.143,1289 5.476,1290 3.045,1291 6.993,1292 5.533,1293 8.595,1294 7.703,1295 10.247,1297 7.856,1299 13.65,1303 3.24,1305 5.705,1309 2.238,1314 34.22,1315 88.722,1316 203.264,1317 259.437,1318 284.192,1319 284.192,1320 284.192,1321 73.893,1322 7.428,1323 80.99,1324 80.99,1325 16,1326 12.673,1327 3.907,1328 3.248,1329 52.559,1330 121,1331 128,1332 0.213,1333 212.57,1334 376.81,1335 510.432,1336 16523,1337 1.8,1338 21.129,1339 0.729,1340 0.596,1341 20.259,1342 17.28,1343 13.85,1344 0.447,1345 0.319,1346 9.741,1347 13.278,1348 9.393,1349 7.849,1350 13.456,1351 9.879,1352 12.455,1353 0.283,1354 0.162,1355 11.821,1356 7.149,1357 10.606,1358 0.18,1359 0.091,1360 10.264,1361 5.365,1362 8.825,1363 0.115,1364 0.048,1365 8.613,1366 3.663,1367 6.317,1368 0.072,1369 0.023,1370 5.988,1371 2.045,1372 0.337,1373 87.002,1374 0.225,1375 27.641,1376 0.58,1377 150,1378 482.226,1379 166.169,1380 440.779,1381 591.42,1382 410,1383 178,1384 427.916,1385 193.084,1386 427.854,1387 628.8,1388 403,1389 7.252}
{0 CHEMBL535331,1 1.449,2 9.619,3 3.635,4 13.211,5 83.932,6 8.098,7 0.833,8 3.672,9 3.801,10 3.326,11 3.255,12 4.836,13 3.253,14 4.12,15 4.268,16 3.663,17 3.635,18 5.248,19 3.61,20 4.303,21 4.514,22 3.581,23 3.634,24 5.351,25 3.575,26 4.243,27 4.482,28 3.361,29 3.454,30 5.245,31 3.375,32 4.02,33 4.283,34 3.072,35 3.149,36 4.997,37 3.072,38 3.844,39 4.104,40 3.018,41 3.028,42 4.835,43 2.981,44 3.713,45 3.933,46 3.05,47 3.049,48 4.762,49 3.011,50 3.742,51 3.953,52 3.031,53 3.129,54 4.726,55 3.069,56 0.056,57 0.564,58 5.91,59 2.517,60 6.487,61 3.131,62 0.108,63 0.873,64 9.745,65 4.247,66 10.142,67 5.423,68 0.155,69 0.986,70 14.144,71 5.227,72 17.75,73 7.016,74 0.147,75 0.903,76 14.307,77 4.889,78 18.325,79 6.713,80 0.158,81 0.714,82 12.224,83 3.739,84 17.895,85 5.216,86 0.123,87 0.602,88 10.26,89 3.026,90 14.737,91 4.215,92 0.136,93 0.551,94 8.044,95 2.669,96 12.066,97 3.568,98 0.077,99 0.546,100 8.112,101 3.024,102 9.267,103 4.048,105 33,106 0.259,107 0.563,108 0.721,109 0.848,110 0.9,111 0.911,112 3.102,113 0.837,114 -4.15,115 -4.09,116 -3.87,119 47.1,142 8,143 2,146 1,151 1,152 2,155 1,162 1,168 1,172 8,175 2,178 2,179 1,180 4,183 7,187 1,188 3,191 1,193 5,196 5,200 2,203 1,205 5,208 1,213 5,217 1,218 4,225 4,230 3,238 1,241 1,242 1,243 2,246 2,250 2,255 2,258 4,264 1,269 3,272 4,276 504,277 14.792,278 14.792,279 14.792,280 14.792,281 14.792,282 12.316,283 5.093,284 8.904,285 15.03,286 11.903,287 11.903,288 11.903,289 11.903,290 11.903,291 8.234,292 2.5,293 4.25,294 12.307,295 3.639,296 1.94,297 1.059,298 0.353,299 0.059,301 3.81,304 1,305 1,306 1,307 459,308 2.449,311 83.254,312 107.701,315 160.302,319 1.388,320 9.165,322 1,323 1,324 1,325 1,326 0.6,328 1,329 1,330 0.8,331 44.5,332 202,333 4.532,334 3.081,335 6.526,336 4.047,337 3.062,338 4.485,340 10.264,341 3.017,342 4.458,343 3.008,344 6.243,345 3.932,346 2.981,347 4.401,349 9.472,350 2.837,351 3.57,352 2.357,353 5.158,354 3.134,355 2.185,356 2.93,358 6.27,359 2.074,360 3.431,361 2.095,362 5.103,363 2.983,364 2.009,365 2.796,367 5.973,368 1.946,369 3.046,370 1.554,371 4.414,372 2.519,373 1.546,374 2.319,376 4.312,377 1.501,378 3.032,379 1.539,380 4.193,381 2.495,382 1.532,383 2.298,385 3.78,386 1.474,387 2.913,388 1.532,389 3.628,390 2.409,391 1.422,392 2.067,394 3.028,395 1.402,396 2.779,397 1.363,398 3.593,399 2.23,400 1.249,401 1.855,403 2.851,404 1.224,405 2.528,406 1.092,407 3.406,408 1.959,409 1,410 1.474,412 2.298,413 0.956,414 2.019,415 0.583,416 3.073,417 1.536,418 0.574,419 0.804,421 1.325,422 0.551,423 1.847,424 0.347,425 3,426 1.295,427 0.347,428 0.521,430 0.86,431 0.328,432 1.212,433 0.072,434 2.617,435 0.816,436 -0.137,437 -0.181,439 -0.34,440 -0.13,441 0.724,442 -0.669,443 2,444 0.25,445 -0.719,446 -0.97,448 -1.762,449 -0.693,450 0.659,451 -0.826,452 2,453 0.156,454 -0.836,455 -1.253,457 -2.02,458 -0.827,459 0.584,460 -0.866,461 2,462 0.062,463 -0.914,464 -1.357,466 -2.192,467 -0.893,468 10,469 0.476,470 0.359,471 0.017,472 32,473 1.524,474 18,475 0.857,476 14,477 0.667,478 11.355,479 0.541,480 20.6,481 0.606,482 19.523,483 0.93,484 6.569,485 0.313,486 3.83,487 0.182,490 0.3,496 0.989,497 1.057,498 0.727,499 0.821,500 0.899,501 0.753,502 0.775,503 1.092,504 0.868,505 1.043,506 0.864,507 0.983,508 1.043,509 1.096,510 1.023,511 1.059,512 0.958,513 1.042,514 1.208,515 1.208,516 1.122,517 1.139,518 1.146,519 1.122,520 1.409,521 1.085,522 1.113,523 0.975,524 1.306,525 0.996,526 1.532,527 1.031,528 0.947,529 0.759,530 1.244,531 0.767,532 1.218,533 0.802,534 0.952,535 0.751,536 1.215,537 0.801,538 1.131,539 0.938,540 0.98,541 0.892,542 0.989,543 0.91,544 3,545 0.032,546 2,547 1.458,548 0.484,549 0.275,550 0.131,551 0.185,552 0.103,553 0.11,554 5354,555 13171,556 2.246,557 38.2,559 8,560 1,561 1,562 3,567 1.623,568 2.211,569 3.258,570 1.062,572 1,574 1,577 49.258,578 1.449,579 3.147,580 4.029,581 4.735,582 5.029,583 5.087,584 2.661,585 3.821,586 4.371,587 3.395,588 712.995,589 7.441,590 7812.64,591 1,592 1,593 1,594 1,595 172.974,596 0.863,597 4.366,598 0.125,599 0.003,600 0.061,601 0.05,602 0.022,603 0.017,604 0.008,605 0.011,606 0.006,607 0.007,608 0.31,609 0.67,610 1,612 96.399,613 -0.021,614 0.051,615 0.04,616 0.072,617 -0.097,618 0.066,619 0.158,620 -0.023,621 -0.065,622 -0.131,623 -0.018,624 -0.13,625 -0.002,626 -0.092,627 -0.081,628 -0.12,629 0.037,630 -0.113,631 -0.083,632 -0.228,633 -0.113,634 -0.196,635 -0.044,636 -0.166,637 -0.126,638 -0.097,639 -0.043,640 -0.042,641 -0.108,642 -0.033,643 -0.223,644 -0.029,645 0.121,646 0.17,647 -0.01,648 0.19,649 0.009,650 0.249,651 0.016,652 0.161,653 -0.104,654 0.103,655 -0.189,656 0.048,657 -0.041,658 0.074,659 -0.096,660 0.045,661 1.035,662 1.406,663 0.857,664 14.476,665 1.001,666 1.122,667 2.921,668 8.532,669 0.708,670 3.219,671 3.526,672 3.829,673 4.111,674 4.234,675 4.205,676 4.277,677 4.369,678 4.263,679 4.394,680 5.846,681 0.683,682 275.34,683 3.219,684 4.745,685 5.602,686 6.475,687 7.345,688 8.223,689 9.096,690 9.975,691 10.849,692 11.728,693 14.7,698 1,701 2,702 1,703 1,708 4,709 9,710 1,711 2,714 2,716 20,735 34,737 21,738 2,739 24,741 37,742 16,743 15,744 4,745 8,746 1,748 4,749 6,751 1,762 16,767 1,774 1,775 1,779 1,780 1,783 13,784 3,785 3,786 5,789 1,792 5,797 0.5,811 1,815 2,816 2,819 2,843 2,851 21,860 1,881 9.5,882 5.983,883 4.583,884 1.904,886 4.622,887 1.646,888 1.091,889 2.942,890 11.776,891 3.584,892 4.256,893 4.942,894 5.608,895 6.076,896 6.361,897 6.757,898 7.152,899 7.124,900 7.598,901 1,902 29,903 7.679,905 3.266,906 7.571,907 14.771,909 12.161,911 2.071,912 43.5,913 0.001,916 117.711,917 107.995,918 84.908,923 107.995,924 117.711,925 84.908,928 84.857,929 55.492,930 60.036,931 16.059,932 94.169,934 117.711,935 192.903,939 117.711,943 54.277,944 94.904,945 43.721,947 117.711,948 84.908,949 107.995,952 117.711,953 14.09,954 93.905,955 51.459,956 33.449,957 117.711,958 84.908,959 107.995,961 0.574,962 0.342,963 0.196,964 0.099,965 18,966 6,967 0.081,968 3,969 2,970 1.222,971 3.592,972 161.742,973 0.222,974 18,975 92.239,981 12.179,982 5.073,983 2.3,984 4.153,985 51.337,986 17.938,987 4.406,988 6.385,991 1.668,993 51.459,994 310.614,995 35,1002 1.784,1003 4.241,1007 34.043,1008 38.152,1009 0.285,1010 0.619,1011 0.792,1012 0.931,1013 0.988,1014 1,1015 4.779,1016 1.249,1017 5.557,1018 3.028,1019 4.205,1020 4.942,1022 6.347,1023 4.139,1024 6,1025 1,1026 7.091,1027 2.851,1028 3.611,1029 4.691,1031 7.182,1032 3.514,1033 7.309,1034 0.574,1035 8.728,1036 2.298,1037 5.765,1038 7.266,1040 10.302,1041 5.636,1042 8.663,1043 0.347,1044 10.43,1045 1.325,1046 6.089,1047 7.968,1049 12.04,1050 5.928,1051 10.053,1052 -0.137,1053 12.175,1054 0.86,1055 7.636,1056 9.913,1058 14.625,1059 7.45,1060 11.471,1061 -0.719,1062 13.95,1063 -0.34,1064 8.392,1065 11.058,1067 16.712,1068 8.176,1069 12.911,1070 -0.836,1071 15.746,1072 -1.762,1073 9.683,1074 12.742,1076 19.118,1077 9.446,1078 3.062,1079 -0.914,1080 17.557,1081 -2.02,1082 10.638,1083 14.085,1085 21.338,1086 10.372,1087 2.981,1088 10.264,1089 19.38,1090 -2.192,1091 11.821,1092 15.659,1094 23.682,1095 11.534,1096 2.185,1097 9.472,1098 21.211,1099 4.485,1100 12.863,1101 17.088,1103 25.955,1104 12.55,1105 2.009,1106 6.27,1107 23.049,1108 4.401,1109 14.002,1110 18.615,1112 28.276,1113 13.668,1114 1.546,1115 5.973,1116 24.892,1117 2.93,1118 15.081,1119 20.081,1121 30.571,1122 14.723,1123 1.532,1124 4.312,1125 26.739,1126 2.796,1127 16.202,1128 21.588,1130 32.886,1131 15.823,1132 1.422,1133 3.78,1134 28.589,1135 2.319,1136 17.298,1137 23.069,1139 35.19,1140 16.897,1141 4879,1142 7772,1143 16.989,1144 24.074,1145 36.226,1146 35.945,1147 36.174,1148 35.809,1149 35.814,1150 51.899,1152 100.867,1153 34.622,1154 5.254,1155 5.081,1156 6.21,1157 5.104,1158 5.062,1159 7.485,1161 16.913,1162 5.017,1164 1.509,1165 1.498,1166 1.507,1167 1.492,1168 1.492,1169 2.162,1171 4.203,1172 1.443,1173 4.133,1174 4.173,1175 4.094,1176 4.041,1177 5.108,1178 4.048,1179 4.077,1180 4.118,1181 4.04,1182 3.959,1183 4.983,1184 3.974,1185 3.513,1186 3.58,1187 3.436,1188 3.357,1189 4.635,1190 3.364,1191 3.391,1192 3.453,1193 3.296,1194 3.216,1195 4.325,1196 3.236,1197 3.159,1198 3.247,1199 3.063,1200 2.92,1201 4.235,1202 2.943,1203 2.913,1204 2.981,1205 2.793,1206 2.777,1207 3.852,1208 2.771,1209 2.875,1210 2.944,1211 2.754,1212 2.713,1213 3.725,1214 2.718,1215 2.515,1216 2.609,1217 2.372,1218 2.335,1219 3.337,1220 2.336,1221 0.189,1222 0.128,1223 0.272,1224 0.169,1225 0.128,1226 4.532,1227 0.187,1228 3.081,1230 6.526,1231 0.428,1232 4.047,1233 0.126,1234 3.062,1235 4.485,1237 10.264,1238 3.017,1239 1.934,1240 1.911,1241 2.028,1242 2.015,1243 1.148,1244 2.02,1245 1.91,1246 1.881,1247 2.01,1248 2.007,1249 1.097,1250 2.01,1251 1.584,1252 1.528,1253 1.706,1254 1.824,1255 0.733,1256 1.789,1257 1.395,1258 1.317,1259 1.515,1260 1.67,1261 0.482,1262 1.64,1263 1.101,1264 1.031,1265 1.299,1266 1.357,1267 0.326,1268 1.345,1269 0.951,1270 0.896,1271 1.128,1272 1.143,1273 0.191,1274 1.145,1275 0.855,1276 0.786,1277 1.101,1278 1.061,1279 0.138,1280 1.077,1281 0.761,1282 0.69,1283 1.064,1284 0.955,1285 0.101,1286 0.999,1287 3.892,1289 5.198,1290 3.045,1291 6.698,1292 5.416,1293 8.285,1294 7.516,1295 9.917,1305 2.926,1314 23.214,1315 49.258,1316 107,1317 136.974,1318 160.974,1319 170.974,1320 172.974,1321 19.013,1322 7.155,1323 68.86,1324 68.86,1325 22,1326 12.265,1327 4.459,1328 3.585,1329 28.306,1330 76,1331 54,1332 0.184,1333 142.299,1334 223.56,1335 338.97,1336 13084,1338 14.071,1339 0.67,1340 0.532,1341 14.071,1342 11.168,1343 10.399,1344 0.433,1345 0.279,1346 6.618,1347 10.073,1348 6.509,1349 5.416,1350 10.399,1351 6.7,1352 9.119,1353 0.276,1354 0.144,1355 9.119,1356 4.762,1357 8.008,1358 0.178,1359 0.075,1360 8.008,1361 3.385,1362 6.978,1363 0.116,1364 0.039,1365 6.978,1366 2.369,1367 5.378,1368 0.079,1369 0.021,1370 5.378,1371 1.458,1372 0.294,1373 64.619,1374 0.243,1375 21.178,1376 0.485,1377 114,1378 298.289,1379 123.103,1380 300.694,1381 429.68,1382 284,1383 135,1384 337.141,1385 144.825,1386 343.58,1387 500.36,1388 325,1389 5.1}
{0 CHEMBL536151,1 2.011,2 8.44,3 4.896,4 23.974,5 77.759,6 11.627,7 0.462,8 3.663,9 3.731,10 3.531,11 3.178,12 5.108,13 3.254,14 4.206,15 4.292,16 4.106,17 3.533,18 6.449,19 3.624,20 4.347,21 4.456,22 4.031,23 3.633,24 6.008,25 3.701,26 4.505,27 4.67,28 4.014,29 3.496,30 6.217,31 3.615,32 4.321,33 4.446,34 4.123,35 3.335,36 6.197,37 3.517,38 4.406,39 4.561,40 4.057,41 3.273,42 6.794,43 3.439,44 4.029,45 4.119,46 3.808,47 3.206,48 6.281,49 3.303,50 3.935,51 4.057,52 3.676,53 3.141,54 5.62,55 3.233,56 0.585,57 0.951,58 0.898,59 3.169,60 113.509,61 2.078,62 1.533,63 1.982,64 3.074,65 5.431,66 281.575,67 3.615,68 1.301,69 1.507,70 6.375,71 6.423,72 209.93,73 4.924,74 2.03,75 1.482,76 15.994,77 7.202,78 366.645,79 5.495,80 1.352,81 1.515,82 8.467,83 5.145,84 248.048,85 3.585,86 2.603,87 2.244,88 16.786,89 6.669,90 482.18,91 3.948,92 1.274,93 0.931,94 5.269,95 4.515,96 253.761,97 3.387,98 0.977,99 1.136,100 7.404,101 4.685,102 163.149,103 3.897,104 86,105 40,106 0.375,107 0.656,108 0.732,109 0.809,110 0.809,111 0.809,112 3.267,113 0.79,114 -6.04,115 -5.89,116 -5.47,119 45.5,132 2,142 6,143 3,144 3,158 1,172 6,175 1,178 1,180 5,183 8,188 1,193 5,196 6,200 3,203 1,204 1,205 2,208 2,213 4,218 3,221 4,225 1,230 2,233 5,243 2,246 7,255 1,258 5,272 2,276 889,277 15.115,278 15.115,279 15.115,280 15.115,281 15.115,282 13.575,283 20.187,284 8.401,285 15.819,286 12.81,287 12.81,288 12.81,289 12.81,290 12.81,291 10.363,292 26.753,293 4.013,294 14.158,295 3.034,296 1.531,297 1.122,298 0.712,299 0.712,300 0.712,301 3.914,302 1,305 1,306 1,307 424,308 4.359,312 179.439,319 1.267,320 77.557,323 0.75,324 0.83,325 1,326 0.4,327 0.5,328 1,329 1,330 0.78,331 61.833,332 211,333 4.568,334 4.482,335 7.183,336 4.278,337 3.398,338 4.066,339 3.825,340 11.964,341 3.038,342 4.356,343 4.439,344 7.052,345 4.059,346 3.23,347 3.982,348 3.825,349 11.446,350 2.927,351 4.292,352 3.611,353 6.418,354 3.98,355 2.999,356 3.425,357 1.058,358 9.781,359 2.676,360 3.769,361 2.953,362 5.472,363 3.399,364 2.469,365 3.061,367 7.352,368 2.263,369 3.525,370 2.643,371 4.995,372 3.06,373 2.157,374 2.835,376 5.88,377 1.915,378 3.239,379 2.515,380 4.821,381 2.8,382 1.869,383 2.438,385 5.235,386 1.651,387 2.906,388 1.914,389 4.566,390 2.49,391 1.555,392 2.021,394 4.536,395 1.41,396 2.65,397 1.634,398 4.377,399 2.211,400 1.285,401 1.698,403 3.92,404 1.157,405 2.533,406 1.349,407 3.79,408 2.021,409 1.008,410 1.483,412 2.661,413 1.015,414 1.368,415 0.716,416 2.869,417 0.971,418 0.11,419 0.13,421 0.244,422 0.083,423 1.181,424 0.51,425 2.861,426 0.763,427 -0.221,428 -0.289,430 -0.599,431 -0.208,432 0.756,433 0.51,434 2.786,435 0.333,436 -0.644,437 -0.852,439 -2.023,440 -0.582,441 0.693,442 0.51,443 2.369,444 0.21,445 -0.76,446 -0.969,448 -2.059,449 -0.625,450 0.535,451 0.51,452 2.274,453 0.119,454 -0.886,455 -1,457 -2.504,458 -0.7,459 0.197,460 0.457,461 2,462 -0.231,463 -1,464 -1,466 -2.64,467 -0.7,468 10.995,469 0.44,470 1.211,471 0.048,472 30.25,473 1.21,474 14.5,475 0.58,476 15.75,477 0.63,478 19.441,479 0.778,480 29.205,481 0.885,482 29.436,483 1.177,484 6.487,485 0.259,486 4.889,487 0.196,488 0.282,489 0.091,490 0.318,493 6,496 0.681,497 0.838,498 0.512,499 0.83,500 0.733,501 0.742,502 0.436,503 0.637,504 0.517,505 0.843,506 0.431,507 0.902,508 0.768,509 0.932,510 0.973,511 1.232,512 0.685,513 1.286,514 1.21,515 1.02,516 1.102,517 0.909,518 1.203,519 0.994,520 0.932,521 0.96,522 0.727,523 1.055,524 1.09,525 0.926,526 1.133,527 0.759,528 1.231,529 0.729,530 1.135,531 0.873,532 0.612,533 0.828,534 0.681,535 0.829,536 0.582,537 0.934,538 0.938,539 1.199,540 1.121,541 1.374,542 0.873,543 1.231,544 9.5,545 0.074,546 3.778,547 2.375,548 2.022,549 1.479,550 0.613,551 0.446,552 0.461,553 0.284,554 5782,555 34959,556 1.845,557 24.2,559 6,562 2,567 1.686,568 1.63,569 3.058,570 0.431,577 66.352,578 2.011,579 3.513,580 3.923,581 4.332,582 4.332,583 4.332,584 2.343,585 3.513,586 4.62,587 3.261,588 978.333,589 8.018,590 11882,592 1,595 166.465,596 1.851,597 4.483,598 0.365,599 0.006,600 0.094,601 0.061,602 0.056,603 0.04,604 0.019,605 0.016,606 0.018,607 0.012,608 0.688,609 0.67,610 0.88,611 1.008,612 118.971,613 -0.066,614 -0.003,615 -0.033,616 0.074,617 -0.121,618 0.082,619 0.419,620 0.399,621 0.105,622 0.107,623 0.421,624 -0.089,625 -0.091,626 -0.2,627 -0.147,628 -0.32,629 -0.025,630 -0.309,631 -0.289,632 -0.174,633 -0.127,634 0.013,635 -0.271,636 0.076,637 -0.052,638 -0.116,639 0.149,640 -0.177,641 -0.177,642 -0.025,643 0.157,644 0.521,645 -0.201,646 0.302,647 0.171,648 0.075,649 0.272,650 -0.005,651 0.15,652 0.112,653 0.334,654 0.021,655 -0.115,656 -0.351,657 -0.02,658 -0.367,659 -0.085,660 -0.154,661 6.293,662 5.017,663 0.48,664 18.707,665 1.101,666 1.176,667 4.806,668 23.094,669 0.689,670 3.296,671 3.714,672 3.829,673 4.007,674 4.277,675 4.263,676 4.304,677 4.205,678 4.22,679 4.174,680 5.58,681 0.735,682 383.69,683 3.296,684 4.89,685 5.714,686 6.621,687 7.475,688 8.374,689 9.24,690 10.134,691 11.006,692 11.898,693 3,700 1,709 6,714 6,716 12,723 1,732 1,734 1,735 33,737 13,738 2,739 26,741 34,742 15,743 12,744 6,745 6,746 1,748 2,749 2,750 1,754 2,759 2,762 13,763 2,767 1,772 1,776 1,781 6,783 8,784 9,785 2,786 10,787 1,792 1,797 1,798 2,816 2,843 2,848 1,849 6,851 25,857 1,860 1,865 2,873 7,874 6.1,876 1,877 1,881 15.333,882 5.867,883 5.139,884 1.661,886 2.211,887 1.332,888 0.944,889 5.147,890 8.865,891 3.526,892 4.159,893 4.635,894 5.152,895 5.683,896 5.773,897 6.029,898 6.004,899 6.263,900 6.529,901 1,902 39,903 11.209,905 6.738,906 9.251,907 15.487,909 12.431,911 3.751,912 93.778,916 70.627,917 92.895,918 18.011,919 39.149,920 67.828,921 89.761,923 92.895,924 177.604,925 107.771,927 18.011,928 56.857,929 72.533,930 105.575,932 70.627,933 54.668,934 70.627,935 110.906,936 157.589,937 39.149,939 70.627,940 157.589,943 33.53,944 77.376,945 39.149,947 160.387,948 85.839,949 132.044,952 86.146,953 20.519,954 56.857,955 18.011,956 196.738,957 70.627,958 175.6,959 132.044,961 0.619,962 0.324,963 0.148,964 0.094,965 19,966 11,967 0.059,968 2,970 1,971 3.372,972 202.642,974 12,975 94.587,981 19.262,982 6.68,983 4.729,985 175.6,986 3.977,991 -4.779,993 60.694,994 378.27,995 33,1000 12.017,1004 -1.118,1007 36.342,1008 38.806,1009 0.399,1010 0.696,1011 0.778,1012 0.859,1013 0.859,1014 0.859,1015 4.828,1016 1.285,1017 5.832,1018 4.536,1019 4.394,1020 4.844,1021 3.759,1022 6.732,1023 4.214,1024 6.115,1025 1.008,1026 7.477,1027 3.92,1028 4.511,1029 4.956,1030 4.586,1031 8.111,1032 4.092,1033 7.479,1034 0.11,1035 9.235,1036 2.661,1037 6.192,1038 7.055,1039 6.117,1040 11.05,1041 5.823,1042 8.871,1043 -0.221,1044 11.056,1045 0.244,1046 6.976,1047 7.804,1048 7.382,1049 13.121,1050 6.372,1051 10.286,1052 -0.644,1053 12.915,1054 -0.599,1055 8.313,1056 9.529,1057 8.751,1058 15.722,1059 7.716,1060 11.718,1061 -0.76,1062 14.8,1063 -2.023,1064 9.345,1065 10.57,1066 10.082,1067 18.036,1068 8.557,1069 13.162,1070 -0.886,1071 16.703,1072 -2.059,1073 10.577,1074 12.133,1075 11.427,1076 20.535,1077 9.747,1078 3.398,1079 -1,1080 18.619,1081 -2.504,1082 11.705,1083 13.328,1084 12.767,1085 22.938,1086 10.72,1087 3.23,1088 11.964,1089 20.544,1090 -2.64,1091 12.907,1092 14.81,1093 14.11,1094 25.407,1095 11.847,1096 2.999,1097 11.446,1098 22.477,1099 4.066,1100 14.073,1101 16.09,1102 15.451,1103 27.843,1104 12.881,1105 2.469,1106 9.781,1107 24.416,1108 3.982,1109 15.267,1110 17.53,1111 16.793,1112 30.305,1113 13.983,1114 2.157,1115 7.352,1116 26.358,1117 3.425,1118 16.451,1119 18.857,1120 18.134,1121 32.756,1122 15.046,1123 1.869,1124 5.88,1125 28.304,1126 3.061,1127 17.645,1128 20.274,1129 19.476,1130 35.217,1131 16.14,1132 1.555,1133 5.235,1134 30.253,1135 2.835,1136 18.837,1137 21.63,1138 20.818,1139 37.675,1140 17.217,1141 6021,1142 14928,1143 15.315,1144 22.727,1145 41.025,1146 40.177,1147 41.961,1148 40.538,1149 40.162,1150 50.279,1151 17.418,1152 126.037,1153 36.272,1154 5.409,1155 6.482,1156 6.506,1157 5.291,1158 5.398,1159 7.066,1160 5.335,1161 19.271,1162 5.038,1163 18.581,1164 1.578,1165 1.545,1166 1.614,1167 1.559,1168 1.545,1169 1.934,1170 0.67,1171 4.848,1172 1.395,1173 4.002,1174 4.024,1175 4.03,1176 3.912,1177 8.518,1178 3.919,1179 3.896,1180 3.909,1181 3.935,1182 3.83,1183 8.509,1184 3.831,1185 3.431,1186 3.47,1187 3.493,1188 3.141,1189 7.999,1190 3.181,1191 3.385,1192 3.425,1193 3.475,1194 3.113,1195 7.999,1196 3.179,1197 3.094,1198 3.122,1199 3.258,1200 2.848,1201 7.999,1202 2.88,1203 2.956,1204 2.969,1205 3.041,1206 2.79,1207 7.999,1208 2.79,1209 2.719,1210 2.789,1211 2.615,1212 2.4,1213 7.429,1214 2.467,1215 2.546,1216 2.593,1217 2.438,1218 2.263,1219 6.468,1220 2.3,1221 0.176,1222 0.172,1223 0.276,1224 0.165,1225 0.131,1226 4.568,1227 0.156,1228 4.482,1229 0.147,1230 7.183,1231 0.46,1232 4.278,1233 0.117,1234 3.398,1235 4.066,1236 3.825,1237 11.964,1238 3.038,1239 1.935,1240 1.916,1241 2.001,1242 2.045,1243 1.139,1244 2.03,1245 1.866,1246 1.853,1247 1.933,1248 1.952,1249 1.052,1250 1.949,1251 1.234,1252 1.203,1253 1.345,1254 1.532,1255 0.353,1256 1.46,1257 1.179,1258 1.151,1259 1.224,1260 1.518,1261 0.308,1262 1.414,1263 0.92,1264 0.89,1265 1.111,1266 1.213,1267 0.183,1268 1.139,1269 0.864,1270 0.842,1271 0.999,1272 1.105,1273 0.033,1274 1.085,1275 0.55,1276 0.495,1277 0.796,1278 0.928,1280 0.907,1281 0.433,1282 0.379,1283 0.643,1284 0.773,1286 0.77,1287 3.97,1289 5.361,1291 6.915,1293 8.54,1295 10.205,1298 5.645,1299 76.656,1302 9.572,1305 1.894,1310 -10.085,1314 24.266,1315 66.352,1316 115.936,1317 129.445,1318 142.955,1319 142.955,1320 142.955,1321 109.214,1322 6.654,1323 49.33,1324 49.33,1325 12,1326 12.43,1327 3.807,1328 3,1329 51.356,1330 83,1331 74,1332 0.306,1333 149.686,1334 283.27,1335 356.993,1336 5636,1337 21.2,1338 18.991,1339 0.76,1340 0.509,1341 14.491,1342 12.721,1343 11.375,1344 0.438,1345 0.263,1346 6.303,1347 10.276,1348 6.265,1349 5.07,1350 9.241,1351 6.849,1352 12.471,1353 0.312,1354 0.134,1355 8.964,1356 5.347,1357 8.21,1358 0.182,1359 0.073,1360 6.495,1361 3.284,1362 6.114,1363 0.113,1364 0.039,1365 5.595,1366 2.088,1367 5.365,1368 0.076,1369 0.02,1370 4.164,1371 1.446,1372 0.467,1373 77.489,1374 0.256,1375 23.784,1376 0.877,1377 132,1378 847.088,1379 187.925,1380 679.413,1381 831.42,1382 618,1383 151,1384 522.783,1385 187.696,1386 499.368,1387 765.5,1388 465,1389 5.1}
{0 CHEMBL539474,1 1.577,2 8.048,3 1.541,4 2.374,5 78.274,6 7.815,7 0.458,8 3.719,9 3.833,10 3.342,11 3.276,12 4.811,13 3.273,14 4.277,15 4.437,16 3.743,17 3.705,18 5.363,19 3.682,20 4.531,21 4.732,22 3.735,23 3.799,24 5.612,25 3.741,26 4.508,27 4.721,28 3.609,29 3.716,30 5.64,31 3.652,32 4.355,33 4.582,34 3.39,35 3.59,36 5.408,37 3.492,38 4.219,39 4.45,40 3.196,41 3.389,42 5.247,43 3.284,44 4.056,45 4.302,46 3.042,47 3.134,48 5.106,49 3.045,50 3.836,51 4.066,52 2.957,53 2.969,54 4.901,55 2.92,56 0.031,57 0.556,58 6.689,59 3.074,60 5.159,61 3.893,62 0.195,63 0.938,64 13.294,65 5.244,66 15.071,67 6.978,68 0.299,69 1.107,70 19.342,71 7.118,72 33.599,73 9.407,74 0.316,75 1.026,76 20.027,77 7.032,78 49.139,79 9.152,80 0.233,81 0.885,82 17.072,83 6.491,84 32.587,85 8.701,86 0.199,87 0.755,88 15.125,89 5.661,90 29.953,91 7.621,92 0.281,93 0.633,94 13.534,95 4.389,96 34.362,97 6.12,98 0.193,99 0.531,100 10.289,101 3.156,102 17.475,103 4.34,104 5,105 35,106 0.285,107 0.657,108 0.835,109 0.893,110 0.893,111 0.893,112 3.104,113 0.89,114 -2.43,115 -2.46,116 -2.41,119 44.4,121 2,125 2,142 5,143 1,144 2,151 1,152 1,158 2,172 5,174 1,175 7,178 1,180 1,183 2,187 1,188 6,191 1,193 3,196 1,200 5,205 2,208 4,213 4,216 1,221 8,224 1,225 2,233 4,237 1,241 1,243 2,249 1,250 4,263 1,264 2,276 466,277 14.378,278 14.378,279 14.378,280 14.378,281 14.378,282 12.873,283 22.608,284 8.293,285 14.582,286 11.854,287 11.854,288 11.854,289 11.854,290 11.854,291 9.406,292 30.643,293 3.928,294 12.181,295 3.593,296 1.531,297 0.545,298 0.222,299 0.222,300 0.222,301 3.802,304 1,305 1,306 1,307 380,308 2.236,311 87.049,312 78.22,315 63.631,316 66.749,319 1.383,320 20.312,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 45.5,332 169,333 4.58,334 3.739,335 6.819,336 4.194,337 3.236,338 4.266,339 1.943,340 11.28,341 3.1,342 4.08,343 3.657,344 6.083,345 3.827,346 2.862,347 3.622,348 1.058,349 8.832,350 2.759,351 3.923,352 3.045,353 5.95,354 3.563,355 2.571,356 3.142,357 0.736,358 8.265,359 2.547,360 3.514,361 2.725,362 5.377,363 3.16,364 2.169,365 2.776,366 0.079,367 6.73,368 2.141,369 3.389,370 2.364,371 5.109,372 3.012,373 2.042,374 2.642,376 6.043,377 1.97,378 2.796,379 1.999,380 4.064,381 2.328,382 1.332,383 1.909,385 3.405,386 1.324,387 2.547,388 1.593,389 4.021,390 2.263,391 1.271,392 1.486,394 3.303,395 1.249,396 2.377,397 1.317,398 3.674,399 2.109,400 1.11,401 1.311,403 2.404,404 1.104,405 2.258,406 1.038,407 3.416,408 1.881,409 0.905,410 1.136,412 2.227,413 0.882,414 2.151,415 0.952,416 3.39,417 1.733,418 0.745,419 1.082,421 1.946,422 0.73,423 1.352,424 0.509,425 2.915,426 1.009,427 0.028,428 0.034,430 0.075,431 0.028,432 1.099,433 0.468,434 2.744,435 0.804,436 -0.197,437 -0.249,439 -0.518,440 -0.194,441 0.812,442 0.159,443 2.402,444 0.458,445 -0.567,446 -0.71,448 -1.377,449 -0.568,450 0.508,451 -0.492,452 2.251,453 0.091,454 -0.924,455 -1.153,457 -2.405,458 -0.939,459 0.379,460 -0.649,461 1.779,462 0.017,463 -1,464 -1.428,466 -2.719,467 -1.01,468 9.867,469 0.47,470 0.538,471 0.026,472 28,473 1.333,474 13.5,475 0.643,476 14.5,477 0.69,478 14.437,479 0.687,480 21.933,481 0.609,482 18.647,483 0.888,484 5.457,485 0.26,486 4.763,487 0.227,488 0.068,490 0.385,496 0.679,497 1.374,498 0.706,499 1.037,500 0.484,501 0.896,502 0.652,503 1.211,504 0.818,505 0.991,506 0.491,507 0.932,508 0.966,509 1.032,510 1.011,511 1.032,512 0.922,513 1.025,514 1.281,515 0.954,516 1.054,517 0.928,518 1.265,519 0.948,520 0.88,521 0.872,522 1.022,523 1.009,524 0.866,525 1.036,526 0.919,527 1.014,528 1.042,529 1.124,530 0.986,531 1.116,532 0.99,533 1.033,534 0.976,535 0.949,536 1.142,537 0.967,538 1.148,539 1,540 1.029,541 0.936,542 1.034,543 0.937,544 4,545 0.02,546 2.667,547 1.5,548 1.289,549 0.501,550 0.348,551 0.214,552 0.182,553 0.112,554 4572,555 11979,556 2.185,557 41.7,559 9,560 1,562 1,563 2,564 2,567 1.63,568 2.066,569 3.013,570 -0.291,571 1,572 1,574 1,577 56.759,578 1.577,579 3.639,580 4.625,581 4.948,582 4.948,583 4.948,584 2.453,585 4.392,586 4.367,587 3.183,588 668.459,589 7.472,590 6919.53,591 1,592 1,594 1,595 186.117,596 1.342,597 4.334,598 0.167,599 0.003,600 0.076,601 0.045,602 0.044,603 0.022,604 0.019,605 0.014,606 0.013,607 0.009,608 0.413,609 0.83,610 1,611 0.532,612 93.695,613 -0.044,614 -0.222,615 0.061,616 -0.054,617 -0.015,618 0.007,619 0.094,620 -0.092,621 0.029,622 -0.038,623 0.048,624 -0.021,625 -0.03,626 -0.016,627 -0.071,628 -0.072,629 -0.045,630 -0.077,631 -0.188,632 0.005,633 -0.065,634 0.042,635 -0.106,636 0.017,637 -0.049,638 0.074,639 -0.056,640 -0.015,641 -0.034,642 -0.031,643 -0.018,644 -0.095,645 -0.052,646 -0.134,647 -0.053,648 -0.108,649 0.105,650 -0.106,651 0.073,652 0.002,653 -0.043,654 0.017,655 -0.029,656 0.018,657 -0.011,658 -0.027,659 -0.035,660 -0.008,661 1.762,662 5.021,663 0.857,664 14.98,665 1.007,666 1.122,667 1.196,668 1.43,669 0.68,670 3.219,671 3.584,672 3.912,673 4.22,674 4.394,675 4.522,676 4.663,677 4.86,678 4.927,679 4.92,680 5.086,681 0.657,682 281.34,683 3.219,684 4.779,685 5.659,686 6.561,687 7.455,688 8.36,689 9.259,690 10.166,691 11.068,692 11.976,693 8.3,700 2,701 1,709 6,714 4,715 1,716 11,723 1,735 36,737 13,738 1,739 24,741 39,742 16,743 10,744 3,745 3,746 1,748 4,749 7,757 2,760 2,762 12,763 4,767 2,772 2,776 2,779 1,780 1,783 15,784 4,785 1,786 5,792 3,797 0.5,798 2,811 1,815 2,816 2,819 1,820 1,830 1,843 2,851 21,858 4,860 1,864 1,874 5.6,877 2,881 10.167,882 6.483,883 4.472,884 2.25,886 2.369,887 1.325,888 1.046,889 2.858,890 9.649,891 3.481,892 4.073,893 4.66,894 5.248,895 5.699,896 6.074,897 6.451,898 6.897,899 7.186,900 7.311,901 1,902 33,903 7.798,905 3.47,906 7.81,907 14.959,909 12.9,911 2.31,912 48.5,913 0.001,916 164.795,917 86.574,918 23.034,920 50.29,923 86.574,924 215.085,925 23.034,927 30.416,928 56.429,929 59.699,930 10.598,931 14.528,932 153.024,934 164.795,935 109.608,936 50.29,939 141.253,940 73.832,943 32.315,944 77.294,947 164.795,948 73.324,949 86.574,952 164.795,953 30.146,954 61.452,955 18.011,956 50.29,957 164.795,958 73.324,959 86.574,961 0.593,962 0.359,963 0.199,964 0.097,965 20,966 8,967 0.051,968 2,969 2,970 1.222,971 3.383,972 172.231,973 0.222,974 18,975 92.239,981 12.659,982 4.742,983 2.067,985 71.425,986 11.522,991 3.448,992 1.888,993 18.011,994 324.694,995 31.5,1000 23.721,1004 0.117,1007 36.262,1008 40.405,1009 0.305,1010 0.704,1011 0.895,1012 0.957,1013 0.957,1014 0.957,1015 4.743,1016 1.11,1017 5.659,1018 3.303,1019 4.263,1020 4.758,1021 2.349,1022 6.512,1023 4.209,1024 5.948,1025 0.905,1026 7.242,1027 2.404,1028 3.892,1029 4.59,1030 1.668,1031 7.466,1032 3.805,1033 7.265,1034 0.745,1035 8.924,1036 2.227,1037 5.894,1038 6.917,1039 3.111,1040 10.598,1041 5.769,1042 8.616,1043 0.028,1044 10.665,1045 1.946,1046 6.365,1047 7.594,1048 3.138,1049 12.385,1050 6.195,1051 10.001,1052 -0.197,1053 12.442,1054 0.075,1055 7.824,1056 9.385,1057 4.187,1058 15.032,1059 7.619,1060 11.408,1061 -0.567,1062 14.246,1063 -0.518,1064 8.668,1065 10.448,1066 4.549,1067 17.166,1068 8.413,1069 12.834,1070 -0.924,1071 16.068,1072 -1.377,1073 9.925,1074 12.031,1075 5.408,1076 19.655,1077 9.632,1078 3.236,1079 -1,1080 17.903,1081 -2.405,1082 10.937,1083 13.282,1084 5.925,1085 21.943,1086 10.594,1087 2.862,1088 11.28,1089 19.75,1090 -2.719,1091 12.12,1092 14.78,1093 6.688,1094 24.381,1095 11.736,1096 2.571,1097 8.832,1098 21.606,1099 4.266,1100 13.209,1101 16.125,1102 7.279,1103 26.739,1104 12.776,1105 2.169,1106 8.265,1107 23.47,1108 3.622,1109 14.368,1110 17.588,1111 7.994,1112 29.162,1113 13.892,1114 2.042,1115 6.73,1116 25.34,1117 3.142,1118 15.493,1119 18.981,1120 8.621,1121 31.552,1122 14.969,1123 1.332,1124 6.043,1125 27.216,1126 2.776,1127 16.648,1128 20.431,1129 9.312,1130 33.971,1131 16.079,1132 1.271,1133 3.405,1134 29.097,1135 2.642,1136 17.791,1137 21.849,1138 9.957,1139 36.378,1140 17.175,1141 4264,1142 7001,1143 16.414,1144 24.495,1145 37.056,1146 38.254,1147 37.474,1148 36.526,1149 36.542,1150 46.811,1151 7.633,1152 109.017,1153 35.667,1154 5.509,1155 5.739,1156 6.338,1157 5.264,1158 5.236,1159 7.266,1160 3.352,1161 18.799,1162 5.1,1163 7.864,1164 1.544,1165 1.594,1166 1.561,1167 1.522,1168 1.523,1169 1.95,1170 0.318,1171 4.542,1172 1.486,1173 4.101,1174 4.138,1175 4.065,1176 3.983,1177 7.43,1178 3.997,1179 3.868,1180 3.918,1181 3.787,1182 3.714,1183 7.426,1184 3.723,1185 3.7,1186 3.736,1187 3.623,1188 3.599,1189 4.864,1190 3.6,1191 3.273,1192 3.321,1193 3.208,1194 3.042,1195 4.554,1196 3.068,1197 3.098,1198 3.166,1199 2.961,1200 2.932,1201 4.17,1202 2.936,1203 2.919,1204 2.965,1205 2.78,1206 2.665,1207 3.903,1208 2.679,1209 2.787,1210 2.834,1211 2.67,1212 2.642,1213 3.689,1214 2.643,1215 2.675,1216 2.75,1217 2.511,1218 2.454,1219 3.298,1220 2.46,1221 0.191,1222 0.156,1223 0.284,1224 0.175,1225 0.135,1226 4.58,1227 0.178,1228 3.739,1229 0.081,1230 6.819,1231 0.47,1232 4.194,1233 0.129,1234 3.236,1235 4.266,1236 1.943,1237 11.28,1238 3.1,1239 1.962,1240 1.933,1241 2.043,1242 2.085,1243 1.23,1244 2.072,1245 1.578,1246 1.535,1247 1.836,1248 1.791,1249 1.161,1250 1.79,1251 1.556,1252 1.503,1253 1.687,1254 1.742,1255 0.891,1256 1.747,1257 1.488,1258 1.441,1259 1.661,1260 1.632,1261 0.717,1262 1.642,1263 1.328,1264 1.281,1265 1.484,1266 1.541,1267 0.625,1268 1.529,1269 0.981,1270 0.919,1271 1.228,1272 1.243,1273 0.393,1274 1.228,1275 0.865,1276 0.799,1277 1.159,1278 1.094,1279 0.232,1280 1.128,1281 0.612,1282 0.574,1283 0.879,1284 0.889,1286 0.888,1287 3.892,1289 5.242,1290 3.045,1291 6.783,1292 5.283,1293 8.421,1294 7.273,1295 10.113,1303 3.02,1305 2.915,1309 1.869,1314 23.655,1315 56.759,1316 130.998,1317 166.508,1318 178.117,1319 178.117,1320 178.117,1321 30.072,1322 7.28,1323 57.58,1324 57.58,1325 22,1326 12.493,1327 3.807,1328 3.087,1329 28.077,1330 66,1331 51,1332 0.22,1333 142.558,1334 246.22,1335 339.601,1336 13320,1338 14.397,1339 0.686,1340 0.548,1341 14.397,1342 11.503,1343 10.22,1344 0.426,1345 0.297,1346 7.023,1347 9.835,1348 6.909,1349 5.663,1350 10.22,1351 7.12,1352 9.479,1353 0.271,1354 0.157,1355 9.479,1356 5.488,1357 8.405,1358 0.172,1359 0.084,1360 8.405,1361 4.095,1362 7.342,1363 0.11,1364 0.045,1365 7.342,1366 3.046,1367 5.51,1368 0.069,1369 0.023,1370 5.51,1371 1.851,1372 0.337,1373 63.997,1374 0.247,1375 20.557,1376 0.624,1377 118,1378 337.094,1379 129.645,1380 325.024,1381 447.32,1382 304,1383 143,1384 334.216,1385 155.59,1386 336.246,1387 498.29,1388 318,1389 5.1}
{0 CHEMBL553,1 1.568,2 11.345,3 4.31,4 18.575,5 110.749,6 7.567,7 0.548,8 4.05,9 4.152,10 3.627,11 3.526,12 5.216,13 3.534,14 4.559,15 4.716,16 3.895,17 3.835,18 5.642,19 3.833,20 4.683,21 4.845,22 3.989,23 3.966,24 5.793,25 3.938,26 4.733,27 4.933,28 3.953,29 3.987,30 5.768,31 3.933,32 4.809,33 5.016,34 3.978,35 3.993,36 5.841,37 3.949,38 4.756,39 4.929,40 4.008,41 4.017,42 5.839,43 3.974,44 4.81,45 5.008,46 3.969,47 4.04,48 5.839,49 3.981,50 4.868,51 5.089,52 3.861,53 3.961,54 5.891,55 3.89,56 0.054,57 0.714,58 10.332,59 4.677,60 11.647,61 5.733,62 0.454,63 1.069,64 20.708,65 7.197,66 33.876,67 8.665,68 0.65,69 1.236,70 23.177,71 8.149,72 39.845,73 10.493,74 0.305,75 1.325,76 24.251,77 9.042,78 32.353,79 12.318,80 0.58,81 1.335,82 27.897,83 9.386,84 47.402,85 12.503,86 0.618,87 1.309,88 25.009,89 9.121,90 42.197,91 11.875,92 0.375,93 1.41,94 26.398,95 9.44,96 37.479,97 12.731,98 0.676,99 1.381,100 30.36,101 9.574,102 54.708,103 12.892,104 31,105 40,106 0.261,107 0.608,108 0.734,109 0.816,110 0.822,111 0.828,112 3.408,113 0.881,114 -4.13,115 -4.08,116 -3.86,119 42.3,124 2,125 4,140 1,141 1,142 6,143 2,144 3,146 1,147 1,148 1,172 7,174 1,175 5,178 1,180 3,183 8,187 3,188 5,193 3,196 6,199 1,200 4,203 1,205 3,208 4,212 2,213 4,216 1,218 1,221 5,224 3,225 7,228 1,233 6,237 1,238 6,246 5,249 2,250 6,253 1,258 3,263 2,264 5,267 1,272 1,276 1486,277 20.231,278 20.231,279 20.231,280 20.231,281 20.231,282 18.156,283 25.355,284 12.658,285 21.081,286 15.244,287 15.244,288 15.244,289 15.244,290 15.244,291 11.96,292 33.398,293 5.909,294 16.407,295 4.133,296 2.047,297 1.289,298 0.798,299 0.76,300 0.721,301 4.097,305 1,306 1,307 682,308 3.674,312 246.825,316 132.191,319 1.874,320 25.957,323 1,324 0.83,325 0.83,326 0.8,327 0.5,328 1,329 1,330 0.85,331 63.5,332 329,333 4.576,334 3.304,335 6.586,336 4.1,337 3.136,338 4.513,339 0.86,340 10.539,341 3.024,342 4.143,343 3.021,344 6.058,345 3.703,346 2.742,347 3.734,348 0.86,349 8.765,350 2.658,351 3.986,352 2.877,353 5.609,354 3.548,355 2.592,356 3.488,357 0.86,358 7.719,359 2.446,360 3.608,361 2.47,362 5.22,363 3.101,364 2.143,365 2.885,366 0.86,367 6.393,368 2.053,369 3.385,370 2.413,371 4.889,372 2.865,373 1.923,374 2.648,375 0.4,376 5.548,377 1.814,378 3.041,379 2.207,380 4.525,381 2.663,382 1.762,383 2.233,385 4.576,386 1.568,387 2.914,388 2.059,389 3.977,390 2.505,391 1.618,392 1.891,394 3.444,395 1.426,396 2.818,397 1.888,398 3.619,399 2.411,400 1.492,401 1.789,403 3.079,404 1.361,405 2.628,406 1.506,407 3.536,408 2.221,409 1.285,410 1.631,412 2.753,413 1.213,414 2.615,415 1.335,416 3.495,417 2.144,418 1.202,419 1.513,421 2.621,422 1.113,423 2.511,424 1.278,425 3.163,426 1.633,427 0.757,428 0.885,430 1.559,431 0.658,432 1.926,433 1.081,434 2.853,435 1.539,436 0.705,437 0.853,439 1.184,440 0.584,441 1.758,442 0.574,443 2.832,444 1.43,445 0.431,446 0.731,448 0.629,449 0.43,450 1.433,451 0.527,452 2.673,453 1.114,454 0.201,455 0.233,457 0.434,458 0.182,459 1.182,460 0.247,461 2.599,462 0.824,463 -0.088,464 -0.107,466 -0.191,467 -0.08,468 13.533,469 0.467,470 0.427,471 0.015,472 38.5,473 1.328,474 19.5,475 0.672,476 19,477 0.655,478 21.738,479 0.75,480 31.467,481 0.605,482 30.457,483 1.05,484 8.161,485 0.281,486 6.084,487 0.21,488 0.111,490 0.259,496 0.923,497 1.4,498 0.769,499 1.227,500 0.863,501 1.008,502 1.614,503 0.873,504 1.004,505 0.778,506 1.214,507 0.78,508 1.081,509 1.08,510 0.991,511 0.912,512 0.945,513 0.93,514 0.759,515 1.194,516 0.883,517 1.117,518 0.815,519 1.036,520 1.124,521 0.903,522 0.918,523 0.847,524 0.994,525 0.843,526 0.964,527 1.081,528 0.995,529 1.025,530 0.938,531 1.021,532 0.957,533 1.159,534 1.039,535 1.121,536 0.893,537 1.088,538 1.258,539 0.925,540 1.137,541 0.942,542 1.129,543 0.997,544 4.5,545 0.128,546 2.222,547 1.438,548 1.56,549 0.792,550 0.586,551 0.46,552 0.303,553 0.208,554 9971,555 28979,556 2.053,557 44.2,559 20,560 1,561 1,562 1,567 1.725,568 1.955,569 3.483,570 -0.336,572 1,577 81.519,578 1.568,579 3.653,580 4.412,581 4.902,582 4.941,583 4.979,584 2.957,585 4.858,586 4.82,587 3.63,588 1473.82,589 8.434,590 20207.6,592 1,594 1,595 296.423,596 1.233,597 4.804,598 0.145,599 0.006,600 0.056,601 0.033,602 0.038,603 0.019,604 0.014,605 0.011,606 0.009,607 0.007,608 0.338,609 0.33,610 1,611 1.643,612 147.354,613 -0.043,614 -0.249,615 0.065,616 -0.167,617 -0.038,618 -0.05,619 -0.245,620 0.169,621 -0.022,622 0.2,623 -0.18,624 0.137,625 0.081,626 -0.023,627 -0.039,628 0.074,629 0.011,630 0.006,631 0.037,632 -0.145,633 0.045,634 -0.125,635 0.031,636 -0.055,637 -0.023,638 0.095,639 0.075,640 0.121,641 -0.007,642 0.116,643 0.115,644 -0.045,645 -0.046,646 -0.03,647 0.02,648 -0.066,649 -0.071,650 -0.104,651 -0.1,652 -0.144,653 -0.036,654 -0.126,655 -0.098,656 0.065,657 -0.119,658 -0.004,659 -0.084,660 -0.054,661 1.108,662 2.357,663 0.552,664 32.749,665 1.009,666 1.125,667 2.902,668 8.423,669 0.662,670 3.466,671 3.714,672 3.97,673 4.234,674 4.511,675 4.625,676 4.771,677 4.905,678 5.017,679 5.017,680 6.746,681 0.638,682 393.48,683 3.466,684 4.963,685 5.79,686 6.645,687 7.502,688 8.374,689 9.245,690 10.126,691 11.004,692 11.891,693 5.8,701 1,703 2,708 2,709 7,710 2,714 5,716 17,728 1,733 2,735 52,737 18,738 2,739 31,741 54,742 22,743 14,744 6,745 6,748 3,749 4,761 2,762 14,763 6,780 1,783 23,784 7,785 1,786 7,792 3,797 0.667,798 4,810 1,816 3,820 1,823 1,824 1,842 2,843 2,847 2,851 29,858 4,860 1,861 4,866 1,867 1,872 1,874 7.7,878 2,879 2,881 14.833,882 9.983,883 6.833,884 2.831,886 3.591,887 1.479,888 0.947,889 7.655,890 11.095,891 3.75,892 4.29,893 4.907,894 5.513,895 6.139,896 6.469,897 6.901,898 7.309,899 7.738,900 7.937,901 0.875,902 43,903 10.624,905 4.252,906 7.73,907 20.11,909 15.342,911 2.23,912 64.667,914 1,915 1,916 258.964,917 169.438,918 51.582,920 44,923 169.438,924 302.964,925 51.582,926 21.766,927 18.37,928 56.857,929 67.342,930 69.775,931 54.451,932 235.422,934 258.964,935 221.02,936 44,939 258.964,940 22,941 22,943 47.143,944 123.275,945 50.602,947 258.964,948 95.581,949 169.438,952 258.964,953 41.844,954 87.242,955 35.041,956 100.892,957 258.964,958 95.581,959 169.438,961 0.546,962 0.316,963 0.175,964 0.103,965 16,966 7,967 0.185,968 10,969 1,970 1.125,971 4.043,972 244.412,973 0.125,974 16,975 138.881,981 20.879,982 10.632,983 5.582,984 1.521,985 95.581,986 12.758,987 8.754,991 3.434,993 18.011,994 523.983,995 41.5,1007 52.451,1008 58.485,1009 0.275,1010 0.641,1011 0.774,1012 0.86,1013 0.867,1014 0.873,1015 4.951,1016 1.492,1017 5.727,1018 3.444,1019 4.394,1020 4.977,1021 1.979,1022 6.491,1023 4.274,1024 6.134,1025 1.285,1026 7.245,1027 3.079,1028 3.761,1029 4.691,1031 7.298,1032 3.644,1033 7.424,1034 1.202,1035 8.869,1036 2.753,1037 5.922,1038 7.199,1039 1.691,1040 10.42,1041 5.723,1042 8.754,1043 0.757,1044 10.558,1045 2.621,1046 6.176,1047 7.819,1049 12.095,1050 5.979,1051 10.121,1052 0.705,1053 12.291,1054 1.559,1055 7.736,1056 9.747,1057 1.446,1058 14.709,1059 7.478,1060 11.514,1061 0.431,1062 14.053,1063 1.184,1064 8.432,1065 10.803,1067 16.752,1068 8.162,1069 12.928,1070 0.201,1071 15.837,1072 0.629,1073 9.732,1074 12.484,1075 1.222,1076 19.187,1077 9.415,1078 3.136,1079 -0.088,1080 17.637,1081 0.434,1082 10.649,1083 13.76,1085 21.394,1086 10.308,1087 2.742,1088 10.539,1089 19.449,1090 -0.191,1091 11.838,1092 15.333,1093 1.019,1094 23.766,1095 11.458,1096 2.592,1097 8.765,1098 21.27,1099 4.513,1100 12.863,1101 16.721,1103 26.047,1104 12.452,1105 2.143,1106 7.719,1107 23.1,1108 3.734,1109 14.007,1110 18.248,1111 0.837,1112 28.399,1113 13.561,1114 1.923,1115 6.393,1116 24.937,1117 3.488,1118 15.084,1119 19.693,1121 30.715,1122 14.604,1123 1.762,1124 5.548,1125 26.779,1126 2.885,1127 16.214,1128 21.202,1129 0.677,1130 33.061,1131 15.699,1132 1.618,1133 4.576,1134 28.626,1135 2.648,1136 17.317,1137 22.675,1139 35.394,1140 16.767,1141 9964,1142 17099,1143 20.86,1144 34.449,1145 45.202,1146 45.105,1147 45.844,1148 43.943,1149 43.976,1150 58.054,1151 7.68,1152 118.489,1153 41.063,1154 5.452,1155 5.304,1156 6.497,1157 5.178,1158 5.136,1159 7.513,1160 1.72,1161 17.476,1162 5.024,1163 12.953,1164 1.458,1165 1.455,1166 1.479,1167 1.418,1168 1.419,1169 1.873,1170 0.248,1171 3.822,1172 1.325,1173 4.079,1174 4.107,1175 4.053,1176 3.979,1177 5.448,1178 3.993,1179 3.896,1180 3.921,1181 3.845,1182 3.843,1183 5.1,1184 3.84,1185 3.614,1186 3.652,1187 3.52,1188 3.37,1189 4.78,1190 3.399,1191 3.555,1192 3.597,1193 3.404,1194 3.297,1195 4.671,1196 3.312,1197 3.386,1198 3.432,1199 3.282,1200 3.202,1201 4.66,1202 3.208,1203 3.244,1204 3.285,1205 3.173,1206 3.135,1207 4.566,1208 3.144,1209 3.135,1210 3.21,1211 2.99,1212 2.903,1213 4.327,1214 2.915,1215 3.071,1216 3.163,1217 2.875,1218 2.825,1219 4.091,1220 2.816,1221 0.148,1222 0.107,1223 0.212,1224 0.132,1225 0.101,1226 4.576,1227 0.146,1228 3.304,1229 0.028,1230 6.586,1231 0.34,1232 4.1,1233 0.098,1234 3.136,1235 4.513,1236 0.86,1237 10.539,1238 3.024,1239 2.008,1240 1.986,1241 2.063,1242 2.127,1243 1.189,1244 2.108,1245 1.892,1246 1.87,1247 1.986,1248 1.969,1249 1.065,1250 1.977,1251 1.514,1252 1.471,1253 1.763,1254 1.79,1255 0.979,1256 1.778,1257 1.482,1258 1.432,1259 1.763,1260 1.772,1261 0.971,1262 1.767,1263 1.31,1264 1.265,1265 1.527,1266 1.553,1267 0.561,1268 1.536,1269 1.233,1270 1.195,1271 1.509,1272 1.416,1273 0.557,1274 1.446,1275 1.105,1276 1.021,1277 1.416,1278 1.371,1279 0.418,1280 1.395,1281 1.075,1282 0.978,1283 1.367,1284 1.327,1285 0.225,1286 1.351,1287 4.143,1289 5.407,1291 6.882,1293 8.468,1295 10.116,1297 3.25,1303 1.726,1305 3.3,1306 21.802,1311 5.494,1313 2.629,1314 33.191,1315 81.519,1316 189.959,1317 229.403,1318 254.913,1319 256.913,1320 258.913,1321 45.889,1322 7.504,1323 74.73,1324 74.73,1325 18,1326 12.425,1327 4.248,1328 3.524,1329 52.144,1330 114,1331 130,1332 0.222,1333 206.716,1334 361.14,1335 496.146,1336 18053,1338 20.476,1339 0.706,1340 0.568,1341 20.476,1342 16.475,1343 14.245,1344 0.46,1345 0.294,1346 8.897,1347 13.453,1348 8.657,1349 7.212,1350 14.245,1351 9.108,1352 11.641,1353 0.291,1354 0.152,1355 11.641,1356 6.071,1357 9.67,1358 0.186,1359 0.079,1360 9.67,1361 4.083,1362 7.984,1363 0.117,1364 0.039,1365 7.984,1366 2.683,1367 6.697,1368 0.074,1369 0.02,1370 6.697,1371 1.816,1372 0.345,1373 91.017,1374 0.219,1375 27.527,1376 0.619,1377 142,1378 484.565,1379 159.12,1380 452.573,1381 611.63,1382 428,1383 163,1384 431.547,1385 180.455,1386 439.29,1387 635.11,1388 408,1389 5.05}
{0 CHEMBL554,1 1.816,2 17.4,3 6.255,4 39.126,5 152.448,6 8.805,7 0.636,8 4.306,9 4.395,10 4.109,11 3.908,12 5.446,13 3.881,14 4.829,15 4.958,16 4.397,17 4.268,18 6.123,19 4.239,20 5.076,21 5.243,22 4.42,23 4.346,24 6.269,25 4.299,26 5.076,27 5.278,28 4.34,29 4.305,30 6.187,31 4.234,32 5.025,33 5.23,34 4.277,35 4.306,36 6.114,37 4.221,38 4.952,39 5.129,40 4.381,41 4.311,42 6.078,43 4.24,44 4.986,45 5.172,46 4.433,47 4.32,48 6.18,49 4.243,50 4.938,51 5.12,52 4.341,53 4.213,54 6.171,55 4.146,56 0.16,57 1.011,58 12.31,59 6.42,60 21.401,61 6.763,62 0.486,63 1.617,64 26.002,65 10.989,66 63.858,67 11.764,68 0.911,69 1.929,70 36.244,71 13.271,72 105.739,73 14.463,74 0.861,75 1.894,76 37.427,77 13.509,78 86.989,79 16.077,80 0.9,81 1.805,82 40.185,83 13.57,84 93.378,85 16.058,86 0.663,87 1.655,88 29.907,89 12.198,90 64.253,91 14.715,92 0.713,93 1.742,94 34.463,95 12.827,96 64.704,97 15.491,98 0.726,99 1.618,100 35.717,101 12.338,102 78.312,103 14.109,104 31,105 62,106 0.283,107 0.622,108 0.804,109 0.906,110 0.906,111 0.906,112 3.717,113 1.011,114 -5.1,115 -5,116 -4.68,119 43.9,124 1,125 4,142 12,143 3,144 4,146 1,147 1,148 1,152 2,172 10,174 2,175 8,178 1,180 3,183 11,188 10,191 1,193 3,196 9,200 8,203 3,205 4,208 8,213 3,216 1,218 2,221 10,224 2,225 5,228 1,230 3,233 13,237 3,238 6,243 4,246 9,250 6,255 2,258 8,263 1,264 6,267 2,268 1,269 1,272 5,276 3850,277 26.703,278 26.703,279 26.703,280 26.703,281 26.703,282 22.984,283 28.108,284 15.708,285 27.495,286 21.775,287 21.775,288 21.775,289 21.775,290 21.775,291 16.106,292 40.3,293 7.533,294 23.138,295 4.229,296 2.048,297 0.875,298 0.224,299 0.224,300 0.224,301 4.421,302 1,306 1,307 1499,308 4.301,311 115.698,312 520.673,316 201.137,319 3.11,320 50.596,323 0.75,324 0.67,325 0.67,326 0.5,327 0.5,328 0.67,329 0.5,330 0.61,331 87.833,332 696,333 4.622,334 5.046,335 6.557,336 4.091,337 3.113,338 4.484,339 2.95,340 10.419,341 3.053,342 4.553,343 3.295,344 6.394,345 3.952,346 3.098,347 4.423,348 1.151,349 9.951,350 2.799,351 4.254,352 3.144,353 6.141,354 3.843,355 2.887,356 3.899,357 0.657,358 9.089,359 2.635,360 4.203,361 2.997,362 6.071,363 3.77,364 2.813,365 3.853,366 0.4,367 8.773,368 2.608,369 4.037,370 2.926,371 5.503,372 3.614,373 2.641,374 3.645,376 7.439,377 2.56,378 3.688,379 2.624,380 5.406,381 3.324,382 2.358,383 3.091,385 7.038,386 2.285,387 3.574,388 2.541,389 5.292,390 3.199,391 2.241,392 2.932,394 6.74,395 2.112,396 3.348,397 2.408,398 5.006,399 2.929,400 1.991,401 2.683,403 5.733,404 1.853,405 3.281,406 2.239,407 4.748,408 2.839,409 1.885,410 2.54,412 5.298,413 1.788,414 2.987,415 2.071,416 4.32,417 2.536,418 1.588,419 2.201,421 4.068,422 1.504,423 2.848,424 1.963,425 4.186,426 2.363,427 1.472,428 1.979,430 3.785,431 1.329,432 2.764,433 1.679,434 4.053,435 2.358,436 1.427,437 1.859,439 3.38,440 1.24,441 2.671,442 1.456,443 3.628,444 2.192,445 1.206,446 1.75,448 2.904,449 1.182,450 2.471,451 1.349,452 3.49,453 2.176,454 1.199,455 1.461,457 2.627,458 1.168,459 2.367,460 1.237,461 3.426,462 1.902,463 0.942,464 1.314,466 2.268,467 0.902,468 19.267,469 0.482,470 1.113,471 0.028,472 56,473 1.4,474 30,475 0.75,476 26,477 0.65,478 33.504,479 0.838,480 42.533,481 0.644,482 46.672,483 1.167,484 11.054,485 0.276,486 8.177,487 0.204,488 0.112,489 0.043,490 0.285,494 1,496 0.647,497 1.128,498 0.688,499 1.073,500 0.623,501 0.875,502 0.858,503 1.063,504 0.966,505 1.127,506 0.602,507 0.949,508 1.253,509 1.062,510 1.009,511 0.989,512 1.243,513 1.028,514 0.982,515 0.95,516 0.884,517 0.885,518 0.783,519 0.97,520 0.95,521 0.822,522 1.089,523 0.878,524 0.811,525 0.926,526 0.713,527 0.876,528 0.769,529 0.874,530 0.661,531 0.953,532 0.708,533 0.976,534 0.962,535 0.935,536 0.532,537 0.95,538 1.046,539 1.077,540 1.104,541 1.056,542 0.899,543 1.046,544 9.5,545 0.247,546 4,547 2.035,548 2.117,549 1.153,550 0.772,551 0.813,552 0.45,553 0.353,554 30303,555 99733,556 2.086,557 39.4,559 23,561 1,562 2,567 1.796,568 1.959,569 4.033,570 0.174,577 119.837,578 1.816,579 3.996,580 5.169,581 5.821,582 5.821,583 5.821,584 3.504,585 4.934,586 5.283,587 4.275,588 3334.52,589 9.312,590 61875.3,595 398.93,596 1.479,597 5.251,598 0.216,599 0.006,600 0.065,601 0.034,602 0.039,603 0.022,604 0.014,605 0.014,606 0.009,607 0.009,608 0.428,609 0.17,610 0.63,611 1.173,612 231.191,613 -0.002,614 -0.083,615 0.11,616 -0.042,617 -0.104,618 0.023,619 -0.003,620 -0.054,621 -0.09,622 -0.114,623 0.145,624 -0.033,625 -0.163,626 -0.09,627 -0.129,628 -0.067,629 -0.176,630 -0.099,631 -0.052,632 -0.031,633 -0.005,634 0.017,635 -0.037,636 0.001,637 -0.045,638 0.137,639 -0.085,640 0.081,641 -0.061,642 0.073,643 0.049,644 -0.014,645 0.078,646 0.042,647 -0.026,648 0.021,649 0.093,650 -0.067,651 0.064,652 0.02,653 0.098,654 0.036,655 -0.04,656 -0.117,657 -0.02,658 -0.1,659 0.012,660 -0.064,661 3.936,662 5.431,663 0.675,664 67.613,665 1.019,666 1.121,667 3.87,668 14.981,669 0.703,670 3.807,671 4.143,672 4.344,673 4.595,674 4.82,675 4.92,676 5.075,677 5.257,678 5.429,679 5.533,680 10.081,681 0.677,682 581.11,683 3.807,684 5.361,685 6.192,686 7.069,687 7.916,688 8.795,689 9.651,690 10.531,691 11.394,692 12.276,693 6.1,695 1,701 1,703 2,708 2,709 13,710 2,712 1,714 9,716 28,728 1,733 1,734 2,735 66,737 30,738 3,739 44,741 70,742 29,743 24,744 8,745 10,748 5,749 6,750 1,762 24,763 5,767 2,770 1,772 2,781 1,782 1,783 26,784 9,785 2,786 11,787 2,792 4,797 0.8,798 4,810 1,815 1,816 4,820 1,838 1,843 4,845 1,847 1,848 1,849 1,851 40,854 1,858 4,860 2,861 1,873 2,874 6.1,877 2,879 2,881 20.417,882 12.102,883 8.569,884 3.666,886 5.393,887 1.607,888 1.012,889 8.671,890 14.284,891 4.111,892 4.769,893 5.28,894 5.87,895 6.415,896 6.737,897 7.187,898 7.696,899 8.193,900 8.511,901 0.917,902 59,903 14.909,905 6.547,906 7.934,907 27.822,909 22.939,911 2.434,912 97.361,916 282.506,917 190.209,918 69.593,919 39.149,920 64.82,921 14.96,922 6.046,923 184.163,924 386.475,925 84.553,926 7.19,927 9.703,928 137.772,929 89.655,930 78.847,931 28.186,932 270.735,933 39.149,934 282.506,935 253.756,936 79.78,937 45.195,939 297.467,940 64.82,943 56.488,944 163.697,945 78.766,947 297.467,948 134.413,949 229.358,951 6.046,952 282.506,953 54.639,954 129.524,955 36.022,956 152.5,957 282.506,958 149.373,959 229.358,961 0.587,962 0.317,963 0.165,964 0.089,965 29,966 13,967 0.157,968 11,969 1,970 1.074,971 5.12,972 384.556,973 0.074,974 27,975 210.877,980 1,981 28.063,982 12.359,983 7.595,984 1.531,985 149.373,986 22.46,987 8.797,989 5.974,991 4.748,993 36.022,994 661.237,995 60,998 -3.019,1000 22.593,1007 67.232,1008 74.017,1009 0.3,1010 0.661,1011 0.855,1012 0.963,1013 0.963,1014 0.963,1015 5.347,1016 1.991,1017 6.196,1018 6.74,1019 4.828,1020 5.457,1021 3.102,1022 6.991,1023 4.715,1024 6.587,1025 1.885,1026 7.747,1027 5.733,1028 4.511,1029 5.46,1031 7.978,1032 4.281,1033 7.923,1034 1.588,1035 9.397,1036 5.298,1037 6.45,1038 7.761,1039 5.052,1040 10.949,1041 6.229,1042 9.296,1043 1.472,1044 11.105,1045 4.068,1046 6.909,1047 8.551,1049 12.71,1050 6.57,1051 10.699,1052 1.427,1053 12.85,1054 3.785,1055 8.347,1056 10.36,1057 7.188,1058 15.235,1059 8.009,1060 12.124,1061 1.206,1062 14.619,1063 3.38,1064 9.151,1065 11.502,1067 17.304,1068 8.711,1069 13.564,1070 1.199,1071 16.405,1072 2.904,1073 10.391,1074 13.117,1075 9.348,1076 19.683,1077 9.937,1078 3.113,1079 0.942,1080 18.204,1081 2.627,1082 11.357,1083 14.429,1085 21.884,1086 10.819,1087 3.098,1088 10.419,1089 20.013,1090 2.268,1091 12.516,1092 15.962,1093 11.511,1094 24.214,1095 11.952,1096 2.887,1097 9.951,1098 21.83,1099 4.484,1100 13.558,1101 17.357,1103 26.473,1104 12.927,1105 2.813,1106 9.089,1107 23.653,1108 4.423,1109 14.686,1110 18.857,1111 13.675,1112 28.789,1113 14.023,1114 2.641,1115 8.773,1116 25.482,1117 3.899,1118 15.764,1119 20.294,1121 31.077,1122 15.048,1123 2.358,1124 7.439,1125 27.315,1126 3.853,1127 16.881,1128 21.781,1129 15.838,1130 33.39,1131 16.131,1132 2.241,1133 7.038,1134 29.152,1135 3.645,1136 17.978,1137 23.241,1139 35.693,1140 17.184,1141 28660,1142 52166,1143 29.413,1144 46.421,1145 65.729,1146 68.668,1147 66.391,1148 65.963,1149 65.621,1150 89.227,1151 10.316,1152 188.384,1153 61.69,1154 5.518,1155 7.046,1156 6.203,1157 5.17,1158 5.113,1159 7.484,1160 5.9,1161 17.268,1162 5.053,1163 20.781,1164 1.494,1165 1.561,1166 1.509,1167 1.499,1168 1.491,1169 2.028,1170 0.234,1171 4.281,1172 1.402,1173 4.112,1174 4.135,1175 4.721,1176 4.031,1177 8.201,1178 4.029,1179 3.993,1180 3.968,1181 4.089,1182 3.989,1183 7.715,1184 3.869,1185 3.944,1186 3.959,1187 3.992,1188 3.865,1189 6.999,1190 3.845,1191 3.883,1192 3.898,1193 3.852,1194 3.804,1195 5.124,1196 3.802,1197 3.834,1198 3.848,1199 3.82,1200 3.708,1201 5.008,1202 3.723,1203 3.442,1204 3.508,1205 3.396,1206 3.258,1207 4.963,1208 3.269,1209 3.329,1210 3.389,1211 3.306,1212 3.129,1213 4.661,1214 3.128,1215 3.237,1216 3.284,1217 3.21,1218 3.041,1219 4.422,1220 3.052,1221 0.105,1222 0.115,1223 0.149,1224 0.093,1225 0.071,1226 4.622,1227 0.102,1228 5.046,1229 0.067,1230 6.557,1231 0.237,1232 4.091,1233 0.069,1234 3.113,1235 4.484,1236 2.95,1237 10.419,1238 3.053,1239 2.024,1240 2,1241 2.082,1242 2.128,1243 1.278,1244 2.115,1245 1.907,1246 1.886,1247 2.012,1248 2.007,1249 1.209,1250 2.021,1251 1.845,1252 1.86,1253 1.925,1254 1.952,1255 1.131,1256 2.009,1257 1.831,1258 1.825,1259 1.863,1260 1.928,1261 1.043,1262 1.934,1263 1.58,1264 1.543,1265 1.689,1266 1.758,1267 0.935,1268 1.774,1269 1.475,1270 1.448,1271 1.578,1272 1.652,1273 0.706,1274 1.634,1275 1.254,1276 1.192,1277 1.498,1278 1.466,1279 0.619,1280 1.491,1281 1.189,1282 1.141,1283 1.436,1284 1.436,1285 0.589,1286 1.43,1287 4.489,1289 5.82,1290 2.398,1291 7.324,1292 4.595,1293 8.909,1294 6.581,1295 10.538,1297 1.21,1298 6.467,1299 13.431,1303 1.023,1305 6.374,1306 5.772,1314 44.664,1315 119.837,1316 263.751,1317 341.156,1318 384.175,1319 384.175,1320 384.175,1321 86.039,1322 8.891,1323 106.35,1324 114.73,1325 29,1326 12.815,1327 4.954,1328 4.087,1329 64.222,1330 236,1331 246,1332 0.127,1333 277.749,1334 478.59,1335 669.468,1336 119639,1337 3,1338 28.114,1339 0.703,1340 0.577,1341 27.994,1342 23.098,1343 19.231,1344 0.437,1345 0.337,1346 12.42,1347 17.419,1348 11.923,1349 9.834,1350 20.053,1351 14.834,1352 18.301,1353 0.295,1354 0.192,1355 19.443,1356 11.883,1357 13.964,1358 0.184,1359 0.095,1360 14.461,1361 7.249,1362 11.62,1363 0.119,1364 0.049,1365 11.935,1366 4.777,1367 9.263,1368 0.075,1369 0.025,1370 9.52,1371 3.131,1372 0.208,1373 133.238,1374 0.184,1375 36.86,1376 0.328,1377 212,1378 728.073,1379 279.714,1380 723.579,1381 959.49,1382 670,1383 244,1384 651.272,1385 313.061,1386 690.535,1387 995.65,1388 645,1389 5.05}
{0 CHEMBL558752,1 1.859,2 15.514,3 6.607,4 43.648,5 120.68,6 9.782,7 0.659,8 4.14,9 4.241,10 3.906,11 3.631,12 5.441,13 3.695,14 4.683,15 4.815,16 4.421,17 3.997,18 6.599,19 4.072,20 4.805,21 4.965,22 4.34,23 4.068,24 6.253,25 4.114,26 4.895,27 5.085,28 4.275,29 4.037,30 6.334,31 4.074,32 4.791,33 4.996,34 4.103,35 4.001,36 6.06,37 3.997,38 4.741,39 4.935,40 4.143,41 4.003,42 6.101,43 3.988,44 4.747,45 4.941,46 4.074,47 3.937,48 6.053,49 3.946,50 4.679,51 4.874,52 4.136,53 3.832,54 6.21,55 3.859,56 0.433,57 1.298,58 4.994,59 4.463,60 58,61 3.926,62 1.625,63 2.602,64 13.283,65 7.528,66 256.909,67 6.634,68 1.126,69 2.085,70 15.851,71 8.278,72 96.766,73 8.136,74 1.547,75 2.154,76 21.864,77 9.137,78 163.102,79 8.751,80 1.325,81 1.796,82 22.163,83 9.058,84 161.056,85 9.772,86 1.088,87 1.738,88 18.796,89 8.595,90 93.831,91 10.334,92 1.274,93 1.818,94 20.869,95 9.059,96 151.43,97 9.427,98 1.392,99 1.646,100 18.967,101 7.413,102 127.495,103 8.361,104 54,105 62,106 0.303,107 0.633,108 0.765,109 0.865,110 0.865,111 0.865,112 3.642,113 0.779,114 -4.97,115 -4.87,116 -4.57,119 45.3,124 1,132 2,142 9,143 1,144 3,145 1,146 3,151 1,152 1,161 1,162 1,172 5,174 1,175 8,178 3,180 2,183 6,187 1,188 5,191 1,193 3,196 3,199 2,200 5,205 3,208 4,212 2,213 5,216 1,218 2,221 2,225 6,228 1,233 4,238 5,243 2,246 6,249 1,250 3,255 3,258 4,263 2,264 2,267 1,272 1,276 2716,277 24.01,278 24.01,279 24.01,280 24.01,281 24.01,282 20.926,283 25.984,284 13.55,285 25.018,286 20.258,287 20.258,288 20.258,289 20.258,290 20.258,291 15.539,292 34.25,293 6.477,294 22.116,295 3.869,296 1.842,297 1.034,298 0.42,299 0.42,300 0.42,301 4.34,306 1,307 1245,308 4.416,311 199.753,312 366.296,315 165.703,319 2.662,320 69.66,323 0.75,324 0.83,325 0.83,326 0.3,328 0.83,329 1,330 0.65,331 87,332 574,333 4.63,334 4.461,335 7.121,336 4.188,337 3.334,338 4.586,339 3.825,340 11.714,341 2.998,342 4.5,343 4.46,344 7.111,345 4.173,346 3.314,347 4.058,348 3.825,349 11.657,350 2.892,351 4.438,352 3.274,353 6.694,354 4.124,355 3.188,356 3.836,357 0.86,358 10.796,359 2.872,360 4.19,361 3.073,362 6.171,363 3.808,364 2.874,365 3.644,366 0.4,367 9.192,368 2.645,369 3.923,370 2.824,371 5.703,372 3.536,373 2.603,374 3.34,376 7.873,377 2.417,378 3.798,379 2.66,380 5.498,381 3.403,382 2.468,383 3.148,385 7.351,386 2.279,387 3.615,388 2.352,389 5.256,390 3.15,391 2.206,392 2.992,394 6.508,395 2.067,396 3.269,397 2.1,398 5.002,399 2.816,400 1.891,401 2.533,403 5.764,404 1.738,405 3.149,406 1.957,407 4.764,408 2.647,409 1.725,410 2.443,412 5.08,413 1.593,414 3.08,415 1.814,416 4.677,417 2.605,418 1.669,419 2.285,421 4.872,422 1.525,423 2.895,424 1.697,425 4.561,426 2.465,427 1.538,428 2.008,430 4.585,431 1.388,432 2.695,433 1.345,434 4.067,435 2.179,436 1.243,437 1.78,439 3.148,440 1.157,441 2.5,442 1.024,443 3.58,444 2,445 1,446 1.5,448 2.443,449 1,450 2.379,451 1.002,452 3.479,453 1.868,454 0.932,455 1.328,457 2.275,458 0.864,459 2.248,460 1,461 3.414,462 1.816,463 0.866,464 1.158,466 2.167,467 0.82,468 16.448,469 0.445,470 1.375,471 0.037,472 50.75,473 1.372,474 25,475 0.676,476 25.75,477 0.696,478 28.591,479 0.773,480 40.552,481 0.765,482 46.425,483 1.255,484 10.476,485 0.283,486 6.993,487 0.189,488 0.135,489 0.061,490 0.328,493 6,496 0.64,497 0.992,498 0.548,499 1.029,500 0.615,501 0.848,502 0.472,503 0.706,504 0.574,505 0.901,506 0.351,507 0.851,508 0.705,509 0.837,510 0.843,511 1.046,512 0.505,513 1.053,514 0.981,515 0.909,516 1.155,517 1.001,518 0.9,519 1.111,520 0.792,521 0.758,522 1.037,523 0.888,524 0.759,525 1.027,526 0.408,527 0.564,528 0.767,529 0.971,530 0.358,531 1.09,532 0.889,533 0.891,534 1.015,535 1.021,536 0.773,537 1.083,538 0.571,539 0.683,540 0.832,541 0.883,542 0.642,543 0.988,544 11,545 0.288,546 4.889,547 3.104,548 2.003,549 1.518,550 0.83,551 0.687,552 0.521,553 0.445,554 23805,555 101580,556 2.054,557 30.2,559 12,560 1,561 1,562 2,567 1.776,568 1.881,569 3.885,570 0.269,577 98.521,578 1.859,579 3.886,580 4.694,581 5.308,582 5.308,583 5.308,584 3.357,585 4.736,586 5.178,587 4.124,588 2746.75,589 9.084,590 46955.7,595 303.58,596 1.718,597 5.11,598 0.268,599 0.008,600 0.079,601 0.053,602 0.038,603 0.032,604 0.017,605 0.015,606 0.012,607 0.011,608 0.533,609 0.17,610 0.75,611 0.823,612 207.618,613 -0.073,614 -0.13,615 0.012,616 -0.074,617 -0.112,618 -0.004,619 0.385,620 0.29,621 0.171,622 0.053,623 0.476,624 -0.007,625 -0.032,626 -0.074,627 -0.043,628 -0.131,629 0.05,630 -0.118,631 -0.127,632 -0.043,633 -0.213,634 -0.064,635 -0.103,636 -0.137,637 -0.066,638 0.011,639 -0.068,640 0.076,641 -0.092,642 0.045,643 0.186,644 0.112,645 0.146,646 -0.015,647 0.137,648 -0.004,649 -0.115,650 -0.115,651 -0.032,652 -0.032,653 -0.076,654 0.002,655 0.241,656 0.13,657 0.143,658 0.058,659 0.098,660 0.03,661 5.832,662 4.842,663 0.703,664 49.779,665 1.058,666 1.161,667 3.738,668 13.971,669 0.683,670 3.738,671 4.143,672 4.369,673 4.615,674 4.828,675 4.977,676 5.1,677 5.263,678 5.38,679 5.537,680 9.177,681 0.705,682 518.46,683 3.738,684 5.333,685 6.188,686 7.094,687 7.967,688 8.87,689 9.749,690 10.651,691 11.534,692 12.436,693 11.3,701 3,703 3,708 2,709 11,710 3,711 1,714 8,715 1,716 27,728 1,733 1,735 53,737 27,738 2,739 41,741 57,742 24,743 21,744 5,745 7,748 5,749 6,754 2,759 2,762 21,763 3,781 6,783 16,784 11,785 2,786 13,789 2,792 6,797 0.8,798 1,809 1,815 2,816 3,819 1,843 4,847 1,849 6,851 37,860 1,861 1,865 2,873 6,874 1.9,879 1,881 19.667,882 9.99,883 7.611,884 2.88,886 5.031,887 1.574,888 1.04,889 6.186,890 13.795,891 4.016,892 4.696,893 5.293,894 5.905,895 6.422,896 6.783,897 7.215,898 7.676,899 8.027,900 8.484,901 1,902 59,903 14.567,905 7.298,906 8.491,907 24.38,909 20.04,911 2.991,912 110.667,916 164.795,917 157.754,918 87.052,920 11,921 89.761,923 157.754,924 175.795,925 176.813,926 8.396,928 94.334,929 64.456,930 172.489,931 13.915,932 141.253,933 15.519,934 164.795,935 244.806,936 100.761,939 164.795,940 100.761,943 73.146,944 121.303,945 50.357,947 254.556,948 98.052,949 157.754,952 180.314,953 30.458,954 113.677,955 34.796,956 151.117,957 164.795,958 187.813,959 157.754,961 0.61,962 0.337,963 0.166,964 0.089,965 32,966 15,967 0.088,968 5,969 1,970 1.077,971 4.726,972 359.01,973 0.077,974 26,975 179.24,981 24.82,982 9.222,983 5.313,984 1.275,985 169.128,986 14.794,987 12.061,988 2.459,991 -0.163,992 1.733,993 34.796,994 510.362,995 54.5,1007 56.083,1008 61.559,1009 0.325,1010 0.678,1011 0.82,1012 0.927,1013 0.927,1014 0.927,1015 5.297,1016 1.891,1017 6.252,1018 6.508,1019 4.828,1020 5.384,1021 3.749,1022 7.132,1023 4.66,1024 6.564,1025 1.725,1026 7.869,1027 5.764,1028 4.745,1029 5.352,1030 4.586,1031 8.37,1032 4.369,1033 7.914,1034 1.669,1035 9.595,1036 5.08,1037 6.569,1038 7.656,1039 6.114,1040 11.355,1041 6.208,1042 9.298,1043 1.538,1044 11.385,1045 4.872,1046 7.238,1047 8.385,1048 7.382,1049 13.352,1050 6.661,1051 10.709,1052 1.243,1053 13.216,1054 4.585,1055 8.63,1056 10.213,1057 8.751,1058 15.949,1059 8.036,1060 12.141,1061 1,1062 15.075,1063 3.148,1064 9.599,1065 11.309,1066 10.082,1067 18.224,1068 8.815,1069 13.587,1070 0.932,1071 16.954,1072 2.443,1073 10.848,1074 12.937,1075 11.427,1076 20.709,1077 10.007,1078 3.334,1079 0.866,1080 18.848,1081 2.275,1082 11.941,1083 14.225,1084 12.767,1085 23.087,1086 10.938,1087 3.314,1088 11.714,1089 20.754,1090 2.167,1091 13.142,1092 15.768,1093 14.11,1094 25.54,1095 12.054,1096 3.188,1097 11.657,1098 22.669,1099 4.586,1100 14.287,1101 17.157,1102 15.451,1103 27.957,1104 13.056,1105 2.874,1106 10.796,1107 24.591,1108 4.058,1109 15.474,1110 18.666,1111 16.793,1112 30.403,1113 14.142,1114 2.603,1115 9.192,1116 26.52,1117 3.836,1118 16.642,1119 20.109,1120 18.134,1121 32.837,1122 15.179,1123 2.468,1124 7.873,1125 28.452,1126 3.644,1127 17.826,1128 21.609,1129 19.476,1130 35.282,1131 16.254,1132 2.206,1133 7.351,1134 30.389,1135 3.34,1136 19.005,1137 23.081,1138 20.818,1139 37.724,1140 17.308,1141 22456,1142 46668,1143 26.641,1144 36.205,1145 64.499,1146 62.57,1147 63.997,1148 63.718,1149 63.294,1150 83.578,1151 17.821,1152 194.842,1153 57.953,1154 5.411,1155 6.461,1156 6.668,1157 5.281,1158 5.334,1159 7.586,1160 5.335,1161 18.803,1162 4.998,1163 22.93,1164 1.573,1165 1.526,1166 1.561,1167 1.554,1168 1.544,1169 2.038,1170 0.435,1171 4.752,1172 1.413,1173 4.133,1174 4.174,1175 4.105,1176 4,1177 8.517,1178 4.02,1179 3.993,1180 4.044,1181 3.969,1182 3.84,1183 8.509,1184 3.855,1185 3.918,1186 3.946,1187 3.879,1188 3.828,1189 7.999,1190 3.842,1191 3.75,1192 3.789,1193 3.716,1194 3.579,1195 7.999,1196 3.607,1197 3.478,1198 3.53,1199 3.438,1200 3.285,1201 7.999,1202 3.31,1203 3.317,1204 3.37,1205 3.311,1206 3.028,1207 7.999,1208 3.078,1209 3.248,1210 3.307,1211 3.256,1212 2.893,1213 5.092,1214 2.956,1215 3.028,1216 3.117,1217 2.886,1218 2.831,1219 4.997,1220 2.831,1221 0.113,1222 0.109,1223 0.174,1224 0.102,1225 0.081,1226 4.63,1227 0.112,1228 4.461,1229 0.093,1230 7.121,1231 0.286,1232 4.188,1233 0.073,1234 3.334,1235 4.586,1236 3.825,1237 11.714,1238 2.998,1239 1.926,1240 1.904,1241 2.009,1242 2.047,1243 1.136,1244 2.035,1245 1.904,1246 1.878,1247 1.996,1248 2.014,1249 1.097,1250 2.007,1251 1.812,1252 1.778,1253 1.898,1254 1.947,1255 0.956,1256 1.935,1257 1.502,1258 1.457,1259 1.686,1260 1.76,1261 0.754,1262 1.734,1263 1.497,1264 1.427,1265 1.602,1266 1.748,1267 0.64,1268 1.697,1269 1.287,1270 1.229,1271 1.368,1272 1.566,1273 0.394,1274 1.511,1275 1.136,1276 1.084,1277 1.311,1278 1.456,1279 0.357,1280 1.394,1281 0.989,1282 0.936,1283 1.181,1284 1.254,1285 0.218,1286 1.222,1287 4.419,1289 5.802,1290 3.045,1291 7.352,1292 5.416,1293 8.971,1294 7.535,1295 10.627,1297 1.746,1299 76.921,1305 2.993,1306 5.855,1310 -9.006,1314 37.357,1315 98.521,1316 205.977,1317 248.786,1318 281.315,1319 281.315,1320 281.315,1321 82.394,1322 8.764,1323 80.65,1324 80.65,1325 28,1326 12.96,1327 4.807,1328 3.858,1329 57.142,1330 206,1331 182,1332 0.134,1333 220.842,1334 386.99,1335 530.615,1336 95195,1337 11.3,1338 26.372,1339 0.713,1340 0.509,1341 21.372,1342 18.816,1343 17.469,1344 0.426,1345 0.26,1346 10.358,1347 16.34,1348 10.267,1349 8.401,1350 15.047,1351 10.649,1352 17.942,1353 0.289,1354 0.128,1355 14.026,1356 7.956,1357 13.736,1358 0.176,1359 0.069,1360 11.838,1361 5.399,1362 11.196,1363 0.112,1364 0.036,1365 9.944,1366 3.565,1367 8.793,1368 0.071,1369 0.019,1370 8.087,1371 2.301,1372 0.218,1373 112.888,1374 0.194,1375 34.306,1376 0.349,1377 206,1378 1013.65,1379 256.481,1380 814.754,1381 1064.34,1382 754,1383 243,1384 758.766,1385 282.163,1386 724.807,1387 1103.63,1388 680,1389 5}
{0 CHEMBL560813,1 1.728,2 12.2,3 1.581,4 2.5,5 87.065,6 9.259,7 0.63,8 3.723,9 3.817,10 3.449,11 3.284,12 5.112,13 3.32,14 4.138,15 4.249,16 3.797,17 3.632,18 5.631,19 3.648,20 4.383,21 4.538,22 3.821,23 3.741,24 5.766,25 3.737,26 4.401,27 4.581,28 3.698,29 3.624,30 5.803,31 3.605,32 4.289,33 4.485,34 3.567,35 3.433,36 5.681,37 3.437,38 4.103,39 4.281,40 3.44,41 3.293,42 5.512,43 3.308,44 4.011,45 4.187,46 3.344,47 3.215,48 5.428,49 3.228,50 3.886,51 4.073,52 3.259,53 3.137,54 5.4,55 3.129,56 0.152,57 0.558,58 4.175,59 2.591,60 19.715,61 2.366,62 0.35,63 0.838,64 6.779,65 4.102,66 45.431,67 4.257,68 0.418,69 1.025,70 11.221,71 5.414,72 54.409,73 5.467,74 0.485,75 0.965,76 13.964,77 6.036,78 71.892,79 6.714,80 0.508,81 0.837,82 14.264,83 5.209,84 80.165,85 5.719,86 0.386,87 0.703,88 10.883,89 4.235,90 56.087,91 4.398,92 0.359,93 0.644,94 9.925,95 3.803,96 61.806,97 3.858,98 0.358,99 0.596,100 8.462,101 3.211,102 54.593,103 3.651,104 21,105 37,106 0.305,107 0.661,108 0.798,109 0.904,110 0.914,111 0.914,112 3.266,113 0.791,114 -2.52,115 -2.54,116 -2.49,119 47.2,142 6,143 3,144 1,145 2,146 1,147 1,158 2,159 1,167 1,170 1,172 9,173 1,175 1,178 4,179 1,180 3,183 12,184 2,187 2,188 2,191 1,193 4,196 10,197 2,199 2,200 4,203 1,205 6,208 4,209 2,212 1,213 4,216 1,218 6,221 1,222 2,225 6,228 1,230 5,238 6,243 2,244 1,249 1,250 5,253 2,254 1,255 1,264 4,265 1,270 1,276 924,277 16.765,278 16.765,279 16.765,280 16.765,281 16.765,282 14.411,283 17.325,284 9.842,285 16.997,286 13.266,287 13.266,288 13.266,289 13.266,290 13.266,291 9.577,292 22.325,293 4.624,294 13.645,295 3.442,296 1.431,297 0.653,298 0.056,301 3.948,304 1,305 1,306 1,307 647,308 3.464,312 226.451,316 117.969,319 1.904,320 32.93,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 55.5,332 305,333 4.463,334 4.057,335 6.259,336 3.998,337 3.001,338 4.388,339 2.035,340 9.477,341 2.991,342 4.118,343 3.58,344 5.832,345 3.672,346 2.717,347 3.699,348 1.656,349 7.969,350 2.612,351 3.991,352 3.562,353 5.581,354 3.586,355 2.606,356 3.452,357 1.437,358 7.615,359 2.523,360 3.802,361 2.923,362 5.367,363 3.379,364 2.404,365 3.082,366 0.247,367 6.965,368 2.328,369 3.589,370 2.637,371 5.142,372 3.111,373 2.15,374 2.877,376 6.354,377 2.062,378 3.286,379 2.336,380 4.603,381 2.764,382 1.77,383 2.445,385 4.86,386 1.744,387 3.118,388 2.194,389 4.418,390 2.618,391 1.618,392 2.427,394 4.377,395 1.618,396 2.926,397 1.814,398 3.792,399 2.238,400 1.231,401 1.784,403 2.919,404 1.22,405 2.771,406 1.618,407 3.414,408 1.917,409 1,410 1.5,412 2.275,413 0.915,414 2.5,415 1,416 3.276,417 1.709,418 0.713,419 1.085,421 1.711,422 0.709,423 2.201,424 0.798,425 3.029,426 1.509,427 0.582,428 1.039,430 0.987,431 0.538,432 1.396,433 0.7,434 2.701,435 1.013,436 0.064,437 0.081,439 0.155,440 0.06,441 1.316,442 0.492,443 2.413,444 0.77,445 -0.202,446 -0.292,448 -0.425,449 -0.194,450 0.882,451 0.382,452 2.299,453 0.382,454 -0.618,455 -0.843,457 -1.605,458 -0.61,459 0.826,460 -0.033,461 2.232,462 0.381,463 -0.625,464 -0.927,466 -1.84,467 -0.618,468 11.5,469 0.46,470 0.626,471 0.025,472 39.5,473 1.58,474 23,475 0.92,476 16.5,477 0.66,478 13.541,479 0.542,480 25.1,481 0.697,482 28.704,483 1.148,484 7.99,485 0.32,486 4.056,487 0.162,488 0.122,490 0.348,496 0.841,497 1.155,498 0.66,499 0.863,500 0.658,501 0.736,502 0.442,503 1.025,504 0.727,505 0.986,506 0.428,507 0.954,508 0.911,509 0.969,510 1.073,511 1.062,512 0.787,513 1.098,514 0.943,515 1.053,516 1.08,517 1.195,518 0.935,519 1.195,520 1.186,521 0.954,522 1.047,523 0.984,524 1.156,525 0.98,526 1.26,527 1.017,528 1.06,529 1.043,530 1.126,531 1.006,532 1.331,533 1.108,534 1.099,535 1.009,536 1.25,537 0.994,538 0.776,539 0.843,540 1.007,541 0.87,542 0.747,543 0.97,544 6,545 0.078,546 2.444,547 1.375,548 1.489,549 0.757,550 0.505,551 0.264,552 0.234,553 0.148,554 7707,555 29365,556 2.038,557 30.6,559 6,561 2,562 3,567 1.673,568 1.899,569 3.559,570 1.045,571 1,572 1,574 1,577 62.212,578 1.728,579 3.739,580 4.517,581 5.114,582 5.17,583 5.17,584 3.063,585 4.404,586 4.612,587 3.713,588 1113.84,589 7.942,590 13993.7,591 1,592 1,594 1,595 186.117,596 1.44,597 4.569,598 0.222,599 0.005,600 0.066,601 0.037,602 0.048,603 0.028,604 0.021,605 0.012,606 0.012,607 0.008,608 0.459,609 0.5,610 1,611 0.9,612 123.171,613 -0.161,614 -0.082,615 -0.024,616 0.055,617 -0.095,618 0.061,619 0.266,620 0.035,621 -0.023,622 -0.06,623 0.164,624 -0.119,625 -0.111,626 0.043,627 -0.203,628 -0.109,629 -0.062,630 -0.165,631 -0.017,632 -0.132,633 -0.044,634 -0.185,635 -0.031,636 -0.147,637 -0.109,638 -0.042,639 0.079,640 0.026,641 -0.1,642 0.089,643 -0.186,644 -0.089,645 0.004,646 -0.047,647 -0.111,648 0.017,649 -0.26,650 -0.178,651 -0.046,652 -0.016,653 -0.189,654 0.022,655 0.137,656 0.155,657 0.012,658 0.092,659 0.128,660 0.029,661 2.66,662 4.983,663 0.64,664 24.829,665 1.032,666 1.121,667 1.288,668 1.66,669 0.713,670 3.332,671 3.638,672 3.85,673 4.06,674 4.304,675 4.331,676 4.419,677 4.466,678 4.5,679 4.477,680 6.933,681 0.718,682 333.33,683 3.332,684 4.86,685 5.687,686 6.547,687 7.391,688 8.253,689 9.104,690 9.967,691 10.822,692 11.687,693 13.9,700 2,702 1,703 2,708 2,709 8,710 2,714 4,716 17,718 1,725 1,735 36,737 20,738 2,739 27,741 38,742 17,743 14,744 4,745 6,746 1,748 3,749 4,753 1,761 1,762 16,767 2,772 2,776 2,779 1,780 1,783 11,784 8,785 3,786 8,792 5,797 0.667,798 3,806 1,816 3,820 1,841 1,843 2,851 25,857 1,860 2,866 1,870 1,872 1,874 8.3,876 1,877 2,881 13.167,882 6.55,883 5.556,884 1.91,886 3.513,887 1.494,888 0.969,889 4.559,890 10.629,891 3.701,892 4.29,893 4.868,894 5.445,895 6.045,896 6.337,897 6.712,898 7.026,899 7.289,900 7.32,901 1,902 37,903 9.137,905 3.907,906 8.253,907 16.478,909 12.998,911 2.753,912 68.833,916 94.169,917 112.913,918 100.652,920 92.973,923 112.913,924 187.142,925 100.652,927 36.022,928 56.857,929 167.598,930 62.999,931 6.604,932 70.627,934 94.169,935 213.565,936 92.973,939 94.169,940 92.973,943 87.932,944 92.061,945 33.571,947 94.169,948 193.625,949 112.913,952 94.169,953 21.359,954 74.952,955 52.623,956 157.604,957 94.169,958 193.625,959 112.913,961 0.579,962 0.329,963 0.167,964 0.094,965 17,966 8,967 0.079,968 3,969 1,970 1.125,971 3.776,972 195.491,973 0.125,974 16,975 116.096,981 16.38,982 6.958,983 3.893,984 1.546,985 193.625,986 12.391,987 7.701,991 1.102,993 78.705,994 400.707,995 39.5,1000 22.96,1004 -1.507,1007 37.142,1008 40.365,1009 0.334,1010 0.723,1011 0.874,1012 0.989,1013 1,1014 1,1015 4.922,1016 1.231,1017 5.666,1018 4.377,1019 4.317,1020 4.977,1021 2.902,1022 6.425,1023 4.265,1024 6.149,1025 1,1026 7.197,1027 2.919,1028 3.892,1029 4.783,1030 1.195,1031 7.2,1032 3.834,1033 7.455,1034 0.713,1035 8.817,1036 2.275,1037 5.872,1038 7.201,1039 3.989,1040 10.219,1041 5.773,1042 8.791,1043 0.582,1044 10.488,1045 1.711,1046 6.196,1047 7.792,1048 2.324,1049 11.752,1050 6.096,1051 10.151,1052 0.064,1053 12.189,1054 0.987,1055 7.665,1056 9.695,1057 5.221,1058 14.282,1059 7.531,1060 11.529,1061 -0.202,1062 13.91,1063 0.155,1064 8.346,1065 10.683,1066 3.407,1067 16.161,1068 8.215,1069 12.922,1070 -0.618,1071 15.647,1072 -0.425,1073 9.592,1074 12.355,1075 6.533,1076 18.503,1077 9.437,1078 3.001,1079 -0.625,1080 17.395,1081 -1.605,1082 10.458,1083 13.564,1084 4.464,1085 20.557,1086 10.307,1087 2.717,1088 9.477,1089 19.153,1090 -1.84,1091 11.602,1092 15.124,1093 7.891,1094 22.824,1095 11.436,1096 2.606,1097 7.969,1098 20.918,1099 4.388,1100 12.565,1101 16.455,1102 5.504,1103 24.966,1104 12.403,1105 2.404,1106 7.615,1107 22.69,1108 3.699,1109 13.664,1110 17.962,1111 9.275,1112 27.208,1113 13.494,1114 2.15,1115 6.965,1116 24.467,1117 3.452,1118 14.679,1119 19.36,1120 6.531,1121 29.397,1122 14.513,1123 1.77,1124 6.354,1125 26.249,1126 3.082,1127 15.76,1128 20.845,1129 10.674,1130 31.632,1131 15.591,1132 1.618,1133 4.86,1134 28.036,1135 2.877,1136 16.804,1137 22.278,1138 7.551,1139 33.845,1140 16.639,1141 7528,1142 14809,1143 17.8,1144 25.676,1145 41.346,1146 43.858,1147 41.126,1148 39.649,1149 39.713,1150 55.72,1151 10.749,1152 111.327,1153 38.639,1154 5.328,1155 6.057,1156 5.811,1157 5.066,1158 5.001,1159 7.388,1160 4.069,1161 15.938,1162 4.991,1163 13.218,1164 1.531,1165 1.624,1166 1.523,1167 1.468,1168 1.471,1169 2.064,1170 0.398,1171 4.123,1172 1.431,1173 4.095,1174 4.114,1175 4.054,1176 4.05,1177 7.475,1178 4.048,1179 3.865,1180 3.918,1181 3.837,1182 3.685,1183 7.431,1184 3.717,1185 3.618,1186 3.647,1187 3.574,1188 3.477,1189 6.821,1190 3.491,1191 3.406,1192 3.434,1193 3.373,1194 3.154,1195 6.351,1196 3.204,1197 3.171,1198 3.193,1199 3.125,1200 2.998,1201 4.953,1202 3.003,1203 3.104,1204 3.155,1205 3.033,1206 2.918,1207 4.874,1208 2.955,1209 2.94,1210 2.971,1211 2.86,1212 2.698,1213 4.315,1214 2.746,1215 2.7,1216 2.79,1217 2.576,1218 2.471,1219 4.054,1220 2.488,1221 0.165,1222 0.15,1223 0.232,1224 0.148,1225 0.111,1226 4.463,1227 0.163,1228 4.057,1229 0.075,1230 6.259,1231 0.351,1232 3.998,1233 0.111,1234 3.001,1235 4.388,1236 2.035,1237 9.477,1238 2.991,1239 2.075,1240 2.058,1241 2.149,1242 2.135,1243 1.291,1244 2.14,1245 1.765,1246 1.717,1247 1.831,1248 1.968,1249 0.764,1250 1.932,1251 1.553,1252 1.528,1253 1.666,1254 1.733,1255 0.723,1256 1.704,1257 1.263,1258 1.225,1259 1.372,1260 1.539,1261 0.373,1262 1.487,1263 1.101,1264 1.069,1265 1.288,1266 1.32,1267 0.267,1268 1.293,1269 1.017,1270 0.981,1271 1.129,1272 1.239,1273 0.107,1274 1.218,1275 0.816,1276 0.797,1277 0.984,1278 1.098,1279 0.004,1280 1.072,1281 0.644,1282 0.56,1283 0.942,1284 0.922,1286 0.924,1287 4.007,1289 5.313,1291 6.81,1293 8.392,1295 10.018,1302 8.997,1305 5.152,1312 8.655,1313 1.837,1314 25.832,1315 62.212,1316 134.608,1317 162.608,1318 184.117,1319 186.117,1320 186.117,1321 46.902,1322 7.116,1323 128,1324 128,1325 18,1326 12.236,1327 4.392,1328 3.755,1329 42.134,1330 104,1331 109,1332 0.198,1333 162.491,1334 282.57,1335 388.239,1336 11715,1338 17.811,1339 0.712,1340 0.509,1341 17.811,1342 12.724,1343 12.046,1344 0.446,1345 0.264,1346 7.006,1347 11.53,1348 6.895,1349 5.726,1350 12.046,1351 7.122,1352 10.888,1353 0.294,1354 0.137,1355 10.888,1356 5.06,1357 8.72,1358 0.19,1359 0.073,1360 8.72,1361 3.353,1362 6.952,1363 0.122,1364 0.038,1365 6.952,1366 2.186,1367 5.683,1368 0.078,1369 0.02,1370 5.683,1371 1.488,1372 0.319,1373 76.087,1374 0.237,1375 24.783,1376 0.518,1377 128,1378 467.222,1379 143.107,1380 456.185,1381 602.86,1382 420,1383 147,1384 429.148,1385 160.088,1386 436.418,1387 626.38,1388 408,1389 5.1}
{0 CHEMBL565612,1 1.568,2 10.576,3 3.484,4 12.137,5 126.137,6 7.973,7 0.553,8 4.142,9 4.259,10 3.781,11 3.707,12 5.259,13 3.706,14 4.687,15 4.854,16 4.185,17 4.138,18 5.795,19 4.121,20 4.921,21 5.109,22 4.258,23 4.284,24 5.987,25 4.242,26 4.999,27 5.212,28 4.281,29 4.28,30 6.158,31 4.235,32 4.98,33 5.19,34 4.334,35 4.26,36 6.153,37 4.244,38 4.917,39 5.065,40 4.378,41 4.284,42 6.223,43 4.279,44 5.013,45 5.188,46 4.284,47 4.313,48 6.232,49 4.273,50 5.035,51 5.246,52 4.106,53 4.249,54 6.118,55 4.168,56 0.045,57 0.876,58 9.78,59 4.486,60 7.239,61 5.62,62 0.346,63 1.468,64 19.644,65 7.588,66 23.924,67 9.88,68 0.274,69 1.74,70 26.568,71 10.453,72 30.947,73 13.676,74 0.457,75 1.854,76 30.641,77 11.014,78 72.841,79 15.029,80 0.52,81 1.826,82 30.38,83 10.219,84 53.635,85 13.6,86 0.45,87 1.738,88 24.911,89 9.731,90 52.452,91 11.85,92 0.475,93 1.836,94 29.331,95 10.957,96 70.237,97 13.597,98 0.493,99 1.815,100 32.545,101 11.952,102 73.704,103 15.356,104 10,105 56,106 0.253,107 0.608,108 0.725,109 0.819,110 0.854,111 0.86,112 3.533,113 0.866,114 -3.81,115 -3.77,116 -3.59,119 45.5,124 1,125 4,136 2,142 8,143 3,146 2,150 1,151 1,152 1,158 2,172 11,174 3,175 6,178 2,180 5,183 12,187 1,188 7,193 4,196 10,199 2,200 11,203 1,205 4,208 8,212 3,213 10,216 1,217 1,218 2,221 8,224 2,225 10,228 4,230 5,233 6,237 2,238 13,243 3,246 6,250 8,253 2,255 2,258 6,263 1,264 6,267 1,269 1,272 6,276 1876,277 22.723,278 22.723,279 22.723,280 22.723,281 22.723,282 19.964,283 17.659,284 13.165,285 23.117,286 18.785,287 18.785,288 18.785,289 18.785,290 18.785,291 14.423,292 23.387,293 6.26,294 19.403,295 4.213,296 2.011,297 1.286,298 0.705,299 0.486,300 0.45,301 4.253,305 1,306 1,307 788,308 2.55,311 129.391,312 309.87,315 110.87,316 128.062,319 1.442,320 33.971,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 71,332 349,333 4.785,334 3.836,335 7.159,336 4.391,337 3.397,338 4.623,339 1.2,340 12.545,341 3.375,342 4.539,343 3.303,344 6.661,345 4.07,346 3.099,347 4.477,348 0.8,349 10.735,350 3.019,351 4.285,352 3.199,353 6.323,354 3.838,355 2.869,356 3.901,357 0.8,358 9.55,359 2.79,360 3.905,361 3.047,362 6.074,363 3.642,364 2.698,365 3.237,366 0.8,367 8.775,368 2.519,369 3.564,370 2.92,371 5.659,372 3.195,373 2.269,374 2.904,376 7.191,377 2.192,378 3.393,379 2.586,380 5.157,381 3.182,382 2.193,383 2.677,385 6.091,386 2.07,387 3.355,388 2.358,389 5.045,390 2.962,391 1.975,392 2.416,394 5.954,395 1.939,396 3.166,397 2.006,398 4.867,399 2.694,400 1.667,401 2.326,403 4.876,404 1.697,405 3.046,406 1.667,407 4.504,408 2.518,409 1.554,410 2.312,412 4.27,413 1.501,414 2.946,415 1.546,416 4.394,417 2.507,418 1.546,419 2.125,421 3.961,422 1.482,423 2.839,424 1.463,425 4.11,426 2.319,427 1.324,428 1.898,430 3.45,431 1.314,432 2.638,433 1.349,434 3.725,435 2.244,436 1.289,437 1.672,439 2.957,440 1.226,441 2.544,442 1.146,443 3.601,444 2.054,445 1.069,446 1.526,448 2.663,449 1.049,450 2.276,451 1.136,452 3.563,453 1.967,454 1,455 1.152,457 2.275,458 0.965,459 2,460 0.897,461 3.414,462 1.769,463 0.8,464 1,466 2.099,467 0.773,468 15.567,469 0.472,470 0.833,471 0.025,472 46,473 1.394,474 23,475 0.697,476 23,477 0.697,478 27.02,479 0.819,480 33.633,481 0.612,482 38.417,483 1.164,484 9.165,485 0.278,486 6.933,487 0.21,488 0.075,490 0.405,496 0.752,497 1.343,498 0.703,499 1.003,500 0.535,501 0.865,502 0.75,503 0.914,504 0.802,505 0.801,506 0.512,507 0.794,508 0.933,509 1.099,510 0.898,511 1.013,512 0.849,513 0.957,514 0.796,515 1.077,516 0.835,517 0.949,518 0.646,519 0.897,520 1.067,521 0.863,522 0.777,523 0.749,524 1.006,525 0.709,526 1.234,527 1.132,528 0.951,529 1.078,530 1.433,531 0.996,532 1.392,533 1.115,534 1.153,535 1.11,536 1.538,537 1.1,538 1.328,539 1.052,540 1.202,541 1.121,542 1.505,543 1.15,544 5.5,545 0.138,546 4,547 2.639,548 2.036,549 1.601,550 1.048,551 0.699,552 0.477,553 0.248,554 14350,555 35642,556 2.203,557 40,559 19,560 1,562 2,567 1.762,568 2.084,569 3.334,570 0.192,572 1,577 86.261,578 1.568,579 3.771,580 4.495,581 5.077,582 5.295,583 5.331,584 2.795,585 4.863,586 5.016,587 3.458,588 1825.73,589 8.839,590 25500.1,592 1,595 317.975,596 1.337,597 4.987,598 0.145,599 0.006,600 0.071,601 0.045,602 0.035,603 0.025,604 0.016,605 0.012,606 0.01,607 0.007,608 0.372,609 0.5,610 0.88,611 0.467,612 169.754,613 -0.059,614 -0.204,615 0.059,616 -0.043,617 -0.035,618 0.015,619 0.092,620 0.209,621 0.056,622 0.137,623 0.072,624 0.101,625 -0.059,626 -0.075,627 0.016,628 -0.032,629 -0.023,630 -0.001,631 0.122,632 -0.063,633 0.131,634 0.018,635 0.198,636 0.071,637 0.055,638 0.18,639 0.207,640 0.191,641 0.065,642 0.225,643 0.06,644 -0.068,645 -0.053,646 -0.133,647 0.035,648 -0.118,649 -0.149,650 -0.097,651 -0.213,652 -0.148,653 -0.106,654 -0.182,655 -0.171,656 -0.093,657 -0.207,658 -0.137,659 -0.19,660 -0.176,661 2.103,662 6.12,663 0.909,664 28.511,665 1.006,666 1.122,667 2.584,668 6.676,669 0.692,670 3.664,671 4.043,672 4.407,673 4.771,674 5.063,675 5.231,676 5.455,677 5.652,678 5.793,679 5.9,680 6.158,681 0.669,682 438.53,683 3.664,684 5.242,685 6.138,686 7.057,687 7.973,688 8.901,689 9.827,690 10.759,691 11.689,692 12.623,693 10.9,696 1,699 1,700 1,701 1,703 2,708 4,709 9,710 2,711 1,714 3,716 21,730 1,735 55,737 24,738 2,739 38,741 60,742 25,743 16,744 4,745 8,746 4,748 6,749 8,762 20,763 5,767 3,772 2,776 4,780 1,783 22,784 7,785 2,786 8,792 6,794 1,797 0.667,798 2,810 1,811 1,815 2,816 4,819 1,820 1,835 2,839 1,843 4,847 1,851 33,858 4,860 1,864 2,874 3.6,877 2,881 15.833,882 10.383,883 7.028,884 3.35,886 4.638,887 1.531,888 1.067,889 4.752,890 13.373,891 3.961,892 4.623,893 5.314,894 6.003,895 6.619,896 7.061,897 7.594,898 8.085,899 8.477,900 8.836,901 1,902 59,903 12.282,905 5.505,906 7.722,907 23.447,909 20.12,911 2.222,912 73.333,915 1,916 235.422,917 134.733,918 74.616,920 50.29,923 134.733,924 285.712,925 74.616,926 8.396,927 26.434,928 84.857,929 93.27,930 42.638,931 15.814,932 223.651,934 235.422,935 209.349,936 50.29,939 235.422,940 50.29,943 53.143,944 122.634,945 33.571,947 235.422,948 124.906,949 134.733,952 235.422,953 41.479,954 99.502,955 34.796,956 83.861,957 235.422,958 124.906,959 134.733,961 0.591,962 0.359,963 0.21,964 0.121,965 31,966 13,967 0.05,968 3,969 2,970 1.133,971 4.232,972 347.811,973 0.133,974 30,975 160.465,981 20.101,982 7.802,983 3.323,984 3.27,985 108.12,986 17.137,987 9.66,988 3.206,991 1.751,993 34.796,994 495.061,995 51.5,1000 26.127,1004 -0.221,1007 55.334,1008 61.73,1009 0.271,1010 0.652,1011 0.777,1012 0.878,1013 0.916,1014 0.922,1015 5.227,1016 1.667,1017 6.142,1018 5.954,1019 4.727,1020 5.311,1021 1.957,1022 7.029,1023 4.669,1024 6.458,1025 1.554,1026 7.742,1027 4.876,1028 4.369,1029 5.207,1030 0.57,1031 8.065,1032 4.294,1033 7.793,1034 1.546,1035 9.445,1036 4.27,1037 6.385,1038 7.606,1039 1.93,1040 11.243,1041 6.277,1042 9.168,1043 1.324,1044 11.21,1045 3.961,1046 6.878,1047 8.379,1048 0.479,1049 13.149,1050 6.764,1051 10.58,1052 1.289,1053 13.015,1054 3.45,1055 8.362,1056 10.247,1057 2.084,1058 15.851,1059 8.222,1060 12.02,1061 1.069,1062 14.85,1063 2.957,1064 9.242,1065 11.425,1066 0.346,1067 18.107,1068 9.101,1069 13.48,1070 1,1071 16.706,1072 2.663,1073 10.526,1074 13.08,1075 2.33,1076 20.663,1077 10.369,1078 3.397,1079 0.8,1080 18.578,1081 2.275,1082 11.579,1083 14.443,1084 0.237,1085 23.063,1086 11.422,1087 3.099,1088 12.545,1089 20.463,1090 2.099,1091 12.793,1092 16.011,1093 2.626,1094 25.577,1095 12.626,1096 2.869,1097 10.735,1098 22.358,1099 4.623,1100 13.923,1101 17.457,1102 0.158,1103 28.039,1104 13.755,1105 2.698,1106 9.55,1107 24.262,1108 4.477,1109 15.116,1110 18.99,1111 2.95,1112 30.546,1113 14.942,1114 2.269,1115 8.775,1116 26.173,1117 3.901,1118 16.281,1119 20.473,1120 0.104,1121 33.036,1122 16.106,1123 2.193,1124 7.191,1125 28.09,1126 3.237,1127 17.472,1128 21.994,1129 3.29,1130 35.545,1131 17.293,1132 1.975,1133 6.091,1134 30.012,1135 2.904,1136 18.655,1137 23.494,1138 0.068,1139 38.051,1140 18.474,1141 13114,1142 20877,1143 26.065,1144 38.034,1145 59.177,1146 60.389,1147 60.482,1148 58.457,1149 58.474,1150 77.928,1151 7.2,1152 177.199,1153 56.762,1154 5.785,1155 5.836,1156 6.841,1157 5.466,1158 5.397,1159 7.623,1160 2.4,1161 20.276,1162 5.375,1163 12.907,1164 1.557,1165 1.589,1166 1.592,1167 1.538,1168 1.539,1169 2.051,1170 0.189,1171 4.663,1172 1.494,1173 4.17,1174 4.198,1175 4.141,1176 4.088,1177 7.45,1178 4.097,1179 4.049,1180 4.084,1181 4.015,1182 3.961,1183 7.408,1184 3.969,1185 3.809,1186 3.882,1187 3.74,1188 3.63,1189 5.054,1190 3.65,1191 3.762,1192 3.783,1193 3.688,1194 3.609,1195 4.96,1196 3.62,1197 3.389,1198 3.459,1199 3.31,1200 3.236,1201 4.496,1202 3.242,1203 3.367,1204 3.43,1205 3.27,1206 3.16,1207 4.345,1208 3.188,1209 3.131,1210 3.221,1211 2.99,1212 2.941,1213 4.298,1214 2.917,1215 3.111,1216 3.206,1217 2.874,1218 2.914,1219 4.143,1220 2.91,1221 0.126,1222 0.101,1223 0.188,1224 0.116,1225 0.089,1226 4.785,1227 0.122,1228 3.836,1229 0.032,1230 7.159,1231 0.33,1232 4.391,1233 0.089,1234 3.397,1235 4.623,1236 1.2,1237 12.545,1238 3.375,1239 2.029,1240 2.006,1241 2.093,1242 2.135,1243 1.292,1244 2.122,1245 1.933,1246 1.91,1247 2.025,1248 2.012,1249 1.208,1250 2.018,1251 1.758,1252 1.684,1253 1.969,1254 1.975,1255 1.143,1256 1.98,1257 1.64,1258 1.617,1259 1.72,1260 1.772,1261 0.849,1262 1.758,1263 1.383,1264 1.339,1265 1.564,1266 1.627,1267 0.825,1268 1.586,1269 1.247,1270 1.196,1271 1.513,1272 1.557,1273 0.657,1274 1.527,1275 1.214,1276 1.153,1277 1.475,1278 1.467,1279 0.529,1280 1.461,1281 1.153,1282 1.064,1283 1.343,1284 1.376,1285 0.341,1286 1.429,1287 4.344,1289 5.707,1290 3.045,1291 7.272,1292 5.476,1293 8.929,1294 7.627,1295 10.637,1297 2.094,1303 3.42,1305 2.491,1309 4.399,1314 36.772,1315 86.261,1316 207.392,1317 247.22,1318 279.22,1319 291.22,1320 293.22,1321 54.819,1322 8.736,1323 97.98,1324 97.98,1325 34,1326 13.123,1327 4.644,1328 3.858,1329 42.801,1330 118,1331 147,1332 0.173,1333 219.848,1334 375.2,1335 528.189,1336 83396,1338 22.526,1339 0.683,1340 0.549,1341 22.526,1342 18.13,1343 16.097,1344 0.424,1345 0.289,1346 10.813,1347 15.508,1348 10.593,1349 8.711,1350 16.097,1351 10.97,1352 14.918,1353 0.266,1354 0.151,1355 14.918,1356 8.461,1357 13.305,1358 0.164,1359 0.079,1360 13.305,1361 6.404,1362 12.018,1363 0.103,1364 0.039,1365 12.018,1366 4.619,1367 10.223,1368 0.065,1369 0.021,1370 10.223,1371 3.284,1372 0.262,1373 100.69,1374 0.196,1375 29.718,1376 0.511,1377 188,1378 520.717,1379 204.64,1380 508.935,1381 712.49,1382 478,1383 231,1384 540.709,1385 248.864,1386 549.449,1387 820.52,1388 519,1389 6.9}
{0 CHEMBL572878,1 1.625,2 12.697,3 4.445,4 19.761,5 134.268,6 7.617,7 0.459,8 4.223,9 4.36,10 3.852,11 3.746,12 5.264,13 3.713,14 4.754,15 4.955,16 4.209,17 4.106,18 5.761,19 4.045,20 4.954,21 5.18,22 4.195,23 4.222,24 5.917,25 4.121,26 5.007,27 5.26,28 4.138,29 4.196,30 5.957,31 4.072,32 4.907,33 5.156,34 4.169,35 4.155,36 5.872,37 4.06,38 4.828,39 5.024,40 4.211,41 4.193,42 5.828,43 4.088,44 4.877,45 5.098,46 4.185,47 4.188,48 5.82,49 4.069,50 4.879,51 5.109,52 4.1,53 4.188,54 5.766,55 4.061,56 0.058,57 1.019,58 13.326,59 5.246,60 8.981,61 7.112,62 0.337,63 1.582,64 26.662,65 8.349,66 28.572,67 11.98,68 0.383,69 1.783,70 34.938,71 10.824,72 36.022,73 14.782,74 0.476,75 1.767,76 39.027,77 11.848,78 54.352,79 16.633,80 0.399,81 1.668,82 35.152,83 10.423,84 44.42,85 14.572,86 0.305,87 1.694,88 33.497,89 10.442,90 33.706,91 13.463,92 0.467,93 1.725,94 36.591,95 10.82,96 34.713,97 14.386,98 0.214,99 1.664,100 32.442,101 11.143,102 27.062,103 15.27,104 10,105 52,106 0.261,107 0.597,108 0.766,109 0.828,110 0.828,111 0.828,112 3.532,113 0.976,114 -5.31,115 -5.2,116 -4.86,119 37.7,120 1,121 2,122 1,124 1,125 4,142 6,144 2,147 3,150 1,152 1,158 1,168 1,172 5,174 2,175 7,178 3,180 7,183 5,187 1,188 3,192 1,193 4,196 4,199 2,200 9,203 2,205 2,208 4,212 1,213 7,216 1,218 2,221 6,224 2,225 6,230 2,233 8,237 1,238 4,241 5,243 3,246 3,250 4,258 5,263 3,264 7,267 1,268 1,269 3,272 2,276 2224,277 22.375,278 22.375,279 22.375,280 22.375,281 22.375,282 20.203,283 36.777,284 13.122,285 23.1,286 18.315,287 18.315,288 18.315,289 18.315,290 18.315,291 14.949,292 58.816,293 6.359,294 19.516,295 4.306,296 2.217,297 1.164,298 0.779,299 0.779,300 0.779,301 4.231,306 1,307 927,308 3.317,309 72.439,311 100.105,312 349.914,319 1.967,320 24.624,323 1,324 0.67,325 1,326 1,327 1,328 1,329 1,330 0.95,331 71,332 419,333 4.296,334 4.555,335 6.219,336 3.918,337 2.984,338 3.915,339 2.95,340 9.411,341 2.913,342 4.12,343 3.735,344 6.118,345 3.897,346 2.914,347 3.699,348 1.907,349 8.907,350 2.739,351 4.076,352 3.235,353 5.696,354 3.665,355 2.721,356 3.637,357 0.8,358 7.983,359 2.57,360 3.943,361 3.028,362 5.581,363 3.594,364 2.66,365 3.172,366 0.8,367 7.678,368 2.505,369 3.693,370 2.884,371 5.379,372 3.413,373 2.481,374 2.896,375 0.4,376 7.062,377 2.291,378 3.5,379 2.628,380 5.177,381 3.162,382 2.251,383 2.761,384 0.149,385 6.512,386 2.027,387 3.32,388 2.511,389 5.019,390 3.097,391 2.176,392 2.502,394 6.016,395 1.996,396 3.23,397 2.424,398 4.854,399 2.839,400 1.918,401 2.339,403 5.566,404 1.749,405 2.999,406 2.266,407 4.523,408 2.585,409 1.643,410 2.164,412 4.641,413 1.544,414 2.827,415 1.902,416 4.241,417 2.497,418 1.485,419 1.806,421 3.873,422 1.478,423 2.525,424 1.496,425 4.212,426 2.22,427 1.296,428 1.529,430 3.71,431 1.194,432 2.5,433 1.146,434 3.414,435 2,436 1,437 1.5,439 2.275,440 1,441 2.207,442 1.035,443 3.414,444 1.967,445 1,446 1.069,448 2.275,449 0.965,450 2,451 1,452 3.274,453 1.713,454 0.73,455 1,457 1.735,458 0.716,459 1.524,460 0.772,461 3.035,462 1.145,463 0.243,464 0.294,466 0.623,467 0.213,468 15.867,469 0.481,470 0.831,471 0.025,472 42.25,473 1.28,474 19.5,475 0.591,476 22.75,477 0.689,478 29.594,479 0.897,480 35.733,481 0.586,482 31.31,483 0.949,484 7.95,485 0.241,486 8.063,487 0.244,488 0.084,490 0.334,496 0.846,497 1.424,498 0.766,499 1.035,500 0.61,501 0.965,502 0.844,503 1.167,504 0.835,505 0.974,506 0.529,507 0.932,508 1.259,509 1.066,510 1.108,511 1.013,512 1.154,513 1.008,514 1.025,515 0.973,516 0.987,517 0.99,518 1.167,519 0.955,520 1.077,521 0.918,522 0.916,523 0.826,524 1.004,525 0.76,526 1.123,527 1.263,528 1.39,529 1.299,530 0.981,531 1.1,532 0.858,533 1.033,534 1.346,535 1.267,536 0.643,537 1.09,538 0.802,539 1.164,540 1.033,541 1.101,542 0.55,543 1.055,544 8,545 0.237,546 2.5,547 2.201,548 1.293,549 1.042,550 0.754,551 0.535,552 0.315,553 0.309,554 17151,555 40945,556 2.15,557 45.9,558 4,559 17,562 3,563 4,567 1.755,568 2.041,569 3.619,570 0.892,577 99.127,578 1.625,579 3.714,580 4.766,581 5.152,582 5.152,583 5.152,584 3.068,585 4.378,586 5.01,587 3.837,588 2025.97,589 8.795,590 31258.6,595 361.775,596 1.301,597 4.989,598 0.216,599 0.007,600 0.051,601 0.047,602 0.03,603 0.022,604 0.016,605 0.012,606 0.007,607 0.008,608 0.417,609 0.17,610 0.75,611 0.467,612 176.508,613 -0.01,614 -0.188,615 0.077,616 -0.02,617 -0.007,618 0.006,619 0.139,620 -0.033,621 0.116,622 0.01,623 0.159,624 0.02,625 -0.162,626 0.003,627 -0.073,628 -0.002,629 -0.114,630 -0.049,631 0.017,632 0.004,633 0.057,634 0.025,635 -0.013,636 0.033,637 -0.045,638 0.101,639 0.152,640 0.198,641 -0.001,642 0.219,643 -0.129,644 -0.104,645 -0.135,646 -0.1,647 -0.103,648 -0.104,649 0.05,650 0.097,651 -0.104,652 -0.1,653 -0.06,654 -0.096,655 -0.062,656 -0.122,657 -0.004,658 -0.032,659 -0.02,660 -0.039,661 1.553,662 4.99,663 0.788,664 40.854,665 1.001,666 1.136,667 4.08,668 16.644,669 0.668,670 3.638,671 3.97,672 4.159,673 4.407,674 4.595,675 4.682,676 4.844,677 5.024,678 5.159,679 5.278,680 7.753,681 0.629,682 464.66,683 3.638,684 5.187,685 6.028,686 6.901,687 7.753,688 8.627,689 9.484,690 10.359,691 11.219,692 12.094,693 13.1,696 1,699 1,700 1,701 2,703 3,709 6,710 3,711 1,714 7,716 17,728 1,730 1,735 61,737 18,738 1,739 37,741 65,742 23,743 13,744 2,745 4,748 5,749 5,754 1,757 2,758 1,760 2,762 14,763 9,764 1,767 1,772 1,776 1,783 28,784 8,785 3,786 10,787 1,792 8,797 1,798 1,807 1,810 1,813 1,815 1,816 3,829 1,839 1,843 5,844 1,845 1,847 2,851 33,858 6,860 2,862 1,863 1,864 2,874 1.6,877 1,881 16.167,882 11.417,883 7.056,884 3.693,886 2.816,887 1.358,888 1.006,889 6.649,890 10.683,891 3.861,892 4.422,893 4.882,894 5.42,895 5.838,896 6.062,897 6.481,898 6.912,899 7.276,900 7.623,901 1,902 47,903 12.207,905 5.202,906 7.591,907 23.779,909 19.859,911 2.091,912 69,916 294.278,917 139.236,918 109.167,920 25.145,922 32.22,923 107.017,924 319.422,925 109.167,926 17.222,927 31.503,928 56.857,929 80.084,930 45.23,931 10.434,932 326.497,934 294.278,935 216.184,936 25.145,937 32.22,939 294.278,940 25.145,943 78.819,944 87.131,945 50.234,946 32.22,947 294.278,948 134.312,949 139.236,952 294.278,953 65.157,954 80.328,955 52.685,956 75.379,957 294.278,958 134.312,959 139.236,961 0.587,962 0.316,963 0.165,964 0.088,965 26,966 11,967 0.108,968 7,970 1,971 4.587,972 303.604,974 26,975 156.465,977 1,981 22.356,982 9.816,983 6.121,985 117.649,986 11.763,987 13.842,988 2.949,991 5.813,993 52.685,994 567.826,995 46.5,1000 11.99,1004 0.114,1007 61.054,1008 69.268,1009 0.274,1010 0.626,1011 0.804,1012 0.869,1013 0.869,1014 0.869,1015 5.113,1016 1.918,1017 6.009,1018 6.016,1019 4.654,1020 5.109,1021 3.284,1022 6.774,1023 4.534,1024 6.305,1025 1.643,1026 7.54,1027 5.566,1028 4.29,1029 4.879,1030 1.738,1031 7.564,1032 4.114,1033 7.596,1034 1.485,1035 9.158,1036 4.641,1037 6.232,1038 7.194,1039 5.14,1040 10.572,1041 5.999,1042 8.911,1043 1.296,1044 10.825,1045 3.873,1046 6.594,1047 7.692,1048 3.061,1049 12.103,1050 6.317,1051 10.251,1052 1,1053 12.521,1054 3.71,1055 8.043,1056 9.528,1057 7.226,1058 14.633,1059 7.715,1060 11.607,1061 1,1062 14.238,1063 2.275,1064 8.746,1065 10.383,1066 4.414,1067 16.504,1068 8.384,1069 12.976,1070 0.73,1071 15.97,1072 2.275,1073 9.981,1074 11.996,1075 9.364,1076 18.844,1077 9.574,1078 2.984,1079 0.243,1080 17.714,1081 1.735,1082 10.859,1083 13.049,1084 5.75,1085 20.885,1086 10.421,1087 2.914,1088 9.411,1089 19.467,1090 0.623,1091 11.997,1092 14.545,1093 11.518,1094 23.146,1095 11.519,1096 2.721,1097 8.907,1098 21.228,1099 3.915,1100 12.964,1101 15.712,1102 7.068,1103 25.272,1104 12.457,1105 2.66,1106 7.983,1107 22.996,1108 3.699,1109 14.058,1110 17.142,1111 13.678,1112 27.502,1113 13.516,1114 2.481,1115 7.678,1116 24.77,1117 3.637,1118 15.073,1119 18.377,1120 8.374,1121 29.673,1122 14.502,1123 2.251,1124 7.062,1125 26.549,1126 3.172,1127 16.149,1128 19.77,1129 15.84,1130 31.892,1131 15.546,1132 2.176,1133 6.512,1134 28.332,1135 2.896,1136 17.189,1137 21.046,1138 9.674,1139 34.087,1140 16.558,1141 15830,1142 24682,1143 25.255,1144 40.762,1145 55.819,1146 58.537,1147 56.152,1148 55.046,1149 55.005,1150 68.565,1151 14.012,1152 156.537,1153 51.804,1154 5.296,1155 6.555,1156 5.633,1157 5.07,1158 4.984,1159 6.915,1160 5.9,1161 15.729,1162 4.913,1163 13.885,1164 1.509,1165 1.582,1166 1.518,1167 1.488,1168 1.487,1169 1.853,1170 0.379,1171 4.231,1172 1.4,1173 4.008,1174 4.06,1175 4.088,1176 3.907,1177 7.428,1178 3.894,1179 3.935,1180 3.984,1181 3.883,1182 3.782,1183 5.054,1184 3.793,1185 3.868,1186 3.934,1187 3.827,1188 3.755,1189 4.914,1190 3.752,1191 3.83,1192 3.87,1193 3.761,1194 3.666,1195 4.72,1196 3.686,1197 3.682,1198 3.748,1199 3.619,1200 3.503,1201 4.373,1202 3.511,1203 3.208,1204 3.302,1205 3.346,1206 3.073,1207 4.212,1208 3.029,1209 3.189,1210 3.249,1211 3.037,1212 2.941,1213 4.07,1214 2.936,1215 3.111,1216 3.206,1217 3.006,1218 2.93,1219 3.92,1220 2.91,1221 0.116,1222 0.123,1223 0.168,1224 0.106,1225 0.081,1226 4.296,1227 0.106,1228 4.555,1229 0.08,1230 6.219,1231 0.254,1232 3.918,1233 0.079,1234 2.984,1235 3.915,1236 2.95,1237 9.411,1238 2.913,1239 1.896,1240 1.872,1241 1.997,1242 2.049,1243 1.29,1244 2.039,1245 1.824,1246 1.766,1247 1.971,1248 1.972,1249 1.089,1250 1.981,1251 1.662,1252 1.601,1253 1.81,1254 1.869,1255 0.897,1256 1.851,1257 1.573,1258 1.516,1259 1.744,1260 1.786,1261 0.846,1262 1.783,1263 1.392,1264 1.362,1265 1.548,1266 1.611,1267 0.825,1268 1.589,1269 1.286,1270 1.204,1271 1.533,1272 1.579,1273 0.825,1274 1.55,1275 1.153,1276 1.064,1277 1.513,1278 1.427,1279 0.803,1280 1.448,1281 1.153,1282 1.064,1283 1.513,1284 1.376,1285 0.623,1286 1.429,1287 4.317,1288 1.946,1289 5.645,1290 3.932,1291 7.146,1292 5.82,1293 8.721,1294 7.63,1295 10.336,1297 4.105,1303 5.843,1305 6.274,1307 1.502,1308 0.189,1309 4.617,1314 38.341,1315 99.127,1316 226.535,1317 290.755,1318 314.265,1319 314.265,1320 314.265,1321 48.478,1322 7.867,1323 102.07,1324 127.37,1325 26,1326 12.637,1327 4.248,1328 3.392,1329 47.709,1330 148,1331 162,1332 0.149,1333 237.562,1334 403.5,1335 571.412,1336 28604,1338 22.786,1339 0.69,1340 0.596,1341 23.139,1342 19.653,1343 16.013,1344 0.433,1345 0.325,1346 11.12,1347 14.889,1348 10.765,1349 8.913,1350 16.421,1351 12.037,1352 14.912,1353 0.287,1354 0.186,1355 15.607,1356 9.676,1357 11.612,1358 0.184,1359 0.101,1360 12.316,1361 6.345,1362 9.615,1363 0.119,1364 0.053,1365 10.408,1366 4.318,1367 7.449,1368 0.076,1369 0.031,1370 8.286,1371 2.992,1372 0.236,1373 104.552,1374 0.199,1375 31.013,1376 0.402,1377 178,1378 481.82,1379 222.991,1380 491.773,1381 682.75,1382 462,1383 207,1384 501.549,1385 245.856,1386 522.965,1387 762.14,1388 491,1389 5.6}
{0 CHEMBL572881,1 1.481,2 11.607,3 2.721,4 7.405,5 112.492,6 7.324,7 0.581,8 4.026,9 4.158,10 3.583,11 3.584,12 5.127,13 3.56,14 4.543,15 4.722,16 3.947,17 3.989,18 5.597,19 3.943,20 4.804,21 5.002,22 3.986,23 4.133,24 5.824,25 4.048,26 4.944,27 5.207,28 3.872,29 4.072,30 5.953,31 3.953,32 4.791,33 5.051,34 3.727,35 3.926,36 5.79,37 3.819,38 4.617,39 4.86,40 3.735,41 3.836,42 5.672,43 3.762,44 4.517,45 4.719,46 3.767,47 3.836,48 5.639,49 3.782,50 4.591,51 4.81,52 3.688,53 3.821,54 5.705,55 3.736,56 0.04,57 0.782,58 10.48,59 4.319,60 8.837,61 5.92,62 0.184,63 1.248,64 19.045,65 7.308,66 22.805,67 10.274,68 0.136,69 1.538,70 25.469,71 9.702,72 26.884,73 13.703,74 0.465,75 1.622,76 32.551,77 10.79,78 57.557,79 15.809,80 0.314,81 1.36,82 28.07,83 9.36,84 48.465,85 13.434,86 0.287,87 1.179,88 23.119,89 7.743,90 40.926,91 11.076,92 0.197,93 1.146,94 19.533,95 6.735,96 31.198,97 9.43,98 0.234,99 1.158,100 21.817,101 7.857,102 41.779,103 10.85,104 10,105 44,106 0.247,107 0.6,108 0.767,109 0.84,110 0.849,111 0.849,112 3.374,113 0.9,114 -4.02,115 -3.97,116 -3.76,119 43.1,120 2,123 1,125 2,142 7,143 3,144 2,145 3,147 1,158 1,172 9,175 5,178 2,180 8,183 9,188 3,193 8,196 5,199 1,200 4,203 2,204 2,205 4,208 7,213 3,216 1,218 1,221 6,225 4,228 1,230 6,233 7,237 1,238 5,243 4,246 5,250 4,253 1,254 1,255 2,258 6,263 1,264 2,267 1,269 1,272 8,276 1276,277 18.886,278 18.886,279 18.886,280 18.886,281 18.886,282 16.606,283 27.538,284 11.14,285 19.161,286 15.315,287 15.315,288 15.315,289 15.315,290 15.315,291 11.861,292 44.521,293 5.303,294 15.732,295 4.191,296 2.071,297 1.072,298 0.633,299 0.579,300 0.579,301 4.071,305 1,306 1,307 711,308 3.464,311 67.027,312 258.362,315 115.361,319 1.893,320 21.663,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 59.5,332 325,333 4.62,334 3.691,335 7.414,336 4.461,337 3.468,338 4.097,339 1.058,340 12.923,341 3.444,342 4.343,343 3.599,344 6.456,345 3.983,346 3,347 3.938,348 0.657,349 9.967,350 2.948,351 3.903,352 2.84,353 5.753,354 3.555,355 2.581,356 3.442,357 0.4,358 7.943,359 2.516,360 3.866,361 2.65,362 5.364,363 3.49,364 2.501,365 3.207,367 6.992,368 2.472,369 3.436,370 2.551,371 5.273,372 3.086,373 2.119,374 2.651,376 6.511,377 2.039,378 3.176,379 2.121,380 4.891,381 2.802,382 1.829,383 2.356,385 5.299,386 1.772,387 2.975,388 1.707,389 4.478,390 2.52,391 1.563,392 2.157,394 3.961,395 1.495,396 2.861,397 1.594,398 3.899,399 2.418,400 1.441,401 2.017,403 3.345,404 1.405,405 2.796,406 1.483,407 3.625,408 2.367,409 1.414,410 1.899,412 3.056,413 1.343,414 2.538,415 1.312,416 3.572,417 2.003,418 1.021,419 1.5,421 2.548,422 0.995,423 2.5,424 1,425 3.417,426 1.984,427 1,428 1.492,430 2.136,431 0.983,432 1.885,433 0.886,434 3.247,435 1.658,436 0.703,437 0.809,439 1.687,440 0.67,441 1.849,442 0.805,443 3.076,444 1.554,445 0.618,446 0.736,448 1.424,449 0.577,450 1.242,451 0.515,452 2.836,453 0.914,454 -0.066,455 -0.081,457 -0.176,458 -0.064,459 1.019,460 -0.033,461 2.601,462 0.638,463 -0.337,464 -0.424,466 -0.809,467 -0.327,468 13.333,469 0.476,470 0.731,471 0.026,472 39.25,473 1.402,474 21,475 0.75,476 18.25,477 0.652,478 21.429,479 0.765,480 29.267,481 0.574,482 28.421,483 1.015,484 7.608,485 0.272,486 5.919,487 0.211,488 0.1,489 0.038,490 0.263,496 0.851,497 1.272,498 0.813,499 1.011,500 0.646,501 0.917,502 0.772,503 1.068,504 0.839,505 0.937,506 0.592,507 0.896,508 0.956,509 1.36,510 1.083,511 1.279,512 0.876,513 1.21,514 0.96,515 0.914,516 1.017,517 0.985,518 0.922,519 1.001,520 1.313,521 0.914,522 0.994,523 0.919,524 1.495,525 0.922,526 1.279,527 0.903,528 0.859,529 0.788,530 1.47,531 0.78,532 1.338,533 1.044,534 1.029,535 0.992,536 1.323,537 0.969,538 1.328,539 1.077,540 1.05,541 1.104,542 1.683,543 1.067,544 6,545 0.119,546 3.556,547 2.264,548 1.062,549 0.934,550 0.409,551 0.395,552 0.302,553 0.217,554 10560,555 24984,556 2.106,557 45.1,558 6,559 11,561 3,562 3,567 1.709,568 1.988,569 3.504,570 0.882,571 1,572 1,577 75.535,578 1.481,579 3.602,580 4.6,581 5.04,582 5.094,583 5.094,584 2.968,585 4.45,586 4.779,587 3.68,588 1391.12,589 8.303,590 18665.1,592 1,594 1,595 289.294,596 1.454,597 4.74,598 0.194,599 0.006,600 0.081,601 0.053,602 0.029,603 0.029,604 0.012,605 0.011,606 0.01,607 0.009,608 0.433,609 0.33,610 1,611 0.517,612 141.664,613 -0.068,614 -0.095,615 0.042,616 0.008,617 -0.06,618 0.035,619 0.08,620 0.044,621 0.066,622 0.06,623 0.081,624 0.062,625 -0.069,626 -0.317,627 -0.158,628 -0.282,629 -0.038,630 -0.24,631 0.141,632 0.055,633 -0.004,634 -0.034,635 0.123,636 -0.035,637 -0.083,638 0.026,639 0.028,640 0.046,641 -0.089,642 0.051,643 -0.018,644 0.067,645 0.152,646 0.182,647 -0.012,648 0.187,649 -0.122,650 0.028,651 -0.067,652 -0.031,653 -0.076,654 -0.035,655 -0.028,656 -0.099,657 -0.062,658 -0.12,659 -0.054,660 -0.103,661 1.859,662 5.852,663 0.75,664 26.827,665 0.996,666 1.126,667 2.789,668 7.781,669 0.673,670 3.466,671 3.807,672 4.06,673 4.304,674 4.466,675 4.477,676 4.605,677 4.71,678 4.754,679 4.787,680 6.9,681 0.638,682 373.5,683 3.466,684 5.017,685 5.866,686 6.751,687 7.615,688 8.505,689 9.376,690 10.268,691 11.143,692 12.038,693 9.8,698 2,700 1,703 2,709 10,710 2,714 6,716 18,723 1,728 2,735 51,737 19,738 1,739 31,741 54,742 22,743 16,744 3,745 3,746 1,748 4,749 5,754 2,755 1,756 1,762 17,763 5,767 1,772 1,776 1,780 1,783 23,784 6,785 3,786 6,792 5,797 0.75,798 1,809 2,815 1,816 3,819 1,843 3,847 2,851 28,858 2,860 3,865 1,874 2,877 1,881 14.083,882 9.65,883 6.042,884 2.931,886 3.416,887 1.45,888 0.993,889 5.014,890 11.011,891 3.738,892 4.324,893 4.866,894 5.389,895 5.86,896 5.928,897 6.235,898 6.524,899 6.781,900 7.063,901 0.875,902 43,903 10.338,905 4.394,906 7.658,907 19.865,909 16.412,911 2.158,912 60.417,915 1,916 235.422,917 137.441,918 87.603,920 25.145,923 137.441,924 260.567,925 87.603,926 17.65,927 22.222,928 66.334,929 134.755,930 42.212,931 2.328,932 200.109,934 235.422,935 225.044,936 25.145,939 235.422,940 25.145,943 67.015,944 88.437,945 69.593,947 235.422,948 112.748,949 137.441,952 235.422,953 26.314,954 111.126,955 54.032,956 58.716,957 235.422,958 112.748,959 137.441,961 0.587,962 0.339,963 0.18,964 0.092,965 22,966 9,967 0.093,968 5,969 1,970 1.095,971 4.038,972 241.147,973 0.095,974 21,975 128.606,981 18.454,982 7.608,983 4.026,985 112.748,986 18.561,987 8.347,991 5.233,993 54.032,994 485.611,995 41,1000 12.852,1004 -0.192,1007 50.789,1008 57.438,1009 0.261,1010 0.635,1011 0.811,1012 0.888,1013 0.898,1014 0.898,1015 4.98,1016 1.441,1017 5.878,1018 3.961,1019 4.489,1020 5.011,1021 1.487,1022 6.725,1023 4.441,1024 6.194,1025 1.414,1026 7.465,1027 3.345,1028 4.205,1029 4.771,1031 7.921,1032 4.177,1033 7.51,1034 1.021,1035 9.169,1036 3.056,1037 6.159,1038 7.165,1039 1.369,1040 10.969,1041 6.084,1042 8.864,1043 1,1044 10.948,1045 2.548,1046 6.723,1047 7.711,1049 13.033,1050 6.67,1051 10.251,1052 0.703,1053 12.779,1054 2.136,1055 8.182,1056 9.599,1057 1.381,1058 15.695,1059 8.095,1060 11.662,1061 0.618,1062 14.647,1063 1.687,1064 9.119,1065 10.524,1067 18.071,1068 9.047,1069 13.093,1070 -0.066,1071 16.542,1072 1.424,1073 10.406,1074 12.18,1075 1.439,1076 20.641,1077 10.313,1078 3.468,1079 -0.337,1080 18.458,1081 -0.176,1082 11.507,1083 13.308,1085 23.128,1086 11.419,1087 3,1088 12.923,1089 20.39,1090 -0.809,1091 12.74,1092 14.843,1093 1.516,1094 25.679,1095 12.641,1096 2.581,1097 9.967,1098 22.335,1099 4.097,1100 13.911,1101 16.084,1103 28.207,1104 13.812,1105 2.501,1106 7.943,1107 24.291,1108 3.938,1109 15.133,1110 17.554,1111 1.602,1112 30.757,1113 15.025,1114 2.119,1115 6.992,1116 26.255,1117 3.442,1118 16.336,1119 18.86,1121 33.302,1122 16.225,1123 1.829,1124 6.511,1125 28.226,1126 3.207,1127 17.558,1128 20.295,1129 1.691,1130 35.854,1131 17.442,1132 1.563,1133 5.299,1134 30.202,1135 2.651,1136 18.777,1137 21.638,1139 38.406,1140 18.656,1141 9927,1142 15428,1143 20.86,1144 34.336,1145 47.109,1146 47.944,1147 47.121,1148 46.435,1149 46.516,1150 60.603,1151 4.231,1152 135.583,1153 45.316,1154 5.501,1155 5.691,1156 7.216,1157 5.503,1158 5.468,1159 7.097,1160 2.117,1161 20.548,1162 5.444,1163 11.85,1164 1.52,1165 1.547,1166 1.52,1167 1.498,1168 1.501,1169 1.955,1170 0.136,1171 4.374,1172 1.462,1173 4.048,1174 4.084,1175 3.994,1176 3.963,1177 7.429,1178 3.966,1179 3.93,1180 3.972,1181 3.877,1182 3.818,1183 4.925,1184 3.827,1185 3.836,1186 3.875,1187 3.779,1188 3.734,1189 4.853,1190 3.74,1191 3.571,1192 3.63,1193 3.466,1194 3.445,1195 4.784,1196 3.439,1197 3.25,1198 3.342,1199 3.165,1200 3.043,1201 4.258,1202 3.061,1203 3.243,1204 3.289,1205 3.116,1206 2.986,1207 4.12,1208 3.015,1209 3.091,1210 3.186,1211 2.917,1212 2.868,1213 3.894,1214 2.868,1215 2.874,1216 3.009,1217 2.687,1218 2.735,1219 3.826,1220 2.715,1221 0.149,1222 0.119,1223 0.239,1224 0.144,1225 0.112,1226 4.62,1227 0.132,1228 3.691,1229 0.034,1230 7.414,1231 0.417,1232 4.461,1233 0.111,1234 3.468,1235 4.097,1236 1.058,1237 12.923,1238 3.444,1239 1.925,1240 1.899,1241 2.028,1242 2.044,1243 1.272,1244 2.036,1245 1.876,1246 1.84,1247 1.993,1248 1.989,1249 1.107,1250 1.995,1251 1.804,1252 1.771,1253 1.914,1254 1.925,1255 1.022,1256 1.925,1257 1.641,1258 1.581,1259 1.851,1260 1.82,1261 0.948,1262 1.837,1263 1.208,1264 1.146,1265 1.463,1266 1.483,1267 0.548,1268 1.476,1269 1.177,1270 1.104,1271 1.417,1272 1.464,1273 0.537,1274 1.446,1275 1.049,1276 0.969,1277 1.415,1278 1.316,1279 0.469,1280 1.325,1281 0.934,1282 0.821,1283 1.282,1284 1.239,1285 0.286,1286 1.308,1287 4.143,1289 5.476,1290 2.398,1291 7.004,1292 4.844,1293 8.616,1294 7.018,1295 10.272,1297 4.418,1303 1.461,1305 9.634,1310 0.102,1314 32.563,1315 75.535,1316 183.694,1317 234.623,1318 257.029,1319 259.784,1320 259.784,1321 43.47,1322 7.595,1323 78.94,1324 78.94,1325 23,1326 12.568,1327 4.322,1328 3.459,1329 42.516,1330 115,1331 114,1332 0.176,1333 200.922,1334 344.41,1335 482.01,1336 22969,1338 19.562,1339 0.699,1340 0.571,1341 19.562,1342 15.99,1343 13.527,1344 0.436,1345 0.3,1346 9.2,1347 13.12,1348 8.896,1349 7.437,1350 13.527,1351 9.304,1352 12.576,1353 0.286,1354 0.172,1355 12.576,1356 7.561,1357 10.329,1358 0.181,1359 0.088,1360 10.329,1361 4.989,1362 8.636,1363 0.118,1364 0.046,1365 8.636,1366 3.384,1367 6.678,1368 0.078,1369 0.025,1370 6.678,1371 2.174,1372 0.28,1373 84.009,1374 0.219,1375 26.964,1376 0.475,1377 150,1378 388.024,1379 160.874,1380 385.928,1381 535.3,1382 362,1383 176,1384 399.848,1385 187.319,1386 411.351,1387 596.84,1388 386,1389 5}
{0 CHEMBL573339,1 1.643,2 8.038,3 2.634,4 6.936,5 93.122,6 8.295,7 0.7,8 3.901,9 3.993,10 3.57,11 3.427,12 5.053,13 3.451,14 4.429,15 4.567,16 3.953,17 3.814,18 5.57,19 3.831,20 4.632,21 4.81,22 4.004,23 3.906,24 5.74,25 3.897,26 4.601,27 4.8,28 3.93,29 3.856,30 5.661,31 3.843,32 4.552,33 4.727,34 3.948,35 3.85,36 5.691,37 3.845,38 4.563,39 4.716,40 3.948,41 3.915,42 5.647,43 3.901,44 4.608,45 4.774,46 3.86,47 3.933,48 5.677,49 3.88,50 4.659,51 4.872,52 3.658,53 3.843,54 5.7,55 3.738,56 0.093,57 0.64,58 7.051,59 3.599,60 8.919,61 4.003,62 0.347,63 1.055,64 14.419,65 5.833,66 21.708,67 6.641,68 0.537,69 1.241,70 20.054,71 7.233,72 35.14,73 8.985,74 0.401,75 1.234,76 19.844,77 6.951,78 33.285,79 8.821,80 0.525,81 1.162,82 18.373,83 6.593,84 41.881,85 7.998,86 0.434,87 1.193,88 16.823,89 6.549,90 25.389,91 7.574,92 0.383,93 1.212,94 17.722,95 7.482,96 25.34,97 8.996,98 0.443,99 1.167,100 21.923,101 8.885,102 39.839,103 11.593,104 2,105 43,106 0.282,107 0.649,108 0.781,109 0.845,110 0.845,111 0.845,112 3.306,113 0.847,114 -3.61,115 -3.59,116 -3.42,119 45.2,125 4,142 6,143 2,144 1,145 1,146 1,147 1,149 1,152 1,161 1,172 6,174 3,175 6,180 2,183 5,187 4,188 7,193 2,196 2,199 2,200 7,205 1,208 1,212 3,213 7,216 2,221 3,224 1,225 6,233 4,237 1,238 6,241 1,243 1,246 4,249 1,250 5,253 1,255 1,258 2,264 3,267 1,269 1,272 1,276 888,277 18.154,278 18.154,279 18.154,280 18.154,281 18.154,282 15.811,283 12.611,284 10.787,285 18.623,286 14.885,287 14.885,288 14.885,289 14.885,290 14.885,291 11.295,292 16.024,293 5.188,294 15.653,295 3.749,296 1.617,297 0.845,298 0.476,299 0.476,300 0.476,301 4.024,304 1,305 1,306 1,307 471,308 2.121,311 37.097,312 226.299,315 148.493,319 1.047,320 26.381,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 57,332 209,333 4.779,334 3.38,335 6.937,336 4.289,337 3.319,338 4.866,339 0.86,340 11.762,341 3.224,342 4.245,343 2.973,344 6.306,345 3.825,346 2.855,347 3.917,348 0.8,349 9.524,350 2.772,351 4.042,352 2.874,353 6.123,354 3.688,355 2.742,356 3.615,358 8.995,359 2.588,360 3.625,361 2.476,362 5.454,363 3.215,364 2.274,365 3.018,367 6.72,368 2.133,369 3.454,370 2.321,371 5.054,372 3.044,373 2.088,374 2.819,376 6.043,377 1.989,378 3.187,379 2.042,380 4.929,381 2.762,382 1.82,383 2.402,385 5.376,386 1.716,387 2.947,388 1.735,389 4.335,390 2.505,391 1.552,392 2.101,394 4.001,395 1.474,396 2.842,397 1.504,398 4.161,399 2.343,400 1.387,401 1.998,403 3.558,404 1.325,405 2.648,406 1.389,407 3.613,408 2.246,409 1.31,410 1.697,412 2.914,413 1.214,414 2.588,415 1.256,416 3.559,417 2.081,418 1.098,419 1.631,421 2.567,422 1.077,423 2.28,424 1.114,425 3.475,426 1.952,427 1,428 1.243,430 2.531,431 0.946,432 2,433 1.083,434 3.267,435 1.91,436 1,437 1,439 2.136,440 0.905,441 1.891,442 0.508,443 3.247,444 1.417,445 0.463,446 0.653,448 1.239,449 0.441,450 1.063,451 -0.057,452 2.736,453 0.606,454 -0.341,455 -0.451,457 -0.846,458 -0.32,459 0.928,460 -0.263,461 2.639,462 0.516,463 -0.41,464 -0.511,466 -1.005,467 -0.375,468 12.1,469 0.465,470 0.551,471 0.021,472 37.5,473 1.442,474 19,475 0.731,476 18.5,477 0.712,478 18.299,479 0.704,480 26.9,481 0.64,482 26.764,483 1.029,484 7.429,485 0.286,486 5.364,487 0.206,488 0.028,490 0.364,496 0.922,497 1.35,498 0.676,499 1.072,500 0.905,501 0.87,502 1.093,503 1.048,504 0.844,505 0.911,506 0.749,507 0.837,508 0.976,509 1.101,510 0.887,511 0.911,512 0.902,513 0.887,514 0.969,515 1.061,516 0.88,517 0.907,518 0.895,519 0.865,520 1.024,521 0.911,522 0.9,523 0.803,524 0.84,525 0.818,526 1.093,527 1.093,528 1.101,529 1.006,530 0.857,531 1.026,532 0.915,533 1.086,534 1.219,535 1.237,536 0.897,537 1.274,538 0.695,539 1.052,540 1.128,541 1.309,542 0.846,543 1.315,544 4,545 0.025,546 2.667,547 1.701,548 1.275,549 1.146,550 0.554,551 0.259,552 0.228,553 0.089,554 7600,555 20994,556 2.241,557 38.1,559 14,561 1,562 1,567 1.7,568 2.167,569 3.032,570 -0.294,571 1,572 1,574 1,577 69.012,578 1.643,579 3.775,580 4.547,581 4.916,582 4.916,583 4.916,584 2.286,585 4.393,586 4.672,587 3.169,588 1029.87,589 8.147,590 12408.6,591 1,592 1,594 1,595 226.477,596 1.142,597 4.66,598 0.133,599 0.006,600 0.062,601 0.039,602 0.031,603 0.027,604 0.013,605 0.007,606 0.008,607 0.006,608 0.333,609 0.5,610 0.88,611 0.362,612 123.326,613 -0.092,614 -0.256,615 0.06,616 -0.095,617 -0.107,618 -0.008,619 -0.074,620 0.035,621 0.009,622 0.029,623 0.006,624 0.033,625 0.036,626 -0.071,627 0.055,628 0.036,629 0.017,630 0.04,631 -0.081,632 -0.012,633 0.072,634 0.029,635 -0.044,636 0.077,637 0.008,638 0.144,639 0.031,640 0.134,641 0.059,642 0.091,643 -0.143,644 -0.013,645 -0.239,646 -0.069,647 -0.128,648 -0.143,649 -0.079,650 -0.052,651 -0.349,652 -0.269,653 -0.127,654 -0.342,655 0.116,656 -0.146,657 -0.138,658 -0.288,659 0.081,660 -0.268,661 1.488,662 3.826,663 0.962,664 19.935,665 1.016,666 1.122,667 2.385,668 5.688,669 0.689,670 3.434,671 3.784,672 4.127,673 4.477,674 4.796,675 4.956,676 5.215,677 5.425,678 5.525,679 5.624,680 5.249,681 0.676,682 348.39,683 3.434,684 4.99,685 5.872,686 6.777,687 7.681,688 8.597,689 9.513,690 10.436,691 11.359,692 12.285,693 9.5,699 1,703 3,708 4,709 7,710 3,712 1,714 4,716 21,730 1,732 1,735 42,737 21,738 1,739 30,741 46,742 19,743 15,744 2,745 4,748 5,749 8,762 15,763 4,779 1,780 1,782 1,783 16,784 7,785 1,786 7,792 4,797 0.6,798 3,809 1,810 1,815 1,816 4,819 2,842 1,843 3,851 26,857 1,858 4,861 1,864 1,874 7.1,876 1,878 1,879 1,881 12,882 7.667,883 5.583,884 2.54,886 4.165,887 1.525,888 1.024,889 3.731,890 12.103,891 3.726,892 4.404,893 5.11,894 5.829,895 6.501,896 6.989,897 7.581,898 8.135,899 8.52,900 8.952,901 0.667,902 44,903 9.597,905 4.213,906 7.705,907 18.329,909 15.436,911 2.205,912 57.333,915 1,916 176.567,917 101.103,918 53.481,920 63.191,923 101.103,924 239.757,925 53.481,927 13.396,928 56.857,929 120.218,930 31.91,931 7.164,932 164.795,934 176.567,935 154.584,936 63.191,939 178.894,940 52.191,941 11,943 28.995,944 72.904,945 50.357,947 176.567,948 116.671,949 101.103,952 176.567,953 35.198,954 69.029,956 113.547,957 176.567,958 116.671,959 101.103,961 0.582,962 0.345,963 0.202,964 0.119,965 24,966 9,967 0.043,968 2,969 2,970 1.16,971 3.774,972 242.994,973 0.16,974 25,975 118.211,981 15.558,982 6.236,983 2.713,984 2.743,985 116.671,986 12.445,987 13.778,989 5.983,991 2.202,993 42.683,994 394.341,995 40.5,1007 42.691,1008 47.113,1009 0.305,1010 0.7,1011 0.843,1012 0.912,1013 0.912,1014 0.912,1015 4.965,1016 1.387,1017 5.855,1018 4.001,1019 4.466,1020 5.091,1021 1.235,1022 6.708,1023 4.375,1024 6.186,1025 1.31,1026 7.428,1027 3.558,1028 4.007,1029 4.956,1030 0.325,1031 7.662,1032 3.886,1033 7.511,1034 1.098,1035 9.106,1036 2.914,1037 6.084,1038 7.419,1039 0.938,1040 10.832,1041 5.921,1042 8.878,1043 1,1044 10.848,1045 2.567,1046 6.494,1047 8.187,1048 0.268,1049 12.661,1050 6.309,1051 10.283,1052 1,1053 12.631,1054 2.531,1055 8.017,1056 10.102,1057 0.732,1058 15.339,1059 7.795,1060 11.716,1061 0.463,1062 14.444,1063 2.136,1064 8.838,1065 11.302,1066 0.188,1067 17.525,1068 8.596,1069 13.171,1070 -0.341,1071 16.277,1072 1.239,1073 10.137,1074 12.998,1075 0.57,1076 20.041,1077 9.862,1078 3.319,1079 -0.41,1080 18.127,1081 -0.846,1082 11.151,1083 14.404,1084 0.125,1085 22.378,1086 10.856,1087 2.855,1088 11.762,1089 19.988,1090 -1.005,1091 12.365,1092 16.016,1093 0.438,1094 24.844,1095 12.04,1096 2.742,1097 9.524,1098 21.86,1099 4.866,1100 13.469,1101 17.517,1102 0.082,1103 27.245,1104 13.12,1105 2.274,1106 8.995,1107 23.74,1108 3.917,1109 14.654,1110 19.101,1111 0.334,1112 29.699,1113 14.278,1114 2.088,1115 6.72,1116 25.627,1117 3.615,1118 15.8,1119 20.643,1120 0.054,1121 32.13,1122 15.399,1123 1.82,1124 6.043,1125 27.519,1126 3.018,1127 16.98,1128 22.22,1129 0.252,1130 34.584,1131 16.552,1132 1.552,1133 5.376,1134 29.416,1135 2.819,1136 18.146,1137 23.782,1138 0.035,1139 37.03,1140 17.693,1141 6991,1142 11755,1143 20.978,1144 28.955,1145 45.956,1146 46.037,1147 46.388,1148 45.857,1149 45.817,1150 61.92,1151 3.32,1152 134.731,1153 43.605,1154 5.779,1155 5.38,1156 6.739,1157 5.393,1158 5.319,1159 7.866,1160 1.72,1161 19.31,1162 5.224,1163 6.541,1164 1.532,1165 1.535,1166 1.546,1167 1.529,1168 1.527,1169 2.064,1170 0.111,1171 4.491,1172 1.454,1173 4.183,1174 4.2,1175 4.171,1176 4.047,1177 6.471,1178 4.074,1179 3.894,1180 3.916,1181 3.843,1182 3.821,1183 5.281,1184 3.823,1185 3.768,1186 3.822,1187 3.671,1188 3.567,1189 4.814,1190 3.585,1191 3.535,1192 3.58,1193 3.462,1194 3.369,1195 4.617,1196 3.385,1197 3.114,1198 3.206,1199 3.063,1200 2.946,1201 4.538,1202 2.966,1203 3.111,1204 3.135,1205 2.866,1206 2.941,1207 4.324,1208 2.91,1209 2.94,1210 2.992,1211 2.863,1212 2.746,1213 4.032,1214 2.75,1215 2.922,1216 2.967,1217 2.804,1218 2.714,1219 3.806,1220 2.735,1221 0.159,1222 0.113,1223 0.231,1224 0.143,1225 0.111,1226 4.779,1227 0.162,1228 3.38,1229 0.029,1230 6.937,1231 0.392,1232 4.289,1233 0.107,1234 3.319,1235 4.866,1236 0.86,1237 11.762,1238 3.224,1239 1.956,1240 1.93,1241 2.025,1242 2.081,1243 1.218,1244 2.062,1245 1.848,1246 1.824,1247 1.942,1248 1.975,1249 1.097,1250 1.957,1251 1.749,1252 1.71,1253 1.917,1254 1.942,1255 1.026,1256 1.943,1257 1.545,1258 1.509,1259 1.646,1260 1.771,1261 0.825,1262 1.738,1263 1.153,1264 1.064,1265 1.513,1266 1.376,1267 0.698,1268 1.429,1269 0.998,1270 0.981,1271 1.154,1272 1.235,1273 0.259,1274 1.195,1275 0.942,1276 0.906,1277 1.125,1278 1.14,1279 0.237,1280 1.131,1281 0.883,1282 0.838,1283 1.103,1284 1.114,1285 0.139,1286 1.101,1287 4.111,1289 5.451,1290 2.398,1291 7.002,1292 4.844,1293 8.648,1294 7.066,1295 10.344,1302 9.826,1303 2.753,1306 5.462,1309 2.141,1314 28.391,1315 69.012,1316 158.561,1317 190.968,1318 206.477,1319 206.477,1320 206.477,1321 32.97,1322 7.938,1323 84.51,1324 84.51,1325 29,1326 12.791,1327 4.459,1328 3.524,1329 33.517,1330 83,1331 75,1332 0.205,1333 168.877,1334 278.47,1335 403.821,1336 28842,1338 17.51,1339 0.673,1340 0.535,1341 17.51,1342 13.922,1343 12.793,1344 0.426,1345 0.282,1346 8.311,1347 12.185,1348 8.209,1349 6.7,1350 12.793,1351 8.468,1352 11.597,1353 0.27,1354 0.143,1355 11.597,1356 6.156,1357 10.241,1358 0.168,1359 0.074,1360 10.241,1361 4.488,1362 9.145,1363 0.105,1364 0.037,1365 9.145,1366 3.228,1367 7.995,1368 0.067,1369 0.019,1370 7.995,1371 2.254,1372 0.306,1373 80.996,1374 0.218,1375 24.334,1376 0.613,1377 146,1378 450.201,1379 163.654,1380 427.285,1381 598.74,1382 404,1383 177,1384 455.855,1385 196.404,1386 455.624,1387 681.09,1388 431,1389 5}
{0 CHEMBL574738,1 1.737,2 17.421,3 4.513,4 20.37,5 141.564,6 7.789,7 0.439,8 4.326,9 4.457,10 3.911,11 3.768,12 5.463,13 3.782,14 4.887,15 5.079,16 4.318,17 4.137,18 6.358,19 4.135,20 5.094,21 5.307,22 4.297,23 4.305,24 6.174,25 4.264,26 5.208,27 5.442,28 4.301,29 4.321,30 6.33,31 4.256,32 5.246,33 5.511,34 4.289,35 4.258,36 6.458,37 4.203,38 5.069,39 5.294,40 4.205,41 4.184,42 6.242,43 4.15,44 5.071,45 5.299,46 4.255,47 4.121,48 6.562,49 4.093,50 4.978,51 5.224,52 4.019,53 4.011,54 6.218,55 3.971,56 0.176,57 1.234,58 13.199,59 5.62,60 23.129,61 7.372,62 1.167,63 2.182,64 28.269,65 9.026,66 151.997,67 12.315,68 0.725,69 2.117,70 35.087,71 11.784,72 62.487,73 16.266,74 0.866,75 2.327,76 41.627,77 14.262,78 92.131,79 19.458,80 1.48,81 2.318,82 47.733,83 13.322,84 145.555,85 18.829,86 0.918,87 2.16,88 36.82,89 11.876,90 115.325,91 15.218,92 1.561,93 2.233,94 38.593,95 11.753,96 231.729,97 14.917,98 1.258,99 1.928,100 36.067,101 10.065,102 132.792,103 12.838,104 46,105 57,106 0.274,107 0.592,108 0.742,109 0.819,110 0.848,111 0.853,112 3.667,113 0.895,114 -4.94,115 -4.85,116 -4.54,119 38.2,120 1,124 1,125 6,132 1,142 8,143 2,144 3,147 2,148 1,159 1,172 6,174 2,175 7,178 3,179 1,180 5,183 6,187 1,188 4,193 4,196 4,199 1,200 8,203 2,205 5,208 2,213 8,216 1,218 4,221 2,225 5,228 1,230 3,233 4,237 1,238 4,241 2,243 3,246 9,249 1,253 1,258 8,263 1,264 3,267 3,268 1,269 1,272 4,276 3096,277 25.347,278 25.347,279 25.347,280 25.347,281 25.347,282 23.06,283 41.64,284 14.877,285 26.304,286 20.159,287 20.159,288 20.159,289 20.159,290 20.159,291 16.613,292 62.867,293 7,294 21.699,295 4.35,296 2.334,297 1.386,298 0.897,299 0.71,300 0.68,301 4.36,306 1,307 1412,308 4.416,312 608.584,319 2.729,320 56.162,323 0.75,324 0.67,325 0.83,326 0.9,327 1,328 0.83,329 1,330 0.85,331 86,332 662,333 4.561,334 4.472,335 7.254,336 4.275,337 3.388,338 4.067,339 3.825,340 12.281,341 3.062,342 4.14,343 3.562,344 5.74,345 3.721,346 2.784,347 3.737,348 1.656,349 8.044,350 2.623,351 4.012,352 3.092,353 5.697,354 3.617,355 2.697,356 3.587,357 0.916,358 7.964,359 2.491,360 3.865,361 3.075,362 5.562,363 3.594,364 2.659,365 3.156,366 0.86,367 7.619,368 2.442,369 3.715,370 2.809,371 5.437,372 3.474,373 2.53,374 2.903,375 0.8,376 7.218,377 2.372,378 3.6,379 2.672,380 5.335,381 3.299,382 2.367,383 2.773,384 0.4,385 6.87,386 2.162,387 3.454,388 2.53,389 5.2,390 3.165,391 2.232,392 2.597,393 0.247,394 6.562,395 2.078,396 3.305,397 2.43,398 5.027,399 2.952,400 2.02,401 2.506,402 0.172,403 5.933,404 1.869,405 3.169,406 2.206,407 4.816,408 2.819,409 1.887,410 2.354,412 5.429,413 1.747,414 3.034,415 2.06,416 4.577,417 2.689,418 1.709,419 2.069,421 4.788,422 1.655,423 2.675,424 1.38,425 4.103,426 2.124,427 1.211,428 1.754,430 3.204,431 1.103,432 2.582,433 1.281,434 3.497,435 2.118,436 1.156,437 1.615,439 2.634,440 1.094,441 2.5,442 1.146,443 3.414,444 2,445 1,446 1.5,448 2.275,449 1,450 2,451 1,452 3.414,453 1.967,454 1,455 1,457 2.275,458 0.965,459 1.682,460 0.859,461 3.166,462 1.591,463 0.624,464 0.643,466 1.238,467 0.601,468 17.324,469 0.456,470 1.03,471 0.027,472 47.5,473 1.25,474 21.5,475 0.566,476 26,477 0.684,478 34.09,479 0.897,480 43.276,481 0.636,482 42.485,483 1.118,484 9.766,485 0.257,486 8.462,487 0.223,488 0.126,489 0.029,490 0.277,493 3,496 0.688,497 1.291,498 0.725,499 1.233,500 0.58,501 1.035,502 0.575,503 0.807,504 0.789,505 0.917,506 0.354,507 0.904,508 0.818,509 0.936,510 0.947,511 1.056,512 0.582,513 1.037,514 0.811,515 1.118,516 0.907,517 1.206,518 0.771,519 1.123,520 1.006,521 0.839,522 0.9,523 0.82,524 1.163,525 0.83,526 1.22,527 1.147,528 1.04,529 1.036,530 1.267,531 0.997,532 1.171,533 1.257,534 1.047,535 1.061,536 1.38,537 1.032,538 1.496,539 1.056,540 1.243,541 0.869,542 1.716,543 0.951,544 10,545 0.223,546 3.333,547 2.563,548 2.258,549 1.354,550 1.153,551 0.5,552 0.608,553 0.365,554 25853,555 77109,556 2.031,557 44.1,559 23,561 1,562 3,564 3,567 1.783,568 1.892,569 4.02,570 0.843,577 118.123,578 1.737,579 3.754,580 4.702,581 5.19,582 5.378,583 5.407,584 3.527,585 4.774,586 5.215,587 4.231,588 2974.12,589 9.16,590 53167,595 413.947,596 1.538,597 5.168,598 0.244,599 0.006,600 0.058,601 0.045,602 0.042,603 0.026,604 0.023,605 0.01,606 0.015,607 0.009,608 0.478,609 0.17,610 0.88,611 0.848,612 216.585,613 -0.064,614 -0.229,615 0.039,616 -0.12,617 -0.075,618 -0.03,619 0.32,620 0.252,621 0.111,622 0.081,623 0.427,624 0.047,625 -0.095,626 -0.071,627 -0.059,628 -0.052,629 0.003,630 -0.04,631 0.013,632 -0.206,633 0.036,634 -0.179,635 0.025,636 -0.093,637 0.051,638 0.131,639 0.135,640 0.146,641 -0.023,642 0.16,643 -0.161,644 -0.104,645 -0.058,646 -0.018,647 -0.154,648 -0.007,649 0.178,650 0.014,651 0.006,652 -0.032,653 0.156,654 -0.061,655 -0.161,656 0.177,657 -0.18,658 0.115,659 -0.251,660 -0.002,661 5.789,662 5.842,663 0.632,664 55.679,665 1.02,666 1.152,667 3.712,668 13.776,669 0.642,670 3.738,671 4.06,672 4.248,673 4.477,674 4.7,675 4.71,676 4.844,677 4.883,678 5.017,679 5.063,680 9.769,681 0.626,682 529.63,683 3.738,684 5.283,685 6.107,686 6.978,687 7.818,688 8.69,689 9.538,690 10.41,691 11.263,692 12.135,693 10.3,696 2,698 1,700 2,703 2,709 9,710 2,714 7,716 18,728 1,733 1,735 68,737 19,738 2,739 41,741 71,742 26,743 16,744 5,745 7,748 4,749 4,753 1,754 2,759 1,762 17,763 9,767 1,772 1,776 1,781 3,783 30,784 12,785 3,786 12,792 7,797 1,798 2,810 1,816 4,839 2,843 4,847 2,849 3,851 38,858 6,860 3,861 1,864 2,865 1,873 3,874 2.9,877 1,879 1,881 20.083,882 12.562,883 8.361,884 4.045,886 3.2,887 1.394,888 0.975,889 9.182,890 11.314,891 3.951,892 4.494,893 4.954,894 5.474,895 5.978,896 6.063,897 6.394,898 6.635,899 6.922,900 7.211,901 0.917,902 57,903 14.605,905 6.626,906 8.068,907 26.208,909 20.954,911 2.568,912 97.583,916 317.82,917 150.59,918 93.852,920 36.145,921 44.88,923 150.59,924 353.965,925 138.732,926 17.222,927 48.656,928 75.81,929 88.498,930 87.876,931 11.418,932 306.049,933 7.76,934 317.82,935 244.442,936 81.025,939 282.506,940 116.338,943 80.108,944 112.753,945 51.582,947 362.7,948 129.997,949 150.59,952 325.579,953 41.181,954 107.899,955 54.032,956 114.596,957 317.82,958 174.877,959 150.59,961 0.581,962 0.324,963 0.168,964 0.095,965 25,966 12,967 0.113,968 8,970 1,971 4.884,972 349.587,974 24,975 186.666,981 27.804,982 12.549,983 7.892,985 174.877,986 13.387,987 8.045,991 1.357,993 54.032,994 643.287,995 51,1000 12.479,1004 -0.662,1007 69.392,1008 78.324,1009 0.285,1010 0.617,1011 0.772,1012 0.853,1013 0.883,1014 0.888,1015 5.201,1016 2.02,1017 6.111,1018 6.562,1019 4.745,1020 5.182,1021 3.398,1022 6.905,1023 4.606,1024 6.395,1025 1.887,1026 7.664,1027 5.933,1028 4.443,1029 4.966,1030 3.963,1031 7.934,1032 4.147,1033 7.694,1034 1.709,1035 9.321,1036 5.429,1037 6.368,1038 7.272,1039 5.475,1040 10.925,1041 6.074,1042 9.023,1043 1.211,1044 11.042,1045 4.788,1046 6.836,1047 7.782,1048 6.702,1049 12.807,1050 6.371,1051 10.379,1052 1.156,1053 12.809,1054 3.204,1055 8.278,1056 9.63,1057 8.066,1058 15.421,1059 7.8,1060 11.756,1061 1,1062 14.613,1063 2.634,1064 9.11,1065 10.498,1066 9.391,1067 17.684,1068 8.47,1069 13.149,1070 1,1071 16.447,1072 2.275,1073 10.372,1074 12.138,1075 10.736,1076 20.21,1077 9.69,1078 3.388,1079 0.624,1080 18.306,1081 2.275,1082 11.389,1083 13.21,1084 12.075,1085 22.628,1086 10.559,1087 2.784,1088 12.281,1089 20.189,1090 1.238,1091 12.59,1092 14.737,1093 13.417,1094 25.136,1095 11.691,1096 2.697,1097 8.044,1098 22.09,1099 4.067,1100 13.701,1101 15.931,1102 14.758,1103 27.611,1104 12.669,1105 2.659,1106 7.964,1107 24.007,1108 3.737,1109 14.889,1110 17.394,1111 16.1,1112 30.118,1113 13.77,1114 2.53,1115 7.619,1116 25.938,1117 3.587,1118 16.048,1119 18.663,1120 17.441,1121 32.614,1122 14.807,1123 2.367,1124 7.218,1125 27.88,1126 3.156,1127 17.24,1128 20.09,1129 18.783,1130 35.121,1131 15.901,1132 2.232,1133 6.87,1134 29.831,1135 2.903,1136 18.425,1137 21.404,1138 20.124,1139 37.624,1140 16.97,1141 24738,1142 43069,1143 26.929,1144 43.66,1145 60.919,1146 60.818,1147 61.764,1148 60.732,1149 60.475,1150 74.736,1151 17.755,1152 172.381,1153 56.332,1154 5.561,1155 6.472,1156 6.847,1157 5.363,1158 5.388,1159 7.067,1160 5.335,1161 19.807,1162 5.062,1163 21.185,1164 1.486,1165 1.483,1166 1.506,1167 1.481,1168 1.475,1169 1.823,1170 0.433,1171 4.204,1172 1.374,1173 4.013,1174 4.052,1175 3.967,1176 3.912,1177 8.513,1178 3.918,1179 3.925,1180 3.956,1181 3.881,1182 3.827,1183 7.999,1184 3.832,1185 3.821,1186 3.887,1187 3.758,1188 3.636,1189 7.999,1190 3.661,1191 3.797,1192 3.852,1193 3.701,1194 3.616,1195 7.431,1196 3.628,1197 3.484,1198 3.547,1199 3.448,1200 3.25,1201 5.079,1202 3.265,1203 3.412,1204 3.484,1205 3.304,1206 3.155,1207 4.784,1208 3.182,1209 3.302,1210 3.399,1211 3.213,1212 3.016,1213 4.697,1214 3.043,1215 3.268,1216 3.324,1217 3.114,1218 2.978,1219 4.378,1220 3.009,1221 0.111,1222 0.109,1223 0.177,1224 0.104,1225 0.083,1226 4.561,1227 0.099,1228 4.472,1229 0.093,1230 7.254,1231 0.3,1232 4.275,1233 0.075,1234 3.388,1235 4.067,1236 3.825,1237 12.281,1238 3.062,1239 1.944,1240 1.917,1241 2.053,1242 2.075,1243 1.341,1244 2.07,1245 1.885,1246 1.861,1247 1.989,1248 2.021,1249 1.168,1250 2.008,1251 1.768,1252 1.697,1253 1.959,1254 1.971,1255 1.062,1256 1.967,1257 1.725,1258 1.676,1259 1.833,1260 1.919,1261 0.937,1262 1.903,1263 1.436,1264 1.352,1265 1.75,1266 1.678,1267 0.825,1268 1.702,1269 1.298,1270 1.246,1271 1.582,1272 1.606,1273 0.824,1274 1.582,1275 1.248,1276 1.144,1277 1.513,1278 1.551,1279 0.653,1280 1.541,1281 1.153,1282 1.064,1283 1.464,1284 1.416,1285 0.584,1286 1.429,1287 4.419,1289 5.74,1291 7.242,1293 8.823,1295 10.446,1297 3.801,1299 41.525,1303 4.244,1305 7.99,1306 5.666,1309 4.291,1310 -4.539,1314 42.578,1315 118.123,1316 255.24,1317 319.709,1318 352.928,1319 365.683,1320 367.683,1321 93.97,1322 8.114,1323 94.65,1324 94.65,1325 24,1326 12.681,1327 4.322,1328 3.459,1329 68.063,1330 224,1331 226,1332 0.144,1333 260.471,1334 462.61,1335 627.309,1336 45199,1337 4.4,1338 27.123,1339 0.714,1340 0.557,1341 24.623,1342 21.178,1343 18.228,1344 0.445,1345 0.298,1346 11.966,1347 17.174,1348 11.738,1349 9.711,1350 17.017,1351 12.238,1352 16.948,1353 0.297,1354 0.154,1355 14.953,1356 8.777,1357 12.967,1358 0.188,1359 0.09,1360 12.208,1361 6.212,1362 10.577,1363 0.122,1364 0.047,1365 9.834,1366 4.113,1367 8.658,1368 0.079,1369 0.026,1370 7.955,1371 2.82,1372 0.237,1373 116.519,1374 0.193,1375 35.406,1376 0.369,1377 196,1378 777.383,1379 232.926,1380 664.428,1381 874.93,1382 618,1383 224,1384 620.98,1385 253.502,1386 605.604,1387 899.67,1388 567,1389 5.6}
{0 CHEMBL576982,1 1.664,2 19.05,3 5.719,4 32.712,5 154.689,6 7.788,7 0.556,8 4.397,9 4.508,10 4.039,11 3.919,12 5.471,13 3.899,14 4.952,15 5.118,16 4.449,17 4.327,18 5.997,19 4.293,20 5.17,21 5.359,22 4.416,23 4.461,24 6.168,25 4.373,26 5.269,27 5.512,28 4.326,29 4.417,30 6.213,31 4.304,32 5.153,33 5.405,34 4.221,35 4.254,36 6.148,37 4.156,38 4.877,39 5.083,40 4.138,41 4.153,42 5.874,43 4.067,44 4.826,45 5.007,46 4.166,47 4.191,48 5.877,49 4.113,50 4.957,51 5.158,52 4.128,53 4.199,54 6.038,55 4.11,56 0.11,57 1.104,58 14.964,59 6.645,60 11.579,61 8.276,62 0.499,63 1.806,64 31.117,65 11.057,66 39.025,67 14.213,68 0.656,69 2.107,70 40.132,71 14.426,72 49.537,73 18.301,74 0.67,75 2.156,76 49.446,77 16.656,78 67.629,79 22.163,80 0.825,81 1.921,82 44.02,83 13.339,84 75.5,85 18.092,86 0.662,87 1.571,88 34.515,89 10.925,90 47.153,91 13.458,92 0.249,93 1.576,94 29.949,95 10.999,96 27.839,97 13.99,98 0.594,99 1.672,100 32.686,101 11.102,102 71.058,103 14.352,104 18,105 65,106 0.256,107 0.601,108 0.733,109 0.798,110 0.81,111 0.81,112 3.717,113 0.942,114 -4.43,115 -4.36,116 -4.11,119 40.3,120 3,123 1,125 6,142 8,143 1,144 2,146 1,147 1,151 1,152 3,159 1,162 1,166 1,172 8,174 1,175 9,178 3,179 1,180 3,183 10,187 2,188 10,191 1,193 2,196 7,199 1,200 13,203 1,205 5,208 2,212 2,213 7,216 1,218 5,221 3,224 2,225 5,228 1,230 2,233 8,238 8,241 1,243 3,246 8,249 2,250 6,253 1,255 1,258 7,263 2,264 4,267 1,269 1,272 8,276 3720,277 26.969,278 26.969,279 26.969,280 26.969,281 26.969,282 24.093,283 30.283,284 15.772,285 27.843,286 22.304,287 22.304,288 22.304,289 22.304,290 22.304,291 17.757,292 41.564,293 7.614,294 23.738,295 4.505,296 2.264,297 1.404,298 0.983,299 0.907,300 0.907,301 4.43,306 1,307 1683,308 4.416,311 309.188,312 406.175,314 144.755,315 168.529,318 227.117,319 3.503,320 31.443,323 0.75,324 0.5,325 0.83,326 0.7,327 0.5,328 0.83,329 1,330 0.73,331 87,332 762,333 4.749,334 3.582,335 7.118,336 4.326,337 3.327,338 4.85,339 1.656,340 11.699,341 3.322,342 4.471,343 3.527,344 6.794,345 4.178,346 3.265,347 3.918,348 0.86,349 11.258,350 2.995,351 4.222,352 3.275,353 6.148,354 3.81,355 2.834,356 3.89,357 0.86,358 9.096,359 2.756,360 3.969,361 2.94,362 5.635,363 3.606,364 2.65,365 3.538,366 0.8,367 7.717,368 2.525,369 3.848,370 2.857,371 5.572,372 3.461,373 2.539,374 3.148,375 0.247,376 7.48,377 2.355,378 3.689,379 2.721,380 5.355,381 3.411,382 2.473,383 3.027,385 7.011,386 2.3,387 3.521,388 2.523,389 5.341,390 3.299,391 2.351,392 2.746,394 6.955,395 2.213,396 3.427,397 2.413,398 5.195,399 2.983,400 2.019,401 2.591,403 6.228,404 1.946,405 3.294,406 2.175,407 4.842,408 2.827,409 1.873,410 2.524,412 5.276,413 1.758,414 3.217,415 2.037,416 4.749,417 2.601,418 1.725,419 2.495,421 5.234,422 1.492,423 2.718,424 1.73,425 4.349,426 2.426,427 1.545,428 1.812,430 3.93,431 1.354,432 2.653,433 1.492,434 4.226,435 2.307,436 1.332,437 1.688,439 3.584,440 1.294,441 2.574,442 1.484,443 3.804,444 2.173,445 1.213,446 1.578,448 3.233,449 1.153,450 2.5,451 1.275,452 3.679,453 2.006,454 1.104,455 1.5,457 2.675,458 1,459 2.459,460 1.256,461 3.414,462 2,463 1,464 1.443,466 2.275,467 0.986,468 19.067,469 0.477,470 1.116,471 0.028,472 50.5,473 1.263,474 23,475 0.575,476 27.5,477 0.688,478 38.334,479 0.958,480 43.333,481 0.602,482 39.589,483 0.99,484 9.588,485 0.24,486 9.726,487 0.243,488 0.096,489 0.026,490 0.304,496 0.806,497 1.367,498 0.737,499 1.062,500 0.66,501 0.958,502 1.001,503 1.047,504 0.791,505 0.894,506 0.622,507 0.833,508 1.149,509 1.072,510 1.084,511 1.029,512 1.02,513 1.085,514 0.946,515 1.021,516 0.905,517 0.984,518 0.779,519 0.957,520 1.099,521 0.891,522 0.906,523 0.791,524 1.267,525 0.83,526 1.21,527 0.838,528 1.238,529 0.914,530 1.152,531 0.855,532 0.784,533 1.243,534 1.132,535 1.276,536 0.89,537 1.1,538 1.278,539 0.95,540 1.081,541 0.96,542 2.085,543 1.072,544 9.5,545 0.176,546 4,547 2.736,548 1.772,549 1.424,550 0.749,551 0.483,552 0.428,553 0.45,554 34297,555 86492,556 2.144,557 44.4,558 9,559 20,560 1,562 2,567 1.791,568 2.025,569 4.161,570 0.174,577 119.843,578 1.664,579 3.906,580 4.766,581 5.187,582 5.263,583 5.263,584 3.659,585 5.003,586 5.285,587 4.401,588 3433.1,589 9.282,590 65900.8,595 444.235,596 1.445,597 5.258,598 0.211,599 0.004,600 0.062,601 0.046,602 0.033,603 0.03,604 0.016,605 0.01,606 0.01,607 0.011,608 0.432,609 0.17,610 0.75,611 0.598,612 233.874,613 0.022,614 -0.182,615 0.083,616 -0.046,617 -0.025,618 -0.004,619 0.036,620 0.06,621 0.143,622 0.099,623 0.132,624 0.114,625 -0.105,626 -0.022,627 -0.127,628 -0.035,629 -0.102,630 -0.122,631 0.003,632 -0.087,633 0.089,634 0.004,635 0.11,636 0.051,638 0.073,639 0.1,640 0.142,641 0.015,642 0.134,643 -0.087,644 0.231,645 -0.075,646 0.169,647 -0.087,648 0.114,649 -0.023,650 -0.151,651 -0.085,652 -0.171,653 0.064,654 -0.092,655 -0.169,656 0.083,657 -0.152,658 -0.012,659 -0.265,660 -0.125,661 2.056,662 5.424,663 0.725,664 71.7,665 1.007,666 1.127,667 3.203,668 10.256,669 0.672,670 3.829,671 4.19,672 4.443,673 4.727,674 4.934,675 5.088,676 5.273,677 5.421,678 5.576,679 5.753,680 10.929,681 0.639,682 560.74,683 3.829,684 5.398,685 6.252,686 7.144,687 8.016,688 8.913,689 9.795,690 10.695,691 11.585,692 12.49,693 8.3,696 1,700 2,701 1,703 2,708 3,709 9,710 2,712 1,713 1,714 6,716 25,733 1,735 72,737 26,738 2,739 45,741 77,742 29,743 18,744 5,745 7,748 6,749 9,753 1,754 3,755 1,762 19,763 10,767 1,772 1,776 1,783 32,784 9,785 2,786 11,787 1,789 1,791 1,792 6,797 0.667,798 4,815 3,816 3,818 1,819 1,822 1,839 1,842 1,843 4,845 1,847 3,851 40,858 6,860 2,861 2,864 1,865 1,868 1,874 5.6,877 1,878 1,879 2,881 19.75,882 13.883,883 8.444,884 4.296,886 4.823,887 1.517,888 0.996,889 7.814,890 14.149,891 4.086,892 4.725,893 5.338,894 6.007,895 6.545,896 7.039,897 7.587,898 8.057,899 8.498,900 8.959,901 0.923,902 60,903 14.789,905 6.34,906 7.631,907 28.579,909 23.827,911 2.131,912 85.25,916 353.133,917 191.59,918 76.814,920 56.879,922 31.278,923 160.312,924 410.012,925 76.814,926 26.476,927 56.116,928 84.857,929 72.527,930 39.087,931 26.714,932 372.64,934 353.133,935 237.127,936 56.879,937 31.278,939 353.133,940 45.879,941 11,943 89.759,944 110.986,945 36.382,946 31.278,947 353.133,948 133.693,949 191.59,952 353.133,953 80.257,954 115.744,955 36.022,956 93.261,957 353.133,958 133.693,959 191.59,961 0.592,962 0.331,963 0.175,964 0.093,965 33,966 14,967 0.104,968 8,969 2,970 1.138,971 5.281,972 389.261,973 0.138,974 29,975 197.367,977 1,981 27.208,982 11.488,983 6.358,984 3.14,985 132.407,986 17.548,987 8.767,989 5.32,990 1.634,991 4.435,993 36.022,994 678.416,995 58.5,1000 12.424,1004 -0.389,1007 72.483,1008 81.145,1009 0.27,1010 0.633,1011 0.773,1012 0.841,1013 0.853,1014 0.853,1015 5.348,1016 2.019,1017 6.263,1018 6.955,1019 4.875,1020 5.414,1021 2.274,1022 7.096,1023 4.762,1024 6.573,1025 1.873,1026 7.836,1027 6.228,1028 4.575,1029 5.323,1030 1.305,1031 8.143,1032 4.443,1033 7.899,1034 1.725,1035 9.514,1036 5.276,1037 6.526,1038 7.674,1039 2.627,1040 11.182,1041 6.326,1042 9.261,1043 1.545,1044 11.256,1045 5.234,1046 7.04,1047 8.439,1048 2.354,1049 13.072,1050 6.831,1051 10.658,1052 1.332,1053 13.043,1054 3.93,1055 8.489,1056 10.284,1057 3.315,1058 15.68,1059 8.227,1060 12.078,1061 1.213,1062 14.86,1063 3.584,1064 9.364,1065 11.461,1066 3.414,1067 17.905,1068 9.094,1069 13.518,1070 1.104,1071 16.703,1072 3.233,1073 10.63,1074 13.115,1075 4.177,1076 20.389,1077 10.322,1078 3.327,1079 1,1080 18.564,1081 2.675,1082 11.672,1083 14.495,1084 4.466,1085 22.746,1086 11.353,1087 3.265,1088 11.699,1089 20.44,1090 2.275,1091 12.873,1092 16.08,1093 5.117,1094 25.196,1095 12.528,1096 2.834,1097 11.258,1098 22.33,1099 4.85,1100 13.991,1101 17.56,1102 5.504,1103 27.604,1104 13.635,1105 2.65,1106 9.096,1107 24.229,1108 3.918,1109 15.174,1110 19.125,1111 6.093,1112 30.046,1113 14.799,1114 2.539,1115 7.717,1116 26.138,1117 3.89,1118 16.327,1119 20.652,1120 6.531,1121 32.475,1122 15.941,1123 2.473,1124 7.48,1125 28.053,1126 3.538,1127 17.507,1128 22.215,1129 7.084,1130 34.917,1131 17.108,1132 2.351,1133 7.011,1134 29.974,1135 3.148,1136 18.678,1137 23.766,1138 7.551,1139 37.355,1140 18.27,1141 31501,1142 50293,1143 30.512,1144 48.398,1145 68.998,1146 69.621,1147 68.613,1148 68.062,1149 68.074,1150 88.155,1151 8.846,1152 200.451,1153 64.167,1154 5.749,1155 5.582,1156 6.92,1157 5.494,1158 5.327,1159 7.85,1160 2.912,1161 18.829,1162 5.322,1163 18.507,1164 1.533,1165 1.547,1166 1.525,1167 1.512,1168 1.513,1169 1.959,1170 0.197,1171 4.454,1172 1.426,1173 4.216,1174 4.242,1175 4.429,1176 4.155,1177 7.431,1178 4.129,1179 3.959,1180 3.989,1181 3.921,1182 3.852,1183 5.216,1184 3.849,1185 3.894,1186 3.921,1187 3.852,1188 3.774,1189 5.093,1190 3.79,1191 3.813,1192 3.873,1193 3.703,1194 3.594,1195 4.777,1196 3.609,1197 3.64,1198 3.679,1199 3.586,1200 3.49,1201 4.668,1202 3.503,1203 3.555,1204 3.615,1205 3.462,1206 3.359,1207 4.609,1208 3.372,1209 3.377,1210 3.43,1211 3.337,1212 3.168,1213 4.265,1214 3.17,1215 3.308,1216 3.35,1217 3.213,1218 3.078,1219 4.249,1220 3.085,1221 0.106,1222 0.08,1223 0.158,1224 0.096,1225 0.074,1226 4.749,1227 0.108,1228 3.582,1229 0.037,1230 7.118,1231 0.26,1232 4.326,1233 0.074,1234 3.327,1235 4.85,1236 1.656,1237 11.699,1238 3.322,1239 1.946,1240 1.926,1241 2.022,1242 2.045,1243 1.256,1244 2.04,1245 1.892,1246 1.87,1247 1.991,1248 1.999,1249 1.208,1250 1.997,1251 1.78,1252 1.739,1253 1.982,1254 1.969,1255 1.161,1256 1.964,1257 1.733,1258 1.671,1259 1.943,1260 1.924,1261 1.097,1262 1.947,1263 1.479,1264 1.447,1265 1.655,1266 1.737,1267 0.922,1268 1.69,1269 1.452,1270 1.406,1271 1.574,1272 1.672,1273 0.825,1274 1.658,1275 1.353,1276 1.309,1277 1.513,1278 1.547,1279 0.69,1280 1.569,1281 1.294,1282 1.247,1283 1.483,1284 1.458,1285 0.6,1286 1.444,1287 4.511,1289 5.861,1290 3.434,1291 7.38,1292 5.82,1293 8.976,1294 7.941,1295 10.617,1297 6.058,1303 5.072,1305 5.532,1306 11.425,1309 2.362,1310 -0.187,1314 46.023,1315 119.843,1316 281.202,1317 343.176,1318 373.441,1319 378.95,1320 378.95,1321 62.619,1322 9.326,1323 106.16,1324 134.4,1325 33,1326 13.012,1327 4.755,1328 3.858,1329 57.905,1330 262,1331 262,1332 0.105,1333 280.268,1334 472.23,1335 675.615,1336 197864,1338 27.692,1339 0.692,1340 0.59,1341 28.045,1342 23.585,1343 19.314,1344 0.429,1345 0.314,1346 13.161,1347 17.966,1348 12.717,1349 10.516,1350 19.722,1351 14.136,1352 18.528,1353 0.285,1354 0.182,1355 19.171,1356 11.805,1357 14.836,1358 0.177,1359 0.093,1360 15.608,1361 7.793,1362 12.629,1363 0.113,1364 0.05,1365 13.601,1366 5.554,1367 9.918,1368 0.072,1369 0.027,1370 10.867,1371 3.747,1372 0.175,1373 126.188,1374 0.181,1375 37.309,1376 0.263,1377 220,1378 645.049,1379 271.903,1380 632.891,1381 878.07,1382 596,1383 259,1384 650.803,1385 308.859,1386 666.909,1387 979.48,1388 626,1389 5}
{0 CHEMBL583144,1 2.061,2 5.125,3 3.264,4 10.656,5 65.057,6 13.557,7 0.556,8 3.201,9 3.246,10 3.318,11 3.001,12 4.483,13 2.96,14 3.661,15 3.713,16 3.805,17 3.444,18 5.012,19 3.374,20 3.832,21 3.89,22 4.067,23 3.528,24 5.222,25 3.44,26 3.675,27 3.713,28 3.909,29 3.355,30 5.178,31 3.255,32 3.322,33 3.394,34 3.506,35 2.888,36 4.805,37 2.813,38 3.153,39 3.231,40 3.244,41 2.438,42 5.002,43 2.449,44 2.633,45 2.862,46 0.92,47 1.59,48 3.722,49 1.325,50 1.298,51 1.682,52 0.021,53 0.361,54 1.386,55 0.189,56 0.113,57 0.258,58 1.504,59 0.957,60 9.071,61 0.855,62 0.213,63 0.434,64 2.884,65 1.771,66 15.743,67 1.502,68 0.306,69 0.498,70 12.25,71 3.479,72 33.449,73 2.637,74 0.301,75 0.39,76 12.694,77 3.001,78 33.892,79 2.076,80 0.214,81 0.279,82 8.431,83 1.98,84 20.15,85 1.517,86 0.292,87 0.214,88 4.078,89 1.477,90 28.95,91 1.091,92 0.189,93 0.149,94 7.846,95 1.675,96 21.692,97 1.365,98 0.036,99 0.04,100 3.274,101 0.711,102 4.4,103 0.972,104 10,105 27,106 0.424,107 0.779,108 0.828,109 0.869,110 0.89,111 0.89,112 2.858,113 0.999,114 -4,115 -3.95,116 -3.75,119 50,142 2,143 1,144 3,152 2,158 2,172 1,175 1,178 2,183 5,188 2,193 1,196 6,199 1,200 3,205 1,208 2,213 2,221 1,225 4,230 4,276 196,277 10.707,278 10.707,279 10.707,280 10.707,281 10.707,282 9.185,283 12.19,284 6.055,285 11.177,286 8.85,287 8.85,288 8.85,289 8.85,290 8.85,291 6.458,292 14.256,293 2.834,294 9.744,295 2.261,296 0.538,297 0.3,298 0.1,301 3.526,302 2,305 1,306 1,307 177,308 1.871,311 18.11,312 54.202,315 76.049,319 0.766,320 19.43,323 1,324 0.83,325 1,326 0.4,328 1,329 1,330 0.75,331 34.667,332 82,333 4.774,334 3.666,335 7.037,336 4.277,337 3.342,338 4.755,339 1.11,340 12.066,341 3.109,342 4.05,343 3.349,344 6.171,345 3.632,346 2.684,347 3.529,348 0.779,349 8.856,350 2.517,351 3.647,352 2.84,353 5.635,354 3.131,355 2.258,356 3.068,358 7.134,359 1.933,360 3.28,361 2.583,362 4.937,363 2.806,364 1.878,365 2.516,367 5.26,368 1.635,369 3.031,370 2.039,371 4.411,372 2.405,373 1.528,374 2.107,376 4.002,377 1.32,378 2.711,379 1.5,380 4.128,381 2.232,382 1.291,383 1.749,385 3.467,386 1.198,387 2.275,388 1.291,389 3.45,390 1.587,391 0.734,392 1.081,394 1.885,395 0.587,396 1.464,397 0.869,398 2.76,399 0.915,400 0.166,401 0.204,403 0.362,404 0.1,405 1.18,406 0.624,407 2.52,408 0.712,409 -0.259,410 -0.339,412 -0.612,413 -0.234,414 0.651,415 -0.16,416 2.357,417 0.118,418 -0.799,419 -1.05,421 -2.155,422 -0.555,423 0.33,424 -0.577,425 2.266,426 -0.155,427 -1,428 -1.208,430 -2.505,431 -0.74,432 0.195,433 -0.692,434 1.829,435 -0.331,436 -1.09,437 -1.527,439 -3.258,440 -0.972,441 -0.085,442 -1.055,443 1.489,444 -0.433,445 -1.379,446 -1.839,448 -3.783,449 -1.229,450 -0.245,451 -1.25,452 1.362,453 -0.788,454 -1.551,455 -2.057,457 -4.099,458 -1.395,459 -0.431,460 -1.647,461 1.265,462 -0.912,463 -1.886,464 -2.456,466 -5.905,467 -1.547,468 8.395,469 0.525,470 0.49,471 0.031,472 22.25,473 1.391,474 11.5,475 0.719,476 10.75,477 0.672,478 11.498,479 0.719,480 15.605,481 0.78,482 12.281,483 0.768,484 4.163,485 0.26,486 3.518,487 0.22,488 0.21,490 0.417,496 0.681,497 0.931,498 0.543,499 0.569,500 0.549,501 0.528,502 0.645,503 0.704,504 0.679,505 0.6,506 0.593,507 0.609,508 1.063,509 1.109,510 0.961,511 1.028,512 1.086,513 0.838,514 1.227,515 1.111,516 1.329,517 1.198,518 1.24,519 1.076,520 0.923,521 1.337,522 1.029,523 1.296,524 0.869,525 1.324,526 1.017,527 1.19,528 1.139,529 1.393,530 1.212,531 1.484,532 2.14,533 0.579,534 1.949,535 1.335,536 2.219,537 2.179,544 3,546 2.444,547 1.729,548 1.383,549 0.382,550 0.176,554 1714,555 7891,556 2.097,557 20,559 2,561 1,562 1,567 1.561,568 1.92,569 2.471,570 -0.107,574 1,577 41.219,578 2.061,579 3.784,580 4.022,581 4.222,582 4.322,583 4.322,584 1.546,585 3.875,586 3.977,587 2.502,588 300.216,589 6.74,590 2547.76,592 1,595 86.439,596 1.505,597 3.912,598 0.167,600 0.091,601 0.062,602 0.06,603 0.027,604 0.018,608 0.424,609 0.83,610 1,611 0.703,612 61.433,613 -0.111,614 0.015,615 -0.027,616 0.081,617 -0.061,618 0.07,619 0.012,620 0.28,621 -0.034,622 0.173,623 0.002,624 0.075,625 -0.16,626 -0.17,627 0.03,628 -0.005,629 -0.163,630 0.091,631 -0.176,632 -0.181,633 -0.22,634 -0.172,635 -0.165,636 -0.215,637 0.074,638 -0.42,639 0.023,640 -0.375,641 0.041,642 -0.365,643 0.479,644 -0.246,645 -0.031,646 -0.508,647 0.467,648 -0.489,649 -0.752,650 0.4,651 -0.562,652 0.055,653 -0.713,654 -0.25,655 0.897,656 0.995,657 1.605,658 2.065,659 0.751,660 3.484,661 1.835,662 4.6,663 0.813,664 7.406,665 1.051,666 1.092,667 2.772,668 7.686,669 0.868,670 2.944,671 3.332,672 3.689,673 4.025,674 4.29,675 4.369,676 4.382,677 4.454,678 4.248,679 3.97,680 3.483,681 0.833,682 271.13,683 2.944,684 4.511,685 5.407,686 6.33,687 7.249,688 8.178,689 9.104,690 10.034,691 10.962,692 11.893,693 10,700 1,702 1,708 2,709 2,713 1,714 4,716 10,723 1,734 2,735 20,737 12,738 1,739 18,741 22,742 10,743 8,744 4,745 2,746 2,748 3,749 6,750 2,762 10,767 2,772 1,774 1,775 1,776 1,783 4,784 3,785 1,786 6,787 3,792 2,793 1,797 0.333,798 1,815 1,816 2,819 2,843 1,845 1,848 2,851 16,860 1,869 1,873 2,874 5,877 1,881 8.333,882 3.819,883 3.417,884 1.112,886 2.632,887 1.404,888 1.057,889 2.331,890 9.151,891 3.258,892 3.956,893 4.669,894 5.371,895 5.96,896 6.379,897 6.701,898 7.106,899 7.161,900 7.126,901 0.5,902 28,903 5.868,905 2.619,906 8.014,907 10.856,909 9.189,911 2.514,912 40.222,913 0.001,916 35.313,917 77.989,918 34.796,919 78.297,920 25.145,922 31.278,923 46.711,924 138.756,925 34.796,927 18.011,928 18.952,929 50.239,930 29.116,931 2.104,932 54.82,933 78.297,934 35.313,935 81.507,936 25.145,937 109.575,939 35.313,940 25.145,943 34.796,944 46.711,945 78.297,946 31.278,947 35.313,948 59.941,949 156.286,952 35.313,953 50.417,954 27.571,955 18.011,956 120.228,957 35.313,958 59.941,959 156.286,961 0.601,962 0.372,963 0.211,964 0.122,965 16,966 7,969 2,970 1.308,971 2.732,972 119.991,973 0.308,974 13,975 64,977 1,981 10.355,982 3.602,983 1.455,984 1.55,985 59.941,986 3.428,990 1.306,991 2.3,993 18.011,994 251.54,995 25,1000 11.6,1002 1.369,1003 4.144,1004 -0.168,1007 21.022,1008 21.844,1009 0.477,1010 0.876,1011 0.931,1012 0.977,1013 1,1014 1,1015 4.516,1016 0.166,1017 5.434,1018 1.885,1019 4.007,1020 4.64,1021 1.543,1022 6.34,1023 3.82,1024 5.78,1025 -0.259,1026 7.055,1027 0.362,1028 3.761,1029 4.677,1031 7.427,1032 3.468,1033 7.135,1034 -0.799,1035 8.779,1036 -0.612,1037 5.687,1038 7.003,1039 1.564,1040 10.597,1041 5.367,1042 8.53,1043 -1,1044 10.561,1045 -2.155,1046 6.256,1047 7.894,1049 12.525,1050 5.837,1051 9.961,1052 -1.09,1053 12.381,1054 -2.505,1055 7.7,1056 9.722,1057 1.647,1058 15.234,1059 7.253,1060 11.417,1061 -1.379,1062 14.227,1063 -3.258,1064 8.631,1065 10.997,1067 17.5,1068 8.093,1069 12.893,1070 -1.551,1071 16.092,1072 -3.783,1073 9.905,1074 12.647,1075 1.773,1076 20.058,1077 9.325,1078 3.342,1079 -1.886,1080 17.972,1081 -4.099,1082 10.992,1083 14.088,1085 22.459,1086 10.327,1087 2.684,1088 12.066,1089 19.864,1090 -5.905,1091 12.21,1092 15.675,1093 1.924,1094 24.968,1095 11.49,1096 2.258,1097 8.856,1098 21.765,1099 4.755,1100 13.363,1101 17.185,1103 27.422,1104 12.563,1105 1.878,1106 7.134,1107 23.674,1108 3.529,1109 14.565,1110 18.751,1111 2.093,1112 29.916,1113 13.702,1114 1.528,1115 5.26,1116 25.589,1117 3.068,1118 15.746,1119 20.289,1121 32.391,1122 14.806,1123 1.291,1124 4.002,1125 27.51,1126 2.516,1127 16.945,1128 21.849,1129 2.272,1130 34.881,1131 15.938,1132 0.734,1133 3.467,1134 29.435,1135 2.107,1136 18.138,1137 23.399,1139 37.365,1140 17.056,1141 1727,1142 3780,1143 11.849,1144 17.352,1145 28.24,1146 29.905,1147 29.539,1148 27.745,1149 27.763,1150 38.02,1151 3.779,1152 86.066,1153 24.799,1154 5.598,1155 5.666,1156 6.565,1157 5.4,1158 5.342,1159 7.755,1160 2.22,1161 19.514,1162 5.109,1163 7.544,1164 1.569,1165 1.661,1166 1.641,1167 1.541,1168 1.542,1169 2.112,1170 0.21,1171 4.781,1172 1.378,1173 4.109,1174 4.108,1175 4.409,1176 4.132,1177 7.429,1178 4.083,1179 3.622,1180 3.66,1181 3.794,1182 3.483,1183 5.064,1184 3.486,1185 3.101,1186 3.136,1187 3.656,1188 3.054,1189 4.709,1190 2.99,1191 3.001,1192 3.005,1193 3.348,1194 2.899,1195 4.654,1196 2.893,1197 2.866,1198 2.868,1199 2.935,1200 2.642,1201 4.065,1202 2.682,1203 2.247,1204 2.315,1205 2.81,1206 2.095,1207 3.836,1208 2.082,1209 1.922,1210 1.926,1211 2.436,1212 1.938,1213 3.482,1214 1.78,1215 1.69,1216 1.801,1217 2.036,1218 1.502,1219 2.877,1220 1.417,1221 0.265,1222 0.204,1223 0.391,1224 0.238,1225 0.186,1226 4.774,1227 0.264,1228 3.666,1229 0.062,1230 7.037,1231 0.67,1232 4.277,1233 0.173,1234 3.342,1235 4.755,1236 1.11,1237 12.066,1238 3.109,1239 1.912,1240 1.908,1241 1.921,1242 1.962,1243 1.14,1244 1.964,1245 1.648,1246 1.636,1247 1.654,1248 1.808,1249 0.769,1250 1.796,1251 1.019,1252 1.005,1253 1.079,1254 1.13,1255 0.272,1256 1.139,1257 0.937,1258 0.908,1259 0.977,1260 1.077,1261 0.176,1262 1.095,1263 0.728,1264 0.702,1265 0.81,1266 0.905,1268 0.915,1269 0.481,1270 0.47,1271 0.589,1272 0.647,1274 0.691,1277 0.157,1278 0.197,1280 0.203,1287 3.611,1289 4.977,1290 2.398,1291 6.555,1292 4.844,1293 8.235,1294 7.096,1295 9.964,1298 12.162,1305 2.532,1314 16.653,1315 41.219,1316 75.684,1317 80.439,1318 84.439,1319 86.439,1320 86.439,1321 22.739,1322 6.519,1323 45.75,1324 73.99,1325 17,1326 12.395,1327 3.7,1328 3,1329 21.537,1330 35,1331 25,1332 0.346,1333 112.331,1334 186.56,1335 265.847,1336 4628,1337 10,1338 11.284,1339 0.705,1340 0.63,1341 12.638,1342 10.08,1343 7.682,1344 0.427,1345 0.333,1346 4.505,1347 6.491,1348 4.292,1349 3.486,1350 8.667,1351 5.994,1352 7.245,1353 0.268,1354 0.188,1355 8.576,1356 5.08,1357 6.476,1358 0.166,1359 0.109,1360 8.192,1361 4.263,1362 5.588,1363 0.102,1364 0.06,1365 7.263,1366 3.273,1367 4.77,1368 0.066,1369 0.034,1370 6.611,1371 2.447,1372 0.492,1373 58.008,1374 0.291,1375 15.332,1376 1.128,1377 90,1378 306.981,1379 152.373,1380 378.175,1381 494.82,1382 350,1383 111,1384 300.541,1385 171.173,1386 339.714,1387 508.38,1388 320,1389 5.1}
{0 CHEMBL590109,1 1.556,2 10.161,3 3.758,4 14.126,5 126.379,6 8.511,7 0.833,8 4.059,9 4.181,10 3.789,11 3.691,12 5.213,13 3.663,14 4.545,15 4.693,16 4.204,17 4.131,18 5.649,19 4.078,20 4.743,21 4.925,22 4.225,23 4.242,24 5.763,25 4.154,26 4.797,27 4.982,28 4.226,29 4.261,30 5.793,31 4.164,32 4.801,33 5.002,34 4.211,35 4.227,36 5.806,37 4.135,38 4.782,39 4.964,40 4.185,41 4.218,42 5.861,43 4.143,44 4.85,45 5.067,46 4.184,47 4.184,48 5.893,49 4.103,50 4.796,51 5.025,52 4.044,53 4.104,54 5.817,55 4,56 0.078,57 0.832,58 8.664,59 3.98,60 12.446,61 4.656,62 0.173,63 1.338,64 16.028,65 7.108,66 19.934,67 8.475,68 0.227,69 1.571,70 23.734,71 9.732,72 21.753,73 11.761,74 0.155,75 1.638,76 26.392,77 10.528,78 20.744,79 12.763,80 0.223,81 1.649,82 26.562,83 10.138,84 23.434,85 12.439,86 0.181,87 1.632,88 22.912,89 9.419,90 27.941,91 11.606,92 0.344,93 1.75,94 27.204,95 9.698,96 34.915,97 12.302,98 0.215,99 1.596,100 25.306,101 9.775,102 33.604,103 12.591,104 7,105 53,106 0.254,107 0.636,108 0.804,109 0.888,110 0.895,111 0.895,112 3.473,113 0.9,114 -3.61,115 -3.58,116 -3.41,119 46,125 2,142 7,143 5,145 2,146 1,150 1,151 1,152 4,163 2,164 2,165 2,168 1,172 10,174 1,175 3,177 2,178 2,180 2,183 16,187 2,188 4,190 1,191 1,193 2,196 13,200 7,205 4,208 9,210 1,213 8,215 1,216 1,218 4,221 10,223 2,225 3,227 2,228 2,230 5,233 8,235 3,237 2,238 8,241 2,243 6,246 8,248 4,250 4,254 1,255 2,257 2,258 4,260 2,262 1,263 1,264 6,266 1,267 2,268 1,269 2,271 1,274 2,276 1526,277 21.627,278 21.627,279 21.627,280 21.627,281 21.627,282 18.312,283 7.443,284 12.644,285 22.122,286 17.816,287 17.816,288 17.816,289 17.816,290 17.816,291 12.68,292 5,293 5.979,294 18.677,295 4.088,296 1.745,297 0.713,298 0.2,299 0.16,300 0.16,301 4.197,305 1,306 1,307 716,308 2.828,311 168.543,312 210.162,315 315.896,319 1.413,320 19.23,323 1,324 0.83,325 1,326 0.6,328 1,329 1,330 0.78,331 65.5,332 315,333 4.73,334 3.315,335 6.885,336 4.273,337 3.301,338 4.698,340 11.571,341 3.214,342 4.604,343 3.169,344 6.717,345 4.116,346 3.158,347 4.555,349 10.966,350 3.028,351 4.391,352 2.897,353 6.228,354 3.852,355 2.895,356 4.332,358 9.381,359 2.762,360 3.82,361 2.472,362 5.957,363 3.416,364 2.444,365 3.311,367 8.293,368 2.372,369 3.704,370 2.435,371 5.656,372 3.265,373 2.317,374 3.171,376 7.399,377 2.222,378 3.686,379 2.292,380 5.298,381 3.222,382 2.292,383 3.12,385 6.59,386 2.096,387 3.156,388 1.858,389 4.846,390 2.71,391 1.763,392 2.434,394 5.211,395 1.666,396 3.049,397 1.549,398 4.589,399 2.535,400 1.549,401 2.323,403 4.389,404 1.528,405 3.032,406 1.532,407 4.494,408 2.464,409 1.532,410 2.298,412 4.312,413 1.42,414 2.909,415 1.496,416 4.414,417 2.438,418 1.472,419 2.075,421 4.213,422 1.402,423 2.735,424 1.257,425 3.792,426 2.216,427 1.253,428 1.847,430 2.938,431 1.195,432 2.584,433 1.2,434 3.612,435 2.078,436 1.126,437 1.624,439 2.633,440 1.067,441 2.355,442 1.076,443 3.486,444 1.984,445 1.026,446 1.307,448 2.282,449 0.98,450 2.067,451 0.809,452 3.398,453 1.697,454 0.759,455 0.979,457 1.614,458 0.71,459 1.954,460 0.495,461 3.102,462 1.444,463 0.488,464 0.714,466 1.302,467 0.463,468 15.133,469 0.488,470 0.722,471 0.023,472 45.25,473 1.46,474 24.5,475 0.79,476 20.75,477 0.669,478 24.518,479 0.791,480 30.467,481 0.609,482 33.478,483 1.08,484 8.695,485 0.28,486 6.513,487 0.21,488 0.053,490 0.39,496 1.034,497 0.977,498 0.713,499 0.73,500 1.184,501 0.714,502 0.891,503 0.859,504 0.783,505 0.765,506 0.689,507 0.768,508 0.842,509 0.863,510 0.999,511 0.943,512 0.739,513 0.914,514 0.879,515 1.111,516 1.089,517 1.138,518 0.761,519 1.039,520 0.985,521 1.01,522 1.003,523 0.996,524 0.885,525 0.948,526 0.964,527 1.149,528 0.991,529 1.084,530 0.884,531 1.079,532 1.068,533 1.012,534 0.936,535 0.965,536 1.098,537 0.988,538 1.035,539 1.094,540 0.88,541 0.964,542 1.023,543 1.039,544 5.5,545 0.158,546 3.556,547 2.368,548 1.925,549 1.157,550 0.776,551 0.637,552 0.316,553 0.246,554 12773,555 33109,556 2.238,557 38,559 11,560 1,561 2,562 5,567 1.744,568 2.138,569 3.331,570 2.381,572 1,577 77.789,578 1.556,579 3.899,580 4.931,581 5.444,582 5.484,583 5.484,584 2.721,585 4.503,586 4.926,587 3.468,588 1612.4,589 8.644,590 21869.6,592 1,595 282.193,596 1.26,597 4.905,598 0.153,599 0.007,600 0.067,601 0.045,602 0.037,603 0.023,604 0.015,605 0.013,606 0.008,607 0.008,608 0.375,609 0.17,610 0.88,611 0.735,612 157.349,613 -0.089,614 0.111,615 0.044,616 0.134,617 -0.227,618 0.101,619 0.027,620 0.197,621 0.075,622 0.164,623 0.064,624 0.105,625 0.019,626 0.14,627 -0.011,628 0.072,629 -0.01,630 0.041,631 -0.058,632 -0.128,633 -0.054,634 -0.091,635 -0.038,636 -0.061,637 -0.055,638 -0.017,639 0.007,640 0.015,641 -0.028,642 0.022,643 -0.034,644 -0.147,645 -0.123,646 -0.161,647 0.008,648 -0.158,649 0.034,650 -0.003,651 -0.011,652 -0.042,653 -0.068,654 -0.046,655 -0.042,656 -0.135,657 0.028,658 -0.035,659 0.025,660 -0.056,661 1.409,662 1.923,663 0.871,664 27.007,665 1.002,666 1.118,667 2.377,668 5.652,669 0.725,670 3.611,671 3.989,672 4.357,673 4.727,674 5.004,675 5.209,676 5.438,677 5.663,678 5.787,679 5.951,680 6.168,681 0.69,682 425.56,683 3.611,684 5.187,685 6.084,686 7.004,687 7.921,688 8.848,689 9.773,690 10.703,691 11.631,692 12.562,693 14,694 1,697 1,701 2,703 3,708 6,709 10,710 3,711 1,713 1,714 5,715 1,716 30,727 1,735 50,737 30,738 2,739 36,741 55,742 23,743 21,744 6,745 6,748 6,749 9,754 1,762 21,763 2,780 1,783 19,784 5,785 5,786 8,787 1,792 7,797 0.5,807 1,810 1,811 1,815 3,816 3,819 3,836 1,843 3,845 1,851 31,852 2,858 2,869 1,881 14.5,882 8.967,883 6.639,884 2.883,886 5.922,887 1.679,888 1.115,889 4.351,890 14.648,891 3.951,892 4.689,893 5.433,894 6.165,895 6.769,896 7.287,897 7.863,898 8.439,899 8.862,900 9.389,901 0.857,902 53,903 11.386,905 5.002,906 7.586,907 22.035,909 18.97,911 2.086,912 64.667,915 1,916 164.795,917 154.103,918 134.591,922 31.278,923 122.826,924 164.795,925 134.591,927 37.109,928 108.278,929 73.776,930 53.504,931 20.063,932 160.76,934 164.795,935 257.416,937 31.278,939 164.795,943 77.809,944 129.373,945 50.234,946 31.278,947 164.795,948 134.591,949 154.103,952 164.795,953 60.627,954 95.375,955 16.663,956 116.028,957 164.795,958 134.591,959 154.103,961 0.586,962 0.355,963 0.211,964 0.12,965 30,966 12,967 0.073,968 4,969 3,970 1.222,971 4.181,972 315.73,973 0.222,974 27,975 153.58,977 1,981 18.636,982 7.238,983 3.049,984 6.314,985 116.028,986 20.706,987 13.023,988 3.171,990 1.777,991 4.627,992 2.086,993 82.457,994 453.489,995 51,1007 50.091,1008 55.899,1009 0.276,1010 0.691,1011 0.874,1012 0.965,1013 0.972,1014 0.972,1015 5.196,1016 1.549,1017 6.084,1018 5.211,1019 4.673,1020 5.378,1022 6.965,1023 4.584,1024 6.451,1025 1.532,1026 7.677,1027 4.389,1028 4.29,1029 5.316,1031 7.953,1032 4.164,1033 7.796,1034 1.472,1035 9.37,1036 4.312,1037 6.326,1038 7.765,1040 11.118,1041 6.164,1042 9.183,1043 1.253,1044 11.123,1045 4.213,1046 6.804,1047 8.581,1049 12.952,1050 6.605,1051 10.605,1052 1.126,1053 12.914,1054 2.938,1055 8.29,1056 10.466,1058 15.62,1059 8.063,1060 12.051,1061 1.026,1062 14.73,1063 2.633,1064 9.152,1065 11.678,1067 17.797,1068 8.89,1069 13.517,1070 0.759,1071 16.566,1072 2.282,1073 10.431,1074 13.343,1076 20.3,1077 10.143,1078 3.301,1079 0.488,1080 18.417,1081 1.614,1082 11.466,1083 14.732,1085 22.619,1086 11.144,1087 3.158,1088 11.571,1089 20.278,1090 1.302,1091 12.668,1092 16.309,1094 25.067,1095 12.319,1096 2.895,1097 10.966,1098 22.147,1099 4.698,1100 13.777,1101 17.775,1103 27.446,1104 13.397,1105 2.444,1106 9.381,1107 24.024,1108 4.555,1109 14.954,1110 19.319,1112 29.878,1113 14.547,1114 2.317,1115 8.293,1116 25.907,1117 4.332,1118 16.097,1119 20.818,1121 32.284,1122 15.66,1123 2.292,1124 7.399,1125 27.795,1126 3.311,1127 17.267,1128 22.35,1130 34.711,1131 16.803,1132 1.763,1133 6.59,1134 29.686,1135 3.171,1136 18.426,1137 23.865,1139 37.13,1140 17.933,1141 11605,1142 18837,1143 24.967,1144 36.256,1145 55.912,1146 55.334,1147 56.725,1148 55.458,1149 55.443,1150 78.618,1152 167.91,1153 52.87,1154 5.453,1155 5.315,1156 6.648,1157 5.387,1158 5.301,1159 7.698,1161 18.989,1162 5.214,1163 10.555,1164 1.553,1165 1.537,1166 1.576,1167 1.54,1168 1.54,1169 2.184,1171 4.664,1172 1.469,1173 4.205,1174 4.235,1175 4.354,1176 4.168,1177 5.259,1178 4.143,1179 4.07,1180 4.1,1181 4.124,1182 4.013,1183 5.09,1184 4.002,1185 3.972,1186 4.004,1187 3.966,1188 3.861,1189 5.009,1190 3.876,1191 3.541,1192 3.633,1193 3.462,1194 3.347,1195 4.852,1196 3.319,1197 3.428,1198 3.491,1199 3.431,1200 3.307,1201 4.774,1202 3.312,1203 3.35,1204 3.395,1205 3.318,1206 3.222,1207 4.371,1208 3.233,1209 3.177,1210 3.26,1211 3.08,1212 2.944,1213 4.197,1214 2.962,1215 2.906,1216 2.961,1217 2.921,1218 2.851,1219 4.071,1220 2.805,1221 0.131,1222 0.092,1223 0.191,1224 0.119,1225 0.092,1226 4.73,1227 0.131,1228 3.315,1230 6.885,1231 0.321,1232 4.273,1233 0.089,1234 3.301,1235 4.698,1237 11.571,1238 3.214,1239 1.988,1240 1.974,1241 2.042,1242 2.051,1243 1.24,1244 2.047,1245 1.917,1246 1.901,1247 1.995,1248 2.006,1249 1.135,1250 1.99,1251 1.812,1252 1.765,1253 1.914,1254 1.965,1255 1.125,1256 1.981,1257 1.603,1258 1.55,1259 1.75,1260 1.812,1261 0.864,1262 1.802,1263 1.422,1264 1.397,1265 1.513,1266 1.644,1267 0.672,1268 1.607,1269 1.283,1270 1.221,1271 1.462,1272 1.505,1273 0.572,1274 1.5,1275 1.216,1276 1.14,1277 1.359,1278 1.386,1279 0.335,1280 1.417,1281 1.029,1282 0.943,1283 1.266,1284 1.338,1285 0.264,1286 1.33,1287 4.29,1289 5.652,1290 3.434,1291 7.209,1292 5.82,1293 8.858,1294 7.947,1295 10.558,1301 11.752,1303 1.211,1314 34.498,1315 77.789,1316 194.958,1317 246.541,1318 272.193,1319 274.193,1320 274.193,1321 35.838,1322 8.726,1323 111.43,1324 139.67,1325 33,1326 13.064,1327 4.954,1328 4,1329 39.272,1330 114,1331 117,1332 0.168,1333 210.596,1334 330.73,1335 505.615,1336 80278,1338 20.949,1339 0.676,1340 0.56,1341 21.303,1342 17.356,1343 15.208,1344 0.422,1345 0.3,1346 9.948,1347 14.304,1348 9.691,1349 7.983,1350 15.616,1351 10.806,1352 13.981,1353 0.264,1354 0.162,1355 14.623,1356 8.577,1357 12.544,1358 0.163,1359 0.087,1360 13.35,1361 6.708,1362 11.421,1363 0.102,1364 0.047,1365 12.328,1366 5.226,1367 9.565,1368 0.065,1369 0.025,1370 10.412,1371 3.704,1372 0.257,1373 98.363,1374 0.2,1375 28.394,1376 0.487,1377 178,1378 446.398,1379 214.808,1380 470.631,1381 674.73,1382 444,1383 219,1384 513.56,1385 254.54,1386 541.101,1387 803.07,1388 512,1389 6.272}
{0 CHEMBL592030,1 1.541,2 10.781,3 3.821,4 14.599,5 131.245,6 8.294,7 0.811,8 4.107,9 4.231,10 3.815,11 3.734,12 5.241,13 3.701,14 4.604,15 4.757,16 4.223,17 4.173,18 5.681,19 4.114,20 4.813,21 5.006,22 4.244,23 4.284,24 5.797,25 4.189,26 4.866,27 5.064,28 4.247,29 4.302,30 5.834,31 4.199,32 4.86,33 5.069,34 4.241,35 4.278,36 5.826,37 4.182,38 4.844,39 5.024,40 4.235,41 4.284,42 5.892,43 4.207,44 4.939,45 5.16,46 4.243,47 4.262,48 5.981,49 4.176,50 4.881,51 5.112,52 4.104,53 4.185,54 5.865,55 4.08,56 0.073,57 0.873,58 9.718,59 4.337,60 12.803,61 5.263,62 0.17,63 1.408,64 18.076,65 7.804,66 21.162,67 9.61,68 0.205,69 1.659,70 26.718,71 10.69,72 23.89,73 13.316,74 0.2,75 1.741,76 29.619,77 11.394,78 26.136,79 14.217,80 0.233,81 1.729,82 29.262,83 10.943,84 24.478,85 13.823,86 0.119,87 1.724,88 24.867,89 10.117,90 24.323,91 12.765,92 0.4,93 1.902,94 30.436,95 10.694,96 42.935,97 13.983,98 0.2,99 1.722,100 28.147,101 10.611,102 31.78,103 13.947,104 8,105 54,106 0.249,107 0.637,108 0.811,109 0.889,110 0.895,111 0.895,112 3.503,113 0.917,114 -3.82,115 -3.78,116 -3.59,119 45.3,121 1,125 2,142 7,143 5,145 2,146 1,150 1,151 1,152 4,163 2,164 2,165 2,168 1,172 10,174 1,175 4,177 2,178 2,180 3,183 16,185 1,187 2,188 4,193 2,196 13,200 7,202 1,203 1,205 4,208 10,210 1,213 10,215 1,216 1,218 3,221 11,223 1,225 3,230 5,233 10,235 3,237 2,238 8,240 2,241 4,243 6,246 10,248 4,250 4,255 2,258 4,260 2,263 1,264 7,266 1,267 2,268 2,269 5,271 3,272 2,274 4,275 1,276 1712,277 22.334,278 22.334,279 22.334,280 22.334,281 22.334,282 19.019,283 9.487,284 13.169,285 22.828,286 18.316,287 18.316,288 18.316,289 18.316,290 18.316,291 13.18,292 7.5,293 6.274,294 19.171,295 4.187,296 1.788,297 0.71,298 0.226,299 0.189,300 0.189,301 4.227,306 1,307 781,308 3,311 176.472,312 219.55,315 330.277,319 1.496,320 19.679,323 1,324 0.83,325 1,326 0.6,328 1,329 1,330 0.78,331 67.5,332 345,333 4.73,334 3.315,335 6.885,336 4.273,337 3.301,338 4.699,340 11.571,341 3.214,342 4.604,343 3.169,344 6.717,345 4.116,346 3.159,347 4.555,349 10.966,350 3.028,351 4.391,352 2.897,353 6.228,354 3.852,355 2.895,356 4.332,358 9.381,359 2.762,360 3.82,361 2.473,362 5.957,363 3.417,364 2.445,365 3.311,367 8.295,368 2.373,369 3.704,370 2.436,371 5.656,372 3.265,373 2.32,374 3.171,376 7.399,377 2.222,378 3.687,379 2.292,380 5.299,381 3.226,382 2.292,383 3.12,385 6.596,386 2.102,387 3.159,388 1.875,389 4.846,390 2.742,391 1.788,392 2.436,394 5.22,395 1.702,396 3.049,397 1.55,398 4.59,399 2.535,400 1.549,401 2.323,403 4.392,404 1.528,405 3.032,406 1.537,407 4.495,408 2.474,409 1.532,410 2.298,412 4.312,413 1.456,414 2.915,415 1.532,416 4.414,417 2.464,418 1.506,419 2.081,421 4.223,422 1.403,423 2.736,424 1.401,425 3.807,426 2.278,427 1.318,428 1.848,430 2.948,431 1.261,432 2.591,433 1.25,434 3.618,435 2.208,436 1.246,437 1.631,439 2.796,440 1.187,441 2.47,442 1.095,443 3.506,444 2.045,445 1.087,446 1.465,448 2.441,449 1.038,450 2.244,451 0.86,452 3.406,453 1.772,454 0.826,455 1.154,457 2.051,458 0.779,459 1.976,460 0.514,461 3.33,462 1.457,463 0.499,464 0.73,466 1.382,467 0.475,468 15.633,469 0.489,470 0.722,471 0.023,472 45.75,473 1.43,474 24.5,475 0.766,476 21.25,477 0.664,478 26.397,479 0.825,480 31.767,481 0.599,482 34.059,483 1.064,484 8.701,485 0.272,486 7.007,487 0.219,488 0.051,490 0.377,496 1.025,497 0.995,498 0.727,499 0.757,500 1.161,501 0.744,502 0.878,503 0.883,504 0.795,505 0.795,506 0.674,507 0.801,508 0.859,509 0.911,510 0.975,511 0.946,512 0.73,513 0.911,514 0.884,515 1.034,516 1.068,517 1.08,518 0.824,519 0.999,520 0.974,521 0.955,522 0.969,523 0.944,524 0.764,525 0.9,526 1.029,527 1.25,528 0.988,529 1.111,530 0.964,531 1.092,532 1.019,533 0.966,534 0.932,535 0.955,536 1.079,537 0.989,538 1.103,539 1.115,540 0.882,541 0.955,542 1.022,543 1.024,544 5.5,545 0.17,546 3.556,547 2.368,548 1.925,549 1.157,550 0.831,551 0.653,552 0.361,553 0.256,554 13926,555 35174,556 2.23,557 39.6,559 11,560 1,561 2,562 5,565 2,567 1.752,568 2.133,569 3.394,570 2.345,577 81.651,578 1.541,579 3.94,580 5.018,581 5.502,582 5.539,583 5.539,584 2.843,585 4.625,586 4.97,587 3.53,588 1750.96,589 8.734,590 24386.6,592 1,595 303.58,596 1.248,597 4.952,598 0.149,599 0.007,600 0.066,601 0.044,602 0.036,603 0.022,604 0.015,605 0.013,606 0.008,607 0.008,608 0.367,609 0.17,610 0.88,611 0.875,612 164.518,613 -0.072,614 0.104,615 0.049,616 0.126,617 -0.193,618 0.096,619 0.043,620 0.178,621 0.077,622 0.148,623 0.088,624 0.093,626 0.088,627 0.021,628 0.075,629 0.005,630 0.06,631 -0.023,632 -0.042,633 -0.026,634 -0.034,635 -0.056,636 -0.015,637 -0.045,638 0.04,639 0.042,640 0.07,641 0.015,642 0.077,643 -0.113,644 -0.239,645 -0.127,646 -0.185,647 -0.081,648 -0.168,649 0.111,650 0.054,651 -0.014,652 -0.039,653 -0.01,654 -0.053,655 -0.099,656 -0.147,657 0.014,658 -0.034,659 -0.03,660 -0.053,661 1.399,662 1.953,663 0.844,664 29.563,665 1,666 1.119,667 2.589,668 6.701,669 0.717,670 3.638,671 4.007,672 4.369,673 4.736,674 5.017,675 5.226,676 5.46,677 5.69,678 5.817,679 5.979,680 6.391,681 0.68,682 439.59,683 3.638,684 5.209,685 6.103,686 7.018,687 7.933,688 8.858,689 9.782,690 10.711,691 11.639,692 12.57,693 13.2,694 1,697 1,701 2,703 3,708 6,709 10,710 3,711 1,713 1,714 5,715 1,716 30,727 1,735 53,737 30,738 2,739 37,741 58,742 24,743 21,744 6,745 6,748 6,749 9,754 1,760 1,762 21,763 3,783 21,784 5,785 5,786 8,787 1,792 7,797 0.5,807 1,810 1,811 1,815 3,816 3,819 3,836 1,843 3,845 1,851 32,852 2,858 3,869 1,881 15,882 9.467,883 6.889,884 3.133,886 5.922,887 1.674,888 1.103,889 4.757,890 14.709,891 3.97,892 4.698,893 5.438,894 6.167,895 6.773,896 7.291,897 7.869,898 8.446,899 8.87,900 9.397,901 1,902 54,903 11.765,905 5.143,906 7.568,907 22.851,909 19.636,911 2.068,912 66.167,916 188.338,917 156.638,918 134.591,922 31.278,923 125.36,924 188.338,925 134.591,927 39.643,928 108.278,929 73.776,930 53.504,931 20.063,932 184.302,934 188.338,935 259.951,937 31.278,939 164.795,940 23.542,943 80.343,944 129.373,945 50.234,946 31.278,947 188.338,948 134.591,949 156.638,952 188.338,953 63.162,954 95.375,955 16.663,956 116.028,957 188.338,958 134.591,959 156.638,961 0.583,962 0.35,963 0.205,964 0.119,965 30,966 12,967 0.086,968 5,969 3,970 1.222,971 4.272,972 327.105,973 0.222,974 27,975 160,977 1,981 19.56,982 7.783,983 3.336,984 6.392,985 116.028,986 20.84,987 13.108,988 3.181,990 1.782,991 4.686,992 2.162,993 82.457,994 479.566,995 52,1007 52.974,1008 59.315,1009 0.269,1010 0.688,1011 0.876,1012 0.96,1013 0.967,1014 0.967,1015 5.212,1016 1.549,1017 6.098,1018 5.22,1019 4.691,1020 5.387,1022 6.973,1023 4.605,1024 6.462,1025 1.532,1026 7.687,1027 4.392,1028 4.29,1029 5.316,1031 7.953,1032 4.164,1033 7.803,1034 1.506,1035 9.376,1036 4.312,1037 6.337,1038 7.768,1040 11.119,1041 6.177,1042 9.188,1043 1.318,1044 11.127,1045 4.223,1046 6.804,1047 8.581,1049 12.952,1050 6.605,1051 10.608,1052 1.246,1053 12.916,1054 2.948,1055 8.295,1056 10.467,1058 15.621,1059 8.069,1060 12.054,1061 1.087,1062 14.732,1063 2.796,1064 9.152,1065 11.678,1067 17.797,1068 8.891,1069 13.518,1070 0.826,1071 16.567,1072 2.441,1073 10.434,1074 13.343,1076 20.301,1077 10.145,1078 3.301,1079 0.499,1080 18.417,1081 2.051,1082 11.466,1083 14.732,1085 22.619,1086 11.144,1087 3.159,1088 11.571,1089 20.278,1090 1.382,1091 12.669,1092 16.309,1094 25.068,1095 12.321,1096 2.895,1097 10.966,1098 22.148,1099 4.699,1100 13.778,1101 17.775,1103 27.446,1104 13.398,1105 2.445,1106 9.381,1107 24.025,1108 4.555,1109 14.955,1110 19.319,1112 29.878,1113 14.548,1114 2.32,1115 8.295,1116 25.907,1117 4.332,1118 16.098,1119 20.819,1121 32.284,1122 15.66,1123 2.292,1124 7.399,1125 27.795,1126 3.311,1127 17.268,1128 22.35,1130 34.712,1131 16.803,1132 1.788,1133 6.596,1134 29.687,1135 3.171,1136 18.427,1137 23.865,1139 37.13,1140 17.933,1141 12715,1142 20372,1143 25.66,1144 38.017,1145 56.939,1146 56.715,1147 58.105,1148 56.647,1149 56.655,1150 79.826,1152 170.387,1153 54.086,1154 5.528,1155 5.315,1156 6.745,1157 5.387,1158 5.301,1159 7.699,1161 18.99,1162 5.214,1163 10.881,1164 1.539,1165 1.533,1166 1.57,1167 1.531,1168 1.531,1169 2.157,1171 4.605,1172 1.462,1173 4.206,1174 4.236,1175 4.354,1176 4.168,1177 5.258,1178 4.144,1179 4.071,1180 4.101,1181 4.124,1182 4.014,1183 5.09,1184 4.003,1185 3.973,1186 4.005,1187 3.967,1188 3.862,1189 5.006,1190 3.877,1191 3.613,1192 3.696,1193 3.472,1194 3.429,1195 4.852,1196 3.423,1197 3.438,1198 3.508,1199 3.462,1200 3.347,1201 4.784,1202 3.312,1203 3.367,1204 3.417,1205 3.351,1206 3.226,1207 4.371,1208 3.244,1209 3.234,1210 3.305,1211 3.157,1212 3.004,1213 4.206,1214 3.028,1215 2.945,1216 3.063,1217 2.926,1218 2.851,1219 4.09,1220 2.806,1221 0.128,1222 0.09,1223 0.186,1224 0.115,1225 0.089,1226 4.73,1227 0.127,1228 3.315,1230 6.885,1231 0.313,1232 4.273,1233 0.087,1234 3.301,1235 4.699,1237 11.571,1238 3.214,1239 1.988,1240 1.974,1241 2.043,1242 2.051,1243 1.242,1244 2.047,1245 1.917,1246 1.901,1247 1.995,1248 2.011,1249 1.228,1250 1.996,1251 1.82,1252 1.772,1253 1.955,1254 1.966,1255 1.135,1256 1.986,1257 1.646,1258 1.591,1259 1.789,1260 1.843,1261 0.895,1262 1.84,1263 1.445,1264 1.417,1265 1.568,1266 1.659,1267 0.735,1268 1.632,1269 1.359,1270 1.308,1271 1.491,1272 1.59,1273 0.63,1274 1.57,1275 1.218,1276 1.142,1277 1.363,1278 1.39,1279 0.393,1280 1.421,1281 1.086,1282 1.002,1283 1.315,1284 1.347,1285 0.331,1286 1.346,1287 4.317,1289 5.673,1290 3.434,1291 7.223,1292 5.82,1293 8.868,1294 7.947,1295 10.565,1301 11.709,1303 2.306,1314 36.024,1315 81.651,1316 208.835,1317 265.928,1318 291.58,1319 293.58,1320 293.58,1321 38.062,1322 8.787,1323 111.43,1324 139.67,1325 33,1326 13.072,1327 4.954,1328 4,1329 41.084,1330 121,1331 141,1332 0.165,1333 220.188,1334 348.03,1335 529.02,1336 86614,1338 21.656,1339 0.677,1340 0.564,1341 22.01,1342 18.063,1343 15.708,1344 0.425,1345 0.306,1346 10.448,1347 14.804,1348 10.182,1349 8.399,1350 16.116,1351 11.306,1352 14.334,1353 0.265,1354 0.165,1355 14.976,1356 8.931,1357 12.813,1358 0.164,1359 0.089,1360 13.619,1361 6.941,1362 11.517,1363 0.102,1364 0.047,1365 12.424,1366 5.349,1367 9.73,1368 0.065,1369 0.026,1370 10.577,1371 3.826,1372 0.252,1373 101.363,1374 0.197,1375 29.233,1376 0.474,1377 182,1378 450.398,1379 218.808,1380 474.792,1381 680.49,1382 448,1383 223,1384 517.56,1385 258.513,1386 545.261,1387 808.8,1388 516,1389 6.3}
{0 CHEMBL601719,1 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 7,238 5,240 2,241 2,243 4,246 4,248 3,250 7,255 2,258 4,260 1,267 1,269 2,272 1,274 2,276 1486,277 20.068,278 20.068,279 20.068,280 20.068,281 20.068,282 17.901,283 23.489,284 11.629,285 20.687,286 16.228,287 16.228,288 16.228,289 16.228,290 16.228,291 13.008,292 28.517,293 5.49,294 17.389,295 3.922,296 1.637,297 0.683,298 0.515,299 0.515,300 0.515,301 4.132,302 2,305 1,306 1,307 762,308 3,311 82.892,312 310.356,319 1.916,320 36.219,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 65.667,332 353,333 4.492,334 3.623,335 6.78,336 4.095,337 3.167,338 4.165,339 1.151,340 10.939,341 2.952,342 4.382,343 3.179,344 6.323,345 3.994,346 3.027,347 4.065,348 0.4,349 9.687,350 2.88,351 4.13,352 3.043,353 6.112,354 3.767,355 2.822,356 3.69,358 8.943,359 2.668,360 3.736,361 2.892,362 5.875,363 3.479,364 2.518,365 3.005,367 8.103,368 2.407,369 3.581,370 2.654,371 5.572,372 3.2,373 2.29,374 2.894,376 6.876,377 2.059,378 3.222,379 2.472,380 4.891,381 2.845,382 1.948,383 2.416,385 5.281,386 1.798,387 3.117,388 2.103,389 4.634,390 2.796,391 1.869,392 2.251,394 4.921,395 1.589,396 2.889,397 2.021,398 4.349,399 2.425,400 1.518,401 2.029,403 4.026,404 1.354,405 2.657,406 1.627,407 4.116,408 2.364,409 1.414,410 1.69,412 3.494,413 1.34,414 2.538,415 1.564,416 4.032,417 2.151,418 1.24,419 1.546,421 3.212,422 1.09,423 2.225,424 1.077,425 3.466,426 1.984,427 1,428 1.145,430 2.429,431 0.983,432 2.076,433 1,434 3.263,435 1.902,436 0.934,437 1,439 2.136,440 0.902,441 2,442 0.881,443 3.247,444 1.598,445 0.666,446 0.949,448 1.634,449 0.619,450 1.459,451 0.775,452 3.046,453 1.08,454 0.219,455 0.257,457 0.504,458 0.165,459 1.427,460 0.676,461 2.718,462 0.986,463 0.188,464 0.224,466 0.427,467 0.141,468 14.548,469 0.485,470 0.822,471 0.027,472 36.75,473 1.225,474 17,475 0.567,476 19.75,477 0.658,478 28.716,479 0.957,480 32.852,481 0.632,482 28.006,483 0.934,484 7.035,485 0.234,486 7.401,487 0.247,488 0.18,490 0.371,494 1,496 0.701,497 1.135,498 0.571,499 0.917,500 0.649,501 0.868,502 0.853,503 1.106,504 0.64,505 0.903,506 0.585,507 0.877,508 1.005,509 0.976,510 0.807,511 0.867,512 0.766,513 0.881,514 0.945,515 0.998,516 0.985,517 1.072,518 0.813,519 1.043,520 0.921,521 0.856,522 1.083,523 1.014,524 0.836,525 1.005,526 0.936,527 1.017,528 0.727,529 0.859,530 1.02,531 0.946,532 0.555,533 1.045,534 0.845,535 1.106,536 0.625,537 1.05,538 0.977,539 0.996,540 1.025,541 1.007,542 0.917,543 1.025,544 6,545 0.18,546 4.222,547 2.25,548 1.829,549 1.039,550 0.652,551 0.438,552 0.396,553 0.221,554 12062,555 37175,556 2.067,557 42.3,559 9,560 1,561 2,562 3,564 3,565 4,567 1.728,568 1.915,569 3.52,570 0.933,572 1,577 92.467,578 1.778,579 4.063,580 5.018,581 5.186,582 5.186,583 5.186,584 2.94,585 4.707,586 4.88,587 3.698,588 1608.53,589 8.51,590 22407.8,592 1,595 296.423,596 1.475,597 4.828,598 0.182,599 0.007,600 0.09,601 0.046,602 0.041,603 0.026,604 0.017,605 0.011,606 0.012,607 0.008,608 0.44,609 0.17,610 1,611 0.594,612 154.477,613 -0.04,614 -0.029,615 0.011,616 0.004,617 -0.063,618 0.028,619 -0.065,620 -0.082,621 0.05,622 0.021,623 0.049,624 0.044,625 0.001,626 -0.002,627 0.076,628 0.088,629 0.091,630 0.07,631 0.03,632 -0.094,633 0.057,634 -0.084,635 -0.004,636 -0.068,637 0.062,638 0.078,639 -0.087,640 -0.045,641 0.073,642 -0.029,643 -0.048,644 -0.008,645 0.019,646 0.079,647 -0.097,648 0.015,649 0.159,650 -0.124,651 0.086,652 -0.128,653 0.121,654 -0.058,655 -0.027,656 -0.018,657 -0.059,658 -0.047,659 0.044,660 -0.054,661 2.225,662 5.882,663 0.767,664 28.804,665 1.016,666 1.136,667 3.666,668 13.438,669 0.688,670 3.526,671 3.871,672 4.159,673 4.394,674 4.575,675 4.615,676 4.71,677 4.804,678 4.927,679 5.011,680 7.009,681 0.656,682 450.38,683 3.526,684 5.081,685 5.943,686 6.825,687 7.7,688 8.585,689 9.465,690 10.35,691 11.232,692 12.119,693 9.6,695 1,697 1,701 1,703 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 5,797 1,798 1,807 1,809 1,815 1,816 3,838 1,843 4,847 1,848 2,849 1,851 30,852 1,858 4,860 1,861 1,863 2,873 3,874 1.9,879 1,881 15.667,882 9.445,883 6.528,884 3.151,886 3.154,887 1.409,888 0.991,889 6.487,890 10.871,891 3.75,892 4.36,893 4.934,894 5.467,895 5.916,896 6.163,897 6.458,898 6.804,899 7.172,900 7.457,901 0.875,902 49,903 11.117,905 4.833,906 7.841,907 21.013,909 17.484,911 2.341,912 70.222,915 1,916 223.651,917 106.927,918 86.133,919 78.297,920 11,921 14.96,923 106.927,924 312.948,925 101.093,926 8.825,927 9.28,928 88.384,929 56.991,930 61.794,931 29.059,932 188.338,933 78.297,934 223.651,935 193.06,936 25.96,937 78.297,939 156.213,940 93.398,943 55.988,944 103.624,945 111.746,947 238.611,948 97.133,949 185.224,952 223.651,953 42.531,954 66.173,955 18.011,956 170.603,957 223.651,958 112.093,959 185.224,961 0.591,962 0.355,963 0.186,964 0.097,965 23,966 11,967 0.091,968 5,970 1,971 4.095,972 269.596,974 23,975 143.207,981 21.378,982 9.103,983 4.597,985 110.316,986 9.963,987 8.774,991 2.383,992 2.002,993 50.908,994 520.968,995 41.5,1007 52.832,1008 59.081,1009 0.312,1010 0.713,1011 0.88,1012 0.91,1013 0.91,1014 0.91,1015 5.006,1016 1.518,1017 5.943,1018 4.921,1019 4.554,1020 5.047,1021 1.378,1022 6.772,1023 4.416,1024 6.215,1025 1.414,1026 7.521,1027 4.026,1028 4.205,1029 4.902,1031 7.711,1032 3.965,1033 7.529,1034 1.24,1035 9.2,1036 3.494,1037 6.172,1038 7.234,1039 1.517,1040 10.815,1041 5.925,1042 8.879,1043 1,1044 10.935,1045 3.212,1046 6.635,1047 7.908,1049 12.566,1050 6.288,1051 10.262,1052 0.934,1053 12.707,1054 2.429,1055 8.079,1056 9.719,1057 1.732,1058 15.186,1059 7.721,1060 11.666,1061 0.666,1062 14.503,1063 2.136,1064 8.901,1065 10.762,1067 17.27,1068 8.451,1069 13.086,1070 0.219,1071 16.317,1072 1.634,1073 10.146,1074 12.359,1075 1.968,1076 19.721,1077 9.669,1078 3.167,1079 0.188,1080 18.144,1081 0.504,1082 11.131,1083 13.581,1085 21.955,1086 10.571,1087 3.027,1088 10.939,1089 19.981,1090 0.427,1091 12.298,1092 15.081,1093 2.214,1094 24.345,1095 11.697,1096 2.822,1097 9.687,1098 21.827,1099 4.165,1100 13.358,1101 16.392,1103 26.648,1104 12.681,1105 2.518,1106 8.943,1107 23.679,1108 4.065,1109 14.496,1110 17.846,1111 2.468,1112 29.02,1113 13.767,1114 2.29,1115 8.103,1116 25.537,1117 3.69,1118 15.591,1119 19.203,1121 31.358,1122 14.791,1123 1.948,1124 6.876,1125 27.4,1126 3.005,1127 16.72,1128 20.635,1129 2.727,1130 33.727,1131 15.862,1132 1.869,1133 5.281,1134 29.267,1135 2.894,1136 17.833,1137 22.017,1139 36.084,1140 16.905,1141 11474,1142 20405,1143 21.789,1144 35.75,1145 50.135,1146 51.399,1147 51.655,1148 49.79,1149 49.642,1150 62.656,1151 3.102,1152 145.223,1153 45.89,1154 5.492,1155 5.623,1156 6.582,1157 5.171,1158 5.167,1159 7.165,1160 2.302,1161 18.081,1162 4.952,1163 15.841,1164 1.519,1165 1.558,1166 1.565,1167 1.509,1168 1.504,1169 1.899,1170 0.094,1171 4.401,1172 1.391,1173 4.05,1174 4.098,1175 4.126,1176 3.928,1177 8.201,1178 3.938,1179 3.938,1180 3.957,1181 3.987,1182 3.861,1183 5.192,1184 3.864,1185 3.827,1186 3.875,1187 3.763,1188 3.681,1189 4.961,1190 3.689,1191 3.634,1192 3.702,1193 3.592,1194 3.445,1195 4.932,1196 3.463,1197 3.395,1198 3.458,1199 3.538,1200 3.223,1201 4.616,1202 3.218,1203 3.111,1204 3.206,1205 3.258,1206 2.941,1207 4.59,1208 2.91,1209 3.057,1210 3.157,1211 3.11,1212 2.847,1213 4.375,1214 2.83,1215 2.939,1216 3.019,1217 2.927,1218 2.811,1219 4.324,1220 2.829,1221 0.136,1222 0.11,1223 0.205,1224 0.124,1225 0.096,1226 4.492,1227 0.126,1228 3.623,1229 0.035,1230 6.78,1231 0.331,1232 4.095,1233 0.089,1234 3.167,1235 4.165,1236 1.151,1237 10.939,1238 2.952,1239 1.91,1240 1.897,1241 2.039,1242 2.04,1243 1.392,1244 2.043,1245 1.856,1246 1.825,1247 1.967,1248 2.012,1249 1.171,1250 2.004,1251 1.815,1252 1.758,1253 1.903,1254 1.934,1255 1.02,1256 1.932,1257 1.424,1258 1.38,1259 1.675,1260 1.62,1261 0.825,1262 1.637,1263 1.333,1264 1.272,1265 1.513,1266 1.594,1267 0.787,1268 1.566,1269 1.236,1270 1.142,1271 1.505,1272 1.503,1273 0.639,1274 1.494,1275 1.153,1276 1.064,1277 1.416,1278 1.376,1279 0.494,1280 1.429,1281 0.85,1282 0.811,1283 1.17,1284 1.191,1285 0.185,1286 1.198,1287 4.205,1289 5.541,1290 2.398,1291 7.071,1292 4.595,1293 8.686,1294 6.605,1295 10.345,1297 1.73,1298 12.314,1299 13.882,1301 6.018,1303 4.068,1305 3.356,1306 5.975,1308 -0.243,1314 34.128,1315 92.467,1316 211.298,1317 260.913,1318 269.668,1319 269.668,1320 269.668,1321 62.812,1322 7.717,1323 77.99,1324 77.99,1325 23,1326 12.651,1327 4.17,1328 3.248,1329 47.079,1330 126,1331 128,1332 0.181,1333 215.049,1334 368.88,1335 516.478,1336 25301,1337 5.8,1338 21.25,1339 0.708,1340 0.597,1341 21.38,1342 17.92,1343 14.436,1344 0.437,1345 0.318,1346 9.662,1347 13.292,1348 9.412,1349 7.725,1350 14.602,1351 10.501,1352 13.223,1353 0.281,1354 0.172,1355 13.459,1356 8.1,1357 11.471,1358 0.182,1359 0.095,1360 11.538,1361 6.003,1362 9.315,1363 0.116,1364 0.054,1365 10.096,1366 4.308,1367 7.149,1368 0.074,1369 0.027,1370 7.001,1371 2.566,1372 0.285,1373 96.919,1374 0.214,1375 28.367,1376 0.491,1377 160,1378 520.834,1379 207.403,1380 537.371,1381 710.32,1382 500,1383 190,1384 479.673,1385 233.7,1386 495.485,1387 729.49,1388 467,1389 6.004}
{0 CHEMBL605003,1 1.672,2 9.462,3 3.141,4 9.865,5 102.244,6 7.904,7 0.379,8 3.962,9 4.066,10 3.738,11 3.558,12 4.984,13 3.51,14 4.539,15 4.7,16 4.088,17 3.995,18 5.764,19 3.93,20 4.769,21 4.94,22 4.086,23 4.132,24 5.928,25 4.034,26 4.907,27 5.13,28 3.923,29 4.049,30 6.058,31 3.949,32 4.628,33 4.83,34 3.89,35 3.895,36 5.772,37 3.802,38 4.602,39 4.813,40 3.867,41 3.832,42 5.75,43 3.753,44 4.514,45 4.706,46 3.805,47 3.772,48 5.847,49 3.699,50 4.505,51 4.686,52 3.682,53 3.745,54 5.706,55 3.64,56 0.093,57 0.727,58 12.112,59 4.686,60 15.481,61 5.599,62 0.383,63 1.195,64 20.171,65 8.127,66 48.823,67 10.206,68 0.215,69 1.446,70 31.994,71 11.751,72 40.037,73 13.697,74 0.6,75 1.464,76 33.712,77 11.205,78 102.314,79 13.925,80 0.308,81 1.192,82 23.736,83 8.88,84 45.117,85 11.424,86 0.379,87 1.151,88 25.434,89 8.709,90 50.631,91 11.008,92 0.473,93 1.045,94 20.952,95 7.523,96 91.111,97 9.818,98 0.367,99 1.075,100 21.399,101 7.496,102 46.762,103 9.104,104 28,105 44,106 0.284,107 0.643,108 0.778,109 0.829,110 0.843,111 0.843,112 3.305,113 1.046,114 -2.89,115 -2.9,116 -2.8,119 40.4,121 4,124 2,135 1,136 1,142 4,143 2,144 2,152 2,158 1,172 9,174 3,175 1,178 1,180 7,183 10,188 8,193 6,196 10,200 8,205 2,208 7,213 5,216 1,217 1,218 2,221 7,225 4,228 3,230 2,233 6,237 3,238 2,243 3,246 6,250 5,253 3,255 2,258 5,264 3,272 4,276 978,277 17.082,278 17.082,279 17.082,280 17.082,281 17.082,282 15.287,283 19.236,284 9.617,285 17.352,286 14.285,287 14.285,288 14.285,289 14.285,290 14.285,291 11.179,292 18.184,293 4.538,294 14.738,295 3.882,296 1.764,297 0.968,298 0.67,299 0.585,300 0.585,301 3.995,304 1,305 1,306 1,307 534,308 3.742,311 104.545,312 133.478,315 199.262,319 1.538,320 35.045,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 56.5,332 246,333 4.927,334 4.722,335 7.62,336 4.421,337 3.496,338 4.764,339 1.058,340 13.305,341 3.236,342 4.522,343 3.652,344 6.731,345 4.159,346 3.171,347 4.133,348 0.4,349 10.969,350 3.1,351 4.318,352 3.159,353 6.242,354 3.942,355 2.963,356 3.953,358 9.468,359 2.9,360 3.696,361 2.753,362 5.56,363 3.263,364 2.268,365 3.094,367 7.055,368 2.254,369 3.363,370 2.288,371 5.277,372 3.025,373 2.035,374 2.575,376 6.011,377 2.007,378 3.113,379 2.242,380 5.068,381 2.744,382 1.784,383 2.3,385 5.469,386 1.704,387 2.991,388 1.871,389 4.734,390 2.605,391 1.616,392 2.108,394 4.71,395 1.589,396 2.77,397 1.818,398 4.414,399 2.513,400 1.532,401 1.836,403 4.312,404 1.501,405 2.504,406 1.383,407 3.861,408 2.364,409 1.368,410 1.476,412 2.974,413 1.362,414 2.464,415 1.346,416 3.652,417 2.086,418 1.135,419 1.396,421 2.735,422 1.074,423 2.346,424 0.937,425 3.567,426 1.793,427 0.799,428 1.176,430 2.151,431 0.791,432 1.574,433 0.655,434 3,435 1.321,436 0.347,437 0.417,439 0.86,440 0.338,441 1.426,442 0.381,443 2.947,444 0.992,445 0.003,446 0.004,448 0.008,449 0.003,450 1,451 0.079,452 2.741,453 0.477,454 -0.54,455 -0.664,457 -1.478,458 -0.539,459 0.834,460 -0.221,461 2.386,462 0.188,463 -0.805,464 -0.993,466 -2,467 -0.792,468 12.533,469 0.482,470 0.9,471 0.035,472 33.25,473 1.279,474 16.5,475 0.635,476 16.75,477 0.644,478 21.763,479 0.837,480 28.267,481 0.601,482 25.766,483 0.991,484 6.114,485 0.235,486 6.244,487 0.24,488 0.16,489 0.066,490 0.351,496 0.544,497 1.331,498 0.816,499 1.201,500 0.594,501 0.944,502 0.551,503 0.954,504 0.733,505 0.812,506 0.483,507 0.82,508 0.878,509 1.285,510 1.368,511 1.432,512 0.746,513 1.158,514 1.505,515 0.859,516 0.979,517 0.793,518 1.527,519 0.919,520 0.877,521 1.067,522 0.807,523 0.981,524 0.947,525 1.01,526 0.855,527 1.008,528 0.864,529 0.994,530 0.945,531 0.912,532 0.815,533 1.035,534 0.749,535 0.89,536 0.848,537 0.942,538 1.176,539 1.165,540 1.278,541 1.234,542 1.106,543 1.3,544 7,545 0.157,546 4,547 2.618,548 1.311,549 1.067,550 0.86,551 0.5,552 0.244,553 0.205,554 7639,555 20208,556 2.069,557 44.7,558 6,559 11,562 2,563 2,567 1.693,568 1.891,569 3.248,570 0.289,571 1,572 1,577 78.607,578 1.672,579 3.79,580 4.586,581 4.884,582 4.969,583 4.969,584 2.701,585 4.056,586 4.674,587 3.405,588 1106.73,589 8.109,590 13453.5,592 1,594 1,595 261.066,596 1.693,597 4.603,598 0.241,599 0.011,600 0.091,601 0.06,602 0.036,603 0.031,604 0.025,605 0.016,606 0.009,607 0.011,608 0.532,609 0.5,610 1,611 1,612 125.595,613 0.071,614 -0.121,615 0.214,616 -0.052,617 -0.106,618 0.044,619 0.254,620 0.157,621 0.167,622 0.178,623 0.214,624 0.139,625 -0.056,626 -0.215,627 -0.199,628 -0.261,629 0.071,630 -0.143,631 -0.26,632 0.072,633 -0.082,634 0.097,635 -0.193,636 0.024,637 0.04,638 -0.085,639 0.074,640 -0.042,641 -0.029,642 -0.036,643 0.12,644 -0.012,645 0.101,646 -0.026,647 0.007,648 0.06,649 0.244,650 -0.058,651 0.096,652 0.014,653 0.249,654 0.01,655 -0.081,656 -0.092,657 -0.315,658 -0.275,659 -0.062,660 -0.38,661 4.472,662 5.42,663 0.692,664 20.97,665 1.007,666 1.123,667 1.658,668 2.749,669 0.678,670 3.401,671 3.807,672 4.111,673 4.357,674 4.575,675 4.71,676 4.934,677 5.088,678 5.05,679 5.142,680 5.851,681 0.641,682 371.5,683 3.401,684 4.99,685 5.872,686 6.783,687 7.685,688 8.597,689 9.505,690 10.419,691 11.329,692 12.244,693 6.4,696 1,700 1,701 1,709 4,711 1,714 6,716 11,735 47,737 15,738 1,739 29,741 50,742 19,743 10,744 3,745 3,746 3,748 4,749 6,757 4,760 4,762 13,763 6,767 4,770 1,772 3,774 1,776 2,779 1,780 1,783 21,784 5,785 2,786 7,787 1,792 3,797 0.5,798 3,811 1,815 2,816 2,819 2,829 1,834 1,835 1,843 2,845 1,847 2,851 26,855 1,858 4,860 1,864 1,874 6.4,877 3,881 13.75,882 9.033,883 5.444,884 2.85,886 2.919,887 1.379,888 1.03,889 4.204,890 10.621,891 3.676,892 4.341,893 4.914,894 5.44,895 5.947,896 6.358,897 6.822,898 7.214,899 7.439,900 7.802,901 1,902 44,903 9.904,905 4.614,906 7.894,907 18.563,909 16.136,911 2.394,912 62.25,915 1,916 223.651,917 104.202,918 36.315,920 69.458,922 5.807,923 98.394,924 293.109,925 36.315,926 16.793,927 28.149,928 53.189,929 74.163,930 32.168,931 5.513,932 223.651,934 223.651,935 134.709,936 69.458,937 5.807,939 223.651,940 69.458,943 46.453,944 78.78,945 15.284,947 223.651,948 105.773,949 104.202,951 5.807,952 223.651,953 34.22,954 65.693,955 34.796,956 69.458,957 223.651,958 105.773,959 104.202,961 0.609,962 0.365,963 0.179,964 0.094,965 24,966 11,967 0.06,968 3,969 2,970 1.222,971 3.684,972 231.271,973 0.222,974 18,975 118.211,980 1,981 17.379,982 6.289,983 3.009,985 88.987,986 6.819,988 3.392,991 4.863,993 34.796,994 433.626,995 38.5,998 -3.555,1000 37.232,1002 1.811,1004 0.265,1007 47.316,1008 52.78,1009 0.301,1010 0.682,1011 0.826,1012 0.879,1013 0.895,1014 0.895,1015 4.968,1016 1.532,1017 5.927,1018 4.71,1019 4.489,1020 5.027,1021 1.27,1022 6.838,1023 4.426,1024 6.235,1025 1.368,1026 7.566,1027 4.312,1028 4.369,1029 5.215,1031 8.12,1032 4.239,1033 7.613,1034 1.135,1035 9.318,1036 2.974,1037 6.232,1038 7.375,1039 1.27,1040 11.195,1041 6.084,1042 9.034,1043 0.799,1044 11.139,1045 2.735,1046 6.919,1047 8.37,1049 13.306,1050 6.684,1051 10.493,1052 0.347,1053 13.005,1054 2.151,1055 8.337,1056 10.093,1057 1.34,1058 15.989,1059 8.076,1060 11.978,1061 0.003,1062 14.905,1063 0.86,1064 9.347,1065 11.404,1067 18.393,1068 9,1069 13.482,1070 -0.54,1071 16.829,1072 0.008,1073 10.622,1074 12.989,1075 1.423,1076 20.979,1077 10.233,1078 3.496,1079 -0.805,1080 18.772,1081 -1.478,1082 11.759,1083 14.427,1085 23.487,1086 11.289,1087 3.171,1088 13.305,1089 20.73,1090 -2,1091 12.99,1092 15.971,1093 1.51,1094 26.054,1095 12.465,1096 2.963,1097 10.969,1098 22.7,1099 4.764,1100 14.177,1101 17.463,1103 28.601,1104 13.575,1105 2.268,1106 9.468,1107 24.68,1108 4.133,1109 15.398,1110 18.998,1111 1.599,1112 31.17,1113 14.732,1114 2.035,1115 7.055,1116 26.668,1117 3.953,1118 16.607,1119 20.515,1121 33.734,1122 15.864,1123 1.784,1124 6.011,1125 28.662,1126 3.094,1127 17.829,1128 22.051,1129 1.69,1130 36.308,1131 17.016,1132 1.616,1133 5.469,1134 30.661,1135 2.575,1136 19.048,1137 23.583,1139 38.882,1140 18.159,1141 7315,1142 12080,1143 18.898,1144 31.881,1145 45.51,1146 46.963,1147 46.695,1148 45.083,1149 45.033,1150 58.463,1151 2.917,1152 140.055,1153 43.717,1154 5.869,1155 6.722,1156 7.302,1157 5.478,1158 5.496,1159 7.764,1160 2.117,1161 21.022,1162 5.236,1163 14.287,1164 1.569,1165 1.619,1166 1.61,1167 1.555,1168 1.553,1169 2.016,1170 0.101,1171 4.829,1172 1.507,1173 4.136,1174 4.146,1175 4.74,1176 4.101,1177 7.715,1178 4.05,1179 4.022,1180 4.04,1181 4.021,1182 3.937,1183 7.429,1184 3.919,1185 3.814,1186 3.818,1187 3.856,1188 3.717,1189 6.999,1190 3.668,1191 3.512,1192 3.576,1193 3.394,1194 3.388,1195 4.847,1196 3.373,1197 3.353,1198 3.41,1199 3.243,1200 3.171,1201 4.688,1202 3.177,1203 3.153,1204 3.174,1205 3.073,1206 2.974,1207 4.181,1208 2.939,1209 3.08,1210 3.168,1211 2.868,1212 2.912,1213 4.096,1214 2.889,1215 2.918,1216 3.009,1217 2.828,1218 2.701,1219 3.904,1220 2.713,1221 0.17,1222 0.163,1223 0.263,1224 0.152,1225 0.121,1226 4.927,1227 0.164,1228 4.722,1229 0.036,1230 7.62,1231 0.459,1232 4.421,1233 0.112,1234 3.496,1235 4.764,1236 1.058,1237 13.305,1238 3.236,1239 1.968,1240 1.978,1241 2.044,1242 2.029,1243 1.39,1244 2.067,1245 1.851,1246 1.807,1247 1.971,1248 1.983,1249 1.218,1250 2.005,1251 1.679,1252 1.664,1253 1.763,1254 1.824,1255 0.932,1256 1.83,1257 1.553,1258 1.522,1259 1.735,1260 1.763,1261 0.844,1262 1.762,1263 1.284,1264 1.244,1265 1.471,1266 1.535,1267 0.704,1268 1.503,1269 1.146,1270 1.096,1271 1.417,1272 1.341,1273 0.604,1274 1.381,1275 1.136,1276 1.077,1277 1.377,1278 1.325,1279 0.469,1280 1.354,1281 0.984,1282 0.908,1283 1.292,1284 1.239,1285 0.415,1286 1.308,1287 4.078,1289 5.46,1290 3.045,1291 7.027,1292 5.476,1293 8.674,1294 7.618,1295 10.362,1297 2.984,1303 4.462,1305 2.808,1309 1.168,1314 30.137,1315 78.607,1316 178.153,1317 215.556,1318 229.556,1319 233.556,1320 233.556,1321 52.81,1322 7.702,1323 86.03,1324 94.41,1325 22,1326 12.757,1327 4,1328 3.392,1329 37.957,1330 90,1331 82,1332 0.207,1333 186.462,1334 325.42,1335 446.728,1336 22837,1338 18.474,1339 0.711,1340 0.6,1341 18.724,1342 15.612,1343 12.358,1344 0.426,1345 0.349,1346 8.684,1347 11.107,1348 8.3,1349 6.886,1350 13.147,1351 10.108,1352 12.165,1353 0.276,1354 0.207,1355 13.568,1356 9.094,1357 10.488,1358 0.175,1359 0.113,1360 11.889,1361 6.799,1362 8.149,1363 0.106,1364 0.058,1365 8.832,1366 4.472,1367 6.585,1368 0.069,1369 0.033,1370 7.164,1371 3.123,1372 0.318,1373 85.152,1374 0.23,1375 24.721,1376 0.586,1377 146,1378 418.378,1379 198.266,1380 426.632,1381 581.89,1382 392,1383 177,1384 404.473,1385 233.824,1386 450.45,1387 661.36,1388 421,1389 6.959}
{0 CHEMBL607707,1 1.741,2 12.182,3 4.455,4 19.85,5 127.416,6 8.357,7 0.486,8 4.115,9 4.23,10 3.765,11 3.654,12 5.338,13 3.648,14 4.613,15 4.785,16 4.116,17 4.002,18 5.798,19 3.984,20 4.834,21 5.005,22 4.271,23 4.151,24 6.105,25 4.119,26 4.919,27 5.142,28 4.193,29 4.161,30 6.08,31 4.103,32 4.857,33 5.044,34 4.198,35 4.183,36 6.093,37 4.131,38 4.91,39 5.104,40 4.252,41 4.211,42 6.133,43 4.168,44 4.947,45 5.136,46 4.283,47 4.194,48 6.265,49 4.149,50 4.882,51 5.08,52 4.226,53 4.09,54 6.218,55 4.042,56 0.095,57 0.876,58 9.303,59 4.733,60 12.354,61 5.74,62 0.345,63 1.33,64 19.526,65 7.606,66 28.764,67 9.51,68 0.587,69 1.591,70 27.41,71 9.828,72 65.215,73 11.813,74 0.637,75 1.647,76 32.014,77 10.947,78 76.635,79 14.371,80 0.634,81 1.574,82 27.665,83 10.338,84 66.36,85 13.351,86 0.483,87 1.668,88 27.734,89 10.532,90 58.974,91 13.507,92 0.7,93 1.663,94 30.368,95 10.426,96 101.477,97 12.75,98 0.67,99 1.574,100 32.228,101 10.268,102 93.011,103 12.735,104 67,105 48,106 0.284,107 0.671,108 0.83,109 0.87,110 0.87,111 0.87,112 3.532,113 0.903,114 -3.5,115 -3.48,116 -3.32,119 42.9,120 1,124 2,125 2,135 2,142 5,143 2,144 6,145 1,146 1,158 2,172 3,175 8,178 1,180 6,183 4,188 4,191 1,193 5,196 4,199 2,200 3,203 2,205 2,208 8,212 2,213 4,216 2,217 1,218 2,221 8,225 8,228 1,233 8,237 1,238 6,241 2,243 3,246 4,249 2,250 7,255 3,258 4,263 1,264 4,269 1,272 2,276 2119,277 21.963,278 21.963,279 21.963,280 21.963,281 21.963,282 19.446,283 30.281,284 13.049,285 22.598,286 17.174,287 17.174,288 17.174,289 17.174,290 17.174,291 13.194,292 40.331,293 6.062,294 18.194,295 4.066,296 1.687,297 0.712,298 0.469,299 0.469,300 0.469,301 4.212,302 1,305 1,306 1,307 829,308 4.301,312 289.302,316 157.841,319 1.785,320 41.916,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 72.333,332 402,333 4.64,334 4.073,335 6.741,336 4.181,337 3.204,338 4.576,339 2.035,340 11.049,341 3.129,342 4.225,343 3.496,344 6.166,345 3.794,346 2.852,347 3.874,348 1.058,349 9.164,350 2.698,351 4.133,352 3.314,353 5.948,354 3.697,355 2.758,356 3.661,357 0.916,358 8.312,359 2.554,360 3.79,361 3.222,362 5.636,363 3.362,364 2.373,365 3.133,366 0.86,367 7.336,368 2.344,369 3.629,370 2.951,371 5.197,372 3.169,373 2.232,374 2.896,375 0.4,376 6.356,377 2.102,378 3.531,379 2.644,380 5.063,381 3.088,382 2.152,383 2.817,384 0.172,385 6.092,386 1.986,387 3.302,388 2.462,389 4.805,390 3.062,391 2.103,392 2.6,394 5.264,395 1.979,396 3.216,397 2.23,398 4.641,399 2.775,400 1.811,401 2.238,403 5.09,404 1.738,405 3.003,406 2.115,407 4.27,408 2.358,409 1.439,410 1.949,412 3.788,413 1.312,414 2.82,415 2.053,416 4.041,417 2.318,418 1.414,419 1.764,421 3.521,422 1.217,423 2.711,424 1.721,425 3.566,426 2.003,427 1.024,428 1.356,430 2.181,431 0.996,432 2.525,433 1.509,434 3.196,435 1.911,436 0.965,437 1.257,439 1.909,440 0.904,441 2.158,442 1.241,443 3.179,444 1.681,445 0.745,446 1.114,448 1.534,449 0.695,450 1.713,451 0.89,452 2.861,453 1.281,454 0.354,455 0.451,457 0.714,458 0.32,459 1.45,460 0.665,461 2.767,462 1.046,463 0.153,464 0.184,466 0.348,467 0.127,468 15.667,469 0.475,470 0.856,471 0.026,472 44.75,473 1.356,474 23.5,475 0.712,476 21.25,477 0.644,478 27.481,479 0.833,480 35.333,481 0.631,482 38.803,483 1.176,484 9.092,485 0.276,486 6.724,487 0.204,488 0.206,490 0.345,494 1,496 0.707,497 1.222,498 0.629,499 1.027,500 0.541,501 0.918,502 0.892,503 1.007,504 0.686,505 0.817,506 0.547,507 0.778,508 1.062,509 1.168,510 0.918,511 1.046,512 0.849,513 0.996,514 0.816,515 0.834,516 0.77,517 0.847,518 0.789,519 0.843,520 0.668,521 0.758,522 0.846,523 0.943,524 0.803,525 0.952,526 0.873,527 0.988,528 0.739,529 0.938,530 0.873,531 0.925,532 1.191,533 0.946,534 0.965,535 0.905,536 1.352,537 0.966,538 1.144,539 1.097,540 1.061,541 1.052,542 1.132,543 0.999,544 7.5,545 0.272,546 3.778,547 2.063,548 2.342,549 1.236,550 1.011,551 0.785,552 0.587,553 0.318,554 13567,555 45041,556 1.976,557 41.1,559 17,561 1,562 2,564 3,567 1.759,568 1.817,569 3.544,570 0.222,572 1,577 97.521,578 1.741,579 4.12,580 5.095,581 5.338,582 5.338,583 5.338,584 3.052,585 4.923,586 5.008,587 3.722,588 1965.4,589 8.815,590 29265.6,595 325.212,596 1.52,597 4.954,598 0.214,599 0.009,600 0.079,601 0.04,602 0.047,603 0.024,604 0.019,605 0.015,606 0.013,607 0.008,608 0.467,609 0.33,610 0.88,611 1.798,612 174.212,613 -0.056,614 -0.156,615 0.017,616 -0.064,617 -0.033,618 -0.012,619 -0.058,620 -0.003,621 0.097,622 0.129,623 0.047,624 0.15,625 -0.044,626 -0.138,627 -0.014,628 -0.075,629 0.005,630 -0.062,631 0.033,632 0.093,633 0.11,634 0.112,636 0.141,637 0.123,638 0.131,639 -0.014,640 0.018,641 0.005,642 0.009,643 -0.056,644 -0.062,645 0.042,646 0.008,647 -0.04,648 0.03,649 -0.142,650 -0.031,651 -0.055,652 0.029,653 -0.15,654 -0.045,655 -0.031,656 -0.134,657 0.007,658 -0.071,659 0.017,660 -0.041,661 2.212,662 5.576,663 0.485,664 38.123,665 1.015,666 1.131,667 2.274,668 5.171,669 0.685,670 3.584,671 3.892,672 4.127,673 4.382,674 4.673,675 4.812,676 4.963,677 5.136,678 5.242,679 5.231,680 7.18,681 0.661,682 467.97,683 3.584,684 5.118,685 5.953,686 6.828,687 7.692,688 8.577,689 9.456,690 10.348,691 11.236,692 12.132,693 8.9,696 1,700 1,701 1,702 1,703 1,708 2,709 6,710 1,714 7,716 17,718 1,728 1,733 1,734 2,735 56,737 20,738 2,739 35,741 58,742 24,743 15,744 7,745 5,746 3,748 3,749 4,750 1,754 1,761 1,762 18,763 5,767 2,772 1,774 2,776 1,780 1,781 1,783 23,784 8,785 2,786 9,787 1,792 5,797 0.667,798 2,809 1,816 3,820 1,829 1,834 2,839 1,843 2,847 3,848 1,849 1,851 33,858 2,860 2,861 1,864 1,866 1,870 1,872 1,873 2,874 3.6,877 1,879 1,881 18.167,882 11.136,883 7.472,884 3.252,886 3.688,887 1.477,888 0.963,889 8.24,890 11.426,891 3.882,892 4.466,893 5.058,894 5.659,895 6.292,896 6.701,897 7.153,898 7.631,899 8.061,900 8.264,901 1,902 52,903 12.176,905 5.094,906 8.008,907 22.506,909 17.572,911 2.508,912 82.778,916 247.193,917 163.042,918 86.991,919 39.149,920 36.145,921 14.96,923 163.042,924 322.487,925 101.951,926 25.618,927 24.709,928 66.334,929 75.008,930 106.28,931 14.96,932 235.422,933 39.149,934 247.193,935 250.032,936 51.105,937 39.149,939 226.84,940 71.458,943 96.92,944 117.374,945 74.887,947 262.153,948 123.136,949 202.19,952 247.193,953 45.441,954 104.123,955 52.623,956 138.098,957 247.193,958 138.096,959 202.19,961 0.572,962 0.324,963 0.171,964 0.101,965 20,966 11,967 0.138,968 8,969 1,970 1.125,971 4.201,972 298.779,973 0.125,974 16,975 162.465,981 24.473,982 11.111,983 6.206,984 1.125,985 138.096,986 9.007,987 4.357,991 1.51,993 36.022,994 587.479,995 47.5,1000 12.449,1002 3.195,1004 -0.318,1007 56.836,1008 63.346,1009 0.3,1010 0.71,1011 0.877,1012 0.919,1013 0.919,1014 0.919,1015 5.119,1016 1.811,1017 5.943,1018 5.264,1019 4.575,1020 5.153,1021 2.696,1022 6.744,1023 4.47,1024 6.345,1025 1.439,1026 7.499,1027 5.09,1028 4.205,1029 5.037,1030 0.325,1031 7.636,1032 4.04,1033 7.658,1034 1.414,1035 9.154,1036 3.788,1037 6.159,1038 7.392,1039 3.686,1040 10.725,1041 5.976,1042 9.005,1043 1.024,1044 10.865,1045 3.521,1046 6.567,1047 8.09,1048 0.393,1049 12.433,1050 6.33,1051 10.382,1052 0.965,1053 12.613,1054 2.181,1055 8.017,1056 9.942,1057 4.992,1058 15.062,1059 7.766,1060 11.781,1061 0.745,1062 14.387,1063 1.909,1064 8.794,1065 11.038,1066 0.384,1067 17.137,1068 8.499,1069 13.199,1070 0.354,1071 16.18,1072 1.534,1073 10.044,1074 12.683,1075 6.385,1076 19.603,1077 9.734,1078 3.204,1079 0.153,1080 17.989,1081 0.714,1082 11.005,1083 13.983,1084 0.351,1085 21.848,1086 10.661,1087 2.852,1088 11.049,1089 19.81,1090 0.348,1091 12.176,1092 15.541,1093 7.799,1094 24.258,1095 11.815,1096 2.758,1097 9.164,1098 21.642,1099 4.576,1100 13.228,1101 16.946,1102 0.312,1103 26.582,1104 12.842,1105 2.373,1106 8.312,1107 23.483,1108 3.874,1109 14.371,1110 18.469,1111 9.218,1112 28.976,1113 13.968,1114 2.232,1115 7.336,1116 25.331,1117 3.661,1118 15.468,1119 19.926,1120 0.273,1121 31.337,1122 15.044,1123 2.152,1124 6.356,1125 27.186,1126 3.133,1127 16.606,1128 21.438,1129 10.638,1130 33.728,1131 16.164,1132 2.103,1133 6.092,1134 29.047,1135 2.896,1136 17.726,1137 22.923,1138 0.236,1139 36.107,1140 17.266,1141 13649,1142 25112,1143 22.482,1144 38.347,1145 52.977,1146 56.136,1147 53.867,1148 51.253,1149 51.16,1150 67.74,1151 10.884,1152 145.316,1153 48.201,1154 5.46,1155 6.073,1156 6.503,1157 5.222,1158 5.204,1159 7.576,1160 4.069,1161 18.277,1162 5.129,1163 20.822,1164 1.514,1165 1.604,1166 1.539,1167 1.464,1168 1.462,1169 1.935,1170 0.311,1171 4.152,1172 1.377,1173 4.104,1174 4.129,1175 4.093,1176 4.023,1177 8.201,1178 4.034,1179 3.89,1180 3.912,1181 3.987,1182 3.821,1183 7.43,1184 3.821,1185 3.754,1186 3.812,1187 3.676,1188 3.595,1189 6.82,1190 3.605,1191 3.609,1192 3.655,1193 3.546,1194 3.461,1195 5.001,1196 3.475,1197 3.479,1198 3.546,1199 3.349,1200 3.25,1201 4.857,1202 3.25,1203 3.388,1204 3.448,1205 3.326,1206 3.205,1207 4.608,1208 3.209,1209 3.12,1210 3.191,1211 3.244,1212 2.927,1213 4.421,1214 2.944,1215 3.088,1216 3.155,1217 3.019,1218 2.884,1219 4.368,1220 2.909,1221 0.133,1222 0.116,1223 0.193,1224 0.119,1225 0.092,1226 4.64,1227 0.131,1228 4.073,1229 0.058,1230 6.741,1231 0.316,1232 4.181,1233 0.089,1234 3.204,1235 4.576,1236 2.035,1237 11.049,1238 3.129,1239 2.044,1240 2.024,1241 2.09,1242 2.14,1243 1.241,1244 2.127,1245 1.856,1246 1.836,1247 1.928,1248 1.952,1249 1.048,1250 1.951,1251 1.702,1252 1.652,1253 1.903,1254 1.903,1255 1.035,1256 1.908,1257 1.553,1258 1.515,1259 1.799,1260 1.76,1261 0.936,1262 1.765,1263 1.438,1264 1.363,1265 1.673,1266 1.69,1267 0.708,1268 1.689,1269 1.371,1270 1.305,1271 1.557,1272 1.543,1273 0.633,1274 1.554,1275 1.052,1276 0.99,1277 1.417,1278 1.3,1279 0.469,1280 1.308,1281 0.993,1282 0.938,1283 1.258,1284 1.248,1285 0.311,1286 1.293,1287 4.263,1289 5.572,1291 7.074,1293 8.676,1295 10.338,1297 5.646,1298 5.905,1299 13.576,1303 1.007,1305 5.955,1306 5.701,1309 1.931,1312 9.626,1313 2.106,1314 37.015,1315 97.521,1316 230.742,1317 285.338,1318 298.947,1319 298.947,1320 298.947,1321 85.645,1322 7.738,1323 90.28,1324 90.28,1325 18,1326 12.659,1327 4.392,1328 3.755,1329 63.824,1330 137,1331 165,1332 0.223,1333 235.173,1334 416.16,1335 565.581,1336 23568,1337 3.6,1338 23.957,1339 0.726,1340 0.582,1341 23.587,1342 19.203,1343 15.816,1344 0.452,1345 0.301,1346 10.019,1347 14.844,1348 9.668,1349 8.091,1350 15.694,1351 10.538,1352 14.149,1353 0.295,1354 0.162,1355 14.061,1356 7.772,1357 11.196,1358 0.184,1359 0.08,1360 10.796,1361 4.866,1362 8.993,1363 0.114,1364 0.041,1365 9.163,1366 3.256,1367 7.536,1368 0.071,1369 0.021,1370 7.446,1371 2.187,1372 0.347,1373 102.829,1374 0.211,1375 30.485,1376 0.624,1377 166,1378 591.387,1379 199.045,1380 578.63,1381 759.47,1382 536,1383 192,1384 518.076,1385 222.203,1386 532.639,1387 771.75,1388 497,1389 5.62}
{0 CHEMBL608154,1 1.716,2 8.731,3 2.737,4 7.493,5 98.273,6 8.947,7 0.724,8 3.849,9 3.95,10 3.571,11 3.435,12 5.058,13 3.438,14 4.334,15 4.472,16 3.963,17 3.819,18 5.516,19 3.813,20 4.508,21 4.644,22 4.123,23 3.947,24 5.74,25 3.933,26 4.608,27 4.76,28 4.124,29 3.954,30 5.859,31 3.923,32 4.66,33 4.842,34 4.045,35 3.912,36 5.908,37 3.857,38 4.542,39 4.731,40 4.015,41 3.825,42 5.792,43 3.79,44 4.455,45 4.606,46 3.916,47 3.776,48 5.711,49 3.739,50 4.424,51 4.589,52 3.766,53 3.745,54 5.642,55 3.67,56 0.082,57 0.605,58 5.726,59 3.248,60 6.403,61 3.636,62 0.262,63 0.945,64 12.328,65 5.532,66 21.856,67 6.314,68 0.387,69 1.117,70 16.022,71 6.569,72 29.763,73 7.388,74 0.43,75 1.191,76 17.437,77 7.243,78 35.698,79 8.18,80 0.648,81 1.141,82 26.997,83 8.34,84 64.551,85 9.432,86 0.457,87 1.034,88 23.227,89 7.658,90 51.68,91 8.973,92 0.497,93 0.939,94 18.891,95 6.735,96 47.237,97 7.318,98 0.411,99 0.94,100 16.736,101 6.487,102 39.202,103 7.245,104 18,105 42,106 0.296,107 0.689,108 0.814,109 0.876,110 0.885,111 0.885,112 3.306,113 0.861,114 -2.77,115 -2.78,116 -2.7,119 46.3,120 1,124 1,142 4,143 3,144 3,145 3,146 1,152 2,158 1,172 5,175 5,178 1,180 3,183 5,188 5,191 2,192 1,193 4,196 3,199 1,200 4,203 2,205 5,208 2,212 1,213 4,216 1,218 3,221 2,225 5,228 1,230 1,233 4,237 2,238 5,241 1,243 2,246 6,249 1,250 4,258 7,264 2,272 2,276 1004,277 17.715,278 17.715,279 17.715,280 17.715,281 17.715,282 15.084,283 12.855,284 10.253,285 18.205,286 14.237,287 14.237,288 14.237,289 14.237,290 14.237,291 10.213,292 14.608,293 4.739,294 14.966,295 3.642,296 1.364,297 0.641,298 0.281,299 0.232,300 0.232,301 4.001,302 1,304 1,305 1,306 1,307 496,308 3.082,311 38.409,312 183.441,315 156.923,319 1.157,320 27.105,322 1,323 1,324 1,325 1,326 0.4,328 1,329 1,330 0.77,331 56.333,332 227,333 4.798,334 3.634,335 6.976,336 4.308,337 3.339,338 4.884,339 1.058,340 11.883,341 3.235,342 4.331,343 3.431,344 6.444,345 3.955,346 2.963,347 3.967,348 0.86,349 9.902,350 2.937,351 4.214,352 3.037,353 6.347,354 3.758,355 2.809,356 3.879,358 9.501,359 2.655,360 3.599,361 2.655,362 5.638,363 3.132,364 2.216,365 3.025,367 7.095,368 1.999,369 3.486,370 2.477,371 5.282,372 3.004,373 2.035,374 2.905,376 6.318,377 1.953,378 3.332,379 2.149,380 4.885,381 2.856,382 1.883,383 2.601,385 5.244,386 1.808,387 2.972,388 1.757,389 4.503,390 2.451,391 1.505,392 2.189,394 4.148,395 1.408,396 2.861,397 1.514,398 3.884,399 2.403,400 1.414,401 2.015,403 3.084,404 1.398,405 2.754,406 1.511,407 3.643,408 2.224,409 1.305,410 1.867,412 2.929,413 1.188,414 2.557,415 1.31,416 3.597,417 2.046,418 1.099,419 1.532,421 2.72,422 1.029,423 2.101,424 1.224,425 3.481,426 1.66,427 0.791,428 0.965,430 1.722,431 0.659,432 1.94,433 0.796,434 3.415,435 1.539,436 0.598,437 0.809,439 1.496,440 0.552,441 1.216,442 0.609,443 2.722,444 0.844,445 -0.087,446 -0.104,448 -0.169,449 -0.08,450 1.092,451 0.176,452 2.569,453 0.706,454 -0.288,455 -0.37,457 -0.605,458 -0.226,459 0.965,460 0.042,461 2.438,462 0.502,463 -0.327,464 -0.414,466 -0.753,467 -0.284,468 12.481,469 0.48,470 0.661,471 0.025,472 38,473 1.462,474 20.5,475 0.788,476 17.5,477 0.673,478 19.23,479 0.74,480 26.519,481 0.647,482 28.173,483 1.084,484 7.675,485 0.295,486 4.922,487 0.189,488 0.164,490 0.401,496 0.784,497 1.223,498 0.569,499 0.891,500 0.607,501 0.793,502 0.943,503 1.061,504 0.624,505 0.745,506 0.679,507 0.708,508 0.882,509 1.069,510 0.86,511 0.995,512 0.926,513 0.929,514 1.053,515 1.214,516 0.914,517 1.101,518 1.086,519 1.088,520 1.345,521 0.932,522 1.338,523 1.024,524 1.589,525 1.006,526 1.143,527 0.887,528 0.994,529 0.913,530 1.24,531 0.816,532 1.381,533 0.915,534 1.157,535 1.009,536 1.423,537 1.004,538 1.232,539 1.114,540 1.181,541 1.147,542 1.097,543 1.231,544 4.5,545 0.035,546 3.556,547 2.576,548 1.675,549 1.198,550 0.733,551 0.476,552 0.334,553 0.085,554 7175,555 22170,556 2.101,557 36.6,559 7,561 3,562 2,563 3,567 1.698,568 1.95,569 3.101,570 0.289,571 1,572 1,577 70.346,578 1.716,579 3.994,580 4.717,581 5.077,582 5.126,583 5.126,584 2.459,585 4.47,586 4.674,587 3.241,588 1053.27,589 8.139,590 12656.3,591 1,592 1,594 1,595 219.66,596 1.46,597 4.624,598 0.155,599 0.004,600 0.085,601 0.056,602 0.039,603 0.032,604 0.019,605 0.014,606 0.012,607 0.006,608 0.421,609 0.5,610 1,611 0.777,612 123.913,613 -0.086,614 -0.122,615 0.015,616 -0.022,617 -0.077,618 0.021,619 -0.063,620 -0.006,621 0.092,622 0.161,623 -0.006,624 0.164,625 0.065,626 -0.006,627 -0.016,628 -0.085,629 -0.028,630 -0.068,632 -0.178,633 -0.05,634 -0.184,635 -0.003,636 -0.207,637 -0.072,638 0.022,639 -0.125,640 -0.02,641 -0.109,642 -0.04,643 -0.003,644 0.059,645 0.137,646 0.095,647 0.091,648 0.177,649 -0.073,650 0.04,651 -0.115,652 -0.029,653 -0.111,654 -0.082,655 -0.159,656 -0.143,657 -0.229,658 -0.182,659 -0.087,660 -0.296,661 1.95,662 5.797,663 0.731,664 19.509,665 1.017,666 1.118,667 1.536,668 2.358,669 0.716,670 3.401,671 3.761,672 4.111,673 4.431,674 4.682,675 4.828,676 5.011,677 5.159,678 5.13,679 5.176,680 5.391,681 0.695,682 366.83,683 3.401,684 4.963,685 5.849,686 6.758,687 7.664,688 8.582,689 9.497,690 10.419,691 11.339,692 12.264,693 9.8,700 1,701 1,703 2,708 4,709 7,710 2,711 1,714 5,716 21,723 1,733 1,734 1,735 41,737 22,738 1,739 29,741 44,742 19,743 16,744 5,745 1,746 1,748 4,749 7,750 1,754 1,762 17,763 2,767 1,772 1,776 1,779 1,780 1,783 15,784 5,785 2,786 7,787 1,792 4,797 0.5,798 2,809 2,811 1,815 1,816 3,819 2,843 2,847 2,848 1,851 26,860 1,861 1,873 1,874 4.9,877 1,879 1,881 13.333,882 8.21,883 5.722,884 2.286,886 4.267,887 1.558,888 1.03,889 4.267,890 11.911,891 3.726,892 4.428,893 5.134,894 5.827,895 6.454,896 6.898,897 7.417,898 7.907,899 8.148,900 8.49,901 0.833,902 46,903 9.568,905 4.133,906 7.818,907 17.935,909 14.685,911 2.318,912 60.278,915 1,916 153.024,917 116.337,918 68.367,919 39.149,920 36.145,923 116.337,924 228.318,925 68.367,926 19.708,927 18.011,928 37.905,929 98.734,930 77.517,931 4.288,932 117.711,933 39.149,934 153.024,935 184.705,936 36.145,937 39.149,939 153.024,940 36.145,943 73.52,944 77.613,945 72.72,947 153.024,948 104.512,949 155.486,952 153.024,953 31.582,954 84.756,955 34.796,956 108.865,957 153.024,958 104.512,959 155.486,961 0.585,962 0.365,963 0.209,964 0.111,965 22,966 10,967 0.068,968 3,969 2,970 1.211,971 3.644,972 234.873,973 0.211,974 19,975 122.211,981 16.824,982 6.595,983 2.828,984 3.419,985 87.727,986 12.252,987 8.297,988 3.288,991 2.424,993 34.796,994 413.023,995 40.5,1000 12.797,1004 -0.283,1007 41.687,1008 45.847,1009 0.32,1010 0.745,1011 0.88,1012 0.948,1013 0.957,1014 0.957,1015 4.965,1016 1.414,1017 5.855,1018 4.148,1019 4.443,1020 5.115,1021 1.552,1022 6.737,1023 4.353,1024 6.216,1025 1.305,1026 7.459,1027 3.084,1028 4.111,1029 5.085,1031 7.774,1032 3.994,1033 7.561,1034 1.099,1035 9.166,1036 2.929,1037 6.098,1038 7.48,1039 1.527,1040 10.93,1041 5.95,1042 8.947,1043 0.791,1044 10.933,1045 2.72,1046 6.608,1047 8.306,1049 12.797,1050 6.438,1051 10.368,1052 0.598,1053 12.738,1054 1.722,1055 8.074,1056 10.182,1057 1.53,1058 15.476,1059 7.877,1060 11.814,1061 -0.087,1062 14.569,1063 1.496,1064 8.96,1065 11.408,1067 17.676,1068 8.74,1069 13.28,1070 -0.288,1071 16.418,1072 -0.169,1073 10.233,1074 13.085,1075 1.557,1076 20.199,1077 9.988,1078 3.339,1079 -0.327,1080 18.28,1081 -0.605,1082 11.284,1083 14.5,1085 22.54,1086 11.014,1087 2.963,1088 11.883,1089 20.153,1090 -0.753,1091 12.488,1092 16.102,1093 1.603,1094 25.013,1095 12.192,1096 2.809,1097 9.902,1098 22.034,1099 4.884,1100 13.611,1101 17.604,1103 27.417,1104 13.287,1105 2.216,1106 9.501,1107 23.921,1108 3.967,1109 14.794,1110 19.184,1111 1.663,1112 29.876,1113 14.443,1114 2.035,1115 7.095,1116 25.814,1117 3.879,1118 15.949,1119 20.726,1121 32.311,1122 15.57,1123 1.883,1124 6.318,1125 27.712,1126 3.025,1127 17.13,1128 22.301,1129 1.734,1130 34.77,1131 16.721,1132 1.505,1133 5.244,1134 29.614,1135 2.905,1136 18.301,1137 23.863,1139 37.22,1140 17.863,1141 6867,1142 12194,1143 19.304,1144 29.358,1145 44.37,1146 45.785,1147 46.677,1148 43.997,1149 43.916,1150 61.276,1151 3.837,1152 132.083,1153 41.641,1154 5.642,1155 5.634,1156 6.661,1157 5.348,1158 5.339,1159 7.884,1160 2.117,1161 19.555,1162 5.235,1163 12.522,1164 1.53,1165 1.579,1166 1.61,1167 1.517,1168 1.514,1169 2.113,1170 0.132,1171 4.555,1172 1.436,1173 4.216,1174 4.243,1175 4.223,1176 4.132,1177 7.429,1178 4.143,1179 3.912,1180 3.947,1181 3.867,1182 3.806,1183 5.124,1184 3.816,1185 3.694,1186 3.721,1187 3.806,1188 3.584,1189 4.87,1190 3.593,1191 3.305,1192 3.349,1193 3.407,1194 3.09,1195 4.856,1196 3.114,1197 3.272,1198 3.328,1199 3.202,1200 3.036,1201 4.499,1202 3.053,1203 3.167,1204 3.255,1205 3.078,1206 2.995,1207 4.439,1208 2.984,1209 3.133,1210 3.204,1211 2.954,1212 2.905,1213 3.944,1214 2.913,1215 2.856,1216 2.91,1217 2.875,1218 2.713,1219 3.916,1220 2.704,1221 0.165,1222 0.125,1223 0.241,1224 0.149,1225 0.115,1226 4.798,1227 0.168,1228 3.634,1229 0.036,1230 6.976,1231 0.41,1232 4.308,1233 0.112,1234 3.339,1235 4.884,1236 1.058,1237 11.883,1238 3.235,1239 1.97,1240 1.958,1241 2.014,1242 2.053,1243 1.208,1244 2.042,1245 1.872,1246 1.84,1247 1.971,1248 2.004,1249 1.042,1250 1.994,1251 1.811,1252 1.775,1253 1.886,1254 1.959,1255 0.976,1256 1.947,1257 1.229,1258 1.171,1259 1.573,1260 1.54,1261 0.603,1262 1.547,1263 1.214,1264 1.154,1265 1.552,1266 1.452,1267 0.578,1268 1.47,1269 1.161,1270 1.1,1271 1.302,1272 1.418,1273 0.333,1274 1.406,1275 1.079,1276 1.011,1277 1.275,1278 1.31,1279 0.276,1280 1.314,1281 0.815,1282 0.768,1283 1.003,1284 0.997,1285 0.07,1286 1,1287 4.078,1289 5.425,1290 2.398,1291 6.984,1292 4.844,1293 8.641,1294 7.066,1295 10.349,1297 3.302,1298 6.408,1305 2.923,1306 5.449,1314 28.504,1315 70.346,1316 163.743,1317 193.395,1318 208.15,1319 210.15,1320 210.15,1321 41.403,1322 7.644,1323 79.9,1324 79.9,1325 23,1326 12.77,1327 4.524,1328 3.644,1329 37.718,1330 81,1331 84,1332 0.224,1333 177.68,1334 294.61,1335 425.299,1336 20893,1337 2.4,1338 18.259,1339 0.702,1340 0.573,1341 18.759,1342 14.886,1343 12.597,1344 0.434,1345 0.287,1346 7.855,1347 11.825,1348 7.591,1349 6.302,1350 12.885,1351 8.325,1352 11.359,1353 0.27,1354 0.148,1355 11.73,1356 6.233,1357 10.141,1358 0.169,1359 0.076,1360 10.473,1361 4.58,1362 8.969,1363 0.108,1364 0.04,1365 9.347,1366 3.343,1367 7.134,1368 0.067,1369 0.02,1370 7.419,1371 2.173,1372 0.338,1373 82.218,1374 0.228,1375 24.403,1376 0.661,1377 142,1378 441.63,1379 169.828,1380 457.514,1381 621.89,1382 428,1383 173,1384 440.129,1385 198.778,1386 458.271,1387 675.07,1388 430,1389 5}
{0 CHEMBL7064,1 1.472,2 5.647,3 2.995,4 8.969,5 65.355,6 8.81,7 0.8,8 3.39,9 3.48,10 3.123,11 3.091,12 4.591,13 3.084,14 3.868,15 3.967,16 3.527,17 3.515,18 5.044,19 3.5,20 4.091,21 4.232,22 3.619,23 3.605,24 5.288,25 3.583,26 4.099,27 4.248,28 3.54,29 3.478,30 5.396,31 3.469,32 3.933,33 4.118,34 3.127,35 3.177,36 5.269,37 3.125,38 3.519,39 3.755,40 2.312,41 2.727,42 4.531,43 2.582,44 2.938,45 3.224,46 1.401,47 2.098,48 3.655,49 1.863,50 2.219,51 2.574,52 0.316,53 1.178,54 2.639,55 0.876,56 0.042,57 0.336,58 3.207,59 1.844,60 3.923,61 2.043,62 0.03,63 0.529,64 5.451,65 3.141,66 6.469,67 3.502,68 0.059,69 0.674,70 8.788,71 4.401,72 12.535,73 5.179,74 0.117,75 0.708,76 9.351,77 4.23,78 21.969,79 4.424,80 0.251,81 0.621,82 9.301,83 3.708,84 33.77,85 3.879,86 0.123,87 0.398,88 7.256,89 2.939,90 21.585,91 3.478,92 0.037,93 0.218,94 4.436,95 1.869,96 6.058,97 2.637,98 0.023,99 0.103,100 2.801,101 1.051,102 4.104,103 1.606,104 2,105 30,106 0.283,107 0.553,108 0.668,109 0.803,110 0.876,111 0.891,112 2.914,113 0.821,114 -3.83,115 -3.79,116 -3.6,119 56,142 7,143 4,146 1,152 1,157 1,168 1,172 10,175 4,180 2,183 12,188 7,193 4,196 10,200 6,205 4,208 8,212 1,213 4,216 1,218 1,221 8,225 1,233 5,246 2,276 178,277 11.914,278 11.914,279 11.914,280 11.914,281 11.914,282 10.047,283 1.291,284 6.855,285 11.957,286 9.877,287 9.877,288 9.877,289 9.877,290 9.877,291 6.984,292 0.417,293 3.216,294 9.924,295 3.172,296 1.762,297 1.166,298 0.46,299 0.08,301 3.615,305 1,306 1,307 221,308 1.871,311 17.835,312 68.551,315 66.464,316 76.363,317 42.245,319 0.844,320 14.254,323 1,324 0.83,325 1,326 0.4,328 1,329 1,330 0.75,331 36,332 96,333 4.79,334 3.684,335 7.122,336 4.39,337 3.392,338 4.713,340 12.389,341 3.387,342 4.154,343 3.029,344 6.298,345 3.706,346 2.711,347 3.831,349 9.361,350 2.697,351 3.814,352 2.63,353 6.001,354 3.458,355 2.451,356 3.221,358 8.266,359 2.464,360 3.294,361 1.835,362 5.104,363 2.815,364 1.835,365 2.653,367 5.696,368 1.797,369 3.006,370 1.804,371 4.205,372 2.519,373 1.515,374 2.214,376 3.57,377 1.518,378 2.813,379 1.344,380 4.033,381 2.331,382 1.331,383 1.959,385 3.07,386 1.331,387 2.5,388 1.289,389 3.609,390 1.98,391 1,392 1.5,394 2.511,395 0.978,396 2.481,397 1,398 3.545,399 1.95,400 0.934,401 1.404,403 2.32,404 0.944,405 1.994,406 0.691,407 3.208,408 1.439,409 0.414,410 0.641,412 1.053,413 0.421,414 0.965,415 -0.254,416 2.634,417 0.582,418 -0.419,419 -0.544,421 -1.114,422 -0.419,423 0.895,424 -0.445,425 2.351,426 0.398,427 -0.621,428 -0.921,430 -1.513,431 -0.626,432 0.647,433 -0.765,434 2,435 0.173,436 -0.844,437 -1.257,439 -2.055,440 -0.858,441 0.5,442 -1,443 2,444 -0.01,445 -1,446 -1.5,448 -2.614,449 -0.989,450 0.028,451 -1.227,452 2,453 -0.415,454 -1.42,455 -1.999,457 -4.177,458 -1.393,459 -0.097,460 -1.481,461 1.724,462 -0.533,463 -1.541,464 -2.187,466 -4.46,467 -1.597,468 8.133,469 0.478,470 0.398,471 0.023,472 26.25,473 1.544,474 15.5,475 0.912,476 10.75,477 0.632,478 9.09,479 0.535,480 15.867,481 0.635,482 15.886,483 0.934,484 5.235,485 0.308,486 3.126,487 0.184,488 0.041,490 0.43,496 0.535,497 0.704,498 0.606,499 0.683,500 0.508,501 0.658,502 0.661,503 1.026,504 0.723,505 0.907,506 0.613,507 0.84,508 0.813,509 1.067,510 0.754,511 0.983,512 0.788,513 0.886,514 1.461,515 1.265,516 1.034,517 1.111,518 1.421,519 1.026,520 1.552,521 0.957,522 1.372,523 1.048,524 1.64,525 1.152,526 1.314,527 0.862,528 1.483,529 1.062,530 1.383,531 1.256,532 0.291,533 0.958,534 1.287,535 1.296,536 0.265,537 1.42,538 0.098,539 0.725,540 0.877,541 0.981,542 0.155,543 1.047,544 2,546 2.222,547 1.563,548 1.297,549 0.455,550 0.079,554 2213,555 5931,556 2.269,557 32,559 7,562 1,567 1.58,568 2.17,569 2.542,570 -0.314,574 1,577 36.793,578 1.472,579 2.882,580 3.477,581 4.183,582 4.564,583 4.644,584 1.904,585 3.617,586 4.069,587 2.533,588 344.505,589 6.923,590 2970.14,592 1,594 1,595 116.096,596 1.253,597 4.04,598 0.1,600 0.074,601 0.049,602 0.046,603 0.027,604 0.011,608 0.307,609 1,610 1,611 0.481,612 66.442,613 0.063,614 0.248,615 0.039,616 0.12,617 -0.045,618 0.083,619 -0.038,620 -0.109,621 -0.032,622 -0.078,623 -0.062,624 -0.059,625 0.012,626 -0.146,627 0.11,628 -0.066,629 0.04,630 0.016,631 -0.167,632 -0.265,633 -0.1,634 -0.2,635 -0.078,636 -0.152,637 -0.03,638 0.091,639 -0.305,640 -0.071,641 -0.04,642 -0.196,643 -0.268,644 0.09,645 -0.29,646 0.039,647 -0.264,648 -0.096,649 0.12,650 -0.074,651 0.017,652 -0.103,653 0.058,654 -0.068,655 0.352,656 0.149,657 0.771,658 0.417,659 0.247,660 0.607,661 1.583,662 5.351,663 0.941,664 7.031,665 1.007,666 1.098,667 2.6,668 6.762,669 0.75,670 3.045,671 3.434,672 3.85,673 4.234,674 4.533,675 4.673,676 4.844,677 4.97,678 4.99,679 4.927,680 3.484,681 0.734,682 220.24,683 3.045,684 4.615,685 5.533,686 6.466,687 7.402,688 8.342,689 9.282,690 10.224,691 11.165,692 12.108,693 8,701 1,703 1,708 2,709 7,710 1,711 1,714 4,716 16,721 1,735 25,737 17,738 2,739 20,741 28,742 14,743 13,744 5,745 7,746 1,748 4,749 12,762 14,767 1,772 1,776 1,780 1,783 8,784 2,785 1,786 3,792 2,797 0.25,798 1,807 1,815 1,816 3,819 2,820 2,821 1,843 1,851 17,874 4,877 1,881 7.833,882 4.7,883 3.611,884 1.531,886 3.448,887 1.481,888 1.131,889 1.513,890 10.62,891 3.401,892 4.107,893 4.865,894 5.583,895 6.197,896 6.633,897 7.151,898 7.614,899 7.947,900 8.283,901 0.75,902 32,903 6.275,905 2.853,906 7.745,907 11.96,909 10.486,911 2.245,912 38.167,913 0.002,916 82.398,917 88.498,918 33.326,920 25.145,923 88.498,924 107.543,925 33.326,928 66.334,929 46.941,930 30.937,931 2.757,932 82.398,934 82.398,935 121.824,936 25.145,939 82.398,940 25.145,943 18.807,944 86.354,945 16.663,947 82.398,948 58.471,949 88.498,952 82.398,953 22.164,954 66.334,955 16.663,956 41.808,957 82.398,958 58.471,959 88.498,961 0.593,962 0.379,963 0.23,964 0.128,965 19,966 7,969 4,970 1.438,971 2.907,972 139.236,973 0.5,974 15,975 67.487,981 8.854,982 2.904,983 0.992,984 1.788,985 41.808,986 13.287,987 4.246,988 3.03,991 3.381,993 16.663,994 229.366,995 29,1000 12.351,1004 0.083,1007 25.182,1008 27.452,1009 0.317,1010 0.621,1011 0.749,1012 0.901,1013 0.983,1014 1,1015 4.644,1016 0.934,1017 5.541,1018 2.511,1019 4.111,1020 4.792,1022 6.466,1023 4.104,1024 5.894,1025 0.414,1026 7.163,1027 2.32,1028 3.761,1029 4.677,1031 7.573,1032 3.761,1033 7.24,1034 -0.419,1035 8.892,1036 1.053,1037 5.796,1038 7.141,1040 10.778,1041 5.785,1042 8.631,1043 -0.621,1044 10.685,1045 -1.114,1046 6.33,1047 7.929,1049 12.726,1050 6.325,1051 10.058,1052 -0.844,1053 12.518,1054 -1.513,1055 7.823,1056 9.821,1058 15.456,1059 7.81,1060 11.514,1061 -1,1062 14.377,1063 -2.055,1064 8.746,1065 11.023,1067 17.733,1068 8.737,1069 12.99,1070 -1.42,1071 16.256,1072 -2.614,1073 10.045,1074 12.694,1076 20.313,1077 10.03,1078 3.392,1079 -1.541,1080 18.148,1081 -4.177,1082 11.136,1083 14.085,1085 22.726,1086 11.123,1087 2.711,1088 12.389,1089 20.05,1090 -4.46,1091 12.37,1092 15.672,1094 25.26,1095 12.354,1096 2.451,1097 9.361,1098 21.961,1099 4.713,1100 13.532,1101 17.148,1103 27.73,1104 13.516,1105 1.835,1106 8.266,1107 23.879,1108 3.831,1109 14.748,1110 18.705,1112 30.249,1113 14.73,1114 1.515,1115 5.696,1116 25.803,1117 3.221,1118 15.941,1119 20.219,1121 32.745,1122 15.921,1123 1.331,1124 3.57,1125 27.732,1126 2.653,1127 17.154,1128 21.767,1130 35.26,1131 17.133,1132 1,1133 3.07,1134 29.665,1135 2.214,1136 18.361,1137 23.299,1139 37.767,1140 18.339,1141 2079,1142 3482,1143 13.929,1144 18.75,1145 31.592,1146 32.452,1147 32.252,1148 31.178,1149 31.165,1150 44.273,1152 96.47,1153 31.073,1154 5.604,1155 5.684,1156 6.801,1157 5.39,1158 5.392,1159 7.713,1161 20.389,1162 5.387,1163 4.376,1164 1.58,1165 1.623,1166 1.613,1167 1.559,1168 1.558,1169 2.214,1171 4.824,1172 1.554,1173 4.178,1174 4.205,1175 4.155,1176 4.101,1177 7.427,1178 4.11,1179 3.789,1180 3.82,1181 3.729,1182 3.727,1183 5.081,1184 3.723,1185 3.407,1186 3.467,1187 3.352,1188 3.207,1189 4.653,1190 3.233,1191 3.205,1192 3.223,1193 3.129,1194 3.077,1195 4.356,1196 3.087,1197 2.831,1198 2.894,1199 2.707,1200 2.712,1201 3.767,1202 2.702,1203 2.575,1204 2.636,1205 2.462,1206 2.489,1207 3.628,1208 2.477,1209 2.493,1210 2.548,1211 2.377,1212 2.269,1213 3.312,1214 2.289,1215 2.33,1216 2.377,1217 2.221,1218 1.98,1219 3.203,1220 2.039,1221 0.239,1222 0.184,1223 0.356,1224 0.22,1225 0.17,1226 4.79,1227 0.236,1228 3.684,1230 7.122,1231 0.619,1232 4.39,1233 0.169,1234 3.392,1235 4.713,1237 12.389,1238 3.387,1239 2.047,1240 2.036,1241 2.105,1242 2.103,1243 1.278,1244 2.103,1245 1.79,1246 1.762,1247 1.903,1248 1.889,1249 0.989,1250 1.892,1251 1.328,1252 1.266,1253 1.461,1254 1.607,1255 0.496,1256 1.57,1257 1.081,1258 1.064,1259 1.223,1260 1.28,1261 0.286,1262 1.251,1263 0.944,1264 0.883,1265 1.117,1266 1.118,1267 0.156,1268 1.13,1269 0.725,1270 0.654,1271 1.004,1272 0.938,1274 0.971,1275 0.584,1276 0.54,1277 0.812,1278 0.72,1280 0.754,1281 0.199,1282 0.148,1283 0.502,1284 0.559,1286 0.545,1287 3.714,1289 5.081,1290 2.398,1291 6.681,1292 4.727,1293 8.391,1294 6.88,1295 10.162,1314 18.338,1315 36.793,1316 72.039,1317 86.935,1318 104.587,1319 114.096,1320 116.096,1321 19.905,1322 7.172,1323 45.75,1324 45.75,1325 23,1326 12.602,1327 4.17,1328 3.322,1329 20.756,1330 40,1331 24,1332 0.307,1333 109.655,1334 178.29,1335 259.319,1336 10868,1338 11.405,1339 0.671,1340 0.523,1341 11.405,1342 8.897,1343 8.36,1344 0.418,1345 0.274,1346 5.428,1347 8.168,1348 5.331,1349 4.38,1350 8.36,1351 5.473,1352 7.645,1353 0.255,1354 0.139,1355 7.645,1356 4.173,1357 7.292,1358 0.159,1359 0.071,1360 7.292,1361 3.266,1362 6.756,1363 0.099,1364 0.037,1365 6.756,1366 2.496,1367 5.812,1368 0.063,1369 0.019,1370 5.812,1371 1.782,1372 0.435,1373 51.647,1374 0.268,1375 16.144,1376 0.999,1377 100,1378 269.714,1379 105.545,1380 268.259,1381 380.56,1382 252,1383 126,1384 294.088,1385 132.572,1386 300.038,1387 448.92,1388 285,1389 6.5}
{0 CHEMBL91829,1 1.502,2 9.743,3 3.479,4 12.106,5 135.851,6 7.438,7 0.5,8 4.257,9 4.372,10 3.84,11 3.811,12 5.311,13 3.796,14 4.831,15 5.002,16 4.238,17 4.25,18 5.851,19 4.221,20 5.087,21 5.269,22 4.344,23 4.446,24 6.081,25 4.384,26 5.26,27 5.47,28 4.46,29 4.561,30 6.273,31 4.488,32 5.371,33 5.576,34 4.55,35 4.626,36 6.383,37 4.562,38 5.455,39 5.667,40 4.625,41 4.699,42 6.486,43 4.634,44 5.519,45 5.746,46 4.566,47 4.705,48 6.531,49 4.625,50 5.405,51 5.634,52 4.318,53 4.565,54 6.422,55 4.453,56 0.01,57 0.931,58 12.794,59 5.704,60 8.109,61 7.426,62 0.33,63 1.576,64 25.693,65 9.495,66 27.812,67 12.684,68 0.384,69 1.917,70 34.175,71 13.551,72 35.095,73 17.839,74 0.389,75 2.258,76 41.743,77 16.368,78 66.1,79 22.422,80 0.571,81 2.511,82 47.271,83 17.453,84 57.707,85 23.328,86 0.503,87 2.715,88 51.617,89 19.102,90 69.583,91 25.88,92 0.628,93 2.852,94 56.723,95 19.81,96 93.764,97 26.839,98 0.758,99 2.485,100 51.171,101 18.086,102 105.793,103 24.444,104 19,105 59,106 0.237,107 0.569,108 0.715,109 0.784,110 0.804,111 0.824,112 3.59,113 0.903,114 -3.48,115 -3.46,116 -3.31,119 44.4,121 1,124 2,125 4,127 1,136 2,142 8,143 4,151 2,152 2,158 2,172 13,175 10,178 2,180 2,183 14,187 2,188 11,193 2,196 13,199 2,200 8,205 2,208 13,212 3,213 10,216 2,218 2,221 12,224 3,225 14,230 4,233 10,237 1,238 16,243 3,246 10,249 1,250 14,253 1,258 8,263 1,264 6,272 7,276 1438,277 23.93,278 23.93,279 23.93,280 23.93,281 23.93,282 21.264,283 21.829,284 13.939,285 24.38,286 19.802,287 19.802,288 19.802,289 19.802,290 19.802,291 15.494,292 21.51,293 6.631,294 20.498,295 4.476,296 2.372,297 1.445,298 1.008,299 0.881,300 0.754,301 4.308,306 1,307 765,308 3.24,311 112.181,312 97.343,315 139.797,319 0.993,320 32.204,323 1,324 0.67,325 1,326 0.8,327 0.5,328 1,329 1,330 0.85,331 75,332 341,333 4.825,334 3.839,335 7.187,336 4.422,337 3.429,338 4.714,339 1.2,340 12.66,341 3.405,342 4.638,343 3.32,344 6.82,345 4.167,346 3.194,347 4.601,348 0.86,349 11.317,350 3.111,351 4.357,352 3.219,353 6.535,354 3.918,355 2.943,356 3.942,357 0.8,358 10.243,359 2.866,360 3.609,361 3.152,362 5.878,363 3.505,364 2.574,365 2.917,366 0.8,367 7.843,368 2.39,369 3.581,370 2.943,371 5.489,372 3.252,373 2.266,374 2.806,376 7.262,377 2.234,378 3.433,379 2.483,380 5.399,381 3.058,382 2.106,383 2.723,385 6.615,386 2.004,387 3.384,388 2.375,389 5.217,390 2.97,391 1.996,392 2.63,394 5.936,395 1.928,396 3.325,397 2.249,398 4.956,399 2.907,400 1.939,401 2.54,403 5.465,404 1.876,405 3.149,406 2.037,407 4.751,408 2.783,409 1.857,410 2.307,412 4.662,413 1.704,414 2.937,415 1.923,416 4.436,417 2.678,418 1.648,419 1.952,421 4.576,422 1.685,423 2.843,424 1.502,425 4.379,426 2.327,427 1.331,428 1.913,430 3.638,431 1.323,432 2.705,433 1.451,434 3.808,435 2.28,436 1.309,437 1.789,439 2.941,440 1.266,441 2.628,442 1.236,443 3.628,444 2.158,445 1.176,446 1.649,448 2.814,449 1.152,450 2.452,451 1.206,452 3.594,453 2.088,454 1.112,455 1.427,457 2.709,458 1.079,459 2.206,460 1.005,461 3.574,462 1.812,463 0.846,464 1.071,466 2.137,467 0.812,468 16.6,469 0.474,470 0.922,471 0.026,472 44.25,473 1.264,474 20.5,475 0.586,476 23.75,477 0.679,478 34.267,479 0.979,480 36.8,481 0.584,482 39.403,483 1.126,484 8.837,485 0.252,486 8.171,487 0.233,488 0.1,490 0.404,496 0.746,497 1.368,498 0.757,499 1.083,500 0.542,501 0.943,502 1.038,503 0.92,504 0.874,505 0.786,506 0.566,507 0.786,508 1.05,509 0.999,510 0.972,511 0.978,512 0.874,513 0.969,514 0.729,515 1.045,516 0.826,517 0.996,518 0.521,519 0.935,520 1.102,521 1,522 0.96,523 0.992,524 0.904,525 0.962,526 1.02,527 1.051,528 0.902,529 1.007,530 1.006,531 0.947,532 1.269,533 0.981,534 1.035,535 0.956,536 1.261,537 0.956,538 1.267,539 0.996,540 1.184,541 1.027,542 1.448,543 1.085,544 6,545 0.186,546 3.778,547 3.847,548 1.994,549 1.779,550 1.447,551 0.889,552 0.611,553 0.34,554 15429,555 36566,556 2.173,557 44.4,559 23,560 2,562 1,565 2,567 1.78,568 2.039,569 3.221,570 -0.401,577 94.602,578 1.502,579 3.605,580 4.533,581 4.969,582 5.096,583 5.223,584 2.119,585 4.844,586 5.11,587 3.324,588 1977.84,589 9.037,590 28638.5,595 376.569,596 1.392,597 5.065,598 0.15,599 0.01,600 0.064,601 0.06,602 0.028,603 0.023,604 0.018,605 0.012,606 0.011,607 0.009,608 0.384,609 0.5,610 0.75,611 0.797,612 181.497,613 -0.016,614 -0.211,615 0.075,616 -0.066,617 -0.029,618 0.003,619 -0.045,620 0.209,621 0.047,622 0.18,623 0.042,624 0.142,625 -0.039,626 0.029,627 -0.035,628 0.026,629 -0.046,631 0.115,632 -0.045,633 0.123,634 0.008,635 0.198,636 0.059,637 0.013,638 0.016,639 0.019,640 -0.016,641 0.022,642 -0.003,643 0.026,644 -0.047,645 0.076,646 -0.027,647 0.04,648 0.024,649 -0.127,650 0.016,651 -0.031,652 0.007,653 -0.064,654 0.006,655 -0.104,656 -0.025,657 -0.175,658 -0.055,659 -0.136,660 -0.115,661 2.015,662 6.201,663 0.829,664 24.898,665 1,666 1.121,667 2.253,668 5.077,669 0.675,670 3.714,671 4.094,672 4.454,673 4.844,674 5.112,675 5.328,676 5.591,677 5.805,678 5.953,679 6.12,680 5.908,681 0.644,682 468.6,683 3.714,684 5.293,685 6.188,686 7.114,687 8.033,688 8.969,689 9.899,690 10.84,691 11.777,692 12.721,693 6.3,696 1,700 1,701 2,708 4,709 10,714 2,715 2,716 20,735 63,737 23,738 2,739 40,741 68,742 28,743 16,744 4,745 8,746 4,748 6,749 25,757 2,760 2,762 20,763 8,767 3,772 2,776 4,783 28,784 5,785 1,786 7,792 4,794 1,797 0.167,798 3,811 2,815 3,816 2,819 2,835 2,839 1,842 1,843 1,847 2,851 35,858 5,860 1,861 1,863 1,864 1,874 4.8,877 2,878 1,881 17.167,882 12.017,883 7.472,884 3.843,886 4.447,887 1.472,888 1.04,889 5.602,890 13.864,891 3.989,892 4.649,893 5.346,894 6.052,895 6.633,896 7.101,897 7.643,898 8.131,899 8.461,900 8.906,901 0.5,902 64,903 13.061,905 5.798,906 7.657,907 25.224,909 21.726,911 2.157,912 75.5,916 317.82,917 155.727,918 24.933,920 61.29,923 155.727,924 379.109,925 24.933,926 16.793,927 31.455,928 93.905,929 70.699,930 24.811,931 27.83,932 294.278,934 317.82,935 180.661,936 61.29,939 294.278,940 73.832,941 11,943 38.377,944 142.283,947 317.82,948 86.223,949 155.727,952 317.82,953 45.03,954 117.62,955 18.011,956 61.29,957 317.82,958 86.223,959 155.727,961 0.589,962 0.351,963 0.212,964 0.119,965 32,966 14,967 0.029,968 2,969 7,970 1.414,971 4.226,972 384.711,973 0.483,974 27,975 177.525,981 22.293,982 8.795,983 3.823,984 3.982,985 82.425,986 20.119,991 1.565,992 4.319,993 18.011,994 559.77,995 53,1000 26.371,1004 0.201,1007 62.992,1008 70.604,1009 0.251,1010 0.603,1011 0.758,1012 0.831,1013 0.853,1014 0.874,1015 5.263,1016 1.939,1017 6.196,1018 5.936,1019 4.779,1020 5.338,1021 2.028,1022 7.093,1023 4.72,1024 6.495,1025 1.857,1026 7.8,1027 5.465,1028 4.443,1029 5.278,1030 0.325,1031 8.146,1032 4.365,1033 7.833,1034 1.648,1035 9.508,1036 4.662,1037 6.441,1038 7.644,1039 2.018,1040 11.336,1041 6.336,1042 9.214,1043 1.331,1044 11.278,1045 4.576,1046 6.957,1047 8.481,1048 0.268,1049 13.272,1050 6.845,1051 10.634,1052 1.309,1053 13.091,1054 3.638,1055 8.435,1056 10.329,1057 2.149,1058 15.986,1059 8.302,1060 12.084,1061 1.176,1062 14.933,1063 2.941,1064 9.341,1065 11.569,1066 0.188,1067 18.269,1068 9.205,1069 13.557,1070 1.112,1071 16.797,1072 2.814,1073 10.629,1074 13.22,1075 2.37,1076 20.836,1077 10.478,1078 3.429,1079 0.846,1080 18.678,1081 2.709,1082 11.706,1083 14.633,1084 0.125,1085 23.254,1086 11.553,1087 3.194,1088 12.66,1089 20.572,1090 2.137,1091 12.929,1092 16.21,1093 2.65,1094 25.777,1095 12.765,1096 2.943,1097 11.317,1098 22.477,1099 4.714,1100 14.078,1101 17.694,1102 0.082,1103 28.249,1104 13.911,1105 2.574,1106 10.243,1107 24.391,1108 4.601,1109 15.283,1110 19.243,1111 2.964,1112 30.762,1113 15.108,1114 2.266,1115 7.843,1116 26.311,1117 3.942,1118 16.464,1119 20.757,1120 0.054,1121 33.259,1122 16.284,1123 2.106,1124 7.262,1125 28.237,1126 2.917,1127 17.666,1128 22.298,1129 3.298,1130 35.772,1131 17.48,1132 1.996,1133 6.615,1134 30.167,1135 2.806,1136 18.862,1137 23.825,1138 0.035,1139 38.282,1140 18.671,1141 14253,1142 22158,1143 27.164,1144 42.523,1145 62.398,1146 63.666,1147 63.769,1148 61.687,1149 61.664,1150 80.784,1151 7.32,1152 187.307,1153 59.814,1154 5.762,1155 5.839,1156 6.866,1157 5.512,1158 5.429,1159 7.714,1160 2.4,1161 20.497,1162 5.405,1163 15.604,1164 1.56,1165 1.592,1166 1.594,1167 1.542,1168 1.542,1169 2.02,1170 0.183,1171 4.683,1172 1.495,1173 4.209,1174 4.237,1175 4.179,1176 4.127,1177 7.45,1178 4.136,1179 4.097,1180 4.131,1181 4.061,1182 4.013,1183 7.408,1184 4.021,1185 3.788,1186 3.831,1187 3.745,1188 3.632,1189 4.957,1190 3.653,1191 3.741,1192 3.777,1193 3.632,1194 3.577,1195 4.886,1196 3.581,1197 3.522,1198 3.596,1199 3.391,1200 3.355,1201 4.584,1202 3.356,1203 3.493,1204 3.561,1205 3.361,1206 3.297,1207 4.328,1208 3.304,1209 3.311,1210 3.37,1211 3.191,1212 3.119,1213 4.278,1214 3.125,1215 3.202,1216 3.257,1217 3.068,1218 3.075,1219 4.232,1220 3.068,1221 0.121,1222 0.096,1223 0.18,1224 0.111,1225 0.086,1226 4.825,1227 0.118,1228 3.839,1229 0.03,1230 7.187,1231 0.317,1232 4.422,1233 0.085,1234 3.429,1235 4.714,1236 1.2,1237 12.66,1238 3.405,1239 1.964,1240 1.946,1241 2.05,1242 2.05,1243 1.309,1244 2.051,1245 1.931,1246 1.905,1247 2.027,1248 2.024,1249 1.204,1250 2.026,1251 1.787,1252 1.746,1253 1.959,1254 1.957,1255 1.173,1256 1.961,1257 1.661,1258 1.615,1259 1.823,1260 1.842,1261 1.052,1262 1.841,1263 1.581,1264 1.527,1265 1.775,1266 1.78,1267 0.969,1268 1.781,1269 1.451,1270 1.376,1271 1.674,1272 1.661,1273 0.837,1274 1.667,1275 1.299,1276 1.262,1277 1.467,1278 1.61,1279 0.647,1280 1.546,1281 1.187,1282 1.128,1283 1.417,1284 1.41,1285 0.552,1286 1.416,1287 4.394,1289 5.759,1290 3.434,1291 7.307,1292 5.938,1293 8.947,1294 8.138,1295 10.641,1297 4.126,1303 3.644,1305 2.566,1306 6.377,1308 0.074,1309 2.154,1314 40.552,1315 94.602,1316 227.108,1317 285.549,1318 313.059,1319 321.059,1320 329.059,1321 61.165,1322 9.416,1323 72.26,1324 72.26,1325 41,1326 13.215,1327 4.585,1328 3.807,1329 46.46,1330 140,1331 119,1332 0.181,1333 241.96,1334 416.53,1335 582.143,1336 191113,1338 24.104,1339 0.689,1340 0.57,1341 24.104,1342 19.953,1343 17.008,1344 0.425,1345 0.301,1346 11.864,1347 16.368,1348 11.56,1349 9.521,1350 17.008,1351 12.038,1352 15.892,1353 0.269,1354 0.162,1355 15.892,1356 9.584,1357 13.639,1358 0.16,1359 0.082,1360 13.639,1361 6.994,1362 12.797,1363 0.102,1364 0.043,1365 12.797,1366 5.467,1367 10.619,1368 0.064,1369 0.023,1370 10.619,1371 3.864,1372 0.271,1373 106.451,1374 0.192,1375 30.705,1376 0.538,1377 198,1378 528.475,1379 214.27,1380 509.984,1381 710.54,1382 480,1383 243,1384 531.818,1385 260.744,1386 541.512,1387 807.73,1388 510,1389 6.018}
{0 CHEMBL939,1 1.765,2 12.935,3 4.203,4 17.668,5 117.539,6 8.126,7 0.5,8 4.125,9 4.233,10 3.763,11 3.608,12 5.232,13 3.614,14 4.683,15 4.851,16 4.108,17 3.975,18 5.763,19 3.967,20 4.893,21 5.085,22 4.228,23 4.114,24 6.01,25 4.075,26 4.91,27 5.131,28 4.063,29 4.094,30 5.891,31 4.01,32 4.924,33 5.162,34 3.998,35 4.066,36 5.867,37 3.975,38 4.855,39 5.07,40 4.024,41 4.022,42 5.847,43 3.955,44 4.822,45 5.037,46 4.035,47 4,48 5.867,49 3.93,50 4.743,51 4.957,52 4.007,53 3.938,54 5.802,55 3.875,56 0.111,57 0.856,58 10.201,59 4.964,60 8.62,61 6.061,62 0.52,63 1.327,64 22.65,65 8.032,66 32.965,67 9.846,68 0.832,69 1.556,70 32.057,71 10.206,72 61.553,73 12.9,74 0.668,75 1.527,76 32.189,77 10.914,78 50.112,79 14.647,80 0.769,81 1.436,82 34.793,83 11.224,84 55.907,85 15.459,86 0.703,87 1.383,88 30.31,89 10.185,90 51.652,91 13.425,92 0.773,93 1.377,94 29.541,95 9.526,96 53.011,97 12.641,98 0.507,99 1.332,100 28.621,101 8.847,102 41.222,103 11.646,104 11,105 46,106 0.291,107 0.618,108 0.788,109 0.862,110 0.862,111 0.862,112 3.472,113 0.926,114 -4.14,115 -4.08,116 -3.86,119 40,121 1,124 1,125 6,142 5,143 1,144 5,146 1,147 1,148 1,172 2,174 1,175 7,178 1,180 3,183 3,187 2,188 5,193 2,196 3,199 2,200 4,203 1,205 2,208 4,212 2,213 3,216 1,221 5,224 1,225 4,228 1,233 4,237 2,238 7,243 1,246 2,250 4,258 1,263 2,264 3,267 1,272 2,276 1793,277 21.3,278 21.3,279 21.3,280 21.3,281 21.3,282 19.212,283 28.856,284 12.772,285 22.231,286 16.748,287 16.748,288 16.748,289 16.748,290 16.748,291 13.558,292 41.089,293 6.022,294 18.21,295 4.016,296 2.038,297 1.007,298 0.559,299 0.559,300 0.559,301 4.172,302 1,305 1,306 1,307 866,308 3.24,312 375.27,316 143.891,319 2.067,320 34.732,323 1,324 1,325 1,326 1,327 0.5,328 1,329 1,330 0.93,331 68.833,332 401,333 4.575,334 3.319,335 6.586,336 4.099,337 3.135,338 4.513,339 0.86,340 10.534,341 3.023,342 4.218,343 3.281,344 6.054,345 3.76,346 2.835,347 3.872,348 0.86,349 8.734,350 2.605,351 3.99,352 2.944,353 5.946,354 3.569,355 2.645,356 3.493,357 0.86,358 8.294,359 2.43,360 3.569,361 2.884,362 5.361,363 3.436,364 2.52,365 2.926,366 0.8,367 6.965,368 2.305,369 3.52,370 2.475,371 5.34,372 3.155,373 2.228,374 2.674,375 0.4,376 6.774,377 2.032,378 3.334,379 2.316,380 5.011,381 2.867,382 1.925,383 2.521,385 5.763,386 1.803,387 2.999,388 2.162,389 4.505,390 2.589,391 1.675,392 2.22,394 4.444,395 1.524,396 2.82,397 2.123,398 4.042,399 2.481,400 1.561,401 1.949,403 3.523,404 1.433,405 2.767,406 1.897,407 3.948,408 2.319,409 1.414,410 1.819,412 3.451,413 1.23,414 2.581,415 1.618,416 3.696,417 2.29,418 1.414,419 1.587,421 3.144,422 1.217,423 2.312,424 1.367,425 3.448,426 2.091,427 1.174,428 1.3,430 2.612,431 1.067,432 2,433 1.256,434 3.247,435 1.952,436 1,437 1,439 2.136,440 0.946,441 1.822,442 0.969,443 3.201,444 1.535,445 0.632,446 0.729,448 1.449,449 0.565,450 1.555,451 0.825,452 2.898,453 1.27,454 0.391,455 0.416,457 0.737,458 0.34,459 1.471,460 0.734,461 2.812,462 1.162,463 0.282,464 0.34,466 0.598,467 0.236,468 14.6,469 0.471,470 0.623,471 0.02,472 38.75,473 1.25,474 17.5,475 0.565,476 21.25,477 0.685,478 26.928,479 0.869,480 34.6,481 0.629,482 29.763,483 0.96,484 7.851,485 0.253,486 7.285,487 0.235,488 0.103,490 0.301,494 1,496 0.775,497 1.345,498 0.626,499 1.16,500 0.585,501 0.989,502 1.168,503 0.98,504 0.792,505 0.838,506 0.738,507 0.833,508 1.016,509 1.056,510 0.905,511 0.952,512 0.808,513 0.943,514 0.783,515 0.984,516 0.87,517 1.054,518 0.73,519 1.065,520 0.707,521 0.736,522 0.809,523 0.899,524 0.482,525 0.916,526 0.933,527 0.895,528 0.777,529 0.917,530 0.705,531 0.942,532 0.928,533 0.86,534 0.854,535 0.838,536 0.69,537 0.915,538 0.962,539 1.09,540 1.043,541 1.073,542 0.862,543 1.026,544 5.5,545 0.177,546 3.111,547 1.563,548 1.782,549 0.736,550 0.625,551 0.531,552 0.32,553 0.284,554 13808,555 42102,556 2.104,557 43.6,559 20,561 1,562 1,565 2,567 1.737,568 2,569 3.648,570 -0.297,572 1,577 97.073,578 1.765,579 3.743,580 4.774,581 5.222,582 5.222,583 5.222,584 3.112,585 4.696,586 4.92,587 3.818,588 1775.43,589 8.602,590 25978.8,592 1,594 1,595 317.975,596 1.277,597 4.899,598 0.162,599 0.006,600 0.068,601 0.033,602 0.043,603 0.018,604 0.016,605 0.014,606 0.009,607 0.008,608 0.376,609 0.33,610 1,611 0.646,612 162.713,613 -0.052,614 -0.241,615 0.04,616 -0.139,617 -0.014,618 -0.038,619 -0.17,620 0.02,621 0.008,622 0.11,623 -0.016,624 0.087,625 -0.011,626 -0.043,627 0.013,628 0.016,629 0.095,630 0.007,631 0.019,632 -0.051,633 -0.011,634 -0.086,635 0.002,636 -0.076,637 0.081,638 0.061,639 0.074,640 0.064,641 0.075,642 0.092,643 -0.025,644 -0.026,645 0.053,646 0.042,647 -0.017,648 0.039,649 -0.003,650 0.031,651 0.039,652 0.111,653 0.023,654 0.05,655 -0.088,656 -0.116,657 -0.027,658 -0.096,659 -0.012,660 -0.053,661 2.141,662 5.468,663 0.71,664 36.081,665 1.017,666 1.136,667 2.907,668 8.449,669 0.665,670 3.555,671 3.85,672 4.111,673 4.344,674 4.605,675 4.644,676 4.762,677 4.898,678 5.024,679 5.063,680 7.531,681 0.641,682 446.95,683 3.555,684 5.081,685 5.922,686 6.783,687 7.642,688 8.511,689 9.377,690 10.251,691 11.123,692 12.001,693 7.3,696 1,701 1,703 2,708 2,709 6,710 2,714 6,716 17,728 1,733 2,734 2,735 55,737 17,738 2,739 34,741 58,742 22,743 14,744 7,745 5,748 4,749 5,750 1,760 1,762 14,763 8,780 1,781 1,783 24,784 8,785 1,786 9,787 1,792 4,797 0.75,798 3,810 1,816 4,820 1,839 1,842 1,843 3,847 1,848 1,849 1,851 31,858 7,860 1,861 3,864 1,873 2,874 5.5,878 1,879 2,881 15.5,882 10.136,883 6.944,884 3.258,886 3.35,887 1.427,888 0.977,889 7.404,890 11.2,891 3.773,892 4.357,893 4.936,894 5.514,895 6.126,896 6.428,897 6.814,898 7.249,899 7.671,900 7.846,901 0.889,902 48,903 11.46,905 4.82,906 7.789,907 21.807,909 17.542,911 2.289,912 70.944,915 1,916 270.735,917 122.422,918 54.706,919 39.149,920 33,921 14.96,923 122.422,924 342.884,925 69.666,926 10.883,927 22.629,928 47.381,929 56.342,930 82.336,931 17.288,932 258.964,933 39.149,934 270.735,935 177.128,936 47.96,937 39.149,939 262.153,940 45.542,941 11,943 54.527,944 89.03,945 72.72,947 285.695,948 87.706,949 161.571,952 270.735,953 55.539,954 70.007,955 18.011,956 120.679,957 270.735,958 102.666,959 161.571,961 0.571,962 0.336,963 0.178,964 0.1,965 21,966 9,967 0.138,968 8,969 1,970 1.091,971 4.318,972 272.759,973 0.091,974 22,975 149.58,981 22.028,982 10.42,983 5.547,984 1.454,985 102.666,986 9.546,987 8.666,991 1.968,993 18.011,994 534.972,995 42.5,1007 55.945,1008 62.472,1009 0.305,1010 0.647,1011 0.826,1012 0.903,1013 0.903,1014 0.903,1015 4.999,1016 1.561,1017 5.883,1018 4.444,1019 4.533,1020 5.043,1021 1.905,1022 6.658,1023 4.377,1024 6.181,1025 1.414,1026 7.418,1027 3.523,1028 4.007,1029 4.856,1030 0.325,1031 7.476,1032 3.767,1033 7.478,1034 1.414,1035 9.052,1036 3.451,1037 6.089,1038 7.255,1039 1.567,1040 10.569,1041 5.815,1042 8.812,1043 1.174,1044 10.746,1045 3.144,1046 6.399,1047 7.925,1048 0.268,1049 12.224,1050 6.05,1051 10.183,1052 1,1053 12.479,1054 2.612,1055 7.918,1056 9.801,1057 1.31,1058 14.822,1059 7.542,1060 11.577,1061 0.632,1062 14.238,1063 2.136,1064 8.631,1065 10.882,1066 0.188,1067 16.84,1068 8.196,1069 12.992,1070 0.391,1071 16.017,1072 1.449,1073 9.91,1074 12.538,1075 1.087,1076 19.264,1077 9.447,1078 3.135,1079 0.282,1080 17.81,1081 0.737,1082 10.825,1083 13.825,1084 0.125,1085 21.451,1086 10.316,1087 2.835,1088 10.534,1089 19.614,1090 0.598,1091 12,1092 15.386,1093 0.89,1094 23.814,1095 11.463,1096 2.645,1097 8.734,1098 21.428,1099 4.513,1100 13.016,1101 16.777,1102 0.082,1103 26.082,1104 12.442,1105 2.52,1106 8.294,1107 23.249,1108 3.872,1109 14.15,1110 18.297,1111 0.718,1112 28.427,1113 13.549,1114 2.228,1115 6.965,1116 25.077,1117 3.493,1118 15.217,1119 19.74,1120 0.054,1121 30.734,1122 14.583,1123 1.925,1124 6.774,1125 26.91,1126 2.926,1127 16.337,1128 21.244,1129 0.571,1130 33.076,1131 15.677,1132 1.675,1133 5.763,1134 28.749,1135 2.674,1136 17.431,1137 22.714,1138 0.035,1139 35.404,1140 16.741,1141 13112,1142 23153,1143 23.057,1144 36.557,1145 49.568,1146 51.362,1147 51.011,1148 49.795,1149 49.662,1150 62.717,1151 7.56,1152 138.316,1153 45.509,1154 5.575,1155 5.319,1156 6.388,1157 5.203,1158 5.135,1159 7.513,1160 1.72,1161 17.471,1162 5.023,1163 13.097,1164 1.458,1165 1.511,1166 1.5,1167 1.465,1168 1.461,1169 1.845,1170 0.222,1171 4.068,1172 1.339,1173 4.079,1174 4.107,1175 4.073,1176 3.977,1177 8.201,1178 3.991,1179 3.889,1180 3.909,1181 3.979,1182 3.819,1183 5.104,1184 3.819,1185 3.82,1186 3.884,1187 3.697,1188 3.61,1189 4.861,1190 3.621,1191 3.558,1192 3.603,1193 3.489,1194 3.346,1195 4.755,1196 3.362,1197 3.432,1198 3.482,1199 3.341,1200 3.229,1201 4.626,1202 3.246,1203 3.167,1204 3.241,1205 3.276,1206 2.941,1207 4.466,1208 2.944,1209 3.111,1210 3.206,1211 3.021,1212 2.927,1213 4.368,1214 2.91,1215 3.108,1216 3.174,1217 2.963,1218 2.882,1219 4.092,1220 2.89,1221 0.135,1222 0.098,1223 0.194,1224 0.121,1225 0.092,1226 4.575,1227 0.133,1228 3.319,1229 0.025,1230 6.586,1231 0.31,1232 4.099,1233 0.089,1234 3.135,1235 4.513,1236 0.86,1237 10.534,1238 3.023,1239 2.005,1240 1.984,1241 2.056,1242 2.126,1243 1.292,1244 2.106,1245 1.855,1246 1.835,1247 1.975,1248 1.993,1249 1.182,1250 1.991,1251 1.754,1252 1.691,1253 1.923,1254 1.946,1255 1.069,1256 1.945,1257 1.507,1258 1.452,1259 1.775,1260 1.742,1261 1.031,1262 1.75,1263 1.354,1264 1.309,1265 1.594,1266 1.616,1267 0.825,1268 1.604,1269 1.153,1270 1.064,1271 1.513,1272 1.407,1273 0.59,1274 1.429,1275 1.127,1276 1.047,1277 1.391,1278 1.376,1279 0.498,1280 1.417,1281 1.021,1282 0.961,1283 1.258,1284 1.274,1285 0.377,1286 1.259,1287 4.234,1289 5.533,1291 7.036,1293 8.634,1295 10.283,1297 1.6,1298 5.895,1299 13.468,1303 5.899,1305 3.173,1306 16.905,1309 2.369,1314 35.236,1315 97.073,1316 205.859,1317 262.591,1318 287.22,1319 287.22,1320 287.22,1321 55.025,1322 7.85,1323 68.74,1324 68.74,1325 24,1326 12.54,1327 4.17,1328 3.248,1329 49.422,1330 137,1331 152,1332 0.171,1333 217.506,1334 377.55,1335 522.475,1336 30787,1337 3.6,1338 21.631,1339 0.698,1340 0.58,1341 21.261,1342 17.992,1343 15.135,1344 0.445,1345 0.309,1346 9.925,1347 14.004,1348 9.718,1349 7.97,1350 15.013,1351 10.493,1352 13.173,1353 0.286,1354 0.164,1355 13.085,1356 7.56,1357 11.237,1358 0.187,1359 0.09,1360 10.838,1361 5.373,1362 9.019,1363 0.119,1364 0.048,1365 9.188,1366 3.622,1367 7.584,1368 0.077,1369 0.025,1370 7.494,1371 2.445,1372 0.272,1373 99.806,1374 0.208,1375 29.48,1376 0.46,1377 160,1378 572.789,1379 196.338,1380 540.013,1381 716.72,1382 508,1383 186,1384 488.128,1385 220.188,1386 494.037,1387 724.55,1388 463,1389 5.05}
{0 CHEMBL941,1 1.468,2 16.73,3 4.221,4 17.813,5 146.651,6 7.26,7 0.585,8 4.309,9 4.443,10 3.863,11 3.85,12 5.388,13 3.826,14 4.838,15 5.033,16 4.197,17 4.233,18 5.866,19 4.187,20 5.077,21 5.286,22 4.239,23 4.395,24 6.061,25 4.31,26 5.205,27 5.466,28 4.145,29 4.367,30 6.139,31 4.247,32 5.13,33 5.402,34 4.135,35 4.291,36 6.073,37 4.196,38 4.967,39 5.186,40 4.111,41 4.268,42 6.004,43 4.179,44 5.016,45 5.264,46 4.026,47 4.248,48 5.971,49 4.136,50 4.9,51 5.125,52 3.986,53 4.166,54 5.937,55 4.067,56 0.042,57 1.057,58 14.153,59 5.707,60 10.591,61 7.967,62 0.335,63 1.689,64 26.501,65 9.172,66 28.678,67 13.227,68 0.267,69 2.03,70 34.233,71 12.408,72 36.8,73 17.809,74 0.379,75 2.115,76 41.833,77 14.546,78 57.714,79 21.321,80 0.4,81 1.949,82 39.659,83 12.896,84 56.06,85 19.119,86 0.404,87 1.798,88 31.238,89 11.142,90 47.554,91 15.945,92 0.357,93 1.761,94 34.142,95 12.405,96 47.321,97 17.862,98 0.328,99 1.59,100 29.721,101 10.944,102 50.027,103 15.574,104 10,105 56,106 0.229,107 0.549,108 0.732,109 0.824,110 0.859,111 0.859,112 3.642,113 0.911,114 -4.14,115 -4.08,116 -3.86,119 42.6,120 1,124 1,125 5,142 10,143 4,144 2,145 3,146 1,150 1,158 1,172 11,174 1,175 7,178 3,180 5,183 12,187 1,188 6,193 5,196 7,199 1,200 13,204 1,205 6,208 3,213 9,218 3,221 5,224 1,225 6,228 4,230 2,233 11,237 1,238 3,241 1,243 2,246 13,249 2,250 5,255 4,258 11,264 8,269 2,272 6,276 2915,277 25.256,278 25.256,279 25.256,280 25.256,281 25.256,282 22.252,283 30.255,284 15.065,285 25.762,286 20.276,287 20.276,288 20.276,289 20.276,290 20.276,291 15.83,292 48.345,293 7.248,294 21.073,295 4.619,296 2.571,297 1.397,298 0.809,299 0.581,300 0.581,301 4.35,306 1,307 1361,308 3.317,312 678.363,319 2.71,320 24.81,323 1,324 0.83,325 1,326 0.8,327 0.5,328 1,329 1,330 0.88,331 78.5,332 619,333 4.315,334 3.573,335 6.185,336 3.93,337 2.959,338 3.96,339 1.058,340 9.244,341 2.89,342 4.24,343 3.072,344 6.115,345 3.858,346 2.876,347 3.87,348 0.916,349 8.969,350 2.818,351 4.165,352 3.043,353 6.033,354 3.787,355 2.798,356 3.759,357 0.8,358 8.628,359 2.765,360 3.82,361 2.87,362 5.588,363 3.604,364 2.658,365 3.263,366 0.4,367 7.698,368 2.52,369 3.74,370 2.687,371 5.313,372 3.344,373 2.392,374 3.117,375 0.172,376 6.87,377 2.27,378 3.544,379 2.462,380 5.204,381 3.267,382 2.32,383 2.784,385 6.483,386 2.183,387 3.434,388 2.335,389 5.127,390 3.087,391 2.123,392 2.551,394 6.246,395 2.046,396 3.203,397 2.27,398 4.806,399 2.861,400 1.928,401 2.486,403 5.438,404 1.786,405 3.033,406 1.869,407 4.413,408 2.731,409 1.773,410 2.052,412 4.415,413 1.697,414 2.857,415 1.829,416 4.15,417 2.412,418 1.441,419 2,421 3.703,422 1.398,423 2.744,424 1.543,425 4.047,426 2.282,427 1.265,428 1.806,430 3.364,431 1.276,432 2.709,433 1.262,434 3.541,435 2.207,436 1.238,437 1.75,439 2.792,440 1.197,441 2.5,442 1.146,443 3.429,444 2,445 1,446 1.5,448 2.387,449 1,450 2.5,451 1,452 3.414,453 1.967,454 1,455 1.5,457 2.275,458 0.965,459 2.5,460 1,461 3.414,462 1.961,463 1,464 1.5,466 2.275,467 0.958,468 17.633,469 0.477,470 0.814,471 0.022,472 51.25,473 1.385,474 26.5,475 0.716,476 24.75,477 0.669,478 29.967,479 0.81,480 38.767,481 0.57,482 41.044,483 1.109,484 10.312,485 0.279,486 7.718,487 0.209,488 0.076,490 0.301,496 0.848,497 1.433,498 0.808,499 1.104,500 0.626,501 0.972,502 0.991,503 0.994,504 0.919,505 0.878,506 0.591,507 0.877,508 1.061,509 1.208,510 1.096,511 1.165,512 0.867,513 1.137,514 0.973,515 1.042,516 0.968,517 1.04,518 0.971,519 1.011,520 1.198,521 0.876,522 0.825,523 0.754,524 1.213,525 0.747,526 0.988,527 0.96,528 1.076,529 1.036,530 1.053,531 1.059,532 0.958,533 0.93,534 0.951,535 0.966,536 1.182,537 0.964,538 1.025,539 1.05,540 0.997,541 1.062,542 1.329,543 1.041,544 7.5,545 0.206,546 3.556,547 1.875,548 1.791,549 0.938,550 0.726,551 0.668,552 0.358,553 0.262,554 25355,555 58418,556 2.133,557 45.6,558 3,559 23,561 3,562 2,567 1.776,568 2.037,569 4.006,570 0.135,577 99.834,578 1.468,579 3.516,580 4.69,581 5.278,582 5.506,583 5.506,584 3.506,585 4.703,586 5.178,587 4.179,588 2783.16,589 9.086,590 48375,595 413.947,596 1.241,597 5.159,598 0.183,599 0.006,600 0.063,601 0.033,602 0.037,603 0.018,604 0.015,605 0.015,606 0.008,607 0.007,608 0.385,609 0.33,610 0.75,611 0.435,612 208.703,613 -0.022,614 -0.243,615 0.063,616 -0.075,617 -0.021,618 -0.009,619 0.046,620 0.146,621 0.024,622 0.089,623 0.102,624 0.061,625 -0.097,626 -0.145,627 -0.151,628 -0.173,629 -0.002,630 -0.168,631 0.021,632 -0.089,633 0.03,634 -0.055,635 0.075,636 -0.019,637 -0.065,638 0.072,639 0.198,640 0.214,641 0.019,642 0.235,643 0.047,644 0.098,645 -0.115,646 -0.056,647 -0.036,648 -0.097,649 0.03,650 0.03,651 0.033,652 0.04,653 -0.028,654 0.037,655 0.066,656 -0.067,657 -0.022,658 -0.052,659 0.048,660 -0.049,661 1.809,662 5.93,663 0.811,664 52.079,665 0.995,666 1.128,667 2.907,668 8.452,669 0.671,670 3.738,671 4.043,672 4.277,673 4.5,674 4.754,675 4.736,676 4.868,677 4.997,678 5.069,679 5.165,680 9.44,681 0.635,682 493.67,683 3.738,684 5.273,685 6.107,686 6.965,687 7.812,688 8.671,689 9.522,690 10.381,691 11.235,692 12.095,693 10.3,696 2,700 1,701 1,703 3,709 13,710 3,714 8,716 24,723 1,728 1,735 68,737 25,738 2,739 41,741 72,742 29,743 21,744 5,745 7,746 1,748 5,749 5,754 1,762 22,763 7,767 1,772 1,776 1,783 31,784 8,785 2,786 8,792 7,797 1,798 1,809 1,810 1,816 5,839 2,843 5,847 2,851 37,858 5,860 2,864 2,874 1.5,877 1,881 18.167,882 12.75,883 8.083,884 3.987,886 4.413,887 1.525,888 1.005,889 7.739,890 12.824,891 4.007,892 4.575,893 5.103,894 5.635,895 6.188,896 6.321,897 6.701,898 7.07,899 7.413,900 7.753,901 1,902 56,903 13.659,905 5.724,906 7.595,907 26.45,909 21.544,911 2.095,912 77.5,916 341.362,917 177.271,918 92.627,920 25.145,923 177.271,924 366.507,925 92.627,926 17.222,927 28.539,928 94.762,929 115.519,930 72.414,931 1.899,932 306.049,934 341.362,935 269.898,936 25.145,939 341.362,940 25.145,943 93.422,944 126.119,945 50.357,947 341.362,948 117.772,949 177.271,952 341.362,953 38.145,954 145.375,955 36.022,956 75.502,957 341.362,958 117.772,959 177.271,961 0.579,962 0.33,963 0.172,964 0.1,965 26,966 11,967 0.097,968 7,970 1,971 4.937,972 345.14,974 30,975 184.75,981 24.883,982 11.508,983 6.507,985 117.772,986 24.532,987 13.135,991 6.558,993 36.022,994 636.405,995 54,1000 12.93,1004 -0.143,1007 67.643,1008 76.68,1009 0.241,1010 0.578,1011 0.771,1012 0.867,1013 0.905,1014 0.905,1015 5.231,1016 1.928,1017 6.071,1018 6.246,1019 4.727,1020 5.263,1021 1.796,1022 6.821,1023 4.656,1024 6.413,1025 1.773,1026 7.59,1027 5.438,1028 4.205,1029 4.89,1030 0.57,1031 7.554,1032 4.108,1033 7.694,1034 1.441,1035 9.202,1036 4.415,1037 6.271,1038 7.375,1039 1.605,1040 10.61,1041 6.137,1042 9.003,1043 1.265,1044 10.868,1045 3.703,1046 6.538,1047 7.786,1048 0.581,1049 12.137,1050 6.39,1051 10.342,1052 1.238,1053 12.568,1054 3.364,1055 8.057,1056 9.747,1057 1.567,1058 14.679,1059 7.872,1060 11.701,1061 1,1062 14.29,1063 2.792,1064 8.703,1065 10.551,1066 0.515,1067 16.554,1068 8.511,1069 13.075,1070 1,1071 16.03,1072 2.387,1073 9.976,1074 12.256,1075 1.582,1076 18.895,1077 9.751,1078 2.959,1079 1,1080 17.781,1081 2.275,1082 10.818,1083 13.281,1084 0.441,1085 20.936,1086 10.586,1087 2.876,1088 9.244,1089 19.542,1090 2.275,1091 11.974,1092 14.844,1093 1.624,1094 23.192,1095 11.714,1096 2.798,1097 8.969,1098 21.311,1099 3.96,1100 12.919,1101 16,1102 0.373,1103 25.314,1104 12.648,1105 2.658,1106 8.628,1107 23.086,1108 3.87,1109 14.02,1110 17.479,1111 1.682,1112 27.535,1113 13.725,1114 2.392,1115 7.698,1116 24.865,1117 3.759,1118 15.019,1119 18.715,1120 0.314,1121 29.696,1122 14.711,1123 2.32,1124 6.87,1125 26.65,1126 3.263,1127 16.094,1128 20.144,1129 1.752,1130 31.904,1131 15.765,1132 2.123,1133 6.483,1134 28.437,1135 3.117,1136 17.122,1137 21.429,1138 0.264,1139 34.085,1140 16.777,1141 23469,1142 35900,1143 28.027,1144 45.631,1145 61.129,1146 61.824,1147 61.655,1148 60.676,1149 60.636,1150 79.069,1151 6.694,1152 168.484,1153 58.468,1154 5.315,1155 5.573,1156 5.987,1157 5.001,1158 4.959,1159 6.96,1160 2.117,1161 15.558,1162 4.89,1163 14.663,1164 1.491,1165 1.508,1166 1.504,1167 1.48,1168 1.479,1169 1.929,1170 0.163,1171 4.109,1172 1.426,1173 4.028,1174 4.068,1175 3.978,1176 3.932,1177 7.429,1178 3.936,1179 3.942,1180 3.983,1181 3.891,1182 3.852,1183 5.049,1184 3.855,1185 3.893,1186 3.932,1187 3.833,1188 3.814,1189 4.842,1190 3.816,1191 3.794,1192 3.855,1193 3.684,1194 3.604,1195 4.74,1196 3.614,1197 3.667,1198 3.724,1199 3.611,1200 3.505,1201 4.684,1202 3.524,1203 3.412,1204 3.467,1205 3.335,1206 3.214,1207 4.378,1208 3.235,1209 3.242,1210 3.335,1211 3.084,1212 3.036,1213 4.052,1214 3.031,1215 3.111,1216 3.206,1217 2.962,1218 2.941,1219 3.963,1220 2.91,1221 0.105,1222 0.087,1223 0.151,1224 0.096,1225 0.072,1226 4.315,1227 0.097,1228 3.573,1229 0.026,1230 6.185,1231 0.225,1232 3.93,1233 0.07,1234 2.959,1235 3.96,1236 1.058,1237 9.244,1238 2.89,1239 1.957,1240 1.929,1241 2.065,1242 2.075,1243 1.323,1244 2.073,1245 1.918,1246 1.886,1247 2.028,1248 2.05,1249 1.16,1250 2.045,1251 1.877,1252 1.846,1253 1.979,1254 1.995,1255 1.125,1256 1.994,1257 1.752,1258 1.681,1259 1.95,1260 1.936,1261 1.027,1262 1.946,1263 1.608,1264 1.556,1265 1.728,1266 1.794,1267 0.825,1268 1.779,1269 1.344,1270 1.291,1271 1.591,1272 1.588,1273 0.735,1274 1.587,1275 1.223,1276 1.136,1277 1.546,1278 1.48,1279 0.691,1280 1.503,1281 1.153,1282 1.064,1283 1.513,1284 1.376,1285 0.619,1286 1.429,1287 4.419,1289 5.727,1291 7.225,1293 8.801,1295 10.416,1297 4.158,1303 5.237,1305 6.294,1309 4.8,1314 43.186,1315 99.834,1316 239.113,1317 318.954,1318 358.928,1319 374.438,1320 374.438,1321 55.749,1322 8.411,1323 86.28,1324 86.28,1325 30,1326 12.647,1327 4.7,1328 3.807,1329 57.104,1330 209,1331 228,1332 0.128,1333 265.482,1334 456.33,1335 639.535,1336 68589,1338 25.614,1339 0.692,1340 0.573,1341 25.614,1342 21.185,1343 18.03,1344 0.44,1345 0.304,1346 12.293,1347 17.418,1348 11.937,1349 9.945,1350 18.03,1351 12.457,1352 16.198,1353 0.289,1354 0.168,1355 16.198,1356 9.392,1357 13.45,1358 0.189,1359 0.093,1360 13.45,1361 6.573,1362 10.811,1363 0.121,1364 0.048,1365 10.811,1366 4.278,1367 9.213,1368 0.08,1369 0.027,1370 9.213,1371 3.137,1372 0.21,1373 112.246,1374 0.189,1375 34.613,1376 0.329,1377 194,1378 510.627,1379 209.481,1380 506.189,1381 701.38,1382 476,1383 224,1384 521.411,1385 240.37,1386 535.987,1387 775.58,1388 502,1389 5.1}
{0 CHEMBL95692,1 1.638,2 8.615,3 2.615,4 6.836,5 96.762,6 7.683,7 0.586,8 3.948,9 4.072,10 3.549,11 3.452,12 5.063,13 3.454,14 4.495,15 4.677,16 3.897,17 3.841,18 5.587,19 3.82,20 4.714,21 4.941,22 3.932,23 3.973,24 5.712,25 3.918,26 4.756,27 4.99,28 3.933,29 3.99,30 5.745,31 3.933,32 4.739,33 4.956,34 3.971,35 4.041,36 5.715,37 3.979,38 4.774,39 4.984,40 3.989,41 4.043,42 5.836,43 3.98,44 4.798,45 5.022,46 3.89,47 4.014,48 5.811,49 3.929,50 4.823,51 5.072,52 3.672,53 3.883,54 5.817,55 3.766,56 0.048,57 0.788,58 8.968,59 3.918,60 6.922,61 5.096,62 0.36,63 1.245,64 18.097,65 6.392,66 28.375,67 8.601,68 0.328,69 1.48,70 24.214,71 8.39,72 35.885,73 11.685,74 0.426,75 1.484,76 25.632,77 8.215,78 40.345,79 11.673,80 0.345,81 1.471,82 23.96,83 8.414,84 27.05,85 12.052,86 0.412,87 1.538,88 24.678,89 8.698,90 40.836,91 12.268,92 0.391,93 1.52,94 26.325,95 9.486,96 36.605,97 13.104,98 0.502,99 1.42,100 29.102,101 9.551,102 58.093,103 13.248,104 6,105 40,106 0.28,107 0.629,108 0.795,109 0.823,110 0.823,111 0.823,112 3.306,113 0.897,114 -4.43,115 -4.36,116 -4.11,119 41.3,121 2,124 1,125 2,127 1,142 5,143 1,144 1,145 1,146 2,150 1,152 1,160 1,172 4,174 4,175 5,180 2,183 5,187 1,188 4,196 2,199 1,200 9,203 1,208 1,212 2,213 6,221 6,224 2,225 4,228 1,233 6,238 8,241 1,243 2,246 4,250 4,255 2,267 2,269 2,276 1120,277 18.077,278 18.077,279 18.077,280 18.077,281 18.077,282 16.105,283 18.59,284 10.774,285 18.673,286 14.28,287 14.28,288 14.28,289 14.28,290 14.28,291 11.275,292 22.813,293 5.052,294 15.192,295 3.886,296 1.849,297 0.877,298 0.712,299 0.712,300 0.712,301 4.005,304 1,305 1,306 1,307 486,308 2.236,311 68.615,312 236.722,319 1.26,320 24.718,322 1,323 1,324 1,325 1,326 0.8,327 0.5,328 1,329 1,330 0.9,331 57,332 224,333 4.623,334 3.333,335 6.988,336 4.239,337 3.285,338 4.34,339 0.86,340 11.923,341 3.138,342 4.055,343 2.921,344 6.076,345 3.663,346 2.692,347 3.662,348 0.4,349 8.743,350 2.609,351 3.936,352 2.854,353 5.751,354 3.55,355 2.625,356 3.462,358 7.884,359 2.448,360 3.62,361 2.66,362 5.273,363 3.275,364 2.341,365 2.892,367 6.56,368 2.166,369 3.374,370 2.3,371 5.02,372 3.012,373 2.082,374 2.607,376 5.945,377 1.916,378 3.073,379 1.98,380 4.654,381 2.718,382 1.787,383 2.219,385 4.747,386 1.654,387 2.701,388 1.619,389 4.227,390 2.358,391 1.421,392 1.788,394 3.547,395 1.326,396 2.655,397 1.306,398 3.762,399 2.167,400 1.234,401 1.69,403 2.738,404 1.148,405 2.5,406 1.077,407 3.489,408 2,409 1,410 1.5,412 2.465,413 1,414 2.303,415 1.04,416 3.47,417 1.984,418 1,419 1.213,421 2.275,422 0.983,423 2.139,424 1,425 3.414,426 1.873,427 0.934,428 1.084,430 2.136,431 0.874,432 2,433 0.937,434 3.247,435 1.72,436 0.802,437 1,439 2.12,440 0.735,441 1.583,442 0.799,443 2.753,444 1.271,445 0.427,446 0.48,448 0.621,449 0.358,450 1.158,451 0.336,452 2.664,453 0.786,454 -0.137,455 -0.167,457 -0.314,458 -0.123,459 0.81,460 -0.326,461 2.326,462 0.425,463 -0.504,464 -0.596,466 -1.201,467 -0.463,468 12.119,469 0.466,470 0.5,471 0.019,472 34.5,473 1.327,474 16.5,475 0.635,476 18,477 0.692,478 20.379,479 0.784,480 28.081,481 0.61,482 25.136,483 0.967,484 6.824,485 0.262,486 5.934,487 0.228,488 0.065,490 0.322,494 1,496 0.74,497 1.315,498 0.724,499 1.166,500 0.558,501 0.981,502 0.874,503 0.977,504 0.877,505 0.903,506 0.6,507 0.892,508 0.863,509 1.039,510 0.879,511 0.963,512 0.796,513 0.924,514 0.908,515 0.877,516 0.948,517 0.858,518 0.775,519 0.886,520 0.637,521 0.899,522 0.903,523 0.967,524 0.47,525 0.976,526 0.678,527 0.941,528 0.993,529 1.111,530 0.569,531 1.11,532 0.814,533 0.971,534 1.034,535 1.158,536 0.716,537 1.147,538 1.093,539 1.006,540 1.167,541 1.182,542 0.912,543 1.2,544 4,545 0.078,546 2.667,547 1.465,548 1.506,549 0.924,550 0.473,551 0.398,552 0.229,553 0.164,554 7238,555 20321,556 2.148,557 43.5,559 13,561 2,562 1,565 4,567 1.701,568 2.053,569 3.095,570 -0.294,571 1,572 1,577 75.325,578 1.638,579 3.675,580 4.646,581 4.811,582 4.811,583 4.811,584 2.505,585 4.316,586 4.668,587 3.238,588 1052.23,589 8.146,590 12822.4,592 1,594 1,595 254.084,596 1.239,597 4.65,598 0.138,599 0.011,600 0.067,601 0.036,602 0.037,603 0.021,604 0.011,605 0.011,606 0.008,607 0.01,608 0.35,609 0.17,610 1,611 0.646,612 124.12,613 -0.041,614 -0.242,615 0.064,616 -0.119,617 -0.005,618 -0.025,619 0.025,620 0.027,621 0.014,622 0.07,623 0.069,624 0.04,625 -0.051,626 -0.048,627 0.054,628 0.026,629 0.026,630 0.059,631 -0.094,632 0.072,633 -0.007,634 0.093,635 -0.055,636 0.073,637 -0.012,638 -0.01,639 -0.016,640 0.007,641 -0.027,642 -0.001,643 0.057,644 -0.009,645 -0.096,646 -0.14,647 0.027,648 -0.149,650 -0.061,651 -0.104,652 -0.162,653 -0.01,654 -0.157,655 -0.074,656 -0.139,657 -0.166,658 -0.207,659 -0.037,660 -0.21,661 1.934,662 5.351,663 0.885,664 21.166,665 1.009,666 1.138,667 3.196,668 10.214,669 0.663,670 3.401,671 3.714,672 4.025,673 4.331,674 4.595,675 4.7,676 4.868,677 5.004,678 5.081,679 5.069,680 5.429,681 0.64,682 353.44,683 3.401,684 4.934,685 5.796,686 6.681,687 7.567,688 8.464,689 9.362,690 10.267,691 11.171,692 12.08,693 10.9,695 1,701 1,703 3,709 7,710 3,714 6,715 1,716 17,733 1,734 1,735 46,737 17,738 1,739 29,741 49,742 19,743 13,744 2,745 4,748 4,749 4,757 3,760 3,762 13,763 6,779 1,780 1,781 1,783 20,784 6,785 1,786 7,789 1,792 5,797 1,798 1,810 1,815 1,816 3,838 1,843 4,847 1,849 1,851 26,858 4,860 1,861 1,863 1,873 1,874 2.2,879 1,881 12.667,882 8.526,883 5.806,884 2.782,886 2.887,887 1.394,888 0.998,889 4.85,890 10.218,891 3.651,892 4.238,893 4.851,894 5.467,895 6.001,896 6.339,897 6.772,898 7.191,899 7.544,900 7.779,901 0.833,902 41,903 9.601,905 4.084,906 7.744,907 18.396,909 15.15,911 2.244,912 58.333,915 1,916 223.651,917 110.173,918 70.266,920 11,921 14.96,923 110.173,924 234.651,925 85.227,926 10.883,927 9.28,928 65.392,929 82.517,930 39.766,931 22.103,932 200.109,934 223.651,935 180.44,936 25.96,939 191.527,940 58.084,943 56.756,944 73.328,945 50.357,947 238.611,948 81.266,949 110.173,952 223.651,953 34.243,954 77.829,955 18.011,956 76.317,957 223.651,958 96.226,959 110.173,961 0.572,962 0.341,963 0.192,964 0.112,965 20,966 8,967 0.082,968 4,970 1,971 3.732,972 230.118,974 23,975 114.211,981 16.984,982 7.424,983 3.454,985 94.327,986 11.767,987 13.252,991 3.328,992 2.182,993 18.011,994 430.051,995 37.5,1007 46.418,1008 52.362,1009 0.296,1010 0.665,1011 0.841,1012 0.871,1013 0.871,1014 0.871,1015 4.877,1016 1.234,1017 5.765,1018 3.547,1019 4.394,1020 4.924,1021 1.029,1022 6.589,1023 4.281,1024 6.065,1025 1,1026 7.323,1027 2.738,1028 3.892,1029 4.62,1031 7.538,1032 3.715,1033 7.363,1034 1,1035 8.987,1036 2.465,1037 5.984,1038 7.098,1039 0.763,1040 10.69,1041 5.774,1042 8.701,1043 0.934,1044 10.718,1045 2.275,1046 6.365,1047 7.68,1049 12.55,1050 6.097,1051 10.077,1052 0.802,1053 12.494,1054 2.136,1055 7.884,1056 9.582,1057 0.597,1058 15.228,1059 7.588,1060 11.48,1061 0.427,1062 14.303,1063 2.12,1064 8.679,1065 10.585,1067 17.457,1068 8.331,1069 12.904,1070 -0.137,1071 16.137,1072 0.621,1073 9.973,1074 12.24,1075 0.47,1076 19.992,1077 9.592,1078 3.285,1079 -0.504,1080 17.989,1081 -0.314,1082 10.969,1083 13.46,1085 22.37,1086 10.54,1087 2.692,1088 11.923,1089 19.858,1090 -1.201,1091 12.177,1092 15.002,1093 0.367,1094 24.861,1095 11.712,1096 2.625,1097 8.743,1098 21.738,1099 4.34,1100 13.27,1101 16.336,1103 27.298,1104 12.758,1105 2.341,1106 7.884,1107 23.629,1108 3.662,1109 14.451,1110 17.828,1111 0.283,1112 29.778,1113 13.899,1114 2.082,1115 6.56,1116 25.528,1117 3.462,1118 15.589,1119 19.222,1121 32.239,1122 14.991,1123 1.787,1124 5.945,1125 27.434,1126 2.892,1127 16.764,1128 20.693,1129 0.217,1130 34.716,1131 16.124,1132 1.421,1133 4.747,1134 29.347,1135 2.607,1136 17.926,1137 22.119,1139 37.187,1140 17.24,1141 6926,1142 11745,1143 19.879,1144 30.512,1145 43.502,1146 44.044,1147 44.536,1148 43.274,1149 43.259,1150 55.875,1151 2.52,1152 123.405,1153 40.709,1154 5.623,1155 5.333,1156 6.79,1157 5.312,1158 5.285,1159 7.34,1160 1.72,1161 19.298,1162 5.138,1163 9.455,1164 1.5,1165 1.519,1166 1.536,1167 1.492,1168 1.492,1169 1.927,1170 0.087,1171 4.255,1172 1.404,1173 4.085,1174 4.13,1175 4.051,1176 3.958,1177 8.201,1178 3.973,1179 3.849,1180 3.89,1181 3.792,1182 3.741,1183 5.096,1184 3.747,1185 3.786,1186 3.84,1187 3.707,1188 3.618,1189 4.886,1190 3.629,1191 3.592,1192 3.658,1193 3.512,1194 3.38,1195 4.546,1196 3.409,1197 3.238,1198 3.306,1199 3.056,1200 2.958,1201 4.388,1202 2.968,1203 3.111,1204 3.206,1205 2.909,1206 2.941,1207 4.34,1208 2.91,1209 3.005,1210 3.09,1211 2.866,1212 2.793,1213 3.914,1214 2.807,1215 2.854,1216 2.925,1217 2.687,1218 2.735,1219 3.674,1220 2.715,1221 0.159,1222 0.115,1223 0.241,1224 0.146,1225 0.113,1226 4.623,1227 0.15,1228 3.333,1229 0.03,1230 6.988,1231 0.411,1232 4.239,1233 0.108,1234 3.285,1235 4.34,1236 0.86,1237 11.923,1238 3.138,1239 1.923,1240 1.896,1241 2.05,1242 2.061,1243 1.403,1244 2.059,1245 1.844,1246 1.791,1247 1.992,1248 1.985,1249 1.098,1250 1.988,1251 1.728,1252 1.682,1253 1.83,1254 1.916,1255 0.872,1256 1.894,1257 1.309,1258 1.244,1259 1.577,1260 1.6,1261 0.825,1262 1.579,1263 1.24,1264 1.183,1265 1.513,1266 1.51,1267 0.63,1268 1.517,1269 1.165,1270 1.094,1271 1.471,1272 1.385,1273 0.572,1274 1.429,1275 1.153,1276 1.064,1277 1.297,1278 1.376,1279 0.362,1280 1.363,1281 0.886,1282 0.821,1283 1.181,1284 1.11,1285 0.252,1286 1.131,1287 4.078,1289 5.389,1290 2.398,1291 6.909,1292 4.727,1293 8.519,1294 6.862,1295 10.179,1297 1.546,1299 13.351,1303 3.991,1305 3.386,1306 5.188,1308 0.342,1314 29.42,1315 75.325,1316 169.048,1317 213.719,1318 221.329,1319 221.329,1320 221.329,1321 37.642,1322 7.332,1323 64.86,1324 64.86,1325 23,1326 12.597,1327 4.17,1328 3.248,1329 37.568,1330 78,1331 97,1332 0.224,1333 179.198,1334 303.86,1335 429.003,1336 13117,1337 2.2,1338 17.933,1339 0.69,1340 0.559,1341 17.062,1342 14.522,1343 12.758,1344 0.44,1345 0.299,1346 8.507,1347 12.128,1348 8.354,1349 6.906,1350 12.365,1351 8.669,1352 11.101,1353 0.278,1354 0.157,1355 10.48,1356 6.266,1357 9.689,1358 0.176,1359 0.085,1360 9.278,1361 4.672,1362 8.216,1363 0.11,1364 0.045,1365 8.064,1366 3.366,1367 6.921,1368 0.071,1369 0.024,1370 6.691,1371 2.384,1372 0.336,1373 80.885,1374 0.224,1375 24.488,1376 0.667,1377 138,1378 452.76,1379 154.672,1380 409.752,1381 561.34,1382 386,1383 164,1384 415.273,1385 180.448,1386 414.186,1387 608.88,1388 389,1389 5.1}